A0A087YNU1_POEFO Loading...

ATP-dependent Clp protease proteolytic subunit

Protease component of the ClpXP complex that cleaves peptides and various proteins in an ATP-dependent process. Has low peptidase activity in the absence of CLPX. The ClpXP complex can degrade CSN1S1, CSN2 and CSN3, as well as synthetic peptides (in vitro) and may be responsible for a fairly general and central housekeeping function rather than for the degradation of specific substrates. Cleaves PINK1 in the mitochondrion.

AlphaFold DB , UniProt , Accession A0A087YNU1, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 269 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	38	Very low	37.7	Very low	229 Å²	229	151.1 Å²	151.1	100%	1.128	79%	0.792	S	S	*	*				0	131.3	0	-109.9	-179.9	174.2	0	0	108
2	L	35.1	Very low	37.8	Very low	152 Å²	152	151.3 Å²	151.3	80%	0.796	79%	0.793	S	S	*	*			trans	66.4	131.6	169.4	-74.9	86.2	0	0	0	117.3
3	L	32.6	Very low	37.9	Very low	140 Å²	140	149.5 Å²	149.5	73%	0.733	79%	0.793	S	S	*	*			cis	-166.3	114.4	-8.7	-159.5	78.5	0	0	0	104.8	R5	L3-R5 PolarHBondContact O-N 3.38Å; L3-R5 VanDerWaalsContact O-N 3.16Å
4	R	37.2	Very low	38	Very low	240 Å²	240	146.6 Å²	146.6	91%	0.906	78%	0.783	S	S	*	*			trans	-66.4	109.8	166.3	-87.8	-179.4	171.1	-169.4	-2.5	107	V6	R4-V6 PolarHBondContact O-N 3.38Å
5	R	38	Very low	38	Very low	228 Å²	228	149.7 Å²	149.7	86%	0.86	79%	0.787	S	S	*	*			trans	-70.3	99.4	165.7	-87.6	-174.2	174.3	-170.7	-1	108.1	L3 L7	L3-R5 PolarHBondContact O-N 3.38Å; L3-R5 VanDerWaalsContact O-N 3.16Å; R5-L7 PolarHBondContact O-N 3.39Å
6	V	40.8	Very low	38.1	Very low	120 Å²	120	147.8 Å²	147.8	73%	0.727	78%	0.782	S	S	*	*			trans	-68.7	103.8	163.3	178	0	0	0	0	106.7	R4 N8	R4-V6 PolarHBondContact O-N 3.38Å; V6-N8 HydrophobicContact CG1-CB 4.33Å; V6-N8 PolarHBondContact O-N 3.16Å
7	L	34.7	Very low	38.8	Very low	139 Å²	139	144.4 Å²	144.4	73%	0.728	77%	0.774	S	S	*	*			trans	-81.4	95.5	161.9	-125.6	89.9	0	0	0	106.6	R5 I9	R5-L7 PolarHBondContact O-N 3.39Å; L7-I9 VanDerWaalsContact C-N 3.27Å; L7-I9 HydrophobicContact CD2-CD1 4.08Å; L7-I9 HydrophobicContact CD2-CG1 4.03Å; L7-I9 PolarHBondContact O-N 3.23Å
8	N	35.9	Very low	39.5	Very low	147 Å²	147	145.2 Å²	145.2	79%	0.786	76%	0.764	S	S	*	*			trans	-77.7	84	171.5	-153.4	10	0	0	0	107.4	V6 G10	V6-N8 HydrophobicContact CG1-CB 4.33Å; V6-N8 PolarHBondContact O-N 3.16Å; N8-G10 PolarHBondContact O-N 2.87Å; N8-G10 VanDerWaalsContact O-N 3.16Å
9	I	42.9	Very low	40.3	Very low	136 Å²	136	141.2 Å²	141.2	70%	0.697	75%	0.75	S	S	*	*			trans	-76.6	101.2	168.7	-60.1	177.2	0	0	0	105.2	L7 G11	L7-I9 VanDerWaalsContact C-N 3.27Å; L7-I9 HydrophobicContact CD2-CD1 4.08Å; L7-I9 HydrophobicContact CD2-CG1 4.03Å; L7-I9 PolarHBondContact O-N 3.23Å; I9-G11 PolarHBondContact O-N 3.34Å
10	G	37.8	Very low	41.1	Very low	54 Å²	54	141.2 Å²	141.2	56%	0.557	74%	0.743	S	S	*	*			trans	-46.4	129.1	174.9	0	0	0	0	0	110	N8 L12	N8-G10 PolarHBondContact O-N 2.87Å; N8-G10 VanDerWaalsContact O-N 3.16Å; G10-L12 VanDerWaalsContact C-N 3.28Å; G10-L12 PolarHBondContact O-N 3.15Å
11	G	41.3	Very low	42.1	Very low	77 Å²	77	141.9 Å²	141.9	79%	0.794	74%	0.742	S	S	*	*			trans	-60.4	87.5	-178.9	0	0	0	0	0	111.5	I9 T13	I9-G11 PolarHBondContact O-N 3.34Å; G11-T13 VanDerWaalsContact C-N 3.27Å; G11-T13 PolarHBondContact O-N 3.04Å; G11-T13 VanDerWaalsContact O-N 3.13Å
12	L	39.1	Very low	43.1	Very low	154 Å²	154	136.1 Å²	136.1	81%	0.806	71%	0.712	S	S	*	*			trans	-75.7	93.1	155.5	-137.2	84.3	0	0	0	105.5	G10 V14	G10-L12 VanDerWaalsContact C-N 3.28Å; G10-L12 PolarHBondContact O-N 3.15Å; L12-V14 PolarHBondContact O-N 3.33Å
13	T	39.4	Very low	44.3	Very low	128 Å²	128	133.3 Å²	133.3	79%	0.785	71%	0.705	S	S	*	*			trans	-65.1	97.1	166.1	-38.2	0	0	0	0	105.5	G11 K15	G11-T13 VanDerWaalsContact C-N 3.27Å; G11-T13 PolarHBondContact O-N 3.04Å; G11-T13 VanDerWaalsContact O-N 3.13Å; T13-K15 PolarHBondContact O-N 2.77Å
14	V	38.5	Very low	45.6	Very low	109 Å²	109	131.2 Å²	131.2	66%	0.661	70%	0.7	S	S	*	*			trans	-65.1	94.6	170.5	177.7	0	0	0	0	105.7	L12 V16	L12-V14 PolarHBondContact O-N 3.33Å; V14-V16 VanDerWaalsContact C-N 3.29Å; V14-V16 HydrophobicContact CG1-CG2 4.34Å; V14-V16 PolarHBondContact O-N 2.9Å
15	K	39	Very low	46.7	Very low	193 Å²	193	125.4 Å²	125.4	84%	0.839	69%	0.691	S	S	*	*			trans	-62.1	102.2	160.4	-92.8	-174.1	174.5	-177.8	0	105.3	T13 S17	T13-K15 PolarHBondContact O-N 2.77Å; K15-S17 PolarHBondContact O-N 3.06Å
16	V	39.4	Very low	47.4	Very low	118 Å²	118	124 Å²	124	72%	0.715	69%	0.686	S	S	*	*			trans	-62.3	95.6	165.5	178.3	0	0	0	0	105.8	V14 R18	V14-V16 VanDerWaalsContact C-N 3.29Å; V14-V16 HydrophobicContact CG1-CG2 4.34Å; V14-V16 PolarHBondContact O-N 2.9Å; V16-R18 PolarHBondContact O-N 2.88Å
17	S	50.6	Low	47.9	Very low	91 Å²	91	129.8 Å²	129.8	64%	0.636	69%	0.694	S	S	*	*			trans	-64.9	114.6	168.3	-175.7	0	0	0	0	106.4	K15 S19	K15-S17 PolarHBondContact O-N 3.06Å; S17-S19 PolarHBondContact O-N 3.31Å; S17-S19 PolarHBondContact OG-OG 3.19Å
18	R	50.4	Low	49.3	Very low	158 Å²	158	128.5 Å²	128.5	60%	0.596	70%	0.697	S	S	*	*			trans	-75.7	43.1	176.7	-64.6	-174.3	179	-175.6	-1.1	111.6	V16 F20 D199	V16-R18 PolarHBondContact O-N 2.88Å; R18-F20 PolarHBondContact O-N 3.25Å; R18-D199 VanDerWaalsContact CD-OD2 3.26Å; R18-D199 WeakPolarHBondContact CD-OD2 3.21Å; R18-D199 IonicContact CZ-OD2 3.81Å; R18-D199 IonicContact NE-OD2 3.98Å; R18-D199 IonicContact NH1-OD2 2.82Å; R18-D199 PolarHBondContact NH1-OD2 2.86Å
19	S	55.8	Low	50.8	Low	70 Å²	70	123.9 Å²	123.9	49%	0.49	68%	0.675	S	S	.	*			trans	-95.5	84	176.7	-73.1	0	0	0	0	109.5	S17	S17-S19 PolarHBondContact O-N 3.31Å; S17-S19 PolarHBondContact OG-OG 3.19Å
20	F	56.2	Low	52.7	Low	141 Å²	141	125.5 Å²	125.5	62%	0.618	68%	0.684	S	S	*	*	S	Bend	trans	-76.6	128	165.2	-68.1	-78.3	0	0	0	109.4	R18 R146	R18-F20 PolarHBondContact O-N 3.25Å; F20-R146 PolarHBondContact O-NH2 2.95Å
21	H	60.6	Low	55.2	Low	155 Å²	155	127 Å²	127	72%	0.718	68%	0.679	S	S	*	*	S	Bend	trans	59	55.6	174.6	-50.5	-81.5	0	0	0	115	R146	H21-R146 PolarHBondContact CD2-NH1 3.25Å
22	H	59.2	Low	57.5	Low	109 Å²	109	127.6 Å²	127.6	51%	0.505	67%	0.668	S	S	.	*			trans	-109.6	126.4	163.6	123.3	76.9	0	0	0	108.6
23	S	59.9	Low	60.1	Low	92 Å²	92	125.4 Å²	125.4	64%	0.643	66%	0.656	S	S	*	*	P	Polyproline II helix	trans	-78.5	139.4	167	-168.6	0	0	0	0	108.4
24	P	60.9	Low	62.5	Low	96 Å²	96	121.8 Å²	121.8	62%	0.623	63%	0.634	S	S	*	*	P	Polyproline II helix	trans	-49.4	148.7	170	22.2	-33.5	0	0	0	110.3	W26	P24-W26 PolarHBondContact O-N 3.49Å
25	V	60.6	Low	65	Low	118 Å²	118	120.6 Å²	120.6	72%	0.715	63%	0.627	S	S	*	*	P	Polyproline II helix	trans	-46.5	117.3	178.2	178.9	0	0	0	0	108.5	R27	V25-R27 PolarHBondContact O-N 3.47Å
26	W	52.9	Low	67.2	Low	200 Å²	200	113.6 Å²	113.6	76%	0.758	60%	0.597	S	S	*	*			trans	-63.2	103.7	-177.2	-151.2	38.7	0	0	0	107.3	P24 S28 P29	P24-W26 PolarHBondContact O-N 3.49Å; W26-S28 VanDerWaalsContact C-N 3.25Å; W26-S28 PolarHBondContact O-N 2.84Å; W26-P29 HydrophobicContact CD2-CG 3.52Å; W26-P29 HydrophobicContact CE3-CG 3.36Å; W26-P29 HydrophobicContact CG-CG 4.45Å; W26-P29 HydrophobicContact CH2-CB 4.28Å; W26-P29 HydrophobicContact CH2-CG 3.29Å; W26-P29 HydrophobicContact CZ2-CB 4.27Å; W26-P29 HydrophobicContact CZ2-CG 3.45Å; W26-P29 VanDerWaalsContact CZ2-CG 3.45Å; W26-P29 HydrophobicContact CZ3-CG 3.23Å
27	R	50.9	Low	69.3	Low	241 Å²	241	115.6 Å²	115.6	91%	0.909	60%	0.598	S	S	*	*			trans	-74.3	87	178.5	-71.4	-169.4	-175.9	-155.2	1.6	108.3	V25	V25-R27 PolarHBondContact O-N 3.47Å
28	S	63.2	Low	70.7	Confident	111 Å²	111	113.3 Å²	113.3	78%	0.776	58%	0.58	S	S	*	*			trans	40	75.9	160.9	-160.2	0	0	0	0	116	W26	W26-S28 VanDerWaalsContact C-N 3.25Å; W26-S28 PolarHBondContact O-N 2.84Å
29	P	69	Low	72	Confident	50 Å²	50	110.3 Å²	110.3	33%	0.325	60%	0.599	S	S	.	*	P	Polyproline II helix	trans	-69.4	147.9	154.3	29.9	-26.2	0	0	0	109.1	W26 I31	W26-P29 HydrophobicContact CD2-CG 3.52Å; W26-P29 HydrophobicContact CE3-CG 3.36Å; W26-P29 HydrophobicContact CG-CG 4.45Å; W26-P29 HydrophobicContact CH2-CB 4.28Å; W26-P29 HydrophobicContact CH2-CG 3.29Å; W26-P29 HydrophobicContact CZ2-CB 4.27Å; W26-P29 HydrophobicContact CZ2-CG 3.45Å; W26-P29 VanDerWaalsContact CZ2-CG 3.45Å; W26-P29 HydrophobicContact CZ3-CG 3.23Å; P29-I31 PolarHBondContact O-N 3.03Å
30	L	82.6	Confident	73.1	Confident	170 Å²	170	118.5 Å²	118.5	89%	0.89	62%	0.619	S	S	*	*	P	Polyproline II helix	trans	-52.9	124.4	170.2	-66	165.6	0	0	0	108.9	P32	L30-P32 WeakPolarHBondContact O-CD 3.34Å
31	I	88.6	Confident	74.6	Confident	87 Å²	87	113.7 Å²	113.7	45%	0.446	61%	0.609	S	S	.	*	P	Polyproline II helix	trans	-73	124.1	174.7	-56.9	173.5	0	0	0	107.1	P29 D46 I47 Y48	P29-I31 PolarHBondContact O-N 3.03Å; I31-D46 HydrophobicContact CB-CB 4.49Å; I31-D46 HydrophobicContact CG2-CB 3.83Å; I31-I47 HydrophobicContact CG2-CG2 3.75Å; I31-Y48 HydrophobicContact CD1-CD2 4.16Å; I31-Y48 HydrophobicContact CD1-CE2 4.29Å; I31-Y48 HydrophobicContact CG2-CD2 4.02Å; I31-Y48 HydrophobicContact CG2-CE2 4.25Å
32	P	90.9	Very high	75.9	Confident	88 Å²	88	112.6 Å²	112.6	57%	0.571	61%	0.605	S	S	*	*	P	Polyproline II helix	trans	-58.9	143.1	178.8	-24.6	34.6	0	0	0	112.2	L30 D46 I47	L30-P32 WeakPolarHBondContact O-CD 3.34Å; P32-D46 WeakPolarHBondContact O-CA 3.45Å; P32-I47 PolarHBondContact O-N 2.94Å; P32-I47 VanDerWaalsContact O-N 3.1Å
33	I	93.1	Very high	77.3	Confident	108 Å²	108	113.7 Å²	113.7	55%	0.554	60%	0.604	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-100.2	135.6	175.4	-58.4	-57.7	0	0	0	109.3	A44 Y45 D46	I33-A44 HydrophobicContact CG2-CB 3.8Å; I33-Y45 CarbonylContact C-O 3.59Å; I33-Y45 WeakPolarHBondContact CA-O 3.17Å; I33-D46 HydrophobicContact CD1-CB 3.89Å
34	V	90.9	Very high	78.7	Confident	52 Å²	52	112.6 Å²	112.6	32%	0.315	60%	0.601	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-110.2	133.2	174.3	-176.6	0	0	0	0	108.6	A44 Y45 I47	V34-A44 WeakPolarHBondContact O-CA 3.37Å; V34-Y45 PolarHBondContact N-O 3.09Å; V34-Y45 PolarHBondContact O-N 2.58Å; V34-I47 HydrophobicContact CG2-CD1 3.78Å
35	V	89.8	Confident	80	Confident	85 Å²	85	110.4 Å²	110.4	52%	0.515	58%	0.581	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-103.6	120.8	175.8	-176.5	0	0	0	0	109	E42 R43	V35-E42 HydrophobicContact CG1-CB 4.07Å; V35-E42 HydrophobicContact CG1-CG 4.49Å; V35-R43 WeakPolarHBondContact CA-O 3.4Å
36	E	85.6	Confident	81.6	Confident	45 Å²	45	106.8 Å²	106.8	21%	0.21	56%	0.557	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-102.9	129	171.5	-75.8	-164.3	148.2	0	0	110.7	T38 E42 R43 R50 R53	E36-T38 PolarHBondContact O-N 2.8Å; E36-E42 WeakPolarHBondContact O-CA 3.3Å; E36-R43 PolarHBondContact N-O 2.79Å; E36-R43 PolarHBondContact O-N 3.31Å; E36-R50 VanDerWaalsContact CD-NE 3.3Å; E36-R50 IonicContact OE1-CZ 2.91Å; E36-R50 IonicContact OE1-NE 2.85Å; E36-R50 PolarHBondContact OE1-NE 3.09Å; E36-R50 IonicContact OE1-NH2 2.73Å; E36-R50 PolarHBondContact OE1-NH2 2.96Å; E36-R50 IonicContact OE2-NE 3.28Å; E36-R53 IonicContact OE2-CZ 3.91Å; E36-R53 IonicContact OE2-NH1 2.73Å; E36-R53 PolarHBondContact OE2-NH1 3.01Å
37	Q	83	Confident	83.5	Confident	160 Å²	160	100.4 Å²	100.4	75%	0.748	54%	0.538	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-81.4	111.3	165.6	-68.3	-166.5	-15.4	0	0	109.1	E42	Q37-E42 HydrophobicContact CG-CG 4.16Å; Q37-E42 PolarHBondContact NE2-OE1 3.06Å
38	T	79.6	Confident	85.6	Confident	43 Å²	43	94.2 Å²	94.2	26%	0.264	52%	0.515	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	160.5	170.2	71.6	0	0	0	0	109.4	E36 R40 G41	E36-T38 PolarHBondContact O-N 2.8Å; T38-R40 PolarHBondContact O-N 3.13Å; T38-R40 PolarHBondContact OG1-N 2.98Å; T38-G41 WeakPolarHBondContact CA-O 3.35Å; T38-G41 PolarHBondContact N-O 2.88Å; T38-G41 PolarHBondContact O-N 3.4Å; T38-G41 PolarHBondContact OG1-O 3.46Å
39	G	78.1	Confident	87.1	Confident	96 Å²	96	91.4 Å²	91.4	99%	0.99	50%	0.495	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.7	-6.3	174.4	0	0	0	0	0	115.1
40	R	79.9	Confident	88.3	Confident	241 Å²	241	91.3 Å²	91.3	91%	0.909	49%	0.488	S	S	*	.	T	Hydrogen-bonded Turn	trans	-113.4	11.4	176.3	-65.1	-176.3	-179.8	175	0.5	113.4	T38	T38-R40 PolarHBondContact O-N 3.13Å; T38-R40 PolarHBondContact OG1-N 2.98Å
41	G	87.6	Confident	89	Confident	40 Å²	40	85.9 Å²	85.9	41%	0.412	46%	0.46	S	S	.	.	E	Extended strand (participates in β ladder)	trans	119.5	-171.1	-179.9	0	0	0	0	0	113.8	T38	T38-G41 WeakPolarHBondContact CA-O 3.35Å; T38-G41 PolarHBondContact N-O 2.88Å; T38-G41 PolarHBondContact O-N 3.4Å; T38-G41 PolarHBondContact OG1-O 3.46Å
42	E	87.9	Confident	89.4	Confident	132 Å²	132	83.2 Å²	83.2	62%	0.617	45%	0.447	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-88.2	137.7	-177.4	-58.2	-166.6	153.3	0	0	111.7	V35 E36 Q37	V35-E42 HydrophobicContact CG1-CB 4.07Å; V35-E42 HydrophobicContact CG1-CG 4.49Å; E36-E42 WeakPolarHBondContact O-CA 3.3Å; Q37-E42 HydrophobicContact CG-CG 4.16Å; Q37-E42 PolarHBondContact NE2-OE1 3.06Å
43	R	87.7	Confident	89.5	Confident	132 Å²	132	85.1 Å²	85.1	50%	0.498	44%	0.442	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	133.4	171.3	-67.8	-172.9	175.7	-176.3	-6.2	109.9	V35 E36 Y45	V35-R43 WeakPolarHBondContact CA-O 3.4Å; E36-R43 PolarHBondContact N-O 2.79Å; E36-R43 PolarHBondContact O-N 3.31Å; R43-Y45 HydrophobicContact CB-CD2 4.41Å; R43-Y45 HydrophobicContact CB-CE2 3.6Å; R43-Y45 VanDerWaalsContact CD-OH 3.23Å; R43-Y45 WeakPolarHBondContact CD-OH 3.21Å
44	A	89.1	Confident	89.7	Confident	70 Å²	70	84.9 Å²	84.9	58%	0.579	44%	0.439	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-102.8	132.2	177.3	0	0	0	0	0	110.2	I33 V34	I33-A44 HydrophobicContact CG2-CB 3.8Å; V34-A44 WeakPolarHBondContact O-CA 3.37Å
45	Y	89.1	Confident	90	Very high	50 Å²	50	83.8 Å²	83.8	20%	0.196	43%	0.429	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	145.4	177.4	-61.3	-80.6	0	0	0	109.2	I33 V34 R43	I33-Y45 CarbonylContact C-O 3.59Å; I33-Y45 WeakPolarHBondContact CA-O 3.17Å; V34-Y45 PolarHBondContact N-O 3.09Å; V34-Y45 PolarHBondContact O-N 2.58Å; R43-Y45 HydrophobicContact CB-CD2 4.41Å; R43-Y45 HydrophobicContact CB-CE2 3.6Å; R43-Y45 VanDerWaalsContact CD-OH 3.23Å; R43-Y45 WeakPolarHBondContact CD-OH 3.21Å
46	D	93.9	Very high	90.4	Very high	42 Å²	42	81.4 Å²	81.4	23%	0.225	41%	0.413	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.1	158.4	160	74	86.2	0	0	0	110.2	I31 P32 I33 Y48 S49 R50	I31-D46 HydrophobicContact CB-CB 4.49Å; I31-D46 HydrophobicContact CG2-CB 3.83Å; P32-D46 WeakPolarHBondContact O-CA 3.45Å; I33-D46 HydrophobicContact CD1-CB 3.89Å; D46-Y48 VanDerWaalsContact C-N 3.25Å; D46-Y48 PolarHBondContact O-N 2.88Å; D46-Y48 WeakPolarHBondContact OD1-CA 3.18Å; D46-Y48 WeakPolarHBondContact OD1-CB 3.31Å; D46-Y48 PolarHBondContact OD1-N 3.4Å; D46-S49 PolarHBondContact O-N 3.3Å; D46-S49 PolarHBondContact OD1-N 3.24Å; D46-S49 WeakPolarHBondContact OD2-CB 3.38Å; D46-S49 PolarHBondContact OD2-OG 2.81Å; D46-R50 PolarHBondContact O-N 3.38Å
47	I	93.8	Very high	91.1	Very high	66 Å²	66	79.3 Å²	79.3	34%	0.338	40%	0.403	S	S	.	.	H	α-helix	trans	-59	-34.2	-174.8	-166	62.9	0	0	0	113.2	I31 P32 V34 R50 L51	I31-I47 HydrophobicContact CG2-CG2 3.75Å; P32-I47 PolarHBondContact O-N 2.94Å; P32-I47 VanDerWaalsContact O-N 3.1Å; V34-I47 HydrophobicContact CG2-CD1 3.78Å; I47-R50 PolarHBondContact O-N 3.05Å; I47-L51 WeakPolarHBondContact O-CG 3.22Å; I47-L51 PolarHBondContact O-N 3.19Å
48	Y	94.6	Very high	91.8	Very high	110 Å²	110	73.4 Å²	73.4	43%	0.431	38%	0.379	S	S	.	.	H	α-helix	trans	-75.4	-40.6	179.1	-64.2	-68	0	0	0	111.5	I31 D46 R50 L51 L52 C58	I31-Y48 HydrophobicContact CD1-CD2 4.16Å; I31-Y48 HydrophobicContact CD1-CE2 4.29Å; I31-Y48 HydrophobicContact CG2-CD2 4.02Å; I31-Y48 HydrophobicContact CG2-CE2 4.25Å; D46-Y48 VanDerWaalsContact C-N 3.25Å; D46-Y48 PolarHBondContact O-N 2.88Å; D46-Y48 WeakPolarHBondContact OD1-CA 3.18Å; D46-Y48 WeakPolarHBondContact OD1-CB 3.31Å; D46-Y48 PolarHBondContact OD1-N 3.4Å; Y48-R50 PolarHBondContact O-N 3.4Å; Y48-L51 HydrophobicContact CD1-CD1 4.5Å; Y48-L51 PolarHBondContact O-N 2.9Å; Y48-L51 VanDerWaalsContact O-N 3.15Å; Y48-L52 WeakPolarHBondContact O-CB 3.27Å; Y48-L52 PolarHBondContact O-N 2.8Å; Y48-C58 HydrophobicContact CD1-CB 4.29Å; Y48-C58 HydrophobicContact CE1-CB 4.18Å
49	S	94.4	Very high	92.7	Very high	52 Å²	52	71.4 Å²	71.4	36%	0.364	37%	0.367	S	S	.	.	H	α-helix	trans	-59.5	-37.1	171.3	-69.8	0	0	0	0	111.8	D46 L52 R53	D46-S49 PolarHBondContact O-N 3.3Å; D46-S49 PolarHBondContact OD1-N 3.24Å; D46-S49 WeakPolarHBondContact OD2-CB 3.38Å; D46-S49 PolarHBondContact OD2-OG 2.81Å; S49-L52 PolarHBondContact O-N 3.04Å; S49-R53 PolarHBondContact O-N 3.22Å
50	R	94.4	Very high	93.5	Very high	48 Å²	48	69.8 Å²	69.8	18%	0.181	33%	0.334	C	S	.	.	H	α-helix	trans	-65.1	-40.9	175.1	-178.4	61.3	-167.8	90.1	-9.3	112.1	E36 D46 I47 Y48 R53 E54	E36-R50 VanDerWaalsContact CD-NE 3.3Å; E36-R50 IonicContact OE1-CZ 2.91Å; E36-R50 IonicContact OE1-NE 2.85Å; E36-R50 PolarHBondContact OE1-NE 3.09Å; E36-R50 IonicContact OE1-NH2 2.73Å; E36-R50 PolarHBondContact OE1-NH2 2.96Å; E36-R50 IonicContact OE2-NE 3.28Å; D46-R50 PolarHBondContact O-N 3.38Å; I47-R50 PolarHBondContact O-N 3.05Å; Y48-R50 PolarHBondContact O-N 3.4Å; R50-R53 PolarHBondContact O-N 3.19Å; R50-E54 IonicContact CZ-OE1 3.4Å; R50-E54 VanDerWaalsContact CZ-OE1 3.28Å; R50-E54 VanDerWaalsContact NH1-CG 3.28Å; R50-E54 IonicContact NH1-OE1 2.58Å; R50-E54 PolarHBondContact NH1-OE1 2.75Å; R50-E54 IonicContact NH2-OE1 3.84Å; R50-E54 PolarHBondContact NH2-OE1 2.97Å
