A0A068BET0_MOUSE Loading...

Putative MHC class II antigen E beta 1 isoform 2

AlphaFold DB , UniProt , Accession A0A068BET0, Species MOUSE (Mus musculus, Mouse), Gene H2-Eb1, Length 188 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	38.6	Very low	58.3	Low	245 Å²	245	144.4 Å²	144.4	100%	1.207	74%	0.738	S	S	*	*				0	150.5	0	-86.8	92.5	172.6	0	0	109.2
2	M	41.1	Very low	60.3	Low	186 Å²	186	135.8 Å²	135.8	92%	0.916	70%	0.704	S	S	*	*			trans	-52.3	138.8	-150.6	-76	126	73	0	0	119.3
3	W	37.1	Very low	61.8	Low	239 Å²	239	131.3 Å²	131.3	91%	0.905	69%	0.687	S	S	*	*			trans	-62.5	126.7	161.6	-148.9	-46.8	0	0	0	110.2	P5	W3-P5 WeakPolarHBondContact O-CD 3.43Å
4	L	43.6	Very low	63	Low	166 Å²	166	128.8 Å²	128.8	87%	0.869	67%	0.673	S	S	*	*			trans	-99.3	98	163.8	-85.2	151.8	0	0	0	107.3
5	P	55.7	Low	63.9	Low	90 Å²	90	127.4 Å²	127.4	58%	0.584	67%	0.666	S	S	*	*			trans	-71.5	148.4	177.3	32	-31.6	0	0	0	108.9	W3 V7	W3-P5 WeakPolarHBondContact O-CD 3.43Å; P5-V7 PolarHBondContact O-N 3.48Å
6	R	61.4	Low	64.9	Low	246 Å²	246	125.8 Å²	125.8	93%	0.928	66%	0.657	S	S	*	*			trans	-36.7	88.7	174.7	-66.1	172.2	156.5	98.5	-0.2	113.5	P8	R6-P8 WeakPolarHBondContact O-CD 3.41Å
7	V	58.8	Low	65.4	Low	88 Å²	88	124.3 Å²	124.3	53%	0.533	65%	0.649	S	S	.	*			trans	-81.8	114.2	162.9	-175.9	0	0	0	0	105.6	P5 A11	P5-V7 PolarHBondContact O-N 3.48Å; V7-A11 HydrophobicContact CG1-CB 3.55Å
8	P	73.5	Confident	66	Low	86 Å²	86	122.4 Å²	122.4	56%	0.558	64%	0.644	S	S	*	*			trans	-59.1	144.6	178.8	23.5	-31.5	0	0	0	109.2	R6 V10 A11 A12	R6-P8 WeakPolarHBondContact O-CD 3.41Å; P8-V10 PolarHBondContact O-N 3.39Å; P8-A11 HydrophobicContact CG-CB 4.03Å; P8-A11 WeakPolarHBondContact O-CB 3.31Å; P8-A11 PolarHBondContact O-N 3.44Å; P8-A12 PolarHBondContact O-N 3.41Å
9	C	74.1	Confident	66.5	Low	108 Å²	108	122.1 Å²	122.1	73%	0.73	65%	0.648	S	S	*	*	H	α-helix	trans	-50	-32.1	-177	-63.3	0	0	0	0	112.7	A11 A12 V13	C9-A11 PolarHBondContact O-N 2.84Å; C9-A12 PolarHBondContact O-N 2.8Å; C9-V13 VanDerWaalsContact O-CG2 3.25Å; C9-V13 WeakPolarHBondContact O-CG2 3.48Å; C9-V13 PolarHBondContact O-N 2.63Å
10	V	78.2	Confident	66.7	Low	102 Å²	102	122.7 Å²	122.7	62%	0.618	65%	0.65	S	S	*	*	H	α-helix	trans	-61.6	-41.4	176.1	-173.3	0	0	0	0	112.4	P8 V13 I14	P8-V10 PolarHBondContact O-N 3.39Å; V10-V13 PolarHBondContact O-N 2.66Å; V10-I14 HydrophobicContact CG1-CD1 4Å; V10-I14 VanDerWaalsContact O-CG1 3.25Å; V10-I14 WeakPolarHBondContact O-CG1 3.46Å; V10-I14 PolarHBondContact O-N 3.17Å
11	A	79.6	Confident	66.9	Low	32 Å²	32	119.6 Å²	119.6	26%	0.264	64%	0.639	S	S	.	*	H	α-helix	trans	-71.4	-35.9	178.7	0	0	0	0	0	112	V7 P8 C9 I14 L15	V7-A11 HydrophobicContact CG1-CB 3.55Å; P8-A11 HydrophobicContact CG-CB 4.03Å; P8-A11 WeakPolarHBondContact O-CB 3.31Å; P8-A11 PolarHBondContact O-N 3.44Å; C9-A11 PolarHBondContact O-N 2.84Å; A11-I14 PolarHBondContact O-N 2.75Å; A11-L15 WeakPolarHBondContact O-CB 3.45Å; A11-L15 VanDerWaalsContact O-CG 3.31Å; A11-L15 WeakPolarHBondContact O-CG 3.45Å; A11-L15 PolarHBondContact O-N 2.8Å
12	A	81.4	Confident	68.1	Low	41 Å²	41	112 Å²	112	34%	0.339	61%	0.607	S	S	.	*	H	α-helix	trans	-65.6	-39.9	172.6	0	0	0	0	0	111.8	P8 C9 L15 L16	P8-A12 PolarHBondContact O-N 3.41Å; C9-A12 PolarHBondContact O-N 2.8Å; A12-L15 PolarHBondContact O-N 2.72Å; A12-L16 WeakPolarHBondContact O-CB 3.08Å; A12-L16 PolarHBondContact O-N 3.46Å
13	V	80.3	Confident	69.1	Low	78 Å²	78	106.9 Å²	106.9	47%	0.473	59%	0.588	S	S	.	*	H	α-helix	trans	-66.5	-42.7	175.5	171	0	0	0	0	111.3	C9 V10 L15 L16 L17	C9-V13 VanDerWaalsContact O-CG2 3.25Å; C9-V13 WeakPolarHBondContact O-CG2 3.48Å; C9-V13 PolarHBondContact O-N 2.63Å; V10-V13 PolarHBondContact O-N 2.66Å; V13-L15 PolarHBondContact O-N 2.94Å; V13-L16 PolarHBondContact O-N 3.41Å; V13-L17 HydrophobicContact CG1-CD1 3.78Å; V13-L17 HydrophobicContact CG1-CG 4.18Å; V13-L17 WeakPolarHBondContact O-CB 3.47Å; V13-L17 WeakPolarHBondContact O-CG 3.25Å; V13-L17 PolarHBondContact O-N 2.95Å
14	I	78.6	Confident	69.9	Low	96 Å²	96	101.9 Å²	101.9	49%	0.492	58%	0.584	S	S	.	*	H	α-helix	trans	-61	-45.6	175.4	-69.6	165	0	0	0	110.5	V10 A11 L17 T18	V10-I14 HydrophobicContact CG1-CD1 4Å; V10-I14 VanDerWaalsContact O-CG1 3.25Å; V10-I14 WeakPolarHBondContact O-CG1 3.46Å; V10-I14 PolarHBondContact O-N 3.17Å; A11-I14 PolarHBondContact O-N 2.75Å; I14-L17 PolarHBondContact O-N 3.16Å; I14-T18 HydrophobicContact CG2-CG2 4.46Å; I14-T18 WeakPolarHBondContact O-CG2 3.27Å; I14-T18 PolarHBondContact O-N 3.24Å; I14-T18 PolarHBondContact O-OG1 2.8Å
15	L	76.8	Confident	70.3	Confident	108 Å²	108	97.9 Å²	97.9	57%	0.565	58%	0.575	S	S	*	*	H	α-helix	trans	-63.2	-45	177.8	-72.2	170.6	0	0	0	111.8	A11 A12 V13 L17 T18 V19	A11-L15 WeakPolarHBondContact O-CB 3.45Å; A11-L15 VanDerWaalsContact O-CG 3.31Å; A11-L15 WeakPolarHBondContact O-CG 3.45Å; A11-L15 PolarHBondContact O-N 2.8Å; A12-L15 PolarHBondContact O-N 2.72Å; V13-L15 PolarHBondContact O-N 2.94Å; L15-L17 PolarHBondContact O-N 2.93Å; L15-T18 WeakPolarHBondContact CA-OG1 3.25Å; L15-T18 PolarHBondContact O-N 2.85Å; L15-T18 PolarHBondContact O-OG1 2.92Å; L15-V19 WeakPolarHBondContact O-CB 3.46Å; L15-V19 VanDerWaalsContact O-CG2 3.23Å; L15-V19 WeakPolarHBondContact O-CG2 3.28Å; L15-V19 PolarHBondContact O-N 2.89Å
16	L	79	Confident	70.3	Confident	101 Å²	101	99.8 Å²	99.8	53%	0.529	58%	0.579	S	S	.	*	H	α-helix	trans	-59.7	-44	174	-88.8	160.1	0	0	0	111.8	A12 V13 T18 V19 L20	A12-L16 WeakPolarHBondContact O-CB 3.08Å; A12-L16 PolarHBondContact O-N 3.46Å; V13-L16 PolarHBondContact O-N 3.41Å; L16-T18 PolarHBondContact O-N 3.46Å; L16-V19 PolarHBondContact O-N 3.01Å; L16-L20 HydrophobicContact CD2-CD1 3.65Å; L16-L20 VanDerWaalsContact O-CB 3.32Å; L16-L20 WeakPolarHBondContact O-CB 3.46Å; L16-L20 WeakPolarHBondContact O-CD1 3.43Å; L16-L20 PolarHBondContact O-N 2.86Å
17	L	74.9	Confident	70.1	Confident	101 Å²	101	93.8 Å²	93.8	53%	0.529	57%	0.57	S	S	.	*	H	α-helix	trans	-64.6	-38.6	177	-72	172.7	0	0	0	111.5	V13 I14 L15 V19 S21	V13-L17 HydrophobicContact CG1-CD1 3.78Å; V13-L17 HydrophobicContact CG1-CG 4.18Å; V13-L17 WeakPolarHBondContact O-CB 3.47Å; V13-L17 WeakPolarHBondContact O-CG 3.25Å; V13-L17 PolarHBondContact O-N 2.95Å; I14-L17 PolarHBondContact O-N 3.16Å; L15-L17 PolarHBondContact O-N 2.93Å; L17-V19 VanDerWaalsContact C-N 3.33Å; L17-V19 PolarHBondContact O-N 3.09Å; L17-S21 WeakPolarHBondContact O-CA 3.38Å; L17-S21 WeakPolarHBondContact O-CB 3.2Å; L17-S21 PolarHBondContact O-N 3.42Å; L17-S21 PolarHBondContact O-OG 3.43Å
18	T	75.4	Confident	69.9	Low	91 Å²	91	99.8 Å²	99.8	56%	0.558	58%	0.583	S	S	*	*	H	α-helix	trans	-72.4	-24.6	176.6	56	0	0	0	0	114	I14 L15 L16	I14-T18 HydrophobicContact CG2-CG2 4.46Å; I14-T18 WeakPolarHBondContact O-CG2 3.27Å; I14-T18 PolarHBondContact O-N 3.24Å; I14-T18 PolarHBondContact O-OG1 2.8Å; L15-T18 WeakPolarHBondContact CA-OG1 3.25Å; L15-T18 PolarHBondContact O-N 2.85Å; L15-T18 PolarHBondContact O-OG1 2.92Å; L16-T18 PolarHBondContact O-N 3.46Å
19	V	75.9	Confident	69.1	Low	116 Å²	116	99.7 Å²	99.7	70%	0.703	58%	0.577	S	S	*	*	H	α-helix	trans	-90.6	-37.6	179.5	172.4	0	0	0	0	111.8	L15 L16 L17	L15-V19 WeakPolarHBondContact O-CB 3.46Å; L15-V19 VanDerWaalsContact O-CG2 3.23Å; L15-V19 WeakPolarHBondContact O-CG2 3.28Å; L15-V19 PolarHBondContact O-N 2.89Å; L16-V19 PolarHBondContact O-N 3.01Å; L17-V19 VanDerWaalsContact C-N 3.33Å; L17-V19 PolarHBondContact O-N 3.09Å
20	L	70.1	Confident	68.1	Low	133 Å²	133	99.8 Å²	99.8	70%	0.696	58%	0.58	S	S	*	*	H	α-helix	trans	-87.3	-23.3	177.5	-89.4	81	0	0	0	113.4	L16	L16-L20 HydrophobicContact CD2-CD1 3.65Å; L16-L20 VanDerWaalsContact O-CB 3.32Å; L16-L20 WeakPolarHBondContact O-CB 3.46Å; L16-L20 WeakPolarHBondContact O-CD1 3.43Å; L16-L20 PolarHBondContact O-N 2.86Å
21	S	70	Confident	67.4	Low	59 Å²	59	103.6 Å²	103.6	41%	0.413	58%	0.583	S	S	.	*	S	Bend	trans	-78.7	127.8	168.6	-52.7	0	0	0	0	107.6	L17	L17-S21 WeakPolarHBondContact O-CA 3.38Å; L17-S21 WeakPolarHBondContact O-CB 3.2Å; L17-S21 PolarHBondContact O-N 3.42Å; L17-S21 PolarHBondContact O-OG 3.43Å
22	P	64	Low	66.3	Low	84 Å²	84	106.5 Å²	106.5	55%	0.545	60%	0.599	S	S	.	*	P	Polyproline II helix	trans	-49.8	133.7	161.4	-17.7	28.6	0	0	0	107.1	V24 L26	P22-V24 PolarHBondContact O-N 2.56Å; P22-L26 HydrophobicContact CB-CB 4.46Å; P22-L26 HydrophobicContact CB-CD1 4.29Å
23	P	61.9	Low	65.6	Low	80 Å²	80	112.5 Å²	112.5	52%	0.519	61%	0.613	S	S	.	*	P	Polyproline II helix	trans	-50.4	134.5	171.8	21.7	-32.4	0	0	0	106.9	A25 L26	P23-A25 HydrophobicContact CB-CB 4.19Å; P23-A25 CarbonylContact O-C 3.6Å; P23-A25 PolarHBondContact O-N 3Å; P23-L26 HydrophobicContact CG-CD1 4.06Å; P23-L26 HydrophobicContact CG-CG 4.15Å; P23-L26 PolarHBondContact O-N 2.86Å
24	V	55.1	Low	64.9	Low	133 Å²	133	113 Å²	113	81%	0.806	61%	0.608	S	S	*	*	G	3₁₀ helix	trans	-55.1	-9	176.4	-179.3	0	0	0	0	111.6	P22 L26	P22-V24 PolarHBondContact O-N 2.56Å; V24-L26 VanDerWaalsContact C-N 3.33Å
25	A	52.6	Low	64.6	Low	83 Å²	83	111.6 Å²	111.6	69%	0.686	60%	0.602	S	S	*	*	G	3₁₀ helix	trans	-66.3	-18.9	165.4	0	0	0	0	0	115.8	P23	P23-A25 HydrophobicContact CB-CB 4.19Å; P23-A25 CarbonylContact O-C 3.6Å; P23-A25 PolarHBondContact O-N 3Å
26	L	54.7	Low	64.5	Low	130 Å²	130	106.7 Å²	106.7	68%	0.681	58%	0.576	S	S	*	*	G	3₁₀ helix	trans	-90.9	0.1	176.9	-75.4	173.7	0	0	0	113.8	P22 P23 V24	P22-L26 HydrophobicContact CB-CB 4.46Å; P22-L26 HydrophobicContact CB-CD1 4.29Å; P23-L26 HydrophobicContact CG-CD1 4.06Å; P23-L26 HydrophobicContact CG-CG 4.15Å; P23-L26 PolarHBondContact O-N 2.86Å; V24-L26 VanDerWaalsContact C-N 3.33Å
27	V	56.9	Low	64.1	Low	119 Å²	119	104 Å²	104	72%	0.721	56%	0.559	S	S	*	*	S	Bend	trans	-109.3	30.1	176.7	-175.1	0	0	0	0	111
28	R	55.9	Low	64.2	Low	214 Å²	214	99.4 Å²	99.4	81%	0.808	54%	0.536	S	S	*	.			trans	-129.1	94.7	156.5	-70.4	-173.1	178.5	156.1	-0.1	105.7	S30	R28-S30 PolarHBondContact O-N 2.98Å
