A0A087XMT1_POEFO Loading...

Hypoxanthine phosphoribosyltransferase

AlphaFold DB , UniProt , Accession A0A087XMT1, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 234 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	C	33.2	Very low	34.1	Very low	182 Å²	182	148.9 Å²	148.9	100%	1.23	82%	0.816	S	S	*	*				0	96.4	0	-75.2	0	0	0	0	109.1
2	I	31.5	Very low	33.8	Very low	156 Å²	156	145.1 Å²	145.1	80%	0.8	81%	0.808	S	S	*	*			trans	-117.4	117.4	164.5	-70	174.7	0	0	0	106	L4	I2-L4 PolarHBondContact O-N 3.39Å
3	F	32.7	Very low	33.7	Very low	185 Å²	185	142.3 Å²	142.3	81%	0.811	80%	0.8	S	S	*	*			trans	-68	113.3	170.8	-104.6	-107.6	0	0	0	108.3	L5	F3-L5 PolarHBondContact O-N 2.69Å
4	L	33.6	Very low	33.9	Very low	147 Å²	147	139.1 Å²	139.1	77%	0.77	79%	0.786	S	S	*	*			trans	-77.2	94.9	159	-87.5	158.7	0	0	0	107.8	I2 T6	I2-L4 PolarHBondContact O-N 3.39Å; L4-T6 PolarHBondContact O-N 3.05Å; L4-T6 VanDerWaalsContact O-N 3.1Å
5	L	36.2	Very low	33.8	Very low	146 Å²	146	141.4 Å²	141.4	76%	0.764	79%	0.787	S	S	*	*			trans	-76.6	78.7	162.2	-92.4	163.2	0	0	0	108.7	F3	F3-L5 PolarHBondContact O-N 2.69Å
6	T	32.3	Very low	33.8	Very low	116 Å²	116	142.2 Å²	142.2	71%	0.712	78%	0.78	S	S	*	*			trans	-101.6	97.7	152.9	48	0	0	0	0	107.1	L4 S8	L4-T6 PolarHBondContact O-N 3.05Å; L4-T6 VanDerWaalsContact O-N 3.1Å; T6-S8 PolarHBondContact O-N 3.14Å
7	K	31	Very low	33.3	Very low	199 Å²	199	144.7 Å²	144.7	87%	0.865	79%	0.787	S	S	*	*			trans	-57.9	109.6	162.1	-93.6	-177.1	173.5	179.3	0	107.3	L9	K7-L9 PolarHBondContact O-N 3.18Å
8	S	32.9	Very low	33.2	Very low	86 Å²	86	146.6 Å²	146.6	60%	0.601	79%	0.787	S	S	*	*			trans	-54.1	117.9	162.8	172.8	0	0	0	0	109	T6 G11	T6-S8 PolarHBondContact O-N 3.14Å; S8-G11 PolarHBondContact OG-N 2.9Å
9	L	38.2	Very low	33	Very low	169 Å²	169	143.8 Å²	143.8	89%	0.885	78%	0.78	S	S	*	*	S	Bend	trans	-95.3	109.8	144.1	-79.6	165.5	0	0	0	105.4	K7	K7-L9 PolarHBondContact O-N 3.18Å
10	Q	36	Very low	33.3	Very low	188 Å²	188	145.2 Å²	145.2	88%	0.879	79%	0.786	S	S	*	*	S	Bend	trans	78.8	88.2	173.3	-60.5	177.3	-18.7	0	0	117.3
11	G	37.9	Very low	34	Very low	64 Å²	64	142.2 Å²	142.2	66%	0.66	78%	0.775	S	S	*	*				73.9	74.8	117.3	0	0	0	0	0	119.1	S8	S8-G11 PolarHBondContact OG-N 2.9Å
12	S	30.2	Very low	35.1	Very low	103 Å²	103	135.5 Å²	135.5	72%	0.72	73%	0.73	S	S	*	*			trans	178.5	129.3	133.1	31	0	0	0	0	110.1	V14	S12-V14 PolarHBondContact O-N 3.05Å
13	P	32.7	Very low	37.1	Very low	109 Å²	109	131.3 Å²	131.3	71%	0.708	71%	0.709	S	S	*	*			trans	-78.1	114.1	178.9	29.2	-29.8	0	0	0	109.9	H15	P13-H15 PolarHBondContact O-N 3.18Å; P13-H15 VanDerWaalsContact O-N 3.1Å
14	V	36.2	Very low	39.7	Very low	98 Å²	98	125 Å²	125	59%	0.594	69%	0.686	S	S	*	*			trans	-74.7	96.7	166.9	-152	0	0	0	0	107	S12 F16	S12-V14 PolarHBondContact O-N 3.05Å; V14-F16 HydrophobicContact CB-CE2 4.01Å; V14-F16 HydrophobicContact CG1-CE2 4.04Å; V14-F16 HydrophobicContact CG1-CZ 4.22Å; V14-F16 WeakPolarHBondContact O-CD2 3.1Å; V14-F16 PolarHBondContact O-N 3.47Å
15	H	32.2	Very low	42.5	Very low	173 Å²	173	123.8 Å²	123.8	80%	0.801	68%	0.676	S	S	*	*			trans	-70.4	107	175.8	-93.4	-74.2	0	0	0	109.9	P13	P13-H15 PolarHBondContact O-N 3.18Å; P13-H15 VanDerWaalsContact O-N 3.1Å
16	F	33.3	Very low	45.2	Very low	154 Å²	154	117.9 Å²	117.9	68%	0.675	65%	0.645	S	S	*	*			trans	-88.4	110.5	167	-70.7	-83.7	0	0	0	109	V14 F18	V14-F16 HydrophobicContact CB-CE2 4.01Å; V14-F16 HydrophobicContact CG1-CE2 4.04Å; V14-F16 HydrophobicContact CG1-CZ 4.22Å; V14-F16 WeakPolarHBondContact O-CD2 3.1Å; V14-F16 PolarHBondContact O-N 3.47Å; F16-F18 HydrophobicContact CB-CE2 4.18Å
17	M	26.8	Very low	48.1	Very low	185 Å²	185	118.7 Å²	118.7	91%	0.911	64%	0.638	S	S	*	*			trans	-89	116	174.3	-163.5	162.9	71	0	0	108.6
18	F	30.4	Very low	51	Low	178 Å²	178	114.4 Å²	114.4	78%	0.781	63%	0.625	S	S	*	*			trans	-87.3	116.6	-176.3	-76.4	-91.5	0	0	0	111.4	F16 C22	F16-F18 HydrophobicContact CB-CE2 4.18Å; F18-C22 VanDerWaalsContact CD1-SG 3.54Å
19	S	30	Very low	53.8	Low	94 Å²	94	116.5 Å²	116.5	66%	0.657	63%	0.63	S	S	*	*			trans	-124.2	151.7	160.6	-173	0	0	0	0	108.9	C21 C22	S19-C21 PolarHBondContact O-N 3.13Å; S19-C22 PolarHBondContact O-N 3.47Å; S19-C22 PolarHBondContact O-SG 3.47Å
20	L	39.1	Very low	56.5	Low	172 Å²	172	112.3 Å²	112.3	90%	0.901	60%	0.602	S	S	*	*	S	Bend	trans	-45.9	128.6	-178.7	-86	80.5	0	0	0	110.3
21	C	47.6	Very low	59.3	Low	82 Å²	82	107.9 Å²	107.9	55%	0.554	59%	0.589	S	S	*	*	S	Bend	trans	74	54.3	-173.1	-149.7	0	0	0	0	114.7	S19 L23	S19-C21 PolarHBondContact O-N 3.13Å; C21-L23 VanDerWaalsContact C-N 3.29Å; C21-L23 PolarHBondContact O-N 3.45Å
22	C	56.7	Low	62.1	Low	42 Å²	42	105.3 Å²	105.3	28%	0.284	56%	0.563	S	S	.	*			trans	-61.4	89.3	176.8	-72.6	0	0	0	0	111.6	F18 S19 R61	F18-C22 VanDerWaalsContact CD1-SG 3.54Å; S19-C22 PolarHBondContact O-N 3.47Å; S19-C22 PolarHBondContact O-SG 3.47Å; C22-R61 VanDerWaalsContact O-CZ 3.31Å; C22-R61 PolarHBondContact O-NH1 2.94Å; C22-R61 PolarHBondContact O-NH2 3.1Å
23	L	72.4	Confident	65.3	Low	68 Å²	68	104.9 Å²	104.9	36%	0.356	55%	0.546	S	S	.	.			trans	-50.9	132.4	158.9	178.6	65.5	0	0	0	109.3	C21 Q25 V195 E198	C21-L23 VanDerWaalsContact C-N 3.29Å; C21-L23 PolarHBondContact O-N 3.45Å; L23-Q25 PolarHBondContact O-N 3.04Å; L23-V195 HydrophobicContact CD1-CB 3.4Å; L23-V195 HydrophobicContact CD1-CG1 3.18Å; L23-V195 HydrophobicContact CD1-CG2 4.27Å; L23-E198 HydrophobicContact CD1-CB 3.94Å; L23-E198 HydrophobicContact CD2-CB 3.81Å; L23-E198 HydrophobicContact CD2-CG 4.36Å; L23-E198 HydrophobicContact CG-CB 3.94Å
24	V	87.8	Confident	68.3	Low	53 Å²	53	103.9 Å²	103.9	32%	0.321	54%	0.535	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	98.3	171.9	-176.6	0	0	0	0	108	F197 E198	V24-F197 HydrophobicContact CB-CD1 3.68Å; V24-F197 HydrophobicContact CB-CE1 4.08Å; V24-F197 HydrophobicContact CG1-CD1 3.63Å; V24-F197 HydrophobicContact CG1-CE1 3.91Å; V24-F197 HydrophobicContact CG2-CD1 4.44Å; V24-F197 HydrophobicContact CG2-CE1 4.39Å; V24-F197 WeakPolarHBondContact O-CA 3.27Å; V24-E198 PolarHBondContact O-N 2.92Å
25	Q	92.6	Very high	71.2	Confident	121 Å²	121	100 Å²	100	57%	0.565	51%	0.511	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-87.3	113	177.8	-174.7	174.5	-2.6	0	0	110.5	L23 E198	L23-Q25 PolarHBondContact O-N 3.04Å; Q25-E198 VanDerWaalsContact CD-OE2 3.27Å; Q25-E198 WeakPolarHBondContact CG-OE2 3.39Å
26	I	93.3	Very high	74.2	Confident	21 Å²	21	97.5 Å²	97.5	11%	0.108	50%	0.504	C	S	.	.			trans	-82.1	125.3	172.4	-58	-170.1	0	0	0	108.4	W30 Y52 I53 R183 F197 E198 I199	I26-W30 HydrophobicContact CG2-CB 3.62Å; I26-W30 HydrophobicContact CG2-CG 3.57Å; I26-Y52 HydrophobicContact CD1-CD1 4.4Å; I26-Y52 HydrophobicContact CD1-CE1 4.06Å; I26-Y52 HydrophobicContact CG2-CE1 4.09Å; I26-Y52 WeakPolarHBondContact CG2-OH 3.24Å; I26-I53 HydrophobicContact CD1-CD1 3.59Å; I26-I53 HydrophobicContact CD1-CG1 3.63Å; I26-R183 PolarHBondContact O-NH1 2.68Å; I26-R183 PolarHBondContact O-NH2 3.39Å; I26-F197 HydrophobicContact CD1-CD1 4.48Å; I26-E198 PolarHBondContact N-O 2.85Å; I26-I199 HydrophobicContact CD1-CG2 3.94Å; I26-I199 HydrophobicContact CG1-CG2 4.39Å
27	K	93	Very high	77.2	Confident	133 Å²	133	96.3 Å²	96.3	58%	0.578	50%	0.504	S	S	*	.			trans	-68.1	156.9	-177.5	-62.1	-176.8	177.5	-179.7	0	112.9	D29 W30 P200	K27-D29 VanDerWaalsContact C-N 3.29Å; K27-D29 WeakPolarHBondContact CB-OD1 3.07Å; K27-D29 PolarHBondContact O-N 3.11Å; K27-W30 WeakPolarHBondContact O-CB 3.32Å; K27-W30 PolarHBondContact O-N 2.96Å; K27-P200 WeakPolarHBondContact O-CG 3.29Å
28	D	91.4	Very high	80.6	Confident	110 Å²	110	90.2 Å²	90.2	59%	0.588	47%	0.472	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.5	-30.6	-179.1	-67.5	-16.2	0	0	0	113.5	W30 R183	D28-W30 VanDerWaalsContact C-N 3.32Å; D28-R183 IonicContact OD1-CZ 3.22Å; D28-R183 IonicContact OD1-NE 2.92Å; D28-R183 IonicContact OD1-NH2 2.75Å; D28-R183 PolarHBondContact OD1-NH2 2.82Å
29	D	92.9	Very high	83.7	Confident	130 Å²	130	87.5 Å²	87.5	70%	0.695	47%	0.47	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.1	3.6	178.2	64.9	-18.7	0	0	0	113.3	K27 P31	K27-D29 VanDerWaalsContact C-N 3.29Å; K27-D29 WeakPolarHBondContact CB-OD1 3.07Å; K27-D29 PolarHBondContact O-N 3.11Å; D29-P31 VanDerWaalsContact O-CD 3.26Å; D29-P31 WeakPolarHBondContact O-CD 3.07Å
30	W	94.9	Very high	86.9	Confident	80 Å²	80	85.2 Å²	85.2	30%	0.303	45%	0.448	S	S	.	.			trans	-62.4	116.1	178.8	175.6	-118.5	0	0	0	110.9	I26 K27 D28 G32 Y33 Y52	I26-W30 HydrophobicContact CG2-CB 3.62Å; I26-W30 HydrophobicContact CG2-CG 3.57Å; K27-W30 WeakPolarHBondContact O-CB 3.32Å; K27-W30 PolarHBondContact O-N 2.96Å; D28-W30 VanDerWaalsContact C-N 3.32Å; W30-G32 VanDerWaalsContact C-N 3.28Å; W30-G32 PolarHBondContact O-N 3.05Å; W30-Y33 HydrophobicContact CH2-CD1 4.42Å; W30-Y33 AromaticContact CH2-CE1 3.87Å; W30-Y33 HydrophobicContact CH2-CE1 3.87Å; W30-Y33 AromaticContact CH2-CE2 3.98Å; W30-Y33 HydrophobicContact CH2-CE2 3.98Å; W30-Y33 AromaticContact CH2-CZ 3.61Å; W30-Y33 AromaticContact CZ2-CD2 3.85Å; W30-Y33 HydrophobicContact CZ2-CD2 3.85Å; W30-Y33 HydrophobicContact CZ2-CE1 4.15Å; W30-Y33 AromaticContact CZ2-CE2 3.44Å; W30-Y33 HydrophobicContact CZ2-CE2 3.44Å; W30-Y33 VanDerWaalsContact CZ2-CE2 3.44Å; W30-Y33 HydrophobicContact CZ2-CG 4.36Å; W30-Y33 AromaticContact CZ2-CZ 3.59Å; W30-Y52 AromaticContact CD1-CD2 3.88Å; W30-Y52 AromaticContact CD1-CE2 3.38Å; W30-Y52 AromaticContact CD1-CZ 3.68Å; W30-Y52 HydrophobicContact CG-CE2 4.39Å; W30-Y52 PolarHBondContact NE1-O 3.32Å
31	P	93.9	Very high	89.6	Confident	95 Å²	95	78.8 Å²	78.8	62%	0.617	42%	0.416	S	S	*	.			trans	-79.5	-9.9	-174.3	31.7	-35.7	0	0	0	113.6	D29 N50	D29-P31 VanDerWaalsContact O-CD 3.26Å; D29-P31 WeakPolarHBondContact O-CD 3.07Å; P31-N50 PolarHBondContact O-ND2 2.95Å
32	G	96	Very high	91.9	Very high	11 Å²	11	83.1 Å²	83.1	11%	0.113	43%	0.428	C	S	.	.			trans	74.3	-175.7	-164.6	0	0	0	0	0	112.1	W30 V51	W30-G32 VanDerWaalsContact C-N 3.28Å; W30-G32 PolarHBondContact O-N 3.05Å; G32-V51 WeakPolarHBondContact CA-O 3.36Å
33	Y	97.4	Very high	93.7	Very high	93 Å²	93	86 Å²	86	37%	0.365	44%	0.437	S	S	.	.	B	Isolated β-bridge	trans	-104.1	148.1	175.7	-57.7	-85.8	0	0	0	111.5	W30 L35 F38 N50 V51 P54	W30-Y33 HydrophobicContact CH2-CD1 4.42Å; W30-Y33 AromaticContact CH2-CE1 3.87Å; W30-Y33 HydrophobicContact CH2-CE1 3.87Å; W30-Y33 AromaticContact CH2-CE2 3.98Å; W30-Y33 HydrophobicContact CH2-CE2 3.98Å; W30-Y33 AromaticContact CH2-CZ 3.61Å; W30-Y33 AromaticContact CZ2-CD2 3.85Å; W30-Y33 HydrophobicContact CZ2-CD2 3.85Å; W30-Y33 HydrophobicContact CZ2-CE1 4.15Å; W30-Y33 AromaticContact CZ2-CE2 3.44Å; W30-Y33 HydrophobicContact CZ2-CE2 3.44Å; W30-Y33 VanDerWaalsContact CZ2-CE2 3.44Å; W30-Y33 HydrophobicContact CZ2-CG 4.36Å; W30-Y33 AromaticContact CZ2-CZ 3.59Å; Y33-L35 PolarHBondContact O-N 3.37Å; Y33-F38 VanDerWaalsContact CB-CE2 3.47Å; Y33-F38 HydrophobicContact CD2-CZ 4.36Å; Y33-F38 AromaticContact CG-CE2 3.98Å; Y33-F38 HydrophobicContact CG-CE2 3.98Å; Y33-F38 HydrophobicContact CG-CZ 4.13Å; Y33-N50 WeakPolarHBondContact O-CB 3.29Å; Y33-V51 PolarHBondContact N-O 3.45Å; Y33-V51 PolarHBondContact O-N 3.03Å; Y33-P54 HydrophobicContact CD2-CG 3.76Å; Y33-P54 HydrophobicContact CE2-CG 3.59Å
34	N	97.1	Very high	94.9	Very high	89 Å²	89	83.2 Å²	83.2	48%	0.476	42%	0.422	S	S	.	.			trans	-61	133.3	172.7	-174.7	-10	0	0	0	110.2	D36 L37 F38	N34-D36 PolarHBondContact ND2-OD2 2.85Å; N34-D36 VanDerWaalsContact ND2-OD2 3.15Å; N34-D36 PolarHBondContact O-N 2.79Å; N34-D36 PolarHBondContact OD1-N 2.98Å; N34-D36 PolarHBondContact OD1-OD2 2.82Å; N34-L37 HydrophobicContact CB-CD1 4.31Å; N34-L37 HydrophobicContact CB-CG 4.37Å; N34-L37 WeakPolarHBondContact O-CB 3.42Å; N34-L37 PolarHBondContact O-N 3.18Å; N34-F38 WeakPolarHBondContact O-CD2 3.2Å
35	L	95.6	Very high	95.3	Very high	15 Å²	15	85.1 Å²	85.1	8%	0.079	43%	0.427	C	S	.	.	G	3₁₀ helix	trans	-55.4	-36.3	176.5	-63	177.4	0	0	0	112.8	Y33 L37 F38 Y40 I48 V51	Y33-L35 PolarHBondContact O-N 3.37Å; L35-L37 PolarHBondContact O-N 2.94Å; L35-F38 PolarHBondContact O-N 2.88Å; L35-F38 VanDerWaalsContact O-O 3.13Å; L35-Y40 HydrophobicContact CB-CE1 3.76Å; L35-Y40 HydrophobicContact CD2-CE1 4.35Å; L35-I48 HydrophobicContact CD1-CD1 4.34Å; L35-I48 HydrophobicContact CD1-CG1 3.85Å; L35-I48 HydrophobicContact CD2-CD1 3.55Å; L35-I48 HydrophobicContact CD2-CG1 3.84Å; L35-V51 HydrophobicContact CD2-CG2 3.99Å
36	D	95.4	Very high	95.5	Very high	122 Å²	122	84.8 Å²	84.8	65%	0.652	43%	0.429	S	S	*	.	G	3₁₀ helix	trans	-61.1	-16.6	-178.1	-60	-33.6	0	0	0	113.6	N34 F38	N34-D36 PolarHBondContact ND2-OD2 2.85Å; N34-D36 VanDerWaalsContact ND2-OD2 3.15Å; N34-D36 PolarHBondContact O-N 2.79Å; N34-D36 PolarHBondContact OD1-N 2.98Å; N34-D36 PolarHBondContact OD1-OD2 2.82Å; D36-F38 VanDerWaalsContact C-N 3.34Å
37	L	96.8	Very high	95.7	Very high	128 Å²	128	83.9 Å²	83.9	67%	0.67	43%	0.425	S	S	*	.	G	3₁₀ helix	trans	-88.1	-4.2	179.1	-57	176.3	0	0	0	112.9	N34 L35	N34-L37 HydrophobicContact CB-CD1 4.31Å; N34-L37 HydrophobicContact CB-CG 4.37Å; N34-L37 WeakPolarHBondContact O-CB 3.42Å; N34-L37 PolarHBondContact O-N 3.18Å; L35-L37 PolarHBondContact O-N 2.94Å
38	F	97.5	Very high	95.9	Very high	57 Å²	57	77.9 Å²	77.9	25%	0.25	40%	0.399	C	S	.	.	S	Bend	trans	-133.2	157.1	-172.2	-65.4	-89.9	0	0	0	112.2	Y33 N34 L35 D36 V51 P54 H220	Y33-F38 VanDerWaalsContact CB-CE2 3.47Å; Y33-F38 HydrophobicContact CD2-CZ 4.36Å; Y33-F38 AromaticContact CG-CE2 3.98Å; Y33-F38 HydrophobicContact CG-CE2 3.98Å; Y33-F38 HydrophobicContact CG-CZ 4.13Å; N34-F38 WeakPolarHBondContact O-CD2 3.2Å; L35-F38 PolarHBondContact O-N 2.88Å; L35-F38 VanDerWaalsContact O-O 3.13Å; D36-F38 VanDerWaalsContact C-N 3.34Å; F38-V51 HydrophobicContact CB-CG2 4.06Å; F38-V51 HydrophobicContact CD2-CB 4.17Å; F38-V51 HydrophobicContact CD2-CG2 3.86Å; F38-V51 HydrophobicContact CE2-CB 4.4Å; F38-V51 HydrophobicContact CG-CG2 3.93Å; F38-P54 HydrophobicContact CE1-CB 3.81Å; F38-P54 HydrophobicContact CE1-CG 3.88Å; F38-P54 HydrophobicContact CZ-CB 4.33Å; F38-P54 HydrophobicContact CZ-CG 3.88Å; F38-H220 AromaticContact CD1-NE2 3.72Å
39	T	96.9	Very high	96.2	Very high	121 Å²	121	78.1 Å²	78.1	74%	0.742	40%	0.397	S	S	*	.			trans	-95.4	129.3	171.6	57.3	0	0	0	0	110	H220	T39-H220 PolarHBondContact O-NE2 2.88Å
40	Y	96	Very high	96.5	Very high	47 Å²	47	72.7 Å²	72.7	18%	0.184	37%	0.367	C	S	.	.			trans	-151.9	163.8	175.7	61.6	-84.9	0	0	0	109.7	L35 E42 H45 I48	L35-Y40 HydrophobicContact CB-CE1 3.76Å; L35-Y40 HydrophobicContact CD2-CE1 4.35Å; Y40-E42 PolarHBondContact O-N 3.26Å; Y40-H45 HydrophobicContact CE2-CB 4.41Å; Y40-H45 AromaticContact CZ-ND1 3.92Å; Y40-H45 PolarHBondContact OH-ND1 3.47Å; Y40-I48 HydrophobicContact CD2-CD1 3.84Å; Y40-I48 HydrophobicContact CE2-CD1 3.93Å; Y40-I48 HydrophobicContact CG-CD1 4.3Å
41	P	96.2	Very high	96.6	Very high	37 Å²	37	68.9 Å²	68.9	24%	0.24	35%	0.353	C	S	.	.			trans	-58	123.4	177.9	-22.1	32.4	0	0	0	112.5	H43 Y44 L218	P41-H43 WeakPolarHBondContact CB-CE1 3.41Å; P41-H43 WeakPolarHBondContact CB-ND1 3.1Å; P41-H43 PolarHBondContact O-N 3.32Å; P41-Y44 HydrophobicContact CB-CD2 4.11Å; P41-Y44 HydrophobicContact CG-CD2 4.4Å; P41-Y44 PolarHBondContact O-N 2.89Å; P41-Y44 VanDerWaalsContact O-N 3.12Å; P41-L218 VanDerWaalsContact CD-CD2 3.47Å; P41-L218 HydrophobicContact CG-CD2 3.97Å
42	E	95.2	Very high	96.8	Very high	173 Å²	173	64.7 Å²	64.7	81%	0.808	33%	0.325	S	S	*	.	G	3₁₀ helix	trans	-60.2	-30.8	-172.7	-171.6	175.9	-174	0	0	113.1	Y40 Y44 H45	Y40-E42 PolarHBondContact O-N 3.26Å; E42-Y44 PolarHBondContact O-N 3.39Å; E42-H45 WeakPolarHBondContact O-CB 3.26Å; E42-H45 PolarHBondContact O-N 3.49Å
43	H	96	Very high	96.9	Very high	102 Å²	102	64.3 Å²	64.3	47%	0.472	32%	0.321	S	S	.	.	G	3₁₀ helix	trans	-65.1	-10.4	179.6	65.9	-85.9	0	0	0	114.4	P41 D217	P41-H43 WeakPolarHBondContact CB-CE1 3.41Å; P41-H43 WeakPolarHBondContact CB-ND1 3.1Å; P41-H43 PolarHBondContact O-N 3.32Å; H43-D217 IonicContact CE1-OD2 3.86Å; H43-D217 IonicContact NE2-OD2 3.63Å
44	Y	97.8	Very high	97	Very high	9 Å²	9	60.6 Å²	60.6	4%	0.035	31%	0.308	C	S	.	.	G	3₁₀ helix	trans	-101.6	4.5	174.6	-67	-45.8	0	0	0	114.5	P41 E42 D46 D47 I48 F215 D217 L218 Y232	P41-Y44 HydrophobicContact CB-CD2 4.11Å; P41-Y44 HydrophobicContact CG-CD2 4.4Å; P41-Y44 PolarHBondContact O-N 2.89Å; P41-Y44 VanDerWaalsContact O-N 3.12Å; E42-Y44 PolarHBondContact O-N 3.39Å; Y44-D46 PolarHBondContact O-N 2.89Å; Y44-D47 HydrophobicContact CD1-CB 4.33Å; Y44-D47 WeakPolarHBondContact O-CB 3.46Å; Y44-D47 PolarHBondContact O-N 3.07Å; Y44-I48 PolarHBondContact O-N 2.62Å; Y44-F215 AromaticContact CD1-CD1 3.52Å; Y44-F215 HydrophobicContact CD1-CD1 3.52Å; Y44-F215 AromaticContact CD1-CE1 3.29Å; Y44-F215 HydrophobicContact CD1-CE1 3.29Å; Y44-F215 HydrophobicContact CD1-CZ 4.21Å; Y44-F215 HydrophobicContact CD2-CD1 4.09Å; Y44-F215 AromaticContact CE1-CD1 3.5Å; Y44-F215 HydrophobicContact CE1-CD1 3.5Å; Y44-F215 AromaticContact CE1-CE1 3.57Å; Y44-F215 HydrophobicContact CE1-CE1 3.57Å; Y44-F215 HydrophobicContact CE1-CG 4.19Å; Y44-F215 HydrophobicContact CE1-CZ 4.27Å; Y44-F215 HydrophobicContact CE2-CD1 4.04Å; Y44-F215 AromaticContact CG-CD1 3.83Å; Y44-F215 HydrophobicContact CG-CD1 3.83Å; Y44-F215 AromaticContact CG-CE1 3.87Å; Y44-F215 HydrophobicContact CG-CE1 3.87Å; Y44-F215 AromaticContact CZ-CD1 3.76Å; Y44-F215 PolarHBondContact OH-N 2.79Å; Y44-D217 WeakPolarHBondContact CE2-OD1 3.42Å; Y44-D217 PolarHBondContact OH-OD1 3.02Å; Y44-D217 VanDerWaalsContact OH-OD1 3.13Å; Y44-L218 HydrophobicContact CD2-CD1 4.29Å; Y44-L218 HydrophobicContact CD2-CD2 3.43Å; Y44-L218 VanDerWaalsContact CD2-CD2 3.43Å; Y44-L218 HydrophobicContact CD2-CG 3.78Å; Y44-L218 HydrophobicContact CE2-CD2 4.04Å; Y44-L218 HydrophobicContact CE2-CG 3.99Å; Y44-L218 HydrophobicContact CG-CD2 4.32Å; Y44-Y232 HydrophobicContact CE1-CE2 4.47Å
45	H	95.3	Very high	97	Very high	93 Å²	93	59 Å²	59	43%	0.431	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	-48.2	-50.2	-173.8	-173.2	83.3	0	0	0	114.7	Y40 E42 D47	Y40-H45 HydrophobicContact CE2-CB 4.41Å; Y40-H45 AromaticContact CZ-ND1 3.92Å; Y40-H45 PolarHBondContact OH-ND1 3.47Å; E42-H45 WeakPolarHBondContact O-CB 3.26Å; E42-H45 PolarHBondContact O-N 3.49Å; H45-D47 VanDerWaalsContact C-N 3.35Å
46	D	96.6	Very high	97.1	Very high	114 Å²	114	60.3 Å²	60.3	61%	0.61	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.8	-6.3	179.7	-61.1	-47	0	0	0	113.8	Y44 S225	Y44-D46 PolarHBondContact O-N 2.89Å; D46-S225 PolarHBondContact O-OG 3.18Å