51	L	96.7	Very high	94.2	Very high	56 Å²	56	59.5 Å²	59.5	29%	0.293	30%	0.303	S	S	.	.	H	α-helix	trans	-68	-39.3	175.5	-72.4	174.3	0	0	0	112.4	I47 Y48 R53 E54 R55 I56	I47-L51 WeakPolarHBondContact O-CG 3.22Å; I47-L51 PolarHBondContact O-N 3.19Å; Y48-L51 HydrophobicContact CD1-CD1 4.5Å; Y48-L51 PolarHBondContact O-N 2.9Å; Y48-L51 VanDerWaalsContact O-N 3.15Å; L51-R53 PolarHBondContact O-N 2.76Å; L51-E54 CarbonylContact O-C 3.39Å; L51-E54 WeakPolarHBondContact O-CA 3.48Å; L51-E54 WeakPolarHBondContact O-CB 3.49Å; L51-E54 PolarHBondContact O-N 3.28Å; L51-R55 PolarHBondContact O-N 3.08Å; L51-I56 HydrophobicContact CB-CB 4.12Å; L51-I56 HydrophobicContact CB-CG2 4.32Å; L51-I56 HydrophobicContact CD2-CD1 3.95Å; L51-I56 PolarHBondContact O-N 3.35Å; L51-I56 VanDerWaalsContact O-N 3.07Å
52	L	97.3	Very high	94.6	Very high	32 Å²	32	60.9 Å²	60.9	17%	0.168	31%	0.305	C	S	.	.	H	α-helix	trans	-60.3	-33.8	177.4	-176.5	64.3	0	0	0	111.6	Y48 S49 E54 R55 I56 I57 Q74 F77 L78	Y48-L52 WeakPolarHBondContact O-CB 3.27Å; Y48-L52 PolarHBondContact O-N 2.8Å; S49-L52 PolarHBondContact O-N 3.04Å; L52-E54 VanDerWaalsContact C-N 3.26Å; L52-E54 PolarHBondContact O-N 3.24Å; L52-R55 VanDerWaalsContact O-CA 3.31Å; L52-R55 WeakPolarHBondContact O-CA 3.31Å; L52-R55 PolarHBondContact O-N 2.84Å; L52-I56 WeakPolarHBondContact CA-O 3.43Å; L52-I57 HydrophobicContact CD1-CG1 4.08Å; L52-Q74 HydrophobicContact CD1-CB 3.97Å; L52-Q74 HydrophobicContact CD1-CG 3.94Å; L52-Q74 HydrophobicContact CD2-CG 4.05Å; L52-F77 HydrophobicContact CD2-CD1 4.29Å; L52-F77 HydrophobicContact CD2-CE1 4.4Å; L52-L78 HydrophobicContact CD1-CD1 3.93Å; L52-L78 HydrophobicContact CD1-CD2 4.04Å; L52-L78 HydrophobicContact CD1-CG 3.99Å; L52-L78 HydrophobicContact CG-CD2 4.48Å; L52-L78 WeakPolarHBondContact O-CD2 3.43Å
53	R	94	Very high	95.1	Very high	127 Å²	127	54.7 Å²	54.7	48%	0.479	28%	0.276	S	S	.	.	H	α-helix	trans	-64.3	-29.4	173.6	-167.7	174.6	171.5	-159.5	-11.4	113.1	E36 S49 R50 L51 R55	E36-R53 IonicContact OE2-CZ 3.91Å; E36-R53 IonicContact OE2-NH1 2.73Å; E36-R53 PolarHBondContact OE2-NH1 3.01Å; S49-R53 PolarHBondContact O-N 3.22Å; R50-R53 PolarHBondContact O-N 3.19Å; L51-R53 PolarHBondContact O-N 2.76Å; R53-R55 PolarHBondContact O-N 2.84Å
54	E	95.9	Very high	95.6	Very high	103 Å²	103	51.3 Å²	51.3	48%	0.481	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.9	13.3	168.4	-56.8	-56.8	152.3	0	0	112.7	R50 L51 L52 I56	R50-E54 IonicContact CZ-OE1 3.4Å; R50-E54 VanDerWaalsContact CZ-OE1 3.28Å; R50-E54 VanDerWaalsContact NH1-CG 3.28Å; R50-E54 IonicContact NH1-OE1 2.58Å; R50-E54 PolarHBondContact NH1-OE1 2.75Å; R50-E54 IonicContact NH2-OE1 3.84Å; R50-E54 PolarHBondContact NH2-OE1 2.97Å; L51-E54 CarbonylContact O-C 3.39Å; L51-E54 WeakPolarHBondContact O-CA 3.48Å; L51-E54 WeakPolarHBondContact O-CB 3.49Å; L51-E54 PolarHBondContact O-N 3.28Å; L52-E54 VanDerWaalsContact C-N 3.26Å; L52-E54 PolarHBondContact O-N 3.24Å; E54-I56 VanDerWaalsContact C-N 3.29Å; E54-I56 HydrophobicContact CB-CD1 4.22Å; E54-I56 HydrophobicContact CB-CG1 4.5Å; E54-I56 PolarHBondContact O-N 3.37Å
55	R	98.3	Very high	96	Very high	30 Å²	30	52.9 Å²	52.9	11%	0.113	27%	0.267	C	S	.	.	T	Hydrogen-bonded Turn	trans	64.4	30.1	178.6	-45.1	-179.5	61.1	79.7	-6.9	113.7	L51 L52 R53 L78 S82 K85 P86 H88 N113	L51-R55 PolarHBondContact O-N 3.08Å; L52-R55 VanDerWaalsContact O-CA 3.31Å; L52-R55 WeakPolarHBondContact O-CA 3.31Å; L52-R55 PolarHBondContact O-N 2.84Å; R53-R55 PolarHBondContact O-N 2.84Å; R55-L78 HydrophobicContact CB-CD1 4.12Å; R55-L78 HydrophobicContact CB-CD2 4.24Å; R55-L78 HydrophobicContact CG-CD2 4.11Å; R55-L78 PolarHBondContact NH1-O 3.32Å; R55-L78 PolarHBondContact NH2-O 3.47Å; R55-S82 PolarHBondContact NH2-O 3.01Å; R55-K85 PolarHBondContact NE-O 2.88Å; R55-K85 PolarHBondContact NH2-O 2.98Å; R55-P86 WeakPolarHBondContact CD-O 3.16Å; R55-P86 PolarHBondContact NE-O 2.78Å; R55-H88 PolarHBondContact O-N 2.88Å; R55-N113 PolarHBondContact NH2-ND2 3.26Å
56	I	98.6	Very high	96.4	Very high	35 Å²	35	56.2 Å²	56.2	18%	0.179	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	125	175.8	-63.4	165.4	0	0	0	109.7	L51 L52 E54 H88 Y90	L51-I56 HydrophobicContact CB-CB 4.12Å; L51-I56 HydrophobicContact CB-CG2 4.32Å; L51-I56 HydrophobicContact CD2-CD1 3.95Å; L51-I56 PolarHBondContact O-N 3.35Å; L51-I56 VanDerWaalsContact O-N 3.07Å; L52-I56 WeakPolarHBondContact CA-O 3.43Å; E54-I56 VanDerWaalsContact C-N 3.29Å; E54-I56 HydrophobicContact CB-CD1 4.22Å; E54-I56 HydrophobicContact CB-CG1 4.5Å; E54-I56 PolarHBondContact O-N 3.37Å; I56-H88 CarbonylContact C-O 3.58Å; I56-H88 WeakPolarHBondContact CA-O 3.37Å; I56-H88 HydrophobicContact CG1-CB 4.01Å; I56-Y90 HydrophobicContact CG2-CD2 3.8Å; I56-Y90 HydrophobicContact CG2-CE2 4.13Å
57	I	98.6	Very high	96.5	Very high	0 Å²	0	56.2 Å²	56.2	0%	0	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	132.9	173.5	-61.8	174.9	0	0	0	108.7	L52 V71 Q74 L75 L78 I87 H88 M89 Y90	L52-I57 HydrophobicContact CD1-CG1 4.08Å; I57-V71 HydrophobicContact CG2-CG1 4.26Å; I57-V71 HydrophobicContact CG2-CG2 4.2Å; I57-Q74 HydrophobicContact CD1-CB 3.64Å; I57-Q74 HydrophobicContact CG1-CB 3.96Å; I57-L75 HydrophobicContact CD1-CD2 3.6Å; I57-L75 HydrophobicContact CD1-CG 3.82Å; I57-L78 HydrophobicContact CD1-CD1 3.87Å; I57-L78 HydrophobicContact CG1-CD1 4Å; I57-I87 HydrophobicContact CD1-CG2 4Å; I57-I87 HydrophobicContact CG1-CG2 4.43Å; I57-H88 PolarHBondContact N-O 2.81Å; I57-M89 HydrophobicContact CB-CG 4.39Å; I57-M89 WeakPolarHBondContact O-CA 3.43Å; I57-Y90 PolarHBondContact O-N 3.07Å
58	C	98.2	Very high	96.7	Very high	36 Å²	36	53.2 Å²	53.2	24%	0.243	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	110.9	179.9	-60.4	0	0	0	0	111.2	Y48 M60	Y48-C58 HydrophobicContact CD1-CB 4.29Å; Y48-C58 HydrophobicContact CE1-CB 4.18Å; C58-M60 HydrophobicContact CB-CE 3.9Å; C58-M60 HydrophobicContact CB-CG 3.83Å; C58-M60 PolarHBondContact O-N 2.99Å
59	V	98.1	Very high	96.9	Very high	1 Å²	1	51.8 Å²	51.8	1%	0.006	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96	85.8	172.4	-170.8	0	0	0	0	109.1	I63 V71 M89 Y90 I91 N92	V59-I63 HydrophobicContact CG1-CG1 4.32Å; V59-V71 HydrophobicContact CG2-CG1 4.47Å; V59-V71 HydrophobicContact CG2-CG2 4.02Å; V59-M89 HydrophobicContact CG2-CE 3.78Å; V59-Y90 PolarHBondContact N-O 3.4Å; V59-I91 HydrophobicContact CB-CG1 4.36Å; V59-N92 PolarHBondContact O-N 2.85Å
60	M	95.5	Very high	97.1	Very high	63 Å²	63	54.5 Å²	54.5	31%	0.31	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	128.3	-170.7	-54.1	-66.2	126.3	0	0	110.7	C58 Y90 N92	C58-M60 HydrophobicContact CB-CE 3.9Å; C58-M60 HydrophobicContact CB-CG 3.83Å; C58-M60 PolarHBondContact O-N 2.99Å; M60-Y90 WeakPolarHBondContact CE-O 3.41Å; M60-N92 HydrophobicContact CE-CB 4.27Å; M60-N92 HydrophobicContact SD-CB 3.54Å; M60-N92 VanDerWaalsContact SD-CB 3.54Å
61	G	94.7	Very high	97.3	Very high	25 Å²	25	52.4 Å²	52.4	26%	0.258	28%	0.281	S	S	.	.	S	Bend	trans	85.3	-168.8	179.1	0	0	0	0	0	114.4	N92 S93 P94	G61-N92 PolarHBondContact N-O 3.29Å; G61-S93 VanDerWaalsContact O-CB 3.3Å; G61-S93 WeakPolarHBondContact O-CB 3.27Å; G61-S93 PolarHBondContact O-OG 3.48Å; G61-P94 WeakPolarHBondContact O-CD 3.35Å
62	P	96.6	Very high	97.4	Very high	69 Å²	69	51.5 Å²	51.5	45%	0.448	28%	0.276	S	S	.	.	S	Bend	trans	-64.4	132.6	-176.1	-20.4	32.9	0	0	0	112.2	D64 I67 P94 G95	P62-D64 PolarHBondContact O-N 2.73Å; P62-I67 WeakPolarHBondContact O-CD1 3.42Å; P62-P94 HydrophobicContact CB-CG 4.5Å; P62-P94 HydrophobicContact CG-CG 4.22Å; P62-G95 CarbonylContact C-O 3.39Å; P62-G95 VanDerWaalsContact CA-O 3.3Å; P62-G95 WeakPolarHBondContact CA-O 3.46Å
63	I	97.8	Very high	97.5	Very high	2 Å²	2	52.7 Å²	52.7	1%	0.01	29%	0.29	C	S	.	.	B	Isolated β-bridge	trans	-77.8	119.1	177.9	-64.3	163.4	0	0	0	109.4	V59 G95 G96 V97 A100 I104 M126 L130	V59-I63 HydrophobicContact CG1-CG1 4.32Å; I63-G95 PolarHBondContact N-O 3.38Å; I63-G96 CarbonylContact O-C 3.55Å; I63-G96 VanDerWaalsContact O-CA 3.27Å; I63-G96 WeakPolarHBondContact O-CA 3.23Å; I63-V97 PolarHBondContact O-N 3.48Å; I63-A100 HydrophobicContact CG2-CB 3.99Å; I63-I104 HydrophobicContact CG2-CD1 4.28Å; I63-M126 HydrophobicContact CD1-CB 3.87Å; I63-L130 HydrophobicContact CD1-CD1 3.75Å
64	D	97.6	Very high	97.7	Very high	60 Å²	60	49 Å²	49	32%	0.321	28%	0.278	S	S	.	.			trans	-131.9	179.2	171.8	68.2	14.9	0	0	0	110.4	P62 N66 I67 A68	P62-D64 PolarHBondContact O-N 2.73Å; D64-N66 PolarHBondContact O-N 2.85Å; D64-N66 WeakPolarHBondContact OD1-CB 3.36Å; D64-N66 PolarHBondContact OD1-N 2.66Å; D64-I67 PolarHBondContact O-N 2.77Å; D64-I67 PolarHBondContact OD1-N 2.95Å; D64-A68 WeakPolarHBondContact O-CB 3.33Å; D64-A68 PolarHBondContact O-N 2.86Å
65	D	98.1	Very high	97.9	Very high	103 Å²	103	44 Å²	44	55%	0.551	26%	0.256	S	S	*	.	H	α-helix	trans	-62.4	-29.3	-177.6	-63.9	-23	0	0	0	112.6	S69 A100	D65-S69 WeakPolarHBondContact O-CB 3.37Å; D65-S69 PolarHBondContact O-N 2.91Å; D65-A100 WeakPolarHBondContact OD1-CB 3.24Å
66	N	97.4	Very high	97.9	Very high	120 Å²	120	46.3 Å²	46.3	64%	0.642	27%	0.269	S	S	*	.	H	α-helix	trans	-71.2	-49	178.5	-62.2	-51.6	0	0	0	110.8	D64 A68 S69 L70	D64-N66 PolarHBondContact O-N 2.85Å; D64-N66 WeakPolarHBondContact OD1-CB 3.36Å; D64-N66 PolarHBondContact OD1-N 2.66Å; N66-A68 VanDerWaalsContact C-N 3.33Å; N66-A68 PolarHBondContact O-N 2.74Å; N66-S69 PolarHBondContact O-N 2.84Å; N66-L70 WeakPolarHBondContact O-CG 3.34Å; N66-L70 PolarHBondContact O-N 2.92Å
67	I	96.3	Very high	97.9	Very high	42 Å²	42	49.1 Å²	49.1	22%	0.215	28%	0.28	C	S	.	.	H	α-helix	trans	-63	-43.3	176.7	-64.2	-169.2	0	0	0	110	P62 D64 S69 L70 V71	P62-I67 WeakPolarHBondContact O-CD1 3.42Å; D64-I67 PolarHBondContact O-N 2.77Å; D64-I67 PolarHBondContact OD1-N 2.95Å; I67-S69 PolarHBondContact O-N 3.43Å; I67-L70 PolarHBondContact O-N 2.87Å; I67-V71 HydrophobicContact CG2-CG2 4.12Å; I67-V71 VanDerWaalsContact O-CG2 3.32Å; I67-V71 WeakPolarHBondContact O-CG2 3.42Å; I67-V71 PolarHBondContact O-N 2.86Å
68	A	98.5	Very high	97.9	Very high	4 Å²	4	49.3 Å²	49.3	3%	0.033	28%	0.281	C	S	.	.	H	α-helix	trans	-59.7	-46.2	177.1	0	0	0	0	0	111.9	D64 N66 L70 V71 I72 A100 I104	D64-A68 WeakPolarHBondContact O-CB 3.33Å; D64-A68 PolarHBondContact O-N 2.86Å; N66-A68 VanDerWaalsContact C-N 3.33Å; N66-A68 PolarHBondContact O-N 2.74Å; A68-L70 VanDerWaalsContact C-N 3.3Å; A68-L70 PolarHBondContact O-N 2.96Å; A68-V71 PolarHBondContact O-N 2.88Å; A68-I72 WeakPolarHBondContact O-CB 3.46Å; A68-I72 WeakPolarHBondContact O-CD1 3.43Å; A68-I72 WeakPolarHBondContact O-CG1 3.25Å; A68-I72 PolarHBondContact O-N 2.94Å; A68-A100 HydrophobicContact CB-CB 3.82Å; A68-A100 WeakPolarHBondContact CB-O 3.44Å; A68-I104 HydrophobicContact CB-CD1 3.95Å; A68-I104 HydrophobicContact CB-CG1 3.83Å
69	S	98.6	Very high	97.9	Very high	79 Å²	79	49.4 Å²	49.4	55%	0.552	28%	0.278	S	S	*	.	H	α-helix	trans	-58.3	-41.9	176.3	-173	0	0	0	0	112.3	D65 N66 I67 A73	D65-S69 WeakPolarHBondContact O-CB 3.37Å; D65-S69 PolarHBondContact O-N 2.91Å; N66-S69 PolarHBondContact O-N 2.84Å; I67-S69 PolarHBondContact O-N 3.43Å; S69-A73 WeakPolarHBondContact O-CB 3.27Å; S69-A73 PolarHBondContact O-N 3.44Å
70	L	98.3	Very high	97.9	Very high	110 Å²	110	53.7 Å²	53.7	58%	0.576	31%	0.309	S	S	*	.	H	α-helix	trans	-67.2	-43.4	178.1	-72.1	172.6	0	0	0	112.2	N66 I67 A68 A73 Q74	N66-L70 WeakPolarHBondContact O-CG 3.34Å; N66-L70 PolarHBondContact O-N 2.92Å; I67-L70 PolarHBondContact O-N 2.87Å; A68-L70 VanDerWaalsContact C-N 3.3Å; A68-L70 PolarHBondContact O-N 2.96Å; L70-A73 PolarHBondContact O-N 3.01Å; L70-Q74 VanDerWaalsContact O-CG 3.28Å; L70-Q74 WeakPolarHBondContact O-CG 3.09Å; L70-Q74 PolarHBondContact O-N 2.91Å; L70-Q74 PolarHBondContact O-NE2 2.8Å
71	V	98.8	Very high	98	Very high	3 Å²	3	57 Å²	57	2%	0.018	32%	0.323	C	S	.	.	H	α-helix	trans	-65.9	-44.5	179.4	170.4	0	0	0	0	110.6	I57 V59 I67 A68 A73 Q74 L75 M89 I104	I57-V71 HydrophobicContact CG2-CG1 4.26Å; I57-V71 HydrophobicContact CG2-CG2 4.2Å; V59-V71 HydrophobicContact CG2-CG1 4.47Å; V59-V71 HydrophobicContact CG2-CG2 4.02Å; I67-V71 HydrophobicContact CG2-CG2 4.12Å; I67-V71 VanDerWaalsContact O-CG2 3.32Å; I67-V71 WeakPolarHBondContact O-CG2 3.42Å; I67-V71 PolarHBondContact O-N 2.86Å; A68-V71 PolarHBondContact O-N 2.88Å; V71-A73 PolarHBondContact O-N 3.13Å; V71-Q74 PolarHBondContact O-N 3.08Å; V71-L75 HydrophobicContact CG1-CD1 4.03Å; V71-L75 HydrophobicContact CG1-CG 4.39Å; V71-L75 WeakPolarHBondContact O-CG 3.43Å; V71-L75 PolarHBondContact O-N 2.96Å; V71-M89 HydrophobicContact CG1-CE 4.02Å; V71-I104 HydrophobicContact CB-CD1 4.27Å; V71-I104 HydrophobicContact CB-CG1 4.31Å; V71-I104 HydrophobicContact CG1-CD1 4.28Å; V71-I104 HydrophobicContact CG1-CG1 4.16Å; V71-I104 HydrophobicContact CG1-CG2 3.72Å
72	I	98.9	Very high	98.1	Very high	37 Å²	37	56.7 Å²	56.7	19%	0.19	32%	0.317	C	S	.	.	H	α-helix	trans	-60.8	-46.4	177.1	-68.3	166.1	0	0	0	110.5	A68 Q74 L75 L76 A103 I104 T107	A68-I72 WeakPolarHBondContact O-CB 3.46Å; A68-I72 WeakPolarHBondContact O-CD1 3.43Å; A68-I72 WeakPolarHBondContact O-CG1 3.25Å; A68-I72 PolarHBondContact O-N 2.94Å; I72-Q74 VanDerWaalsContact C-N 3.31Å; I72-Q74 PolarHBondContact O-N 2.73Å; I72-L75 PolarHBondContact O-N 3.19Å; I72-L76 HydrophobicContact CG2-CD1 3.93Å; I72-L76 HydrophobicContact CG2-CG 4.42Å; I72-L76 WeakPolarHBondContact O-CG 3.43Å; I72-L76 PolarHBondContact O-N 3.24Å; I72-A103 HydrophobicContact CD1-CB 3.73Å; I72-I104 HydrophobicContact CG1-CG1 4.4Å; I72-T107 HydrophobicContact CG1-CG2 4.47Å; I72-T107 HydrophobicContact CG2-CG2 4.18Å
73	A	98.8	Very high	98	Very high	57 Å²	57	57.6 Å²	57.6	47%	0.471	32%	0.318	S	S	.	.	H	α-helix	trans	-59	-42.6	176.8	0	0	0	0	0	111.9	S69 L70 V71 F77	S69-A73 WeakPolarHBondContact O-CB 3.27Å; S69-A73 PolarHBondContact O-N 3.44Å; L70-A73 PolarHBondContact O-N 3.01Å; V71-A73 PolarHBondContact O-N 3.13Å; A73-F77 VanDerWaalsContact O-CB 3.22Å; A73-F77 WeakPolarHBondContact O-CB 3.45Å; A73-F77 PolarHBondContact O-N 3.34Å
74	Q	98.8	Very high	97.8	Very high	49 Å²	49	63 Å²	63	23%	0.229	35%	0.347	C	S	.	.	H	α-helix	trans	-65.6	-42.1	176.7	-73.3	167.1	73.3	0	0	112.5	L52 I57 L70 V71 I72 F77 L78	L52-Q74 HydrophobicContact CD1-CB 3.97Å; L52-Q74 HydrophobicContact CD1-CG 3.94Å; L52-Q74 HydrophobicContact CD2-CG 4.05Å; I57-Q74 HydrophobicContact CD1-CB 3.64Å; I57-Q74 HydrophobicContact CG1-CB 3.96Å; L70-Q74 VanDerWaalsContact O-CG 3.28Å; L70-Q74 WeakPolarHBondContact O-CG 3.09Å; L70-Q74 PolarHBondContact O-N 2.91Å; L70-Q74 PolarHBondContact O-NE2 2.8Å; V71-Q74 PolarHBondContact O-N 3.08Å; I72-Q74 VanDerWaalsContact C-N 3.31Å; I72-Q74 PolarHBondContact O-N 2.73Å; Q74-F77 PolarHBondContact O-N 2.9Å; Q74-L78 WeakPolarHBondContact O-CB 3.48Å; Q74-L78 VanDerWaalsContact O-CG 3.28Å; Q74-L78 WeakPolarHBondContact O-CG 3.48Å; Q74-L78 PolarHBondContact O-N 3Å
75	L	98.8	Very high	97.8	Very high	0 Å²	0	65.8 Å²	65.8	0%	0	36%	0.356	C	S	.	.	H	α-helix	trans	-61.3	-47.7	176.7	-73.1	171	0	0	0	111.6	I57 V71 I72 L78 Q79 I87 M89 T107 M108 I111 I115	I57-L75 HydrophobicContact CD1-CD2 3.6Å; I57-L75 HydrophobicContact CD1-CG 3.82Å; V71-L75 HydrophobicContact CG1-CD1 4.03Å; V71-L75 HydrophobicContact CG1-CG 4.39Å; V71-L75 WeakPolarHBondContact O-CG 3.43Å; V71-L75 PolarHBondContact O-N 2.96Å; I72-L75 PolarHBondContact O-N 3.19Å; L75-L78 PolarHBondContact O-N 3.19Å; L75-Q79 WeakPolarHBondContact O-CB 3.49Å; L75-Q79 PolarHBondContact O-N 2.77Å; L75-I87 HydrophobicContact CD2-CD1 4.27Å; L75-I87 HydrophobicContact CD2-CG2 4.07Å; L75-M89 HydrophobicContact CD2-SD 4.15Å; L75-T107 HydrophobicContact CB-CG2 3.99Å; L75-T107 HydrophobicContact CD1-CG2 3.83Å; L75-M108 HydrophobicContact CD1-CG 4.12Å; L75-I111 HydrophobicContact CB-CD1 4.26Å; L75-I111 HydrophobicContact CD2-CD1 3.91Å; L75-I115 HydrophobicContact CD2-CD1 4.28Å
76	L	98.7	Very high	97.8	Very high	77 Å²	77	63.4 Å²	63.4	40%	0.403	35%	0.347	S	S	.	.	H	α-helix	trans	-64.8	-40.5	178	-66.7	174.8	0	0	0	111.8	I72 Q79 S80 T107 I111	I72-L76 HydrophobicContact CG2-CD1 3.93Å; I72-L76 HydrophobicContact CG2-CG 4.42Å; I72-L76 WeakPolarHBondContact O-CG 3.43Å; I72-L76 PolarHBondContact O-N 3.24Å; L76-Q79 PolarHBondContact O-N 2.99Å; L76-S80 PolarHBondContact O-N 3.43Å; L76-T107 HydrophobicContact CD2-CG2 4.46Å; L76-I111 HydrophobicContact CD2-CG2 4.36Å
77	F	98.7	Very high	97.9	Very high	94 Å²	94	57.7 Å²	57.7	41%	0.412	32%	0.316	S	S	.	.	H	α-helix	trans	-59.1	-52.1	173.9	170.9	-104.4	0	0	0	111.3	L52 A73 Q74 Q79 S80 E81	L52-F77 HydrophobicContact CD2-CD1 4.29Å; L52-F77 HydrophobicContact CD2-CE1 4.4Å; A73-F77 VanDerWaalsContact O-CB 3.22Å; A73-F77 WeakPolarHBondContact O-CB 3.45Å; A73-F77 PolarHBondContact O-N 3.34Å; Q74-F77 PolarHBondContact O-N 2.9Å; F77-Q79 VanDerWaalsContact C-N 3.28Å; F77-Q79 PolarHBondContact O-N 2.95Å; F77-S80 PolarHBondContact O-N 2.82Å; F77-S80 PolarHBondContact O-OG 2.99Å; F77-E81 HydrophobicContact CE1-CG 4.12Å; F77-E81 HydrophobicContact CE2-CG 3.99Å; F77-E81 HydrophobicContact CZ-CG 3.77Å; F77-E81 PolarHBondContact O-N 2.77Å