29	D	55.3	Low	64.1	Low	84 Å²	84	95.8 Å²	95.8	45%	0.449	51%	0.513	S	S	.	.			trans	-59	89.9	159	-176.8	21.8	0	0	0	106.7	R31 R33	D29-R31 PolarHBondContact O-N 2.76Å; D29-R31 WeakPolarHBondContact OD1-CB 3.49Å; D29-R31 WeakPolarHBondContact OD1-CD 3.3Å; D29-R31 WeakPolarHBondContact OD1-CG 3.46Å; D29-R31 IonicContact OD1-NE 3.64Å; D29-R33 IonicContact OD2-CZ 3.54Å; D29-R33 IonicContact OD2-NE 3.73Å; D29-R33 PolarHBondContact OD2-NE 3.41Å; D29-R33 IonicContact OD2-NH2 2.74Å; D29-R33 PolarHBondContact OD2-NH2 2.85Å
30	S	54.5	Low	64.2	Low	111 Å²	111	90.7 Å²	90.7	78%	0.776	48%	0.483	S	S	*	.			trans	-89.1	16.3	-179.3	60.6	0	0	0	0	111.3	R28	R28-S30 PolarHBondContact O-N 2.98Å
31	R	63.5	Low	64.7	Low	182 Å²	182	85.9 Å²	85.9	69%	0.687	46%	0.457	S	S	*	.	S	Bend	trans	-56.6	132.6	168.9	-69.8	178.2	-166.8	-172.3	4.8	107.6	D29 R33	D29-R31 PolarHBondContact O-N 2.76Å; D29-R31 WeakPolarHBondContact OD1-CB 3.49Å; D29-R31 WeakPolarHBondContact OD1-CD 3.3Å; D29-R31 WeakPolarHBondContact OD1-CG 3.46Å; D29-R31 IonicContact OD1-NE 3.64Å; R31-R33 PolarHBondContact O-N 2.9Å
32	P	54.8	Low	65.2	Low	92 Å²	92	83.2 Å²	83.2	60%	0.597	44%	0.438	S	S	*	.			trans	-59.9	109.2	170.6	25.6	-31	0	0	0	107.1	F34	P32-F34 HydrophobicContact CB-CE2 4.27Å; P32-F34 HydrophobicContact CB-CZ 4.36Å; P32-F34 HydrophobicContact CG-CE2 4.33Å; P32-F34 PolarHBondContact O-N 2.84Å
33	R	66.6	Low	66.2	Low	168 Å²	168	82.4 Å²	82.4	63%	0.634	43%	0.427	S	S	*	.			trans	-87.6	108.8	174.6	-67	-172.1	-177.1	-179.7	-1.3	106.9	D29 R31 N60	D29-R33 IonicContact OD2-CZ 3.54Å; D29-R33 IonicContact OD2-NE 3.73Å; D29-R33 PolarHBondContact OD2-NE 3.41Å; D29-R33 IonicContact OD2-NH2 2.74Å; D29-R33 PolarHBondContact OD2-NH2 2.85Å; R31-R33 PolarHBondContact O-N 2.9Å; R33-N60 PolarHBondContact O-OD1 2.72Å
34	F	67.1	Low	67.1	Low	87 Å²	87	80.8 Å²	80.8	38%	0.382	41%	0.412	S	S	.	.			trans	-76.6	121.9	167.4	-60.4	-77.1	0	0	0	107.7	P32 Y59 V149	P32-F34 HydrophobicContact CB-CE2 4.27Å; P32-F34 HydrophobicContact CB-CZ 4.36Å; P32-F34 HydrophobicContact CG-CE2 4.33Å; P32-F34 PolarHBondContact O-N 2.84Å; F34-Y59 HydrophobicContact CD1-CE2 4.41Å; F34-Y59 AromaticContact CD1-CZ 3.87Å; F34-Y59 WeakPolarHBondContact CD1-OH 3.39Å; F34-Y59 WeakPolarHBondContact CE1-OH 3.29Å; F34-V149 HydrophobicContact CB-CG1 4.46Å
35	L	72.5	Confident	68.4	Low	68 Å²	68	79 Å²	79	36%	0.356	39%	0.391	S	S	.	.			trans	-117.7	111.1	177.6	-179.2	69.6	0	0	0	108.5	Y37 N60 I143	L35-Y37 HydrophobicContact CD2-CD1 3.97Å; L35-Y37 HydrophobicContact CD2-CE1 4.15Å; L35-Y37 HydrophobicContact CG-CD1 3.95Å; L35-N60 PolarHBondContact N-OD1 2.82Å; L35-N60 PolarHBondContact O-N 3.4Å; L35-I143 HydrophobicContact CD1-CG2 3.72Å
36	E	73.4	Confident	69.8	Low	4 Å²	4	81.9 Å²	81.9	2%	0.019	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	133.8	167.5	-171.5	174.4	172.8	0	0	108.2	F58 Y64 C144 V149 S152 W153	E36-F58 WeakPolarHBondContact CA-O 3.37Å; E36-Y64 PolarHBondContact OE1-OH 3.03Å; E36-C144 HydrophobicContact CB-CB 4.24Å; E36-C144 WeakPolarHBondContact O-CB 3.2Å; E36-C144 PolarHBondContact O-N 3.4Å; E36-V149 HydrophobicContact CB-CG2 3.75Å; E36-S152 PolarHBondContact OE1-OG 2.95Å; E36-S152 VanDerWaalsContact OE2-CB 3.25Å; E36-S152 WeakPolarHBondContact OE2-CB 3.41Å; E36-S152 PolarHBondContact OE2-OG 2.76Å; E36-W153 PolarHBondContact OE2-NE1 3.36Å
37	Y	70.8	Confident	70.7	Confident	45 Å²	45	77.6 Å²	77.6	18%	0.176	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.4	152.4	175.2	67.2	-84.3	0	0	0	109.4	L35 T39 F58 V141 H142	L35-Y37 HydrophobicContact CD2-CD1 3.97Å; L35-Y37 HydrophobicContact CD2-CE1 4.15Å; L35-Y37 HydrophobicContact CG-CD1 3.95Å; Y37-T39 HydrophobicContact CD2-CG2 4.09Å; Y37-T39 HydrophobicContact CE2-CG2 4.08Å; Y37-F58 HydrophobicContact CD1-CB 3.79Å; Y37-F58 HydrophobicContact CD2-CB 4.12Å; Y37-F58 AromaticContact CD2-CD2 3.71Å; Y37-F58 HydrophobicContact CD2-CD2 3.71Å; Y37-F58 HydrophobicContact CD2-CE2 4.43Å; Y37-F58 HydrophobicContact CD2-CG 4.15Å; Y37-F58 HydrophobicContact CE1-CB 3.43Å; Y37-F58 VanDerWaalsContact CE1-CB 3.43Å; Y37-F58 HydrophobicContact CE1-CG 4.02Å; Y37-F58 HydrophobicContact CE2-CB 3.76Å; Y37-F58 HydrophobicContact CE2-CD1 4.21Å; Y37-F58 AromaticContact CE2-CD2 3.27Å; Y37-F58 HydrophobicContact CE2-CD2 3.27Å; Y37-F58 AromaticContact CE2-CE2 3.83Å; Y37-F58 HydrophobicContact CE2-CE2 3.83Å; Y37-F58 AromaticContact CE2-CG 3.49Å; Y37-F58 HydrophobicContact CE2-CG 3.49Å; Y37-F58 VanDerWaalsContact CE2-CG 3.49Å; Y37-F58 HydrophobicContact CE2-CZ 4.46Å; Y37-F58 HydrophobicContact CG-CB 4.13Å; Y37-F58 HydrophobicContact CG-CD2 4.47Å; Y37-F58 AromaticContact CZ-CD1 3.91Å; Y37-F58 AromaticContact CZ-CD2 3.76Å; Y37-F58 AromaticContact CZ-CG 3.42Å; Y37-F58 VanDerWaalsContact CZ-CG 3.42Å; Y37-F58 PolarHBondContact N-O 3.42Å; Y37-F58 VanDerWaalsContact N-O 3.07Å; Y37-F58 WeakPolarHBondContact O-CB 3.38Å; Y37-F58 PolarHBondContact O-N 2.04Å; Y37-F58 WeakPolarHBondContact OH-CD1 3.37Å; Y37-F58 WeakPolarHBondContact OH-CG 3.48Å; Y37-V141 HydrophobicContact CD2-CG1 4.27Å; Y37-H142 CarbonylContact C-O 3.43Å; Y37-H142 WeakPolarHBondContact CA-O 3.28Å; Y37-H142 WeakPolarHBondContact CB-O 3.28Å
38	S	76.4	Confident	71.3	Confident	5 Å²	5	76.6 Å²	76.6	4%	0.035	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	155	170.3	66.9	0	0	0	0	111.1	R56 V141 H142	S38-R56 CarbonylContact C-O 3.59Å; S38-R56 WeakPolarHBondContact CA-O 3.45Å; S38-R56 WeakPolarHBondContact CB-O 3.49Å; S38-V141 WeakPolarHBondContact O-CA 3.31Å; S38-H142 PolarHBondContact N-O 2.83Å; S38-H142 PolarHBondContact O-N 3.13Å
39	T	74.6	Confident	72.1	Confident	15 Å²	15	73.9 Å²	73.9	9%	0.092	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	129.4	173.1	65.5	0	0	0	0	109.4	Y37 D55 R56 F58 T140 V141	Y37-T39 HydrophobicContact CD2-CG2 4.09Å; Y37-T39 HydrophobicContact CE2-CG2 4.08Å; T39-D55 WeakPolarHBondContact O-CA 3.38Å; T39-R56 PolarHBondContact N-O 3.1Å; T39-R56 PolarHBondContact O-N 2.77Å; T39-F58 HydrophobicContact CG2-CD2 4.39Å; T39-F58 HydrophobicContact CG2-CE2 3.81Å; T39-F58 WeakPolarHBondContact OG1-CE2 3.5Å; T39-T140 CarbonylContact C-O 3.57Å; T39-T140 VanDerWaalsContact CA-O 3.3Å; T39-T140 WeakPolarHBondContact CA-O 3.33Å; T39-V141 HydrophobicContact CG2-CG1 4.24Å; T39-V141 HydrophobicContact CG2-CG2 4.03Å
40	S	77.9	Confident	73.3	Confident	8 Å²	8	76.4 Å²	76.4	6%	0.056	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	106.3	177.4	-54	0	0	0	0	107.5	L54 D55 S139 T140	S40-L54 CarbonylContact C-O 3.48Å; S40-L54 WeakPolarHBondContact CA-O 3.44Å; S40-D55 PolarHBondContact OG-OD1 2.86Å; S40-S139 CarbonylContact O-C 3.54Å; S40-S139 WeakPolarHBondContact O-CA 3.46Å; S40-T140 PolarHBondContact N-O 3.47Å; S40-T140 PolarHBondContact O-N 2.71Å
41	E	79.6	Confident	74.7	Confident	32 Å²	32	72.2 Å²	72.2	15%	0.15	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	140	-173.8	-55.6	174.5	-156.8	0	0	110.9	H43 F53 L54 R56 E138	E41-H43 IonicContact OE2-CE1 3.16Å; E41-H43 IonicContact OE2-NE2 3.2Å; E41-H43 PolarHBondContact OE2-NE2 3.2Å; E41-F53 WeakPolarHBondContact O-CA 3.07Å; E41-F53 WeakPolarHBondContact O-CD2 3.21Å; E41-L54 HydrophobicContact CB-CB 4.22Å; E41-L54 PolarHBondContact N-O 3.47Å; E41-L54 PolarHBondContact O-N 3.19Å; E41-R56 WeakPolarHBondContact OE1-CD 3.4Å; E41-R56 IonicContact OE1-CZ 3.74Å; E41-R56 IonicContact OE1-NH1 2.95Å; E41-R56 PolarHBondContact OE1-NH1 3.2Å; E41-E138 WeakPolarHBondContact CA-O 3.2Å
42	C	82.1	Confident	75.8	Confident	3 Å²	3	66.6 Å²	66.6	2%	0.02	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	114.9	176.8	-61.1	0	0	0	0	109.8	F44 V51 P132 C133 V137 E138	C42-F44 HydrophobicContact CB-CD2 4.43Å; C42-F44 HydrophobicContact CB-CE2 3.65Å; C42-F44 HydrophobicContact CB-CZ 3.92Å; C42-F44 WeakPolarHBondContact O-CD2 3.5Å; C42-V51 HydrophobicContact CB-CG1 4.42Å; C42-P132 VanDerWaalsContact SG-C 3.59Å; C42-C133 HydrophobicContact CB-CB 3.91Å; C42-C133 WeakPolarHBondContact CB-SG 3.48Å; C42-C133 WeakPolarHBondContact SG-CA 3.44Å; C42-C133 WeakPolarHBondContact SG-CB 3.5Å; C42-C133 PolarHBondContact SG-N 2.86Å; C42-C133 VanDerWaalsContact SG-N 3.42Å; C42-C133 CovalentContact SG-SG 2.04Å; C42-C133 PolarHBondContact SG-SG 2.8Å; C42-V137 WeakPolarHBondContact CB-O 3.47Å; C42-E138 PolarHBondContact N-O 2.88Å
43	H	83.4	Confident	77.3	Confident	68 Å²	68	62.5 Å²	62.5	32%	0.315	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	109.9	-179.6	-66.8	-91.7	0	0	0	109.5	E41 Y45 V51 R52	E41-H43 IonicContact OE2-CE1 3.16Å; E41-H43 IonicContact OE2-NE2 3.2Å; E41-H43 PolarHBondContact OE2-NE2 3.2Å; H43-Y45 HydrophobicContact CB-CE2 4.2Å; H43-V51 WeakPolarHBondContact O-CA 3.43Å; H43-R52 HydrophobicContact CB-CB 4.22Å; H43-R52 PolarHBondContact N-O 3.33Å; H43-R52 PolarHBondContact O-N 3.39Å
44	F	82.6	Confident	78.2	Confident	46 Å²	46	55.5 Å²	55.5	20%	0.202	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	115.3	-177.4	-67.7	-81.4	0	0	0	110.7	C42 G47 T48 V51 E138	C42-F44 HydrophobicContact CB-CD2 4.43Å; C42-F44 HydrophobicContact CB-CE2 3.65Å; C42-F44 HydrophobicContact CB-CZ 3.92Å; C42-F44 WeakPolarHBondContact O-CD2 3.5Å; F44-G47 VanDerWaalsContact CB-O 3.31Å; F44-G47 WeakPolarHBondContact CB-O 3.41Å; F44-T48 HydrophobicContact CD1-CG2 4.36Å; F44-T48 HydrophobicContact CE1-CG2 4.45Å; F44-V51 HydrophobicContact CD1-CB 4.46Å; F44-V51 HydrophobicContact CD1-CG1 4.24Å; F44-V51 HydrophobicContact CD1-CG2 3.57Å; F44-V51 HydrophobicContact CE1-CB 4.44Å; F44-V51 HydrophobicContact CE1-CG1 3.94Å; F44-V51 HydrophobicContact CE1-CG2 3.62Å; F44-V51 HydrophobicContact CZ-CG1 4.36Å; F44-E138 HydrophobicContact CD2-CG 4.36Å