47	D	98.2	Very high	97.3	Very high	3 Å²	3	57.4 Å²	57.4	2%	0.016	30%	0.301	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.5	-14.3	-170.3	-63.6	-30.3	0	0	0	113	Y44 H45 F215 I224 S225 K231 Y232	Y44-D47 HydrophobicContact CD1-CB 4.33Å; Y44-D47 WeakPolarHBondContact O-CB 3.46Å; Y44-D47 PolarHBondContact O-N 3.07Å; H45-D47 VanDerWaalsContact C-N 3.35Å; D47-F215 HydrophobicContact CB-CE1 3.77Å; D47-F215 HydrophobicContact CB-CZ 3.9Å; D47-I224 WeakPolarHBondContact O-CG1 3.3Å; D47-S225 VanDerWaalsContact C-OG 3.32Å; D47-S225 PolarHBondContact O-N 3.3Å; D47-S225 PolarHBondContact O-OG 2.9Å; D47-K231 VanDerWaalsContact OD1-CD 3.25Å; D47-K231 WeakPolarHBondContact OD1-CD 3.4Å; D47-K231 IonicContact OD1-NZ 3.75Å; D47-K231 PolarHBondContact OD1-NZ 3.06Å; D47-K231 IonicContact OD2-NZ 2.77Å; D47-K231 PolarHBondContact OD2-NZ 2.86Å; D47-Y232 HydrophobicContact CB-CE2 4.04Å; D47-Y232 VanDerWaalsContact OD2-CE2 3.24Å; D47-Y232 WeakPolarHBondContact OD2-CE2 3.27Å; D47-Y232 PolarHBondContact OD2-OH 3.29Å
48	I	97.8	Very high	97.3	Very high	6 Å²	6	51.3 Å²	51.3	3%	0.031	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	146.6	177.5	60.4	178.4	0	0	0	110.8	L35 Y40 Y44 V205 F215 L218 C222 V223	L35-I48 HydrophobicContact CD1-CD1 4.34Å; L35-I48 HydrophobicContact CD1-CG1 3.85Å; L35-I48 HydrophobicContact CD2-CD1 3.55Å; L35-I48 HydrophobicContact CD2-CG1 3.84Å; Y40-I48 HydrophobicContact CD2-CD1 3.84Å; Y40-I48 HydrophobicContact CE2-CD1 3.93Å; Y40-I48 HydrophobicContact CG-CD1 4.3Å; Y44-I48 PolarHBondContact O-N 2.62Å; I48-V205 HydrophobicContact CG2-CG2 4.32Å; I48-F215 HydrophobicContact CG2-CD1 4.33Å; I48-F215 HydrophobicContact CG2-CE1 4.07Å; I48-L218 HydrophobicContact CG2-CD1 4.03Å; I48-C222 HydrophobicContact CB-CB 4.17Å; I48-C222 HydrophobicContact CD1-CB 4.41Å; I48-C222 HydrophobicContact CG2-CB 4.06Å; I48-V223 WeakPolarHBondContact CA-O 3.33Å
49	E	97.3	Very high	97.4	Very high	116 Å²	116	50.7 Å²	50.7	54%	0.542	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	-41.2	-176.4	-174.6	179.2	165	0	0	112.1	V223	E49-V223 HydrophobicContact CB-CB 4.37Å; E49-V223 HydrophobicContact CB-CG1 4.39Å; E49-V223 PolarHBondContact N-O 3.34Å
50	N	97.8	Very high	97.4	Very high	15 Å²	15	49.9 Å²	49.9	8%	0.08	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-162.1	160.7	-178.6	56.1	75.1	0	0	0	110.9	P31 Y33 Y52 C222 V223	P31-N50 PolarHBondContact O-ND2 2.95Å; Y33-N50 WeakPolarHBondContact O-CB 3.29Å; N50-Y52 PolarHBondContact O-N 2.99Å; N50-C222 VanDerWaalsContact O-CA 3.27Å; N50-C222 WeakPolarHBondContact O-CA 3.36Å; N50-C222 VanDerWaalsContact O-CB 3.26Å; N50-C222 WeakPolarHBondContact O-CB 3.2Å; N50-V223 PolarHBondContact O-N 2.67Å
51	V	98.2	Very high	97.5	Very high	1 Å²	1	48.7 Å²	48.7	1%	0.006	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	113.8	164.3	173.3	0	0	0	0	108	G32 Y33 L35 F38 P54 H220	G32-V51 WeakPolarHBondContact CA-O 3.36Å; Y33-V51 PolarHBondContact N-O 3.45Å; Y33-V51 PolarHBondContact O-N 3.03Å; L35-V51 HydrophobicContact CD2-CG2 3.99Å; F38-V51 HydrophobicContact CB-CG2 4.06Å; F38-V51 HydrophobicContact CD2-CB 4.17Å; F38-V51 HydrophobicContact CD2-CG2 3.86Å; F38-V51 HydrophobicContact CE2-CB 4.4Å; F38-V51 HydrophobicContact CG-CG2 3.93Å; V51-P54 HydrophobicContact CG1-CB 4.41Å; V51-P54 HydrophobicContact CG1-CG 4.01Å; V51-H220 HydrophobicContact CG1-CB 3.97Å; V51-H220 HydrophobicContact CG2-CB 4.39Å
52	Y	97.9	Very high	97.6	Very high	6 Å²	6	47 Å²	47	2%	0.024	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	-46.2	-176.2	-157.2	-115.5	0	0	0	112	I26 W30 N50 I199 P200 V204 I221 V223	I26-Y52 HydrophobicContact CD1-CD1 4.4Å; I26-Y52 HydrophobicContact CD1-CE1 4.06Å; I26-Y52 HydrophobicContact CG2-CE1 4.09Å; I26-Y52 WeakPolarHBondContact CG2-OH 3.24Å; W30-Y52 AromaticContact CD1-CD2 3.88Å; W30-Y52 AromaticContact CD1-CE2 3.38Å; W30-Y52 AromaticContact CD1-CZ 3.68Å; W30-Y52 HydrophobicContact CG-CE2 4.39Å; W30-Y52 PolarHBondContact NE1-O 3.32Å; N50-Y52 PolarHBondContact O-N 2.99Å; Y52-I199 HydrophobicContact CE1-CB 4.2Å; Y52-I199 HydrophobicContact CE1-CG2 4.11Å; Y52-P200 WeakPolarHBondContact OH-CD 3.44Å; Y52-P200 VanDerWaalsContact OH-CG 3.29Å; Y52-P200 WeakPolarHBondContact OH-CG 3.48Å; Y52-V204 HydrophobicContact CD1-CG1 4.17Å; Y52-I221 WeakPolarHBondContact CA-O 3.05Å; Y52-I221 WeakPolarHBondContact CB-O 3.29Å; Y52-I221 PolarHBondContact N-O 3.36Å; Y52-V223 HydrophobicContact CD2-CG2 3.6Å; Y52-V223 HydrophobicContact CE2-CG2 4.21Å; Y52-V223 HydrophobicContact CG-CG2 3.94Å
53	I	98.3	Very high	97.6	Very high	4 Å²	4	41.2 Å²	41.2	2%	0.021	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	112.2	174.5	-46.9	177	0	0	0	108.4	I26 V57 I58 L180 F197 I199 I221	I26-I53 HydrophobicContact CD1-CD1 3.59Å; I26-I53 HydrophobicContact CD1-CG1 3.63Å; I53-V57 HydrophobicContact CG2-CB 4.26Å; I53-V57 HydrophobicContact CG2-CG1 4.18Å; I53-I58 HydrophobicContact CB-CG1 4.36Å; I53-I58 HydrophobicContact CG2-CD1 4.42Å; I53-I58 HydrophobicContact CG2-CG1 3.68Å; I53-L180 HydrophobicContact CD1-CD2 3.72Å; I53-F197 HydrophobicContact CD1-CB 4.03Å; I53-F197 HydrophobicContact CD1-CD1 4.19Å; I53-F197 HydrophobicContact CD1-CD2 3.99Å; I53-F197 HydrophobicContact CD1-CG 3.8Å; I53-F197 HydrophobicContact CG2-CE1 4.14Å; I53-F197 HydrophobicContact CG2-CE2 4.24Å; I53-F197 HydrophobicContact CG2-CZ 3.95Å; I53-I199 HydrophobicContact CD1-CG2 4.32Å; I53-I221 HydrophobicContact CB-CB 4.13Å; I53-I221 HydrophobicContact CB-CD1 4.43Å; I53-I221 HydrophobicContact CD1-CD1 4.24Å; I53-I221 HydrophobicContact CG1-CB 4.5Å; I53-I221 PolarHBondContact N-O 3.26Å; I53-I221 PolarHBondContact O-N 3.17Å; I53-I221 VanDerWaalsContact O-N 3.08Å
54	P	98.5	Very high	97.6	Very high	15 Å²	15	41.6 Å²	41.6	10%	0.097	21%	0.213	C	C	.	.			trans	-62.8	148.8	177.3	-24.1	34.3	0	0	0	112.5	Y33 F38 V51 G56 V57 I58	Y33-P54 HydrophobicContact CD2-CG 3.76Å; Y33-P54 HydrophobicContact CE2-CG 3.59Å; F38-P54 HydrophobicContact CE1-CB 3.81Å; F38-P54 HydrophobicContact CE1-CG 3.88Å; F38-P54 HydrophobicContact CZ-CB 4.33Å; F38-P54 HydrophobicContact CZ-CG 3.88Å; V51-P54 HydrophobicContact CG1-CB 4.41Å; V51-P54 HydrophobicContact CG1-CG 4.01Å; P54-G56 VanDerWaalsContact C-N 3.31Å; P54-G56 PolarHBondContact O-N 3.46Å; P54-V57 HydrophobicContact CB-CG2 4.22Å; P54-V57 HydrophobicContact CG-CG2 4.3Å; P54-V57 WeakPolarHBondContact O-CB 3.36Å; P54-V57 PolarHBondContact O-N 3.4Å; P54-I58 PolarHBondContact O-N 3.46Å
55	H	98.6	Very high	97.6	Very high	55 Å²	55	41.2 Å²	41.2	26%	0.255	21%	0.212	S	C	.	.	H	α-helix	trans	-57	-42.4	-177.2	176.4	-96.4	0	0	0	112.6	V57 I58 M59 Y207 N219 H220	H55-V57 VanDerWaalsContact C-N 3.32Å; H55-V57 PolarHBondContact O-N 2.98Å; H55-I58 WeakPolarHBondContact O-CB 3.45Å; H55-I58 PolarHBondContact O-N 3.44Å; H55-I58 VanDerWaalsContact O-N 3.15Å; H55-M59 WeakPolarHBondContact O-CG 3.37Å; H55-M59 PolarHBondContact O-N 3.32Å; H55-Y207 AromaticContact CD2-CD2 3.99Å; H55-Y207 AromaticContact CD2-CE2 3.93Å; H55-N219 HydrophobicContact CB-CB 4.32Å; H55-N219 PolarHBondContact CD2-O 2.98Å; H55-H220 WeakPolarHBondContact CB-ND1 3.43Å; H55-H220 PolarHBondContact N-ND1 3.08Å; H55-H220 VanDerWaalsContact N-ND1 3.11Å
56	G	97.8	Very high	97.6	Very high	42 Å²	42	36.8 Å²	36.8	43%	0.433	19%	0.191	S	C	.	.	H	α-helix	trans	-59	-41.3	177.5	0	0	0	0	0	113.1	P54 I58 M59 D60	P54-G56 VanDerWaalsContact C-N 3.31Å; P54-G56 PolarHBondContact O-N 3.46Å; G56-I58 VanDerWaalsContact C-N 3.3Å; G56-I58 PolarHBondContact O-N 3.45Å; G56-M59 PolarHBondContact O-N 2.97Å; G56-D60 PolarHBondContact O-N 3.32Å
57	V	98	Very high	97.5	Very high	61 Å²	61	35.2 Å²	35.2	37%	0.37	18%	0.177	S	C	.	.	H	α-helix	trans	-65.6	-36.2	178	-179.9	0	0	0	0	111.1	I53 P54 H55 R61 F197	I53-V57 HydrophobicContact CG2-CB 4.26Å; I53-V57 HydrophobicContact CG2-CG1 4.18Å; P54-V57 HydrophobicContact CB-CG2 4.22Å; P54-V57 HydrophobicContact CG-CG2 4.3Å; P54-V57 WeakPolarHBondContact O-CB 3.36Å; P54-V57 PolarHBondContact O-N 3.4Å; H55-V57 VanDerWaalsContact C-N 3.32Å; H55-V57 PolarHBondContact O-N 2.98Å; V57-R61 WeakPolarHBondContact O-CB 3.43Å; V57-R61 PolarHBondContact O-N 3.42Å; V57-R61 VanDerWaalsContact O-N 3.1Å; V57-F197 HydrophobicContact CG1-CE1 3.91Å; V57-F197 HydrophobicContact CG1-CZ 3.98Å
58	I	98.3	Very high	97.3	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-60.6	-50.1	173	-61	169.2	0	0	0	109.6	I53 P54 H55 G56 D60 R61 I62 L179 F197 Y207 I221	I53-I58 HydrophobicContact CB-CG1 4.36Å; I53-I58 HydrophobicContact CG2-CD1 4.42Å; I53-I58 HydrophobicContact CG2-CG1 3.68Å; P54-I58 PolarHBondContact O-N 3.46Å; H55-I58 WeakPolarHBondContact O-CB 3.45Å; H55-I58 PolarHBondContact O-N 3.44Å; H55-I58 VanDerWaalsContact O-N 3.15Å; G56-I58 VanDerWaalsContact C-N 3.3Å; G56-I58 PolarHBondContact O-N 3.45Å; I58-D60 PolarHBondContact O-N 2.99Å; I58-R61 PolarHBondContact O-N 2.8Å; I58-R61 VanDerWaalsContact O-N 3.16Å; I58-I62 HydrophobicContact CG2-CD1 3.55Å; I58-I62 HydrophobicContact CG2-CG1 4.19Å; I58-I62 VanDerWaalsContact O-CG1 3.26Å; I58-I62 WeakPolarHBondContact O-CG1 3.34Å; I58-I62 PolarHBondContact O-N 3.46Å; I58-L179 HydrophobicContact CG2-CD1 4.15Å; I58-L179 HydrophobicContact CG2-CD2 4.29Å; I58-F197 HydrophobicContact CG1-CE2 4.43Å; I58-Y207 HydrophobicContact CD1-CD1 4.47Å; I58-Y207 HydrophobicContact CD1-CD2 4.14Å; I58-Y207 HydrophobicContact CD1-CG 4.01Å; I58-Y207 HydrophobicContact CG2-CD1 4.2Å; I58-Y207 HydrophobicContact CG2-CD2 4.39Å; I58-Y207 HydrophobicContact CG2-CE1 3.75Å; I58-Y207 HydrophobicContact CG2-CE2 3.97Å; I58-Y207 HydrophobicContact CG2-CG 4.49Å; I58-I221 HydrophobicContact CD1-CB 4.44Å; I58-I221 HydrophobicContact CD1-CD1 3.48Å; I58-I221 VanDerWaalsContact CD1-CD1 3.48Å; I58-I221 HydrophobicContact CD1-CG1 3.66Å; I58-I221 HydrophobicContact CG1-CD1 4.11Å
59	M	98.4	Very high	97.1	Very high	45 Å²	45	36.3 Å²	36.3	22%	0.222	18%	0.18	C	C	.	.	H	α-helix	trans	-59.6	-47	-179.3	-62.9	-53	-70.5	0	0	112.4	H55 G56 R61 I62 E63 D93 F97	H55-M59 WeakPolarHBondContact O-CG 3.37Å; H55-M59 PolarHBondContact O-N 3.32Å; G56-M59 PolarHBondContact O-N 2.97Å; M59-R61 VanDerWaalsContact C-N 3.25Å; M59-R61 PolarHBondContact O-N 3.15Å; M59-I62 PolarHBondContact O-N 2.83Å; M59-E63 PolarHBondContact O-N 2.91Å; M59-D93 HydrophobicContact CE-CB 4.18Å; M59-D93 HydrophobicContact SD-CB 4.36Å; M59-F97 HydrophobicContact CB-CZ 4.49Å; M59-F97 HydrophobicContact CE-CE2 3.63Å; M59-F97 HydrophobicContact CE-CZ 3.8Å; M59-F97 WeakPolarHBondContact O-CE2 3.21Å
60	D	97.4	Very high	96.9	Very high	103 Å²	103	31.6 Å²	31.6	55%	0.551	16%	0.158	S	C	*	.	H	α-helix	trans	-58	-40.7	177.1	-69.6	-15.8	0	0	0	111.5	G56 I58 R64	G56-D60 PolarHBondContact O-N 3.32Å; I58-D60 PolarHBondContact O-N 2.99Å; D60-R64 PolarHBondContact O-N 3.37Å
61	R	97.2	Very high	96.6	Very high	23 Å²	23	36 Å²	36	9%	0.087	18%	0.178	C	C	.	.	H	α-helix	trans	-69.3	-44.6	179	-177.6	56	179	-179.8	1.5	111.7	C22 V57 I58 M59 E63 R64 L65 V195 G196 F197	C22-R61 VanDerWaalsContact O-CZ 3.31Å; C22-R61 PolarHBondContact O-NH1 2.94Å; C22-R61 PolarHBondContact O-NH2 3.1Å; V57-R61 WeakPolarHBondContact O-CB 3.43Å; V57-R61 PolarHBondContact O-N 3.42Å; V57-R61 VanDerWaalsContact O-N 3.1Å; I58-R61 PolarHBondContact O-N 2.8Å; I58-R61 VanDerWaalsContact O-N 3.16Å; M59-R61 VanDerWaalsContact C-N 3.25Å; M59-R61 PolarHBondContact O-N 3.15Å; R61-E63 VanDerWaalsContact C-N 3.31Å; R61-E63 PolarHBondContact O-N 2.87Å; R61-R64 WeakPolarHBondContact O-CA 3.38Å; R61-R64 WeakPolarHBondContact O-CB 3.29Å; R61-R64 PolarHBondContact O-N 2.81Å; R61-R64 VanDerWaalsContact O-N 3.08Å; R61-L65 WeakPolarHBondContact O-CG 3.18Å; R61-L65 PolarHBondContact O-N 2.68Å; R61-V195 PolarHBondContact NE-O 3.38Å; R61-V195 PolarHBondContact NH2-O 3.03Å; R61-G196 WeakPolarHBondContact CG-O 3.39Å; R61-G196 PolarHBondContact NE-O 2.84Å; R61-F197 HydrophobicContact CB-CE1 4.23Å; R61-F197 HydrophobicContact CB-CE2 3.79Å; R61-F197 HydrophobicContact CB-CZ 3.42Å; R61-F197 VanDerWaalsContact CB-CZ 3.42Å; R61-F197 HydrophobicContact CG-CD2 4.43Å; R61-F197 HydrophobicContact CG-CE1 4.29Å; R61-F197 HydrophobicContact CG-CE2 3.8Å; R61-F197 HydrophobicContact CG-CZ 3.72Å
62	I	98.1	Very high	96.2	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-62.7	-40.3	179.2	-63.2	170.9	0	0	0	110.4	I58 M59 R64 L65 A66 F90 D93 L94 F97 L179 Y207	I58-I62 HydrophobicContact CG2-CD1 3.55Å; I58-I62 HydrophobicContact CG2-CG1 4.19Å; I58-I62 VanDerWaalsContact O-CG1 3.26Å; I58-I62 WeakPolarHBondContact O-CG1 3.34Å; I58-I62 PolarHBondContact O-N 3.46Å; M59-I62 PolarHBondContact O-N 2.83Å; I62-R64 PolarHBondContact O-N 2.85Å; I62-L65 PolarHBondContact O-N 3.26Å; I62-L65 VanDerWaalsContact O-N 3.1Å; I62-A66 PolarHBondContact O-N 3.21Å; I62-F90 HydrophobicContact CD1-CD2 3.7Å; I62-F90 HydrophobicContact CD1-CE2 4.22Å; I62-F90 HydrophobicContact CG1-CD2 3.85Å; I62-F90 HydrophobicContact CG1-CE2 3.84Å; I62-F90 HydrophobicContact CG2-CD2 4.45Å; I62-F90 HydrophobicContact CG2-CE2 4.23Å; I62-D93 HydrophobicContact CD1-CB 4.13Å; I62-L94 VanDerWaalsContact CG2-CA 3.49Å; I62-L94 HydrophobicContact CG2-CB 3.87Å; I62-L94 HydrophobicContact CG2-CD1 3.97Å; I62-F97 HydrophobicContact CB-CD2 4.14Å; I62-F97 HydrophobicContact CB-CE2 4.12Å; I62-F97 HydrophobicContact CG2-CD2 3.65Å; I62-F97 HydrophobicContact CG2-CE2 4.1Å; I62-L179 HydrophobicContact CD1-CD1 4.48Å; I62-L179 HydrophobicContact CG1-CD1 4.24Å; I62-Y207 HydrophobicContact CD1-CE1 4.22Å; I62-Y207 WeakPolarHBondContact CD1-OH 3.48Å
63	E	97.3	Very high	95.9	Very high	52 Å²	52	40 Å²	40	24%	0.243	20%	0.2	C	C	.	.	H	α-helix	trans	-58.4	-37	174.6	-166.6	-163.2	157.3	0	0	111.7	M59 R61 R67 F97	M59-E63 PolarHBondContact O-N 2.91Å; R61-E63 VanDerWaalsContact C-N 3.31Å; R61-E63 PolarHBondContact O-N 2.87Å; E63-R67 PolarHBondContact O-N 3.01Å; E63-R67 PolarHBondContact O-NH1 2.8Å; E63-R67 IonicContact OE1-CZ 2.83Å; E63-R67 VanDerWaalsContact OE1-CZ 3.3Å; E63-R67 IonicContact OE1-NH1 2.8Å; E63-R67 PolarHBondContact OE1-NH1 2.83Å; E63-R67 IonicContact OE1-NH2 2.78Å; E63-R67 PolarHBondContact OE1-NH2 3.49Å; E63-F97 HydrophobicContact CB-CD1 3.87Å; E63-F97 HydrophobicContact CB-CD2 4.27Å; E63-F97 HydrophobicContact CB-CE1 3.71Å; E63-F97 HydrophobicContact CB-CE2 4.12Å; E63-F97 HydrophobicContact CB-CG 4.14Å; E63-F97 HydrophobicContact CB-CZ 3.83Å; E63-F97 HydrophobicContact CG-CD1 3.62Å; E63-F97 HydrophobicContact CG-CE1 3.66Å; E63-F97 HydrophobicContact CG-CG 4.25Å; E63-F97 HydrophobicContact CG-CZ 4.3Å
64	R	96	Very high	94.8	Very high	110 Å²	110	44.6 Å²	44.6	42%	0.415	22%	0.222	S	C	.	.	H	α-helix	trans	-69.2	-43.4	174.1	-174.9	59.1	171.6	177.6	1.4	112	D60 R61 I62 A66 R67 Y68	D60-R64 PolarHBondContact O-N 3.37Å; R61-R64 WeakPolarHBondContact O-CA 3.38Å; R61-R64 WeakPolarHBondContact O-CB 3.29Å; R61-R64 PolarHBondContact O-N 2.81Å; R61-R64 VanDerWaalsContact O-N 3.08Å; I62-R64 PolarHBondContact O-N 2.85Å; R64-A66 VanDerWaalsContact C-N 3.31Å; R64-A66 PolarHBondContact O-N 3.42Å; R64-R67 WeakPolarHBondContact O-CB 3.3Å; R64-R67 PolarHBondContact O-N 2.64Å; R64-Y68 HydrophobicContact CG-CE2 3.82Å; R64-Y68 VanDerWaalsContact NE-CZ 3.32Å; R64-Y68 PolarHBondContact NE-OH 3.11Å; R64-Y68 PolarHBondContact NH2-OH 3.1Å; R64-Y68 PolarHBondContact O-N 2.85Å
65	L	96.3	Very high	93.6	Very high	2 Å²	2	51.7 Å²	51.7	1%	0.01	26%	0.259	C	S	.	.	H	α-helix	trans	-61.1	-40.6	176.5	-63.4	-174.5	0	0	0	112	R61 I62 R67 Y68 V69 F90 L94	R61-L65 WeakPolarHBondContact O-CG 3.18Å; R61-L65 PolarHBondContact O-N 2.68Å; I62-L65 PolarHBondContact O-N 3.26Å; I62-L65 VanDerWaalsContact O-N 3.1Å; L65-R67 PolarHBondContact O-N 3.28Å; L65-Y68 HydrophobicContact CD2-CD2 4.21Å; L65-Y68 WeakPolarHBondContact O-CB 3.41Å; L65-Y68 PolarHBondContact O-N 3.46Å; L65-V69 WeakPolarHBondContact O-CG2 3.45Å; L65-V69 PolarHBondContact O-N 3.23Å; L65-F90 HydrophobicContact CD1-CE2 4.17Å; L65-F90 HydrophobicContact CD1-CZ 4.04Å; L65-L94 HydrophobicContact CB-CD1 4.18Å
66	A	95.9	Very high	92.5	Very high	0 Å²	0	50 Å²	50	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-57.5	-37	177	0	0	0	0	0	112	I62 R64 V69 M70 L94 F97 I98 L101	I62-A66 PolarHBondContact O-N 3.21Å; R64-A66 VanDerWaalsContact C-N 3.31Å; R64-A66 PolarHBondContact O-N 3.42Å; A66-V69 PolarHBondContact O-N 2.86Å; A66-M70 WeakPolarHBondContact O-CB 3.36Å; A66-M70 WeakPolarHBondContact O-CG 3.47Å; A66-M70 PolarHBondContact O-N 2.95Å; A66-L94 HydrophobicContact CB-CD1 4Å; A66-F97 HydrophobicContact CB-CB 3.52Å; A66-I98 HydrophobicContact CB-CG1 4Å; A66-L101 HydrophobicContact CB-CD1 3.74Å
67	R	94.3	Very high	92	Very high	81 Å²	81	53.4 Å²	53.4	31%	0.306	26%	0.256	S	S	.	.	H	α-helix	trans	-64.4	-43.6	174.7	-66.9	179.6	-179	96.1	-6.6	112.1	E63 R64 L65 V69 M70 E71 L101	E63-R67 PolarHBondContact O-N 3.01Å; E63-R67 PolarHBondContact O-NH1 2.8Å; E63-R67 IonicContact OE1-CZ 2.83Å; E63-R67 VanDerWaalsContact OE1-CZ 3.3Å; E63-R67 IonicContact OE1-NH1 2.8Å; E63-R67 PolarHBondContact OE1-NH1 2.83Å; E63-R67 IonicContact OE1-NH2 2.78Å; E63-R67 PolarHBondContact OE1-NH2 3.49Å; R64-R67 WeakPolarHBondContact O-CB 3.3Å; R64-R67 PolarHBondContact O-N 2.64Å; L65-R67 PolarHBondContact O-N 3.28Å; R67-V69 VanDerWaalsContact C-N 3.35Å; R67-V69 PolarHBondContact O-N 2.99Å; R67-M70 WeakPolarHBondContact O-CB 3.37Å; R67-M70 PolarHBondContact O-N 3.46Å; R67-E71 WeakPolarHBondContact O-CG 3.42Å; R67-E71 PolarHBondContact O-N 2.53Å; R67-L101 HydrophobicContact CB-CD1 4.42Å; R67-L101 HydrophobicContact CG-CD1 3.59Å; R67-L101 HydrophobicContact CG-CD2 4.12Å
68	Y	93.8	Very high	91.8	Very high	32 Å²	32	50.6 Å²	50.6	13%	0.125	24%	0.239	C	C	.	.	H	α-helix	trans	-62.7	-42.4	176.6	-59.6	-39.3	0	0	0	112	R64 L65 M70 E71 D72	R64-Y68 HydrophobicContact CG-CE2 3.82Å; R64-Y68 VanDerWaalsContact NE-CZ 3.32Å; R64-Y68 PolarHBondContact NE-OH 3.11Å; R64-Y68 PolarHBondContact NH2-OH 3.1Å; R64-Y68 PolarHBondContact O-N 2.85Å; L65-Y68 HydrophobicContact CD2-CD2 4.21Å; L65-Y68 WeakPolarHBondContact O-CB 3.41Å; L65-Y68 PolarHBondContact O-N 3.46Å; Y68-M70 VanDerWaalsContact C-N 3.34Å; Y68-M70 PolarHBondContact O-N 3.49Å; Y68-E71 PolarHBondContact O-N 2.98Å; Y68-D72 PolarHBondContact O-N 3.27Å
69	V	94.4	Very high	91.7	Very high	0 Å²	0	51.1 Å²	51.1	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-60.7	-44.2	174.2	174	0	0	0	0	111	L65 A66 R67 E71 D72 F73 I78 I98 L147 Y194	L65-V69 WeakPolarHBondContact O-CG2 3.45Å; L65-V69 PolarHBondContact O-N 3.23Å; A66-V69 PolarHBondContact O-N 2.86Å; R67-V69 VanDerWaalsContact C-N 3.35Å; R67-V69 PolarHBondContact O-N 2.99Å; V69-E71 VanDerWaalsContact C-N 3.3Å; V69-E71 PolarHBondContact O-N 3.21Å; V69-D72 PolarHBondContact O-N 3.47Å; V69-F73 HydrophobicContact CG1-CD2 3.91Å; V69-F73 HydrophobicContact CG1-CE2 4.25Å; V69-F73 WeakPolarHBondContact O-CB 3.31Å; V69-F73 WeakPolarHBondContact O-CD2 3.49Å; V69-F73 PolarHBondContact O-N 3.4Å; V69-I78 HydrophobicContact CG1-CD1 3.87Å; V69-I98 HydrophobicContact CB-CD1 4.31Å; V69-I98 HydrophobicContact CG1-CD1 3.75Å; V69-I98 HydrophobicContact CG1-CG1 4.48Å; V69-L147 HydrophobicContact CG1-CD2 3.9Å; V69-L147 HydrophobicContact CG2-CD2 4.1Å; V69-Y194 HydrophobicContact CG2-CD1 4.3Å; V69-Y194 HydrophobicContact CG2-CD2 3.89Å; V69-Y194 HydrophobicContact CG2-CE1 4.25Å; V69-Y194 HydrophobicContact CG2-CE2 3.81Å; V69-Y194 HydrophobicContact CG2-CG 4.13Å