78	L	98.6	Very high	98	Very high	4 Å²	4	58.4 Å²	58.4	2%	0.021	32%	0.318	C	S	.	.	H	α-helix	trans	-63.5	-33.4	-179.6	-70.9	-178.7	0	0	0	113.1	L52 R55 I57 Q74 L75 S82 I87	L52-L78 HydrophobicContact CD1-CD1 3.93Å; L52-L78 HydrophobicContact CD1-CD2 4.04Å; L52-L78 HydrophobicContact CD1-CG 3.99Å; L52-L78 HydrophobicContact CG-CD2 4.48Å; L52-L78 WeakPolarHBondContact O-CD2 3.43Å; R55-L78 HydrophobicContact CB-CD1 4.12Å; R55-L78 HydrophobicContact CB-CD2 4.24Å; R55-L78 HydrophobicContact CG-CD2 4.11Å; R55-L78 PolarHBondContact NH1-O 3.32Å; R55-L78 PolarHBondContact NH2-O 3.47Å; I57-L78 HydrophobicContact CD1-CD1 3.87Å; I57-L78 HydrophobicContact CG1-CD1 4Å; Q74-L78 WeakPolarHBondContact O-CB 3.48Å; Q74-L78 VanDerWaalsContact O-CG 3.28Å; Q74-L78 WeakPolarHBondContact O-CG 3.48Å; Q74-L78 PolarHBondContact O-N 3Å; L75-L78 PolarHBondContact O-N 3.19Å; L78-S82 PolarHBondContact O-N 2.81Å; L78-I87 HydrophobicContact CB-CD1 3.68Å; L78-I87 HydrophobicContact CB-CG1 4.12Å; L78-I87 HydrophobicContact CD1-CB 4.45Å; L78-I87 HydrophobicContact CD1-CD1 4.11Å; L78-I87 HydrophobicContact CD1-CG1 3.98Å; L78-I87 HydrophobicContact CD1-CG2 3.75Å
79	Q	98.1	Very high	98	Very high	38 Å²	38	58.2 Å²	58.2	18%	0.178	32%	0.316	C	S	.	.	H	α-helix	trans	-64.7	-43.9	171.8	174.3	171.8	-115.2	0	0	111.4	L75 L76 F77 E81 S82 N83 I111 N113	L75-Q79 WeakPolarHBondContact O-CB 3.49Å; L75-Q79 PolarHBondContact O-N 2.77Å; L76-Q79 PolarHBondContact O-N 2.99Å; F77-Q79 VanDerWaalsContact C-N 3.28Å; F77-Q79 PolarHBondContact O-N 2.95Å; Q79-E81 VanDerWaalsContact C-N 3.33Å; Q79-E81 PolarHBondContact O-N 3.49Å; Q79-S82 CarbonylContact O-C 3.49Å; Q79-S82 PolarHBondContact O-N 2.79Å; Q79-N83 HydrophobicContact CG-CB 4.3Å; Q79-N83 PolarHBondContact O-N 2.91Å; Q79-I111 HydrophobicContact CB-CB 4.44Å; Q79-I111 HydrophobicContact CB-CG2 4.31Å; Q79-I111 HydrophobicContact CG-CB 4.5Å; Q79-I111 VanDerWaalsContact OE1-CB 3.26Å; Q79-N113 WeakPolarHBondContact CA-OD1 3.48Å; Q79-N113 WeakPolarHBondContact CB-OD1 3.37Å
80	S	97.9	Very high	98	Very high	92 Å²	92	58 Å²	58	64%	0.643	30%	0.304	S	S	*	.	H	α-helix	trans	-65.4	-35.2	179.8	71.9	0	0	0	0	112.9	L76 F77	L76-S80 PolarHBondContact O-N 3.43Å; F77-S80 PolarHBondContact O-N 2.82Å; F77-S80 PolarHBondContact O-OG 2.99Å
81	E	97.9	Very high	98	Very high	133 Å²	133	52.8 Å²	52.8	62%	0.621	28%	0.277	S	S	*	.	H	α-helix	trans	-67.4	-37.9	174.5	-74.9	-70.5	107.4	0	0	112.4	F77 Q79	F77-E81 HydrophobicContact CE1-CG 4.12Å; F77-E81 HydrophobicContact CE2-CG 3.99Å; F77-E81 HydrophobicContact CZ-CG 3.77Å; F77-E81 PolarHBondContact O-N 2.77Å; Q79-E81 VanDerWaalsContact C-N 3.33Å; Q79-E81 PolarHBondContact O-N 3.49Å
82	S	96.4	Very high	98	Very high	18 Å²	18	55.5 Å²	55.5	13%	0.126	29%	0.291	C	S	.	.			trans	-169	122.2	177.1	163.7	0	0	0	0	109.1	R55 L78 Q79 N84 K85 N113	R55-S82 PolarHBondContact NH2-O 3.01Å; L78-S82 PolarHBondContact O-N 2.81Å; Q79-S82 CarbonylContact O-C 3.49Å; Q79-S82 PolarHBondContact O-N 2.79Å; S82-N84 PolarHBondContact OG-OD1 2.81Å; S82-K85 WeakPolarHBondContact OG-CB 3.22Å; S82-K85 WeakPolarHBondContact OG-CD 3.21Å; S82-K85 WeakPolarHBondContact OG-CG 3.31Å; S82-K85 PolarHBondContact OG-N 3.4Å; S82-N113 PolarHBondContact O-ND2 2.88Å
83	N	94.7	Very high	98	Very high	87 Å²	87	53.7 Å²	53.7	47%	0.465	28%	0.282	S	S	.	.	S	Bend	trans	-89.3	-1.7	-176.3	65.8	0.7	0	0	0	114.4	Q79 L112 N113	Q79-N83 HydrophobicContact CG-CB 4.3Å; Q79-N83 PolarHBondContact O-N 2.91Å; N83-L112 HydrophobicContact CB-CB 4.44Å; N83-L112 HydrophobicContact CB-CD1 4.32Å; N83-N113 WeakPolarHBondContact CA-ND2 3.33Å; N83-N113 PolarHBondContact O-ND2 2.86Å
84	N	93.8	Very high	97.9	Very high	115 Å²	115	53.4 Å²	53.4	62%	0.615	28%	0.275	S	S	*	.	S	Bend	trans	-113.1	-22.6	-179.1	65.1	-18.3	0	0	0	113.8	S82 N113	S82-N84 PolarHBondContact OG-OD1 2.81Å; N84-N113 PolarHBondContact N-ND2 2.83Å
85	K	97.6	Very high	97.8	Very high	120 Å²	120	51.2 Å²	51.2	52%	0.522	27%	0.266	S	S	.	.	S	Bend	trans	-74.1	136.9	-179.5	-73.5	176.2	-173.6	-178.4	0	111.3	R55 S82 N113	R55-K85 PolarHBondContact NE-O 2.88Å; R55-K85 PolarHBondContact NH2-O 2.98Å; S82-K85 WeakPolarHBondContact OG-CB 3.22Å; S82-K85 WeakPolarHBondContact OG-CD 3.21Å; S82-K85 WeakPolarHBondContact OG-CG 3.31Å; S82-K85 PolarHBondContact OG-N 3.4Å; K85-N113 PolarHBondContact O-ND2 3.25Å
86	P	98.1	Very high	97.7	Very high	53 Å²	53	52.9 Å²	52.9	34%	0.344	28%	0.283	S	S	.	.			trans	-55.3	151.9	176.3	-24.5	32.7	0	0	0	113.5	R55 P114 M138	R55-P86 WeakPolarHBondContact CD-O 3.16Å; R55-P86 PolarHBondContact NE-O 2.78Å; P86-P114 CarbonylContact C-O 3.53Å; P86-P114 VanDerWaalsContact CA-O 3.29Å; P86-P114 WeakPolarHBondContact CA-O 3.39Å; P86-P114 HydrophobicContact CB-CG 4.2Å; P86-P114 HydrophobicContact CG-CG 4.03Å; P86-M138 HydrophobicContact CB-CE 4.21Å
87	I	98.8	Very high	97.7	Very high	0 Å²	0	52.2 Å²	52.2	0%	0	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	135	171.3	-62.7	173.4	0	0	0	107.9	I57 L75 L78 I111 N113 P114 I115 S116	I57-I87 HydrophobicContact CD1-CG2 4Å; I57-I87 HydrophobicContact CG1-CG2 4.43Å; L75-I87 HydrophobicContact CD2-CD1 4.27Å; L75-I87 HydrophobicContact CD2-CG2 4.07Å; L78-I87 HydrophobicContact CB-CD1 3.68Å; L78-I87 HydrophobicContact CB-CG1 4.12Å; L78-I87 HydrophobicContact CD1-CB 4.45Å; L78-I87 HydrophobicContact CD1-CD1 4.11Å; L78-I87 HydrophobicContact CD1-CG1 3.98Å; L78-I87 HydrophobicContact CD1-CG2 3.75Å; I87-I111 HydrophobicContact CD1-CD1 3.67Å; I87-N113 HydrophobicContact CD1-CB 3.78Å; I87-N113 HydrophobicContact CG1-CB 4.06Å; I87-P114 PolarHBondContact N-O 3.4Å; I87-I115 CarbonylContact O-C 3.15Å; I87-I115 WeakPolarHBondContact O-CA 3.43Å; I87-S116 PolarHBondContact O-N 3.12Å
88	H	98.8	Very high	97.6	Very high	56 Å²	56	48.9 Å²	48.9	26%	0.259	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	118.3	-179.9	-63.7	-95	0	0	0	109.9	R55 I56 I57 Y90 S116 W118	R55-H88 PolarHBondContact O-N 2.88Å; I56-H88 CarbonylContact C-O 3.58Å; I56-H88 WeakPolarHBondContact CA-O 3.37Å; I56-H88 HydrophobicContact CG1-CB 4.01Å; I57-H88 PolarHBondContact N-O 2.81Å; H88-Y90 HydrophobicContact CB-CE2 4.26Å; H88-S116 CarbonylContact C-O 3.55Å; H88-S116 WeakPolarHBondContact CA-O 3.23Å; H88-W118 AromaticContact ND1-CE2 3.93Å; H88-W118 AromaticContact ND1-NE1 3.32Å; H88-W118 PolarHBondContact ND1-NE1 3.39Å
89	M	98.8	Very high	97.6	Very high	0 Å²	0	53.1 Å²	53.1	0%	0	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	108	176.5	-72.4	-176.9	72	0	0	110	I57 V59 V71 L75 I104 M108 I115 S116 T117 W118	I57-M89 HydrophobicContact CB-CG 4.39Å; I57-M89 WeakPolarHBondContact O-CA 3.43Å; V59-M89 HydrophobicContact CG2-CE 3.78Å; V71-M89 HydrophobicContact CG1-CE 4.02Å; L75-M89 HydrophobicContact CD2-SD 4.15Å; M89-I104 HydrophobicContact CE-CG2 4.01Å; M89-M108 HydrophobicContact CE-CG 4.33Å; M89-M108 HydrophobicContact CE-SD 3.9Å; M89-M108 HydrophobicContact SD-CE 4.07Å; M89-M108 HydrophobicContact SD-CG 3.85Å; M89-M108 HydrophobicContact SD-SD 3.83Å; M89-I115 HydrophobicContact CB-CG2 4.33Å; M89-I115 HydrophobicContact CG-CG2 3.83Å; M89-I115 HydrophobicContact SD-CG2 3.55Å; M89-I115 VanDerWaalsContact SD-CG2 3.55Å; M89-S116 PolarHBondContact N-O 2.99Å; M89-T117 HydrophobicContact CB-CG2 4.36Å; M89-T117 CarbonylContact O-C 3.38Å; M89-T117 WeakPolarHBondContact O-CA 3.5Å; M89-W118 PolarHBondContact O-N 3.03Å
90	Y	98.8	Very high	97.7	Very high	75 Å²	75	51.5 Å²	51.5	29%	0.294	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	132.2	171.9	-79.4	-113.2	0	0	0	109.1	I56 I57 V59 M60 H88 W118 V120	I56-Y90 HydrophobicContact CG2-CD2 3.8Å; I56-Y90 HydrophobicContact CG2-CE2 4.13Å; I57-Y90 PolarHBondContact O-N 3.07Å; V59-Y90 PolarHBondContact N-O 3.4Å; M60-Y90 WeakPolarHBondContact CE-O 3.41Å; H88-Y90 HydrophobicContact CB-CE2 4.26Å; Y90-W118 HydrophobicContact CD1-CB 3.97Å; Y90-W118 HydrophobicContact CD2-CB 4.14Å; Y90-W118 HydrophobicContact CD2-CG 4.15Å; Y90-W118 HydrophobicContact CE1-CB 4.09Å; Y90-W118 HydrophobicContact CE1-CG 4.32Å; Y90-W118 HydrophobicContact CE2-CB 4.25Å; Y90-W118 AromaticContact CE2-CD1 3.83Å; Y90-W118 HydrophobicContact CE2-CD2 4.37Å; Y90-W118 AromaticContact CE2-CG 3.88Å; Y90-W118 HydrophobicContact CE2-CG 3.88Å; Y90-W118 HydrophobicContact CG-CB 4Å; Y90-W118 HydrophobicContact CG-CG 4.48Å; Y90-W118 AromaticContact CZ-CG 3.97Å; Y90-V120 HydrophobicContact CD1-CG1 3.93Å; Y90-V120 HydrophobicContact CD1-CG2 4.43Å; Y90-V120 HydrophobicContact CE1-CG1 4.28Å
91	I	98.8	Very high	97.7	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	117.3	-172.3	-57.3	172.5	0	0	0	109.1	V59 T117 W118 V120 A123 L130 L131	V59-I91 HydrophobicContact CB-CG1 4.36Å; I91-T117 HydrophobicContact CD1-CG2 4.29Å; I91-W118 PolarHBondContact N-O 2.73Å; I91-V120 PolarHBondContact O-N 2.79Å; I91-A123 HydrophobicContact CG2-CB 4.15Å; I91-L130 HydrophobicContact CD1-CB 4.11Å; I91-L131 HydrophobicContact CD1-CB 4.03Å
92	N	98.4	Very high	97.8	Very high	60 Å²	60	41.5 Å²	41.5	32%	0.321	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	79.7	167	-172.7	0.9	0	0	0	108.4	V59 M60 G61 V120 Q122	V59-N92 PolarHBondContact O-N 2.85Å; M60-N92 HydrophobicContact CE-CB 4.27Å; M60-N92 HydrophobicContact SD-CB 3.54Å; M60-N92 VanDerWaalsContact SD-CB 3.54Å; G61-N92 PolarHBondContact N-O 3.29Å; N92-V120 WeakPolarHBondContact CA-O 3.35Å; N92-V120 HydrophobicContact CB-CG2 4.1Å; N92-V120 WeakPolarHBondContact CB-O 3.38Å; N92-V120 PolarHBondContact OD1-O 2.92Å; N92-Q122 CarbonylContact C-O 3.53Å; N92-Q122 VanDerWaalsContact CA-O 3.23Å; N92-Q122 WeakPolarHBondContact CA-O 3.49Å; N92-Q122 PolarHBondContact OD1-N 3.36Å
93	S	98.2	Very high	97.9	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	133.2	-170.1	-175.5	0	0	0	0	112.3	G61 G95 Q122 A124	G61-S93 VanDerWaalsContact O-CB 3.3Å; G61-S93 WeakPolarHBondContact O-CB 3.27Å; G61-S93 PolarHBondContact O-OG 3.48Å; S93-G95 PolarHBondContact O-N 2.85Å; S93-G95 PolarHBondContact OG-N 2.92Å; S93-Q122 PolarHBondContact N-O 2.96Å; S93-A124 PolarHBondContact O-N 3Å
94	P	97.4	Very high	98.1	Very high	51 Å²	51	38.4 Å²	38.4	33%	0.331	22%	0.22	S	C	.	.			trans	-74.9	2.7	168.2	34.8	-35.5	0	0	0	112.8	G61 P62 A124	G61-P94 WeakPolarHBondContact O-CD 3.35Å; P62-P94 HydrophobicContact CB-CG 4.5Å; P62-P94 HydrophobicContact CG-CG 4.22Å; P94-A124 CarbonylContact C-O 3.45Å
95	G	97.1	Very high	98.3	Very high	3 Å²	3	33.6 Å²	33.6	3%	0.031	19%	0.193	C	C	.	.			trans	90.5	-158.9	-170.9	0	0	0	0	0	112	P62 I63 S93 A124	P62-G95 CarbonylContact C-O 3.39Å; P62-G95 VanDerWaalsContact CA-O 3.3Å; P62-G95 WeakPolarHBondContact CA-O 3.46Å; I63-G95 PolarHBondContact N-O 3.38Å; S93-G95 PolarHBondContact O-N 2.85Å; S93-G95 PolarHBondContact OG-N 2.92Å; G95-A124 WeakPolarHBondContact CA-O 3.27Å; G95-A124 PolarHBondContact N-O 3.37Å; G95-A124 VanDerWaalsContact N-O 3.12Å
96	G	96.6	Very high	98.4	Very high	35 Å²	35	32.2 Å²	32.2	36%	0.361	19%	0.191	S	C	.	.	B	Isolated β-bridge	trans	162.2	-141.8	-179.3	0	0	0	0	0	112.8	I63 V98	I63-G96 CarbonylContact O-C 3.55Å; I63-G96 VanDerWaalsContact O-CA 3.27Å; I63-G96 WeakPolarHBondContact O-CA 3.23Å; G96-V98 PolarHBondContact O-N 3.25Å
97	V	97.9	Very high	98.4	Very high	63 Å²	63	30.7 Å²	30.7	38%	0.382	18%	0.181	S	C	.	.			trans	-63.9	125	-177.9	-178.3	0	0	0	0	110	I63 T99 A100 G101	I63-V97 PolarHBondContact O-N 3.48Å; V97-T99 VanDerWaalsContact CG1-OG1 3.32Å; V97-T99 WeakPolarHBondContact CG1-OG1 3.29Å; V97-A100 HydrophobicContact CB-CB 3.9Å; V97-A100 HydrophobicContact CG1-CB 4.12Å; V97-A100 PolarHBondContact O-N 3.22Å; V97-G101 PolarHBondContact O-N 3.26Å; V97-G101 VanDerWaalsContact O-N 3.08Å
98	V	98	Very high	98.4	Very high	24 Å²	24	31 Å²	31	15%	0.145	18%	0.183	C	C	.	.	H	α-helix	trans	-64.7	-45.6	-174.9	177.4	0	0	0	0	111.7	G96 A100 G101 L102 M126 P152 L173 I177	G96-V98 PolarHBondContact O-N 3.25Å; V98-A100 VanDerWaalsContact C-N 3.35Å; V98-A100 PolarHBondContact O-N 3.45Å; V98-G101 PolarHBondContact O-N 2.83Å; V98-L102 HydrophobicContact CG1-CD1 3.89Å; V98-L102 HydrophobicContact CG1-CG 4.19Å; V98-L102 WeakPolarHBondContact O-CG 3.38Å; V98-L102 PolarHBondContact O-N 2.97Å; V98-M126 HydrophobicContact CB-SD 4.46Å; V98-M126 HydrophobicContact CG1-SD 4.16Å; V98-M126 HydrophobicContact CG2-SD 4.41Å; V98-P152 HydrophobicContact CG2-CB 4.37Å; V98-L173 HydrophobicContact CB-CD2 4.16Å; V98-L173 HydrophobicContact CG1-CD1 3.78Å; V98-L173 HydrophobicContact CG1-CD2 3.79Å; V98-L173 HydrophobicContact CG1-CG 3.98Å; V98-L173 HydrophobicContact CG2-CD2 4.44Å; V98-I177 HydrophobicContact CG1-CD1 3.8Å
99	T	98.4	Very high	98.4	Very high	93 Å²	93	32 Å²	32	57%	0.571	19%	0.187	S	C	*	.	H	α-helix	trans	-61.9	-42.1	179.7	48.8	0	0	0	0	111.9	V97 G101 L102 A103	V97-T99 VanDerWaalsContact CG1-OG1 3.32Å; V97-T99 WeakPolarHBondContact CG1-OG1 3.29Å; T99-G101 PolarHBondContact O-N 2.92Å; T99-L102 PolarHBondContact O-N 3.22Å; T99-A103 PolarHBondContact O-N 3.43Å
100	A	98.7	Very high	98.4	Very high	3 Å²	3	40.6 Å²	40.6	3%	0.025	22%	0.221	C	C	.	.	H	α-helix	trans	-59.3	-46.8	174.4	0	0	0	0	0	111.7	I63 D65 A68 V97 V98 A103 I104	I63-A100 HydrophobicContact CG2-CB 3.99Å; D65-A100 WeakPolarHBondContact OD1-CB 3.24Å; A68-A100 HydrophobicContact CB-CB 3.82Å; A68-A100 WeakPolarHBondContact CB-O 3.44Å; V97-A100 HydrophobicContact CB-CB 3.9Å; V97-A100 HydrophobicContact CG1-CB 4.12Å; V97-A100 PolarHBondContact O-N 3.22Å; V98-A100 VanDerWaalsContact C-N 3.35Å; V98-A100 PolarHBondContact O-N 3.45Å; A100-A103 PolarHBondContact O-N 2.93Å; A100-I104 PolarHBondContact O-N 3.1Å
101	G	98.7	Very high	98.4	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-67.4	-36.2	177	0	0	0	0	0	113.2	V97 V98 T99 A103 I104 Y105 M126	V97-G101 PolarHBondContact O-N 3.26Å; V97-G101 VanDerWaalsContact O-N 3.08Å; V98-G101 PolarHBondContact O-N 2.83Å; T99-G101 PolarHBondContact O-N 2.92Å; G101-A103 VanDerWaalsContact C-N 3.33Å; G101-I104 PolarHBondContact O-N 3.15Å; G101-Y105 WeakPolarHBondContact O-CB 3.42Å; G101-Y105 PolarHBondContact O-N 3.35Å; G101-M126 VanDerWaalsContact C-CE 3.42Å; G101-M126 VanDerWaalsContact CA-CE 3.5Å
102	L	98.8	Very high	98.4	Very high	15 Å²	15	43.6 Å²	43.6	8%	0.079	24%	0.241	C	C	.	.	H	α-helix	trans	-66.1	-35.1	174.7	-73.8	175.5	0	0	0	112	V98 T99 Y105 D106 M126 L173 I180	V98-L102 HydrophobicContact CG1-CD1 3.89Å; V98-L102 HydrophobicContact CG1-CG 4.19Å; V98-L102 WeakPolarHBondContact O-CG 3.38Å; V98-L102 PolarHBondContact O-N 2.97Å; T99-L102 PolarHBondContact O-N 3.22Å; L102-Y105 WeakPolarHBondContact O-CB 3.41Å; L102-Y105 PolarHBondContact O-N 2.93Å; L102-D106 PolarHBondContact O-N 3.06Å; L102-M126 HydrophobicContact CD2-CE 4.46Å; L102-M126 HydrophobicContact CG-CE 4.3Å; L102-L173 HydrophobicContact CD1-CD1 3.88Å; L102-I180 HydrophobicContact CD2-CD1 3.67Å
103	A	98.9	Very high	98.4	Very high	40 Å²	40	41 Å²	41	33%	0.331	23%	0.227	S	C	.	.	H	α-helix	trans	-64.4	-40.5	174.5	0	0	0	0	0	112.2	I72 T99 A100 G101 T107	I72-A103 HydrophobicContact CD1-CB 3.73Å; T99-A103 PolarHBondContact O-N 3.43Å; A100-A103 PolarHBondContact O-N 2.93Å; G101-A103 VanDerWaalsContact C-N 3.33Å; A103-T107 WeakPolarHBondContact O-CB 2.97Å; A103-T107 PolarHBondContact O-N 3.03Å; A103-T107 VanDerWaalsContact O-N 3.15Å; A103-T107 PolarHBondContact O-OG1 3.26Å
104	I	98.9	Very high	98.4	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-63.6	-48.4	172	-60.4	168.6	0	0	0	109.8	I63 A68 V71 I72 M89 A100 G101 D106 T107 M108 L130	I63-I104 HydrophobicContact CG2-CD1 4.28Å; A68-I104 HydrophobicContact CB-CD1 3.95Å; A68-I104 HydrophobicContact CB-CG1 3.83Å; V71-I104 HydrophobicContact CB-CD1 4.27Å; V71-I104 HydrophobicContact CB-CG1 4.31Å; V71-I104 HydrophobicContact CG1-CD1 4.28Å; V71-I104 HydrophobicContact CG1-CG1 4.16Å; V71-I104 HydrophobicContact CG1-CG2 3.72Å; I72-I104 HydrophobicContact CG1-CG1 4.4Å; M89-I104 HydrophobicContact CE-CG2 4.01Å; A100-I104 PolarHBondContact O-N 3.1Å; G101-I104 PolarHBondContact O-N 3.15Å; I104-D106 PolarHBondContact O-N 3.22Å; I104-T107 WeakPolarHBondContact O-CB 3.4Å; I104-T107 PolarHBondContact O-N 3.42Å; I104-M108 HydrophobicContact CG2-CG 4.24Å; I104-M108 HydrophobicContact CG2-SD 4.02Å; I104-M108 WeakPolarHBondContact O-CG 3.35Å; I104-M108 PolarHBondContact O-N 3.36Å; I104-L130 HydrophobicContact CB-CD1 4.32Å; I104-L130 HydrophobicContact CB-CD2 3.94Å; I104-L130 HydrophobicContact CD1-CD1 4.01Å; I104-L130 HydrophobicContact CG2-CD1 4.04Å; I104-L130 HydrophobicContact CG2-CD2 3.75Å