45	Y	81.3	Confident	79	Confident	94 Å²	94	52 Å²	52	37%	0.369	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	127.1	174.8	-56.8	-79.9	0	0	0	110.2	H43 G47 R50 R52	H43-Y45 HydrophobicContact CB-CE2 4.2Å; Y45-G47 PolarHBondContact O-N 2.76Å; Y45-R50 HydrophobicContact CD2-CG 4.16Å; Y45-R50 PolarHBondContact N-O 3.21Å; Y45-R50 PolarHBondContact O-N 2.97Å; Y45-R52 HydrophobicContact CE2-CB 4.01Å
46	N	82.8	Confident	79.5	Confident	144 Å²	144	51.8 Å²	51.8	77%	0.77	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.7	48.7	-177.2	-59.4	-37.6	0	0	0	112.6
47	G	72.6	Confident	79.8	Confident	40 Å²	40	52 Å²	52	41%	0.412	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	77.2	-131.4	-172.1	0	0	0	0	0	110.8	F44 Y45	F44-G47 VanDerWaalsContact CB-O 3.31Å; F44-G47 WeakPolarHBondContact CB-O 3.41Å; Y45-G47 PolarHBondContact O-N 2.76Å
48	T	70.1	Confident	80.2	Confident	98 Å²	98	50.6 Å²	50.6	60%	0.601	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	-94	7.1	-179.3	53.1	0	0	0	0	113.9	F44 R50	F44-T48 HydrophobicContact CD1-CG2 4.36Å; F44-T48 HydrophobicContact CE1-CG2 4.45Å; T48-R50 VanDerWaalsContact C-N 3.34Å; T48-R50 PolarHBondContact O-N 3.46Å
49	Q	72.9	Confident	80.2	Confident	158 Å²	158	53.1 Å²	53.1	74%	0.738	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.2	-34.4	-174	-170.3	174.8	30.8	0	0	113.2
50	R	80.1	Confident	80.6	Confident	137 Å²	137	55.5 Å²	55.5	52%	0.517	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	122	172.3	178.8	-178.9	174.1	-171.3	-4.2	108.5	Y45 T48 D70	Y45-R50 HydrophobicContact CD2-CG 4.16Å; Y45-R50 PolarHBondContact N-O 3.21Å; Y45-R50 PolarHBondContact O-N 2.97Å; T48-R50 VanDerWaalsContact C-N 3.34Å; T48-R50 PolarHBondContact O-N 3.46Å; R50-D70 IonicContact NH2-OD1 3Å; R50-D70 PolarHBondContact NH2-OD1 3.31Å; R50-D70 IonicContact NH2-OD2 2.56Å; R50-D70 PolarHBondContact NH2-OD2 3.2Å; R50-D70 VanDerWaalsContact NH2-OD2 3.17Å
51	V	83.6	Confident	80.8	Confident	23 Å²	23	65 Å²	65	14%	0.139	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	132.7	178.3	-175.7	0	0	0	0	107.9	C42 H43 F44 V102 C133	C42-V51 HydrophobicContact CB-CG1 4.42Å; H43-V51 WeakPolarHBondContact O-CA 3.43Å; F44-V51 HydrophobicContact CD1-CB 4.46Å; F44-V51 HydrophobicContact CD1-CG1 4.24Å; F44-V51 HydrophobicContact CD1-CG2 3.57Å; F44-V51 HydrophobicContact CE1-CB 4.44Å; F44-V51 HydrophobicContact CE1-CG1 3.94Å; F44-V51 HydrophobicContact CE1-CG2 3.62Å; F44-V51 HydrophobicContact CZ-CG1 4.36Å; V51-V102 HydrophobicContact CB-CG1 4.09Å; V51-V102 WeakPolarHBondContact O-CG1 3.42Å; V51-C133 HydrophobicContact CG1-CB 4.07Å
52	R	87.7	Confident	81.1	Confident	64 Å²	64	69.2 Å²	69.2	24%	0.242	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	122.5	170.2	175.5	-177.4	179	-159.1	3.4	108.8	H43 Y45 D68 S69 D70	H43-R52 HydrophobicContact CB-CB 4.22Å; H43-R52 PolarHBondContact N-O 3.33Å; H43-R52 PolarHBondContact O-N 3.39Å; Y45-R52 HydrophobicContact CE2-CB 4.01Å; R52-D68 IonicContact CZ-OD1 3.39Å; R52-D68 IonicContact CZ-OD2 3.02Å; R52-D68 IonicContact NE-OD1 2.71Å; R52-D68 PolarHBondContact NE-OD1 3.03Å; R52-D68 IonicContact NE-OD2 2.86Å; R52-D68 PolarHBondContact NE-OD2 3.05Å; R52-D68 IonicContact NH2-OD1 3.69Å; R52-D68 IonicContact NH2-OD2 2.66Å; R52-D68 PolarHBondContact NH2-OD2 2.86Å; R52-S69 WeakPolarHBondContact CA-OG 3.38Å; R52-D70 IonicContact NE-OD2 3.01Å
53	F	84.8	Confident	81.3	Confident	5 Å²	5	70.1 Å²	70.1	2%	0.022	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	132	177	175.7	-118.9	0	0	0	110.2	E41 D55 F67 S69 V102 P132	E41-F53 WeakPolarHBondContact O-CA 3.07Å; E41-F53 WeakPolarHBondContact O-CD2 3.21Å; F53-D55 HydrophobicContact CE1-CB 3.88Å; F53-D55 HydrophobicContact CZ-CB 3.71Å; F53-F67 AromaticContact CD1-CD1 3.91Å; F53-F67 HydrophobicContact CD1-CD1 3.91Å; F53-F67 AromaticContact CD1-CE1 4Å; F53-F67 HydrophobicContact CD1-CE1 4Å; F53-F67 HydrophobicContact CE1-CD1 4.08Å; F53-F67 HydrophobicContact CE1-CE1 4.44Å; F53-S69 PolarHBondContact N-OG 3.35Å; F53-S69 PolarHBondContact O-N 3.17Å; F53-S69 PolarHBondContact O-OG 3.28Å; F53-V102 HydrophobicContact CB-CG2 3.5Å; F53-P132 HydrophobicContact CD2-CG 4.03Å; F53-P132 HydrophobicContact CE1-CG 4.43Å; F53-P132 HydrophobicContact CE2-CB 3.85Å; F53-P132 HydrophobicContact CE2-CG 3.23Å; F53-P132 HydrophobicContact CZ-CB 4.46Å; F53-P132 HydrophobicContact CZ-CG 3.47Å; F53-P132 VanDerWaalsContact CZ-CG 3.47Å
54	L	86.8	Confident	81.1	Confident	21 Å²	21	67 Å²	67	11%	0.11	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	118.1	175.8	-76.7	170.8	0	0	0	109.3	S40 E41 F67 D68	S40-L54 CarbonylContact C-O 3.48Å; S40-L54 WeakPolarHBondContact CA-O 3.44Å; E41-L54 HydrophobicContact CB-CB 4.22Å; E41-L54 PolarHBondContact N-O 3.47Å; E41-L54 PolarHBondContact O-N 3.19Å; L54-F67 WeakPolarHBondContact CA-O 3.22Å; L54-D68 HydrophobicContact CD2-CB 3.7Å
55	D	82.1	Confident	81.2	Confident	13 Å²	13	64.8 Å²	64.8	7%	0.07	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	124.5	172.3	-159.9	30.7	0	0	0	109.2	T39 S40 F53 Y57 R66 F67	T39-D55 WeakPolarHBondContact O-CA 3.38Å; S40-D55 PolarHBondContact OG-OD1 2.86Å; F53-D55 HydrophobicContact CE1-CB 3.88Å; F53-D55 HydrophobicContact CZ-CB 3.71Å; D55-Y57 WeakPolarHBondContact OD2-CE2 3.39Å; D55-Y57 PolarHBondContact OD2-OH 2.84Å; D55-R66 CarbonylContact O-C 3.43Å; D55-R66 WeakPolarHBondContact O-CA 3.28Å; D55-F67 HydrophobicContact CB-CB 4.08Å; D55-F67 PolarHBondContact N-O 3.37Å; D55-F67 PolarHBondContact O-N 2.87Å
56	R	83.8	Confident	81.6	Confident	65 Å²	65	64.9 Å²	64.9	25%	0.245	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	132.8	-168	-55.6	168.8	66.7	-156.9	-0.8	109.7	S38 T39 E41 F58 E63 R66	S38-R56 CarbonylContact C-O 3.59Å; S38-R56 WeakPolarHBondContact CA-O 3.45Å; S38-R56 WeakPolarHBondContact CB-O 3.49Å; T39-R56 PolarHBondContact N-O 3.1Å; T39-R56 PolarHBondContact O-N 2.77Å; E41-R56 WeakPolarHBondContact OE1-CD 3.4Å; E41-R56 IonicContact OE1-CZ 3.74Å; E41-R56 IonicContact OE1-NH1 2.95Å; E41-R56 PolarHBondContact OE1-NH1 3.2Å; R56-F58 HydrophobicContact CB-CE2 3.63Å; R56-F58 HydrophobicContact CB-CZ 3.97Å; R56-E63 HydrophobicContact CB-CG 4.5Å; R56-E63 IonicContact CZ-OE2 3.59Å; R56-E63 IonicContact NE-OE1 2.85Å; R56-E63 IonicContact NE-OE2 2.87Å; R56-E63 PolarHBondContact NE-OE2 3.39Å; R56-E63 IonicContact NH2-OE2 3.89Å; R56-E63 PolarHBondContact NH2-OE2 3.42Å; R56-R66 HydrophobicContact CG-CB 4.45Å
57	Y	78.9	Confident	81.8	Confident	8 Å²	8	58 Å²	58	3%	0.031	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	132.4	-177.6	-64.9	-103.1	0	0	0	110.1	D55 E63 Y64 V65 Y74 W88	D55-Y57 WeakPolarHBondContact OD2-CE2 3.39Å; D55-Y57 PolarHBondContact OD2-OH 2.84Å; Y57-E63 CarbonylContact O-C 3.53Å; Y57-E63 VanDerWaalsContact O-CA 3.29Å; Y57-E63 WeakPolarHBondContact O-CA 3.36Å; Y57-Y64 VanDerWaalsContact C-CE1 3.44Å; Y57-Y64 VanDerWaalsContact CB-CE1 3.42Å; Y57-Y64 VanDerWaalsContact CB-CZ 3.47Å; Y57-Y64 WeakPolarHBondContact O-CD1 3.34Å; Y57-Y64 PolarHBondContact O-N 3.47Å; Y57-V65 HydrophobicContact CD2-CB 4.45Å; Y57-V65 PolarHBondContact N-O 3.4Å; Y57-Y74 HydrophobicContact CE2-CE1 4Å; Y57-W88 HydrophobicContact CD1-CH2 4.01Å; Y57-W88 HydrophobicContact CD2-CH2 4.24Å; Y57-W88 HydrophobicContact CD2-CZ3 4.01Å; Y57-W88 AromaticContact CE1-CH2 3.89Å; Y57-W88 HydrophobicContact CE1-CH2 3.89Å; Y57-W88 HydrophobicContact CE1-CZ3 4.46Å; Y57-W88 HydrophobicContact CE2-CH2 4.15Å; Y57-W88 AromaticContact CE2-CZ3 3.89Å; Y57-W88 HydrophobicContact CE2-CZ3 3.89Å; Y57-W88 HydrophobicContact CG-CH2 4.17Å; Y57-W88 HydrophobicContact CG-CZ3 4.36Å; Y57-W88 AromaticContact CZ-CH2 3.95Å
58	F	81.1	Confident	82.7	Confident	16 Å²	16	57 Å²	57	7%	0.07	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	136	-174.6	-59.2	-96.7	0	0	0	111.5	E36 Y37 T39 R56 E62 E63	E36-F58 WeakPolarHBondContact CA-O 3.37Å; Y37-F58 HydrophobicContact CD1-CB 3.79Å; Y37-F58 HydrophobicContact CD2-CB 4.12Å; Y37-F58 AromaticContact CD2-CD2 3.71Å; Y37-F58 HydrophobicContact CD2-CD2 3.71Å; Y37-F58 HydrophobicContact CD2-CE2 4.43Å; Y37-F58 HydrophobicContact CD2-CG 4.15Å; Y37-F58 HydrophobicContact CE1-CB 3.43Å; Y37-F58 VanDerWaalsContact CE1-CB 3.43Å; Y37-F58 HydrophobicContact CE1-CG 4.02Å; Y37-F58 HydrophobicContact CE2-CB 3.76Å; Y37-F58 HydrophobicContact CE2-CD1 4.21Å; Y37-F58 AromaticContact CE2-CD2 3.27Å; Y37-F58 HydrophobicContact CE2-CD2 3.27Å; Y37-F58 AromaticContact CE2-CE2 3.83Å; Y37-F58 HydrophobicContact CE2-CE2 3.83Å; Y37-F58 AromaticContact CE2-CG 3.49Å; Y37-F58 HydrophobicContact CE2-CG 3.49Å; Y37-F58 VanDerWaalsContact CE2-CG 3.49Å; Y37-F58 HydrophobicContact CE2-CZ 4.46Å; Y37-F58 HydrophobicContact CG-CB 4.13Å; Y37-F58 HydrophobicContact CG-CD2 4.47Å; Y37-F58 AromaticContact CZ-CD1 3.91Å; Y37-F58 AromaticContact CZ-CD2 3.76Å; Y37-F58 AromaticContact CZ-CG 3.42Å; Y37-F58 VanDerWaalsContact CZ-CG 3.42Å; Y37-F58 PolarHBondContact N-O 3.42Å; Y37-F58 VanDerWaalsContact N-O 3.07Å; Y37-F58 WeakPolarHBondContact O-CB 3.38Å; Y37-F58 PolarHBondContact O-N 2.04Å; Y37-F58 WeakPolarHBondContact OH-CD1 3.37Å; Y37-F58 WeakPolarHBondContact OH-CG 3.48Å; T39-F58 HydrophobicContact CG2-CD2 4.39Å; T39-F58 HydrophobicContact CG2-CE2 3.81Å; T39-F58 WeakPolarHBondContact OG1-CE2 3.5Å; R56-F58 HydrophobicContact CB-CE2 3.63Å; R56-F58 HydrophobicContact CB-CZ 3.97Å; F58-E62 CarbonylContact C-O 3.43Å; F58-E62 VanDerWaalsContact CA-O 3.28Å; F58-E62 WeakPolarHBondContact CA-O 3.4Å; F58-E63 HydrophobicContact CD1-CB 3.78Å; F58-E63 HydrophobicContact CD1-CG 4.38Å; F58-E63 HydrophobicContact CE1-CB 3.69Å; F58-E63 HydrophobicContact CE1-CG 4.11Å; F58-E63 HydrophobicContact CZ-CB 4.45Å; F58-E63 HydrophobicContact CZ-CG 4.39Å