70	M	92.4	Very high	91.6	Very high	16 Å²	16	49 Å²	49	8%	0.079	23%	0.231	C	C	.	.	H	α-helix	trans	-63.7	-33	178.4	-74.8	-68.9	-61	0	0	113.5	A66 R67 Y68 I98 L101 R107 L109	A66-M70 WeakPolarHBondContact O-CB 3.36Å; A66-M70 WeakPolarHBondContact O-CG 3.47Å; A66-M70 PolarHBondContact O-N 2.95Å; R67-M70 WeakPolarHBondContact O-CB 3.37Å; R67-M70 PolarHBondContact O-N 3.46Å; Y68-M70 VanDerWaalsContact C-N 3.34Å; Y68-M70 PolarHBondContact O-N 3.49Å; M70-I98 HydrophobicContact SD-CB 4.5Å; M70-I98 HydrophobicContact SD-CG2 3.77Å; M70-L101 HydrophobicContact CG-CB 4.45Å; M70-L101 HydrophobicContact CG-CD1 4.39Å; M70-R107 HydrophobicContact CE-CB 4.24Å; M70-R107 WeakPolarHBondContact CE-O 3.46Å; M70-R107 PolarHBondContact O-NH2 3.13Å; M70-L109 HydrophobicContact CE-CB 4.09Å; M70-L109 HydrophobicContact SD-CB 3.66Å; M70-L109 HydrophobicContact SD-CD2 3.73Å; M70-L109 HydrophobicContact SD-CG 4.33Å
71	E	90.9	Very high	91.6	Very high	107 Å²	107	44.1 Å²	44.1	50%	0.5	21%	0.205	S	C	.	.	H	α-helix	trans	-71.5	-47.2	176	-73.4	166.8	-168.5	0	0	111	R67 Y68 V69	R67-E71 WeakPolarHBondContact O-CG 3.42Å; R67-E71 PolarHBondContact O-N 2.53Å; Y68-E71 PolarHBondContact O-N 2.98Å; V69-E71 VanDerWaalsContact C-N 3.3Å; V69-E71 PolarHBondContact O-N 3.21Å
72	D	91.3	Very high	91.6	Very high	91 Å²	91	43 Å²	43	49%	0.487	20%	0.201	S	C	.	.	H	α-helix	trans	-75.4	-28	-174.8	-74.2	-13.5	0	0	0	114.4	Y68 V69 Y194	Y68-D72 PolarHBondContact O-N 3.27Å; V69-D72 PolarHBondContact O-N 3.47Å; D72-Y194 WeakPolarHBondContact CB-OH 3.47Å; D72-Y194 WeakPolarHBondContact OD2-CE1 3.47Å; D72-Y194 VanDerWaalsContact OD2-CZ 3.29Å; D72-Y194 PolarHBondContact OD2-OH 3.45Å
73	F	90.1	Very high	91.4	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	20%	0.202	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.2	19	-178.3	-75.2	-101.7	0	0	0	113.3	V69 D75 S76 I78 L109 L147 M173 K175 Y194	V69-F73 HydrophobicContact CG1-CD2 3.91Å; V69-F73 HydrophobicContact CG1-CE2 4.25Å; V69-F73 WeakPolarHBondContact O-CB 3.31Å; V69-F73 WeakPolarHBondContact O-CD2 3.49Å; V69-F73 PolarHBondContact O-N 3.4Å; F73-D75 PolarHBondContact O-N 3.28Å; F73-S76 WeakPolarHBondContact O-CB 3.49Å; F73-S76 PolarHBondContact O-N 3.48Å; F73-I78 HydrophobicContact CD1-CB 4.06Å; F73-I78 HydrophobicContact CD1-CD1 3.64Å; F73-I78 HydrophobicContact CD1-CG1 3.72Å; F73-I78 HydrophobicContact CD2-CD1 4.07Å; F73-I78 HydrophobicContact CE1-CB 4.44Å; F73-I78 HydrophobicContact CE1-CD1 3.68Å; F73-I78 HydrophobicContact CE1-CG1 3.65Å; F73-I78 HydrophobicContact CE2-CD1 4.11Å; F73-I78 HydrophobicContact CG-CD1 3.83Å; F73-I78 HydrophobicContact CG-CG1 4.39Å; F73-I78 HydrophobicContact CZ-CD1 3.91Å; F73-I78 HydrophobicContact CZ-CG1 4.29Å; F73-L109 HydrophobicContact CB-CD1 3.93Å; F73-L109 HydrophobicContact CB-CD2 4.13Å; F73-L109 VanDerWaalsContact O-CD1 3.3Å; F73-L109 WeakPolarHBondContact O-CD1 3.43Å; F73-L147 HydrophobicContact CE2-CD1 4.42Å; F73-L147 HydrophobicContact CZ-CB 4.11Å; F73-L147 HydrophobicContact CZ-CD1 4.44Å; F73-M173 HydrophobicContact CD1-SD 4.37Å; F73-M173 HydrophobicContact CE1-CE 4.17Å; F73-M173 HydrophobicContact CE1-SD 4.19Å; F73-M173 HydrophobicContact CE2-CE 4.5Å; F73-M173 HydrophobicContact CZ-CE 4.15Å; F73-K175 HydrophobicContact CE2-CB 4.03Å; F73-K175 HydrophobicContact CE2-CG 3.86Å; F73-K175 HydrophobicContact CZ-CB 3.81Å; F73-K175 HydrophobicContact CZ-CG 3.73Å; F73-Y194 HydrophobicContact CE2-CE2 4.26Å
74	E	76.9	Confident	91.3	Very high	102 Å²	102	43.1 Å²	43.1	48%	0.477	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	-47.6	133.9	179.3	-169.3	159.2	-159.3	0	0	111.7	S76 R107	E74-S76 PolarHBondContact O-N 3.45Å; E74-R107 VanDerWaalsContact CD-CZ 3.49Å; E74-R107 IonicContact OE1-CZ 3.45Å; E74-R107 VanDerWaalsContact OE1-CZ 3.24Å; E74-R107 IonicContact OE1-NE 2.8Å; E74-R107 IonicContact OE1-NH1 2.62Å; E74-R107 PolarHBondContact OE1-NH1 2.58Å; E74-R107 IonicContact OE1-NH2 3.24Å; E74-R107 PolarHBondContact OE1-NH2 3.06Å; E74-R107 VanDerWaalsContact OE1-NH2 3.15Å; E74-R107 IonicContact OE2-CZ 3.72Å; E74-R107 IonicContact OE2-NH1 3.73Å; E74-R107 IonicContact OE2-NH2 3.57Å; E74-R107 PolarHBondContact OE2-NH2 3.13Å
75	D	71.4	Confident	91.2	Very high	164 Å²	164	41.7 Å²	41.7	88%	0.877	20%	0.2	S	C	*	.	T	Hydrogen-bonded Turn	trans	58.2	12.7	-178.2	-56.3	-38.6	0	0	0	117.2	F73	F73-D75 PolarHBondContact O-N 3.28Å
76	S	75.4	Confident	91.1	Very high	20 Å²	20	42.2 Å²	42.2	14%	0.14	21%	0.206	C	C	.	.			trans	-105.7	153.1	179.5	-64.8	0	0	0	0	112.9	F73 E74 L109	F73-S76 WeakPolarHBondContact O-CB 3.49Å; F73-S76 PolarHBondContact O-N 3.48Å; E74-S76 PolarHBondContact O-N 3.45Å; S76-L109 WeakPolarHBondContact O-CD1 3.38Å
77	K	88.4	Confident	91.1	Very high	113 Å²	113	42.2 Å²	42.2	49%	0.491	21%	0.206	S	C	.	.			trans	-85.4	125.7	163.2	-56.9	-170.9	-177.5	-142.6	0	108.1	E110	K77-E110 WeakPolarHBondContact CD-OE2 3.26Å; K77-E110 WeakPolarHBondContact CE-OE2 3.42Å; K77-E110 HydrophobicContact CG-CB 4.26Å; K77-E110 IonicContact NZ-OE1 3.44Å; K77-E110 PolarHBondContact NZ-OE1 3.3Å; K77-E110 IonicContact NZ-OE2 2.79Å; K77-E110 PolarHBondContact NZ-OE2 2.93Å
78	I	94.1	Very high	91.3	Very high	1 Å²	1	43.2 Å²	43.2	1%	0.005	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	130.1	-177.7	-167.6	173.8	0	0	0	110.7	V69 F73 V80 L109 E110 T111 R112 S145 L147	V69-I78 HydrophobicContact CG1-CD1 3.87Å; F73-I78 HydrophobicContact CD1-CB 4.06Å; F73-I78 HydrophobicContact CD1-CD1 3.64Å; F73-I78 HydrophobicContact CD1-CG1 3.72Å; F73-I78 HydrophobicContact CD2-CD1 4.07Å; F73-I78 HydrophobicContact CE1-CB 4.44Å; F73-I78 HydrophobicContact CE1-CD1 3.68Å; F73-I78 HydrophobicContact CE1-CG1 3.65Å; F73-I78 HydrophobicContact CE2-CD1 4.11Å; F73-I78 HydrophobicContact CG-CD1 3.83Å; F73-I78 HydrophobicContact CG-CG1 4.39Å; F73-I78 HydrophobicContact CZ-CD1 3.91Å; F73-I78 HydrophobicContact CZ-CG1 4.29Å; I78-V80 HydrophobicContact CD1-CG2 4.39Å; I78-V80 HydrophobicContact CG1-CG2 4.33Å; I78-L109 HydrophobicContact CB-CD2 4.41Å; I78-L109 HydrophobicContact CB-CG 4.48Å; I78-L109 HydrophobicContact CD1-CD2 4.32Å; I78-L109 HydrophobicContact CG2-CD1 4.47Å; I78-L109 HydrophobicContact CG2-CD2 3.84Å; I78-L109 HydrophobicContact CG2-CG 3.84Å; I78-E110 PolarHBondContact N-O 3.2Å; I78-T111 HydrophobicContact CG2-CG2 3.96Å; I78-T111 VanDerWaalsContact CG2-OG1 3.26Å; I78-T111 WeakPolarHBondContact CG2-OG1 3.41Å; I78-R112 PolarHBondContact O-N 2.82Å; I78-S145 WeakPolarHBondContact CA-O 3.47Å; I78-L147 HydrophobicContact CD1-CB 3.68Å; I78-L147 HydrophobicContact CD1-CD2 3.89Å; I78-L147 HydrophobicContact CD1-CG 4.41Å; I78-L147 HydrophobicContact CG1-CB 4Å
79	M	95.8	Very high	91.5	Very high	12 Å²	12	44.5 Å²	44.5	6%	0.059	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	103.9	168.2	-67.5	-62.6	-47.8	0	0	108.2	R112 E114 F140 L141 K144 S145 V146 L147	M79-R112 HydrophobicContact CE-CB 3.85Å; M79-R112 HydrophobicContact SD-CB 3.63Å; M79-R112 HydrophobicContact SD-CG 4.22Å; M79-E114 HydrophobicContact CE-CG 3.68Å; M79-F140 HydrophobicContact CE-CD2 3.84Å; M79-F140 HydrophobicContact CE-CE2 4.18Å; M79-L141 HydrophobicContact CB-CD2 4.06Å; M79-L141 HydrophobicContact CG-CD2 4.47Å; M79-K144 HydrophobicContact CB-CB 4.42Å; M79-K144 HydrophobicContact CG-CB 3.59Å; M79-K144 HydrophobicContact CG-CG 3.79Å; M79-S145 PolarHBondContact N-O 3.06Å; M79-V146 HydrophobicContact CB-CG2 4.44Å; M79-V146 CarbonylContact O-C 3.44Å; M79-V146 VanDerWaalsContact O-CA 3.31Å; M79-V146 WeakPolarHBondContact O-CA 3.27Å; M79-L147 PolarHBondContact O-N 3.36Å
80	V	97.1	Very high	91.7	Very high	1 Å²	1	44.6 Å²	44.6	1%	0.006	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	119	174.7	176.8	0	0	0	0	108.4	I78 V95 T111 R112 V113 E114 L147 V149	I78-V80 HydrophobicContact CD1-CG2 4.39Å; I78-V80 HydrophobicContact CG1-CG2 4.33Å; V80-V95 HydrophobicContact CG1-CG2 4.12Å; V80-V95 HydrophobicContact CG2-CG2 4.23Å; V80-T111 HydrophobicContact CB-CG2 4.49Å; V80-T111 HydrophobicContact CG2-CG2 3.67Å; V80-R112 PolarHBondContact N-O 3.45Å; V80-V113 HydrophobicContact CB-CG2 4.29Å; V80-V113 HydrophobicContact CG1-CG1 4.48Å; V80-V113 CarbonylContact O-C 3.57Å; V80-V113 WeakPolarHBondContact O-CA 3.49Å; V80-E114 PolarHBondContact O-N 3.09Å; V80-L147 CarbonylContact C-O 3.59Å; V80-L147 WeakPolarHBondContact CA-O 3.47Å; V80-L147 HydrophobicContact CG2-CB 4.5Å; V80-L147 HydrophobicContact CG2-CD2 4.4Å; V80-V149 HydrophobicContact CG1-CG2 3.73Å
81	L	96.4	Very high	92	Very high	0 Å²	0	44 Å²	44	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	102	176	-175.4	64.3	0	0	0	109.2	E114 I116 L141 V146 L147 V148 V149 V166	L81-E114 WeakPolarHBondContact CA-O 3.44Å; L81-E114 HydrophobicContact CD1-CB 4.08Å; L81-I116 HydrophobicContact CD1-CB 4.08Å; L81-I116 HydrophobicContact CD1-CG2 3.96Å; L81-I116 HydrophobicContact CD2-CG2 4.11Å; L81-I116 HydrophobicContact CG-CB 4.49Å; L81-I116 HydrophobicContact CG-CG2 3.84Å; L81-L141 HydrophobicContact CD2-CD1 4.32Å; L81-V146 HydrophobicContact CB-CG1 4.23Å; L81-L147 PolarHBondContact N-O 3.42Å; L81-V148 HydrophobicContact CD2-CG2 4.5Å; L81-V148 WeakPolarHBondContact O-CA 3.5Å; L81-V149 PolarHBondContact O-N 3.26Å; L81-V166 HydrophobicContact CD2-CG2 3.91Å
82	C	96.8	Very high	92.4	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83	126.3	-179.5	-179	0	0	0	0	111.3	L84 C91 E114 F115 I116	C82-L84 PolarHBondContact O-N 2.89Å; C82-C91 HydrophobicContact CB-CB 3.98Å; C82-C91 WeakPolarHBondContact SG-CB 3.29Å; C82-E114 PolarHBondContact N-O 2.86Å; C82-F115 HydrophobicContact CB-CD1 3.59Å; C82-F115 HydrophobicContact CB-CE1 3.87Å; C82-F115 HydrophobicContact CB-CG 4.46Å; C82-F115 WeakPolarHBondContact O-CA 3.5Å; C82-I116 PolarHBondContact O-N 3.42Å
83	V	94.8	Very high	92.7	Very high	4 Å²	4	37.9 Å²	37.9	2%	0.024	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	110.3	174.4	-170.2	0	0	0	0	110.4	G87 I116 L118 V148 V149 E150 L162	V83-G87 VanDerWaalsContact O-CA 3.25Å; V83-G87 WeakPolarHBondContact O-CA 3.16Å; V83-G87 PolarHBondContact O-N 3.05Å; V83-I116 CarbonylContact C-O 3.54Å; V83-I116 WeakPolarHBondContact CA-O 3.48Å; V83-I116 HydrophobicContact CG2-CG2 4.08Å; V83-L118 HydrophobicContact CG1-CB 4.13Å; V83-L118 HydrophobicContact CG1-CD1 3.89Å; V83-L118 HydrophobicContact CG1-CG 3.99Å; V83-V148 HydrophobicContact CG2-CG1 3.96Å; V83-V149 PolarHBondContact N-O 3.26Å; V83-E150 WeakPolarHBondContact CB-OE2 3.24Å; V83-E150 WeakPolarHBondContact CG1-OE2 3.18Å; V83-E150 WeakPolarHBondContact CG2-OE2 3.27Å; V83-L162 HydrophobicContact CG2-CD2 3.6Å
84	L	94.8	Very high	93.1	Very high	50 Å²	50	38 Å²	38	26%	0.262	19%	0.193	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	150.8	178.1	-68.1	-179	0	0	0	112	C82 F115 I116 R117 L118	C82-L84 PolarHBondContact O-N 2.89Å; L84-F115 HydrophobicContact CD1-CB 3.77Å; L84-F115 HydrophobicContact CD1-CD1 4.01Å; L84-F115 HydrophobicContact CD1-CG 4.18Å; L84-F115 HydrophobicContact CD2-CD1 3.87Å; L84-F115 HydrophobicContact CD2-CE1 4.46Å; L84-F115 HydrophobicContact CG-CB 4.16Å; L84-F115 HydrophobicContact CG-CD1 3.94Å; L84-F115 HydrophobicContact CG-CG 4.48Å; L84-I116 PolarHBondContact N-O 2.97Å; L84-R117 HydrophobicContact CB-CB 4.24Å; L84-R117 HydrophobicContact CB-CG 4.43Å; L84-L118 PolarHBondContact O-N 2.95Å
85	K	94.3	Very high	94.1	Very high	80 Å²	80	34 Å²	34	35%	0.348	18%	0.176	S	C	.	.	T	Hydrogen-bonded Turn	cis	-86.7	-40	0.1	-66.4	-176.9	-176.2	178.7	0	112.7	G87 Y88 E213	K85-G87 PolarHBondContact O-N 3.4Å; K85-Y88 VanDerWaalsContact O-CD1 3.25Å; K85-Y88 WeakPolarHBondContact O-CD1 3.35Å; K85-Y88 PolarHBondContact O-N 3.29Å; K85-E213 WeakPolarHBondContact CD-OE2 3.49Å; K85-E213 IonicContact NZ-OE2 3.74Å; K85-E213 PolarHBondContact NZ-OE2 3.43Å
86	G	94.8	Very high	95.4	Very high	13 Å²	13	30 Å²	30	13%	0.134	15%	0.152	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.7	-35.1	-167.7	0	0	0	0	0	115.3	Y88 A151 A208	G86-Y88 VanDerWaalsContact C-N 3.26Å; G86-Y88 PolarHBondContact O-N 3.25Å; G86-A151 VanDerWaalsContact C-CB 3.49Å; G86-A151 WeakPolarHBondContact O-CB 3.19Å; G86-A208 WeakPolarHBondContact CA-O 3.31Å; G86-A208 VanDerWaalsContact O-CB 3.27Å; G86-A208 WeakPolarHBondContact O-CB 3.2Å
87	G	95.9	Very high	96.4	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	15%	0.153	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.2	-10.8	-178.9	0	0	0	0	0	115.8	V83 K85 K89 F90 C91	V83-G87 VanDerWaalsContact O-CA 3.25Å; V83-G87 WeakPolarHBondContact O-CA 3.16Å; V83-G87 PolarHBondContact O-N 3.05Å; K85-G87 PolarHBondContact O-N 3.4Å; G87-K89 VanDerWaalsContact C-N 3.35Å; G87-K89 PolarHBondContact O-N 3.06Å; G87-F90 PolarHBondContact O-N 2.98Å; G87-C91 WeakPolarHBondContact O-CB 3.48Å; G87-C91 PolarHBondContact O-N 3.02Å
88	Y	97.7	Very high	96.7	Very high	102 Å²	102	25.6 Å²	25.6	40%	0.4	13%	0.13	S	C	.	.	H	α-helix	trans	-60	-42.7	-169	88.3	-96.3	0	0	0	112.9	K85 G86 A92 A208	K85-Y88 VanDerWaalsContact O-CD1 3.25Å; K85-Y88 WeakPolarHBondContact O-CD1 3.35Å; K85-Y88 PolarHBondContact O-N 3.29Å; G86-Y88 VanDerWaalsContact C-N 3.26Å; G86-Y88 PolarHBondContact O-N 3.25Å; Y88-A92 WeakPolarHBondContact O-CB 3.35Å; Y88-A92 PolarHBondContact O-N 2.9Å; Y88-A208 HydrophobicContact CD1-CB 3.56Å; Y88-A208 HydrophobicContact CE1-CB 3.18Å; Y88-A208 HydrophobicContact CG-CB 4.48Å
89	K	98.4	Very high	96.7	Very high	59 Å²	59	29.7 Å²	29.7	26%	0.257	15%	0.148	S	C	.	.	H	α-helix	trans	-74	-45.5	-174.7	-175.8	56.4	178.2	142.9	0	111.5	G87 C91 A92 D93 Y207 A208	G87-K89 VanDerWaalsContact C-N 3.35Å; G87-K89 PolarHBondContact O-N 3.06Å; K89-C91 VanDerWaalsContact C-N 3.34Å; K89-C91 PolarHBondContact O-N 2.9Å; K89-A92 PolarHBondContact O-N 2.83Å; K89-D93 VanDerWaalsContact CE-OD2 3.27Å; K89-D93 WeakPolarHBondContact CE-OD2 3.25Å; K89-D93 VanDerWaalsContact NZ-CG 3.32Å; K89-D93 IonicContact NZ-OD1 2.67Å; K89-D93 PolarHBondContact NZ-OD1 2.68Å; K89-D93 IonicContact NZ-OD2 3.65Å; K89-D93 PolarHBondContact NZ-OD2 3.5Å; K89-D93 PolarHBondContact O-N 3.06Å; K89-Y207 HydrophobicContact CB-CE1 4.44Å; K89-Y207 HydrophobicContact CD-CE2 4.43Å; K89-Y207 HydrophobicContact CG-CD1 4.38Å; K89-Y207 HydrophobicContact CG-CD2 3.9Å; K89-Y207 HydrophobicContact CG-CE1 4.1Å; K89-Y207 HydrophobicContact CG-CE2 3.58Å; K89-Y207 HydrophobicContact CG-CG 4.29Å; K89-A208 HydrophobicContact CB-CB 3.65Å
90	F	98.6	Very high	96.6	Very high	1 Å²	1	32.1 Å²	32.1	0%	0.004	16%	0.163	C	C	.	.	H	α-helix	trans	-58.2	-45.2	172.9	173.2	-139.9	0	0	0	111.9	I62 L65 G87 D93 L94 V149 E150 A177 L179 Y207	I62-F90 HydrophobicContact CD1-CD2 3.7Å; I62-F90 HydrophobicContact CD1-CE2 4.22Å; I62-F90 HydrophobicContact CG1-CD2 3.85Å; I62-F90 HydrophobicContact CG1-CE2 3.84Å; I62-F90 HydrophobicContact CG2-CD2 4.45Å; I62-F90 HydrophobicContact CG2-CE2 4.23Å; L65-F90 HydrophobicContact CD1-CE2 4.17Å; L65-F90 HydrophobicContact CD1-CZ 4.04Å; G87-F90 PolarHBondContact O-N 2.98Å; F90-D93 PolarHBondContact O-N 2.86Å; F90-L94 HydrophobicContact CD2-CB 4.44Å; F90-L94 HydrophobicContact CE2-CB 4.2Å; F90-L94 HydrophobicContact CE2-CD2 4.29Å; F90-L94 HydrophobicContact CZ-CD2 4.13Å; F90-L94 VanDerWaalsContact O-CB 3.25Å; F90-L94 WeakPolarHBondContact O-CB 3.49Å; F90-L94 PolarHBondContact O-N 3Å; F90-V149 HydrophobicContact CD1-CG1 3.37Å; F90-V149 HydrophobicContact CE1-CG1 3.52Å; F90-V149 HydrophobicContact CG-CG1 4.12Å; F90-V149 HydrophobicContact CZ-CG1 4.35Å; F90-E150 WeakPolarHBondContact CD1-O 3.33Å; F90-E150 WeakPolarHBondContact CE1-O 3.17Å; F90-A177 HydrophobicContact CE1-CB 4.13Å; F90-A177 HydrophobicContact CZ-CB 4.06Å; F90-L179 HydrophobicContact CB-CB 4.36Å; F90-L179 HydrophobicContact CB-CD2 4.29Å; F90-L179 HydrophobicContact CD1-CB 3.67Å; F90-L179 HydrophobicContact CD2-CB 4.08Å; F90-L179 HydrophobicContact CD2-CD1 4.22Å; F90-L179 HydrophobicContact CE1-CB 3.87Å; F90-L179 HydrophobicContact CE2-CB 4.3Å; F90-L179 HydrophobicContact CE2-CD1 4.33Å; F90-L179 HydrophobicContact CG-CB 3.77Å; F90-L179 HydrophobicContact CG-CD2 4.41Å; F90-L179 HydrophobicContact CZ-CB 4.2Å; F90-Y207 HydrophobicContact CB-CE1 4.03Å
91	C	98.6	Very high	96.4	Very high	3 Å²	3	33.6 Å²	33.6	2%	0.02	17%	0.171	C	C	.	.	H	α-helix	trans	-60.5	-48	177.2	-179.9	0	0	0	0	112.1	C82 G87 K89 D93 L94 V95 V149	C82-C91 HydrophobicContact CB-CB 3.98Å; C82-C91 WeakPolarHBondContact SG-CB 3.29Å; G87-C91 WeakPolarHBondContact O-CB 3.48Å; G87-C91 PolarHBondContact O-N 3.02Å; K89-C91 VanDerWaalsContact C-N 3.34Å; K89-C91 PolarHBondContact O-N 2.9Å; C91-D93 VanDerWaalsContact C-N 3.34Å; C91-D93 PolarHBondContact O-N 2.77Å; C91-L94 PolarHBondContact O-N 2.96Å; C91-V95 WeakPolarHBondContact O-CB 3.32Å; C91-V95 VanDerWaalsContact O-CG2 3.29Å; C91-V95 WeakPolarHBondContact O-CG2 3.43Å; C91-V95 PolarHBondContact O-N 2.86Å; C91-V149 HydrophobicContact CB-CB 4.25Å; C91-V149 HydrophobicContact CB-CG1 3.83Å
92	A	98.5	Very high	96	Very high	53 Å²	53	33.9 Å²	33.9	44%	0.438	17%	0.174	S	C	.	.	H	α-helix	trans	-57.5	-47.9	179	0	0	0	0	0	111.6	Y88 K89 E96	Y88-A92 WeakPolarHBondContact O-CB 3.35Å; Y88-A92 PolarHBondContact O-N 2.9Å; K89-A92 PolarHBondContact O-N 2.83Å; A92-E96 WeakPolarHBondContact O-CB 3.2Å; A92-E96 PolarHBondContact O-N 3.14Å
93	D	98.6	Very high	95.6	Very high	18 Å²	18	43 Å²	43	10%	0.096	21%	0.208	C	C	.	.	H	α-helix	trans	-70.3	-39.1	-177.9	-65.7	-15.8	0	0	0	111.5	M59 I62 K89 F90 C91 E96 F97 Y207	M59-D93 HydrophobicContact CE-CB 4.18Å; M59-D93 HydrophobicContact SD-CB 4.36Å; I62-D93 HydrophobicContact CD1-CB 4.13Å; K89-D93 VanDerWaalsContact CE-OD2 3.27Å; K89-D93 WeakPolarHBondContact CE-OD2 3.25Å; K89-D93 VanDerWaalsContact NZ-CG 3.32Å; K89-D93 IonicContact NZ-OD1 2.67Å; K89-D93 PolarHBondContact NZ-OD1 2.68Å; K89-D93 IonicContact NZ-OD2 3.65Å; K89-D93 PolarHBondContact NZ-OD2 3.5Å; K89-D93 PolarHBondContact O-N 3.06Å; F90-D93 PolarHBondContact O-N 2.86Å; C91-D93 VanDerWaalsContact C-N 3.34Å; C91-D93 PolarHBondContact O-N 2.77Å; D93-E96 PolarHBondContact O-N 3.48Å; D93-F97 WeakPolarHBondContact O-CD2 3.25Å; D93-F97 PolarHBondContact O-N 3.04Å; D93-Y207 WeakPolarHBondContact CB-OH 3.47Å; D93-Y207 PolarHBondContact OD2-OH 2.85Å
94	L	98.4	Very high	95.1	Very high	2 Å²	2	47.5 Å²	47.5	1%	0.01	24%	0.24	C	C	.	.	H	α-helix	trans	-62.3	-47.1	175.3	-178.6	64.9	0	0	0	112	I62 L65 A66 F90 C91 E96 F97 I98 L147 V149 A177	I62-L94 VanDerWaalsContact CG2-CA 3.49Å; I62-L94 HydrophobicContact CG2-CB 3.87Å; I62-L94 HydrophobicContact CG2-CD1 3.97Å; L65-L94 HydrophobicContact CB-CD1 4.18Å; A66-L94 HydrophobicContact CB-CD1 4Å; F90-L94 HydrophobicContact CD2-CB 4.44Å; F90-L94 HydrophobicContact CE2-CB 4.2Å; F90-L94 HydrophobicContact CE2-CD2 4.29Å; F90-L94 HydrophobicContact CZ-CD2 4.13Å; F90-L94 VanDerWaalsContact O-CB 3.25Å; F90-L94 WeakPolarHBondContact O-CB 3.49Å; F90-L94 PolarHBondContact O-N 3Å; C91-L94 PolarHBondContact O-N 2.96Å; L94-E96 VanDerWaalsContact C-N 3.3Å; L94-E96 PolarHBondContact O-N 3.04Å; L94-F97 PolarHBondContact O-N 3.5Å; L94-I98 HydrophobicContact CG-CD1 4.17Å; L94-I98 WeakPolarHBondContact O-CG1 3.49Å; L94-I98 PolarHBondContact O-N 3.45Å; L94-L147 HydrophobicContact CD2-CD2 4.17Å; L94-V149 HydrophobicContact CD2-CG1 4.41Å; L94-V149 HydrophobicContact CD2-CG2 4.07Å; L94-A177 HydrophobicContact CD2-CB 4.13Å