105	Y	98.9	Very high	98.5	Very high	14 Å²	14	40.5 Å²	40.5	6%	0.055	22%	0.224	C	C	.	.	H	α-helix	trans	-54.4	-52.6	179.8	167.9	-95.5	0	0	0	111.9	G101 L102 T107 M108 Q109 L129 A133 I180 H184	G101-Y105 WeakPolarHBondContact O-CB 3.42Å; G101-Y105 PolarHBondContact O-N 3.35Å; L102-Y105 WeakPolarHBondContact O-CB 3.41Å; L102-Y105 PolarHBondContact O-N 2.93Å; Y105-T107 VanDerWaalsContact C-N 3.28Å; Y105-T107 PolarHBondContact O-N 2.94Å; Y105-M108 VanDerWaalsContact O-CB 3.31Å; Y105-M108 WeakPolarHBondContact O-CB 3.2Å; Y105-M108 PolarHBondContact O-N 3.06Å; Y105-M108 VanDerWaalsContact O-N 3.1Å; Y105-Q109 HydrophobicContact CE1-CG 4.14Å; Y105-Q109 HydrophobicContact CE2-CG 4.09Å; Y105-Q109 WeakPolarHBondContact O-CG 3.31Å; Y105-Q109 PolarHBondContact O-N 2.66Å; Y105-Q109 VanDerWaalsContact O-N 3.08Å; Y105-L129 HydrophobicContact CD2-CD2 3.62Å; Y105-L129 HydrophobicContact CE2-CD2 4.41Å; Y105-L129 HydrophobicContact CG-CD2 3.95Å; Y105-A133 HydrophobicContact CD2-CB 3.46Å; Y105-A133 VanDerWaalsContact CD2-CB 3.46Å; Y105-A133 HydrophobicContact CE2-CB 3.57Å; Y105-I180 HydrophobicContact CD1-CD1 4.29Å; Y105-I180 HydrophobicContact CD2-CG2 4.22Å; Y105-I180 HydrophobicContact CE1-CD1 3.97Å; Y105-I180 HydrophobicContact CE1-CG1 4.25Å; Y105-I180 HydrophobicContact CE1-CG2 4.43Å; Y105-I180 HydrophobicContact CE2-CG2 3.55Å; Y105-H184 AromaticContact CE2-CD2 3.96Å; Y105-H184 AromaticContact CE2-NE2 3.35Å; Y105-H184 VanDerWaalsContact CE2-NE2 3.35Å; Y105-H184 WeakPolarHBondContact CE2-NE2 3.39Å; Y105-H184 AromaticContact CZ-NE2 3.72Å; Y105-H184 PolarHBondContact OH-NE2 3.05Å
106	D	98.9	Very high	98.6	Very high	92 Å²	92	40.4 Å²	40.4	49%	0.492	22%	0.223	S	C	.	.	H	α-helix	trans	-64	-37	-179	-73.5	-25.9	0	0	0	111.1	L102 I104 M108 Q109 Y110	L102-D106 PolarHBondContact O-N 3.06Å; I104-D106 PolarHBondContact O-N 3.22Å; D106-M108 PolarHBondContact O-N 3.19Å; D106-Q109 PolarHBondContact O-N 2.97Å; D106-Y110 WeakPolarHBondContact O-CB 3.23Å; D106-Y110 PolarHBondContact O-N 3.31Å
107	T	98.9	Very high	98.7	Very high	20 Å²	20	38.8 Å²	38.8	12%	0.123	21%	0.206	C	C	.	.	H	α-helix	trans	-63.3	-41.3	173.8	-55.6	0	0	0	0	111.6	I72 L75 L76 A103 I104 Y105 Q109 Y110 I111	I72-T107 HydrophobicContact CG1-CG2 4.47Å; I72-T107 HydrophobicContact CG2-CG2 4.18Å; L75-T107 HydrophobicContact CB-CG2 3.99Å; L75-T107 HydrophobicContact CD1-CG2 3.83Å; L76-T107 HydrophobicContact CD2-CG2 4.46Å; A103-T107 WeakPolarHBondContact O-CB 2.97Å; A103-T107 PolarHBondContact O-N 3.03Å; A103-T107 VanDerWaalsContact O-N 3.15Å; A103-T107 PolarHBondContact O-OG1 3.26Å; I104-T107 WeakPolarHBondContact O-CB 3.4Å; I104-T107 PolarHBondContact O-N 3.42Å; Y105-T107 VanDerWaalsContact C-N 3.28Å; Y105-T107 PolarHBondContact O-N 2.94Å; T107-Q109 VanDerWaalsContact C-N 3.26Å; T107-Q109 PolarHBondContact O-N 2.89Å; T107-Y110 PolarHBondContact O-N 3.49Å; T107-I111 HydrophobicContact CG2-CG2 4.35Å; T107-I111 WeakPolarHBondContact O-CG2 3.44Å; T107-I111 PolarHBondContact O-N 3.23Å; T107-I111 VanDerWaalsContact O-N 3.13Å
108	M	98.9	Very high	98.7	Very high	7 Å²	7	37.8 Å²	37.8	3%	0.034	20%	0.195	C	C	.	.	H	α-helix	trans	-59	-38.7	175.1	-71.9	170.3	61.3	0	0	111.9	L75 M89 I104 Y105 D106 I115 T117 L130 A133	L75-M108 HydrophobicContact CD1-CG 4.12Å; M89-M108 HydrophobicContact CE-CG 4.33Å; M89-M108 HydrophobicContact CE-SD 3.9Å; M89-M108 HydrophobicContact SD-CE 4.07Å; M89-M108 HydrophobicContact SD-CG 3.85Å; M89-M108 HydrophobicContact SD-SD 3.83Å; I104-M108 HydrophobicContact CG2-CG 4.24Å; I104-M108 HydrophobicContact CG2-SD 4.02Å; I104-M108 WeakPolarHBondContact O-CG 3.35Å; I104-M108 PolarHBondContact O-N 3.36Å; Y105-M108 VanDerWaalsContact O-CB 3.31Å; Y105-M108 WeakPolarHBondContact O-CB 3.2Å; Y105-M108 PolarHBondContact O-N 3.06Å; Y105-M108 VanDerWaalsContact O-N 3.1Å; D106-M108 PolarHBondContact O-N 3.19Å; M108-I115 VanDerWaalsContact CA-CD1 3.46Å; M108-I115 HydrophobicContact CB-CD1 3.54Å; M108-I115 HydrophobicContact CE-CG2 4.17Å; M108-I115 HydrophobicContact CG-CD1 3.69Å; M108-I115 WeakPolarHBondContact O-CD1 3.44Å; M108-T117 HydrophobicContact CE-CG2 4.11Å; M108-L130 WeakPolarHBondContact CE-O 3.44Å; M108-L130 HydrophobicContact SD-CD2 3.81Å; M108-A133 HydrophobicContact CE-CB 3.94Å
109	Q	98.8	Very high	98.7	Very high	76 Å²	76	36.7 Å²	36.7	36%	0.355	19%	0.189	S	C	.	.	H	α-helix	trans	-80.2	-26.1	178.6	-52.7	-50.7	-78.3	0	0	112.9	Y105 D106 T107 A133	Y105-Q109 HydrophobicContact CE1-CG 4.14Å; Y105-Q109 HydrophobicContact CE2-CG 4.09Å; Y105-Q109 WeakPolarHBondContact O-CG 3.31Å; Y105-Q109 PolarHBondContact O-N 2.66Å; Y105-Q109 VanDerWaalsContact O-N 3.08Å; D106-Q109 PolarHBondContact O-N 2.97Å; T107-Q109 VanDerWaalsContact C-N 3.26Å; T107-Q109 PolarHBondContact O-N 2.89Å; Q109-A133 PolarHBondContact NE2-O 3.01Å
110	Y	98.8	Very high	98.7	Very high	182 Å²	182	33.7 Å²	33.7	71%	0.714	17%	0.17	S	C	*	.	H	α-helix	trans	-76.1	-38.6	-177.3	176.5	-102.6	0	0	0	112.7	D106 T107	D106-Y110 WeakPolarHBondContact O-CB 3.23Å; D106-Y110 PolarHBondContact O-N 3.31Å; T107-Y110 PolarHBondContact O-N 3.49Å
111	I	98.6	Very high	98.6	Very high	10 Å²	10	35.7 Å²	35.7	5%	0.051	19%	0.191	C	C	.	.	S	Bend	trans	-72.7	151	-178.8	69.8	176.8	0	0	0	111.8	L75 L76 Q79 I87 T107 N113 I115	L75-I111 HydrophobicContact CB-CD1 4.26Å; L75-I111 HydrophobicContact CD2-CD1 3.91Å; L76-I111 HydrophobicContact CD2-CG2 4.36Å; Q79-I111 HydrophobicContact CB-CB 4.44Å; Q79-I111 HydrophobicContact CB-CG2 4.31Å; Q79-I111 HydrophobicContact CG-CB 4.5Å; Q79-I111 VanDerWaalsContact OE1-CB 3.26Å; I87-I111 HydrophobicContact CD1-CD1 3.67Å; T107-I111 HydrophobicContact CG2-CG2 4.35Å; T107-I111 WeakPolarHBondContact O-CG2 3.44Å; T107-I111 PolarHBondContact O-N 3.23Å; T107-I111 VanDerWaalsContact O-N 3.13Å; I111-N113 VanDerWaalsContact C-N 3.33Å; I111-N113 HydrophobicContact CD1-CB 4.22Å; I111-N113 HydrophobicContact CG1-CB 4.46Å; I111-I115 HydrophobicContact CD1-CD1 3.76Å; I111-I115 HydrophobicContact CD1-CG1 4.2Å; I111-I115 HydrophobicContact CG1-CD1 4.05Å
112	L	98.4	Very high	98.6	Very high	127 Å²	127	36.7 Å²	36.7	67%	0.665	20%	0.196	S	C	*	.	S	Bend	trans	-77.5	-21.3	-177.2	-61	178.3	0	0	0	113.6	N83	N83-L112 HydrophobicContact CB-CB 4.44Å; N83-L112 HydrophobicContact CB-CD1 4.32Å
113	N	98.6	Very high	98.6	Very high	5 Å²	5	36 Å²	36	3%	0.027	19%	0.192	C	C	.	.	S	Bend	trans	-67.3	138	-175.9	-62.6	88.8	0	0	0	111.4	R55 Q79 S82 N83 N84 K85 I87 I111 I115	R55-N113 PolarHBondContact NH2-ND2 3.26Å; Q79-N113 WeakPolarHBondContact CA-OD1 3.48Å; Q79-N113 WeakPolarHBondContact CB-OD1 3.37Å; S82-N113 PolarHBondContact O-ND2 2.88Å; N83-N113 WeakPolarHBondContact CA-ND2 3.33Å; N83-N113 PolarHBondContact O-ND2 2.86Å; N84-N113 PolarHBondContact N-ND2 2.83Å; K85-N113 PolarHBondContact O-ND2 3.25Å; I87-N113 HydrophobicContact CD1-CB 3.78Å; I87-N113 HydrophobicContact CG1-CB 4.06Å; I111-N113 VanDerWaalsContact C-N 3.33Å; I111-N113 HydrophobicContact CD1-CB 4.22Å; I111-N113 HydrophobicContact CG1-CB 4.46Å; N113-I115 PolarHBondContact O-N 3.4Å
114	P	98.5	Very high	98.6	Very high	38 Å²	38	34.3 Å²	34.3	25%	0.247	18%	0.178	C	C	.	.			trans	-66.1	135.4	166.4	27.1	-30.4	0	0	0	109.7	P86 I87 T135 M138	P86-P114 CarbonylContact C-O 3.53Å; P86-P114 VanDerWaalsContact CA-O 3.29Å; P86-P114 WeakPolarHBondContact CA-O 3.39Å; P86-P114 HydrophobicContact CB-CG 4.2Å; P86-P114 HydrophobicContact CG-CG 4.03Å; I87-P114 PolarHBondContact N-O 3.4Å; P114-T135 WeakPolarHBondContact CA-OG1 3.48Å; P114-T135 HydrophobicContact CB-CG2 4.26Å; P114-M138 HydrophobicContact CB-SD 3.9Å
115	I	98.8	Very high	98.5	Very high	3 Å²	3	35.3 Å²	35.3	2%	0.015	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	116.2	-177.5	-57.6	179.5	0	0	0	109.3	L75 I87 M89 M108 I111 N113 T117 T135	L75-I115 HydrophobicContact CD2-CD1 4.28Å; I87-I115 CarbonylContact O-C 3.15Å; I87-I115 WeakPolarHBondContact O-CA 3.43Å; M89-I115 HydrophobicContact CB-CG2 4.33Å; M89-I115 HydrophobicContact CG-CG2 3.83Å; M89-I115 HydrophobicContact SD-CG2 3.55Å; M89-I115 VanDerWaalsContact SD-CG2 3.55Å; M108-I115 VanDerWaalsContact CA-CD1 3.46Å; M108-I115 HydrophobicContact CB-CD1 3.54Å; M108-I115 HydrophobicContact CE-CG2 4.17Å; M108-I115 HydrophobicContact CG-CD1 3.69Å; M108-I115 WeakPolarHBondContact O-CD1 3.44Å; I111-I115 HydrophobicContact CD1-CD1 3.76Å; I111-I115 HydrophobicContact CD1-CG1 4.2Å; I111-I115 HydrophobicContact CG1-CD1 4.05Å; N113-I115 PolarHBondContact O-N 3.4Å; I115-T117 HydrophobicContact CG2-CG2 4.28Å; I115-T135 PolarHBondContact N-OG1 2.99Å; I115-T135 PolarHBondContact O-N 2.74Å; I115-T135 PolarHBondContact O-OG1 3.48Å
116	S	98.7	Very high	98.5	Very high	2 Å²	2	34.9 Å²	34.9	1%	0.014	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	123.1	173.5	-179.9	0	0	0	0	110	I87 H88 M89 W118 M138 H140	I87-S116 PolarHBondContact O-N 3.12Å; H88-S116 CarbonylContact C-O 3.55Å; H88-S116 WeakPolarHBondContact CA-O 3.23Å; M89-S116 PolarHBondContact N-O 2.99Å; S116-W118 PolarHBondContact OG-NE1 3.26Å; S116-M138 CarbonylContact C-O 3.56Å; S116-M138 VanDerWaalsContact CA-O 3.23Å; S116-M138 WeakPolarHBondContact CA-O 3.4Å; S116-M138 PolarHBondContact OG-O 3.38Å; S116-H140 PolarHBondContact OG-CD2 2.71Å; S116-H140 PolarHBondContact OG-NE2 2.95Å
117	T	98.9	Very high	98.5	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	139.5	-177.9	52.6	0	0	0	0	110.8	M89 I91 M108 I115 L131 M138 R139 H140	M89-T117 HydrophobicContact CB-CG2 4.36Å; M89-T117 CarbonylContact O-C 3.38Å; M89-T117 WeakPolarHBondContact O-CA 3.5Å; I91-T117 HydrophobicContact CD1-CG2 4.29Å; M108-T117 HydrophobicContact CE-CG2 4.11Å; I115-T117 HydrophobicContact CG2-CG2 4.28Å; T117-L131 PolarHBondContact OG1-O 2.93Å; T117-M138 PolarHBondContact N-O 2.73Å; T117-R139 WeakPolarHBondContact OG1-CA 3.39Å; T117-H140 WeakPolarHBondContact O-CA 3.42Å; T117-H140 VanDerWaalsContact O-CB 3.27Å; T117-H140 WeakPolarHBondContact O-CB 3.4Å; T117-H140 PolarHBondContact O-N 3.06Å
118	W	98.7	Very high	98.5	Very high	43 Å²	43	29.5 Å²	29.5	16%	0.163	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	106.7	-173.5	-59.7	77.4	0	0	0	110.7	H88 M89 Y90 I91 S116 V120 H140 L217	H88-W118 AromaticContact ND1-CE2 3.93Å; H88-W118 AromaticContact ND1-NE1 3.32Å; H88-W118 PolarHBondContact ND1-NE1 3.39Å; M89-W118 PolarHBondContact O-N 3.03Å; Y90-W118 HydrophobicContact CD1-CB 3.97Å; Y90-W118 HydrophobicContact CD2-CB 4.14Å; Y90-W118 HydrophobicContact CD2-CG 4.15Å; Y90-W118 HydrophobicContact CE1-CB 4.09Å; Y90-W118 HydrophobicContact CE1-CG 4.32Å; Y90-W118 HydrophobicContact CE2-CB 4.25Å; Y90-W118 AromaticContact CE2-CD1 3.83Å; Y90-W118 HydrophobicContact CE2-CD2 4.37Å; Y90-W118 AromaticContact CE2-CG 3.88Å; Y90-W118 HydrophobicContact CE2-CG 3.88Å; Y90-W118 HydrophobicContact CG-CB 4Å; Y90-W118 HydrophobicContact CG-CG 4.48Å; Y90-W118 AromaticContact CZ-CG 3.97Å; I91-W118 PolarHBondContact N-O 2.73Å; S116-W118 PolarHBondContact OG-NE1 3.26Å; W118-V120 PolarHBondContact O-N 3.02Å; W118-H140 HydrophobicContact CD2-CB 3.93Å; W118-H140 AromaticContact CD2-CD2 3.8Å; W118-H140 AromaticContact CE2-CD2 3.4Å; W118-H140 HydrophobicContact CE3-CB 3.68Å; W118-H140 HydrophobicContact CG-CB 4.44Å; W118-H140 AromaticContact CH2-CD2 3.67Å; W118-H140 AromaticContact CZ2-CD2 3.33Å; W118-H140 WeakPolarHBondContact CZ2-CD2 3.29Å; W118-H140 AromaticContact CZ2-NE2 3.82Å; W118-H140 HydrophobicContact CZ3-CB 4.01Å; W118-H140 AromaticContact NE1-CD2 3.85Å; W118-L217 HydrophobicContact CE3-CD1 4.39Å; W118-L217 HydrophobicContact CH2-CD1 4.41Å; W118-L217 HydrophobicContact CH2-CD2 4Å; W118-L217 HydrophobicContact CZ3-CD1 3.76Å; W118-L217 HydrophobicContact CZ3-CD2 3.82Å; W118-L217 HydrophobicContact CZ3-CG 4.37Å
119	C	98.7	Very high	98.5	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	117.3	173.4	-171.3	0	0	0	0	110.8	A123 L131 H140 L142 A145	C119-A123 HydrophobicContact CB-CB 4.39Å; C119-A123 VanDerWaalsContact SG-CB 3.51Å; C119-A123 PolarHBondContact SG-N 3.36Å; C119-L131 HydrophobicContact CB-CD1 3.91Å; C119-L131 HydrophobicContact CB-CD2 3.73Å; C119-L131 HydrophobicContact CB-CG 4.47Å; C119-H140 PolarHBondContact N-O 3.3Å; C119-L142 PolarHBondContact O-N 2.83Å; C119-L142 VanDerWaalsContact O-N 3.08Å; C119-A145 HydrophobicContact CB-CB 4.47Å
120	V	97.6	Very high	98.5	Very high	30 Å²	30	25.7 Å²	25.7	18%	0.182	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	122.9	174.2	-57.7	0	0	0	0	108.7	Y90 I91 N92 W118 Q122 L142	Y90-V120 HydrophobicContact CD1-CG1 3.93Å; Y90-V120 HydrophobicContact CD1-CG2 4.43Å; Y90-V120 HydrophobicContact CE1-CG1 4.28Å; I91-V120 PolarHBondContact O-N 2.79Å; N92-V120 WeakPolarHBondContact CA-O 3.35Å; N92-V120 HydrophobicContact CB-CG2 4.1Å; N92-V120 WeakPolarHBondContact CB-O 3.38Å; N92-V120 PolarHBondContact OD1-O 2.92Å; W118-V120 PolarHBondContact O-N 3.02Å; V120-Q122 PolarHBondContact O-N 3.41Å; V120-L142 HydrophobicContact CB-CD1 4.26Å; V120-L142 HydrophobicContact CG1-CD1 3.64Å; V120-L142 HydrophobicContact CG1-CG 4.01Å
121	G	97.5	Very high	98.5	Very high	45 Å²	45	17 Å²	17	46%	0.464	10%	0.102	S	C	.	.	E	Extended strand (participates in β ladder)	trans	76.6	-80.7	-172.9	0	0	0	0	0	112.5	A145 R146	G121-A145 CarbonylContact O-C 3.58Å; G121-A145 VanDerWaalsContact O-CA 3.25Å; G121-A145 WeakPolarHBondContact O-CA 3.18Å; G121-R146 PolarHBondContact O-N 2.93Å
122	Q	98.1	Very high	98.5	Very high	22 Å²	22	16.6 Å²	16.6	10%	0.103	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.3	149.8	177.4	70.6	-178.8	-37	0	0	115.1	N92 S93 V120 R146	N92-Q122 CarbonylContact C-O 3.53Å; N92-Q122 VanDerWaalsContact CA-O 3.23Å; N92-Q122 WeakPolarHBondContact CA-O 3.49Å; N92-Q122 PolarHBondContact OD1-N 3.36Å; S93-Q122 PolarHBondContact N-O 2.96Å; V120-Q122 PolarHBondContact O-N 3.41Å; Q122-R146 CarbonylContact C-O 3.53Å; Q122-R146 VanDerWaalsContact CA-O 3.24Å; Q122-R146 WeakPolarHBondContact CA-O 3.47Å; Q122-R146 HydrophobicContact CB-CG 3.57Å
123	A	98.6	Very high	98.5	Very high	0 Å²	0	10.7 Å²	10.7	0%	0	7%	0.07	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	101.7	164.6	0	0	0	0	0	108.5	I91 C119 S128 L131 R146 I147 M148	I91-A123 HydrophobicContact CG2-CB 4.15Å; C119-A123 HydrophobicContact CB-CB 4.39Å; C119-A123 VanDerWaalsContact SG-CB 3.51Å; C119-A123 PolarHBondContact SG-N 3.36Å; A123-S128 WeakPolarHBondContact O-CB 3.47Å; A123-L131 HydrophobicContact CB-CB 4.2Å; A123-L131 HydrophobicContact CB-CD2 3.71Å; A123-R146 PolarHBondContact N-O 2.87Å; A123-I147 VanDerWaalsContact O-CA 3.29Å; A123-I147 WeakPolarHBondContact O-CA 3.43Å; A123-M148 PolarHBondContact O-N 3.01Å
124	A	98.1	Very high	98.5	Very high	5 Å²	5	10.6 Å²	10.6	4%	0.041	7%	0.07	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	145.8	-175.3	0	0	0	0	0	111.2	S93 P94 G95 M126 G127 M148	S93-A124 PolarHBondContact O-N 3Å; P94-A124 CarbonylContact C-O 3.45Å; G95-A124 WeakPolarHBondContact CA-O 3.27Å; G95-A124 PolarHBondContact N-O 3.37Å; G95-A124 VanDerWaalsContact N-O 3.12Å; A124-M126 PolarHBondContact O-N 3.31Å; A124-G127 WeakPolarHBondContact O-CA 3.33Å; A124-G127 PolarHBondContact O-N 3.4Å; A124-M148 CarbonylContact C-O 3.54Å; A124-M148 WeakPolarHBondContact CA-O 3.43Å; A124-M148 HydrophobicContact CB-CB 3.84Å; A124-M148 HydrophobicContact CB-CE 4.05Å
125	S	97.8	Very high	98.5	Very high	21 Å²	21	11.4 Å²	11.4	15%	0.147	8%	0.075	C	C	.	.	T	Hydrogen-bonded Turn	trans	56.4	-118	175.3	178.7	0	0	0	0	111.5	G127 S128 L129 M148 H150 Y181	S125-G127 PolarHBondContact O-N 3.46Å; S125-S128 PolarHBondContact N-OG 3.46Å; S125-S128 PolarHBondContact O-N 3.01Å; S125-S128 PolarHBondContact O-OG 2.93Å; S125-L129 PolarHBondContact O-N 2.84Å; S125-M148 PolarHBondContact N-O 3.43Å; S125-H150 VanDerWaalsContact CB-NE2 3.28Å; S125-H150 WeakPolarHBondContact CB-NE2 3.3Å; S125-H150 PolarHBondContact OG-NE2 3.49Å; S125-Y181 PolarHBondContact O-OH 2.84Å
126	M	98.4	Very high	98.5	Very high	4 Å²	4	16.9 Å²	16.9	2%	0.02	11%	0.108	C	C	.	.	H	α-helix	trans	-62.5	-25.9	174.2	-71.1	-50.8	-65	0	0	113	I63 V98 G101 L102 A124 L129 L130	I63-M126 HydrophobicContact CD1-CB 3.87Å; V98-M126 HydrophobicContact CB-SD 4.46Å; V98-M126 HydrophobicContact CG1-SD 4.16Å; V98-M126 HydrophobicContact CG2-SD 4.41Å; G101-M126 VanDerWaalsContact C-CE 3.42Å; G101-M126 VanDerWaalsContact CA-CE 3.5Å; L102-M126 HydrophobicContact CD2-CE 4.46Å; L102-M126 HydrophobicContact CG-CE 4.3Å; A124-M126 PolarHBondContact O-N 3.31Å; M126-L129 HydrophobicContact CE-CD1 4.1Å; M126-L129 HydrophobicContact CE-CD2 4.06Å; M126-L129 HydrophobicContact CE-CG 4.46Å; M126-L129 PolarHBondContact O-N 3.19Å; M126-L129 HydrophobicContact SD-CD1 4.27Å; M126-L130 WeakPolarHBondContact O-CG 3.41Å; M126-L130 PolarHBondContact O-N 2.83Å
127	G	98.6	Very high	98.4	Very high	0 Å²	0	18.1 Å²	18.1	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-64.5	-42	174.4	0	0	0	0	0	113	A124 S125 L131	A124-G127 WeakPolarHBondContact O-CA 3.33Å; A124-G127 PolarHBondContact O-N 3.4Å; S125-G127 PolarHBondContact O-N 3.46Å; G127-L131 WeakPolarHBondContact O-CB 3.27Å; G127-L131 PolarHBondContact O-N 2.83Å
128	S	98.8	Very high	98.4	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-71.5	-30.7	176	48.8	0	0	0	0	112.6	A123 S125 L131 A132 M148 Y181	A123-S128 WeakPolarHBondContact O-CB 3.47Å; S125-S128 PolarHBondContact N-OG 3.46Å; S125-S128 PolarHBondContact O-N 3.01Å; S125-S128 PolarHBondContact O-OG 2.93Å; S128-L131 PolarHBondContact O-N 3.47Å; S128-A132 WeakPolarHBondContact O-CB 3.32Å; S128-A132 PolarHBondContact O-N 2.88Å; S128-M148 PolarHBondContact OG-O 2.82Å; S128-Y181 PolarHBondContact OG-OH 3.13Å