59	Y	75.8	Confident	83.5	Confident	58 Å²	58	53.8 Å²	53.8	23%	0.227	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	118.3	169.6	-175.6	-101.6	0	0	0	108.8	F34 R61 E62 L80 W153	F34-Y59 HydrophobicContact CD1-CE2 4.41Å; F34-Y59 AromaticContact CD1-CZ 3.87Å; F34-Y59 WeakPolarHBondContact CD1-OH 3.39Å; F34-Y59 WeakPolarHBondContact CE1-OH 3.29Å; Y59-R61 PolarHBondContact O-N 2.97Å; Y59-R61 VanDerWaalsContact O-N 3.09Å; Y59-E62 PolarHBondContact N-O 2.79Å; Y59-E62 WeakPolarHBondContact O-CB 3.24Å; Y59-E62 PolarHBondContact O-N 2.87Å; Y59-L80 HydrophobicContact CD1-CD2 4.1Å; Y59-L80 HydrophobicContact CG-CD2 4.19Å; Y59-W153 HydrophobicContact CD2-CZ2 4.47Å
60	N	81.9	Confident	84.4	Confident	64 Å²	64	50.4 Å²	50.4	34%	0.342	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	48.9	39.1	-178.3	-67.6	-38.4	0	0	0	113.9	R33 L35 E62	R33-N60 PolarHBondContact O-OD1 2.72Å; L35-N60 PolarHBondContact N-OD1 2.82Å; L35-N60 PolarHBondContact O-N 3.4Å; N60-E62 VanDerWaalsContact C-N 3.28Å
61	R	82.6	Confident	85	Confident	207 Å²	207	47.7 Å²	47.7	78%	0.781	22%	0.218	S	C	*	.	T	Hydrogen-bonded Turn	trans	76.9	1.6	-178	-45.6	164.6	66.5	-178.4	2.6	115.3	Y59	Y59-R61 PolarHBondContact O-N 2.97Å; Y59-R61 VanDerWaalsContact O-N 3.09Å
62	E	85.7	Confident	85.2	Confident	122 Å²	122	47 Å²	47	57%	0.57	22%	0.216	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-95.3	121.7	172	-173.6	172.5	-176.7	0	0	109.3	F58 Y59 N60 Y64 T78	F58-E62 CarbonylContact C-O 3.43Å; F58-E62 VanDerWaalsContact CA-O 3.28Å; F58-E62 WeakPolarHBondContact CA-O 3.4Å; Y59-E62 PolarHBondContact N-O 2.79Å; Y59-E62 WeakPolarHBondContact O-CB 3.24Å; Y59-E62 PolarHBondContact O-N 2.87Å; N60-E62 VanDerWaalsContact C-N 3.28Å; E62-Y64 PolarHBondContact O-N 3.24Å; E62-T78 HydrophobicContact CG-CG2 3.97Å; E62-T78 VanDerWaalsContact OE1-CG2 3.27Å; E62-T78 WeakPolarHBondContact OE1-CG2 3.37Å
63	E	85.8	Confident	85.2	Confident	22 Å²	22	46.8 Å²	46.8	10%	0.103	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.5	124.5	175.8	-170.8	-176.4	153.6	0	0	109.4	R56 Y57 F58 R66 V77 T78	R56-E63 HydrophobicContact CB-CG 4.5Å; R56-E63 IonicContact CZ-OE2 3.59Å; R56-E63 IonicContact NE-OE1 2.85Å; R56-E63 IonicContact NE-OE2 2.87Å; R56-E63 PolarHBondContact NE-OE2 3.39Å; R56-E63 IonicContact NH2-OE2 3.89Å; R56-E63 PolarHBondContact NH2-OE2 3.42Å; Y57-E63 CarbonylContact O-C 3.53Å; Y57-E63 VanDerWaalsContact O-CA 3.29Å; Y57-E63 WeakPolarHBondContact O-CA 3.36Å; F58-E63 HydrophobicContact CD1-CB 3.78Å; F58-E63 HydrophobicContact CD1-CG 4.38Å; F58-E63 HydrophobicContact CE1-CB 3.69Å; F58-E63 HydrophobicContact CE1-CG 4.11Å; F58-E63 HydrophobicContact CZ-CB 4.45Å; F58-E63 HydrophobicContact CZ-CG 4.39Å; E63-R66 VanDerWaalsContact CD-NH2 3.25Å; E63-R66 WeakPolarHBondContact OE1-CB 3.38Å; E63-R66 IonicContact OE1-CZ 3.03Å; E63-R66 IonicContact OE1-NE 3.16Å; E63-R66 PolarHBondContact OE1-NE 2.92Å; E63-R66 IonicContact OE1-NH2 2.63Å; E63-R66 PolarHBondContact OE1-NH2 2.83Å; E63-R66 IonicContact OE2-NH2 2.8Å; E63-R66 PolarHBondContact OE2-NH2 3.28Å; E63-R66 VanDerWaalsContact OE2-NH2 3.16Å; E63-V77 HydrophobicContact CB-CG1 4.44Å; E63-V77 HydrophobicContact CG-CB 4.45Å; E63-V77 HydrophobicContact CG-CG2 4.05Å; E63-V77 WeakPolarHBondContact O-CB 3.49Å; E63-V77 WeakPolarHBondContact O-CG1 3.49Å; E63-T78 VanDerWaalsContact O-CG2 3.25Å; E63-T78 WeakPolarHBondContact O-CG2 3.09Å
64	Y	80.8	Confident	85.2	Confident	2 Å²	2	46.9 Å²	46.9	1%	0.008	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	-31.8	-176.9	68.2	-81.7	0	0	0	113.2	E36 Y57 E62 V77 T78 D84 W153	E36-Y64 PolarHBondContact OE1-OH 3.03Å; Y57-Y64 VanDerWaalsContact C-CE1 3.44Å; Y57-Y64 VanDerWaalsContact CB-CE1 3.42Å; Y57-Y64 VanDerWaalsContact CB-CZ 3.47Å; Y57-Y64 WeakPolarHBondContact O-CD1 3.34Å; Y57-Y64 PolarHBondContact O-N 3.47Å; E62-Y64 PolarHBondContact O-N 3.24Å; Y64-V77 PolarHBondContact O-N 3.44Å; Y64-T78 WeakPolarHBondContact CA-OG1 3.48Å; Y64-T78 WeakPolarHBondContact CB-OG1 3.3Å; Y64-T78 PolarHBondContact O-N 3.48Å; Y64-D84 WeakPolarHBondContact CE2-OD2 3.43Å; Y64-W153 AromaticContact CD2-CH2 3.94Å; Y64-W153 HydrophobicContact CD2-CH2 3.94Å; Y64-W153 HydrophobicContact CD2-CZ2 4.29Å; Y64-W153 HydrophobicContact CE1-CZ2 4.36Å; Y64-W153 AromaticContact CE2-CH2 3.76Å; Y64-W153 HydrophobicContact CE2-CH2 3.76Å; Y64-W153 AromaticContact CE2-CZ2 3.83Å; Y64-W153 HydrophobicContact CE2-CZ2 3.83Å; Y64-W153 AromaticContact CZ-CZ2 3.87Å
65	V	85.1	Confident	85.4	Confident	0 Å²	0	52.6 Å²	52.6	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	148.1	174.1	-177.5	0	0	0	0	110.8	Y57 Y74 G81 D84 A85 W88	Y57-V65 HydrophobicContact CD2-CB 4.45Å; Y57-V65 PolarHBondContact N-O 3.4Å; V65-Y74 HydrophobicContact CG1-CD1 3.84Å; V65-Y74 HydrophobicContact CG1-CG 4.48Å; V65-G81 VanDerWaalsContact CG2-O 3.24Å; V65-G81 WeakPolarHBondContact CG2-O 3.4Å; V65-D84 HydrophobicContact CG2-CB 3.99Å; V65-A85 HydrophobicContact CG1-CB 4.34Å; V65-W88 HydrophobicContact CB-CZ3 3.87Å; V65-W88 HydrophobicContact CG1-CE3 3.85Å; V65-W88 HydrophobicContact CG1-CZ3 3.5Å; V65-W88 VanDerWaalsContact CG1-CZ3 3.5Å; V65-W88 HydrophobicContact CG2-CZ3 4.18Å
66	R	89.5	Confident	85.7	Confident	95 Å²	95	54 Å²	54	36%	0.358	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	149.4	168.5	65.6	178.5	61.8	162.5	0.7	112.8	D55 R56 E63 Y74 R75 V77	D55-R66 CarbonylContact O-C 3.43Å; D55-R66 WeakPolarHBondContact O-CA 3.28Å; R56-R66 HydrophobicContact CG-CB 4.45Å; E63-R66 VanDerWaalsContact CD-NH2 3.25Å; E63-R66 WeakPolarHBondContact OE1-CB 3.38Å; E63-R66 IonicContact OE1-CZ 3.03Å; E63-R66 IonicContact OE1-NE 3.16Å; E63-R66 PolarHBondContact OE1-NE 2.92Å; E63-R66 IonicContact OE1-NH2 2.63Å; E63-R66 PolarHBondContact OE1-NH2 2.83Å; E63-R66 IonicContact OE2-NH2 2.8Å; E63-R66 PolarHBondContact OE2-NH2 3.28Å; E63-R66 VanDerWaalsContact OE2-NH2 3.16Å; R66-Y74 CarbonylContact O-C 3.55Å; R66-Y74 VanDerWaalsContact O-CA 3.28Å; R66-Y74 WeakPolarHBondContact O-CA 3.4Å; R66-R75 HydrophobicContact CG-CB 4.29Å; R66-R75 PolarHBondContact N-O 3.44Å; R66-R75 PolarHBondContact O-N 3.15Å; R66-V77 HydrophobicContact CB-CG2 4.35Å; R66-V77 HydrophobicContact CG-CG2 3.95Å; R66-V77 VanDerWaalsContact NE-CG2 3.33Å
67	F	86.4	Confident	86	Confident	0 Å²	0	54 Å²	54	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	137.7	157.8	-179.6	-94.4	0	0	0	109.1	F53 L54 D55 Y74 L95 A98 R99	F53-F67 AromaticContact CD1-CD1 3.91Å; F53-F67 HydrophobicContact CD1-CD1 3.91Å; F53-F67 AromaticContact CD1-CE1 4Å; F53-F67 HydrophobicContact CD1-CE1 4Å; F53-F67 HydrophobicContact CE1-CD1 4.08Å; F53-F67 HydrophobicContact CE1-CE1 4.44Å; L54-F67 WeakPolarHBondContact CA-O 3.22Å; D55-F67 HydrophobicContact CB-CB 4.08Å; D55-F67 PolarHBondContact N-O 3.37Å; D55-F67 PolarHBondContact O-N 2.87Å; F67-Y74 HydrophobicContact CB-CD1 3.73Å; F67-Y74 HydrophobicContact CB-CE1 3.61Å; F67-Y74 HydrophobicContact CB-CE2 4.46Å; F67-Y74 HydrophobicContact CB-CG 4.27Å; F67-Y74 AromaticContact CD2-CD2 3.93Å; F67-Y74 HydrophobicContact CD2-CD2 3.93Å; F67-Y74 AromaticContact CD2-CE2 3.88Å; F67-Y74 HydrophobicContact CD2-CE2 3.88Å; F67-Y74 HydrophobicContact CD2-CG 4.25Å; F67-Y74 HydrophobicContact CG-CE1 4.42Å; F67-Y74 HydrophobicContact CG-CE2 4.47Å; F67-L95 HydrophobicContact CE2-CD1 4.16Å; F67-A98 HydrophobicContact CD1-CB 4.1Å; F67-A98 HydrophobicContact CD2-CB 3.87Å; F67-A98 HydrophobicContact CE1-CB 3.87Å; F67-A98 VanDerWaalsContact CE1-O 3.28Å; F67-A98 WeakPolarHBondContact CE1-O 3.35Å; F67-A98 HydrophobicContact CE2-CB 3.63Å; F67-A98 HydrophobicContact CG-CB 4.09Å; F67-A98 HydrophobicContact CZ-CB 3.63Å; F67-R99 HydrophobicContact CE2-CG 4.42Å; F67-R99 HydrophobicContact CZ-CG 3.92Å
68	D	91.3	Very high	86.1	Confident	19 Å²	19	55 Å²	55	10%	0.102	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	121.8	175.5	-174.7	-12.3	0	0	0	108.6	R52 L54 D70 V71 G72	R52-D68 IonicContact CZ-OD1 3.39Å; R52-D68 IonicContact CZ-OD2 3.02Å; R52-D68 IonicContact NE-OD1 2.71Å; R52-D68 PolarHBondContact NE-OD1 3.03Å; R52-D68 IonicContact NE-OD2 2.86Å; R52-D68 PolarHBondContact NE-OD2 3.05Å; R52-D68 IonicContact NH2-OD1 3.69Å; R52-D68 IonicContact NH2-OD2 2.66Å; R52-D68 PolarHBondContact NH2-OD2 2.86Å; L54-D68 HydrophobicContact CD2-CB 3.7Å; D68-D70 PolarHBondContact O-N 3.38Å; D68-D70 PolarHBondContact OD1-N 2.93Å; D68-D70 VanDerWaalsContact OD1-N 3.09Å; D68-V71 HydrophobicContact CB-CB 4.25Å; D68-V71 HydrophobicContact CB-CG2 3.94Å; D68-V71 CarbonylContact O-C 3.57Å; D68-V71 WeakPolarHBondContact O-CA 3.46Å; D68-V71 PolarHBondContact O-N 3.43Å; D68-G72 PolarHBondContact O-N 3.19Å
69	S	87.4	Confident	86.2	Confident	30 Å²	30	60.5 Å²	60.5	21%	0.21	29%	0.291	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.8	-27.1	-178.4	65.4	0	0	0	0	113.6	R52 F53 V71 V102	R52-S69 WeakPolarHBondContact CA-OG 3.38Å; F53-S69 PolarHBondContact N-OG 3.35Å; F53-S69 PolarHBondContact O-N 3.17Å; F53-S69 PolarHBondContact O-OG 3.28Å; S69-V71 PolarHBondContact O-N 3.38Å; S69-V102 VanDerWaalsContact CB-CG2 3.42Å
70	D	90.8	Very high	86.4	Confident	87 Å²	87	61.4 Å²	61.4	47%	0.465	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.8	-22.4	174.9	-80.7	-10	0	0	0	111.5	R50 R52 D68	R50-D70 IonicContact NH2-OD1 3Å; R50-D70 PolarHBondContact NH2-OD1 3.31Å; R50-D70 IonicContact NH2-OD2 2.56Å; R50-D70 PolarHBondContact NH2-OD2 3.2Å; R50-D70 VanDerWaalsContact NH2-OD2 3.17Å; R52-D70 IonicContact NE-OD2 3.01Å; D68-D70 PolarHBondContact O-N 3.38Å; D68-D70 PolarHBondContact OD1-N 2.93Å; D68-D70 VanDerWaalsContact OD1-N 3.09Å
71	V	92.6	Very high	86.1	Confident	80 Å²	80	58.3 Å²	58.3	49%	0.485	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.6	-38.6	176.1	-173.2	0	0	0	0	111.1	D68 S69 E73	D68-V71 HydrophobicContact CB-CB 4.25Å; D68-V71 HydrophobicContact CB-CG2 3.94Å; D68-V71 CarbonylContact O-C 3.57Å; D68-V71 WeakPolarHBondContact O-CA 3.46Å; D68-V71 PolarHBondContact O-N 3.43Å; S69-V71 PolarHBondContact O-N 3.38Å; V71-E73 HydrophobicContact CG1-CG 4Å