95	V	97.8	Very high	94.4	Very high	19 Å²	19	48.1 Å²	48.1	12%	0.115	25%	0.248	C	C	.	.	H	α-helix	trans	-63.5	-37.9	177.2	170.4	0	0	0	0	110.9	V80 C91 I98 K99 T111 V113	V80-V95 HydrophobicContact CG1-CG2 4.12Å; V80-V95 HydrophobicContact CG2-CG2 4.23Å; C91-V95 WeakPolarHBondContact O-CB 3.32Å; C91-V95 VanDerWaalsContact O-CG2 3.29Å; C91-V95 WeakPolarHBondContact O-CG2 3.43Å; C91-V95 PolarHBondContact O-N 2.86Å; V95-I98 PolarHBondContact O-N 3Å; V95-K99 HydrophobicContact CG1-CD 4.01Å; V95-K99 VanDerWaalsContact O-CG 3.29Å; V95-K99 WeakPolarHBondContact O-CG 3.49Å; V95-K99 PolarHBondContact O-N 3.28Å; V95-T111 HydrophobicContact CG1-CG2 4.32Å; V95-T111 HydrophobicContact CG2-CG2 4.5Å; V95-V113 HydrophobicContact CG1-CG2 4.3Å; V95-V113 HydrophobicContact CG2-CG2 4.15Å
96	E	97.6	Very high	93.5	Very high	80 Å²	80	52.1 Å²	52.1	37%	0.374	27%	0.274	S	S	.	.	H	α-helix	trans	-63.5	-45.8	175.7	-171.3	57.1	-149.5	0	0	111.6	A92 D93 L94 I98 K99 V100	A92-E96 WeakPolarHBondContact O-CB 3.2Å; A92-E96 PolarHBondContact O-N 3.14Å; D93-E96 PolarHBondContact O-N 3.48Å; L94-E96 VanDerWaalsContact C-N 3.3Å; L94-E96 PolarHBondContact O-N 3.04Å; E96-I98 PolarHBondContact O-N 3.19Å; E96-K99 WeakPolarHBondContact O-CB 3.25Å; E96-K99 PolarHBondContact O-N 3.3Å; E96-K99 IonicContact OE2-NZ 3.88Å; E96-K99 PolarHBondContact OE2-NZ 3.03Å; E96-V100 WeakPolarHBondContact O-CG2 3.39Å; E96-V100 PolarHBondContact O-N 3.24Å
97	F	97.3	Very high	92.8	Very high	37 Å²	37	56.1 Å²	56.1	16%	0.162	29%	0.285	C	S	.	.	H	α-helix	trans	-63.4	-39.4	175.9	-77.3	-60.7	0	0	0	112.9	M59 I62 E63 A66 D93 L94 K99 V100 L101	M59-F97 HydrophobicContact CB-CZ 4.49Å; M59-F97 HydrophobicContact CE-CE2 3.63Å; M59-F97 HydrophobicContact CE-CZ 3.8Å; M59-F97 WeakPolarHBondContact O-CE2 3.21Å; I62-F97 HydrophobicContact CB-CD2 4.14Å; I62-F97 HydrophobicContact CB-CE2 4.12Å; I62-F97 HydrophobicContact CG2-CD2 3.65Å; I62-F97 HydrophobicContact CG2-CE2 4.1Å; E63-F97 HydrophobicContact CB-CD1 3.87Å; E63-F97 HydrophobicContact CB-CD2 4.27Å; E63-F97 HydrophobicContact CB-CE1 3.71Å; E63-F97 HydrophobicContact CB-CE2 4.12Å; E63-F97 HydrophobicContact CB-CG 4.14Å; E63-F97 HydrophobicContact CB-CZ 3.83Å; E63-F97 HydrophobicContact CG-CD1 3.62Å; E63-F97 HydrophobicContact CG-CE1 3.66Å; E63-F97 HydrophobicContact CG-CG 4.25Å; E63-F97 HydrophobicContact CG-CZ 4.3Å; A66-F97 HydrophobicContact CB-CB 3.52Å; D93-F97 WeakPolarHBondContact O-CD2 3.25Å; D93-F97 PolarHBondContact O-N 3.04Å; L94-F97 PolarHBondContact O-N 3.5Å; F97-K99 VanDerWaalsContact C-N 3.33Å; F97-K99 PolarHBondContact O-N 3.27Å; F97-V100 PolarHBondContact O-N 2.91Å; F97-L101 WeakPolarHBondContact O-CB 3.12Å; F97-L101 VanDerWaalsContact O-CG 3.24Å; F97-L101 WeakPolarHBondContact O-CG 3.44Å; F97-L101 PolarHBondContact O-N 3.31Å
98	I	95.1	Very high	92.3	Very high	3 Å²	3	65 Å²	65	2%	0.015	32%	0.32	C	S	.	.	H	α-helix	trans	-56.8	-47.3	172.2	-73.5	168.4	0	0	0	110.4	A66 V69 M70 L94 V95 E96 L101 G102 L109	A66-I98 HydrophobicContact CB-CG1 4Å; V69-I98 HydrophobicContact CB-CD1 4.31Å; V69-I98 HydrophobicContact CG1-CD1 3.75Å; V69-I98 HydrophobicContact CG1-CG1 4.48Å; M70-I98 HydrophobicContact SD-CB 4.5Å; M70-I98 HydrophobicContact SD-CG2 3.77Å; L94-I98 HydrophobicContact CG-CD1 4.17Å; L94-I98 WeakPolarHBondContact O-CG1 3.49Å; L94-I98 PolarHBondContact O-N 3.45Å; V95-I98 PolarHBondContact O-N 3Å; E96-I98 PolarHBondContact O-N 3.19Å; I98-L101 PolarHBondContact O-N 2.96Å; I98-G102 PolarHBondContact O-N 3.16Å; I98-L109 HydrophobicContact CG2-CD2 4.1Å
99	K	93.3	Very high	91.8	Very high	86 Å²	86	60.9 Å²	60.9	37%	0.374	30%	0.304	S	S	.	.	H	α-helix	trans	-61.4	-45.2	177.5	-72.4	162.1	59.5	-160.5	0	112.2	V95 E96 F97 G102 R103	V95-K99 HydrophobicContact CG1-CD 4.01Å; V95-K99 VanDerWaalsContact O-CG 3.29Å; V95-K99 WeakPolarHBondContact O-CG 3.49Å; V95-K99 PolarHBondContact O-N 3.28Å; E96-K99 WeakPolarHBondContact O-CB 3.25Å; E96-K99 PolarHBondContact O-N 3.3Å; E96-K99 IonicContact OE2-NZ 3.88Å; E96-K99 PolarHBondContact OE2-NZ 3.03Å; F97-K99 VanDerWaalsContact C-N 3.33Å; F97-K99 PolarHBondContact O-N 3.27Å; K99-G102 PolarHBondContact O-N 3.49Å; K99-R103 WeakPolarHBondContact O-CG 3.37Å; K99-R103 PolarHBondContact O-N 3.15Å; K99-R103 VanDerWaalsContact O-N 3.1Å
100	V	93.9	Very high	91.4	Very high	63 Å²	63	60.6 Å²	60.6	38%	0.382	30%	0.304	S	S	.	.	H	α-helix	trans	-64.2	-45.9	179.9	170	0	0	0	0	111.1	E96 F97 R103 S104	E96-V100 WeakPolarHBondContact O-CG2 3.39Å; E96-V100 PolarHBondContact O-N 3.24Å; F97-V100 PolarHBondContact O-N 2.91Å; V100-R103 PolarHBondContact O-N 3.1Å; V100-S104 WeakPolarHBondContact O-CB 3.17Å; V100-S104 PolarHBondContact O-N 3.28Å; V100-S104 VanDerWaalsContact O-N 3.13Å; V100-S104 PolarHBondContact O-OG 3.39Å
101	L	92.3	Very high	91.2	Very high	33 Å²	33	62.2 Å²	62.2	17%	0.173	31%	0.314	C	S	.	.	H	α-helix	trans	-62.4	-43.9	177.5	-71.2	170.1	0	0	0	111.2	A66 R67 M70 F97 I98 R103 S104 S105	A66-L101 HydrophobicContact CB-CD1 3.74Å; R67-L101 HydrophobicContact CB-CD1 4.42Å; R67-L101 HydrophobicContact CG-CD1 3.59Å; R67-L101 HydrophobicContact CG-CD2 4.12Å; M70-L101 HydrophobicContact CG-CB 4.45Å; M70-L101 HydrophobicContact CG-CD1 4.39Å; F97-L101 WeakPolarHBondContact O-CB 3.12Å; F97-L101 VanDerWaalsContact O-CG 3.24Å; F97-L101 WeakPolarHBondContact O-CG 3.44Å; F97-L101 PolarHBondContact O-N 3.31Å; I98-L101 PolarHBondContact O-N 2.96Å; L101-R103 PolarHBondContact O-N 2.96Å; L101-S104 PolarHBondContact O-N 3.08Å; L101-S105 WeakPolarHBondContact O-CB 3.44Å; L101-S105 PolarHBondContact O-N 3.07Å; L101-S105 PolarHBondContact O-OG 3.04Å
102	G	89.1	Confident	91	Very high	6 Å²	6	68.7 Å²	68.7	6%	0.062	34%	0.338	C	S	.	.	H	α-helix	trans	-65.1	-38.4	-179.5	0	0	0	0	0	113.5	I98 K99 S104 R107	I98-G102 PolarHBondContact O-N 3.16Å; K99-G102 PolarHBondContact O-N 3.49Å; G102-S104 VanDerWaalsContact C-N 3.32Å; G102-S104 PolarHBondContact O-N 3.44Å; G102-R107 WeakPolarHBondContact CA-O 3.5Å
103	R	87.1	Confident	90.9	Very high	191 Å²	191	68.6 Å²	68.6	72%	0.721	33%	0.332	S	S	*	.	H	α-helix	trans	-64.1	-35.8	172.8	-72.4	173.3	-178.4	174.4	-0.2	112.8	K99 V100 L101	K99-R103 WeakPolarHBondContact O-CG 3.37Å; K99-R103 PolarHBondContact O-N 3.15Å; K99-R103 VanDerWaalsContact O-N 3.1Å; V100-R103 PolarHBondContact O-N 3.1Å; L101-R103 PolarHBondContact O-N 2.96Å
104	S	85.2	Confident	90.7	Very high	99 Å²	99	71.5 Å²	71.5	69%	0.692	35%	0.345	S	S	*	.	H	α-helix	trans	-88.1	-17.7	-172.4	-50.9	0	0	0	0	113.7	V100 L101 G102	V100-S104 WeakPolarHBondContact O-CB 3.17Å; V100-S104 PolarHBondContact O-N 3.28Å; V100-S104 VanDerWaalsContact O-N 3.13Å; V100-S104 PolarHBondContact O-OG 3.39Å; L101-S104 PolarHBondContact O-N 3.08Å; G102-S104 VanDerWaalsContact C-N 3.32Å; G102-S104 PolarHBondContact O-N 3.44Å
105	S	80.7	Confident	90.5	Very high	63 Å²	63	77.1 Å²	77.1	44%	0.441	37%	0.369	S	S	.	.	H	α-helix	trans	-114.6	5.3	-171.5	61.9	0	0	0	0	115.1	L101 R107	L101-S105 WeakPolarHBondContact O-CB 3.44Å; L101-S105 PolarHBondContact O-N 3.07Å; L101-S105 PolarHBondContact O-OG 3.04Å; S105-R107 PolarHBondContact O-N 2.74Å
106	N	74.7	Confident	90.2	Very high	164 Å²	164	76.5 Å²	76.5	88%	0.877	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.9	17.9	-171.7	-159	51	0	0	0	114.2
107	R	80.7	Confident	89.8	Confident	96 Å²	96	77.2 Å²	77.2	36%	0.362	36%	0.364	S	S	.	.			trans	-108.5	92.1	173.7	-70.5	176.9	65.5	150.6	-3	108	M70 E74 G102 S105	M70-R107 HydrophobicContact CE-CB 4.24Å; M70-R107 WeakPolarHBondContact CE-O 3.46Å; M70-R107 PolarHBondContact O-NH2 3.13Å; E74-R107 VanDerWaalsContact CD-CZ 3.49Å; E74-R107 IonicContact OE1-CZ 3.45Å; E74-R107 VanDerWaalsContact OE1-CZ 3.24Å; E74-R107 IonicContact OE1-NE 2.8Å; E74-R107 IonicContact OE1-NH1 2.62Å; E74-R107 PolarHBondContact OE1-NH1 2.58Å; E74-R107 IonicContact OE1-NH2 3.24Å; E74-R107 PolarHBondContact OE1-NH2 3.06Å; E74-R107 VanDerWaalsContact OE1-NH2 3.15Å; E74-R107 IonicContact OE2-CZ 3.72Å; E74-R107 IonicContact OE2-NH1 3.73Å; E74-R107 IonicContact OE2-NH2 3.57Å; E74-R107 PolarHBondContact OE2-NH2 3.13Å; G102-R107 WeakPolarHBondContact CA-O 3.5Å; S105-R107 PolarHBondContact O-N 2.74Å
108	Y	84.4	Confident	89.2	Confident	188 Å²	188	76.3 Å²	76.3	74%	0.737	36%	0.361	S	S	*	.			trans	-83.5	121.6	179.7	179.8	-104.5	0	0	0	111	E110	Y108-E110 HydrophobicContact CE1-CB 3.79Å; Y108-E110 HydrophobicContact CE1-CG 4.32Å
109	L	88.1	Confident	88.5	Confident	15 Å²	15	81.5 Å²	81.5	8%	0.079	38%	0.384	C	S	.	.			trans	-102.6	111.5	171.4	-171.3	67.2	0	0	0	108.9	M70 F73 S76 I78 I98 T111	M70-L109 HydrophobicContact CE-CB 4.09Å; M70-L109 HydrophobicContact SD-CB 3.66Å; M70-L109 HydrophobicContact SD-CD2 3.73Å; M70-L109 HydrophobicContact SD-CG 4.33Å; F73-L109 HydrophobicContact CB-CD1 3.93Å; F73-L109 HydrophobicContact CB-CD2 4.13Å; F73-L109 VanDerWaalsContact O-CD1 3.3Å; F73-L109 WeakPolarHBondContact O-CD1 3.43Å; S76-L109 WeakPolarHBondContact O-CD1 3.38Å; I78-L109 HydrophobicContact CB-CD2 4.41Å; I78-L109 HydrophobicContact CB-CG 4.48Å; I78-L109 HydrophobicContact CD1-CD2 4.32Å; I78-L109 HydrophobicContact CG2-CD1 4.47Å; I78-L109 HydrophobicContact CG2-CD2 3.84Å; I78-L109 HydrophobicContact CG2-CG 3.84Å; I98-L109 HydrophobicContact CG2-CD2 4.1Å; L109-T111 PolarHBondContact O-N 3.06Å; L109-T111 VanDerWaalsContact O-N 3.11Å; L109-T111 PolarHBondContact O-OG1 3.19Å
110	E	90.5	Very high	87.4	Confident	53 Å²	53	78.2 Å²	78.2	25%	0.248	37%	0.371	C	S	.	.			trans	-70.6	107.2	177.5	-171.8	-173.4	149	0	0	109.5	K77 I78 Y108 R112	K77-E110 WeakPolarHBondContact CD-OE2 3.26Å; K77-E110 WeakPolarHBondContact CE-OE2 3.42Å; K77-E110 HydrophobicContact CG-CB 4.26Å; K77-E110 IonicContact NZ-OE1 3.44Å; K77-E110 PolarHBondContact NZ-OE1 3.3Å; K77-E110 IonicContact NZ-OE2 2.79Å; K77-E110 PolarHBondContact NZ-OE2 2.93Å; I78-E110 PolarHBondContact N-O 3.2Å; Y108-E110 HydrophobicContact CE1-CB 3.79Å; Y108-E110 HydrophobicContact CE1-CG 4.32Å; E110-R112 IonicContact OE1-NE 3.82Å; E110-R112 IonicContact OE1-NH2 2.69Å
111	T	93.3	Very high	86.5	Confident	34 Å²	34	78.5 Å²	78.5	21%	0.209	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	127.8	-177.1	-57.6	0	0	0	0	111.5	I78 V80 V95 L109 V113	I78-T111 HydrophobicContact CG2-CG2 3.96Å; I78-T111 VanDerWaalsContact CG2-OG1 3.26Å; I78-T111 WeakPolarHBondContact CG2-OG1 3.41Å; V80-T111 HydrophobicContact CB-CG2 4.49Å; V80-T111 HydrophobicContact CG2-CG2 3.67Å; V95-T111 HydrophobicContact CG1-CG2 4.32Å; V95-T111 HydrophobicContact CG2-CG2 4.5Å; L109-T111 PolarHBondContact O-N 3.06Å; L109-T111 VanDerWaalsContact O-N 3.11Å; L109-T111 PolarHBondContact O-OG1 3.19Å; T111-V113 HydrophobicContact CG2-CG2 4.21Å
112	R	94.7	Very high	85.6	Confident	140 Å²	140	81.2 Å²	81.2	53%	0.528	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	146.4	163.8	-64.2	-176	-175.9	-168.6	-3	109.3	I78 M79 V80 E110	I78-R112 PolarHBondContact O-N 2.82Å; M79-R112 HydrophobicContact CE-CB 3.85Å; M79-R112 HydrophobicContact SD-CB 3.63Å; M79-R112 HydrophobicContact SD-CG 4.22Å; V80-R112 PolarHBondContact N-O 3.45Å; E110-R112 IonicContact OE1-NE 3.82Å; E110-R112 IonicContact OE1-NH2 2.69Å
113	V	95.6	Very high	85.3	Confident	51 Å²	51	82.3 Å²	82.3	31%	0.309	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	127.8	-176.9	-174	0	0	0	0	109.2	V80 V95 T111 F115	V80-V113 HydrophobicContact CB-CG2 4.29Å; V80-V113 HydrophobicContact CG1-CG1 4.48Å; V80-V113 CarbonylContact O-C 3.57Å; V80-V113 WeakPolarHBondContact O-CA 3.49Å; V95-V113 HydrophobicContact CG1-CG2 4.3Å; V95-V113 HydrophobicContact CG2-CG2 4.15Å; T111-V113 HydrophobicContact CG2-CG2 4.21Å; V113-F115 HydrophobicContact CG1-CE1 4.31Å; V113-F115 HydrophobicContact CG1-CE2 4.05Å; V113-F115 HydrophobicContact CG1-CZ 3.8Å
114	E	94.7	Very high	84.8	Confident	79 Å²	79	75.9 Å²	75.9	37%	0.369	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	158.4	175	-69.7	-68.8	169.7	0	0	109.1	M79 V80 L81 C82 F140	M79-E114 HydrophobicContact CE-CG 3.68Å; V80-E114 PolarHBondContact O-N 3.09Å; L81-E114 WeakPolarHBondContact CA-O 3.44Å; L81-E114 HydrophobicContact CD1-CB 4.08Å; C82-E114 PolarHBondContact N-O 2.86Å; E114-F140 HydrophobicContact CB-CE2 3.78Å; E114-F140 HydrophobicContact CB-CZ 3.92Å; E114-F140 HydrophobicContact CG-CD2 4.05Å; E114-F140 HydrophobicContact CG-CE2 3.48Å; E114-F140 VanDerWaalsContact CG-CE2 3.48Å; E114-F140 HydrophobicContact CG-CZ 3.87Å
115	F	93.9	Very high	84.4	Confident	119 Å²	119	77.3 Å²	77.3	52%	0.522	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	136.9	-174.7	-59.5	-90	0	0	0	110.7	C82 L84 V113	C82-F115 HydrophobicContact CB-CD1 3.59Å; C82-F115 HydrophobicContact CB-CE1 3.87Å; C82-F115 HydrophobicContact CB-CG 4.46Å; C82-F115 WeakPolarHBondContact O-CA 3.5Å; L84-F115 HydrophobicContact CD1-CB 3.77Å; L84-F115 HydrophobicContact CD1-CD1 4.01Å; L84-F115 HydrophobicContact CD1-CG 4.18Å; L84-F115 HydrophobicContact CD2-CD1 3.87Å; L84-F115 HydrophobicContact CD2-CE1 4.46Å; L84-F115 HydrophobicContact CG-CB 4.16Å; L84-F115 HydrophobicContact CG-CD1 3.94Å; L84-F115 HydrophobicContact CG-CG 4.48Å; V113-F115 HydrophobicContact CG1-CE1 4.31Å; V113-F115 HydrophobicContact CG1-CE2 4.05Å; V113-F115 HydrophobicContact CG1-CZ 3.8Å
116	I	91.8	Very high	84.1	Confident	7 Å²	7	76.1 Å²	76.1	4%	0.036	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	141.2	170.3	-174	159.9	0	0	0	108.8	L81 C82 V83 L84 L118 I132 L138 L162	L81-I116 HydrophobicContact CD1-CB 4.08Å; L81-I116 HydrophobicContact CD1-CG2 3.96Å; L81-I116 HydrophobicContact CD2-CG2 4.11Å; L81-I116 HydrophobicContact CG-CB 4.49Å; L81-I116 HydrophobicContact CG-CG2 3.84Å; C82-I116 PolarHBondContact O-N 3.42Å; V83-I116 CarbonylContact C-O 3.54Å; V83-I116 WeakPolarHBondContact CA-O 3.48Å; V83-I116 HydrophobicContact CG2-CG2 4.08Å; L84-I116 PolarHBondContact N-O 2.97Å; I116-L118 HydrophobicContact CD1-CD2 4.38Å; I116-L118 HydrophobicContact CG1-CD2 4.27Å; I116-I132 HydrophobicContact CD1-CG2 3.92Å; I116-I132 HydrophobicContact CG1-CG2 4.07Å; I116-L138 HydrophobicContact CD1-CD1 4.24Å; I116-L162 HydrophobicContact CD1-CD1 3.8Å; I116-L162 HydrophobicContact CG2-CD1 4.38Å
117	R	90.3	Very high	84	Confident	94 Å²	94	70.7 Å²	70.7	36%	0.355	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	125.3	175.5	-175.1	178.1	-179.3	-173.2	-1.3	109.9	L84 I133	L84-R117 HydrophobicContact CB-CB 4.24Å; L84-R117 HydrophobicContact CB-CG 4.43Å; R117-I133 HydrophobicContact CB-CB 4.17Å; R117-I133 WeakPolarHBondContact CB-O 3.29Å; R117-I133 HydrophobicContact CG-CB 4.14Å; R117-I133 HydrophobicContact CG-CD1 4.4Å; R117-I133 PolarHBondContact O-N 2.83Å
118	L	84.9	Confident	83.3	Confident	18 Å²	18	74.7 Å²	74.7	9%	0.094	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	141.1	174.7	-61.6	-177.7	0	0	0	108.9	V83 L84 I116 L130 H131 I132 T158 L162	V83-L118 HydrophobicContact CG1-CB 4.13Å; V83-L118 HydrophobicContact CG1-CD1 3.89Å; V83-L118 HydrophobicContact CG1-CG 3.99Å; L84-L118 PolarHBondContact O-N 2.95Å; I116-L118 HydrophobicContact CD1-CD2 4.38Å; I116-L118 HydrophobicContact CG1-CD2 4.27Å; L118-L130 HydrophobicContact CB-CD1 3.96Å; L118-L130 HydrophobicContact CD1-CD1 4.26Å; L118-L130 HydrophobicContact CD1-CD2 4.42Å; L118-L130 HydrophobicContact CD2-CD1 4.17Å; L118-L130 HydrophobicContact CD2-CD2 4.16Å; L118-L130 HydrophobicContact CD2-CG 4.27Å; L118-L130 HydrophobicContact CG-CD1 4.35Å; L118-H131 WeakPolarHBondContact CA-O 3.26Å; L118-I132 HydrophobicContact CD2-CB 4.17Å; L118-I132 HydrophobicContact CD2-CD1 4.49Å; L118-I132 HydrophobicContact CD2-CG1 3.63Å; L118-I132 HydrophobicContact CD2-CG2 4.31Å; L118-T158 HydrophobicContact CB-CG2 4.31Å; L118-T158 HydrophobicContact CD1-CG2 3.64Å; L118-L162 HydrophobicContact CD1-CB 3.96Å; L118-L162 HydrophobicContact CD1-CD1 4.25Å; L118-L162 HydrophobicContact CD1-CD2 3.96Å; L118-L162 HydrophobicContact CD1-CG 4.27Å
119	K	78.6	Confident	82.4	Confident	113 Å²	113	71 Å²	71	49%	0.491	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	120.5	169.5	-167.4	180	-179.2	-174.1	0	108.9	H131 I133	K119-H131 PolarHBondContact N-O 2.79Å; K119-H131 PolarHBondContact O-N 2.82Å; K119-I133 HydrophobicContact CB-CD1 4.01Å
120	S	71.8	Confident	81.5	Confident	16 Å²	16	72.6 Å²	72.6	11%	0.112	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	7.8	-175.2	53	0	0	0	0	114.1	S126 T127 T158	S120-S126 CarbonylContact O-C 3.53Å; S120-S126 VanDerWaalsContact O-CA 3.29Å; S120-S126 WeakPolarHBondContact O-CA 3.35Å; S120-T127 VanDerWaalsContact C-OG1 3.27Å; S120-T127 WeakPolarHBondContact CA-OG1 3.41Å; S120-T127 PolarHBondContact O-N 2.75Å; S120-T127 PolarHBondContact O-OG1 2.97Å; S120-T158 WeakPolarHBondContact CB-OG1 3.27Å; S120-T158 PolarHBondContact OG-OG1 2.93Å
121	Y	73.6	Confident	80.6	Confident	69 Å²	69	75.2 Å²	75.2	27%	0.271	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	146.9	179.9	-79.7	-97.3	0	0	0	112.3	Q125 D154	Y121-Q125 WeakPolarHBondContact CA-O 3.41Å; Y121-Q125 WeakPolarHBondContact CD1-O 3.42Å; Y121-D154 WeakPolarHBondContact OH-CB 3.45Å; Y121-D154 PolarHBondContact OH-OD2 2.77Å
122	L	73.8	Confident	79.8	Confident	91 Å²	91	76.2 Å²	76.2	48%	0.476	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	123.2	163.8	-177.1	69	0	0	0	107.6	D124 Q125 T127 I234	L122-D124 PolarHBondContact O-N 3.09Å; L122-Q125 PolarHBondContact N-O 3.29Å; L122-Q125 VanDerWaalsContact N-O 3.09Å; L122-Q125 PolarHBondContact O-N 3.25Å; L122-T127 HydrophobicContact CB-CG2 4.15Å; L122-I234 HydrophobicContact CD1-CD1 3.67Å; L122-I234 HydrophobicContact CD1-CG1 4.06Å
123	N	83.8	Confident	78.8	Confident	28 Å²	28	73 Å²	73	15%	0.15	36%	0.357	C	S	.	.	T	Hydrogen-bonded Turn	trans	55.3	-123.7	-168.8	-64	-56.4	0	0	0	111.3	Y211 N212 I234	N123-Y211 HydrophobicContact CB-CE2 4.42Å; N123-N212 PolarHBondContact N-OD1 2.84Å; N123-N212 PolarHBondContact OD1-ND2 3.41Å; N123-I234 PolarHBondContact ND2-O 3.2Å; N123-I234 PolarHBondContact OD1-N 3.1Å; N123-I234 PolarHBondContact OD1-O 3.39Å
124	D	76.8	Confident	77.4	Confident	56 Å²	56	73.8 Å²	73.8	30%	0.299	38%	0.375	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104.5	13.5	179.4	64.5	-7.8	0	0	0	114.1	L122 F203 Y211 K229	L122-D124 PolarHBondContact O-N 3.09Å; D124-F203 HydrophobicContact CB-CD2 3.55Å; D124-F203 HydrophobicContact CB-CE2 3.6Å; D124-F203 HydrophobicContact CB-CG 4.34Å; D124-F203 HydrophobicContact CB-CZ 4.4Å; D124-Y211 HydrophobicContact CB-CE2 4.37Å; D124-K229 IonicContact OD2-NZ 3.62Å; D124-K229 PolarHBondContact OD2-NZ 3.42Å
125	Q	75.9	Confident	75.8	Confident	130 Å²	130	74.5 Å²	74.5	61%	0.607	39%	0.389	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-114.9	138	-178.4	-59.3	-61	-36.1	0	0	111.6	Y121 L122	Y121-Q125 WeakPolarHBondContact CA-O 3.41Å; Y121-Q125 WeakPolarHBondContact CD1-O 3.42Å; L122-Q125 PolarHBondContact N-O 3.29Å; L122-Q125 VanDerWaalsContact N-O 3.09Å; L122-Q125 PolarHBondContact O-N 3.25Å