129	L	98.9	Very high	98.4	Very high	2 Å²	2	19 Å²	19	1%	0.01	13%	0.127	C	C	.	.	H	α-helix	trans	-64	-48.3	174.1	-174.8	151	0	0	0	110.3	Y105 S125 M126 L131 A132 A133 I177 I180 Y181	Y105-L129 HydrophobicContact CD2-CD2 3.62Å; Y105-L129 HydrophobicContact CE2-CD2 4.41Å; Y105-L129 HydrophobicContact CG-CD2 3.95Å; S125-L129 PolarHBondContact O-N 2.84Å; M126-L129 HydrophobicContact CE-CD1 4.1Å; M126-L129 HydrophobicContact CE-CD2 4.06Å; M126-L129 HydrophobicContact CE-CG 4.46Å; M126-L129 PolarHBondContact O-N 3.19Å; M126-L129 HydrophobicContact SD-CD1 4.27Å; L129-L131 VanDerWaalsContact C-N 3.31Å; L129-L131 PolarHBondContact O-N 3.12Å; L129-A132 PolarHBondContact O-N 3Å; L129-A133 VanDerWaalsContact O-CB 3.29Å; L129-A133 WeakPolarHBondContact O-CB 3.49Å; L129-A133 PolarHBondContact O-N 2.97Å; L129-I177 HydrophobicContact CD1-CG2 4.16Å; L129-I180 HydrophobicContact CD1-CB 4.47Å; L129-I180 HydrophobicContact CD1-CG2 4.03Å; L129-I180 HydrophobicContact CD2-CG2 4.21Å; L129-I180 HydrophobicContact CG-CG2 4.01Å; L129-Y181 WeakPolarHBondContact CA-OH 3.31Å; L129-Y181 HydrophobicContact CB-CE1 4.46Å; L129-Y181 HydrophobicContact CB-CE2 4.1Å; L129-Y181 HydrophobicContact CD1-CE2 4.06Å; L129-Y181 HydrophobicContact CG-CE2 4.38Å; L129-Y181 PolarHBondContact N-OH 3.42Å
130	L	98.9	Very high	98.4	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-63.8	-37.7	176.6	-65.2	179.3	0	0	0	111.9	I63 I91 I104 M108 M126 A133	I63-L130 HydrophobicContact CD1-CD1 3.75Å; I91-L130 HydrophobicContact CD1-CB 4.11Å; I104-L130 HydrophobicContact CB-CD1 4.32Å; I104-L130 HydrophobicContact CB-CD2 3.94Å; I104-L130 HydrophobicContact CD1-CD1 4.01Å; I104-L130 HydrophobicContact CG2-CD1 4.04Å; I104-L130 HydrophobicContact CG2-CD2 3.75Å; M108-L130 WeakPolarHBondContact CE-O 3.44Å; M108-L130 HydrophobicContact SD-CD2 3.81Å; M126-L130 WeakPolarHBondContact O-CG 3.41Å; M126-L130 PolarHBondContact O-N 2.83Å; L130-A133 PolarHBondContact O-N 3.07Å
131	L	98.9	Very high	98.4	Very high	0 Å²	0	18.2 Å²	18.2	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-58.8	-50.4	173.9	176.3	64.4	0	0	0	111.6	I91 T117 C119 A123 G127 S128 L129 A133 G134 I147 I213	I91-L131 HydrophobicContact CD1-CB 4.03Å; T117-L131 PolarHBondContact OG1-O 2.93Å; C119-L131 HydrophobicContact CB-CD1 3.91Å; C119-L131 HydrophobicContact CB-CD2 3.73Å; C119-L131 HydrophobicContact CB-CG 4.47Å; A123-L131 HydrophobicContact CB-CB 4.2Å; A123-L131 HydrophobicContact CB-CD2 3.71Å; G127-L131 WeakPolarHBondContact O-CB 3.27Å; G127-L131 PolarHBondContact O-N 2.83Å; S128-L131 PolarHBondContact O-N 3.47Å; L129-L131 VanDerWaalsContact C-N 3.31Å; L129-L131 PolarHBondContact O-N 3.12Å; L131-A133 VanDerWaalsContact C-N 3.25Å; L131-A133 PolarHBondContact O-N 2.75Å; L131-G134 PolarHBondContact O-N 3.25Å; L131-I147 HydrophobicContact CD2-CG1 3.85Å; L131-I213 HydrophobicContact CD1-CG2 3.93Å; L131-I213 HydrophobicContact CD2-CG2 3.57Å; L131-I213 HydrophobicContact CG-CG2 3.68Å
132	A	98.8	Very high	98.5	Very high	1 Å²	1	19.4 Å²	19.4	1%	0.008	12%	0.117	C	C	.	.	H	α-helix	trans	-67.6	-25.9	-178.6	0	0	0	0	0	113.3	S128 L129 G134 R139 H184 L212	S128-A132 WeakPolarHBondContact O-CB 3.32Å; S128-A132 PolarHBondContact O-N 2.88Å; L129-A132 PolarHBondContact O-N 3Å; A132-G134 VanDerWaalsContact C-N 3.27Å; A132-G134 PolarHBondContact O-N 3.26Å; A132-R139 WeakPolarHBondContact O-CD 3.29Å; A132-R139 PolarHBondContact O-NH1 3.21Å; A132-H184 HydrophobicContact CB-CB 4.31Å; A132-H184 WeakPolarHBondContact O-CB 3.07Å; A132-L212 WeakPolarHBondContact CA-O 3.34Å; A132-L212 HydrophobicContact CB-CD2 3.87Å
133	A	98.8	Very high	98.4	Very high	3 Å²	3	21 Å²	21	3%	0.025	13%	0.129	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.3	-0.8	-179	0	0	0	0	0	115	Y105 M108 Q109 L129 L130 L131	Y105-A133 HydrophobicContact CD2-CB 3.46Å; Y105-A133 VanDerWaalsContact CD2-CB 3.46Å; Y105-A133 HydrophobicContact CE2-CB 3.57Å; M108-A133 HydrophobicContact CE-CB 3.94Å; Q109-A133 PolarHBondContact NE2-O 3.01Å; L129-A133 VanDerWaalsContact O-CB 3.29Å; L129-A133 WeakPolarHBondContact O-CB 3.49Å; L129-A133 PolarHBondContact O-N 2.97Å; L130-A133 PolarHBondContact O-N 3.07Å; L131-A133 VanDerWaalsContact C-N 3.25Å; L131-A133 PolarHBondContact O-N 2.75Å
134	G	98.8	Very high	98.4	Very high	4 Å²	4	28.5 Å²	28.5	4%	0.041	17%	0.17	C	C	.	.	S	Bend	trans	-61.4	162.9	170.5	0	0	0	0	0	112.1	L131 A132 T136	L131-G134 PolarHBondContact O-N 3.25Å; A132-G134 VanDerWaalsContact C-N 3.27Å; A132-G134 PolarHBondContact O-N 3.26Å; G134-T136 PolarHBondContact O-N 3Å
135	T	98.8	Very high	98.4	Very high	54 Å²	54	28.5 Å²	28.5	33%	0.331	17%	0.17	S	C	.	.	P	Polyproline II helix	trans	-58.8	133.1	177.1	-59.5	0	0	0	0	110.4	P114 I115 G137 M138	P114-T135 WeakPolarHBondContact CA-OG1 3.48Å; P114-T135 HydrophobicContact CB-CG2 4.26Å; I115-T135 PolarHBondContact N-OG1 2.99Å; I115-T135 PolarHBondContact O-N 2.74Å; I115-T135 PolarHBondContact O-OG1 3.48Å; T135-G137 PolarHBondContact O-N 3.06Å; T135-M138 HydrophobicContact CG2-CG 4.47Å; T135-M138 HydrophobicContact CG2-SD 4.02Å; T135-M138 WeakPolarHBondContact O-CA 3.45Å; T135-M138 WeakPolarHBondContact O-CB 3.41Å; T135-M138 PolarHBondContact O-N 3.47Å
136	T	98.1	Very high	98.4	Very high	118 Å²	118	30.4 Å²	30.4	72%	0.724	17%	0.173	S	C	*	.	T	Hydrogen-bonded Turn	trans	-52	129.9	178.9	-51.6	0	0	0	0	111.6	G134 M138	G134-T136 PolarHBondContact O-N 3Å; T136-M138 VanDerWaalsContact C-N 3.3Å
137	G	97.4	Very high	98.4	Very high	28 Å²	28	30.2 Å²	30.2	29%	0.289	17%	0.172	S	C	.	.	T	Hydrogen-bonded Turn	trans	88.1	-10.3	-175.4	0	0	0	0	0	114.4	T135 D214	T135-G137 PolarHBondContact O-N 3.06Å; G137-D214 VanDerWaalsContact C-OD2 3.3Å; G137-D214 VanDerWaalsContact CA-CG 3.48Å; G137-D214 VanDerWaalsContact CA-OD2 3.22Å; G137-D214 WeakPolarHBondContact CA-OD2 3.27Å; G137-D214 PolarHBondContact N-OD2 3.11Å
138	M	98.4	Very high	98.4	Very high	48 Å²	48	30.9 Å²	30.9	24%	0.236	18%	0.176	C	C	.	.			trans	-117.5	19.7	-176.6	-53.8	-178.3	71.9	0	0	113.2	P86 P114 S116 T117 T135 T136 H140 D214	P86-M138 HydrophobicContact CB-CE 4.21Å; P114-M138 HydrophobicContact CB-SD 3.9Å; S116-M138 CarbonylContact C-O 3.56Å; S116-M138 VanDerWaalsContact CA-O 3.23Å; S116-M138 WeakPolarHBondContact CA-O 3.4Å; S116-M138 PolarHBondContact OG-O 3.38Å; T117-M138 PolarHBondContact N-O 2.73Å; T135-M138 HydrophobicContact CG2-CG 4.47Å; T135-M138 HydrophobicContact CG2-SD 4.02Å; T135-M138 WeakPolarHBondContact O-CA 3.45Å; T135-M138 WeakPolarHBondContact O-CB 3.41Å; T135-M138 PolarHBondContact O-N 3.47Å; T136-M138 VanDerWaalsContact C-N 3.3Å; M138-H140 PolarHBondContact O-CD2 2.9Å; M138-H140 VanDerWaalsContact O-CD2 3.22Å; M138-H140 PolarHBondContact O-NE2 3.43Å; M138-D214 PolarHBondContact N-OD2 3.02Å
139	R	98.8	Very high	98.4	Very high	13 Å²	13	31 Å²	31	5%	0.049	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	120.4	178	-52.4	171.1	-62.2	166.1	7.6	109.7	T117 A132 H184 G211 I213 D214 R215	T117-R139 WeakPolarHBondContact OG1-CA 3.39Å; A132-R139 WeakPolarHBondContact O-CD 3.29Å; A132-R139 PolarHBondContact O-NH1 3.21Å; R139-H184 PolarHBondContact NH1-O 3.49Å; R139-G211 PolarHBondContact NH1-O 3.16Å; R139-G211 PolarHBondContact NH2-O 3.04Å; R139-G211 VanDerWaalsContact NH2-O 3.08Å; R139-I213 HydrophobicContact CB-CB 4.31Å; R139-I213 HydrophobicContact CB-CG2 4.45Å; R139-D214 WeakPolarHBondContact CB-OD2 3.32Å; R139-D214 VanDerWaalsContact CG-OD2 3.31Å; R139-D214 WeakPolarHBondContact CG-OD2 3.42Å; R139-D214 IonicContact CZ-OD1 3.79Å; R139-D214 IonicContact CZ-OD2 3.1Å; R139-D214 PolarHBondContact N-OD2 3.29Å; R139-D214 IonicContact NE-OD1 3.24Å; R139-D214 PolarHBondContact NE-OD1 2.93Å; R139-D214 IonicContact NE-OD2 2.91Å; R139-D214 PolarHBondContact NE-OD2 3.3Å; R139-D214 IonicContact NH2-OD1 3.86Å; R139-D214 PolarHBondContact NH2-OD1 2.88Å; R139-D214 IonicContact NH2-OD2 2.66Å; R139-D214 PolarHBondContact O-N 3.46Å; R139-R215 PolarHBondContact O-N 3.27Å; R139-R215 VanDerWaalsContact O-N 3.09Å
140	H	98.6	Very high	98.3	Very high	14 Å²	14	32.7 Å²	32.7	7%	0.065	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	152.7	-164.7	-56.4	-53.6	0	0	0	112.3	S116 T117 W118 C119 M138 R215 L217	S116-H140 PolarHBondContact OG-CD2 2.71Å; S116-H140 PolarHBondContact OG-NE2 2.95Å; T117-H140 WeakPolarHBondContact O-CA 3.42Å; T117-H140 VanDerWaalsContact O-CB 3.27Å; T117-H140 WeakPolarHBondContact O-CB 3.4Å; T117-H140 PolarHBondContact O-N 3.06Å; W118-H140 HydrophobicContact CD2-CB 3.93Å; W118-H140 AromaticContact CD2-CD2 3.8Å; W118-H140 AromaticContact CE2-CD2 3.4Å; W118-H140 HydrophobicContact CE3-CB 3.68Å; W118-H140 HydrophobicContact CG-CB 4.44Å; W118-H140 AromaticContact CH2-CD2 3.67Å; W118-H140 AromaticContact CZ2-CD2 3.33Å; W118-H140 WeakPolarHBondContact CZ2-CD2 3.29Å; W118-H140 AromaticContact CZ2-NE2 3.82Å; W118-H140 HydrophobicContact CZ3-CB 4.01Å; W118-H140 AromaticContact NE1-CD2 3.85Å; C119-H140 PolarHBondContact N-O 3.3Å; M138-H140 PolarHBondContact O-CD2 2.9Å; M138-H140 VanDerWaalsContact O-CD2 3.22Å; M138-H140 PolarHBondContact O-NE2 3.43Å; H140-R215 WeakPolarHBondContact CA-O 3.09Å; H140-L217 HydrophobicContact CB-CD1 3.47Å; H140-L217 VanDerWaalsContact CB-CD1 3.47Å
141	S	98.6	Very high	98.2	Very high	1 Å²	1	34.8 Å²	34.8	1%	0.007	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	150.2	170.6	-171	0	0	0	0	111.1	A145 R215 V216 L217	S141-A145 WeakPolarHBondContact OG-CB 3.43Å; S141-R215 PolarHBondContact N-O 3.3Å; S141-V216 VanDerWaalsContact O-CA 3.31Å; S141-V216 WeakPolarHBondContact O-CA 3.32Å; S141-L217 PolarHBondContact O-N 2.87Å
142	L	98	Very high	98.1	Very high	70 Å²	70	35.4 Å²	35.4	37%	0.366	20%	0.198	S	C	.	.			trans	-83.9	157	169.3	-63.9	-173.4	0	0	0	111.1	C119 V120 N144 A145 P204	C119-L142 PolarHBondContact O-N 2.83Å; C119-L142 VanDerWaalsContact O-N 3.08Å; V120-L142 HydrophobicContact CB-CD1 4.26Å; V120-L142 HydrophobicContact CG1-CD1 3.64Å; V120-L142 HydrophobicContact CG1-CG 4.01Å; L142-N144 VanDerWaalsContact C-N 3.27Å; L142-N144 PolarHBondContact O-N 3.48Å; L142-N144 VanDerWaalsContact O-N 3.13Å; L142-A145 WeakPolarHBondContact O-CB 3.26Å; L142-A145 PolarHBondContact O-N 2.55Å; L142-P204 WeakPolarHBondContact O-CG 3.47Å
143	P	97.5	Very high	97.6	Very high	54 Å²	54	40.4 Å²	40.4	35%	0.351	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.4	-27.2	-164.5	-23.8	37	0	0	0	114.5	P204 V216 L217 V218 V231	P143-P204 WeakPolarHBondContact O-CG 3.46Å; P143-V216 HydrophobicContact CB-CG1 4.41Å; P143-V216 HydrophobicContact CG-CG1 4.37Å; P143-L217 WeakPolarHBondContact CD-O 3.38Å; P143-L217 WeakPolarHBondContact CG-O 3.33Å; P143-V218 HydrophobicContact CG-CG2 4.34Å; P143-V231 HydrophobicContact CB-CG2 3.98Å; P143-V231 HydrophobicContact CG-CG2 3.81Å
144	N	97.4	Very high	97.3	Very high	159 Å²	159	43.3 Å²	43.3	85%	0.85	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.9	6.2	-179	-62.1	-54.7	0	0	0	113.4	L142	L142-N144 VanDerWaalsContact C-N 3.27Å; L142-N144 PolarHBondContact O-N 3.48Å; L142-N144 VanDerWaalsContact O-N 3.13Å
145	A	97.8	Very high	96.8	Very high	5 Å²	5	46.7 Å²	46.7	4%	0.041	30%	0.298	C	S	.	.			trans	-71.3	158.9	176.2	0	0	0	0	0	110.8	C119 G121 S141 L142 P204	C119-A145 HydrophobicContact CB-CB 4.47Å; G121-A145 CarbonylContact O-C 3.58Å; G121-A145 VanDerWaalsContact O-CA 3.25Å; G121-A145 WeakPolarHBondContact O-CA 3.18Å; S141-A145 WeakPolarHBondContact OG-CB 3.43Å; L142-A145 WeakPolarHBondContact O-CB 3.26Å; L142-A145 PolarHBondContact O-N 2.55Å; A145-P204 HydrophobicContact CB-CG 4.42Å; A145-P204 WeakPolarHBondContact O-CD 3.4Å; A145-P204 WeakPolarHBondContact O-CG 3.32Å
146	R	97.8	Very high	96.5	Very high	60 Å²	60	46.3 Å²	46.3	23%	0.226	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	137.5	174.5	68.8	-177.8	-172.4	178.3	1	111.3	F20 H21 G121 Q122 A123	F20-R146 PolarHBondContact O-NH2 2.95Å; H21-R146 PolarHBondContact CD2-NH1 3.25Å; G121-R146 PolarHBondContact O-N 2.93Å; Q122-R146 CarbonylContact C-O 3.53Å; Q122-R146 VanDerWaalsContact CA-O 3.24Å; Q122-R146 WeakPolarHBondContact CA-O 3.47Å; Q122-R146 HydrophobicContact CB-CG 3.57Å; A123-R146 PolarHBondContact N-O 2.87Å
147	I	98.8	Very high	96	Very high	0 Å²	0	52 Å²	52	0%	0	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	137.7	175	-60.7	88.7	0	0	0	108.4	A123 L131 Y201 M202 A207 L212	A123-I147 VanDerWaalsContact O-CA 3.29Å; A123-I147 WeakPolarHBondContact O-CA 3.43Å; L131-I147 HydrophobicContact CD2-CG1 3.85Å; I147-Y201 CarbonylContact O-C 3.5Å; I147-Y201 WeakPolarHBondContact O-CA 3.39Å; I147-M202 PolarHBondContact N-O 2.78Å; I147-M202 PolarHBondContact O-N 3.34Å; I147-A207 HydrophobicContact CB-CB 4.09Å; I147-A207 HydrophobicContact CD1-CB 3.71Å; I147-A207 HydrophobicContact CG1-CB 4.01Å; I147-A207 HydrophobicContact CG2-CB 4.47Å; I147-L212 HydrophobicContact CG2-CD1 3.87Å
148	M	98.6	Very high	95.9	Very high	15 Å²	15	52.9 Å²	52.9	7%	0.074	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	128.4	178.7	-171.4	-76.9	-75.8	0	0	111.6	A123 A124 S125 S128 H150 D199 R200 Y201	A123-M148 PolarHBondContact O-N 3.01Å; A124-M148 CarbonylContact C-O 3.54Å; A124-M148 WeakPolarHBondContact CA-O 3.43Å; A124-M148 HydrophobicContact CB-CB 3.84Å; A124-M148 HydrophobicContact CB-CE 4.05Å; S125-M148 PolarHBondContact N-O 3.43Å; S128-M148 PolarHBondContact OG-O 2.82Å; M148-H150 HydrophobicContact SD-CB 3.94Å; M148-D199 HydrophobicContact SD-CB 4.27Å; M148-R200 VanDerWaalsContact CA-O 3.27Å; M148-R200 WeakPolarHBondContact CA-O 3.31Å; M148-Y201 HydrophobicContact CB-CD1 3.69Å; M148-Y201 HydrophobicContact CB-CE1 3.76Å; M148-Y201 HydrophobicContact CB-CG 4.33Å; M148-Y201 HydrophobicContact CG-CD1 3.63Å; M148-Y201 HydrophobicContact CG-CD2 4.12Å; M148-Y201 HydrophobicContact CG-CE1 3.49Å; M148-Y201 VanDerWaalsContact CG-CE1 3.49Å; M148-Y201 HydrophobicContact CG-CE2 4Å; M148-Y201 HydrophobicContact CG-CG 3.95Å
149	V	98.5	Very high	95.9	Very high	2 Å²	2	57.5 Å²	57.5	1%	0.012	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	146.1	174.5	-60	0	0	0	0	110.7	Y181 V195 M196 R200 M202 L212	V149-Y181 HydrophobicContact CG1-CE1 3.77Å; V149-V195 HydrophobicContact CG2-CG1 3.79Å; V149-M196 HydrophobicContact CB-CG 4.23Å; V149-M196 HydrophobicContact CG2-CG 4.16Å; V149-R200 HydrophobicContact CG2-CB 4.06Å; V149-R200 PolarHBondContact N-O 2.9Å; V149-R200 PolarHBondContact O-N 3.27Å; V149-M202 HydrophobicContact CG2-CE 4.14Å; V149-L212 HydrophobicContact CG1-CD1 4.18Å; V149-L212 HydrophobicContact CG1-CD2 4.4Å
150	H	98.1	Very high	95.7	Very high	38 Å²	38	60.9 Å²	60.9	18%	0.176	37%	0.37	C	S	.	.			trans	-162.5	163.5	176.2	75.1	149.5	0	0	0	110	S125 M148 M196 D199	S125-H150 VanDerWaalsContact CB-NE2 3.28Å; S125-H150 WeakPolarHBondContact CB-NE2 3.3Å; S125-H150 PolarHBondContact OG-NE2 3.49Å; M148-H150 HydrophobicContact SD-CB 3.94Å; H150-M196 CarbonylContact C-O 3.55Å; H150-M196 WeakPolarHBondContact CA-O 3.49Å; H150-M196 WeakPolarHBondContact O-CE 3.36Å; H150-D199 IonicContact ND1-OD1 3.62Å
151	Q	96.3	Very high	95.7	Very high	43 Å²	43	64.9 Å²	64.9	20%	0.201	40%	0.396	C	S	.	.			trans	-65.7	154.4	174.1	66.2	-179.2	-51.6	0	0	111.8	K174 M196 E197	Q151-K174 HydrophobicContact CB-CD 4.37Å; Q151-M196 PolarHBondContact N-O 3.13Å; Q151-E197 PolarHBondContact NE2-O 3.23Å; Q151-E197 PolarHBondContact NE2-OE1 2.83Å
152	P	95.5	Very high	95.6	Very high	14 Å²	14	67.7 Å²	67.7	9%	0.091	41%	0.411	C	S	.	.			trans	-61.8	145.4	173.9	27.6	-35.9	0	0	0	111.1	V98 K174 I177	V98-P152 HydrophobicContact CG2-CB 4.37Å; P152-K174 HydrophobicContact CG-CB 3.89Å; P152-I177 HydrophobicContact CB-CD1 3.93Å; P152-I177 HydrophobicContact CG-CD1 3.95Å
153	S	90.1	Very high	95.6	Very high	105 Å²	105	67.9 Å²	67.9	73%	0.734	41%	0.411	S	S	*	.			trans	-116.5	142.2	175.8	64.4	0	0	0	0	110.8
154	G	90.8	Very high	95.5	Very high	64 Å²	64	68.1 Å²	68.1	66%	0.66	42%	0.418	S	S	*	.			trans	-157.7	-173.8	176.8	0	0	0	0	0	111.4
155	G	89.3	Confident	95.6	Very high	76 Å²	76	65.4 Å²	65.4	78%	0.784	40%	0.402	S	S	*	.			trans	-154.2	149.5	176.5	0	0	0	0	0	111.1
156	A	92.3	Very high	95.5	Very high	46 Å²	46	69.2 Å²	69.2	38%	0.38	42%	0.419	S	S	.	.			trans	-127.1	145.5	-179.6	0	0	0	0	0	110.9	I163 Q166	A156-I163 HydrophobicContact CB-CG1 4.43Å; A156-I163 HydrophobicContact CB-CG2 4.47Å; A156-Q166 HydrophobicContact CB-CB 3.7Å; A156-Q166 HydrophobicContact CB-CG 4.33Å
157	R	88.3	Confident	95.5	Very high	236 Å²	236	68.5 Å²	68.5	89%	0.891	43%	0.426	S	S	*	.			trans	-148.5	137.5	173.7	-174.5	-179.5	-178.7	-171.7	0.2	108.6
158	G	95.6	Very high	95.5	Very high	48 Å²	48	73.4 Å²	73.4	50%	0.495	45%	0.449	S	S	.	.	S	Bend	trans	152.4	-156.3	-178.7	0	0	0	0	0	111.8
159	Q	96.8	Very high	95.5	Very high	144 Å²	144	77.8 Å²	77.8	67%	0.673	47%	0.469	S	S	*	.	S	Bend	trans	-66.5	160.6	172.5	-56.9	-174	-86.1	0	0	110.2	T161 D162 I163	Q159-T161 PolarHBondContact O-N 3.37Å; Q159-D162 WeakPolarHBondContact CB-OD2 3.28Å; Q159-D162 PolarHBondContact N-OD2 2.85Å; Q159-D162 VanDerWaalsContact N-OD2 3.08Å; Q159-D162 PolarHBondContact O-N 2.94Å; Q159-I163 WeakPolarHBondContact O-CG1 3.44Å; Q159-I163 PolarHBondContact O-N 3.4Å