72	G	88.1	Confident	86	Confident	9 Å²	9	54.3 Å²	54.3	9%	0.093	27%	0.268	C	S	.	.	T	Hydrogen-bonded Turn	trans	79	17.9	178.7	0	0	0	0	0	114.8	D68 L95 R99	D68-G72 PolarHBondContact O-N 3.19Å; G72-L95 WeakPolarHBondContact O-CD1 3.25Å; G72-R99 VanDerWaalsContact O-CZ 3.3Å; G72-R99 PolarHBondContact O-NE 2.94Å; G72-R99 PolarHBondContact O-NH2 2.8Å
73	E	87.9	Confident	85.7	Confident	59 Å²	59	52 Å²	52	28%	0.276	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.4	160.9	177.1	78.9	-167.1	172	0	0	113.5	V71 R75 N89 L95	V71-E73 HydrophobicContact CG1-CG 4Å; E73-R75 HydrophobicContact CG-CG 4.42Å; E73-R75 IonicContact OE1-CZ 3.78Å; E73-R75 IonicContact OE1-NE 3.17Å; E73-R75 PolarHBondContact OE1-NE 3.26Å; E73-R75 IonicContact OE1-NH2 3.44Å; E73-R75 PolarHBondContact OE1-NH2 3.01Å; E73-N89 WeakPolarHBondContact CB-OD1 3.49Å; E73-L95 HydrophobicContact CB-CD1 4.12Å
74	Y	84	Confident	85.2	Confident	7 Å²	7	52.3 Å²	52.3	3%	0.027	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	133.5	175.7	-71.2	-89.8	0	0	0	110.7	Y57 V65 R66 F67 W88 N89 I94 L95 A98	Y57-Y74 HydrophobicContact CE2-CE1 4Å; V65-Y74 HydrophobicContact CG1-CD1 3.84Å; V65-Y74 HydrophobicContact CG1-CG 4.48Å; R66-Y74 CarbonylContact O-C 3.55Å; R66-Y74 VanDerWaalsContact O-CA 3.28Å; R66-Y74 WeakPolarHBondContact O-CA 3.4Å; F67-Y74 HydrophobicContact CB-CD1 3.73Å; F67-Y74 HydrophobicContact CB-CE1 3.61Å; F67-Y74 HydrophobicContact CB-CE2 4.46Å; F67-Y74 HydrophobicContact CB-CG 4.27Å; F67-Y74 AromaticContact CD2-CD2 3.93Å; F67-Y74 HydrophobicContact CD2-CD2 3.93Å; F67-Y74 AromaticContact CD2-CE2 3.88Å; F67-Y74 HydrophobicContact CD2-CE2 3.88Å; F67-Y74 HydrophobicContact CD2-CG 4.25Å; F67-Y74 HydrophobicContact CG-CE1 4.42Å; F67-Y74 HydrophobicContact CG-CE2 4.47Å; Y74-W88 HydrophobicContact CD1-CD2 4.43Å; Y74-W88 AromaticContact CD1-CE3 3.42Å; Y74-W88 HydrophobicContact CD1-CE3 3.42Å; Y74-W88 VanDerWaalsContact CD1-CE3 3.42Å; Y74-W88 AromaticContact CD1-CZ3 3.93Å; Y74-W88 HydrophobicContact CD1-CZ3 3.93Å; Y74-W88 HydrophobicContact CD2-CB 3.73Å; Y74-W88 HydrophobicContact CD2-CE3 4.49Å; Y74-W88 HydrophobicContact CE1-CD2 4.49Å; Y74-W88 AromaticContact CE1-CE3 3.67Å; Y74-W88 HydrophobicContact CE1-CE3 3.67Å; Y74-W88 HydrophobicContact CE1-CZ3 4.05Å; Y74-W88 HydrophobicContact CE2-CB 4.09Å; Y74-W88 HydrophobicContact CG-CB 4.06Å; Y74-W88 AromaticContact CG-CE3 3.85Å; Y74-W88 HydrophobicContact CG-CE3 3.85Å; Y74-N89 PolarHBondContact N-OD1 2.96Å; Y74-N89 PolarHBondContact O-ND2 3.18Å; Y74-I94 HydrophobicContact CE2-CG2 4Å; Y74-L95 HydrophobicContact CD2-CD1 4.27Å; Y74-A98 HydrophobicContact CE2-CB 4.13Å
75	R	92.1	Very high	85	Confident	142 Å²	142	52.5 Å²	52.5	54%	0.536	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	127.4	178.2	-71	-68.3	-173	152.3	-2.7	109.6	R66 E73 V77	R66-R75 HydrophobicContact CG-CB 4.29Å; R66-R75 PolarHBondContact N-O 3.44Å; R66-R75 PolarHBondContact O-N 3.15Å; E73-R75 HydrophobicContact CG-CG 4.42Å; E73-R75 IonicContact OE1-CZ 3.78Å; E73-R75 IonicContact OE1-NE 3.17Å; E73-R75 PolarHBondContact OE1-NE 3.26Å; E73-R75 IonicContact OE1-NH2 3.44Å; E73-R75 PolarHBondContact OE1-NH2 3.01Å; R75-V77 PolarHBondContact O-N 2.85Å
76	A	87.1	Confident	84.8	Confident	43 Å²	43	58.4 Å²	58.4	36%	0.355	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.6	125.7	169.7	0	0	0	0	0	109.7	R82 A85	A76-R82 HydrophobicContact CB-CB 4.27Å; A76-A85 HydrophobicContact CB-CB 4.06Å
77	V	91.3	Very high	84.2	Confident	64 Å²	64	59.8 Å²	59.8	39%	0.388	30%	0.302	S	S	.	.	S	Bend	trans	-88.7	-33.5	174.6	-179.3	0	0	0	0	110	E63 Y64 R66 R75	E63-V77 HydrophobicContact CB-CG1 4.44Å; E63-V77 HydrophobicContact CG-CB 4.45Å; E63-V77 HydrophobicContact CG-CG2 4.05Å; E63-V77 WeakPolarHBondContact O-CB 3.49Å; E63-V77 WeakPolarHBondContact O-CG1 3.49Å; Y64-V77 PolarHBondContact O-N 3.44Å; R66-V77 HydrophobicContact CB-CG2 4.35Å; R66-V77 HydrophobicContact CG-CG2 3.95Å; R66-V77 VanDerWaalsContact NE-CG2 3.33Å; R75-V77 PolarHBondContact O-N 2.85Å
78	T	81.6	Confident	83.8	Confident	29 Å²	29	59.9 Å²	59.9	18%	0.178	30%	0.302	C	S	.	.	S	Bend	trans	-127.7	167.5	176.3	67.6	0	0	0	0	109.9	E62 E63 Y64 L80 G81	E62-T78 HydrophobicContact CG-CG2 3.97Å; E62-T78 VanDerWaalsContact OE1-CG2 3.27Å; E62-T78 WeakPolarHBondContact OE1-CG2 3.37Å; E63-T78 VanDerWaalsContact O-CG2 3.25Å; E63-T78 WeakPolarHBondContact O-CG2 3.09Å; Y64-T78 WeakPolarHBondContact CA-OG1 3.48Å; Y64-T78 WeakPolarHBondContact CB-OG1 3.3Å; Y64-T78 PolarHBondContact O-N 3.48Å; T78-L80 PolarHBondContact O-N 3.44Å; T78-G81 PolarHBondContact O-N 2.8Å; T78-G81 VanDerWaalsContact O-N 3.15Å
79	E	82.3	Confident	83.3	Confident	132 Å²	132	61.3 Å²	61.3	62%	0.617	31%	0.31	S	S	*	.	G	3₁₀ helix	trans	-63.2	-26.8	179	-64.3	-61.3	-179.2	0	0	113.9	G81 R82	E79-G81 VanDerWaalsContact C-N 3.28Å; E79-G81 PolarHBondContact O-N 2.99Å; E79-R82 WeakPolarHBondContact O-CB 3.21Å; E79-R82 PolarHBondContact O-N 3.09Å; E79-R82 IonicContact OE1-NH2 2.72Å; E79-R82 PolarHBondContact OE1-NH2 3.22Å; E79-R82 IonicContact OE2-CZ 3.46Å; E79-R82 IonicContact OE2-NE 3.46Å; E79-R82 PolarHBondContact OE2-NE 3.18Å; E79-R82 IonicContact OE2-NH2 2.8Å; E79-R82 PolarHBondContact OE2-NH2 3.07Å
80	L	80.3	Confident	82.9	Confident	76 Å²	76	63.8 Å²	63.8	40%	0.398	33%	0.327	S	S	.	.	G	3₁₀ helix	trans	-62.1	-37.2	176.3	-176.9	67	0	0	0	111.7	Y59 T78 P83 W153	Y59-L80 HydrophobicContact CD1-CD2 4.1Å; Y59-L80 HydrophobicContact CG-CD2 4.19Å; T78-L80 PolarHBondContact O-N 3.44Å; L80-P83 WeakPolarHBondContact O-CD 3.35Å; L80-P83 WeakPolarHBondContact O-CG 3.22Å; L80-W153 HydrophobicContact CD1-CE3 4.4Å; L80-W153 HydrophobicContact CD1-CH2 3.92Å; L80-W153 HydrophobicContact CD1-CZ3 3.6Å; L80-W153 HydrophobicContact CD2-CH2 3.81Å; L80-W153 HydrophobicContact CD2-CZ2 4.29Å; L80-W153 HydrophobicContact CD2-CZ3 4.35Å; L80-W153 HydrophobicContact CG-CH2 3.57Å; L80-W153 HydrophobicContact CG-CZ3 3.79Å
81	G	75.3	Confident	82.1	Confident	0 Å²	0	62 Å²	62	0%	0	32%	0.316	C	S	.	.	G	3₁₀ helix	trans	-88.7	-1	-177.4	0	0	0	0	0	115.6	V65 T78 E79 D84 A85	V65-G81 VanDerWaalsContact CG2-O 3.24Å; V65-G81 WeakPolarHBondContact CG2-O 3.4Å; T78-G81 PolarHBondContact O-N 2.8Å; T78-G81 VanDerWaalsContact O-N 3.15Å; E79-G81 VanDerWaalsContact C-N 3.28Å; E79-G81 PolarHBondContact O-N 2.99Å; G81-D84 PolarHBondContact O-N 2.87Å; G81-A85 WeakPolarHBondContact O-CB 3.33Å; G81-A85 PolarHBondContact O-N 2.83Å
82	R	79.8	Confident	81.3	Confident	122 Å²	122	62.3 Å²	62.3	46%	0.46	32%	0.32	S	S	.	.	H	α-helix	trans	-55.9	-52.1	175.5	-162.4	-164.5	-60.9	-164.1	-5.6	113.3	A76 E79 D84 A85 E86	A76-R82 HydrophobicContact CB-CB 4.27Å; E79-R82 WeakPolarHBondContact O-CB 3.21Å; E79-R82 PolarHBondContact O-N 3.09Å; E79-R82 IonicContact OE1-NH2 2.72Å; E79-R82 PolarHBondContact OE1-NH2 3.22Å; E79-R82 IonicContact OE2-CZ 3.46Å; E79-R82 IonicContact OE2-NE 3.46Å; E79-R82 PolarHBondContact OE2-NE 3.18Å; E79-R82 IonicContact OE2-NH2 2.8Å; E79-R82 PolarHBondContact OE2-NH2 3.07Å; R82-D84 VanDerWaalsContact C-N 3.29Å; R82-D84 PolarHBondContact O-N 2.9Å; R82-A85 PolarHBondContact O-N 2.88Å; R82-E86 WeakPolarHBondContact CG-OE1 3.48Å; R82-E86 WeakPolarHBondContact O-CG 3.11Å; R82-E86 PolarHBondContact O-N 2.84Å
83	P	79.7	Confident	80.6	Confident	73 Å²	73	67.7 Å²	67.7	47%	0.474	34%	0.343	S	S	.	.	H	α-helix	trans	-59.1	-40.4	178.4	22.8	-35.1	0	0	0	112.6	L80 Y87	L80-P83 WeakPolarHBondContact O-CD 3.35Å; L80-P83 WeakPolarHBondContact O-CG 3.22Å; P83-Y87 WeakPolarHBondContact O-CB 3.47Å; P83-Y87 PolarHBondContact O-N 2.66Å
84	D	74.9	Confident	79.8	Confident	29 Å²	29	65.2 Å²	65.2	16%	0.155	33%	0.331	C	S	.	.	H	α-helix	trans	-69	-44.7	-178.9	-59.7	-35.8	0	0	0	111.6	Y64 V65 G81 R82 E86 Y87 W88	Y64-D84 WeakPolarHBondContact CE2-OD2 3.43Å; V65-D84 HydrophobicContact CG2-CB 3.99Å; G81-D84 PolarHBondContact O-N 2.87Å; R82-D84 VanDerWaalsContact C-N 3.29Å; R82-D84 PolarHBondContact O-N 2.9Å; D84-E86 PolarHBondContact O-N 2.99Å; D84-Y87 PolarHBondContact O-N 2.81Å; D84-W88 HydrophobicContact CB-CD2 4.33Å; D84-W88 HydrophobicContact CB-CE3 4.29Å; D84-W88 HydrophobicContact CB-CH2 4.05Å; D84-W88 HydrophobicContact CB-CZ2 4.06Å; D84-W88 HydrophobicContact CB-CZ3 4.18Å; D84-W88 WeakPolarHBondContact O-CB 3.47Å; D84-W88 PolarHBondContact O-N 2.81Å
85	A	78.5	Confident	79.5	Confident	6 Å²	6	65.8 Å²	65.8	5%	0.05	33%	0.334	C	S	.	.	H	α-helix	trans	-62.2	-43.4	176.9	0	0	0	0	0	112	V65 A76 G81 R82 N89	V65-A85 HydrophobicContact CG1-CB 4.34Å; A76-A85 HydrophobicContact CB-CB 4.06Å; G81-A85 WeakPolarHBondContact O-CB 3.33Å; G81-A85 PolarHBondContact O-N 2.83Å; R82-A85 PolarHBondContact O-N 2.88Å; A85-N89 VanDerWaalsContact O-CB 3.25Å; A85-N89 WeakPolarHBondContact O-CB 3.15Å; A85-N89 PolarHBondContact O-N 3.31Å; A85-N89 PolarHBondContact O-ND2 2.69Å
86	E	80.2	Confident	78.9	Confident	125 Å²	125	64.9 Å²	64.9	58%	0.584	34%	0.336	S	S	*	.	H	α-helix	trans	-63	-44.4	175.3	-72.7	174.7	-170.2	0	0	111.4	R82 D84 S90	R82-E86 WeakPolarHBondContact CG-OE1 3.48Å; R82-E86 WeakPolarHBondContact O-CG 3.11Å; R82-E86 PolarHBondContact O-N 2.84Å; D84-E86 PolarHBondContact O-N 2.99Å; E86-S90 WeakPolarHBondContact O-CB 3.33Å; E86-S90 PolarHBondContact O-N 2.77Å
87	Y	76.3	Confident	78.3	Confident	124 Å²	124	66 Å²	66	49%	0.486	34%	0.336	S	S	.	.	H	α-helix	trans	-64.3	-48.3	179.3	178.3	-114.5	0	0	0	112.3	P83 D84 S90 Q91 P123	P83-Y87 WeakPolarHBondContact O-CB 3.47Å; P83-Y87 PolarHBondContact O-N 2.66Å; D84-Y87 PolarHBondContact O-N 2.81Å; Y87-S90 PolarHBondContact O-N 3.35Å; Y87-S90 PolarHBondContact O-OG 3.07Å; Y87-Q91 PolarHBondContact O-N 2.89Å; Y87-Q91 PolarHBondContact OH-NE2 3.12Å; Y87-P123 HydrophobicContact CE1-CG 4.45Å