126	S	73.6	Confident	74.7	Confident	37 Å²	37	72.5 Å²	72.5	26%	0.259	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.1	134.7	171	-176.9	0	0	0	0	109.8	S120	S120-S126 CarbonylContact O-C 3.53Å; S120-S126 VanDerWaalsContact O-CA 3.29Å; S120-S126 WeakPolarHBondContact O-CA 3.35Å
127	T	74.3	Confident	74.3	Confident	51 Å²	51	76 Å²	76	31%	0.313	41%	0.409	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84	160.4	173.9	60.1	0	0	0	0	111.3	S120 L122 D129	S120-T127 VanDerWaalsContact C-OG1 3.27Å; S120-T127 WeakPolarHBondContact CA-OG1 3.41Å; S120-T127 PolarHBondContact O-N 2.75Å; S120-T127 PolarHBondContact O-OG1 2.97Å; L122-T127 HydrophobicContact CB-CG2 4.15Å; T127-D129 PolarHBondContact OG1-O 3.22Å
128	E	66.1	Low	74.2	Confident	180 Å²	180	71.8 Å²	71.8	84%	0.841	39%	0.393	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-77.9	-36.3	176.5	-64.6	-166.1	156.5	0	0	112.4
129	D	64.9	Low	74.4	Confident	110 Å²	110	73.7 Å²	73.7	59%	0.588	41%	0.408	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-87.8	118.7	-179.2	-64.6	-38.9	0	0	0	111.3	T127 H131	T127-D129 PolarHBondContact OG1-O 3.22Å; D129-H131 PolarHBondContact O-N 2.92Å
130	L	68.1	Low	75	Confident	49 Å²	49	71.7 Å²	71.7	26%	0.257	40%	0.399	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	111	167.3	-178.2	70.1	0	0	0	108.9	L118 T158 A161	L118-L130 HydrophobicContact CB-CD1 3.96Å; L118-L130 HydrophobicContact CD1-CD1 4.26Å; L118-L130 HydrophobicContact CD1-CD2 4.42Å; L118-L130 HydrophobicContact CD2-CD1 4.17Å; L118-L130 HydrophobicContact CD2-CD2 4.16Å; L118-L130 HydrophobicContact CD2-CG 4.27Å; L118-L130 HydrophobicContact CG-CD1 4.35Å; L130-T158 HydrophobicContact CD1-CG2 3.81Å; L130-A161 HydrophobicContact CD2-CB 3.44Å; L130-A161 VanDerWaalsContact CD2-CB 3.44Å
131	H	72.1	Confident	76	Confident	107 Å²	107	71 Å²	71	50%	0.495	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	112.9	173.7	-63.7	-74.1	0	0	0	110.5	L118 K119 D129	L118-H131 WeakPolarHBondContact CA-O 3.26Å; K119-H131 PolarHBondContact N-O 2.79Å; K119-H131 PolarHBondContact O-N 2.82Å; D129-H131 PolarHBondContact O-N 2.92Å
132	I	77.3	Confident	77.1	Confident	56 Å²	56	74 Å²	74	29%	0.287	41%	0.406	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78	119.6	166	-51.5	-176.8	0	0	0	107.6	I116 L118	I116-I132 HydrophobicContact CD1-CG2 3.92Å; I116-I132 HydrophobicContact CG1-CG2 4.07Å; L118-I132 HydrophobicContact CD2-CB 4.17Å; L118-I132 HydrophobicContact CD2-CD1 4.49Å; L118-I132 HydrophobicContact CD2-CG1 3.63Å; L118-I132 HydrophobicContact CD2-CG2 4.31Å
133	I	72.6	Confident	78.1	Confident	72 Å²	72	72 Å²	72	37%	0.369	41%	0.406	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	112.4	-179.1	-56.9	174.1	0	0	0	108.1	R117 K119	R117-I133 HydrophobicContact CB-CB 4.17Å; R117-I133 WeakPolarHBondContact CB-O 3.29Å; R117-I133 HydrophobicContact CG-CB 4.14Å; R117-I133 HydrophobicContact CG-CD1 4.4Å; R117-I133 PolarHBondContact O-N 2.83Å; K119-I133 HydrophobicContact CB-CD1 4.01Å
134	G	67	Low	78.6	Confident	67 Å²	67	74.4 Å²	74.4	69%	0.691	42%	0.416	S	S	*	.	S	Bend	trans	129.7	-157.8	178.8	0	0	0	0	0	112.9	S136	G134-S136 PolarHBondContact O-N 3.34Å
135	S	61.3	Low	79.5	Confident	95 Å²	95	71.9 Å²	71.9	66%	0.664	40%	0.402	S	S	*	.			trans	-68.2	122.1	172.7	-174.8	0	0	0	0	109.6	D137	S135-D137 VanDerWaalsContact C-N 3.29Å; S135-D137 PolarHBondContact OG-N 2.8Å
136	S	70.1	Confident	80.5	Confident	76 Å²	76	65.7 Å²	65.7	53%	0.531	37%	0.373	S	S	.	.			trans	-80.1	-13	175.2	53.1	0	0	0	0	113	G134 L138 H165 F169	G134-S136 PolarHBondContact O-N 3.34Å; S136-L138 PolarHBondContact O-N 3.41Å; S136-H165 PolarHBondContact O-NE2 2.87Å; S136-H165 VanDerWaalsContact O-NE2 3.07Å; S136-F169 WeakPolarHBondContact O-CZ 3.38Å
137	D	82.8	Confident	81.6	Confident	81 Å²	81	64 Å²	64	43%	0.433	36%	0.361	S	S	.	.			trans	-76.8	111	178	-176.3	21.5	0	0	0	110.7	S135 S139 F169	S135-D137 VanDerWaalsContact C-N 3.29Å; S135-D137 PolarHBondContact OG-N 2.8Å; D137-S139 VanDerWaalsContact CG-OG 3.3Å; D137-S139 WeakPolarHBondContact OD1-CB 3.46Å; D137-S139 PolarHBondContact OD1-N 3.39Å; D137-S139 PolarHBondContact OD1-OG 2.97Å; D137-S139 VanDerWaalsContact OD1-OG 3.05Å; D137-S139 PolarHBondContact OD2-OG 3.28Å; D137-F169 WeakPolarHBondContact OD1-CE1 3.5Å
138	L	88.6	Confident	82.7	Confident	5 Å²	5	61.5 Å²	61.5	3%	0.026	35%	0.346	C	S	.	.			trans	-109.7	27.6	174.1	-54.5	178.6	0	0	0	111.2	I116 S136 F140 L141 V166 F169	I116-L138 HydrophobicContact CD1-CD1 4.24Å; S136-L138 PolarHBondContact O-N 3.41Å; L138-F140 HydrophobicContact CB-CE1 4.4Å; L138-F140 HydrophobicContact CB-CZ 4.46Å; L138-F140 HydrophobicContact CD2-CE1 3.81Å; L138-F140 HydrophobicContact CD2-CZ 3.64Å; L138-F140 PolarHBondContact O-N 3.22Å; L138-L141 HydrophobicContact CB-CD1 3.72Å; L138-L141 HydrophobicContact CB-CG 4.05Å; L138-L141 HydrophobicContact CD1-CD1 4.01Å; L138-L141 HydrophobicContact CG-CD1 4.38Å; L138-L141 VanDerWaalsContact O-CB 3.27Å; L138-L141 WeakPolarHBondContact O-CB 3.46Å; L138-L141 WeakPolarHBondContact O-CG 3.05Å; L138-L141 PolarHBondContact O-N 2.95Å; L138-V166 HydrophobicContact CD1-CG2 3.97Å; L138-F169 VanDerWaalsContact C-CD1 3.45Å; L138-F169 HydrophobicContact CB-CD1 4.33Å; L138-F169 HydrophobicContact CB-CD2 3.74Å; L138-F169 HydrophobicContact CB-CE1 4.34Å; L138-F169 HydrophobicContact CB-CE2 3.78Å; L138-F169 HydrophobicContact CB-CG 4.02Å; L138-F169 HydrophobicContact CB-CZ 4.08Å; L138-F169 HydrophobicContact CD1-CE2 4.38Å; L138-F169 HydrophobicContact CG-CE2 4.2Å; L138-F169 VanDerWaalsContact N-CE1 3.34Å
139	S	90.6	Very high	84.2	Confident	58 Å²	58	53 Å²	53	41%	0.406	31%	0.306	S	S	.	.	G	3₁₀ helix	trans	-53.4	-27.2	179.5	57.1	0	0	0	0	114.1	D137 L141 R142	D137-S139 VanDerWaalsContact CG-OG 3.3Å; D137-S139 WeakPolarHBondContact OD1-CB 3.46Å; D137-S139 PolarHBondContact OD1-N 3.39Å; D137-S139 PolarHBondContact OD1-OG 2.97Å; D137-S139 VanDerWaalsContact OD1-OG 3.05Å; D137-S139 PolarHBondContact OD2-OG 3.28Å; S139-L141 PolarHBondContact O-N 3.16Å; S139-R142 VanDerWaalsContact O-CB 3.29Å; S139-R142 WeakPolarHBondContact O-CB 3.27Å; S139-R142 PolarHBondContact O-N 3.46Å; S139-R142 VanDerWaalsContact O-N 3.14Å
140	F	90.1	Very high	85.6	Confident	71 Å²	71	48.9 Å²	48.9	31%	0.311	28%	0.284	S	S	.	.	G	3₁₀ helix	trans	-63.3	-15.4	173.9	62.3	-98.6	0	0	0	114.2	M79 E114 L138 K144	M79-F140 HydrophobicContact CE-CD2 3.84Å; M79-F140 HydrophobicContact CE-CE2 4.18Å; E114-F140 HydrophobicContact CB-CE2 3.78Å; E114-F140 HydrophobicContact CB-CZ 3.92Å; E114-F140 HydrophobicContact CG-CD2 4.05Å; E114-F140 HydrophobicContact CG-CE2 3.48Å; E114-F140 VanDerWaalsContact CG-CE2 3.48Å; E114-F140 HydrophobicContact CG-CZ 3.87Å; L138-F140 HydrophobicContact CB-CE1 4.4Å; L138-F140 HydrophobicContact CB-CZ 4.46Å; L138-F140 HydrophobicContact CD2-CE1 3.81Å; L138-F140 HydrophobicContact CD2-CZ 3.64Å; L138-F140 PolarHBondContact O-N 3.22Å; F140-K144 WeakPolarHBondContact O-CG 3.47Å
141	L	93.3	Very high	86.9	Confident	1 Å²	1	46.6 Å²	46.6	1%	0.005	27%	0.272	C	S	.	.	G	3₁₀ helix	trans	-80.9	-15.3	175.6	-59.7	-176.7	0	0	0	113.4	M79 L81 L138 S139 G143 K144 V146 V166 P171	M79-L141 HydrophobicContact CB-CD2 4.06Å; M79-L141 HydrophobicContact CG-CD2 4.47Å; L81-L141 HydrophobicContact CD2-CD1 4.32Å; L138-L141 HydrophobicContact CB-CD1 3.72Å; L138-L141 HydrophobicContact CB-CG 4.05Å; L138-L141 HydrophobicContact CD1-CD1 4.01Å; L138-L141 HydrophobicContact CG-CD1 4.38Å; L138-L141 VanDerWaalsContact O-CB 3.27Å; L138-L141 WeakPolarHBondContact O-CB 3.46Å; L138-L141 WeakPolarHBondContact O-CG 3.05Å; L138-L141 PolarHBondContact O-N 2.95Å; S139-L141 PolarHBondContact O-N 3.16Å; L141-G143 PolarHBondContact O-N 3.04Å; L141-K144 VanDerWaalsContact O-CB 3.3Å; L141-K144 WeakPolarHBondContact O-CB 3.35Å; L141-K144 PolarHBondContact O-N 3.28Å; L141-V146 HydrophobicContact CB-CG2 4.13Å; L141-V146 HydrophobicContact CD1-CG1 4.48Å; L141-V146 HydrophobicContact CD1-CG2 4.45Å; L141-V146 HydrophobicContact CD2-CG1 4.13Å; L141-V146 HydrophobicContact CD2-CG2 3.81Å; L141-V146 HydrophobicContact CG-CG2 4.36Å; L141-V166 HydrophobicContact CD1-CB 4.49Å; L141-V166 HydrophobicContact CD1-CG1 3.85Å; L141-V166 HydrophobicContact CD1-CG2 4.16Å; L141-P171 WeakPolarHBondContact O-CA 3.45Å
142	R	95.4	Very high	87.9	Confident	134 Å²	134	43.4 Å²	43.4	51%	0.506	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.5	124.6	-175.7	-178.6	177.2	-73.2	-84.6	-9.3	112.1	S139 K144 F169 E170	S139-R142 VanDerWaalsContact O-CB 3.29Å; S139-R142 WeakPolarHBondContact O-CB 3.27Å; S139-R142 PolarHBondContact O-N 3.46Å; S139-R142 VanDerWaalsContact O-N 3.14Å; R142-K144 PolarHBondContact O-N 3.2Å; R142-F169 VanDerWaalsContact CA-O 3.24Å; R142-F169 WeakPolarHBondContact CA-O 3.22Å; R142-F169 WeakPolarHBondContact CB-O 3.48Å; R142-E170 IonicContact CZ-OE2 3.39Å; R142-E170 IonicContact NH1-OE2 3.53Å; R142-E170 PolarHBondContact NH1-OE2 3.44Å; R142-E170 IonicContact NH2-OE2 2.68Å
143	G	95.1	Very high	88.6	Confident	48 Å²	48	41 Å²	41	50%	0.495	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	63.2	14.4	-178.2	0	0	0	0	0	114.8	L141 E170	L141-G143 PolarHBondContact O-N 3.04Å; G143-E170 PolarHBondContact N-O 3.35Å
144	K	94.2	Very high	89.3	Confident	79 Å²	79	38.5 Å²	38.5	34%	0.343	23%	0.233	S	C	.	.			trans	-99.4	154.9	177.4	-55.5	-57.7	-179.2	-175	0	111.8	M79 F140 L141 R142 P171 K172 M173	M79-K144 HydrophobicContact CB-CB 4.42Å; M79-K144 HydrophobicContact CG-CB 3.59Å; M79-K144 HydrophobicContact CG-CG 3.79Å; F140-K144 WeakPolarHBondContact O-CG 3.47Å; L141-K144 VanDerWaalsContact O-CB 3.3Å; L141-K144 WeakPolarHBondContact O-CB 3.35Å; L141-K144 PolarHBondContact O-N 3.28Å; R142-K144 PolarHBondContact O-N 3.2Å; K144-P171 WeakPolarHBondContact O-CB 3.31Å; K144-K172 PolarHBondContact O-N 2.79Å; K144-M173 PolarHBondContact O-N 3.48Å
145	S	95.9	Very high	90.1	Very high	3 Å²	3	37.8 Å²	37.8	2%	0.021	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	114.7	168.4	-58.4	0	0	0	0	108.7	I78 M79 M173	I78-S145 WeakPolarHBondContact CA-O 3.47Å; M79-S145 PolarHBondContact N-O 3.06Å; S145-M173 VanDerWaalsContact CB-CG 3.42Å; S145-M173 WeakPolarHBondContact OG-CG 3.5Å; S145-M173 PolarHBondContact OG-SD 3.38Å; S145-M173 VanDerWaalsContact OG-SD 3.38Å
146	V	96.5	Very high	91.2	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	133.1	-171.5	-173.1	0	0	0	0	110.1	M79 L81 L141 V148 P171 M173 V174 K175	M79-V146 HydrophobicContact CB-CG2 4.44Å; M79-V146 CarbonylContact O-C 3.44Å; M79-V146 VanDerWaalsContact O-CA 3.31Å; M79-V146 WeakPolarHBondContact O-CA 3.27Å; L81-V146 HydrophobicContact CB-CG1 4.23Å; L141-V146 HydrophobicContact CB-CG2 4.13Å; L141-V146 HydrophobicContact CD1-CG1 4.48Å; L141-V146 HydrophobicContact CD1-CG2 4.45Å; L141-V146 HydrophobicContact CD2-CG1 4.13Å; L141-V146 HydrophobicContact CD2-CG2 3.81Å; L141-V146 HydrophobicContact CG-CG2 4.36Å; V146-V148 HydrophobicContact CG1-CG2 4.33Å; V146-P171 HydrophobicContact CG2-CB 3.73Å; V146-M173 PolarHBondContact N-O 3.07Å; V146-V174 HydrophobicContact CB-CG2 4.44Å; V146-V174 CarbonylContact O-C 3.56Å; V146-V174 WeakPolarHBondContact O-CA 3.4Å; V146-K175 PolarHBondContact O-N 2.83Å
147	L	97.5	Very high	91.9	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	106.4	168.4	178.7	69.3	0	0	0	109	V69 F73 I78 M79 V80 L81 L94 V149 K175 A177 Y194	V69-L147 HydrophobicContact CG1-CD2 3.9Å; V69-L147 HydrophobicContact CG2-CD2 4.1Å; F73-L147 HydrophobicContact CE2-CD1 4.42Å; F73-L147 HydrophobicContact CZ-CB 4.11Å; F73-L147 HydrophobicContact CZ-CD1 4.44Å; I78-L147 HydrophobicContact CD1-CB 3.68Å; I78-L147 HydrophobicContact CD1-CD2 3.89Å; I78-L147 HydrophobicContact CD1-CG 4.41Å; I78-L147 HydrophobicContact CG1-CB 4Å; M79-L147 PolarHBondContact O-N 3.36Å; V80-L147 CarbonylContact C-O 3.59Å; V80-L147 WeakPolarHBondContact CA-O 3.47Å; V80-L147 HydrophobicContact CG2-CB 4.5Å; V80-L147 HydrophobicContact CG2-CD2 4.4Å; L81-L147 PolarHBondContact N-O 3.42Å; L94-L147 HydrophobicContact CD2-CD2 4.17Å; L147-V149 HydrophobicContact CD2-CG2 4.14Å; L147-V149 HydrophobicContact CG-CG2 4.01Å; L147-K175 CarbonylContact C-O 3.55Å; L147-K175 WeakPolarHBondContact CA-O 3.41Å; L147-K175 HydrophobicContact CD1-CB 4.01Å; L147-A177 HydrophobicContact CD1-CB 4.11Å; L147-Y194 HydrophobicContact CD1-CD2 3.84Å; L147-Y194 HydrophobicContact CD1-CE2 3.72Å
148	V	97	Very high	92	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	129.8	172.2	-179.6	0	0	0	0	108.5	L81 V83 V146 M159 L162 L163 V174 K175 V176 A177	L81-V148 HydrophobicContact CD2-CG2 4.5Å; L81-V148 WeakPolarHBondContact O-CA 3.5Å; V83-V148 HydrophobicContact CG2-CG1 3.96Å; V146-V148 HydrophobicContact CG1-CG2 4.33Å; V148-M159 HydrophobicContact CG1-CE 4.06Å; V148-M159 HydrophobicContact CG1-SD 4.03Å; V148-L162 HydrophobicContact CG1-CD2 3.6Å; V148-L163 HydrophobicContact CG2-CD2 4.46Å; V148-V174 HydrophobicContact CG2-CG1 4.06Å; V148-K175 PolarHBondContact N-O 3.18Å; V148-V176 HydrophobicContact CB-CG2 4.28Å; V148-V176 WeakPolarHBondContact O-CA 3.32Å; V148-A177 PolarHBondContact O-N 3.37Å
149	V	97.6	Very high	92	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	117	-179	-175.9	0	0	0	0	110	V80 L81 V83 F90 C91 L94 L147 A177	V80-V149 HydrophobicContact CG1-CG2 3.73Å; L81-V149 PolarHBondContact O-N 3.26Å; V83-V149 PolarHBondContact N-O 3.26Å; F90-V149 HydrophobicContact CD1-CG1 3.37Å; F90-V149 HydrophobicContact CE1-CG1 3.52Å; F90-V149 HydrophobicContact CG-CG1 4.12Å; F90-V149 HydrophobicContact CZ-CG1 4.35Å; C91-V149 HydrophobicContact CB-CB 4.25Å; C91-V149 HydrophobicContact CB-CG1 3.83Å; L94-V149 HydrophobicContact CD2-CG1 4.41Å; L94-V149 HydrophobicContact CD2-CG2 4.07Å; L147-V149 HydrophobicContact CD2-CG2 4.14Å; L147-V149 HydrophobicContact CG-CG2 4.01Å; V149-A177 WeakPolarHBondContact CA-O 3.4Å; V149-A177 HydrophobicContact CG2-CB 4.45Å
150	E	94.4	Very high	92	Very high	24 Å²	24	34.2 Å²	34.2	11%	0.112	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	142.8	-174.8	-178.4	65.2	-106.7	0	0	110.5	V83 F90 V153 M159 A177 G178 L179	V83-E150 WeakPolarHBondContact CB-OE2 3.24Å; V83-E150 WeakPolarHBondContact CG1-OE2 3.18Å; V83-E150 WeakPolarHBondContact CG2-OE2 3.27Å; F90-E150 WeakPolarHBondContact CD1-O 3.33Å; F90-E150 WeakPolarHBondContact CE1-O 3.17Å; E150-V153 HydrophobicContact CG-CG2 4.4Å; E150-M159 HydrophobicContact CB-CE 3.51Å; E150-M159 HydrophobicContact CG-CE 3.77Å; E150-A177 PolarHBondContact N-O 2.69Å; E150-G178 WeakPolarHBondContact O-CA 3.48Å; E150-L179 PolarHBondContact O-N 3.35Å; E150-L179 VanDerWaalsContact O-N 3.09Å
151	A	95.2	Very high	91.8	Very high	1 Å²	1	32.7 Å²	32.7	1%	0.008	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.4	-40.9	-179.9	0	0	0	0	0	112.2	G86 L179 L180 L209	G86-A151 VanDerWaalsContact C-CB 3.49Å; G86-A151 WeakPolarHBondContact O-CB 3.19Å; A151-L179 WeakPolarHBondContact O-CB 3.32Å; A151-L180 PolarHBondContact O-N 3.36Å; A151-L209 HydrophobicContact CB-CD2 3.59Å; A151-L209 HydrophobicContact CB-CG 4.37Å
152	I	93.9	Very high	91.7	Very high	41 Å²	41	32.7 Å²	32.7	21%	0.21	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.2	130.1	-177.2	-172.6	165	0	0	0	112.2	L180 K182 I199 V204 L209	I152-L180 CarbonylContact C-O 3.57Å; I152-L180 VanDerWaalsContact CA-O 3.32Å; I152-L180 WeakPolarHBondContact CA-O 3.39Å; I152-L180 HydrophobicContact CB-CB 4.13Å; I152-L180 HydrophobicContact CD1-CB 4.23Å; I152-L180 HydrophobicContact CD1-CD1 4.17Å; I152-L180 HydrophobicContact CG1-CB 3.88Å; I152-K182 HydrophobicContact CD1-CD 4.39Å; I152-K182 HydrophobicContact CD1-CG 4.29Å; I152-I199 HydrophobicContact CD1-CD1 4.44Å; I152-V204 HydrophobicContact CD1-CG2 4.16Å; I152-L209 HydrophobicContact CB-CD2 4.04Å; I152-L209 HydrophobicContact CG2-CD2 3.63Å
153	V	91.5	Very high	91.5	Very high	5 Å²	5	27.5 Å²	27.5	3%	0.03	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	109.7	168.4	-175.1	0	0	0	0	108.2	E150 M159 L180 V181 K182 M187 T192	E150-V153 HydrophobicContact CG-CG2 4.4Å; V153-M159 HydrophobicContact CG2-CE 4.47Å; V153-L180 PolarHBondContact N-O 3.07Å; V153-V181 HydrophobicContact CB-CG2 4.23Å; V153-V181 WeakPolarHBondContact O-CA 3.1Å; V153-K182 PolarHBondContact O-N 2.97Å; V153-M187 HydrophobicContact CG1-CE 4.41Å; V153-T192 HydrophobicContact CB-CG2 4.46Å; V153-T192 HydrophobicContact CG2-CG2 3.68Å
154	D	87.9	Confident	91.3	Very high	20 Å²	20	32.6 Å²	32.6	11%	0.107	16%	0.161	C	C	.	.	S	Bend	trans	-96.7	-98.3	179.4	-169.7	-9.6	0	0	0	110.3	Y121 G156 K182 L184 M187	Y121-D154 WeakPolarHBondContact OH-CB 3.45Å; Y121-D154 PolarHBondContact OH-OD2 2.77Å; D154-G156 PolarHBondContact O-N 3.37Å; D154-K182 HydrophobicContact CB-CD 4.02Å; D154-K182 VanDerWaalsContact CG-CD 3.43Å; D154-K182 VanDerWaalsContact OD1-CD 3.22Å; D154-K182 WeakPolarHBondContact OD1-CD 3.42Å; D154-K182 IonicContact OD1-NZ 3.97Å; D154-K182 IonicContact OD2-NZ 3.83Å; D154-K182 PolarHBondContact OD2-NZ 3.09Å; D154-L184 WeakPolarHBondContact O-CD1 3Å; D154-L184 WeakPolarHBondContact OD1-CD1 3.38Å; D154-M187 WeakPolarHBondContact O-CE 3.48Å
155	T	83.1	Confident	91	Very high	51 Å²	51	31 Å²	31	31%	0.313	16%	0.155	S	C	.	.	S	Bend	trans	-76.9	-7.7	176.4	65.7	0	0	0	0	113.9	K157 L184 M187	T155-K157 PolarHBondContact O-N 3.28Å; T155-K157 VanDerWaalsContact O-N 3.08Å; T155-L184 HydrophobicContact CG2-CD1 4.2Å; T155-M187 WeakPolarHBondContact O-CE 3.43Å
156	G	85.3	Confident	90.9	Very high	4 Å²	4	30.9 Å²	30.9	4%	0.041	15%	0.154	C	C	.	.	S	Bend	trans	73.9	-8.1	177.9	0	0	0	0	0	115	D154 T158 M159 K160	D154-G156 PolarHBondContact O-N 3.37Å; G156-T158 VanDerWaalsContact C-N 3.33Å; G156-T158 PolarHBondContact O-N 3.11Å; G156-M159 PolarHBondContact O-N 3.17Å; G156-M159 VanDerWaalsContact O-N 3.16Å; G156-K160 WeakPolarHBondContact O-CG 3.14Å; G156-K160 PolarHBondContact O-N 2.83Å
157	K	84.7	Confident	90.7	Very high	120 Å²	120	36.6 Å²	36.6	52%	0.522	18%	0.181	S	C	.	.	H	α-helix	trans	-53.8	-48.7	178.1	-67.6	-177.7	179.3	-176.5	0	112	T155 M159 K160 A161	T155-K157 PolarHBondContact O-N 3.28Å; T155-K157 VanDerWaalsContact O-N 3.08Å; K157-M159 PolarHBondContact O-N 3.08Å; K157-K160 PolarHBondContact O-N 3.4Å; K157-A161 PolarHBondContact O-N 3.19Å
158	T	84.7	Confident	90.6	Very high	20 Å²	20	40.8 Å²	40.8	12%	0.123	21%	0.207	C	C	.	.	H	α-helix	trans	-56	-49.7	176.8	-55.4	0	0	0	0	111.7	L118 S120 L130 G156 A161 L162	L118-T158 HydrophobicContact CB-CG2 4.31Å; L118-T158 HydrophobicContact CD1-CG2 3.64Å; S120-T158 WeakPolarHBondContact CB-OG1 3.27Å; S120-T158 PolarHBondContact OG-OG1 2.93Å; L130-T158 HydrophobicContact CD1-CG2 3.81Å; G156-T158 VanDerWaalsContact C-N 3.33Å; G156-T158 PolarHBondContact O-N 3.11Å; T158-A161 PolarHBondContact O-N 3.01Å; T158-L162 WeakPolarHBondContact O-CB 3.29Å; T158-L162 PolarHBondContact O-N 3.12Å