160	A	95.6	Very high	95.4	Very high	84 Å²	84	80.3 Å²	80.3	69%	0.694	48%	0.482	S	S	*	.	H	α-helix	trans	-54.2	-39.9	179.1	0	0	0	0	0	112.2	I163 A164	A160-I163 PolarHBondContact O-N 3.4Å; A160-A164 PolarHBondContact O-N 3.22Å
161	T	97.8	Very high	95.4	Very high	98 Å²	98	83 Å²	83	60%	0.601	50%	0.497	S	S	*	.	H	α-helix	trans	-62.6	-44.4	175.8	-49.2	0	0	0	0	112.3	Q159 I163 A164 I165	Q159-T161 PolarHBondContact O-N 3.37Å; T161-I163 VanDerWaalsContact C-N 3.33Å; T161-I163 PolarHBondContact O-N 2.72Å; T161-A164 PolarHBondContact O-N 3.36Å; T161-I165 HydrophobicContact CG2-CD1 4.13Å; T161-I165 WeakPolarHBondContact O-CG1 3.5Å; T161-I165 PolarHBondContact O-N 3.46Å
162	D	96.8	Very high	95.5	Very high	60 Å²	60	85.1 Å²	85.1	32%	0.321	51%	0.506	S	S	.	.	H	α-helix	trans	-64.6	-39.4	179.3	-55.5	-38.5	0	0	0	111.6	Q159 A164 I165 Q166	Q159-D162 WeakPolarHBondContact CB-OD2 3.28Å; Q159-D162 PolarHBondContact N-OD2 2.85Å; Q159-D162 VanDerWaalsContact N-OD2 3.08Å; Q159-D162 PolarHBondContact O-N 2.94Å; D162-A164 VanDerWaalsContact C-N 3.35Å; D162-I165 PolarHBondContact O-N 2.87Å; D162-Q166 WeakPolarHBondContact O-CG 3.49Å; D162-Q166 PolarHBondContact O-N 3.3Å
163	I	97.3	Very high	95.6	Very high	75 Å²	75	86 Å²	86	39%	0.385	51%	0.509	S	S	.	.	H	α-helix	trans	-63.1	-43.9	176	-66.3	170.8	0	0	0	110.1	A156 Q159 A160 T161 Q166 A167	A156-I163 HydrophobicContact CB-CG1 4.43Å; A156-I163 HydrophobicContact CB-CG2 4.47Å; Q159-I163 WeakPolarHBondContact O-CG1 3.44Å; Q159-I163 PolarHBondContact O-N 3.4Å; A160-I163 PolarHBondContact O-N 3.4Å; T161-I163 VanDerWaalsContact C-N 3.33Å; T161-I163 PolarHBondContact O-N 2.72Å; I163-Q166 PolarHBondContact O-N 2.89Å; I163-A167 VanDerWaalsContact O-CB 3.32Å; I163-A167 WeakPolarHBondContact O-CB 3.13Å; I163-A167 PolarHBondContact O-N 3Å
164	A	96.9	Very high	96	Very high	59 Å²	59	82.8 Å²	82.8	49%	0.488	48%	0.482	S	S	.	.	H	α-helix	trans	-62.3	-43.1	177.7	0	0	0	0	0	112	A160 T161 D162 Q166 A167 E168	A160-A164 PolarHBondContact O-N 3.22Å; T161-A164 PolarHBondContact O-N 3.36Å; D162-A164 VanDerWaalsContact C-N 3.35Å; A164-Q166 PolarHBondContact O-N 3.33Å; A164-A167 PolarHBondContact O-N 3.44Å; A164-E168 PolarHBondContact O-N 3.39Å
165	I	97.9	Very high	96.3	Very high	102 Å²	102	85.9 Å²	85.9	52%	0.523	47%	0.474	S	S	.	.	H	α-helix	trans	-59.6	-47.7	176.5	-69.3	165.8	0	0	0	110.8	T161 D162 A167 E168 E169	T161-I165 HydrophobicContact CG2-CD1 4.13Å; T161-I165 WeakPolarHBondContact O-CG1 3.5Å; T161-I165 PolarHBondContact O-N 3.46Å; D162-I165 PolarHBondContact O-N 2.87Å; I165-A167 PolarHBondContact O-N 3.1Å; I165-E168 PolarHBondContact O-N 3.19Å; I165-E169 PolarHBondContact O-N 3.16Å
166	Q	97.6	Very high	96.8	Very high	84 Å²	84	86.5 Å²	86.5	39%	0.393	46%	0.457	S	S	.	.	H	α-helix	trans	-69.2	-34	-179.4	-69.3	176.6	36.8	0	0	112.5	A156 D162 I163 A164 E169 I170	A156-Q166 HydrophobicContact CB-CB 3.7Å; A156-Q166 HydrophobicContact CB-CG 4.33Å; D162-Q166 WeakPolarHBondContact O-CG 3.49Å; D162-Q166 PolarHBondContact O-N 3.3Å; I163-Q166 PolarHBondContact O-N 2.89Å; A164-Q166 PolarHBondContact O-N 3.33Å; Q166-E169 PolarHBondContact O-N 2.76Å; Q166-I170 PolarHBondContact O-N 2.76Å; Q166-I170 VanDerWaalsContact O-N 3.09Å
167	A	97.3	Very high	97.1	Very high	45 Å²	45	84.7 Å²	84.7	37%	0.372	44%	0.44	S	S	.	.	H	α-helix	trans	-65.6	-40.2	173.6	0	0	0	0	0	111.8	I163 A164 I165 E169 I170 L171	I163-A167 VanDerWaalsContact O-CB 3.32Å; I163-A167 WeakPolarHBondContact O-CB 3.13Å; I163-A167 PolarHBondContact O-N 3Å; A164-A167 PolarHBondContact O-N 3.44Å; I165-A167 PolarHBondContact O-N 3.1Å; A167-E169 VanDerWaalsContact C-N 3.34Å; A167-I170 VanDerWaalsContact O-CG2 3.32Å; A167-I170 WeakPolarHBondContact O-CG2 3.43Å; A167-L171 VanDerWaalsContact O-CG 3.27Å; A167-L171 WeakPolarHBondContact O-CG 3.42Å; A167-L171 PolarHBondContact O-N 3.08Å
168	E	98	Very high	97.6	Very high	103 Å²	103	73.5 Å²	73.5	48%	0.481	40%	0.398	S	S	.	.	H	α-helix	trans	-63.5	-42.2	174.7	-167.7	-170.4	151.2	0	0	111.5	A164 I165 L171 K172	A164-E168 PolarHBondContact O-N 3.39Å; I165-E168 PolarHBondContact O-N 3.19Å; E168-L171 PolarHBondContact O-N 3.35Å; E168-K172 PolarHBondContact O-N 2.85Å; E168-K172 WeakPolarHBondContact OE1-CE 3.42Å; E168-K172 IonicContact OE1-NZ 2.71Å; E168-K172 PolarHBondContact OE1-NZ 3.24Å
169	E	98.1	Very high	97.7	Very high	107 Å²	107	75.3 Å²	75.3	50%	0.5	40%	0.397	S	S	.	.	H	α-helix	trans	-64.2	-46	-179.3	-178.6	56.7	-164	0	0	112.6	I165 Q166 A167 L171 K172 L173	I165-E169 PolarHBondContact O-N 3.16Å; Q166-E169 PolarHBondContact O-N 2.76Å; A167-E169 VanDerWaalsContact C-N 3.34Å; E169-L171 PolarHBondContact O-N 2.96Å; E169-K172 WeakPolarHBondContact O-CB 3.44Å; E169-K172 PolarHBondContact O-N 3.2Å; E169-K172 VanDerWaalsContact O-N 3.11Å; E169-L173 PolarHBondContact O-N 3.27Å
170	I	97.5	Very high	97.8	Very high	55 Å²	55	69.3 Å²	69.3	28%	0.282	37%	0.369	S	S	.	.	H	α-helix	trans	-65.6	-29.8	178	-165.1	170.2	0	0	0	112.2	Q166 A167 L173 K174	Q166-I170 PolarHBondContact O-N 2.76Å; Q166-I170 VanDerWaalsContact O-N 3.09Å; A167-I170 VanDerWaalsContact O-CG2 3.32Å; A167-I170 WeakPolarHBondContact O-CG2 3.43Å; I170-L173 PolarHBondContact O-N 3.36Å; I170-K174 WeakPolarHBondContact O-CB 3.38Å; I170-K174 PolarHBondContact O-N 3.22Å
171	L	97.8	Very high	98	Very high	94 Å²	94	65.5 Å²	65.5	49%	0.492	34%	0.337	S	S	.	.	H	α-helix	trans	-69.6	-37.5	172.9	-70.3	172.2	0	0	0	112.1	A167 E168 E169 R175	A167-L171 VanDerWaalsContact O-CG 3.27Å; A167-L171 WeakPolarHBondContact O-CG 3.42Å; A167-L171 PolarHBondContact O-N 3.08Å; E168-L171 PolarHBondContact O-N 3.35Å; E169-L171 PolarHBondContact O-N 2.96Å; L171-R175 PolarHBondContact O-N 2.88Å; L171-R175 VanDerWaalsContact O-N 3.16Å
172	K	98.2	Very high	98	Very high	89 Å²	89	61.7 Å²	61.7	39%	0.387	32%	0.315	S	S	.	.	H	α-helix	trans	-62.3	-46.4	171.2	-72.2	172.2	-176.9	163.4	0	110.7	E168 E169 K174 R175 Q176	E168-K172 PolarHBondContact O-N 2.85Å; E168-K172 WeakPolarHBondContact OE1-CE 3.42Å; E168-K172 IonicContact OE1-NZ 2.71Å; E168-K172 PolarHBondContact OE1-NZ 3.24Å; E169-K172 WeakPolarHBondContact O-CB 3.44Å; E169-K172 PolarHBondContact O-N 3.2Å; E169-K172 VanDerWaalsContact O-N 3.11Å; K172-K174 PolarHBondContact O-N 3.46Å; K172-R175 PolarHBondContact O-N 2.88Å; K172-Q176 PolarHBondContact O-N 3.26Å
173	L	97.8	Very high	98.1	Very high	31 Å²	31	65.1 Å²	65.1	16%	0.162	33%	0.327	C	S	.	.	H	α-helix	trans	-62.4	-41.4	178.8	-168.6	60	0	0	0	112.3	V98 L102 E169 I170 R175 Q176 I177	V98-L173 HydrophobicContact CB-CD2 4.16Å; V98-L173 HydrophobicContact CG1-CD1 3.78Å; V98-L173 HydrophobicContact CG1-CD2 3.79Å; V98-L173 HydrophobicContact CG1-CG 3.98Å; V98-L173 HydrophobicContact CG2-CD2 4.44Å; L102-L173 HydrophobicContact CD1-CD1 3.88Å; E169-L173 PolarHBondContact O-N 3.27Å; I170-L173 PolarHBondContact O-N 3.36Å; L173-R175 PolarHBondContact O-N 2.9Å; L173-Q176 PolarHBondContact O-N 3.24Å; L173-I177 HydrophobicContact CG-CD1 4.18Å; L173-I177 WeakPolarHBondContact O-CG1 3.49Å; L173-I177 PolarHBondContact O-N 2.97Å
174	K	98.1	Very high	98.2	Very high	38 Å²	38	62.8 Å²	62.8	17%	0.165	31%	0.314	C	S	.	.	H	α-helix	trans	-55.8	-50.6	172.8	178.3	174.9	179.1	169.2	0	111.2	Q151 P152 I170 K172 Q176 I177 N178 E197	Q151-K174 HydrophobicContact CB-CD 4.37Å; P152-K174 HydrophobicContact CG-CB 3.89Å; I170-K174 WeakPolarHBondContact O-CB 3.38Å; I170-K174 PolarHBondContact O-N 3.22Å; K172-K174 PolarHBondContact O-N 3.46Å; K174-Q176 PolarHBondContact O-N 3.46Å; K174-I177 PolarHBondContact O-N 3.39Å; K174-N178 PolarHBondContact O-N 3.39Å; K174-N178 PolarHBondContact O-OD1 2.91Å; K174-E197 IonicContact NZ-OE1 3.8Å; K174-E197 IonicContact NZ-OE2 2.72Å; K174-E197 PolarHBondContact NZ-OE2 3.35Å
175	R	98.3	Very high	98.3	Very high	129 Å²	129	60.7 Å²	60.7	49%	0.487	30%	0.296	S	S	.	.	H	α-helix	trans	-61	-44	177.7	-72.5	-172.8	-66.7	-107	-0.3	112.2	L171 K172 L173 I177 N178 N179	L171-R175 PolarHBondContact O-N 2.88Å; L171-R175 VanDerWaalsContact O-N 3.16Å; K172-R175 PolarHBondContact O-N 2.88Å; L173-R175 PolarHBondContact O-N 2.9Å; R175-I177 PolarHBondContact O-N 3.25Å; R175-N178 PolarHBondContact O-N 2.89Å; R175-N179 VanDerWaalsContact O-CG 3.3Å; R175-N179 PolarHBondContact O-N 3.49Å; R175-N179 PolarHBondContact O-ND2 3.2Å
176	Q	98.6	Very high	98.3	Very high	90 Å²	90	59.2 Å²	59.2	42%	0.421	31%	0.305	S	S	.	.	H	α-helix	trans	-59.6	-47.5	178.3	-179.8	176.6	-18.9	0	0	111.8	K172 L173 K174 N179 I180	K172-Q176 PolarHBondContact O-N 3.26Å; L173-Q176 PolarHBondContact O-N 3.24Å; K174-Q176 PolarHBondContact O-N 3.46Å; Q176-N179 PolarHBondContact O-N 2.98Å; Q176-I180 HydrophobicContact CG-CD1 4.29Å; Q176-I180 WeakPolarHBondContact O-CG1 3.33Å; Q176-I180 PolarHBondContact O-N 3.03Å; Q176-I180 VanDerWaalsContact O-N 3.09Å
177	I	98.4	Very high	98.3	Very high	7 Å²	7	57.8 Å²	57.8	4%	0.036	30%	0.299	C	S	.	.	H	α-helix	trans	-62.3	-45.3	178.1	-71	170.4	0	0	0	111.1	V98 L129 P152 L173 K174 R175 N179 I180 Y181 M196	V98-I177 HydrophobicContact CG1-CD1 3.8Å; L129-I177 HydrophobicContact CD1-CG2 4.16Å; P152-I177 HydrophobicContact CB-CD1 3.93Å; P152-I177 HydrophobicContact CG-CD1 3.95Å; L173-I177 HydrophobicContact CG-CD1 4.18Å; L173-I177 WeakPolarHBondContact O-CG1 3.49Å; L173-I177 PolarHBondContact O-N 2.97Å; K174-I177 PolarHBondContact O-N 3.39Å; R175-I177 PolarHBondContact O-N 3.25Å; I177-N179 VanDerWaalsContact C-N 3.3Å; I177-N179 PolarHBondContact O-N 3.42Å; I177-I180 WeakPolarHBondContact O-CB 3.45Å; I177-I180 PolarHBondContact O-N 3.33Å; I177-I180 VanDerWaalsContact O-N 3.1Å; I177-Y181 HydrophobicContact CG2-CD2 3.76Å; I177-Y181 HydrophobicContact CG2-CE2 3.73Å; I177-Y181 WeakPolarHBondContact O-CD2 3.48Å; I177-Y181 PolarHBondContact O-N 3.05Å; I177-M196 HydrophobicContact CG2-CE 3.73Å
178	N	98.7	Very high	98.4	Very high	1 Å²	1	59.1 Å²	59.1	1%	0.005	30%	0.303	C	S	.	.	H	α-helix	trans	-61.5	-40.2	179.4	-68.6	-2.1	0	0	0	111.5	K174 R175 I180 Y181 A182 L189 I192 E193 M196	K174-N178 PolarHBondContact O-N 3.39Å; K174-N178 PolarHBondContact O-OD1 2.91Å; R175-N178 PolarHBondContact O-N 2.89Å; N178-I180 VanDerWaalsContact C-N 3.33Å; N178-I180 PolarHBondContact O-N 3.39Å; N178-Y181 PolarHBondContact O-N 3Å; N178-A182 WeakPolarHBondContact O-CB 3.46Å; N178-A182 PolarHBondContact O-N 2.88Å; N178-L189 HydrophobicContact CB-CD1 3.81Å; N178-I192 HydrophobicContact CB-CG2 3.87Å; N178-E193 WeakPolarHBondContact ND2-CG 3.35Å; N178-M196 PolarHBondContact OD1-SD 3.21Å; N178-M196 VanDerWaalsContact OD1-SD 3.36Å
179	N	98.8	Very high	98.4	Very high	87 Å²	87	57 Å²	57	47%	0.465	30%	0.295	S	S	.	.	H	α-helix	trans	-62.8	-37.6	174.4	-73.9	-33.1	0	0	0	112.6	R175 Q176 I177 A182 K183	R175-N179 VanDerWaalsContact O-CG 3.3Å; R175-N179 PolarHBondContact O-N 3.49Å; R175-N179 PolarHBondContact O-ND2 3.2Å; Q176-N179 PolarHBondContact O-N 2.98Å; I177-N179 VanDerWaalsContact C-N 3.3Å; I177-N179 PolarHBondContact O-N 3.42Å; N179-A182 PolarHBondContact O-N 3.35Å; N179-K183 WeakPolarHBondContact O-CB 3.42Å; N179-K183 PolarHBondContact O-N 3.22Å
180	I	98.9	Very high	98.4	Very high	17 Å²	17	58 Å²	58	9%	0.087	30%	0.304	C	S	.	.	H	α-helix	trans	-64.6	-45.9	175.6	-68.2	166.6	0	0	0	110.4	L102 Y105 L129 Q176 I177 N178 K183 H184	L102-I180 HydrophobicContact CD2-CD1 3.67Å; Y105-I180 HydrophobicContact CD1-CD1 4.29Å; Y105-I180 HydrophobicContact CD2-CG2 4.22Å; Y105-I180 HydrophobicContact CE1-CD1 3.97Å; Y105-I180 HydrophobicContact CE1-CG1 4.25Å; Y105-I180 HydrophobicContact CE1-CG2 4.43Å; Y105-I180 HydrophobicContact CE2-CG2 3.55Å; L129-I180 HydrophobicContact CD1-CB 4.47Å; L129-I180 HydrophobicContact CD1-CG2 4.03Å; L129-I180 HydrophobicContact CD2-CG2 4.21Å; L129-I180 HydrophobicContact CG-CG2 4.01Å; Q176-I180 HydrophobicContact CG-CD1 4.29Å; Q176-I180 WeakPolarHBondContact O-CG1 3.33Å; Q176-I180 PolarHBondContact O-N 3.03Å; Q176-I180 VanDerWaalsContact O-N 3.09Å; I177-I180 WeakPolarHBondContact O-CB 3.45Å; I177-I180 PolarHBondContact O-N 3.33Å; I177-I180 VanDerWaalsContact O-N 3.1Å; N178-I180 VanDerWaalsContact C-N 3.33Å; N178-I180 PolarHBondContact O-N 3.39Å; I180-K183 WeakPolarHBondContact O-CB 3.35Å; I180-K183 PolarHBondContact O-N 3.46Å; I180-H184 PolarHBondContact O-CD2 3.23Å; I180-H184 VanDerWaalsContact O-CD2 3.24Å; I180-H184 PolarHBondContact O-N 3.04Å; I180-H184 VanDerWaalsContact O-N 3.16Å
181	Y	98.8	Very high	98.4	Very high	5 Å²	5	57.8 Å²	57.8	2%	0.02	31%	0.305	C	S	.	.	H	α-helix	trans	-62.1	-45.2	175.3	-84.5	-73.6	0	0	0	111.9	S125 S128 L129 V149 I177 N178 K183 H184 T185 M196 L212	S125-Y181 PolarHBondContact O-OH 2.84Å; S128-Y181 PolarHBondContact OG-OH 3.13Å; L129-Y181 WeakPolarHBondContact CA-OH 3.31Å; L129-Y181 HydrophobicContact CB-CE1 4.46Å; L129-Y181 HydrophobicContact CB-CE2 4.1Å; L129-Y181 HydrophobicContact CD1-CE2 4.06Å; L129-Y181 HydrophobicContact CG-CE2 4.38Å; L129-Y181 PolarHBondContact N-OH 3.42Å; V149-Y181 HydrophobicContact CG1-CE1 3.77Å; I177-Y181 HydrophobicContact CG2-CD2 3.76Å; I177-Y181 HydrophobicContact CG2-CE2 3.73Å; I177-Y181 WeakPolarHBondContact O-CD2 3.48Å; I177-Y181 PolarHBondContact O-N 3.05Å; N178-Y181 PolarHBondContact O-N 3Å; Y181-K183 VanDerWaalsContact C-N 3.32Å; Y181-K183 PolarHBondContact O-N 2.94Å; Y181-H184 PolarHBondContact O-N 2.69Å; Y181-T185 WeakPolarHBondContact O-CB 3.28Å; Y181-T185 VanDerWaalsContact O-CG2 3.27Å; Y181-T185 WeakPolarHBondContact O-CG2 3.34Å; Y181-T185 PolarHBondContact O-N 2.87Å; Y181-T185 PolarHBondContact O-OG1 2.76Å; Y181-M196 HydrophobicContact CD2-CE 3.62Å; Y181-M196 HydrophobicContact CD2-SD 3.45Å; Y181-M196 WeakPolarHBondContact CD2-SD 3.38Å; Y181-M196 HydrophobicContact CE2-CE 3.52Å; Y181-M196 HydrophobicContact CE2-SD 3.93Å; Y181-M196 HydrophobicContact CG-SD 3.97Å; Y181-L212 HydrophobicContact CD1-CD2 3.71Å; Y181-L212 HydrophobicContact CE1-CD2 3.64Å
182	A	98.8	Very high	98.5	Very high	17 Å²	17	53.3 Å²	53.3	14%	0.14	28%	0.282	C	S	.	.	H	α-helix	trans	-57.8	-45.1	177	0	0	0	0	0	111.4	N178 N179 H184 G186 L189 I192	N178-A182 WeakPolarHBondContact O-CB 3.46Å; N178-A182 PolarHBondContact O-N 2.88Å; N179-A182 PolarHBondContact O-N 3.35Å; A182-H184 PolarHBondContact O-N 2.91Å; A182-G186 WeakPolarHBondContact O-CA 3.33Å; A182-G186 PolarHBondContact O-N 3.17Å; A182-L189 HydrophobicContact CB-CD1 4.41Å; A182-I192 HydrophobicContact CB-CG1 4.04Å
183	K	98.8	Very high	98.5	Very high	133 Å²	133	52.8 Å²	52.8	58%	0.578	28%	0.281	S	S	*	.	H	α-helix	trans	-55	-48.9	176.4	175.9	-171.5	171.5	-169.6	0	112.3	N179 I180 Y181	N179-K183 WeakPolarHBondContact O-CB 3.42Å; N179-K183 PolarHBondContact O-N 3.22Å; I180-K183 WeakPolarHBondContact O-CB 3.35Å; I180-K183 PolarHBondContact O-N 3.46Å; Y181-K183 VanDerWaalsContact C-N 3.32Å; Y181-K183 PolarHBondContact O-N 2.94Å
184	H	98.8	Very high	98.5	Very high	25 Å²	25	55.9 Å²	55.9	12%	0.116	31%	0.305	C	S	.	.	H	α-helix	trans	-87.2	-24	-171.4	-72.7	-65.1	0	0	0	114.1	Y105 A132 R139 I180 Y181 A182	Y105-H184 AromaticContact CE2-CD2 3.96Å; Y105-H184 AromaticContact CE2-NE2 3.35Å; Y105-H184 VanDerWaalsContact CE2-NE2 3.35Å; Y105-H184 WeakPolarHBondContact CE2-NE2 3.39Å; Y105-H184 AromaticContact CZ-NE2 3.72Å; Y105-H184 PolarHBondContact OH-NE2 3.05Å; A132-H184 HydrophobicContact CB-CB 4.31Å; A132-H184 WeakPolarHBondContact O-CB 3.07Å; R139-H184 PolarHBondContact NH1-O 3.49Å; I180-H184 PolarHBondContact O-CD2 3.23Å; I180-H184 VanDerWaalsContact O-CD2 3.24Å; I180-H184 PolarHBondContact O-N 3.04Å; I180-H184 VanDerWaalsContact O-N 3.16Å; Y181-H184 PolarHBondContact O-N 2.69Å; A182-H184 PolarHBondContact O-N 2.91Å
185	T	98.5	Very high	98.4	Very high	16 Å²	16	55.1 Å²	55.1	10%	0.098	30%	0.303	C	S	.	.	H	α-helix	trans	-90.7	-23	177.9	60.4	0	0	0	0	113	Y181 Q187 F210 G211 L212	Y181-T185 WeakPolarHBondContact O-CB 3.28Å; Y181-T185 VanDerWaalsContact O-CG2 3.27Å; Y181-T185 WeakPolarHBondContact O-CG2 3.34Å; Y181-T185 PolarHBondContact O-N 2.87Å; Y181-T185 PolarHBondContact O-OG1 2.76Å; T185-Q187 PolarHBondContact O-N 3.36Å; T185-Q187 WeakPolarHBondContact OG1-CB 3.48Å; T185-Q187 PolarHBondContact OG1-N 3Å; T185-F210 HydrophobicContact CG2-CD1 4.35Å; T185-F210 HydrophobicContact CG2-CE1 4.41Å; T185-G211 WeakPolarHBondContact CA-O 3.38Å; T185-L212 HydrophobicContact CG2-CD2 3.73Å; T185-L212 HydrophobicContact CG2-CG 4.09Å
186	G	98.3	Very high	98.4	Very high	70 Å²	70	49 Å²	49	72%	0.722	28%	0.281	S	S	*	.			trans	73.4	3.9	-170.4	0	0	0	0	0	113.8	A182	A182-G186 WeakPolarHBondContact O-CA 3.33Å; A182-G186 PolarHBondContact O-N 3.17Å
187	Q	98.4	Very high	98.3	Very high	54 Å²	54	48.5 Å²	48.5	25%	0.252	28%	0.278	S	S	.	.			trans	-74.5	146.9	176.3	-62.6	-68	-10.8	0	0	110.7	T185 T191 I192 F210	T185-Q187 PolarHBondContact O-N 3.36Å; T185-Q187 WeakPolarHBondContact OG1-CB 3.48Å; T185-Q187 PolarHBondContact OG1-N 3Å; Q187-T191 HydrophobicContact CB-CG2 4.47Å; Q187-I192 HydrophobicContact CB-CD1 3.78Å; Q187-I192 HydrophobicContact CB-CG1 4.04Å; Q187-I192 HydrophobicContact CG-CD1 4.29Å; Q187-F210 HydrophobicContact CG-CD2 4.4Å; Q187-F210 HydrophobicContact CG-CE1 4.31Å; Q187-F210 HydrophobicContact CG-CE2 4.11Å; Q187-F210 HydrophobicContact CG-CZ 4.08Å; Q187-F210 WeakPolarHBondContact CG-O 3.32Å; Q187-F210 PolarHBondContact NE2-O 3.28Å