88	W	77.9	Confident	77.5	Confident	2 Å²	2	63.1 Å²	63.1	1%	0.008	32%	0.319	C	S	.	.	H	α-helix	trans	-68.1	-37.5	-179.6	-61.8	-26.7	0	0	0	112.5	Y57 V65 Y74 D84 S90 Q91 I94 P123	Y57-W88 HydrophobicContact CD1-CH2 4.01Å; Y57-W88 HydrophobicContact CD2-CH2 4.24Å; Y57-W88 HydrophobicContact CD2-CZ3 4.01Å; Y57-W88 AromaticContact CE1-CH2 3.89Å; Y57-W88 HydrophobicContact CE1-CH2 3.89Å; Y57-W88 HydrophobicContact CE1-CZ3 4.46Å; Y57-W88 HydrophobicContact CE2-CH2 4.15Å; Y57-W88 AromaticContact CE2-CZ3 3.89Å; Y57-W88 HydrophobicContact CE2-CZ3 3.89Å; Y57-W88 HydrophobicContact CG-CH2 4.17Å; Y57-W88 HydrophobicContact CG-CZ3 4.36Å; Y57-W88 AromaticContact CZ-CH2 3.95Å; V65-W88 HydrophobicContact CB-CZ3 3.87Å; V65-W88 HydrophobicContact CG1-CE3 3.85Å; V65-W88 HydrophobicContact CG1-CZ3 3.5Å; V65-W88 VanDerWaalsContact CG1-CZ3 3.5Å; V65-W88 HydrophobicContact CG2-CZ3 4.18Å; Y74-W88 HydrophobicContact CD1-CD2 4.43Å; Y74-W88 AromaticContact CD1-CE3 3.42Å; Y74-W88 HydrophobicContact CD1-CE3 3.42Å; Y74-W88 VanDerWaalsContact CD1-CE3 3.42Å; Y74-W88 AromaticContact CD1-CZ3 3.93Å; Y74-W88 HydrophobicContact CD1-CZ3 3.93Å; Y74-W88 HydrophobicContact CD2-CB 3.73Å; Y74-W88 HydrophobicContact CD2-CE3 4.49Å; Y74-W88 HydrophobicContact CE1-CD2 4.49Å; Y74-W88 AromaticContact CE1-CE3 3.67Å; Y74-W88 HydrophobicContact CE1-CE3 3.67Å; Y74-W88 HydrophobicContact CE1-CZ3 4.05Å; Y74-W88 HydrophobicContact CE2-CB 4.09Å; Y74-W88 HydrophobicContact CG-CB 4.06Å; Y74-W88 AromaticContact CG-CE3 3.85Å; Y74-W88 HydrophobicContact CG-CE3 3.85Å; D84-W88 HydrophobicContact CB-CD2 4.33Å; D84-W88 HydrophobicContact CB-CE3 4.29Å; D84-W88 HydrophobicContact CB-CH2 4.05Å; D84-W88 HydrophobicContact CB-CZ2 4.06Å; D84-W88 HydrophobicContact CB-CZ3 4.18Å; D84-W88 WeakPolarHBondContact O-CB 3.47Å; D84-W88 PolarHBondContact O-N 2.81Å; W88-S90 VanDerWaalsContact C-N 3.25Å; W88-S90 PolarHBondContact O-N 2.78Å; W88-Q91 PolarHBondContact O-N 2.82Å; W88-I94 HydrophobicContact CB-CG2 4.37Å; W88-P123 HydrophobicContact CZ2-CG 4.11Å; W88-P123 VanDerWaalsContact NE1-CG 3.34Å
89	N	80.5	Confident	77.4	Confident	48 Å²	48	67.3 Å²	67.3	26%	0.257	33%	0.332	S	S	.	.	H	α-helix	trans	-69	-24.3	173.7	-71.1	-29	0	0	0	113.2	E73 Y74 A85 Q91	E73-N89 WeakPolarHBondContact CB-OD1 3.49Å; Y74-N89 PolarHBondContact N-OD1 2.96Å; Y74-N89 PolarHBondContact O-ND2 3.18Å; A85-N89 VanDerWaalsContact O-CB 3.25Å; A85-N89 WeakPolarHBondContact O-CB 3.15Å; A85-N89 PolarHBondContact O-N 3.31Å; A85-N89 PolarHBondContact O-ND2 2.69Å; N89-Q91 VanDerWaalsContact C-N 3.26Å
90	S	79.6	Confident	77.3	Confident	83 Å²	83	63 Å²	63	58%	0.58	32%	0.319	S	S	*	.	H	α-helix	trans	-76.3	-13.2	175.2	79	0	0	0	0	113.5	E86 Y87 W88 P92	E86-S90 WeakPolarHBondContact O-CB 3.33Å; E86-S90 PolarHBondContact O-N 2.77Å; Y87-S90 PolarHBondContact O-N 3.35Å; Y87-S90 PolarHBondContact O-OG 3.07Å; W88-S90 VanDerWaalsContact C-N 3.25Å; W88-S90 PolarHBondContact O-N 2.78Å; S90-P92 WeakPolarHBondContact O-CD 3.45Å
91	Q	74.6	Confident	76.9	Confident	48 Å²	48	60 Å²	60	22%	0.224	30%	0.304	C	S	.	.			trans	-102.3	104.7	-179.8	-72.7	-174.2	80	0	0	110.8	Y87 W88 N89 E93 I94 L95	Y87-Q91 PolarHBondContact O-N 2.89Å; Y87-Q91 PolarHBondContact OH-NE2 3.12Å; W88-Q91 PolarHBondContact O-N 2.82Å; N89-Q91 VanDerWaalsContact C-N 3.26Å; Q91-E93 VanDerWaalsContact C-N 3.31Å; Q91-E93 PolarHBondContact O-N 2.88Å; Q91-I94 HydrophobicContact CB-CB 4.17Å; Q91-I94 HydrophobicContact CB-CD1 3.92Å; Q91-I94 HydrophobicContact CB-CG1 4.04Å; Q91-I94 VanDerWaalsContact CD-CD1 3.45Å; Q91-I94 HydrophobicContact CG-CD1 4.31Å; Q91-I94 VanDerWaalsContact NE2-CD1 3.32Å; Q91-I94 PolarHBondContact O-N 3.34Å; Q91-L95 PolarHBondContact O-N 2.79Å; Q91-L95 VanDerWaalsContact O-N 3.17Å
92	P	76.2	Confident	76.8	Confident	88 Å²	88	61.9 Å²	61.9	57%	0.571	32%	0.316	S	S	*	.	H	α-helix	trans	-59.9	-39.9	-176	-24	34.7	0	0	0	113.1	S90 I94 L95 E96	S90-P92 WeakPolarHBondContact O-CD 3.45Å; P92-I94 PolarHBondContact O-N 3.26Å; P92-L95 PolarHBondContact O-N 3.02Å; P92-E96 WeakPolarHBondContact O-CB 3.46Å; P92-E96 VanDerWaalsContact O-CG 3.3Å; P92-E96 WeakPolarHBondContact O-CG 3.2Å; P92-E96 PolarHBondContact O-N 3.06Å
93	E	73	Confident	76	Confident	122 Å²	122	61.3 Å²	61.3	57%	0.57	32%	0.322	S	S	*	.	H	α-helix	trans	-59.9	-48.4	-178.8	-63.8	175.6	-176.5	0	0	111.5	Q91 L95 E96 D97 L120	Q91-E93 VanDerWaalsContact C-N 3.31Å; Q91-E93 PolarHBondContact O-N 2.88Å; E93-L95 VanDerWaalsContact C-N 3.34Å; E93-L95 PolarHBondContact O-N 3.2Å; E93-E96 PolarHBondContact O-N 3.16Å; E93-D97 WeakPolarHBondContact O-CB 3.48Å; E93-D97 PolarHBondContact O-N 3.3Å; E93-L120 HydrophobicContact CB-CD1 4Å; E93-L120 HydrophobicContact CB-CD2 4.03Å
94	I	71.6	Confident	74.7	Confident	6 Å²	6	61.2 Å²	61.2	3%	0.031	32%	0.317	C	S	.	.	H	α-helix	trans	-62.1	-43.9	177.7	-63	-178.6	0	0	0	111	Y74 W88 Q91 P92 A98 L120 L122	Y74-I94 HydrophobicContact CE2-CG2 4Å; W88-I94 HydrophobicContact CB-CG2 4.37Å; Q91-I94 HydrophobicContact CB-CB 4.17Å; Q91-I94 HydrophobicContact CB-CD1 3.92Å; Q91-I94 HydrophobicContact CB-CG1 4.04Å; Q91-I94 VanDerWaalsContact CD-CD1 3.45Å; Q91-I94 HydrophobicContact CG-CD1 4.31Å; Q91-I94 VanDerWaalsContact NE2-CD1 3.32Å; Q91-I94 PolarHBondContact O-N 3.34Å; P92-I94 PolarHBondContact O-N 3.26Å; I94-A98 WeakPolarHBondContact O-CB 3.26Å; I94-A98 PolarHBondContact O-N 3.25Å; I94-L120 HydrophobicContact CD1-CD2 4.48Å; I94-L120 HydrophobicContact CG1-CD2 3.78Å; I94-L122 HydrophobicContact CD1-CD2 4.41Å; I94-L122 HydrophobicContact CG1-CD2 4.48Å; I94-L122 HydrophobicContact CG2-CD2 3.82Å
95	L	77.2	Confident	73.3	Confident	19 Å²	19	64.2 Å²	64.2	10%	0.099	34%	0.338	C	S	.	.	H	α-helix	trans	-69.8	-37.3	-176.3	-169.2	63	0	0	0	112.1	F67 G72 E73 Y74 Q91 P92 E93 R99	F67-L95 HydrophobicContact CE2-CD1 4.16Å; G72-L95 WeakPolarHBondContact O-CD1 3.25Å; E73-L95 HydrophobicContact CB-CD1 4.12Å; Y74-L95 HydrophobicContact CD2-CD1 4.27Å; Q91-L95 PolarHBondContact O-N 2.79Å; Q91-L95 VanDerWaalsContact O-N 3.17Å; P92-L95 PolarHBondContact O-N 3.02Å; E93-L95 VanDerWaalsContact C-N 3.34Å; E93-L95 PolarHBondContact O-N 3.2Å; L95-R99 VanDerWaalsContact CD2-NH2 3.29Å; L95-R99 WeakPolarHBondContact O-CD 3.04Å; L95-R99 WeakPolarHBondContact O-CG 3.34Å; L95-R99 PolarHBondContact O-N 3.36Å; L95-R99 VanDerWaalsContact O-N 3.13Å
96	E	80	Confident	71.8	Confident	123 Å²	123	72.1 Å²	72.1	58%	0.575	38%	0.379	S	S	*	.	H	α-helix	trans	-69.6	-42.8	175.4	-74	-179.3	175.8	0	0	111.7	P92 E93 A98 R99 A100	P92-E96 WeakPolarHBondContact O-CB 3.46Å; P92-E96 VanDerWaalsContact O-CG 3.3Å; P92-E96 WeakPolarHBondContact O-CG 3.2Å; P92-E96 PolarHBondContact O-N 3.06Å; E93-E96 PolarHBondContact O-N 3.16Å; E96-A98 PolarHBondContact O-N 3.18Å; E96-R99 WeakPolarHBondContact O-CB 3.48Å; E96-R99 PolarHBondContact O-N 2.94Å; E96-A100 WeakPolarHBondContact O-CB 3.18Å; E96-A100 PolarHBondContact O-N 3.05Å
97	D	72.8	Confident	69.8	Low	67 Å²	67	70.7 Å²	70.7	36%	0.358	38%	0.38	S	S	.	.	H	α-helix	trans	-62	-42.2	175.4	-77.4	-13.3	0	0	0	112	E93 R99 A100 S101	E93-D97 WeakPolarHBondContact O-CB 3.48Å; E93-D97 PolarHBondContact O-N 3.3Å; D97-R99 VanDerWaalsContact C-N 3.33Å; D97-R99 PolarHBondContact O-N 3.48Å; D97-A100 PolarHBondContact O-N 3.49Å; D97-S101 PolarHBondContact O-N 3.4Å; D97-S101 PolarHBondContact O-OG 2.86Å; D97-S101 VanDerWaalsContact O-OG 3.07Å
98	A	74.9	Confident	68.2	Low	4 Å²	4	68.7 Å²	68.7	3%	0.033	40%	0.397	C	S	.	.	H	α-helix	trans	-62.7	-39.9	175.5	0	0	0	0	0	111.8	F67 Y74 I94 E96 S101	F67-A98 HydrophobicContact CD1-CB 4.1Å; F67-A98 HydrophobicContact CD2-CB 3.87Å; F67-A98 HydrophobicContact CE1-CB 3.87Å; F67-A98 VanDerWaalsContact CE1-O 3.28Å; F67-A98 WeakPolarHBondContact CE1-O 3.35Å; F67-A98 HydrophobicContact CE2-CB 3.63Å; F67-A98 HydrophobicContact CG-CB 4.09Å; F67-A98 HydrophobicContact CZ-CB 3.63Å; Y74-A98 HydrophobicContact CE2-CB 4.13Å; I94-A98 WeakPolarHBondContact O-CB 3.26Å; I94-A98 PolarHBondContact O-N 3.25Å; E96-A98 PolarHBondContact O-N 3.18Å; A98-S101 VanDerWaalsContact O-CB 3.28Å; A98-S101 WeakPolarHBondContact O-CB 3.43Å; A98-S101 PolarHBondContact O-N 2.85Å; A98-S101 PolarHBondContact O-OG 2.74Å
99	R	80.8	Confident	66.4	Low	116 Å²	116	75.6 Å²	75.6	44%	0.438	43%	0.434	S	S	.	.	H	α-helix	trans	-66.7	-39.8	174.8	-72.1	166	-177.6	169.1	1.2	112.2	F67 G72 L95 E96 D97 S101	F67-R99 HydrophobicContact CE2-CG 4.42Å; F67-R99 HydrophobicContact CZ-CG 3.92Å; G72-R99 VanDerWaalsContact O-CZ 3.3Å; G72-R99 PolarHBondContact O-NE 2.94Å; G72-R99 PolarHBondContact O-NH2 2.8Å; L95-R99 VanDerWaalsContact CD2-NH2 3.29Å; L95-R99 WeakPolarHBondContact O-CD 3.04Å; L95-R99 WeakPolarHBondContact O-CG 3.34Å; L95-R99 PolarHBondContact O-N 3.36Å; L95-R99 VanDerWaalsContact O-N 3.13Å; E96-R99 WeakPolarHBondContact O-CB 3.48Å; E96-R99 PolarHBondContact O-N 2.94Å; D97-R99 VanDerWaalsContact C-N 3.33Å; D97-R99 PolarHBondContact O-N 3.48Å; R99-S101 PolarHBondContact O-N 2.88Å
100	A	79.6	Confident	64.6	Low	43 Å²	43	78.1 Å²	78.1	36%	0.355	46%	0.461	S	S	.	.	H	α-helix	trans	-69.1	-9.3	178.4	0	0	0	0	0	113.4	E96 D97 V102 D103	E96-A100 WeakPolarHBondContact O-CB 3.18Å; E96-A100 PolarHBondContact O-N 3.05Å; D97-A100 PolarHBondContact O-N 3.49Å; A100-V102 PolarHBondContact O-N 2.6Å; A100-D103 PolarHBondContact O-N 2.88Å; A100-D103 VanDerWaalsContact O-N 3.1Å
101	S	72.2	Confident	62.5	Low	11 Å²	11	77.2 Å²	77.2	8%	0.077	47%	0.465	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67	-15.7	179.2	-64.1	0	0	0	0	114	D97 A98 R99	D97-S101 PolarHBondContact O-N 3.4Å; D97-S101 PolarHBondContact O-OG 2.86Å; D97-S101 VanDerWaalsContact O-OG 3.07Å; A98-S101 VanDerWaalsContact O-CB 3.28Å; A98-S101 WeakPolarHBondContact O-CB 3.43Å; A98-S101 PolarHBondContact O-N 2.85Å; A98-S101 PolarHBondContact O-OG 2.74Å; R99-S101 PolarHBondContact O-N 2.88Å