159	M	88.8	Confident	90.5	Very high	4 Å²	4	42.3 Å²	42.3	2%	0.02	21%	0.213	C	C	.	.	H	α-helix	trans	-67	-43	-178.1	-171.4	55.8	63.7	0	0	111.5	V148 E150 V153 G156 K157 A161 L162 L163 V176 L191	V148-M159 HydrophobicContact CG1-CE 4.06Å; V148-M159 HydrophobicContact CG1-SD 4.03Å; E150-M159 HydrophobicContact CB-CE 3.51Å; E150-M159 HydrophobicContact CG-CE 3.77Å; V153-M159 HydrophobicContact CG2-CE 4.47Å; G156-M159 PolarHBondContact O-N 3.17Å; G156-M159 VanDerWaalsContact O-N 3.16Å; K157-M159 PolarHBondContact O-N 3.08Å; M159-A161 PolarHBondContact O-N 3.1Å; M159-L162 PolarHBondContact O-N 2.82Å; M159-L162 HydrophobicContact SD-CD2 4.36Å; M159-L163 HydrophobicContact CG-CD1 4.02Å; M159-L163 HydrophobicContact CG-CG 4.28Å; M159-L163 WeakPolarHBondContact O-CB 3.39Å; M159-L163 VanDerWaalsContact O-CG 3.29Å; M159-L163 WeakPolarHBondContact O-CG 3.47Å; M159-L163 PolarHBondContact O-N 2.75Å; M159-L163 HydrophobicContact SD-CD1 4.4Å; M159-L163 HydrophobicContact SD-CG 4.12Å; M159-V176 HydrophobicContact CE-CG1 3.73Å; M159-V176 HydrophobicContact CG-CG1 4.35Å; M159-V176 HydrophobicContact SD-CG1 3.74Å; M159-V176 HydrophobicContact SD-CG2 4.04Å; M159-L191 HydrophobicContact CB-CD1 4.35Å; M159-L191 HydrophobicContact CG-CB 4.2Å
160	K	89	Confident	90.4	Very high	92 Å²	92	48.2 Å²	48.2	40%	0.4	24%	0.241	S	C	.	.	H	α-helix	trans	-57.9	-46	176.2	-75.1	-173.5	170.7	-159.4	0	112.1	G156 K157 K164 E189 L191	G156-K160 WeakPolarHBondContact O-CG 3.14Å; G156-K160 PolarHBondContact O-N 2.83Å; K157-K160 PolarHBondContact O-N 3.4Å; K160-K164 WeakPolarHBondContact O-CB 3.42Å; K160-K164 PolarHBondContact O-N 3.44Å; K160-E189 IonicContact NZ-OE2 3.06Å; K160-E189 PolarHBondContact NZ-OE2 3.3Å; K160-L191 HydrophobicContact CD-CD1 4.36Å; K160-L191 HydrophobicContact CD-CD2 4.41Å; K160-L191 HydrophobicContact CG-CD1 3.75Å; K160-L191 HydrophobicContact CG-CD2 3.72Å; K160-L191 HydrophobicContact CG-CG 4.4Å
161	A	87.5	Confident	90.5	Very high	40 Å²	40	48.1 Å²	48.1	33%	0.331	24%	0.243	S	C	.	.	H	α-helix	trans	-69.7	-38.3	179.3	0	0	0	0	0	112.2	L130 K157 T158 M159 H165	L130-A161 HydrophobicContact CD2-CB 3.44Å; L130-A161 VanDerWaalsContact CD2-CB 3.44Å; K157-A161 PolarHBondContact O-N 3.19Å; T158-A161 PolarHBondContact O-N 3.01Å; M159-A161 PolarHBondContact O-N 3.1Å; A161-H165 WeakPolarHBondContact O-CB 3.44Å; A161-H165 PolarHBondContact O-N 3.02Å
162	L	89.6	Confident	90.5	Very high	0 Å²	0	54.9 Å²	54.9	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-62.1	-48.6	173.2	175.9	60.2	0	0	0	112	V83 I116 L118 V148 T158 M159 K164 H165 V166	V83-L162 HydrophobicContact CG2-CD2 3.6Å; I116-L162 HydrophobicContact CD1-CD1 3.8Å; I116-L162 HydrophobicContact CG2-CD1 4.38Å; L118-L162 HydrophobicContact CD1-CB 3.96Å; L118-L162 HydrophobicContact CD1-CD1 4.25Å; L118-L162 HydrophobicContact CD1-CD2 3.96Å; L118-L162 HydrophobicContact CD1-CG 4.27Å; V148-L162 HydrophobicContact CG1-CD2 3.6Å; T158-L162 WeakPolarHBondContact O-CB 3.29Å; T158-L162 PolarHBondContact O-N 3.12Å; M159-L162 PolarHBondContact O-N 2.82Å; M159-L162 HydrophobicContact SD-CD2 4.36Å; L162-K164 PolarHBondContact O-N 2.78Å; L162-H165 WeakPolarHBondContact O-CB 3.48Å; L162-H165 PolarHBondContact O-N 2.91Å; L162-H165 VanDerWaalsContact O-N 3.14Å; L162-V166 HydrophobicContact CD1-CG2 3.96Å; L162-V166 HydrophobicContact CG-CG2 4.34Å; L162-V166 WeakPolarHBondContact O-CG2 3.37Å; L162-V166 PolarHBondContact O-N 3.4Å
163	L	91.5	Very high	90.5	Very high	26 Å²	26	55.4 Å²	55.4	14%	0.136	27%	0.274	C	S	.	.	H	α-helix	trans	-60	-46.6	179.5	-72.4	175.3	0	0	0	111.1	V148 M159 H165 V166 E167 V174 V176	V148-L163 HydrophobicContact CG2-CD2 4.46Å; M159-L163 HydrophobicContact CG-CD1 4.02Å; M159-L163 HydrophobicContact CG-CG 4.28Å; M159-L163 WeakPolarHBondContact O-CB 3.39Å; M159-L163 VanDerWaalsContact O-CG 3.29Å; M159-L163 WeakPolarHBondContact O-CG 3.47Å; M159-L163 PolarHBondContact O-N 2.75Å; M159-L163 HydrophobicContact SD-CD1 4.4Å; M159-L163 HydrophobicContact SD-CG 4.12Å; L163-H165 VanDerWaalsContact C-N 3.27Å; L163-H165 PolarHBondContact O-N 2.78Å; L163-V166 PolarHBondContact O-N 2.64Å; L163-E167 WeakPolarHBondContact O-CB 3.41Å; L163-E167 VanDerWaalsContact O-CG 3.27Å; L163-E167 WeakPolarHBondContact O-CG 3.19Å; L163-E167 PolarHBondContact O-N 2.88Å; L163-V174 HydrophobicContact CD2-CG1 3.58Å; L163-V176 HydrophobicContact CD1-CG2 4.16Å; L163-V176 HydrophobicContact CD2-CG2 3.74Å; L163-V176 HydrophobicContact CG-CG2 4.4Å
164	K	90.6	Very high	90.6	Very high	155 Å²	155	56.9 Å²	56.9	67%	0.674	28%	0.283	S	S	*	.	H	α-helix	trans	-57	-41	174.8	-174.2	177.7	-178.9	-179.6	0	112.1	K160 L162 T168	K160-K164 WeakPolarHBondContact O-CB 3.42Å; K160-K164 PolarHBondContact O-N 3.44Å; L162-K164 PolarHBondContact O-N 2.78Å; K164-T168 VanDerWaalsContact O-CG2 3.29Å; K164-T168 WeakPolarHBondContact O-CG2 3.48Å
165	H	89.5	Confident	91	Very high	45 Å²	45	58.6 Å²	58.6	21%	0.208	29%	0.289	C	S	.	.	H	α-helix	trans	-65.9	-48	176.5	-174.3	64.3	0	0	0	111.8	S136 A161 L162 L163 E167 T168 F169	S136-H165 PolarHBondContact O-NE2 2.87Å; S136-H165 VanDerWaalsContact O-NE2 3.07Å; A161-H165 WeakPolarHBondContact O-CB 3.44Å; A161-H165 PolarHBondContact O-N 3.02Å; L162-H165 WeakPolarHBondContact O-CB 3.48Å; L162-H165 PolarHBondContact O-N 2.91Å; L162-H165 VanDerWaalsContact O-N 3.14Å; L163-H165 VanDerWaalsContact C-N 3.27Å; L163-H165 PolarHBondContact O-N 2.78Å; H165-E167 VanDerWaalsContact C-N 3.33Å; H165-E167 PolarHBondContact O-N 2.89Å; H165-T168 WeakPolarHBondContact O-CB 3.33Å; H165-T168 PolarHBondContact O-N 2.82Å; H165-T168 PolarHBondContact O-OG1 3.13Å; H165-F169 AromaticContact CE1-CE2 3.73Å; H165-F169 AromaticContact NE2-CE2 3.61Å; H165-F169 VanDerWaalsContact O-CD2 3.29Å; H165-F169 WeakPolarHBondContact O-CD2 3.36Å; H165-F169 WeakPolarHBondContact O-CE2 3.35Å
166	V	92.3	Very high	91.6	Very high	0 Å²	0	56.3 Å²	56.3	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-60.1	-41.6	178.6	167.5	0	0	0	0	111.6	L81 L138 L141 L162 L163 T168 F169 P171 V174	L81-V166 HydrophobicContact CD2-CG2 3.91Å; L138-V166 HydrophobicContact CD1-CG2 3.97Å; L141-V166 HydrophobicContact CD1-CB 4.49Å; L141-V166 HydrophobicContact CD1-CG1 3.85Å; L141-V166 HydrophobicContact CD1-CG2 4.16Å; L162-V166 HydrophobicContact CD1-CG2 3.96Å; L162-V166 HydrophobicContact CG-CG2 4.34Å; L162-V166 WeakPolarHBondContact O-CG2 3.37Å; L162-V166 PolarHBondContact O-N 3.4Å; L163-V166 PolarHBondContact O-N 2.64Å; V166-T168 PolarHBondContact O-N 2.94Å; V166-F169 PolarHBondContact O-N 3.34Å; V166-F169 VanDerWaalsContact O-N 3.11Å; V166-P171 HydrophobicContact CG1-CG 4.19Å; V166-P171 WeakPolarHBondContact O-CD 3.19Å; V166-V174 HydrophobicContact CG1-CG1 4.45Å; V166-V174 HydrophobicContact CG1-CG2 3.91Å
167	E	93.4	Very high	92.2	Very high	121 Å²	121	56.1 Å²	56.1	57%	0.565	27%	0.273	S	S	*	.	H	α-helix	trans	-60.9	-29.5	179	-76.7	172.4	177.6	0	0	113	L163 H165 F169 E170	L163-E167 WeakPolarHBondContact O-CB 3.41Å; L163-E167 VanDerWaalsContact O-CG 3.27Å; L163-E167 WeakPolarHBondContact O-CG 3.19Å; L163-E167 PolarHBondContact O-N 2.88Å; H165-E167 VanDerWaalsContact C-N 3.33Å; H165-E167 PolarHBondContact O-N 2.89Å; E167-F169 PolarHBondContact O-N 2.91Å; E167-F169 VanDerWaalsContact O-N 3.1Å; E167-E170 PolarHBondContact O-N 3.32Å
168	T	94.3	Very high	92.7	Very high	88 Å²	88	50.4 Å²	50.4	54%	0.54	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-17.7	176.6	71.8	0	0	0	0	113.8	K164 H165 V166	K164-T168 VanDerWaalsContact O-CG2 3.29Å; K164-T168 WeakPolarHBondContact O-CG2 3.48Å; H165-T168 WeakPolarHBondContact O-CB 3.33Å; H165-T168 PolarHBondContact O-N 2.82Å; H165-T168 PolarHBondContact O-OG1 3.13Å; V166-T168 PolarHBondContact O-N 2.94Å
169	F	94.9	Very high	93.3	Very high	31 Å²	31	49.4 Å²	49.4	14%	0.136	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.3	5.9	177.5	-61.4	-87.4	0	0	0	113.2	S136 D137 L138 R142 H165 V166 E167	S136-F169 WeakPolarHBondContact O-CZ 3.38Å; D137-F169 WeakPolarHBondContact OD1-CE1 3.5Å; L138-F169 VanDerWaalsContact C-CD1 3.45Å; L138-F169 HydrophobicContact CB-CD1 4.33Å; L138-F169 HydrophobicContact CB-CD2 3.74Å; L138-F169 HydrophobicContact CB-CE1 4.34Å; L138-F169 HydrophobicContact CB-CE2 3.78Å; L138-F169 HydrophobicContact CB-CG 4.02Å; L138-F169 HydrophobicContact CB-CZ 4.08Å; L138-F169 HydrophobicContact CD1-CE2 4.38Å; L138-F169 HydrophobicContact CG-CE2 4.2Å; L138-F169 VanDerWaalsContact N-CE1 3.34Å; R142-F169 VanDerWaalsContact CA-O 3.24Å; R142-F169 WeakPolarHBondContact CA-O 3.22Å; R142-F169 WeakPolarHBondContact CB-O 3.48Å; H165-F169 AromaticContact CE1-CE2 3.73Å; H165-F169 AromaticContact NE2-CE2 3.61Å; H165-F169 VanDerWaalsContact O-CD2 3.29Å; H165-F169 WeakPolarHBondContact O-CD2 3.36Å; H165-F169 WeakPolarHBondContact O-CE2 3.35Å; V166-F169 PolarHBondContact O-N 3.34Å; V166-F169 VanDerWaalsContact O-N 3.11Å; E167-F169 PolarHBondContact O-N 2.91Å; E167-F169 VanDerWaalsContact O-N 3.1Å
170	E	96.1	Very high	93.7	Very high	124 Å²	124	49.2 Å²	49.2	58%	0.579	24%	0.242	S	C	*	.			trans	54.7	57.4	175.1	-58.4	175	157.2	0	0	113.2	R142 G143 E167	R142-E170 IonicContact CZ-OE2 3.39Å; R142-E170 IonicContact NH1-OE2 3.53Å; R142-E170 PolarHBondContact NH1-OE2 3.44Å; R142-E170 IonicContact NH2-OE2 2.68Å; G143-E170 PolarHBondContact N-O 3.35Å; E167-E170 PolarHBondContact O-N 3.32Å
171	P	96.2	Very high	93.9	Very high	23 Å²	23	45.7 Å²	45.7	15%	0.149	23%	0.228	C	C	.	.			trans	-63.9	154.9	170.4	30.5	-35.5	0	0	0	110.8	L141 K144 V146 V166 M173 V174	L141-P171 WeakPolarHBondContact O-CA 3.45Å; K144-P171 WeakPolarHBondContact O-CB 3.31Å; V146-P171 HydrophobicContact CG2-CB 3.73Å; V166-P171 HydrophobicContact CG1-CG 4.19Å; V166-P171 WeakPolarHBondContact O-CD 3.19Å; P171-M173 VanDerWaalsContact C-N 3.33Å; P171-V174 HydrophobicContact CB-CG2 3.96Å; P171-V174 HydrophobicContact CG-CG2 3.31Å
172	K	95.1	Very high	94.2	Very high	143 Å²	143	44.4 Å²	44.4	62%	0.622	22%	0.215	S	C	*	.	S	Bend	trans	-64.9	-41.1	175	176	-175.2	173.4	-167.8	0	111.1	K144	K144-K172 PolarHBondContact O-N 2.79Å
173	M	94.1	Very high	94.2	Very high	51 Å²	51	46.8 Å²	46.8	25%	0.251	22%	0.223	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.3	153	175.8	64	-174.2	-68	0	0	109	F73 K144 S145 V146 P171 K175	F73-M173 HydrophobicContact CD1-SD 4.37Å; F73-M173 HydrophobicContact CE1-CE 4.17Å; F73-M173 HydrophobicContact CE1-SD 4.19Å; F73-M173 HydrophobicContact CE2-CE 4.5Å; F73-M173 HydrophobicContact CZ-CE 4.15Å; K144-M173 PolarHBondContact O-N 3.48Å; S145-M173 VanDerWaalsContact CB-CG 3.42Å; S145-M173 WeakPolarHBondContact OG-CG 3.5Å; S145-M173 PolarHBondContact OG-SD 3.38Å; S145-M173 VanDerWaalsContact OG-SD 3.38Å; V146-M173 PolarHBondContact N-O 3.07Å; P171-M173 VanDerWaalsContact C-N 3.33Å; M173-K175 HydrophobicContact CE-CD 4.45Å; M173-K175 HydrophobicContact CE-CG 3.75Å
174	V	94.9	Very high	93.8	Very high	37 Å²	37	47.1 Å²	47.1	22%	0.224	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	130.7	172.2	-171.8	0	0	0	0	107.8	V146 V148 L163 V166 P171	V146-V174 HydrophobicContact CB-CG2 4.44Å; V146-V174 CarbonylContact O-C 3.56Å; V146-V174 WeakPolarHBondContact O-CA 3.4Å; V148-V174 HydrophobicContact CG2-CG1 4.06Å; L163-V174 HydrophobicContact CD2-CG1 3.58Å; V166-V174 HydrophobicContact CG1-CG1 4.45Å; V166-V174 HydrophobicContact CG1-CG2 3.91Å; P171-V174 HydrophobicContact CB-CG2 3.96Å; P171-V174 HydrophobicContact CG-CG2 3.31Å
175	K	95.8	Very high	92.9	Very high	55 Å²	55	45.9 Å²	45.9	24%	0.239	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	154	170.3	-65.2	-73.7	-179.6	172.7	0	109.5	F73 V146 L147 V148 M173 D193 Y194	F73-K175 HydrophobicContact CE2-CB 4.03Å; F73-K175 HydrophobicContact CE2-CG 3.86Å; F73-K175 HydrophobicContact CZ-CB 3.81Å; F73-K175 HydrophobicContact CZ-CG 3.73Å; V146-K175 PolarHBondContact O-N 2.83Å; L147-K175 CarbonylContact C-O 3.55Å; L147-K175 WeakPolarHBondContact CA-O 3.41Å; L147-K175 HydrophobicContact CD1-CB 4.01Å; V148-K175 PolarHBondContact N-O 3.18Å; M173-K175 HydrophobicContact CE-CD 4.45Å; M173-K175 HydrophobicContact CE-CG 3.75Å; K175-D193 VanDerWaalsContact CA-OD2 3.26Å; K175-D193 WeakPolarHBondContact CA-OD2 3.24Å; K175-D193 HydrophobicContact CB-CB 4.46Å; K175-D193 HydrophobicContact CD-CB 3.82Å; K175-D193 WeakPolarHBondContact CD-OD1 3.22Å; K175-D193 WeakPolarHBondContact CD-OD2 3.49Å; K175-D193 IonicContact NZ-OD1 3.73Å; K175-D193 PolarHBondContact NZ-OD1 2.99Å; K175-Y194 HydrophobicContact CB-CE2 3.85Å; K175-Y194 HydrophobicContact CG-CE2 4.39Å
176	V	96	Very high	91.8	Very high	3 Å²	3	48.9 Å²	48.9	2%	0.018	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	125.5	-178.7	-176	0	0	0	0	110.5	V148 M159 L163 L191 T192 D193 Y194	V148-V176 HydrophobicContact CB-CG2 4.28Å; V148-V176 WeakPolarHBondContact O-CA 3.32Å; M159-V176 HydrophobicContact CE-CG1 3.73Å; M159-V176 HydrophobicContact CG-CG1 4.35Å; M159-V176 HydrophobicContact SD-CG1 3.74Å; M159-V176 HydrophobicContact SD-CG2 4.04Å; L163-V176 HydrophobicContact CD1-CG2 4.16Å; L163-V176 HydrophobicContact CD2-CG2 3.74Å; L163-V176 HydrophobicContact CG-CG2 4.4Å; V176-L191 WeakPolarHBondContact CB-O 3.29Å; V176-T192 HydrophobicContact CG1-CG2 3.99Å; V176-D193 PolarHBondContact N-OD2 2.82Å; V176-D193 PolarHBondContact O-N 3.25Å; V176-Y194 PolarHBondContact O-N 2.8Å
177	A	96.9	Very high	90.6	Very high	0 Å²	0	51.6 Å²	51.6	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	117.5	166.8	0	0	0	0	0	109.9	F90 L94 L147 V148 V149 E150 Y194	F90-A177 HydrophobicContact CE1-CB 4.13Å; F90-A177 HydrophobicContact CZ-CB 4.06Å; L94-A177 HydrophobicContact CD2-CB 4.13Å; L147-A177 HydrophobicContact CD1-CB 4.11Å; V148-A177 PolarHBondContact O-N 3.37Å; V149-A177 WeakPolarHBondContact CA-O 3.4Å; V149-A177 HydrophobicContact CG2-CB 4.45Å; E150-A177 PolarHBondContact N-O 2.69Å; A177-Y194 CarbonylContact C-O 3.57Å; A177-Y194 WeakPolarHBondContact CA-O 3.45Å; A177-Y194 HydrophobicContact CB-CD2 4.14Å
178	G	95.8	Very high	88.9	Confident	0 Å²	0	51.7 Å²	51.7	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	123.4	172.5	0	0	0	0	0	110.3	E150 Y194 V195 G196	E150-G178 WeakPolarHBondContact O-CA 3.48Å; G178-Y194 PolarHBondContact N-O 3.1Å; G178-V195 WeakPolarHBondContact O-CA 3.49Å; G178-G196 PolarHBondContact O-N 3.4Å
179	L	97.3	Very high	87.6	Confident	0 Å²	0	53 Å²	53	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.6	-46.9	175.4	176.2	64.5	0	0	0	110.6	I58 I62 F90 E150 A151 G196 F197 Y207 I221	I58-L179 HydrophobicContact CG2-CD1 4.15Å; I58-L179 HydrophobicContact CG2-CD2 4.29Å; I62-L179 HydrophobicContact CD1-CD1 4.48Å; I62-L179 HydrophobicContact CG1-CD1 4.24Å; F90-L179 HydrophobicContact CB-CB 4.36Å; F90-L179 HydrophobicContact CB-CD2 4.29Å; F90-L179 HydrophobicContact CD1-CB 3.67Å; F90-L179 HydrophobicContact CD2-CB 4.08Å; F90-L179 HydrophobicContact CD2-CD1 4.22Å; F90-L179 HydrophobicContact CE1-CB 3.87Å; F90-L179 HydrophobicContact CE2-CB 4.3Å; F90-L179 HydrophobicContact CE2-CD1 4.33Å; F90-L179 HydrophobicContact CG-CB 3.77Å; F90-L179 HydrophobicContact CG-CD2 4.41Å; F90-L179 HydrophobicContact CZ-CB 4.2Å; E150-L179 PolarHBondContact O-N 3.35Å; E150-L179 VanDerWaalsContact O-N 3.09Å; A151-L179 WeakPolarHBondContact O-CB 3.32Å; L179-G196 CarbonylContact O-C 3.51Å; L179-G196 WeakPolarHBondContact O-CA 3.26Å; L179-G196 PolarHBondContact O-N 3.23Å; L179-F197 HydrophobicContact CD1-CD2 4.05Å; L179-F197 HydrophobicContact CD1-CE2 4Å; L179-F197 PolarHBondContact O-N 3.37Å; L179-Y207 HydrophobicContact CD2-CD1 3.46Å; L179-Y207 VanDerWaalsContact CD2-CD1 3.46Å; L179-Y207 HydrophobicContact CD2-CE1 3.54Å; L179-I221 HydrophobicContact CD2-CD1 4.1Å
180	L	96.5	Very high	86.6	Confident	0 Å²	0	56.6 Å²	56.6	0%	0	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	138.2	177.1	-55.3	-178.2	0	0	0	110.7	I53 A151 I152 V153 F197 I199 V204 L209 I221	I53-L180 HydrophobicContact CD1-CD2 3.72Å; A151-L180 PolarHBondContact O-N 3.36Å; I152-L180 CarbonylContact C-O 3.57Å; I152-L180 VanDerWaalsContact CA-O 3.32Å; I152-L180 WeakPolarHBondContact CA-O 3.39Å; I152-L180 HydrophobicContact CB-CB 4.13Å; I152-L180 HydrophobicContact CD1-CB 4.23Å; I152-L180 HydrophobicContact CD1-CD1 4.17Å; I152-L180 HydrophobicContact CG1-CB 3.88Å; V153-L180 PolarHBondContact N-O 3.07Å; L180-F197 CarbonylContact C-O 3.57Å; L180-F197 WeakPolarHBondContact CA-O 3.35Å; L180-F197 HydrophobicContact CD2-CB 3.88Å; L180-F197 HydrophobicContact CD2-CD2 4.05Å; L180-F197 HydrophobicContact CD2-CG 4.36Å; L180-I199 HydrophobicContact CB-CD1 4.43Å; L180-I199 HydrophobicContact CD1-CD1 4.14Å; L180-I199 HydrophobicContact CD2-CG2 4.17Å; L180-V204 HydrophobicContact CD1-CG2 3.79Å; L180-L209 HydrophobicContact CD1-CD1 3.52Å; L180-I221 HydrophobicContact CD1-CD1 4.12Å; L180-I221 HydrophobicContact CD1-CG2 4.3Å; L180-I221 HydrophobicContact CD2-CD1 4.06Å; L180-I221 HydrophobicContact CG-CD1 4.36Å
181	V	94.1	Very high	85.9	Confident	18 Å²	18	51.8 Å²	51.8	11%	0.109	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	124.3	168.1	177.6	0	0	0	0	107.8	V153 T192 V195 F197 E198 I199	V153-V181 HydrophobicContact CB-CG2 4.23Å; V153-V181 WeakPolarHBondContact O-CA 3.1Å; V181-T192 HydrophobicContact CG2-CG2 4.02Å; V181-V195 HydrophobicContact CB-CG1 4.03Å; V181-V195 HydrophobicContact CG2-CB 4.37Å; V181-V195 HydrophobicContact CG2-CG1 3.56Å; V181-V195 HydrophobicContact CG2-CG2 3.92Å; V181-F197 PolarHBondContact N-O 3.32Å; V181-E198 CarbonylContact O-C 3.57Å; V181-E198 VanDerWaalsContact O-CA 3.31Å; V181-E198 WeakPolarHBondContact O-CA 3.2Å; V181-I199 PolarHBondContact O-N 2.95Å
182	K	92.6	Very high	85.6	Confident	13 Å²	13	51.3 Å²	51.3	6%	0.057	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	135	176.2	-75.9	178.3	175.8	-175.9	0	110.8	I152 V153 D154 L184 I199 N201 R202	I152-K182 HydrophobicContact CD1-CD 4.39Å; I152-K182 HydrophobicContact CD1-CG 4.29Å; V153-K182 PolarHBondContact O-N 2.97Å; D154-K182 HydrophobicContact CB-CD 4.02Å; D154-K182 VanDerWaalsContact CG-CD 3.43Å; D154-K182 VanDerWaalsContact OD1-CD 3.22Å; D154-K182 WeakPolarHBondContact OD1-CD 3.42Å; D154-K182 IonicContact OD1-NZ 3.97Å; D154-K182 IonicContact OD2-NZ 3.83Å; D154-K182 PolarHBondContact OD2-NZ 3.09Å; K182-L184 HydrophobicContact CB-CG 4.34Å; K182-L184 PolarHBondContact O-N 2.79Å; K182-I199 CarbonylContact C-O 3.56Å; K182-I199 WeakPolarHBondContact CA-O 3.35Å; K182-I199 HydrophobicContact CG-CD1 4.05Å; K182-I199 HydrophobicContact CG-CG1 3.89Å; K182-N201 PolarHBondContact NZ-OD1 3.21Å; K182-R202 WeakPolarHBondContact CE-O 3.25Å
183	R	89.7	Confident	85.5	Confident	49 Å²	49	47.5 Å²	47.5	19%	0.185	27%	0.27	C	S	.	.			trans	-74.6	108.4	167.4	-71	-169.3	-58.3	-79.7	-5.9	110	I26 D28 E198 I199	I26-R183 PolarHBondContact O-NH1 2.68Å; I26-R183 PolarHBondContact O-NH2 3.39Å; D28-R183 IonicContact OD1-CZ 3.22Å; D28-R183 IonicContact OD1-NE 2.92Å; D28-R183 IonicContact OD1-NH2 2.75Å; D28-R183 PolarHBondContact OD1-NH2 2.82Å; R183-E198 WeakPolarHBondContact CD-OE1 3.36Å; R183-E198 HydrophobicContact CG-CG 3.41Å; R183-E198 VanDerWaalsContact CG-CG 3.41Å; R183-E198 WeakPolarHBondContact CG-OE1 3.32Å; R183-E198 PolarHBondContact NH1-O 2.79Å; R183-E198 IonicContact NH1-OE2 2.86Å; R183-I199 PolarHBondContact N-O 3.43Å