188	P	98.4	Very high	98.2	Very high	73 Å²	73	56.4 Å²	56.4	47%	0.474	31%	0.308	S	S	.	.			trans	-64.7	149	172.8	28.7	-33.3	0	0	0	110.4	D190 T191 I192	P188-D190 VanDerWaalsContact C-N 3.27Å; P188-D190 PolarHBondContact O-N 2.98Å; P188-T191 WeakPolarHBondContact CG-OG1 3.27Å; P188-T191 WeakPolarHBondContact O-CB 3.42Å; P188-T191 PolarHBondContact O-N 3.22Å; P188-I192 PolarHBondContact O-N 3.38Å
189	L	98.3	Very high	98.2	Very high	60 Å²	60	58.8 Å²	58.8	31%	0.314	32%	0.32	S	S	.	.	H	α-helix	trans	-56.3	-41.2	-174.8	-176.2	61.5	0	0	0	112.3	N178 A182 T191 I192 E193	N178-L189 HydrophobicContact CB-CD1 3.81Å; A182-L189 HydrophobicContact CB-CD1 4.41Å; L189-T191 VanDerWaalsContact C-N 3.28Å; L189-T191 PolarHBondContact O-N 3.16Å; L189-I192 WeakPolarHBondContact O-CB 3.3Å; L189-I192 PolarHBondContact O-N 3.09Å; L189-E193 HydrophobicContact CD1-CG 4.45Å; L189-E193 HydrophobicContact CG-CG 4.37Å; L189-E193 WeakPolarHBondContact O-CG 3.17Å; L189-E193 PolarHBondContact O-N 3.34Å
190	D	98.2	Very high	98.1	Very high	126 Å²	126	60.8 Å²	60.8	67%	0.674	32%	0.321	S	S	*	.	H	α-helix	trans	-59.5	-37.6	178.5	-60	-8.6	0	0	0	112.4	P188 E193 S194	P188-D190 VanDerWaalsContact C-N 3.27Å; P188-D190 PolarHBondContact O-N 2.98Å; D190-E193 PolarHBondContact O-N 3.49Å; D190-S194 WeakPolarHBondContact O-CB 3.32Å; D190-S194 PolarHBondContact O-N 2.95Å
191	T	98.4	Very high	98.1	Very high	51 Å²	51	64.4 Å²	64.4	31%	0.313	33%	0.334	S	S	.	.	H	α-helix	trans	-66.6	-43.7	174.7	-66.3	0	0	0	0	110.8	Q187 P188 L189 S194 V195 F210	Q187-T191 HydrophobicContact CB-CG2 4.47Å; P188-T191 WeakPolarHBondContact CG-OG1 3.27Å; P188-T191 WeakPolarHBondContact O-CB 3.42Å; P188-T191 PolarHBondContact O-N 3.22Å; L189-T191 VanDerWaalsContact C-N 3.28Å; L189-T191 PolarHBondContact O-N 3.16Å; T191-S194 PolarHBondContact O-N 3.48Å; T191-V195 HydrophobicContact CG2-CG2 4.33Å; T191-V195 WeakPolarHBondContact O-CB 3.36Å; T191-V195 VanDerWaalsContact O-CG2 3.27Å; T191-V195 WeakPolarHBondContact O-CG2 3.46Å; T191-V195 PolarHBondContact O-N 3.47Å; T191-F210 HydrophobicContact CG2-CE2 4.01Å; T191-F210 HydrophobicContact CG2-CZ 4.36Å
192	I	98.6	Very high	98.1	Very high	1 Å²	1	64.9 Å²	64.9	1%	0.005	34%	0.337	C	S	.	.	H	α-helix	trans	-60.9	-47	176.2	-65.2	-58.5	0	0	0	110.7	N178 A182 Q187 P188 L189 S194 V195 M196 F210	N178-I192 HydrophobicContact CB-CG2 3.87Å; A182-I192 HydrophobicContact CB-CG1 4.04Å; Q187-I192 HydrophobicContact CB-CD1 3.78Å; Q187-I192 HydrophobicContact CB-CG1 4.04Å; Q187-I192 HydrophobicContact CG-CD1 4.29Å; P188-I192 PolarHBondContact O-N 3.38Å; L189-I192 WeakPolarHBondContact O-CB 3.3Å; L189-I192 PolarHBondContact O-N 3.09Å; I192-S194 PolarHBondContact O-N 3.49Å; I192-V195 PolarHBondContact O-N 2.84Å; I192-M196 HydrophobicContact CG2-CG 4.11Å; I192-M196 HydrophobicContact CG2-SD 3.48Å; I192-M196 WeakPolarHBondContact CG2-SD 3.41Å; I192-M196 WeakPolarHBondContact O-CB 3.28Å; I192-M196 VanDerWaalsContact O-CG 3.31Å; I192-M196 WeakPolarHBondContact O-CG 3.22Å; I192-M196 PolarHBondContact O-N 3.1Å; I192-F210 HydrophobicContact CD1-CE1 3.77Å; I192-F210 HydrophobicContact CD1-CZ 3.76Å
193	E	97.9	Very high	98	Very high	77 Å²	77	66.3 Å²	66.3	36%	0.36	35%	0.346	S	S	.	.	H	α-helix	trans	-58	-46.9	178.5	-73.6	-173.8	166.7	0	0	111.7	N178 L189 D190 V195 E197	N178-E193 WeakPolarHBondContact ND2-CG 3.35Å; L189-E193 HydrophobicContact CD1-CG 4.45Å; L189-E193 HydrophobicContact CG-CG 4.37Å; L189-E193 WeakPolarHBondContact O-CG 3.17Å; L189-E193 PolarHBondContact O-N 3.34Å; D190-E193 PolarHBondContact O-N 3.49Å; E193-V195 PolarHBondContact O-N 3.36Å; E193-E197 PolarHBondContact O-N 3.45Å
194	S	97.9	Very high	98	Very high	96 Å²	96	60.2 Å²	60.2	67%	0.671	32%	0.32	S	S	*	.	H	α-helix	trans	-64.2	-40.4	177.4	-178.6	0	0	0	0	112.7	D190 T191 I192	D190-S194 WeakPolarHBondContact O-CB 3.32Å; D190-S194 PolarHBondContact O-N 2.95Å; T191-S194 PolarHBondContact O-N 3.48Å; I192-S194 PolarHBondContact O-N 3.49Å
195	V	97.3	Very high	98	Very high	22 Å²	22	61 Å²	61	13%	0.133	32%	0.324	C	S	.	.	H	α-helix	trans	-73.2	-35.7	-177	165.6	0	0	0	0	111.7	V149 T191 I192 E193 R200 M202 F210	V149-V195 HydrophobicContact CG2-CG1 3.79Å; T191-V195 HydrophobicContact CG2-CG2 4.33Å; T191-V195 WeakPolarHBondContact O-CB 3.36Å; T191-V195 VanDerWaalsContact O-CG2 3.27Å; T191-V195 WeakPolarHBondContact O-CG2 3.46Å; T191-V195 PolarHBondContact O-N 3.47Å; I192-V195 PolarHBondContact O-N 2.84Å; E193-V195 PolarHBondContact O-N 3.36Å; V195-R200 HydrophobicContact CG1-CB 4.2Å; V195-R200 HydrophobicContact CG1-CG 4.01Å; V195-M202 HydrophobicContact CG1-CE 3.88Å; V195-F210 HydrophobicContact CB-CE2 4.47Å; V195-F210 HydrophobicContact CB-CZ 4.04Å; V195-F210 HydrophobicContact CG1-CE1 4.36Å; V195-F210 HydrophobicContact CG1-CE2 4.34Å; V195-F210 HydrophobicContact CG1-CZ 3.84Å; V195-F210 HydrophobicContact CG2-CE2 3.87Å; V195-F210 HydrophobicContact CG2-CZ 3.93Å
196	M	97.4	Very high	98	Very high	2 Å²	2	65 Å²	65	1%	0.01	34%	0.342	C	S	.	.	H	α-helix	trans	-86.9	-7.5	-176.9	-66.4	-173	63.9	0	0	113.9	V149 H150 Q151 I177 N178 Y181 I192 R198	V149-M196 HydrophobicContact CB-CG 4.23Å; V149-M196 HydrophobicContact CG2-CG 4.16Å; H150-M196 CarbonylContact C-O 3.55Å; H150-M196 WeakPolarHBondContact CA-O 3.49Å; H150-M196 WeakPolarHBondContact O-CE 3.36Å; Q151-M196 PolarHBondContact N-O 3.13Å; I177-M196 HydrophobicContact CG2-CE 3.73Å; N178-M196 PolarHBondContact OD1-SD 3.21Å; N178-M196 VanDerWaalsContact OD1-SD 3.36Å; Y181-M196 HydrophobicContact CD2-CE 3.62Å; Y181-M196 HydrophobicContact CD2-SD 3.45Å; Y181-M196 WeakPolarHBondContact CD2-SD 3.38Å; Y181-M196 HydrophobicContact CE2-CE 3.52Å; Y181-M196 HydrophobicContact CE2-SD 3.93Å; Y181-M196 HydrophobicContact CG-SD 3.97Å; I192-M196 HydrophobicContact CG2-CG 4.11Å; I192-M196 HydrophobicContact CG2-SD 3.48Å; I192-M196 WeakPolarHBondContact CG2-SD 3.41Å; I192-M196 WeakPolarHBondContact O-CB 3.28Å; I192-M196 VanDerWaalsContact O-CG 3.31Å; I192-M196 WeakPolarHBondContact O-CG 3.22Å; I192-M196 PolarHBondContact O-N 3.1Å; M196-R198 PolarHBondContact O-N 2.95Å; M196-R198 VanDerWaalsContact O-N 3.12Å
197	E	96.4	Very high	98	Very high	78 Å²	78	61.6 Å²	61.6	36%	0.364	31%	0.307	S	S	.	.	S	Bend	trans	-59.8	-28.4	-176.9	-169	53.7	-140	0	0	112.9	Q151 K174 E193	Q151-E197 PolarHBondContact NE2-O 3.23Å; Q151-E197 PolarHBondContact NE2-OE1 2.83Å; K174-E197 IonicContact NZ-OE1 3.8Å; K174-E197 IonicContact NZ-OE2 2.72Å; K174-E197 PolarHBondContact NZ-OE2 3.35Å; E193-E197 PolarHBondContact O-N 3.45Å
198	R	96.8	Very high	98	Very high	174 Å²	174	61.4 Å²	61.4	66%	0.657	31%	0.306	S	S	*	.	S	Bend	trans	-135.1	168.5	173.4	-63.6	-63.9	-178	-142.1	0.6	110	M196 R200	M196-R198 PolarHBondContact O-N 2.95Å; M196-R198 VanDerWaalsContact O-N 3.12Å; R198-R200 PolarHBondContact O-N 3.3Å
199	D	97.7	Very high	98	Very high	51 Å²	51	62.7 Å²	62.7	27%	0.273	31%	0.309	S	S	.	.			trans	-55	110	173.6	-47	-17.5	0	0	0	109.7	R18 M148 H150 Y201	R18-D199 VanDerWaalsContact CD-OD2 3.26Å; R18-D199 WeakPolarHBondContact CD-OD2 3.21Å; R18-D199 IonicContact CZ-OD2 3.81Å; R18-D199 IonicContact NE-OD2 3.98Å; R18-D199 IonicContact NH1-OD2 2.82Å; R18-D199 PolarHBondContact NH1-OD2 2.86Å; M148-D199 HydrophobicContact SD-CB 4.27Å; H150-D199 IonicContact ND1-OD1 3.62Å; D199-Y201 HydrophobicContact CB-CE2 4.02Å
200	R	97.9	Very high	98	Very high	128 Å²	128	61.1 Å²	61.1	48%	0.483	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	112.4	174.5	175.1	66.4	104.7	143.6	3.8	109.2	M148 V149 V195 R198 M202	M148-R200 VanDerWaalsContact CA-O 3.27Å; M148-R200 WeakPolarHBondContact CA-O 3.31Å; V149-R200 HydrophobicContact CG2-CB 4.06Å; V149-R200 PolarHBondContact N-O 2.9Å; V149-R200 PolarHBondContact O-N 3.27Å; V195-R200 HydrophobicContact CG1-CB 4.2Å; V195-R200 HydrophobicContact CG1-CG 4.01Å; R198-R200 PolarHBondContact O-N 3.3Å; R200-M202 HydrophobicContact CG-CE 3.67Å; R200-M202 HydrophobicContact CG-CG 4.33Å
201	Y	98.3	Very high	98	Very high	93 Å²	93	55.7 Å²	55.7	37%	0.365	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	145.2	171.8	-64.6	-92	0	0	0	110.5	I147 M148 D199	I147-Y201 CarbonylContact O-C 3.5Å; I147-Y201 WeakPolarHBondContact O-CA 3.39Å; M148-Y201 HydrophobicContact CB-CD1 3.69Å; M148-Y201 HydrophobicContact CB-CE1 3.76Å; M148-Y201 HydrophobicContact CB-CG 4.33Å; M148-Y201 HydrophobicContact CG-CD1 3.63Å; M148-Y201 HydrophobicContact CG-CD2 4.12Å; M148-Y201 HydrophobicContact CG-CE1 3.49Å; M148-Y201 VanDerWaalsContact CG-CE1 3.49Å; M148-Y201 HydrophobicContact CG-CE2 4Å; M148-Y201 HydrophobicContact CG-CG 3.95Å; D199-Y201 HydrophobicContact CB-CE2 4.02Å
202	M	98.5	Very high	98	Very high	16 Å²	16	53.3 Å²	53.3	8%	0.079	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	137.9	178.3	-60.6	178.3	-167	0	0	109.2	I147 V149 V195 R200 E206 A207 F210 L212	I147-M202 PolarHBondContact N-O 2.78Å; I147-M202 PolarHBondContact O-N 3.34Å; V149-M202 HydrophobicContact CG2-CE 4.14Å; V195-M202 HydrophobicContact CG1-CE 3.88Å; R200-M202 HydrophobicContact CG-CE 3.67Å; R200-M202 HydrophobicContact CG-CG 4.33Å; M202-E206 HydrophobicContact CB-CB 3.95Å; M202-E206 HydrophobicContact CG-CB 4.38Å; M202-A207 HydrophobicContact CB-CB 4.18Å; M202-A207 HydrophobicContact SD-CB 4.47Å; M202-F210 HydrophobicContact CE-CB 4.44Å; M202-F210 HydrophobicContact CE-CD1 3.9Å; M202-F210 HydrophobicContact CE-CD2 4.3Å; M202-F210 HydrophobicContact CE-CE1 4.19Å; M202-F210 HydrophobicContact CE-CG 3.95Å; M202-F210 HydrophobicContact SD-CB 4.04Å; M202-F210 HydrophobicContact SD-CD1 4.28Å; M202-F210 HydrophobicContact SD-CG 4.18Å; M202-L212 HydrophobicContact CE-CD1 4.31Å; M202-L212 HydrophobicContact SD-CD1 3.65Å
203	S	98.4	Very high	98	Very high	46 Å²	46	53.3 Å²	53.3	32%	0.322	26%	0.259	S	S	.	.			trans	-63.2	164.6	159.3	64.7	0	0	0	0	110.5	M205 E206 A207	S203-M205 PolarHBondContact O-N 3.24Å; S203-E206 WeakPolarHBondContact CB-OE2 3.43Å; S203-E206 PolarHBondContact N-OE2 2.81Å; S203-E206 PolarHBondContact O-N 3.45Å; S203-E206 WeakPolarHBondContact OG-CB 3.43Å; S203-E206 VanDerWaalsContact OG-CG 3.27Å; S203-E206 WeakPolarHBondContact OG-CG 3.37Å; S203-E206 PolarHBondContact OG-N 3.08Å; S203-E206 PolarHBondContact OG-OE2 3.15Å; S203-A207 WeakPolarHBondContact O-CB 3.4Å; S203-A207 PolarHBondContact O-N 3.5Å
204	P	98.4	Very high	98	Very high	6 Å²	6	51.4 Å²	51.4	4%	0.039	25%	0.251	C	S	.	.	H	α-helix	trans	-58.9	-37.2	176.7	-27.1	39.2	0	0	0	112.5	L142 P143 A145 A207 Q208 I213 V216	L142-P204 WeakPolarHBondContact O-CG 3.47Å; P143-P204 WeakPolarHBondContact O-CG 3.46Å; A145-P204 HydrophobicContact CB-CG 4.42Å; A145-P204 WeakPolarHBondContact O-CD 3.4Å; A145-P204 WeakPolarHBondContact O-CG 3.32Å; P204-A207 PolarHBondContact O-N 3.35Å; P204-Q208 WeakPolarHBondContact O-CB 3.43Å; P204-Q208 PolarHBondContact O-N 3.39Å; P204-I213 HydrophobicContact CB-CD1 4.36Å; P204-I213 WeakPolarHBondContact O-CD1 3.43Å; P204-V216 HydrophobicContact CB-CB 4.36Å; P204-V216 HydrophobicContact CB-CG1 3.74Å; P204-V216 HydrophobicContact CB-CG2 3.61Å
205	M	98.1	Very high	98	Very high	40 Å²	40	51 Å²	51	20%	0.197	24%	0.235	C	C	.	.	H	α-helix	trans	-67.8	-45.5	177.9	-63.3	-52.8	-61.5	0	0	111.9	S203 A207 Q208 D209 V216 V231 K233	S203-M205 PolarHBondContact O-N 3.24Å; M205-A207 VanDerWaalsContact C-N 3.29Å; M205-A207 PolarHBondContact O-N 3.27Å; M205-Q208 WeakPolarHBondContact O-CB 3.38Å; M205-Q208 PolarHBondContact O-N 3.5Å; M205-D209 PolarHBondContact O-N 3.36Å; M205-V216 HydrophobicContact SD-CB 4Å; M205-V216 HydrophobicContact SD-CG1 4.45Å; M205-V216 HydrophobicContact SD-CG2 3.65Å; M205-V231 HydrophobicContact CG-CG1 4.41Å; M205-V231 HydrophobicContact SD-CB 4.03Å; M205-V231 HydrophobicContact SD-CG1 3.78Å; M205-K233 HydrophobicContact CE-CB 4.47Å; M205-K233 HydrophobicContact CE-CD 4.14Å; M205-K233 HydrophobicContact CE-CG 3.28Å
206	E	98.4	Very high	98	Very high	100 Å²	100	50.1 Å²	50.1	47%	0.467	23%	0.23	S	C	.	.	H	α-helix	trans	-61.8	-38.7	174.5	-71.5	166.4	131.7	0	0	111.6	M202 S203 Q208 D209 F210	M202-E206 HydrophobicContact CB-CB 3.95Å; M202-E206 HydrophobicContact CG-CB 4.38Å; S203-E206 WeakPolarHBondContact CB-OE2 3.43Å; S203-E206 PolarHBondContact N-OE2 2.81Å; S203-E206 PolarHBondContact O-N 3.45Å; S203-E206 WeakPolarHBondContact OG-CB 3.43Å; S203-E206 VanDerWaalsContact OG-CG 3.27Å; S203-E206 WeakPolarHBondContact OG-CG 3.37Å; S203-E206 PolarHBondContact OG-N 3.08Å; S203-E206 PolarHBondContact OG-OE2 3.15Å; E206-Q208 VanDerWaalsContact C-N 3.35Å; E206-D209 PolarHBondContact O-N 3.04Å; E206-F210 VanDerWaalsContact O-CB 3.31Å; E206-F210 WeakPolarHBondContact O-CB 3.17Å; E206-F210 PolarHBondContact O-N 2.93Å
207	A	98.5	Very high	97.7	Very high	0 Å²	0	50.6 Å²	50.6	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-68.1	-34.7	176.7	0	0	0	0	0	112.4	I147 M202 S203 P204 M205 G211 L212 I213	I147-A207 HydrophobicContact CB-CB 4.09Å; I147-A207 HydrophobicContact CD1-CB 3.71Å; I147-A207 HydrophobicContact CG1-CB 4.01Å; I147-A207 HydrophobicContact CG2-CB 4.47Å; M202-A207 HydrophobicContact CB-CB 4.18Å; M202-A207 HydrophobicContact SD-CB 4.47Å; S203-A207 WeakPolarHBondContact O-CB 3.4Å; S203-A207 PolarHBondContact O-N 3.5Å; P204-A207 PolarHBondContact O-N 3.35Å; M205-A207 VanDerWaalsContact C-N 3.29Å; M205-A207 PolarHBondContact O-N 3.27Å; A207-G211 PolarHBondContact O-N 3.16Å; A207-G211 VanDerWaalsContact O-N 3.13Å; A207-L212 HydrophobicContact CB-CB 4.21Å; A207-L212 HydrophobicContact CB-CD1 4.26Å; A207-L212 WeakPolarHBondContact O-CB 3.41Å; A207-L212 PolarHBondContact O-N 3.28Å; A207-I213 HydrophobicContact CB-CD1 4.43Å; A207-I213 HydrophobicContact CB-CG1 4.31Å
208	Q	98.3	Very high	97.4	Very high	50 Å²	50	49.6 Å²	49.6	23%	0.234	23%	0.231	C	C	.	.	H	α-helix	trans	-64.9	-47.1	172.7	-171.4	-174.6	12.5	0	0	110.5	P204 M205 E206 F210 G211 I213 D214	P204-Q208 WeakPolarHBondContact O-CB 3.43Å; P204-Q208 PolarHBondContact O-N 3.39Å; M205-Q208 WeakPolarHBondContact O-CB 3.38Å; M205-Q208 PolarHBondContact O-N 3.5Å; E206-Q208 VanDerWaalsContact C-N 3.35Å; Q208-F210 VanDerWaalsContact C-N 3.29Å; Q208-F210 PolarHBondContact O-N 3.04Å; Q208-G211 PolarHBondContact O-N 2.92Å; Q208-I213 WeakPolarHBondContact CA-O 3.35Å; Q208-I213 HydrophobicContact CB-CD1 4.32Å; Q208-I213 HydrophobicContact CB-CG1 3.88Å; Q208-D214 PolarHBondContact NE2-O 3.07Å
209	D	98.2	Very high	96.9	Very high	99 Å²	99	45.8 Å²	45.8	53%	0.529	22%	0.221	S	C	.	.	H	α-helix	trans	-64.3	-34.6	178	-70.9	-17.9	0	0	0	112.5	M205 E206 G211 K233	M205-D209 PolarHBondContact O-N 3.36Å; E206-D209 PolarHBondContact O-N 3.04Å; D209-G211 VanDerWaalsContact C-N 3.26Å; D209-G211 PolarHBondContact O-N 3.27Å; D209-K233 VanDerWaalsContact OD1-CE 3.3Å; D209-K233 WeakPolarHBondContact OD1-CE 3.42Å; D209-K233 IonicContact OD1-NZ 3.99Å; D209-K233 PolarHBondContact OD1-NZ 3.04Å; D209-K233 IonicContact OD2-NZ 3.33Å
210	F	98.3	Very high	96.3	Very high	28 Å²	28	47.9 Å²	47.9	12%	0.123	24%	0.237	C	C	.	.	H	α-helix	trans	-74	-17.1	175	-163.5	-107	0	0	0	113.1	T185 Q187 T191 I192 V195 M202 E206 Q208 L212	T185-F210 HydrophobicContact CG2-CD1 4.35Å; T185-F210 HydrophobicContact CG2-CE1 4.41Å; Q187-F210 HydrophobicContact CG-CD2 4.4Å; Q187-F210 HydrophobicContact CG-CE1 4.31Å; Q187-F210 HydrophobicContact CG-CE2 4.11Å; Q187-F210 HydrophobicContact CG-CZ 4.08Å; Q187-F210 WeakPolarHBondContact CG-O 3.32Å; Q187-F210 PolarHBondContact NE2-O 3.28Å; T191-F210 HydrophobicContact CG2-CE2 4.01Å; T191-F210 HydrophobicContact CG2-CZ 4.36Å; I192-F210 HydrophobicContact CD1-CE1 3.77Å; I192-F210 HydrophobicContact CD1-CZ 3.76Å; V195-F210 HydrophobicContact CB-CE2 4.47Å; V195-F210 HydrophobicContact CB-CZ 4.04Å; V195-F210 HydrophobicContact CG1-CE1 4.36Å; V195-F210 HydrophobicContact CG1-CE2 4.34Å; V195-F210 HydrophobicContact CG1-CZ 3.84Å; V195-F210 HydrophobicContact CG2-CE2 3.87Å; V195-F210 HydrophobicContact CG2-CZ 3.93Å; M202-F210 HydrophobicContact CE-CB 4.44Å; M202-F210 HydrophobicContact CE-CD1 3.9Å; M202-F210 HydrophobicContact CE-CD2 4.3Å; M202-F210 HydrophobicContact CE-CE1 4.19Å; M202-F210 HydrophobicContact CE-CG 3.95Å; M202-F210 HydrophobicContact SD-CB 4.04Å; M202-F210 HydrophobicContact SD-CD1 4.28Å; M202-F210 HydrophobicContact SD-CG 4.18Å; E206-F210 VanDerWaalsContact O-CB 3.31Å; E206-F210 WeakPolarHBondContact O-CB 3.17Å; E206-F210 PolarHBondContact O-N 2.93Å; Q208-F210 VanDerWaalsContact C-N 3.29Å; Q208-F210 PolarHBondContact O-N 3.04Å; F210-L212 HydrophobicContact CD1-CD1 3.88Å; F210-L212 HydrophobicContact CD1-CG 3.91Å
211	G	98.4	Very high	95.4	Very high	12 Å²	12	45.3 Å²	45.3	12%	0.124	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	92.1	12.8	179.4	0	0	0	0	0	115.1	R139 T185 A207 Q208 D209	R139-G211 PolarHBondContact NH1-O 3.16Å; R139-G211 PolarHBondContact NH2-O 3.04Å; R139-G211 VanDerWaalsContact NH2-O 3.08Å; T185-G211 WeakPolarHBondContact CA-O 3.38Å; A207-G211 PolarHBondContact O-N 3.16Å; A207-G211 VanDerWaalsContact O-N 3.13Å; Q208-G211 PolarHBondContact O-N 2.92Å; D209-G211 VanDerWaalsContact C-N 3.26Å; D209-G211 PolarHBondContact O-N 3.27Å