102	V	71.6	Confident	60.8	Low	40 Å²	40	81.4 Å²	81.4	24%	0.242	49%	0.489	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.5	-25.7	173.3	178.5	0	0	0	0	112.3	V51 F53 S69 A100	V51-V102 HydrophobicContact CB-CG1 4.09Å; V51-V102 WeakPolarHBondContact O-CG1 3.42Å; F53-V102 HydrophobicContact CB-CG2 3.5Å; S69-V102 VanDerWaalsContact CB-CG2 3.42Å; A100-V102 PolarHBondContact O-N 2.6Å
103	D	63.8	Low	58.9	Low	111 Å²	111	80.4 Å²	80.4	59%	0.594	50%	0.495	S	S	*	.			trans	-92.4	109.3	-167	-72.2	-32.5	0	0	0	112.1	A100	A100-D103 PolarHBondContact O-N 2.88Å; A100-D103 VanDerWaalsContact O-N 3.1Å
104	L	52.3	Low	57.1	Low	71 Å²	71	78.8 Å²	78.8	37%	0.372	50%	0.497	S	S	.	.			trans	-132.4	113.6	159.7	-80.3	162.3	0	0	0	109.6	H134	L104-H134 HydrophobicContact CD1-CB 3.73Å; L104-H134 VanDerWaalsContact CD1-CD2 3.44Å; L104-H134 WeakPolarHBondContact CD1-CD2 3.47Å
105	P	45.8	Very low	55	Low	92 Å²	92	83.2 Å²	83.2	60%	0.597	53%	0.529	S	S	*	.			trans	-73.2	135.2	156	27.3	-28.8	0	0	0	110	T107	P105-T107 HydrophobicContact CB-CG2 4.49Å; P105-T107 PolarHBondContact O-N 3.2Å
106	D	47.1	Very low	52.8	Low	171 Å²	171	88.8 Å²	88.8	91%	0.914	55%	0.554	S	S	*	*			trans	-67	42.1	166.2	-73	-39.2	0	0	0	112.1	G108	D106-G108 PolarHBondContact O-N 3.39Å
107	T	38.4	Very low	50.4	Low	96 Å²	96	91.7 Å²	91.7	59%	0.589	56%	0.56	S	S	*	*			trans	-87	107.9	169	44.2	0	0	0	0	107	P105 D109	P105-T107 HydrophobicContact CB-CG2 4.49Å; P105-T107 PolarHBondContact O-N 3.2Å; T107-D109 PolarHBondContact O-N 3.13Å
108	G	42	Very low	48.3	Very low	82 Å²	82	95.9 Å²	95.9	85%	0.845	57%	0.571	S	S	*	*	S	Bend	trans	-61.8	32.2	-179	0	0	0	0	0	116.3	D106	D106-G108 PolarHBondContact O-N 3.39Å
109	D	39.5	Very low	46.1	Very low	146 Å²	146	98.5 Å²	98.5	78%	0.781	60%	0.598	S	S	*	*			trans	-110.1	70.9	167.2	-62.6	-44.5	0	0	0	107.3	T107 G111	T107-D109 PolarHBondContact O-N 3.13Å; D109-G111 PolarHBondContact O-N 3.19Å
110	A	43.2	Very low	43.8	Very low	102 Å²	102	96.2 Å²	96.2	84%	0.843	59%	0.594	S	S	*	*			trans	-63.9	82.5	155.9	0	0	0	0	0	106.5	D112	A110-D112 PolarHBondContact O-N 2.8Å; A110-D112 VanDerWaalsContact O-N 3.12Å
111	G	35.2	Very low	41.7	Very low	64 Å²	64	102.5 Å²	102.5	66%	0.66	62%	0.616	S	S	*	*			trans	-53.7	118.9	167.7	0	0	0	0	0	107.1	D109 G113	D109-G111 PolarHBondContact O-N 3.19Å; G111-G113 PolarHBondContact O-N 3.04Å
112	D	39.7	Very low	40.2	Very low	135 Å²	135	103.2 Å²	103.2	72%	0.722	62%	0.619	S	S	*	*			trans	-16.1	86.6	165.8	178.7	15.2	0	0	0	113.2	A110 S114	A110-D112 PolarHBondContact O-N 2.8Å; A110-D112 VanDerWaalsContact O-N 3.12Å; D112-S114 VanDerWaalsContact CG-OG 3.31Å; D112-S114 PolarHBondContact O-N 2.7Å; D112-S114 WeakPolarHBondContact OD1-CB 3.32Å; D112-S114 PolarHBondContact OD1-OG 3.48Å
113	G	36.8	Very low	38.4	Very low	68 Å²	68	103.2 Å²	103.2	70%	0.701	62%	0.62	S	S	*	*			trans	-77.5	41.4	-175	0	0	0	0	0	112.8	G111	G111-G113 PolarHBondContact O-N 3.04Å
114	S	34.4	Very low	37.1	Very low	87 Å²	87	98.6 Å²	98.6	61%	0.608	60%	0.598	S	S	*	*			trans	-106.1	8	-170.1	68.7	0	0	0	0	115.3	D112	D112-S114 VanDerWaalsContact CG-OG 3.31Å; D112-S114 PolarHBondContact O-N 2.7Å; D112-S114 WeakPolarHBondContact OD1-CB 3.32Å; D112-S114 PolarHBondContact OD1-OG 3.48Å
115	S	28.2	Very low	36.2	Very low	100 Å²	100	98 Å²	98	70%	0.699	61%	0.61	S	S	*	*	S	Bend	trans	-139.6	123.1	176.6	62.6	0	0	0	0	111.7
116	E	30.9	Very low	35.8	Very low	135 Å²	135	94.5 Å²	94.5	63%	0.631	59%	0.588	S	S	*	*			trans	105.3	33.2	164.2	-146.8	144.2	96.9	0	0	117.9	R118	E116-R118 PolarHBondContact O-N 2.78Å; E116-R118 IonicContact OE2-CZ 2.74Å; E116-R118 IonicContact OE2-NH1 3.49Å; E116-R118 PolarHBondContact OE2-NH1 2.78Å; E116-R118 IonicContact OE2-NH2 3.18Å; E116-R118 PolarHBondContact OE2-NH2 2.74Å
117	W	29.4	Very low	35.4	Very low	185 Å²	185	91.1 Å²	91.1	70%	0.701	58%	0.578	S	S	*	*			trans	-70.2	45.1	152.2	-67.8	107.5	0	0	0	112.1	G119	W117-G119 PolarHBondContact O-N 3.17Å
118	R	28.7	Very low	35.6	Very low	154 Å²	154	89.7 Å²	89.7	58%	0.581	56%	0.564	S	S	*	*			trans	-92.8	90.5	176.6	-72.2	-160.3	-120.8	87.1	10.9	109.8	E116	E116-R118 PolarHBondContact O-N 2.78Å; E116-R118 IonicContact OE2-CZ 2.74Å; E116-R118 IonicContact OE2-NH1 3.49Å; E116-R118 PolarHBondContact OE2-NH1 2.78Å; E116-R118 IonicContact OE2-NH2 3.18Å; E116-R118 PolarHBondContact OE2-NH2 2.74Å
119	G	28.6	Very low	35.4	Very low	59 Å²	59	87.8 Å²	87.8	61%	0.608	54%	0.537	S	S	*	.	S	Bend	trans	119.9	3	136	0	0	0	0	0	119.2	W117 H121	W117-G119 PolarHBondContact O-N 3.17Å; G119-H121 PolarHBondContact O-N 2.77Å
120	L	31.8	Very low	35.6	Very low	69 Å²	69	86.8 Å²	86.8	36%	0.361	53%	0.532	S	S	.	.			trans	-93	84.2	173.8	-77.5	145	0	0	0	109.9	E93 I94 L122	E93-L120 HydrophobicContact CB-CD1 4Å; E93-L120 HydrophobicContact CB-CD2 4.03Å; I94-L120 HydrophobicContact CD1-CD2 4.48Å; I94-L120 HydrophobicContact CG1-CD2 3.78Å; L120-L122 PolarHBondContact O-N 3.18Å
121	H	36.7	Very low	36.2	Very low	174 Å²	174	88.8 Å²	88.8	81%	0.806	52%	0.518	S	S	*	.			trans	-70.6	101.7	162.9	-75.4	43.9	0	0	0	107.4	G119 P123	G119-H121 PolarHBondContact O-N 2.77Å; H121-P123 WeakPolarHBondContact O-CD 3.4Å
122	L	39.8	Very low	37.2	Very low	26 Å²	26	86.4 Å²	86.4	14%	0.136	49%	0.49	C	S	.	.			trans	-56.7	122.1	156.3	-67.9	168.5	0	0	0	106.6	I94 L120 G124	I94-L122 HydrophobicContact CD1-CD2 4.41Å; I94-L122 HydrophobicContact CG1-CD2 4.48Å; I94-L122 HydrophobicContact CG2-CD2 3.82Å; L120-L122 PolarHBondContact O-N 3.18Å; L122-G124 PolarHBondContact O-N 2.82Å; L122-G124 VanDerWaalsContact O-N 3.16Å
123	P	34.3	Very low	38.2	Very low	41 Å²	41	80.6 Å²	80.6	27%	0.266	46%	0.46	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.8	118.5	175.5	28.2	-28.9	0	0	0	107	Y87 W88 H121	Y87-P123 HydrophobicContact CE1-CG 4.45Å; W88-P123 HydrophobicContact CZ2-CG 4.11Å; W88-P123 VanDerWaalsContact NE1-CG 3.34Å; H121-P123 WeakPolarHBondContact O-CD 3.4Å
124	G	36.4	Very low	39.2	Very low	13 Å²	13	83.2 Å²	83.2	13%	0.134	45%	0.454	C	S	.	.	T	Hydrogen-bonded Turn	trans	136.4	6.8	-171.4	0	0	0	0	0	115.1	L122 A126 C144	L122-G124 PolarHBondContact O-N 2.82Å; L122-G124 VanDerWaalsContact O-N 3.16Å; G124-A126 PolarHBondContact O-N 2.87Å; G124-C144 PolarHBondContact O-SG 3.37Å
125	G	33.7	Very low	40.2	Very low	60 Å²	60	82 Å²	82	62%	0.619	46%	0.455	S	S	*	.			trans	62.7	3.2	167.7	0	0	0	0	0	116.5	S127	G125-S127 PolarHBondContact O-N 3.48Å
126	A	37.1	Very low	41.6	Very low	18 Å²	18	84 Å²	84	15%	0.149	45%	0.453	C	S	.	.			trans	-75.3	95.6	168.1	0	0	0	0	0	106.9	G124 Q128 H142	G124-A126 PolarHBondContact O-N 2.87Å; A126-Q128 VanDerWaalsContact C-N 3.31Å; A126-Q128 PolarHBondContact O-N 3.25Å; A126-H142 HydrophobicContact CB-CB 4.19Å
127	S	39.5	Very low	43	Very low	99 Å²	99	80.4 Å²	80.4	69%	0.692	44%	0.44	S	S	*	.			trans	-46.4	108.3	151.8	51.7	0	0	0	0	106.3	G125 P129	G125-S127 PolarHBondContact O-N 3.48Å; S127-P129 VanDerWaalsContact O-CD 3.26Å; S127-P129 WeakPolarHBondContact O-CD 3.34Å
128	Q	40.9	Very low	44.6	Very low	66 Å²	66	78.2 Å²	78.2	31%	0.308	44%	0.438	S	S	.	.			trans	-51.1	111.6	179.6	-162.8	156.5	1.3	0	0	106.2	A126 D130	A126-Q128 VanDerWaalsContact C-N 3.31Å; A126-Q128 PolarHBondContact O-N 3.25Å; Q128-D130 PolarHBondContact O-N 3.28Å
129	P	38.7	Very low	46.4	Very low	42 Å²	42	74.4 Å²	74.4	27%	0.273	44%	0.435	S	S	.	.			trans	-62.9	136.8	170.2	31.6	-35.1	0	0	0	105	S127 R131 H142	S127-P129 VanDerWaalsContact O-CD 3.26Å; S127-P129 WeakPolarHBondContact O-CD 3.34Å; P129-R131 PolarHBondContact O-N 2.64Å; P129-H142 VanDerWaalsContact CD-CE1 3.45Å; P129-H142 WeakPolarHBondContact CD-CE1 3.23Å; P129-H142 WeakPolarHBondContact CD-NE2 3.32Å; P129-H142 VanDerWaalsContact CG-CE1 3.48Å; P129-H142 WeakPolarHBondContact CG-CE1 3.48Å; P129-H142 VanDerWaalsContact CG-NE2 3.33Å; P129-H142 WeakPolarHBondContact CG-NE2 3.42Å
130	D	43.4	Very low	48.1	Very low	126 Å²	126	73.5 Å²	73.5	67%	0.674	42%	0.418	S	S	*	.	S	Bend	trans	-35.1	115.8	170.2	-60.5	-61.5	0	0	0	110.1	Q128	Q128-D130 PolarHBondContact O-N 3.28Å
131	R	55.4	Low	49.7	Very low	144 Å²	144	74.3 Å²	74.3	54%	0.543	43%	0.425	S	S	.	.			trans	23.7	92.2	171.9	-62.9	-174.8	-177.7	174.3	1.9	114.2	P129 C133 H134	P129-R131 PolarHBondContact O-N 2.64Å; R131-C133 PolarHBondContact O-N 3.49Å; R131-H134 WeakPolarHBondContact O-CB 2.98Å; R131-H134 PolarHBondContact O-N 3.38Å
132	P	55.8	Low	50.9	Low	13 Å²	13	67.5 Å²	67.5	8%	0.084	39%	0.394	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.7	-21.1	-164	18.5	-31.1	0	0	0	115.9	C42 F53 H134	C42-P132 VanDerWaalsContact SG-C 3.59Å; F53-P132 HydrophobicContact CD2-CG 4.03Å; F53-P132 HydrophobicContact CE1-CG 4.43Å; F53-P132 HydrophobicContact CE2-CB 3.85Å; F53-P132 HydrophobicContact CE2-CG 3.23Å; F53-P132 HydrophobicContact CZ-CB 4.46Å; F53-P132 HydrophobicContact CZ-CG 3.47Å; F53-P132 VanDerWaalsContact CZ-CG 3.47Å; P132-H134 VanDerWaalsContact C-N 3.33Å
133	C	60.9	Low	52.1	Low	13 Å²	13	71.7 Å²	71.7	9%	0.088	42%	0.415	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.2	13.8	174.8	-55.8	0	0	0	0	114.3	C42 V51 R131 G135	C42-C133 HydrophobicContact CB-CB 3.91Å; C42-C133 WeakPolarHBondContact CB-SG 3.48Å; C42-C133 WeakPolarHBondContact SG-CA 3.44Å; C42-C133 WeakPolarHBondContact SG-CB 3.5Å; C42-C133 PolarHBondContact SG-N 2.86Å; C42-C133 VanDerWaalsContact SG-N 3.42Å; C42-C133 CovalentContact SG-SG 2.04Å; C42-C133 PolarHBondContact SG-SG 2.8Å; V51-C133 HydrophobicContact CG1-CB 4.07Å; R131-C133 PolarHBondContact O-N 3.49Å; C133-G135 PolarHBondContact O-N 3.49Å