184	L	83.7	Confident	85.6	Confident	33 Å²	33	45.3 Å²	45.3	17%	0.173	26%	0.259	C	S	.	.			trans	-122.7	137.6	171.8	-59.1	178.5	0	0	0	109.1	D154 T155 K182 T186 M187 N201	D154-L184 WeakPolarHBondContact O-CD1 3Å; D154-L184 WeakPolarHBondContact OD1-CD1 3.38Å; T155-L184 HydrophobicContact CG2-CD1 4.2Å; K182-L184 HydrophobicContact CB-CG 4.34Å; K182-L184 PolarHBondContact O-N 2.79Å; L184-T186 PolarHBondContact O-N 3.24Å; L184-T186 VanDerWaalsContact O-N 3.11Å; L184-M187 HydrophobicContact CB-CG 4.13Å; L184-M187 WeakPolarHBondContact O-CB 3.44Å; L184-M187 PolarHBondContact O-N 2.8Å; L184-M187 VanDerWaalsContact O-N 3.14Å; L184-N201 HydrophobicContact CD2-CB 3.82Å
185	S	71.3	Confident	85.6	Confident	130 Å²	130	44.5 Å²	44.5	91%	0.909	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.2	-17.5	175.8	51.9	0	0	0	0	113.6
186	T	66.7	Low	85.6	Confident	108 Å²	108	41.9 Å²	41.9	66%	0.663	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87.6	-6.8	179.8	53.1	0	0	0	0	113.9	L184 T188	L184-T186 PolarHBondContact O-N 3.24Å; L184-T186 VanDerWaalsContact O-N 3.11Å; T186-T188 PolarHBondContact O-N 3.1Å
187	M	66.9	Low	85.6	Confident	56 Å²	56	41.9 Å²	41.9	28%	0.276	24%	0.243	S	C	.	.			trans	-81.2	104.4	177.1	-80.3	-105	145.9	0	0	110.6	V153 D154 T155 L184 L191	V153-M187 HydrophobicContact CG1-CE 4.41Å; D154-M187 WeakPolarHBondContact O-CE 3.48Å; T155-M187 WeakPolarHBondContact O-CE 3.43Å; L184-M187 HydrophobicContact CB-CG 4.13Å; L184-M187 WeakPolarHBondContact O-CB 3.44Å; L184-M187 PolarHBondContact O-N 2.8Å; L184-M187 VanDerWaalsContact O-N 3.14Å; M187-L191 HydrophobicContact CE-CD1 4.41Å
188	T	57.8	Low	85.5	Confident	123 Å²	123	43.8 Å²	43.8	76%	0.755	25%	0.252	S	S	*	.			trans	-96	-15.2	179.8	53.1	0	0	0	0	114.1	T186	T186-T188 PolarHBondContact O-N 3.1Å
189	E	67.4	Low	85.4	Confident	117 Å²	117	43.8 Å²	43.8	55%	0.547	25%	0.252	S	S	.	.	S	Bend	trans	-133.7	136.7	-174.5	-69.9	168.9	163.6	0	0	110.6	K160 L191	K160-E189 IonicContact NZ-OE2 3.06Å; K160-E189 PolarHBondContact NZ-OE2 3.3Å; E189-L191 PolarHBondContact O-N 3.43Å
190	S	73.8	Confident	85.3	Confident	105 Å²	105	44.1 Å²	44.1	73%	0.734	25%	0.254	S	S	*	.			trans	-72.3	116.9	170	-172.9	0	0	0	0	109.6	T192	S190-T192 PolarHBondContact OG-O 2.95Å; S190-T192 VanDerWaalsContact OG-O 3.13Å
191	L	81.8	Confident	85.1	Confident	23 Å²	23	48.9 Å²	48.9	12%	0.12	28%	0.279	C	S	.	.			trans	-96.5	3.5	177.4	-62.7	173	0	0	0	113	M159 K160 V176 M187 E189	M159-L191 HydrophobicContact CB-CD1 4.35Å; M159-L191 HydrophobicContact CG-CB 4.2Å; K160-L191 HydrophobicContact CD-CD1 4.36Å; K160-L191 HydrophobicContact CD-CD2 4.41Å; K160-L191 HydrophobicContact CG-CD1 3.75Å; K160-L191 HydrophobicContact CG-CD2 3.72Å; K160-L191 HydrophobicContact CG-CG 4.4Å; V176-L191 WeakPolarHBondContact CB-O 3.29Å; M187-L191 HydrophobicContact CE-CD1 4.41Å; E189-L191 PolarHBondContact O-N 3.43Å
192	T	89.3	Confident	85	Confident	14 Å²	14	53.4 Å²	53.4	9%	0.086	30%	0.295	C	S	.	.			trans	-132.1	127.9	-170.8	49.2	0	0	0	0	110.7	V153 V176 V181 S190 V195	V153-T192 HydrophobicContact CB-CG2 4.46Å; V153-T192 HydrophobicContact CG2-CG2 3.68Å; V176-T192 HydrophobicContact CG1-CG2 3.99Å; V181-T192 HydrophobicContact CG2-CG2 4.02Å; S190-T192 PolarHBondContact OG-O 2.95Å; S190-T192 VanDerWaalsContact OG-O 3.13Å; T192-V195 WeakPolarHBondContact OG1-CG2 3.49Å
193	D	93.6	Very high	85.1	Confident	62 Å²	62	54.5 Å²	54.5	33%	0.332	30%	0.299	S	S	.	.	S	Bend	trans	-85.6	-36.6	174.6	-56.9	-95.4	0	0	0	111.4	K175 V176	K175-D193 VanDerWaalsContact CA-OD2 3.26Å; K175-D193 WeakPolarHBondContact CA-OD2 3.24Å; K175-D193 HydrophobicContact CB-CB 4.46Å; K175-D193 HydrophobicContact CD-CB 3.82Å; K175-D193 WeakPolarHBondContact CD-OD1 3.22Å; K175-D193 WeakPolarHBondContact CD-OD2 3.49Å; K175-D193 IonicContact NZ-OD1 3.73Å; K175-D193 PolarHBondContact NZ-OD1 2.99Å; V176-D193 PolarHBondContact N-OD2 2.82Å; V176-D193 PolarHBondContact O-N 3.25Å
194	Y	95.1	Very high	85.5	Confident	5 Å²	5	52.6 Å²	52.6	2%	0.02	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	113.8	179.1	-45.7	-72.5	0	0	0	109.8	V69 D72 F73 L147 K175 V176 A177 G178	V69-Y194 HydrophobicContact CG2-CD1 4.3Å; V69-Y194 HydrophobicContact CG2-CD2 3.89Å; V69-Y194 HydrophobicContact CG2-CE1 4.25Å; V69-Y194 HydrophobicContact CG2-CE2 3.81Å; V69-Y194 HydrophobicContact CG2-CG 4.13Å; D72-Y194 WeakPolarHBondContact CB-OH 3.47Å; D72-Y194 WeakPolarHBondContact OD2-CE1 3.47Å; D72-Y194 VanDerWaalsContact OD2-CZ 3.29Å; D72-Y194 PolarHBondContact OD2-OH 3.45Å; F73-Y194 HydrophobicContact CE2-CE2 4.26Å; L147-Y194 HydrophobicContact CD1-CD2 3.84Å; L147-Y194 HydrophobicContact CD1-CE2 3.72Å; K175-Y194 HydrophobicContact CB-CE2 3.85Å; K175-Y194 HydrophobicContact CG-CE2 4.39Å; V176-Y194 PolarHBondContact O-N 2.8Å; A177-Y194 CarbonylContact C-O 3.57Å; A177-Y194 WeakPolarHBondContact CA-O 3.45Å; A177-Y194 HydrophobicContact CB-CD2 4.14Å; G178-Y194 PolarHBondContact N-O 3.1Å
195	V	95.1	Very high	86.2	Confident	20 Å²	20	51 Å²	51	12%	0.121	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	123.8	-178.7	-175.9	0	0	0	0	110.5	L23 R61 G178 V181 T192	L23-V195 HydrophobicContact CD1-CB 3.4Å; L23-V195 HydrophobicContact CD1-CG1 3.18Å; L23-V195 HydrophobicContact CD1-CG2 4.27Å; R61-V195 PolarHBondContact NE-O 3.38Å; R61-V195 PolarHBondContact NH2-O 3.03Å; G178-V195 WeakPolarHBondContact O-CA 3.49Å; V181-V195 HydrophobicContact CB-CG1 4.03Å; V181-V195 HydrophobicContact CG2-CB 4.37Å; V181-V195 HydrophobicContact CG2-CG1 3.56Å; V181-V195 HydrophobicContact CG2-CG2 3.92Å; T192-V195 WeakPolarHBondContact OG1-CG2 3.49Å
196	G	95.9	Very high	87.5	Confident	0 Å²	0	44.8 Å²	44.8	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.7	-69.6	172.4	0	0	0	0	0	110.7	R61 G178 L179	R61-G196 WeakPolarHBondContact CG-O 3.39Å; R61-G196 PolarHBondContact NE-O 2.84Å; G178-G196 PolarHBondContact O-N 3.4Å; L179-G196 CarbonylContact O-C 3.51Å; L179-G196 WeakPolarHBondContact O-CA 3.26Å; L179-G196 PolarHBondContact O-N 3.23Å
197	F	96	Very high	89	Confident	3 Å²	3	39.9 Å²	39.9	1%	0.013	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	137.4	-176.5	-54	-90.7	0	0	0	110.4	V24 I26 I53 V57 I58 R61 L179 L180 V181 I199	V24-F197 HydrophobicContact CB-CD1 3.68Å; V24-F197 HydrophobicContact CB-CE1 4.08Å; V24-F197 HydrophobicContact CG1-CD1 3.63Å; V24-F197 HydrophobicContact CG1-CE1 3.91Å; V24-F197 HydrophobicContact CG2-CD1 4.44Å; V24-F197 HydrophobicContact CG2-CE1 4.39Å; V24-F197 WeakPolarHBondContact O-CA 3.27Å; I26-F197 HydrophobicContact CD1-CD1 4.48Å; I53-F197 HydrophobicContact CD1-CB 4.03Å; I53-F197 HydrophobicContact CD1-CD1 4.19Å; I53-F197 HydrophobicContact CD1-CD2 3.99Å; I53-F197 HydrophobicContact CD1-CG 3.8Å; I53-F197 HydrophobicContact CG2-CE1 4.14Å; I53-F197 HydrophobicContact CG2-CE2 4.24Å; I53-F197 HydrophobicContact CG2-CZ 3.95Å; V57-F197 HydrophobicContact CG1-CE1 3.91Å; V57-F197 HydrophobicContact CG1-CZ 3.98Å; I58-F197 HydrophobicContact CG1-CE2 4.43Å; R61-F197 HydrophobicContact CB-CE1 4.23Å; R61-F197 HydrophobicContact CB-CE2 3.79Å; R61-F197 HydrophobicContact CB-CZ 3.42Å; R61-F197 VanDerWaalsContact CB-CZ 3.42Å; R61-F197 HydrophobicContact CG-CD2 4.43Å; R61-F197 HydrophobicContact CG-CE1 4.29Å; R61-F197 HydrophobicContact CG-CE2 3.8Å; R61-F197 HydrophobicContact CG-CZ 3.72Å; L179-F197 HydrophobicContact CD1-CD2 4.05Å; L179-F197 HydrophobicContact CD1-CE2 4Å; L179-F197 PolarHBondContact O-N 3.37Å; L180-F197 CarbonylContact C-O 3.57Å; L180-F197 WeakPolarHBondContact CA-O 3.35Å; L180-F197 HydrophobicContact CD2-CB 3.88Å; L180-F197 HydrophobicContact CD2-CD2 4.05Å; L180-F197 HydrophobicContact CD2-CG 4.36Å; V181-F197 PolarHBondContact N-O 3.32Å; F197-I199 HydrophobicContact CB-CG2 4.19Å
198	E	94.8	Very high	90.5	Very high	40 Å²	40	37.2 Å²	37.2	19%	0.187	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	121.1	167.3	-174.6	-170.9	-146.2	0	0	108.9	L23 V24 Q25 I26 V181 R183	L23-E198 HydrophobicContact CD1-CB 3.94Å; L23-E198 HydrophobicContact CD2-CB 3.81Å; L23-E198 HydrophobicContact CD2-CG 4.36Å; L23-E198 HydrophobicContact CG-CB 3.94Å; V24-E198 PolarHBondContact O-N 2.92Å; Q25-E198 VanDerWaalsContact CD-OE2 3.27Å; Q25-E198 WeakPolarHBondContact CG-OE2 3.39Å; I26-E198 PolarHBondContact N-O 2.85Å; V181-E198 CarbonylContact O-C 3.57Å; V181-E198 VanDerWaalsContact O-CA 3.31Å; V181-E198 WeakPolarHBondContact O-CA 3.2Å; R183-E198 WeakPolarHBondContact CD-OE1 3.36Å; R183-E198 HydrophobicContact CG-CG 3.41Å; R183-E198 VanDerWaalsContact CG-CG 3.41Å; R183-E198 WeakPolarHBondContact CG-OE1 3.32Å; R183-E198 PolarHBondContact NH1-O 2.79Å; R183-E198 IonicContact NH1-OE2 2.86Å
199	I	94.9	Very high	92.4	Very high	0 Å²	0	32 Å²	32	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	152.5	-172.3	67	165.4	0	0	0	111.9	I26 Y52 I53 I152 L180 V181 K182 R183 F197 V204	I26-I199 HydrophobicContact CD1-CG2 3.94Å; I26-I199 HydrophobicContact CG1-CG2 4.39Å; Y52-I199 HydrophobicContact CE1-CB 4.2Å; Y52-I199 HydrophobicContact CE1-CG2 4.11Å; I53-I199 HydrophobicContact CD1-CG2 4.32Å; I152-I199 HydrophobicContact CD1-CD1 4.44Å; L180-I199 HydrophobicContact CB-CD1 4.43Å; L180-I199 HydrophobicContact CD1-CD1 4.14Å; L180-I199 HydrophobicContact CD2-CG2 4.17Å; V181-I199 PolarHBondContact O-N 2.95Å; K182-I199 CarbonylContact C-O 3.56Å; K182-I199 WeakPolarHBondContact CA-O 3.35Å; K182-I199 HydrophobicContact CG-CD1 4.05Å; K182-I199 HydrophobicContact CG-CG1 3.89Å; R183-I199 PolarHBondContact N-O 3.43Å; F197-I199 HydrophobicContact CB-CG2 4.19Å; I199-V204 HydrophobicContact CD1-CG1 4.36Å; I199-V204 HydrophobicContact CD1-CG2 4.01Å
200	P	94	Very high	93.8	Very high	7 Å²	7	28.5 Å²	28.5	5%	0.045	15%	0.15	C	C	.	.			trans	-59.9	166.7	166.4	-14	27.3	0	0	0	111.3	K27 Y52 R202	K27-P200 WeakPolarHBondContact O-CG 3.29Å; Y52-P200 WeakPolarHBondContact OH-CD 3.44Å; Y52-P200 VanDerWaalsContact OH-CG 3.29Å; Y52-P200 WeakPolarHBondContact OH-CG 3.48Å; P200-R202 HydrophobicContact CB-CG 4.41Å; P200-R202 PolarHBondContact O-N 3.19Å
201	N	92.3	Very high	94.9	Very high	100 Å²	100	23.8 Å²	23.8	54%	0.535	12%	0.116	S	C	.	.	S	Bend	trans	-72.6	76.6	175.1	-169.3	17	0	0	0	112.1	K182 L184	K182-N201 PolarHBondContact NZ-OD1 3.21Å; L184-N201 HydrophobicContact CD2-CB 3.82Å
202	R	92.8	Very high	95.5	Very high	114 Å²	114	23.9 Å²	23.9	43%	0.43	12%	0.117	S	C	.	.			trans	-114.9	149.8	172.9	-64.7	-75.1	-177.2	164	0.1	109.1	K182 P200 V204	K182-R202 WeakPolarHBondContact CE-O 3.25Å; P200-R202 HydrophobicContact CB-CG 4.41Å; P200-R202 PolarHBondContact O-N 3.19Å; R202-V204 HydrophobicContact CB-CG1 4.38Å
203	F	95.4	Very high	95.9	Very high	36 Å²	36	27.8 Å²	27.8	16%	0.158	13%	0.134	C	C	.	.			trans	-86.3	114.8	171.2	-161.1	-81.3	0	0	0	108.7	D124 V205 Y211 I224	D124-F203 HydrophobicContact CB-CD2 3.55Å; D124-F203 HydrophobicContact CB-CE2 3.6Å; D124-F203 HydrophobicContact CB-CG 4.34Å; D124-F203 HydrophobicContact CB-CZ 4.4Å; F203-V205 HydrophobicContact CD1-CG1 4.23Å; F203-V205 HydrophobicContact CE1-CG1 3.9Å; F203-Y211 HydrophobicContact CD1-CD2 4.41Å; F203-Y211 AromaticContact CE1-CD2 3.62Å; F203-Y211 HydrophobicContact CE1-CD2 3.62Å; F203-Y211 HydrophobicContact CE1-CG 4.21Å; F203-Y211 AromaticContact CZ-CD2 3.74Å; F203-Y211 HydrophobicContact CZ-CD2 3.74Å; F203-I224 HydrophobicContact CB-CG2 4.18Å; F203-I224 HydrophobicContact CD1-CG2 3.62Å; F203-I224 HydrophobicContact CG-CG2 4.29Å; F203-I224 PolarHBondContact O-N 3.15Å
204	V	97.7	Very high	96	Very high	8 Å²	8	30.2 Å²	30.2	5%	0.048	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	148.3	-175.2	-65.7	0	0	0	0	110.6	Y52 I152 L180 I199 R202 L209 I221 C222 V223	Y52-V204 HydrophobicContact CD1-CG1 4.17Å; I152-V204 HydrophobicContact CD1-CG2 4.16Å; L180-V204 HydrophobicContact CD1-CG2 3.79Å; I199-V204 HydrophobicContact CD1-CG1 4.36Å; I199-V204 HydrophobicContact CD1-CG2 4.01Å; R202-V204 HydrophobicContact CB-CG1 4.38Å; V204-L209 HydrophobicContact CG2-CD1 4.07Å; V204-I221 HydrophobicContact CB-CG2 3.78Å; V204-I221 HydrophobicContact CG1-CG2 4.25Å; V204-I221 HydrophobicContact CG2-CG2 4.14Å; V204-C222 CarbonylContact C-O 3.59Å; V204-C222 WeakPolarHBondContact CA-O 3.39Å; V204-V223 HydrophobicContact CG1-CG2 4.32Å
205	V	98.4	Very high	96.2	Very high	0 Å²	0	30 Å²	30	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	166.2	-179.1	-64.6	0	0	0	0	110.1	I48 F203 F215 L218 I221 C222 I224	I48-V205 HydrophobicContact CG2-CG2 4.32Å; F203-V205 HydrophobicContact CD1-CG1 4.23Å; F203-V205 HydrophobicContact CE1-CG1 3.9Å; V205-F215 HydrophobicContact CB-CB 3.69Å; V205-F215 HydrophobicContact CB-CD2 4.26Å; V205-F215 HydrophobicContact CB-CG 4.01Å; V205-F215 HydrophobicContact CG1-CB 4.35Å; V205-F215 HydrophobicContact CG1-CD2 4.07Å; V205-F215 HydrophobicContact CG1-CG 4.34Å; V205-F215 HydrophobicContact CG2-CB 3.93Å; V205-F215 HydrophobicContact CG2-CD1 4.09Å; V205-F215 HydrophobicContact CG2-CD2 4.34Å; V205-F215 HydrophobicContact CG2-CG 3.89Å; V205-L218 HydrophobicContact CG2-CD1 4.22Å; V205-I221 CarbonylContact O-C 3.54Å; V205-I221 WeakPolarHBondContact O-CA 3.39Å; V205-C222 HydrophobicContact CG2-CB 4.5Å; V205-C222 PolarHBondContact N-O 3.27Å; V205-C222 PolarHBondContact O-N 3.02Å; V205-I224 HydrophobicContact CG1-CB 4.27Å; V205-I224 HydrophobicContact CG1-CD1 4.45Å; V205-I224 HydrophobicContact CG2-CB 4.32Å
206	G	98.4	Very high	96.3	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	14%	0.139	C	C	.	.	B	Isolated β-bridge	trans	88.7	168.2	-179.4	0	0	0	0	0	114.2	A208 L209 F215 H220	G206-A208 VanDerWaalsContact C-N 3.3Å; G206-A208 PolarHBondContact O-N 2.85Å; G206-L209 PolarHBondContact N-O 2.71Å; G206-L209 WeakPolarHBondContact O-CB 3.38Å; G206-L209 WeakPolarHBondContact O-CG 3.41Å; G206-L209 PolarHBondContact O-N 2.89Å; G206-F215 VanDerWaalsContact CA-O 3.31Å; G206-F215 WeakPolarHBondContact CA-O 3.02Å; G206-H220 CarbonylContact C-O 3.58Å; G206-H220 WeakPolarHBondContact CA-O 3.43Å
207	Y	98.5	Very high	96.4	Very high	4 Å²	4	34.8 Å²	34.8	2%	0.016	16%	0.161	C	C	.	.	T	Hydrogen-bonded Turn	trans	49.3	53.9	-164.5	-164.3	-102.3	0	0	0	111	H55 I58 I62 K89 F90 D93 L179 L209 L218	H55-Y207 AromaticContact CD2-CD2 3.99Å; H55-Y207 AromaticContact CD2-CE2 3.93Å; I58-Y207 HydrophobicContact CD1-CD1 4.47Å; I58-Y207 HydrophobicContact CD1-CD2 4.14Å; I58-Y207 HydrophobicContact CD1-CG 4.01Å; I58-Y207 HydrophobicContact CG2-CD1 4.2Å; I58-Y207 HydrophobicContact CG2-CD2 4.39Å; I58-Y207 HydrophobicContact CG2-CE1 3.75Å; I58-Y207 HydrophobicContact CG2-CE2 3.97Å; I58-Y207 HydrophobicContact CG2-CG 4.49Å; I62-Y207 HydrophobicContact CD1-CE1 4.22Å; I62-Y207 WeakPolarHBondContact CD1-OH 3.48Å; K89-Y207 HydrophobicContact CB-CE1 4.44Å; K89-Y207 HydrophobicContact CD-CE2 4.43Å; K89-Y207 HydrophobicContact CG-CD1 4.38Å; K89-Y207 HydrophobicContact CG-CD2 3.9Å; K89-Y207 HydrophobicContact CG-CE1 4.1Å; K89-Y207 HydrophobicContact CG-CE2 3.58Å; K89-Y207 HydrophobicContact CG-CG 4.29Å; F90-Y207 HydrophobicContact CB-CE1 4.03Å; D93-Y207 WeakPolarHBondContact CB-OH 3.47Å; D93-Y207 PolarHBondContact OD2-OH 2.85Å; L179-Y207 HydrophobicContact CD2-CD1 3.46Å; L179-Y207 VanDerWaalsContact CD2-CD1 3.46Å; L179-Y207 HydrophobicContact CD2-CE1 3.54Å; Y207-L209 PolarHBondContact O-N 3.27Å; Y207-L218 WeakPolarHBondContact CA-O 3.46Å; Y207-L218 PolarHBondContact N-O 3.31Å
208	A	98	Very high	96.5	Very high	1 Å²	1	34.8 Å²	34.8	1%	0.008	16%	0.161	C	C	.	.	T	Hydrogen-bonded Turn	trans	69	-10	-173.1	0	0	0	0	0	117.8	G86 Y88 K89 G206 R216	G86-A208 WeakPolarHBondContact CA-O 3.31Å; G86-A208 VanDerWaalsContact O-CB 3.27Å; G86-A208 WeakPolarHBondContact O-CB 3.2Å; Y88-A208 HydrophobicContact CD1-CB 3.56Å; Y88-A208 HydrophobicContact CE1-CB 3.18Å; Y88-A208 HydrophobicContact CG-CB 4.48Å; K89-A208 HydrophobicContact CB-CB 3.65Å; G206-A208 VanDerWaalsContact C-N 3.3Å; G206-A208 PolarHBondContact O-N 2.85Å; A208-R216 PolarHBondContact N-O 3.37Å; A208-R216 WeakPolarHBondContact O-CG 3.47Å; A208-R216 PolarHBondContact O-NH1 3.05Å
209	L	97.5	Very high	96.6	Very high	13 Å²	13	37.3 Å²	37.3	7%	0.068	18%	0.176	C	C	.	.	B	Isolated β-bridge	trans	-68.3	147.7	166.9	-60.3	166.1	0	0	0	110.1	A151 I152 L180 V204 G206 Y207	A151-L209 HydrophobicContact CB-CD2 3.59Å; A151-L209 HydrophobicContact CB-CG 4.37Å; I152-L209 HydrophobicContact CB-CD2 4.04Å; I152-L209 HydrophobicContact CG2-CD2 3.63Å; L180-L209 HydrophobicContact CD1-CD1 3.52Å; V204-L209 HydrophobicContact CG2-CD1 4.07Å; G206-L209 PolarHBondContact N-O 2.71Å; G206-L209 WeakPolarHBondContact O-CB 3.38Å; G206-L209 WeakPolarHBondContact O-CG 3.41Å; G206-L209 PolarHBondContact O-N 2.89Å; Y207-L209 PolarHBondContact O-N 3.27Å
210	D	96.9	Very high	96.8	Very high	43 Å²	43	38.2 Å²	38.2	23%	0.23	18%	0.18	C	C	.	.			trans	-132.5	166.9	-172.9	74.8	-73.9	0	0	0	114.5	N212 E213 Y214 R216	D210-N212 PolarHBondContact OD2-N 3.27Å; D210-E213 WeakPolarHBondContact OD2-CA 3.21Å; D210-E213 PolarHBondContact OD2-N 3.45Å; D210-Y214 WeakPolarHBondContact CA-O 3.42Å; D210-Y214 WeakPolarHBondContact CB-O 3.37Å; D210-R216 HydrophobicContact CB-CG 3.72Å; D210-R216 VanDerWaalsContact CB-CZ 3.46Å; D210-R216 VanDerWaalsContact CG-NH1 3.35Å; D210-R216 IonicContact OD1-CZ 2.64Å; D210-R216 IonicContact OD1-NH1 3.72Å; D210-R216 PolarHBondContact OD1-NH1 2.91Å; D210-R216 IonicContact OD1-NH2 2.99Å; D210-R216 PolarHBondContact OD1-NH2 3.17Å; D210-R216 IonicContact OD2-CZ 3.28Å; D210-R216 IonicContact OD2-NH2 2.8Å; D210-R216 PolarHBondContact OD2-NH2 3.45Å
211	Y	96.9	Very high	97	Very high	6 Å²	6	37.9 Å²	37.9	2%	0.024	18%	0.178	C	C	.	.	B	Isolated β-bridge	trans	-126.9	111.3	156.2	-177.8	-107.2	0	0	0	107.7	N123 D124 F203 E213 Y214 F215 I224 K229	N123-Y211 HydrophobicContact CB-CE2 4.42Å; D124-Y211 HydrophobicContact CB-CE2 4.37Å; F203-Y211 HydrophobicContact CD1-CD2 4.41Å; F203-Y211 AromaticContact CE1-CD2 3.62Å; F203-Y211 HydrophobicContact CE1-CD2 3.62Å; F203-Y211 HydrophobicContact CE1-CG 4.21Å; F203-Y211 AromaticContact CZ-CD2 3.74Å; F203-Y211 HydrophobicContact CZ-CD2 3.74Å; Y211-E213 VanDerWaalsContact C-N 3.33Å; Y211-E213 PolarHBondContact O-N 2.89Å; Y211-Y214 PolarHBondContact N-O 3.35Å; Y211-Y214 WeakPolarHBondContact O-CB 3.22Å; Y211-Y214 PolarHBondContact O-N 2.99Å; Y211-Y214 VanDerWaalsContact O-N 3.09Å; Y211-F215 HydrophobicContact CD1-CE2 4.48Å; Y211-I224 HydrophobicContact CD1-CD1 3.66Å; Y211-I224 HydrophobicContact CD2-CD1 4.39Å; Y211-I224 HydrophobicContact CE1-CD1 4.36Å; Y211-I224 HydrophobicContact CG-CD1 3.68Å; Y211-K229 WeakPolarHBondContact CE1-O 3.41Å; Y211-K229 PolarHBondContact OH-O 2.67Å
212	N	95	Very high	97.3	Very high	25 Å²	25	33.1 Å²	33.1	13%	0.134	15%	0.153	C	C	.	.	T	Hydrogen-bonded Turn	trans	49.8	48.7	-177.2	-63.1	-30.8	0	0	0	113.7	N123 D210 Y214 Y232 I234	N123-N212 PolarHBondContact N-OD1 2.84Å; N123-N212 PolarHBondContact OD1-ND2 3.41Å; D210-N212 PolarHBondContact OD2-N 3.27Å; N212-Y214 WeakPolarHBondContact O-CD2 3.42Å; N212-Y214 WeakPolarHBondContact O-CE2 3.48Å; N212-Y214 PolarHBondContact O-N 3.24Å; N212-Y232 WeakPolarHBondContact CB-O 3.19Å; N212-Y232 PolarHBondContact ND2-O 3.11Å; N212-I234 HydrophobicContact CB-CD1 4.45Å; N212-I234 HydrophobicContact CB-CG2 4.23Å; N212-I234 PolarHBondContact ND2-N 2.82Å