212	L	98.5	Very high	94.4	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	24%	0.238	C	C	.	.	S	Bend	trans	-74.9	-28	176.1	-71.2	163	0	0	0	112.7	A132 I147 V149 Y181 T185 M202 A207 F210	A132-L212 WeakPolarHBondContact CA-O 3.34Å; A132-L212 HydrophobicContact CB-CD2 3.87Å; I147-L212 HydrophobicContact CG2-CD1 3.87Å; V149-L212 HydrophobicContact CG1-CD1 4.18Å; V149-L212 HydrophobicContact CG1-CD2 4.4Å; Y181-L212 HydrophobicContact CD1-CD2 3.71Å; Y181-L212 HydrophobicContact CE1-CD2 3.64Å; T185-L212 HydrophobicContact CG2-CD2 3.73Å; T185-L212 HydrophobicContact CG2-CG 4.09Å; M202-L212 HydrophobicContact CE-CD1 4.31Å; M202-L212 HydrophobicContact SD-CD1 3.65Å; A207-L212 HydrophobicContact CB-CB 4.21Å; A207-L212 HydrophobicContact CB-CD1 4.26Å; A207-L212 WeakPolarHBondContact O-CB 3.41Å; A207-L212 PolarHBondContact O-N 3.28Å; F210-L212 HydrophobicContact CD1-CD1 3.88Å; F210-L212 HydrophobicContact CD1-CG 3.91Å
213	I	98.8	Very high	93.4	Very high	2 Å²	2	49.4 Å²	49.4	1%	0.01	28%	0.279	C	S	.	.			trans	-137.9	165.6	176.1	62.2	173.9	0	0	0	110	L131 R139 P204 A207 Q208 V216	L131-I213 HydrophobicContact CD1-CG2 3.93Å; L131-I213 HydrophobicContact CD2-CG2 3.57Å; L131-I213 HydrophobicContact CG-CG2 3.68Å; R139-I213 HydrophobicContact CB-CB 4.31Å; R139-I213 HydrophobicContact CB-CG2 4.45Å; P204-I213 HydrophobicContact CB-CD1 4.36Å; P204-I213 WeakPolarHBondContact O-CD1 3.43Å; A207-I213 HydrophobicContact CB-CD1 4.43Å; A207-I213 HydrophobicContact CB-CG1 4.31Å; Q208-I213 WeakPolarHBondContact CA-O 3.35Å; Q208-I213 HydrophobicContact CB-CD1 4.32Å; Q208-I213 HydrophobicContact CB-CG1 3.88Å; I213-V216 HydrophobicContact CD1-CG2 3.92Å
214	D	98.3	Very high	92.4	Very high	37 Å²	37	51.4 Å²	51.4	20%	0.198	31%	0.306	C	S	.	.	S	Bend	trans	-103.1	-33.8	-179.4	-53.9	-58.9	0	0	0	112.5	G137 M138 R139 Q208	G137-D214 VanDerWaalsContact C-OD2 3.3Å; G137-D214 VanDerWaalsContact CA-CG 3.48Å; G137-D214 VanDerWaalsContact CA-OD2 3.22Å; G137-D214 WeakPolarHBondContact CA-OD2 3.27Å; G137-D214 PolarHBondContact N-OD2 3.11Å; M138-D214 PolarHBondContact N-OD2 3.02Å; R139-D214 WeakPolarHBondContact CB-OD2 3.32Å; R139-D214 VanDerWaalsContact CG-OD2 3.31Å; R139-D214 WeakPolarHBondContact CG-OD2 3.42Å; R139-D214 IonicContact CZ-OD1 3.79Å; R139-D214 IonicContact CZ-OD2 3.1Å; R139-D214 PolarHBondContact N-OD2 3.29Å; R139-D214 IonicContact NE-OD1 3.24Å; R139-D214 PolarHBondContact NE-OD1 2.93Å; R139-D214 IonicContact NE-OD2 2.91Å; R139-D214 PolarHBondContact NE-OD2 3.3Å; R139-D214 IonicContact NH2-OD1 3.86Å; R139-D214 PolarHBondContact NH2-OD1 2.88Å; R139-D214 IonicContact NH2-OD2 2.66Å; R139-D214 PolarHBondContact O-N 3.46Å; Q208-D214 PolarHBondContact NE2-O 3.07Å
215	R	96.6	Very high	91.2	Very high	88 Å²	88	55.9 Å²	55.9	33%	0.332	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	142.7	-172.9	-51.2	-175.9	-171.1	-164.5	-2.4	112.8	R139 H140 S141 L217 L230	R139-R215 PolarHBondContact O-N 3.27Å; R139-R215 VanDerWaalsContact O-N 3.09Å; H140-R215 WeakPolarHBondContact CA-O 3.09Å; S141-R215 PolarHBondContact N-O 3.3Å; R215-L217 HydrophobicContact CB-CD1 4.33Å; R215-L230 HydrophobicContact CB-CD2 4.05Å
216	V	97.2	Very high	90.1	Very high	3 Å²	3	61.6 Å²	61.6	2%	0.018	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	114.4	169	-171.7	0	0	0	0	108.6	S141 P143 P204 M205 I213 L230 V231	S141-V216 VanDerWaalsContact O-CA 3.31Å; S141-V216 WeakPolarHBondContact O-CA 3.32Å; P143-V216 HydrophobicContact CB-CG1 4.41Å; P143-V216 HydrophobicContact CG-CG1 4.37Å; P204-V216 HydrophobicContact CB-CB 4.36Å; P204-V216 HydrophobicContact CB-CG1 3.74Å; P204-V216 HydrophobicContact CB-CG2 3.61Å; M205-V216 HydrophobicContact SD-CB 4Å; M205-V216 HydrophobicContact SD-CG1 4.45Å; M205-V216 HydrophobicContact SD-CG2 3.65Å; I213-V216 HydrophobicContact CD1-CG2 3.92Å; V216-L230 WeakPolarHBondContact O-CA 3.34Å; V216-V231 HydrophobicContact CB-CB 4.13Å; V216-V231 HydrophobicContact CB-CG2 4.06Å; V216-V231 HydrophobicContact CG1-CB 4.07Å; V216-V231 HydrophobicContact CG1-CG2 3.5Å; V216-V231 PolarHBondContact O-N 2.9Å
217	L	91.6	Very high	89.3	Confident	12 Å²	12	63 Å²	63	6%	0.063	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	136.7	-172.1	-60.8	94.4	0	0	0	111.8	W118 H140 S141 P143 R215 P228 L230	W118-L217 HydrophobicContact CE3-CD1 4.39Å; W118-L217 HydrophobicContact CH2-CD1 4.41Å; W118-L217 HydrophobicContact CH2-CD2 4Å; W118-L217 HydrophobicContact CZ3-CD1 3.76Å; W118-L217 HydrophobicContact CZ3-CD2 3.82Å; W118-L217 HydrophobicContact CZ3-CG 4.37Å; H140-L217 HydrophobicContact CB-CD1 3.47Å; H140-L217 VanDerWaalsContact CB-CD1 3.47Å; S141-L217 PolarHBondContact O-N 2.87Å; P143-L217 WeakPolarHBondContact CD-O 3.38Å; P143-L217 WeakPolarHBondContact CG-O 3.33Å; R215-L217 HydrophobicContact CB-CD1 4.33Å; L217-P228 HydrophobicContact CD2-CB 3.85Å; L217-P228 HydrophobicContact CD2-CG 4.13Å; L217-L230 HydrophobicContact CG-CD2 3.94Å
218	V	90.3	Very high	88.6	Confident	57 Å²	57	64.4 Å²	64.4	35%	0.345	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	-51.6	172.4	-174.5	0	0	0	0	109.9	P143 E229 V231	P143-V218 HydrophobicContact CG-CG2 4.34Å; V218-E229 HydrophobicContact CB-CB 4.46Å; V218-E229 HydrophobicContact CB-CG 4.24Å; V218-E229 PolarHBondContact N-O 3.41Å; V218-V231 HydrophobicContact CG2-CB 4.43Å; V218-V231 HydrophobicContact CG2-CG2 3.54Å
219	H	86.4	Confident	87.9	Confident	94 Å²	94	65.6 Å²	65.6	44%	0.435	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	147.3	179.9	-69.7	-57.5	0	0	0	111.3	Q222 E229	H219-Q222 HydrophobicContact CB-CG 4.5Å; H219-E229 HydrophobicContact CB-CB 4.13Å; H219-E229 IonicContact CD2-OE2 2.84Å; H219-E229 PolarHBondContact CD2-OE2 2.95Å; H219-E229 PolarHBondContact N-O 3.32Å; H219-E229 PolarHBondContact O-N 3.06Å
220	P	84.1	Confident	87.4	Confident	94 Å²	94	64.2 Å²	64.2	61%	0.61	37%	0.372	S	S	*	.	S	Bend	trans	-62.4	169.5	164.6	31.1	-35.5	0	0	0	110.3	Q222	P220-Q222 PolarHBondContact O-N 3.45Å; P220-Q222 VanDerWaalsContact O-N 3.09Å
221	P	79.8	Confident	86.7	Confident	74 Å²	74	65.1 Å²	65.1	48%	0.481	38%	0.379	S	S	.	.	P	Polyproline II helix	trans	-49.7	120.8	177.6	-25.9	34.3	0	0	0	111.3	Q225 P228	P221-Q225 WeakPolarHBondContact CB-O 3.5Å; P221-P228 HydrophobicContact CG-CB 4.43Å
222	Q	78.3	Confident	85.8	Confident	83 Å²	83	72.9 Å²	72.9	39%	0.388	41%	0.412	S	S	.	.	P	Polyproline II helix	trans	-80	164.2	-179.5	-59.6	-170.6	17.8	0	0	110.3	H219 P220 G224 Q225 E229	H219-Q222 HydrophobicContact CB-CG 4.5Å; P220-Q222 PolarHBondContact O-N 3.45Å; P220-Q222 VanDerWaalsContact O-N 3.09Å; Q222-G224 PolarHBondContact O-N 3.09Å; Q222-Q225 PolarHBondContact O-N 2.91Å; Q222-E229 PolarHBondContact NE2-OE2 3.5Å
223	A	77.2	Confident	84.5	Confident	113 Å²	113	78.6 Å²	78.6	93%	0.934	44%	0.437	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.8	117.9	178.2	0	0	0	0	0	111
224	G	77.6	Confident	82.7	Confident	88 Å²	88	87.2 Å²	87.2	91%	0.907	48%	0.477	S	S	*	.	T	Hydrogen-bonded Turn	trans	87.9	7.3	-176.5	0	0	0	0	0	115.2	Q222	Q222-G224 PolarHBondContact O-N 3.09Å
225	Q	72.4	Confident	80.1	Confident	99 Å²	99	91 Å²	91	46%	0.463	50%	0.504	S	S	.	.			trans	-121.4	131.7	173.5	-62.8	-179.8	-7.2	0	0	109.9	P221 Q222	P221-Q225 WeakPolarHBondContact CB-O 3.5Å; Q222-Q225 PolarHBondContact O-N 2.91Å
226	D	76.1	Confident	77.7	Confident	160 Å²	160	91.7 Å²	91.7	86%	0.856	53%	0.529	S	S	*	.	S	Bend	trans	-84.8	-25.5	179.6	-65.9	-32.5	0	0	0	112.6
227	E	81.5	Confident	75.1	Confident	131 Å²	131	96 Å²	96	61%	0.612	56%	0.564	S	S	*	*	S	Bend	trans	-105.1	148.8	-177.7	-69.8	-66.7	156.6	0	0	111.8
228	P	82.3	Confident	72.6	Confident	29 Å²	29	99.6 Å²	99.6	19%	0.188	60%	0.596	C	S	.	*			trans	-72	153.7	175.7	30.2	-33.4	0	0	0	112	L217 P221 L230	L217-P228 HydrophobicContact CD2-CB 3.85Å; L217-P228 HydrophobicContact CD2-CG 4.13Å; P221-P228 HydrophobicContact CG-CB 4.43Å; P228-L230 HydrophobicContact CG-CD2 4.43Å; P228-L230 PolarHBondContact O-N 3.34Å
229	E	85.3	Confident	70.4	Confident	74 Å²	74	101.7 Å²	101.7	35%	0.346	62%	0.619	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-78.4	123.1	173.6	-170.5	178.1	168.6	0	0	110.3	V218 H219 Q222	V218-E229 HydrophobicContact CB-CB 4.46Å; V218-E229 HydrophobicContact CB-CG 4.24Å; V218-E229 PolarHBondContact N-O 3.41Å; H219-E229 HydrophobicContact CB-CB 4.13Å; H219-E229 IonicContact CD2-OE2 2.84Å; H219-E229 PolarHBondContact CD2-OE2 2.95Å; H219-E229 PolarHBondContact N-O 3.32Å; H219-E229 PolarHBondContact O-N 3.06Å; Q222-E229 PolarHBondContact NE2-OE2 3.5Å
230	L	85.8	Confident	68	Low	71 Å²	71	102.2 Å²	102.2	37%	0.372	63%	0.633	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-104.5	151.9	-179.9	-57.6	-177.3	0	0	0	111.1	R215 V216 L217 P228 Q232	R215-L230 HydrophobicContact CB-CD2 4.05Å; V216-L230 WeakPolarHBondContact O-CA 3.34Å; L217-L230 HydrophobicContact CG-CD2 3.94Å; P228-L230 HydrophobicContact CG-CD2 4.43Å; P228-L230 PolarHBondContact O-N 3.34Å; L230-Q232 PolarHBondContact O-N 3.38Å
231	V	85.2	Confident	66	Low	46 Å²	46	103.6 Å²	103.6	28%	0.279	64%	0.642	S	S	.	*	P	Polyproline II helix	trans	-62.7	124	170.5	176.7	0	0	0	0	108.7	P143 M205 V216 V218	P143-V231 HydrophobicContact CB-CG2 3.98Å; P143-V231 HydrophobicContact CG-CG2 3.81Å; M205-V231 HydrophobicContact CG-CG1 4.41Å; M205-V231 HydrophobicContact SD-CB 4.03Å; M205-V231 HydrophobicContact SD-CG1 3.78Å; V216-V231 HydrophobicContact CB-CB 4.13Å; V216-V231 HydrophobicContact CB-CG2 4.06Å; V216-V231 HydrophobicContact CG1-CB 4.07Å; V216-V231 HydrophobicContact CG1-CG2 3.5Å; V216-V231 PolarHBondContact O-N 2.9Å; V218-V231 HydrophobicContact CG2-CB 4.43Å; V218-V231 HydrophobicContact CG2-CG2 3.54Å
232	Q	78.7	Confident	64.3	Low	175 Å²	175	105 Å²	105	82%	0.818	65%	0.654	S	S	*	*	P	Polyproline II helix	trans	-75.5	133.2	174.5	-60.6	-177.6	17.6	0	0	109.1	L230 E234	L230-Q232 PolarHBondContact O-N 3.38Å; Q232-E234 PolarHBondContact O-N 2.71Å
233	K	70.3	Confident	62.6	Low	121 Å²	121	107.3 Å²	107.3	53%	0.526	68%	0.676	S	S	.	*	P	Polyproline II helix	trans	-67	120.8	166.2	-75.8	178.8	176	-175.9	0	107.5	M205 D209	M205-K233 HydrophobicContact CE-CB 4.47Å; M205-K233 HydrophobicContact CE-CD 4.14Å; M205-K233 HydrophobicContact CE-CG 3.28Å; D209-K233 VanDerWaalsContact OD1-CE 3.3Å; D209-K233 WeakPolarHBondContact OD1-CE 3.42Å; D209-K233 IonicContact OD1-NZ 3.99Å; D209-K233 PolarHBondContact OD1-NZ 3.04Å; D209-K233 IonicContact OD2-NZ 3.33Å
234	E	60.8	Low	61.1	Low	182 Å²	182	106.7 Å²	106.7	85%	0.85	67%	0.665	S	S	*	*	P	Polyproline II helix	trans	-54.6	130.1	164.7	-76.1	-174.7	163.2	0	0	107.7	Q232 A236	Q232-E234 PolarHBondContact O-N 2.71Å; E234-A236 PolarHBondContact O-N 3.49Å
235	P	44.8	Very low	59.4	Low	117 Å²	117	108.4 Å²	108.4	76%	0.76	66%	0.66	S	S	*	*	P	Polyproline II helix	trans	-58.2	128.3	173.9	22.6	-29.5	0	0	0	107.3	A237	P235-A237 PolarHBondContact O-N 3.4Å
236	A	45.6	Very low	57.8	Low	103 Å²	103	112.7 Å²	112.7	85%	0.851	68%	0.68	S	S	*	*			trans	-49.5	103.6	177.8	0	0	0	0	0	108.5	E234 A238	E234-A236 PolarHBondContact O-N 3.49Å; A236-A238 PolarHBondContact O-N 2.99Å
237	A	42.2	Very low	56.1	Low	93 Å²	93	113 Å²	113	77%	0.769	68%	0.681	S	S	*	*			trans	-57.4	119.7	-179	0	0	0	0	0	106.9	P235 A239	P235-A237 PolarHBondContact O-N 3.4Å; A237-A239 PolarHBondContact O-N 3.23Å; A237-A239 VanDerWaalsContact O-N 3.15Å
238	A	40.3	Very low	54	Low	88 Å²	88	116.3 Å²	116.3	73%	0.727	70%	0.696	S	S	*	*			trans	-44.4	125.6	173.7	0	0	0	0	0	108.4	A236 S240	A236-A238 PolarHBondContact O-N 2.99Å; A238-S240 PolarHBondContact O-N 3.04Å
239	A	43.4	Very low	51.8	Low	100 Å²	100	120.7 Å²	120.7	83%	0.826	73%	0.728	S	S	*	*			trans	-43	108.9	178.2	0	0	0	0	0	109.3	A237	A237-A239 PolarHBondContact O-N 3.23Å; A237-A239 VanDerWaalsContact O-N 3.15Å
240	S	35.4	Very low	49.5	Very low	105 Å²	105	122.1 Å²	122.1	73%	0.734	75%	0.752	S	S	*	*	P	Polyproline II helix	trans	-64.6	130	175.6	-57.9	0	0	0	0	107.1	A238 S242	A238-S240 PolarHBondContact O-N 3.04Å; S240-S242 PolarHBondContact O-N 3.44Å
241	P	43.5	Very low	47.1	Very low	123 Å²	123	122 Å²	122	80%	0.799	77%	0.769	S	S	*	*	P	Polyproline II helix	trans	-62.9	133.4	-177.9	25.1	-31.1	0	0	0	108.8
242	S	44.1	Very low	45.2	Very low	104 Å²	104	125.7 Å²	125.7	73%	0.727	79%	0.793	S	S	*	*	P	Polyproline II helix	trans	-49.4	137.1	177	-42.6	0	0	0	0	110.3	S240 S244	S240-S242 PolarHBondContact O-N 3.44Å; S242-S244 PolarHBondContact O-N 3.43Å; S242-S244 VanDerWaalsContact O-N 3.16Å
243	P	42.3	Very low	43.3	Very low	131 Å²	131	124.8 Å²	124.8	85%	0.851	79%	0.794	S	S	*	*	P	Polyproline II helix	trans	-66.2	122	179	26.3	-30.6	0	0	0	108.9
244	S	45.8	Very low	41.7	Very low	101 Å²	101	128.6 Å²	128.6	71%	0.706	81%	0.814	S	S	*	*	P	Polyproline II helix	trans	-62.4	147.7	170	-50.6	0	0	0	0	109.8	S242 Q246	S242-S244 PolarHBondContact O-N 3.43Å; S242-S244 VanDerWaalsContact O-N 3.16Å; S244-Q246 PolarHBondContact O-N 3.04Å
245	P	42.2	Very low	40.5	Very low	123 Å²	123	124.5 Å²	124.5	80%	0.799	81%	0.811	S	S	*	*	P	Polyproline II helix	trans	-65.4	122.7	-176.5	25.7	-31.2	0	0	0	110	L247	P245-L247 PolarHBondContact O-N 3.04Å
246	Q	38.9	Very low	40.2	Very low	189 Å²	189	127.1 Å²	127.1	88%	0.883	82%	0.818	S	S	*	*	P	Polyproline II helix	trans	-67.3	123.9	175	-72.7	179.6	-19.7	0	0	109.5	S244 E248	S244-Q246 PolarHBondContact O-N 3.04Å; Q246-E248 PolarHBondContact O-N 3.21Å
247	L	40	Very low	40.3	Very low	167 Å²	167	128.2 Å²	128.2	87%	0.874	82%	0.816	S	S	*	*	P	Polyproline II helix	trans	-62.6	120.7	162.9	-93.9	90.3	0	0	0	108.8	P245 S249	P245-L247 PolarHBondContact O-N 3.04Å; L247-S249 PolarHBondContact O-N 3.08Å
248	E	36.9	Very low	40.1	Very low	200 Å²	200	127 Å²	127	94%	0.935	81%	0.813	S	S	*	*	P	Polyproline II helix	trans	-65.5	123.2	164	-76.3	-178.1	153	0	0	109.3	Q246	Q246-E248 PolarHBondContact O-N 3.21Å
249	S	35.5	Very low	39.9	Very low	121 Å²	121	129.2 Å²	129.2	85%	0.846	82%	0.817	S	S	*	*			trans	-104.5	143.8	171.2	53.2	0	0	0	0	110	L247	L247-S249 PolarHBondContact O-N 3.08Å
250	A	37.5	Very low	39.7	Very low	104 Å²	104	130 Å²	130	86%	0.86	82%	0.817	S	S	*	*	P	Polyproline II helix	trans	-61.6	147	-163.8	0	0	0	0	0	116.2
251	G	35	Very low	40.2	Very low	70 Å²	70	130.6 Å²	130.6	72%	0.722	82%	0.821	S	S	*	*	P	Polyproline II helix	trans	-100	148.7	159	0	0	0	0	0	111.3
252	P	45.8	Very low	40.6	Very low	123 Å²	123	130.8 Å²	130.8	80%	0.799	82%	0.822	S	S	*	*	P	Polyproline II helix	trans	-92.8	146	-170.6	35.3	-32.3	0	0	0	114.5
253	D	39.8	Very low	40.7	Very low	155 Å²	155	131.3 Å²	131.3	83%	0.829	83%	0.826	S	S	*	*			trans	42.2	115.7	147.3	-70.2	-21.2	0	0	0	121.2
254	Q	36.2	Very low	40.8	Very low	202 Å²	202	129.9 Å²	129.9	94%	0.944	82%	0.819	S	S	*	*				-139.9	130.6	121.5	-73.2	-163.5	-4.6	0	0	111.1
255	A	35.3	Very low	40.7	Very low	95 Å²	95	136.2 Å²	136.2	79%	0.785	83%	0.829	S	S	*	*			trans	-77.5	156.6	-174.7	0	0	0	0	0	113.8
256	L	38.4	Very low	40.9	Very low	173 Å²	173	139.2 Å²	139.2	91%	0.906	83%	0.83	S	S	*	*				-169.5	144.8	128.8	-95	170	0	0	0	109.9
257	P	48.1	Very low	41.6	Very low	126 Å²	126	135.3 Å²	135.3	82%	0.818	82%	0.82	S	S	*	*			trans	-100.8	148.1	-169.2	37.4	-30.5	0	0	0	113
258	G	37	Very low	42.3	Very low	68 Å²	68	136.1 Å²	136.1	70%	0.701	82%	0.82	S	S	*	*			trans	-172.1	76.8	177.7	0	0	0	0	0	114.8
259	T	37.6	Very low	43.7	Very low	133 Å²	133	135.8 Å²	135.8	82%	0.816	84%	0.835	S	S	*	*			trans	39	128.3	141.5	59.3	0	0	0	0	122.2
260	S	38.8	Very low	44.1	Very low	118 Å²	118	136.5 Å²	136.5	83%	0.825	83%	0.834	S	S	*	*			trans	95.2	133.1	136.5	74.3	0	0	0	0	120.1
261	S	45.3	Very low	44.5	Very low	117 Å²	117	138.2 Å²	138.2	82%	0.818	83%	0.833	S	S	*	*			trans	-87.8	-161.1	-163.7	-46	0	0	0	0	113.6
262	P	52	Low	45	Very low	126 Å²	126	142 Å²	142	82%	0.818	84%	0.839	S	S	*	*				-109.6	162.6	-110.8	34.5	-15.8	0	0	0	112.6
263	S	46.7	Very low	45	Very low	116 Å²	116	143.1 Å²	143.1	81%	0.811	84%	0.841	S	S	*	*			trans	-148.1	112.5	160.5	-166.4	0	0	0	0	113.2
264	S	43.8	Very low	45.3	Very low	101 Å²	101	142.4 Å²	142.4	71%	0.706	84%	0.842	S	S	*	*			trans	-40.4	140	155.1	48.7	0	0	0	0	114.2
265	Y	44.2	Very low	45.9	Very low	234 Å²	234	138.4 Å²	138.4	92%	0.918	84%	0.835	S	S	*	*				-165.1	139.1	119.1	-148.6	-109.7	0	0	0	111.5
266	K	46.2	Very low	46.7	Very low	186 Å²	186	141.5 Å²	141.5	81%	0.809	84%	0.839	S	S	*	*			trans	-95.3	172.3	179.8	-111.1	-167.3	179.7	-178.2	0	110.4
267	P	54.3	Low	47.3	Very low	106 Å²	106	139.1 Å²	139.1	69%	0.688	83%	0.834	S	S	*	*			trans	-94.7	171	-154.3	39.4	-37.7	0	0	0	114.2
268	E	54.5	Low	47.2	Very low	185 Å²	185	140.2 Å²	140.2	86%	0.864	84%	0.835	S	S	*	*			trans	167	165.6	133.7	-95.9	178.9	-166.7	0	0	111.2
269	P	66.3	Low	48.2	Very low	192 Å²	192	146.7 Å²	146.7	100%	1.247	85%	0.847	S	S	*	*			cis	-113.2	0	-12.5	29	-11.8	0	0	0	114.4

Retrieved 269 of 269 residues in 424.4 ms (Link to these results)

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