213	E	95.8	Very high	97.5	Very high	96 Å²	96	28.1 Å²	28.1	45%	0.449	14%	0.135	S	C	.	.	T	Hydrogen-bonded Turn	trans	72.6	-5.4	-178.3	-55.4	-69.1	128.9	0	0	116.6	K85 D210 Y211 R216	K85-E213 WeakPolarHBondContact CD-OE2 3.49Å; K85-E213 IonicContact NZ-OE2 3.74Å; K85-E213 PolarHBondContact NZ-OE2 3.43Å; D210-E213 WeakPolarHBondContact OD2-CA 3.21Å; D210-E213 PolarHBondContact OD2-N 3.45Å; Y211-E213 VanDerWaalsContact C-N 3.33Å; Y211-E213 PolarHBondContact O-N 2.89Å; E213-R216 IonicContact OE1-CZ 3.3Å; E213-R216 IonicContact OE1-NH2 3.58Å; E213-R216 PolarHBondContact OE1-NH2 2.83Å; E213-R216 IonicContact OE2-NE 3.15Å; E213-R216 IonicContact OE2-NH2 2.68Å
214	Y	97.7	Very high	97.7	Very high	114 Å²	114	26.7 Å²	26.7	45%	0.447	13%	0.129	S	C	.	.	B	Isolated β-bridge	trans	-84.8	166.7	173.5	-62.5	-88.6	0	0	0	112.1	D210 Y211 N212 R216 Y232	D210-Y214 WeakPolarHBondContact CA-O 3.42Å; D210-Y214 WeakPolarHBondContact CB-O 3.37Å; Y211-Y214 PolarHBondContact N-O 3.35Å; Y211-Y214 WeakPolarHBondContact O-CB 3.22Å; Y211-Y214 PolarHBondContact O-N 2.99Å; Y211-Y214 VanDerWaalsContact O-N 3.09Å; N212-Y214 WeakPolarHBondContact O-CD2 3.42Å; N212-Y214 WeakPolarHBondContact O-CE2 3.48Å; N212-Y214 PolarHBondContact O-N 3.24Å; Y214-R216 PolarHBondContact O-N 3.14Å; Y214-Y232 AromaticContact CD1-CD1 3.61Å; Y214-Y232 HydrophobicContact CD1-CD1 3.61Å; Y214-Y232 AromaticContact CD1-CE1 3.52Å; Y214-Y232 HydrophobicContact CD1-CE1 3.52Å; Y214-Y232 AromaticContact CD2-CD1 3.46Å; Y214-Y232 HydrophobicContact CD2-CD1 3.46Å; Y214-Y232 VanDerWaalsContact CD2-CD1 3.46Å; Y214-Y232 HydrophobicContact CD2-CE1 4.25Å; Y214-Y232 AromaticContact CD2-CG 3.87Å; Y214-Y232 HydrophobicContact CD2-CG 3.87Å; Y214-Y232 AromaticContact CE1-CD1 3.74Å; Y214-Y232 HydrophobicContact CE1-CD1 3.74Å; Y214-Y232 AromaticContact CE1-CE1 3.71Å; Y214-Y232 HydrophobicContact CE1-CE1 3.71Å; Y214-Y232 AromaticContact CE2-CD1 3.61Å; Y214-Y232 HydrophobicContact CE2-CD1 3.61Å; Y214-Y232 HydrophobicContact CE2-CE1 4.43Å; Y214-Y232 HydrophobicContact CE2-CG 4.32Å; Y214-Y232 AromaticContact CG-CD1 3.46Å; Y214-Y232 HydrophobicContact CG-CD1 3.46Å; Y214-Y232 VanDerWaalsContact CG-CD1 3.46Å; Y214-Y232 AromaticContact CG-CE1 3.81Å; Y214-Y232 HydrophobicContact CG-CE1 3.81Å; Y214-Y232 AromaticContact CG-CG 3.99Å; Y214-Y232 HydrophobicContact CG-CG 3.99Å; Y214-Y232 AromaticContact CZ-CD1 3.74Å
215	F	98.3	Very high	97.7	Very high	0 Å²	0	27 Å²	27	0%	0	13%	0.131	C	C	.	.	S	Bend	trans	70.9	-1.5	174.4	-50.3	-82.1	0	0	0	116.5	Y44 D47 I48 V205 G206 Y211 D217 L218 I224 Y232	Y44-F215 AromaticContact CD1-CD1 3.52Å; Y44-F215 HydrophobicContact CD1-CD1 3.52Å; Y44-F215 AromaticContact CD1-CE1 3.29Å; Y44-F215 HydrophobicContact CD1-CE1 3.29Å; Y44-F215 HydrophobicContact CD1-CZ 4.21Å; Y44-F215 HydrophobicContact CD2-CD1 4.09Å; Y44-F215 AromaticContact CE1-CD1 3.5Å; Y44-F215 HydrophobicContact CE1-CD1 3.5Å; Y44-F215 AromaticContact CE1-CE1 3.57Å; Y44-F215 HydrophobicContact CE1-CE1 3.57Å; Y44-F215 HydrophobicContact CE1-CG 4.19Å; Y44-F215 HydrophobicContact CE1-CZ 4.27Å; Y44-F215 HydrophobicContact CE2-CD1 4.04Å; Y44-F215 AromaticContact CG-CD1 3.83Å; Y44-F215 HydrophobicContact CG-CD1 3.83Å; Y44-F215 AromaticContact CG-CE1 3.87Å; Y44-F215 HydrophobicContact CG-CE1 3.87Å; Y44-F215 AromaticContact CZ-CD1 3.76Å; Y44-F215 PolarHBondContact OH-N 2.79Å; D47-F215 HydrophobicContact CB-CE1 3.77Å; D47-F215 HydrophobicContact CB-CZ 3.9Å; I48-F215 HydrophobicContact CG2-CD1 4.33Å; I48-F215 HydrophobicContact CG2-CE1 4.07Å; V205-F215 HydrophobicContact CB-CB 3.69Å; V205-F215 HydrophobicContact CB-CD2 4.26Å; V205-F215 HydrophobicContact CB-CG 4.01Å; V205-F215 HydrophobicContact CG1-CB 4.35Å; V205-F215 HydrophobicContact CG1-CD2 4.07Å; V205-F215 HydrophobicContact CG1-CG 4.34Å; V205-F215 HydrophobicContact CG2-CB 3.93Å; V205-F215 HydrophobicContact CG2-CD1 4.09Å; V205-F215 HydrophobicContact CG2-CD2 4.34Å; V205-F215 HydrophobicContact CG2-CG 3.89Å; G206-F215 VanDerWaalsContact CA-O 3.31Å; G206-F215 WeakPolarHBondContact CA-O 3.02Å; Y211-F215 HydrophobicContact CD1-CE2 4.48Å; F215-D217 PolarHBondContact O-N 3.23Å; F215-D217 VanDerWaalsContact O-N 3.13Å; F215-L218 HydrophobicContact CB-CD1 4.02Å; F215-L218 HydrophobicContact CB-CG 4.35Å; F215-L218 HydrophobicContact CD1-CD1 3.77Å; F215-L218 HydrophobicContact CD1-CG 4.44Å; F215-L218 HydrophobicContact CG-CD1 4.36Å; F215-L218 WeakPolarHBondContact O-CB 3.07Å; F215-L218 PolarHBondContact O-N 3.16Å; F215-I224 HydrophobicContact CD2-CD1 4.45Å; F215-I224 HydrophobicContact CE2-CD1 3.6Å; F215-I224 HydrophobicContact CE2-CG1 4.35Å; F215-I224 HydrophobicContact CZ-CD1 3.86Å; F215-I224 HydrophobicContact CZ-CG1 4.16Å; F215-Y232 HydrophobicContact CE1-CE2 4.08Å; F215-Y232 AromaticContact CE2-CD2 3.5Å; F215-Y232 HydrophobicContact CE2-CD2 3.5Å; F215-Y232 VanDerWaalsContact CE2-CD2 3.5Å; F215-Y232 AromaticContact CE2-CE2 3.79Å; F215-Y232 HydrophobicContact CE2-CE2 3.79Å; F215-Y232 HydrophobicContact CE2-CG 4.27Å; F215-Y232 AromaticContact CZ-CD2 3.44Å; F215-Y232 HydrophobicContact CZ-CD2 3.44Å; F215-Y232 VanDerWaalsContact CZ-CD2 3.44Å; F215-Y232 AromaticContact CZ-CE2 3.29Å; F215-Y232 HydrophobicContact CZ-CE2 3.29Å
216	R	98	Very high	97.6	Very high	36 Å²	36	35.5 Å²	35.5	14%	0.136	17%	0.168	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61	-23.6	177.9	-62.1	-165.8	-171.8	-70.4	-2.1	113.3	A208 D210 E213 Y214	A208-R216 PolarHBondContact N-O 3.37Å; A208-R216 WeakPolarHBondContact O-CG 3.47Å; A208-R216 PolarHBondContact O-NH1 3.05Å; D210-R216 HydrophobicContact CB-CG 3.72Å; D210-R216 VanDerWaalsContact CB-CZ 3.46Å; D210-R216 VanDerWaalsContact CG-NH1 3.35Å; D210-R216 IonicContact OD1-CZ 2.64Å; D210-R216 IonicContact OD1-NH1 3.72Å; D210-R216 PolarHBondContact OD1-NH1 2.91Å; D210-R216 IonicContact OD1-NH2 2.99Å; D210-R216 PolarHBondContact OD1-NH2 3.17Å; D210-R216 IonicContact OD2-CZ 3.28Å; D210-R216 IonicContact OD2-NH2 2.8Å; D210-R216 PolarHBondContact OD2-NH2 3.45Å; E213-R216 IonicContact OE1-CZ 3.3Å; E213-R216 IonicContact OE1-NH2 3.58Å; E213-R216 PolarHBondContact OE1-NH2 2.83Å; E213-R216 IonicContact OE2-NE 3.15Å; E213-R216 IonicContact OE2-NH2 2.68Å; Y214-R216 PolarHBondContact O-N 3.14Å
217	D	97.3	Very high	97.6	Very high	84 Å²	84	39.1 Å²	39.1	45%	0.449	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.7	-3.3	178.8	61.7	-40.1	0	0	0	113.9	H43 Y44 F215	H43-D217 IonicContact CE1-OD2 3.86Å; H43-D217 IonicContact NE2-OD2 3.63Å; Y44-D217 WeakPolarHBondContact CE2-OD1 3.42Å; Y44-D217 PolarHBondContact OH-OD1 3.02Å; Y44-D217 VanDerWaalsContact OH-OD1 3.13Å; F215-D217 PolarHBondContact O-N 3.23Å; F215-D217 VanDerWaalsContact O-N 3.13Å
218	L	97.8	Very high	97.5	Very high	3 Å²	3	38.9 Å²	38.9	2%	0.016	19%	0.189	C	C	.	.			trans	-71.8	132.8	167.9	-71.6	-177.7	0	0	0	110.5	P41 Y44 I48 V205 Y207 F215	P41-L218 VanDerWaalsContact CD-CD2 3.47Å; P41-L218 HydrophobicContact CG-CD2 3.97Å; Y44-L218 HydrophobicContact CD2-CD1 4.29Å; Y44-L218 HydrophobicContact CD2-CD2 3.43Å; Y44-L218 VanDerWaalsContact CD2-CD2 3.43Å; Y44-L218 HydrophobicContact CD2-CG 3.78Å; Y44-L218 HydrophobicContact CE2-CD2 4.04Å; Y44-L218 HydrophobicContact CE2-CG 3.99Å; Y44-L218 HydrophobicContact CG-CD2 4.32Å; I48-L218 HydrophobicContact CG2-CD1 4.03Å; V205-L218 HydrophobicContact CG2-CD1 4.22Å; Y207-L218 WeakPolarHBondContact CA-O 3.46Å; Y207-L218 PolarHBondContact N-O 3.31Å; F215-L218 HydrophobicContact CB-CD1 4.02Å; F215-L218 HydrophobicContact CB-CG 4.35Å; F215-L218 HydrophobicContact CD1-CD1 3.77Å; F215-L218 HydrophobicContact CD1-CG 4.44Å; F215-L218 HydrophobicContact CG-CD1 4.36Å; F215-L218 WeakPolarHBondContact O-CB 3.07Å; F215-L218 PolarHBondContact O-N 3.16Å
219	N	97.3	Very high	97.5	Very high	94 Å²	94	41.7 Å²	41.7	50%	0.503	20%	0.201	S	C	.	.	S	Bend	trans	-76.1	-35.6	176.1	-68.3	-34.2	0	0	0	112.8	H55	H55-N219 HydrophobicContact CB-CB 4.32Å; H55-N219 PolarHBondContact CD2-O 2.98Å
220	H	98.4	Very high	97.4	Very high	19 Å²	19	47.7 Å²	47.7	9%	0.088	23%	0.23	C	C	.	.	S	Bend	trans	-86.6	152.9	-179.7	-57.4	-32.8	0	0	0	110.5	F38 T39 V51 H55 G206	F38-H220 AromaticContact CD1-NE2 3.72Å; T39-H220 PolarHBondContact O-NE2 2.88Å; V51-H220 HydrophobicContact CG1-CB 3.97Å; V51-H220 HydrophobicContact CG2-CB 4.39Å; H55-H220 WeakPolarHBondContact CB-ND1 3.43Å; H55-H220 PolarHBondContact N-ND1 3.08Å; H55-H220 VanDerWaalsContact N-ND1 3.11Å; G206-H220 CarbonylContact C-O 3.58Å; G206-H220 WeakPolarHBondContact CA-O 3.43Å
221	I	98.6	Very high	97.4	Very high	0 Å²	0	51.3 Å²	51.3	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	120.4	163.6	-64.3	165.1	0	0	0	106.6	Y52 I53 I58 L179 L180 V204 V205	Y52-I221 WeakPolarHBondContact CA-O 3.05Å; Y52-I221 WeakPolarHBondContact CB-O 3.29Å; Y52-I221 PolarHBondContact N-O 3.36Å; I53-I221 HydrophobicContact CB-CB 4.13Å; I53-I221 HydrophobicContact CB-CD1 4.43Å; I53-I221 HydrophobicContact CD1-CD1 4.24Å; I53-I221 HydrophobicContact CG1-CB 4.5Å; I53-I221 PolarHBondContact N-O 3.26Å; I53-I221 PolarHBondContact O-N 3.17Å; I53-I221 VanDerWaalsContact O-N 3.08Å; I58-I221 HydrophobicContact CD1-CB 4.44Å; I58-I221 HydrophobicContact CD1-CD1 3.48Å; I58-I221 VanDerWaalsContact CD1-CD1 3.48Å; I58-I221 HydrophobicContact CD1-CG1 3.66Å; I58-I221 HydrophobicContact CG1-CD1 4.11Å; L179-I221 HydrophobicContact CD2-CD1 4.1Å; L180-I221 HydrophobicContact CD1-CD1 4.12Å; L180-I221 HydrophobicContact CD1-CG2 4.3Å; L180-I221 HydrophobicContact CD2-CD1 4.06Å; L180-I221 HydrophobicContact CG-CD1 4.36Å; V204-I221 HydrophobicContact CB-CG2 3.78Å; V204-I221 HydrophobicContact CG1-CG2 4.25Å; V204-I221 HydrophobicContact CG2-CG2 4.14Å; V205-I221 CarbonylContact O-C 3.54Å; V205-I221 WeakPolarHBondContact O-CA 3.39Å
222	C	98.6	Very high	97.4	Very high	0 Å²	0	52.1 Å²	52.1	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122	155.8	-175.8	-62.7	0	0	0	0	110.8	I48 N50 V204 V205	I48-C222 HydrophobicContact CB-CB 4.17Å; I48-C222 HydrophobicContact CD1-CB 4.41Å; I48-C222 HydrophobicContact CG2-CB 4.06Å; N50-C222 VanDerWaalsContact O-CA 3.27Å; N50-C222 WeakPolarHBondContact O-CA 3.36Å; N50-C222 VanDerWaalsContact O-CB 3.26Å; N50-C222 WeakPolarHBondContact O-CB 3.2Å; V204-C222 CarbonylContact C-O 3.59Å; V204-C222 WeakPolarHBondContact CA-O 3.39Å; V205-C222 HydrophobicContact CG2-CB 4.5Å; V205-C222 PolarHBondContact N-O 3.27Å; V205-C222 PolarHBondContact O-N 3.02Å
223	V	98.1	Very high	97.4	Very high	9 Å²	9	57.7 Å²	57.7	6%	0.055	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	129.8	166.5	179.1	0	0	0	0	108.4	I48 E49 N50 Y52 V204	I48-V223 WeakPolarHBondContact CA-O 3.33Å; E49-V223 HydrophobicContact CB-CB 4.37Å; E49-V223 HydrophobicContact CB-CG1 4.39Å; E49-V223 PolarHBondContact N-O 3.34Å; N50-V223 PolarHBondContact O-N 2.67Å; Y52-V223 HydrophobicContact CD2-CG2 3.6Å; Y52-V223 HydrophobicContact CE2-CG2 4.21Å; Y52-V223 HydrophobicContact CG-CG2 3.94Å; V204-V223 HydrophobicContact CG1-CG2 4.32Å
224	I	98.1	Very high	97.1	Very high	6 Å²	6	60.3 Å²	60.3	3%	0.031	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.4	136	176.7	-168.3	172.5	0	0	0	110.6	D47 F203 V205 Y211 F215 K229	D47-I224 WeakPolarHBondContact O-CG1 3.3Å; F203-I224 HydrophobicContact CB-CG2 4.18Å; F203-I224 HydrophobicContact CD1-CG2 3.62Å; F203-I224 HydrophobicContact CG-CG2 4.29Å; F203-I224 PolarHBondContact O-N 3.15Å; V205-I224 HydrophobicContact CG1-CB 4.27Å; V205-I224 HydrophobicContact CG1-CD1 4.45Å; V205-I224 HydrophobicContact CG2-CB 4.32Å; Y211-I224 HydrophobicContact CD1-CD1 3.66Å; Y211-I224 HydrophobicContact CD2-CD1 4.39Å; Y211-I224 HydrophobicContact CE1-CD1 4.36Å; Y211-I224 HydrophobicContact CG-CD1 3.68Å; F215-I224 HydrophobicContact CD2-CD1 4.45Å; F215-I224 HydrophobicContact CE2-CD1 3.6Å; F215-I224 HydrophobicContact CE2-CG1 4.35Å; F215-I224 HydrophobicContact CZ-CD1 3.86Å; F215-I224 HydrophobicContact CZ-CG1 4.16Å; I224-K229 HydrophobicContact CD1-CG 3.96Å; I224-K229 HydrophobicContact CG1-CG 4.14Å; I224-K229 HydrophobicContact CG2-CD 4.21Å; I224-K229 HydrophobicContact CG2-CG 3.7Å
225	S	97.8	Very high	97	Very high	14 Å²	14	57.6 Å²	57.6	10%	0.098	28%	0.278	C	S	.	.	P	Polyproline II helix	trans	-74.2	165.2	177.6	85.3	0	0	0	0	111.3	D46 D47 T227 G228 K229	D46-S225 PolarHBondContact O-OG 3.18Å; D47-S225 VanDerWaalsContact C-OG 3.32Å; D47-S225 PolarHBondContact O-N 3.3Å; D47-S225 PolarHBondContact O-OG 2.9Å; S225-T227 VanDerWaalsContact C-N 3.25Å; S225-T227 PolarHBondContact O-N 3.05Å; S225-T227 PolarHBondContact OG-N 3.03Å; S225-G228 PolarHBondContact O-N 2.67Å; S225-G228 PolarHBondContact OG-N 3.33Å; S225-K229 PolarHBondContact O-N 2.99Å
226	K	97.2	Very high	97	Very high	179 Å²	179	60.6 Å²	60.6	78%	0.778	29%	0.292	S	S	*	.	H	α-helix	trans	-60.2	-39.1	171.1	-67.6	-178.2	-177	175.4	0	111.5	K229 M230	K226-K229 PolarHBondContact O-N 2.77Å; K226-M230 WeakPolarHBondContact O-CG 3.08Å; K226-M230 PolarHBondContact O-N 3.44Å
227	T	97.3	Very high	96.9	Very high	75 Å²	75	62 Å²	62	46%	0.46	30%	0.301	S	S	.	.	H	α-helix	trans	-61.8	-48.6	177.3	-53	0	0	0	0	110.8	S225 K229 M230 K231	S225-T227 VanDerWaalsContact C-N 3.25Å; S225-T227 PolarHBondContact O-N 3.05Å; S225-T227 PolarHBondContact OG-N 3.03Å; T227-K229 PolarHBondContact O-N 2.82Å; T227-M230 PolarHBondContact O-N 3.45Å; T227-K231 WeakPolarHBondContact O-CB 3.26Å; T227-K231 PolarHBondContact O-N 3.4Å
228	G	97.4	Very high	96.9	Very high	0 Å²	0	60.7 Å²	60.7	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-59.8	-45.4	176.6	0	0	0	0	0	112.2	S225 M230 K231 Y232	S225-G228 PolarHBondContact O-N 2.67Å; S225-G228 PolarHBondContact OG-N 3.33Å; G228-M230 VanDerWaalsContact C-N 3.31Å; G228-M230 PolarHBondContact O-N 2.92Å; G228-K231 PolarHBondContact O-N 2.75Å; G228-Y232 WeakPolarHBondContact O-CD2 3.13Å; G228-Y232 PolarHBondContact O-N 3.25Å; G228-Y232 VanDerWaalsContact O-N 3.14Å
229	K	96.7	Very high	96.8	Very high	60 Å²	60	64.3 Å²	64.3	26%	0.261	31%	0.31	S	S	.	.	H	α-helix	trans	-56.2	-44.3	174.6	-77	-168.2	172.3	-157.5	0	112.4	D124 Y211 I224 S225 K226 T227 K233	D124-K229 IonicContact OD2-NZ 3.62Å; D124-K229 PolarHBondContact OD2-NZ 3.42Å; Y211-K229 WeakPolarHBondContact CE1-O 3.41Å; Y211-K229 PolarHBondContact OH-O 2.67Å; I224-K229 HydrophobicContact CD1-CG 3.96Å; I224-K229 HydrophobicContact CG1-CG 4.14Å; I224-K229 HydrophobicContact CG2-CD 4.21Å; I224-K229 HydrophobicContact CG2-CG 3.7Å; S225-K229 PolarHBondContact O-N 2.99Å; K226-K229 PolarHBondContact O-N 2.77Å; T227-K229 PolarHBondContact O-N 2.82Å; K229-K233 WeakPolarHBondContact O-CB 3.42Å; K229-K233 PolarHBondContact O-N 3.32Å
230	M	96.6	Very high	96.8	Very high	138 Å²	138	62.3 Å²	62.3	68%	0.68	30%	0.297	S	S	*	.	H	α-helix	trans	-68.5	-41.4	179	-69.9	-176.6	-64.8	0	0	112.2	K226 T227 G228 Y232	K226-M230 WeakPolarHBondContact O-CG 3.08Å; K226-M230 PolarHBondContact O-N 3.44Å; T227-M230 PolarHBondContact O-N 3.45Å; G228-M230 VanDerWaalsContact C-N 3.31Å; G228-M230 PolarHBondContact O-N 2.92Å; M230-Y232 PolarHBondContact O-N 3.14Å
231	K	97.5	Very high	96.7	Very high	120 Å²	120	65.4 Å²	65.4	52%	0.522	31%	0.312	S	S	.	.	H	α-helix	trans	-63.3	-40	-176.2	-178.7	178.6	174.9	-175.2	0	113.3	D47 T227 G228	D47-K231 VanDerWaalsContact OD1-CD 3.25Å; D47-K231 WeakPolarHBondContact OD1-CD 3.4Å; D47-K231 IonicContact OD1-NZ 3.75Å; D47-K231 PolarHBondContact OD1-NZ 3.06Å; D47-K231 IonicContact OD2-NZ 2.77Å; D47-K231 PolarHBondContact OD2-NZ 2.86Å; T227-K231 WeakPolarHBondContact O-CB 3.26Å; T227-K231 PolarHBondContact O-N 3.4Å; G228-K231 PolarHBondContact O-N 2.75Å
232	Y	96.5	Very high	96.5	Very high	22 Å²	22	70.5 Å²	70.5	9%	0.086	34%	0.336	C	S	.	.	T	Hydrogen-bonded Turn	trans	-107.1	10	-172.8	-58.5	-68.1	0	0	0	113.7	Y44 D47 N212 Y214 F215 G228 M230	Y44-Y232 HydrophobicContact CE1-CE2 4.47Å; D47-Y232 HydrophobicContact CB-CE2 4.04Å; D47-Y232 VanDerWaalsContact OD2-CE2 3.24Å; D47-Y232 WeakPolarHBondContact OD2-CE2 3.27Å; D47-Y232 PolarHBondContact OD2-OH 3.29Å; N212-Y232 WeakPolarHBondContact CB-O 3.19Å; N212-Y232 PolarHBondContact ND2-O 3.11Å; Y214-Y232 AromaticContact CD1-CD1 3.61Å; Y214-Y232 HydrophobicContact CD1-CD1 3.61Å; Y214-Y232 AromaticContact CD1-CE1 3.52Å; Y214-Y232 HydrophobicContact CD1-CE1 3.52Å; Y214-Y232 AromaticContact CD2-CD1 3.46Å; Y214-Y232 HydrophobicContact CD2-CD1 3.46Å; Y214-Y232 VanDerWaalsContact CD2-CD1 3.46Å; Y214-Y232 HydrophobicContact CD2-CE1 4.25Å; Y214-Y232 AromaticContact CD2-CG 3.87Å; Y214-Y232 HydrophobicContact CD2-CG 3.87Å; Y214-Y232 AromaticContact CE1-CD1 3.74Å; Y214-Y232 HydrophobicContact CE1-CD1 3.74Å; Y214-Y232 AromaticContact CE1-CE1 3.71Å; Y214-Y232 HydrophobicContact CE1-CE1 3.71Å; Y214-Y232 AromaticContact CE2-CD1 3.61Å; Y214-Y232 HydrophobicContact CE2-CD1 3.61Å; Y214-Y232 HydrophobicContact CE2-CE1 4.43Å; Y214-Y232 HydrophobicContact CE2-CG 4.32Å; Y214-Y232 AromaticContact CG-CD1 3.46Å; Y214-Y232 HydrophobicContact CG-CD1 3.46Å; Y214-Y232 VanDerWaalsContact CG-CD1 3.46Å; Y214-Y232 AromaticContact CG-CE1 3.81Å; Y214-Y232 HydrophobicContact CG-CE1 3.81Å; Y214-Y232 AromaticContact CG-CG 3.99Å; Y214-Y232 HydrophobicContact CG-CG 3.99Å; Y214-Y232 AromaticContact CZ-CD1 3.74Å; F215-Y232 HydrophobicContact CE1-CE2 4.08Å; F215-Y232 AromaticContact CE2-CD2 3.5Å; F215-Y232 HydrophobicContact CE2-CD2 3.5Å; F215-Y232 VanDerWaalsContact CE2-CD2 3.5Å; F215-Y232 AromaticContact CE2-CE2 3.79Å; F215-Y232 HydrophobicContact CE2-CE2 3.79Å; F215-Y232 HydrophobicContact CE2-CG 4.27Å; F215-Y232 AromaticContact CZ-CD2 3.44Å; F215-Y232 HydrophobicContact CZ-CD2 3.44Å; F215-Y232 VanDerWaalsContact CZ-CD2 3.44Å; F215-Y232 AromaticContact CZ-CE2 3.29Å; F215-Y232 HydrophobicContact CZ-CE2 3.29Å; G228-Y232 WeakPolarHBondContact O-CD2 3.13Å; G228-Y232 PolarHBondContact O-N 3.25Å; G228-Y232 VanDerWaalsContact O-N 3.14Å; M230-Y232 PolarHBondContact O-N 3.14Å
233	K	94.6	Very high	96.4	Very high	142 Å²	142	76.3 Å²	76.3	62%	0.617	36%	0.364	S	S	*	.			trans	-64.3	144.6	178.2	-170	176.9	177.5	-176	0	111.1	K229	K229-K233 WeakPolarHBondContact O-CB 3.42Å; K229-K233 PolarHBondContact O-N 3.32Å
234	I	88.7	Confident	96.2	Very high	151 Å²	151	82.5 Å²	82.5	77%	0.774	39%	0.392	S	S	*	.			trans	-118.2	0	172.2	65	179	0	0	0	112.1	L122 N123 N212	L122-I234 HydrophobicContact CD1-CD1 3.67Å; L122-I234 HydrophobicContact CD1-CG1 4.06Å; N123-I234 PolarHBondContact ND2-O 3.2Å; N123-I234 PolarHBondContact OD1-N 3.1Å; N123-I234 PolarHBondContact OD1-O 3.39Å; N212-I234 HydrophobicContact CB-CD1 4.45Å; N212-I234 HydrophobicContact CB-CG2 4.23Å; N212-I234 PolarHBondContact ND2-N 2.82Å

Retrieved 234 of 234 residues in 336.2 ms (Link to these results)

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