134	H	58.3	Low	53.3	Low	124 Å²	124	70.2 Å²	70.2	57%	0.574	41%	0.405	S	S	*	.	S	Bend	trans	-71.1	119.6	173.3	-171.5	-83.4	0	0	0	111.1	L104 R131 P132	L104-H134 HydrophobicContact CD1-CB 3.73Å; L104-H134 VanDerWaalsContact CD1-CD2 3.44Å; L104-H134 WeakPolarHBondContact CD1-CD2 3.47Å; R131-H134 WeakPolarHBondContact O-CB 2.98Å; R131-H134 PolarHBondContact O-N 3.38Å; P132-H134 VanDerWaalsContact C-N 3.33Å
135	G	55.4	Low	54.2	Low	60 Å²	60	73.3 Å²	73.3	62%	0.619	42%	0.422	S	S	*	.	S	Bend	trans	68.4	65.2	172	0	0	0	0	0	115.1	C133 V137	C133-G135 PolarHBondContact O-N 3.49Å; G135-V137 WeakPolarHBondContact O-CG2 3.25Å; G135-V137 PolarHBondContact O-N 2.8Å
136	Q	59	Low	54.9	Low	142 Å²	142	75.2 Å²	75.2	66%	0.664	42%	0.415	S	S	*	.	S	Bend	trans	43.6	25.7	170.1	-64.5	-167.4	-53.8	0	0	116.5	E138	Q136-E138 PolarHBondContact O-N 2.9Å
137	V	60	Low	55.3	Low	61 Å²	61	82 Å²	82	37%	0.37	44%	0.443	S	S	.	.			trans	-78.7	117.6	172.4	179.2	0	0	0	0	107.5	C42 G135	C42-V137 WeakPolarHBondContact CB-O 3.47Å; G135-V137 WeakPolarHBondContact O-CG2 3.25Å; G135-V137 PolarHBondContact O-N 2.8Å
138	E	63.1	Low	55.4	Low	138 Å²	138	80.6 Å²	80.6	65%	0.645	43%	0.428	S	S	*	.			trans	-81.9	-27.1	-175.9	-65.7	-175.9	149.3	0	0	112.9	E41 C42 F44 Q136	E41-E138 WeakPolarHBondContact CA-O 3.2Å; C42-E138 PolarHBondContact N-O 2.88Å; F44-E138 HydrophobicContact CD2-CG 4.36Å; Q136-E138 PolarHBondContact O-N 2.9Å
139	S	65.9	Low	55.4	Low	74 Å²	74	78.1 Å²	78.1	52%	0.517	42%	0.417	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-160.6	138.3	-178.5	-61.3	0	0	0	0	113.2	S40	S40-S139 CarbonylContact O-C 3.54Å; S40-S139 WeakPolarHBondContact O-CA 3.46Å
140	T	63.1	Low	55.2	Low	41 Å²	41	81.1 Å²	81.1	25%	0.252	43%	0.428	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	143.3	171.1	-56.6	0	0	0	0	109.8	T39 S40 H142	T39-T140 CarbonylContact C-O 3.57Å; T39-T140 VanDerWaalsContact CA-O 3.3Å; T39-T140 WeakPolarHBondContact CA-O 3.33Å; S40-T140 PolarHBondContact N-O 3.47Å; S40-T140 PolarHBondContact O-N 2.71Å; T140-H142 WeakPolarHBondContact CG2-NE2 3.25Å
141	V	66.3	Low	54.7	Low	86 Å²	86	85.7 Å²	85.7	52%	0.521	44%	0.436	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	125.8	177.9	-175.8	0	0	0	0	109.6	Y37 S38 T39 I143	Y37-V141 HydrophobicContact CD2-CG1 4.27Å; S38-V141 WeakPolarHBondContact O-CA 3.31Å; T39-V141 HydrophobicContact CG2-CG1 4.24Å; T39-V141 HydrophobicContact CG2-CG2 4.03Å; V141-I143 HydrophobicContact CG1-CG1 4.01Å
142	H	62.2	Low	53.8	Low	31 Å²	31	79.9 Å²	79.9	14%	0.144	42%	0.417	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	123.4	174.2	-60.5	-84.8	0	0	0	109.1	Y37 S38 A126 P129 T140	Y37-H142 CarbonylContact C-O 3.43Å; Y37-H142 WeakPolarHBondContact CA-O 3.28Å; Y37-H142 WeakPolarHBondContact CB-O 3.28Å; S38-H142 PolarHBondContact N-O 2.83Å; S38-H142 PolarHBondContact O-N 3.13Å; A126-H142 HydrophobicContact CB-CB 4.19Å; P129-H142 VanDerWaalsContact CD-CE1 3.45Å; P129-H142 WeakPolarHBondContact CD-CE1 3.23Å; P129-H142 WeakPolarHBondContact CD-NE2 3.32Å; P129-H142 VanDerWaalsContact CG-CE1 3.48Å; P129-H142 WeakPolarHBondContact CG-CE1 3.48Å; P129-H142 VanDerWaalsContact CG-NE2 3.33Å; P129-H142 WeakPolarHBondContact CG-NE2 3.42Å; T140-H142 WeakPolarHBondContact CG2-NE2 3.25Å
143	I	64	Low	52.9	Low	114 Å²	114	82.3 Å²	82.3	59%	0.585	43%	0.425	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-113.1	124.8	-178.3	-57.5	174.7	0	0	0	108.8	L35 V141	L35-I143 HydrophobicContact CD1-CG2 3.72Å; V141-I143 HydrophobicContact CG1-CG1 4.01Å
144	C	60	Low	51.8	Low	9 Å²	9	85 Å²	85	6%	0.061	46%	0.455	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	131.5	175.9	-54.8	0	0	0	0	108.5	E36 G124 D148	E36-C144 HydrophobicContact CB-CB 4.24Å; E36-C144 WeakPolarHBondContact O-CB 3.2Å; E36-C144 PolarHBondContact O-N 3.4Å; G124-C144 PolarHBondContact O-SG 3.37Å; C144-D148 HydrophobicContact CB-CB 4.04Å
145	T	55.8	Low	50.6	Low	78 Å²	78	85.1 Å²	85.1	48%	0.479	46%	0.459	S	S	.	.			trans	-84.1	167.5	178.8	70.1	0	0	0	0	110.5	Q147 D148 V149	T145-Q147 PolarHBondContact O-N 2.93Å; T145-D148 WeakPolarHBondContact CB-OD2 3.38Å; T145-D148 PolarHBondContact N-OD2 3.48Å; T145-D148 WeakPolarHBondContact O-CA 3.48Å; T145-D148 WeakPolarHBondContact O-CB 3.36Å; T145-D148 PolarHBondContact O-N 3.46Å; T145-D148 PolarHBondContact OG1-OD2 3.44Å; T145-V149 WeakPolarHBondContact O-CG2 3.36Å; T145-V149 PolarHBondContact O-N 3.41Å; T145-V149 VanDerWaalsContact O-N 3.13Å
146	E	49	Very low	49.7	Very low	101 Å²	101	92.8 Å²	92.8	47%	0.472	47%	0.469	S	S	.	.	H	α-helix	trans	-56.2	-25	-180	-161.8	173	163.5	0	0	113.4	D148	E146-D148 VanDerWaalsContact C-N 3.31Å
147	Q	43.9	Very low	48.5	Very low	160 Å²	160	90.4 Å²	90.4	75%	0.748	47%	0.473	S	S	*	.	H	α-helix	trans	-74.8	-18.3	173.8	-68.2	174.5	12.2	0	0	113.4	T145	T145-Q147 PolarHBondContact O-N 2.93Å
148	D	42.5	Very low	46.8	Very low	69 Å²	69	90.4 Å²	90.4	37%	0.369	49%	0.486	S	S	.	.	H	α-helix	trans	-96.3	-30.8	179.6	-52.4	-58.6	0	0	0	111.8	C144 T145 E146 E150 W151 S152	C144-D148 HydrophobicContact CB-CB 4.04Å; T145-D148 WeakPolarHBondContact CB-OD2 3.38Å; T145-D148 PolarHBondContact N-OD2 3.48Å; T145-D148 WeakPolarHBondContact O-CA 3.48Å; T145-D148 WeakPolarHBondContact O-CB 3.36Å; T145-D148 PolarHBondContact O-N 3.46Å; T145-D148 PolarHBondContact OG1-OD2 3.44Å; E146-D148 VanDerWaalsContact C-N 3.31Å; D148-E150 VanDerWaalsContact C-N 3.31Å; D148-E150 PolarHBondContact O-N 3.28Å; D148-W151 PolarHBondContact O-N 3.47Å; D148-S152 PolarHBondContact O-N 2.78Å
149	V	41.2	Very low	45.2	Very low	14 Å²	14	90.1 Å²	90.1	9%	0.085	50%	0.496	C	S	.	.	H	α-helix	trans	-63.6	-33.8	179.6	177.8	0	0	0	0	112.1	F34 E36 T145 W151 S152 W153	F34-V149 HydrophobicContact CB-CG1 4.46Å; E36-V149 HydrophobicContact CB-CG2 3.75Å; T145-V149 WeakPolarHBondContact O-CG2 3.36Å; T145-V149 PolarHBondContact O-N 3.41Å; T145-V149 VanDerWaalsContact O-N 3.13Å; V149-W151 PolarHBondContact O-N 2.97Å; V149-S152 PolarHBondContact O-N 3Å; V149-W153 PolarHBondContact O-N 3.45Å
150	E	33.2	Very low	43.4	Very low	105 Å²	105	90.6 Å²	90.6	49%	0.491	50%	0.504	S	S	.	.	H	α-helix	trans	-62.7	-24.8	178.7	-143.4	-179	145.3	0	0	112.3	D148	D148-E150 VanDerWaalsContact C-N 3.31Å; D148-E150 PolarHBondContact O-N 3.28Å
151	W	33.2	Very low	41.7	Very low	223 Å²	223	95.8 Å²	95.8	85%	0.845	53%	0.53	S	S	*	.	H	α-helix	trans	-90.8	-19.6	175.4	-62.4	96.5	0	0	0	113.9	D148 V149	D148-W151 PolarHBondContact O-N 3.47Å; V149-W151 PolarHBondContact O-N 2.97Å
152	S	37.5	Very low	39.6	Very low	22 Å²	22	98 Å²	98	15%	0.154	55%	0.546	C	S	.	.	H	α-helix	trans	-75.3	-36.8	174.9	-173.9	0	0	0	0	111.8	E36 D148 V149	E36-S152 PolarHBondContact OE1-OG 2.95Å; E36-S152 VanDerWaalsContact OE2-CB 3.25Å; E36-S152 WeakPolarHBondContact OE2-CB 3.41Å; E36-S152 PolarHBondContact OE2-OG 2.76Å; D148-S152 PolarHBondContact O-N 2.78Å; V149-S152 PolarHBondContact O-N 3Å
153	W	36.7	Very low	38.1	Very low	64 Å²	64	100.3 Å²	100.3	24%	0.242	58%	0.578	C	S	.	*	T	Hydrogen-bonded Turn	trans	-112.9	2.8	-170.6	-62.1	88	0	0	0	116.3	E36 Y59 Y64 L80 V149 L155	E36-W153 PolarHBondContact OE2-NE1 3.36Å; Y59-W153 HydrophobicContact CD2-CZ2 4.47Å; Y64-W153 AromaticContact CD2-CH2 3.94Å; Y64-W153 HydrophobicContact CD2-CH2 3.94Å; Y64-W153 HydrophobicContact CD2-CZ2 4.29Å; Y64-W153 HydrophobicContact CE1-CZ2 4.36Å; Y64-W153 AromaticContact CE2-CH2 3.76Å; Y64-W153 HydrophobicContact CE2-CH2 3.76Å; Y64-W153 AromaticContact CE2-CZ2 3.83Å; Y64-W153 HydrophobicContact CE2-CZ2 3.83Å; Y64-W153 AromaticContact CZ-CZ2 3.87Å; L80-W153 HydrophobicContact CD1-CE3 4.4Å; L80-W153 HydrophobicContact CD1-CH2 3.92Å; L80-W153 HydrophobicContact CD1-CZ3 3.6Å; L80-W153 HydrophobicContact CD2-CH2 3.81Å; L80-W153 HydrophobicContact CD2-CZ2 4.29Å; L80-W153 HydrophobicContact CD2-CZ3 4.35Å; L80-W153 HydrophobicContact CG-CH2 3.57Å; L80-W153 HydrophobicContact CG-CZ3 3.79Å; V149-W153 PolarHBondContact O-N 3.45Å; W153-L155 PolarHBondContact O-N 2.95Å
154	G	38.4	Very low	36.3	Very low	69 Å²	69	99.6 Å²	99.6	71%	0.711	58%	0.583	S	S	*	*	T	Hydrogen-bonded Turn	trans	57.9	40.2	172.6	0	0	0	0	0	115.7
155	L	32.4	Very low	34.6	Very low	126 Å²	126	102.8 Å²	102.8	66%	0.66	62%	0.617	S	S	*	*			trans	-121.9	91.3	-177.3	-75.8	168.2	0	0	0	113.9	W153	W153-L155 PolarHBondContact O-N 2.95Å
156	R	35.8	Very low	33.1	Very low	221 Å²	221	103.6 Å²	103.6	83%	0.834	63%	0.632	S	S	*	*			trans	37.4	113.6	144	-120.5	-174.9	-66.8	-112.7	-2.1	121.7
157	A	33.5	Very low	31.9	Very low	92 Å²	92	105.6 Å²	105.6	76%	0.76	65%	0.651	S	S	*	*			trans	84.5	105.3	130	0	0	0	0	0	120.9
158	G	25.2	Very low	30.9	Very low	61 Å²	61	106.1 Å²	106.1	63%	0.629	65%	0.653	S	S	*	*			trans	-152.5	157.3	160.2	0	0	0	0	0	111.3
159	P	29.7	Very low	30.2	Very low	133 Å²	133	110.1 Å²	110.1	86%	0.864	67%	0.674	S	S	*	*	P	Polyproline II helix	trans	-71.9	139.9	-142.9	30	-34.8	0	0	0	114.8	L161	P159-L161 PolarHBondContact O-N 3.36Å
160	A	28.5	Very low	29.4	Very low	83 Å²	83	116.9 Å²	116.9	69%	0.686	71%	0.708	S	S	*	*	P	Polyproline II helix	trans	-58.3	121.1	173.9	0	0	0	0	0	111.7
161	L	26.3	Very low	29	Very low	151 Å²	151	120.3 Å²	120.3	79%	0.791	72%	0.724	S	S	*	*	P	Polyproline II helix	trans	-70.4	146.1	154	-72.4	174.5	0	0	0	108.7	P159 G163	P159-L161 PolarHBondContact O-N 3.36Å; L161-G163 PolarHBondContact O-N 2.89Å; L161-G163 VanDerWaalsContact O-N 3.16Å
162	P	23.7	Very low	28.8	Very low	132 Å²	132	118 Å²	118	86%	0.857	72%	0.723	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.9	115.9	-161.1	28.2	-33.1	0	0	0	110.5
163	G	30.2	Very low	29.1	Very low	79 Å²	79	122 Å²	122	81%	0.814	75%	0.748	S	S	*	*	T	Hydrogen-bonded Turn	trans	155.6	-16.1	178.4	0	0	0	0	0	114.9	L161	L161-G163 PolarHBondContact O-N 2.89Å; L161-G163 VanDerWaalsContact O-N 3.16Å
164	S	24.6	Very low	28.7	Very low	100 Å²	100	127 Å²	127	70%	0.699	77%	0.774	S	S	*	*			trans	-101.7	105.2	-177.7	-52	0	0	0	0	110.9
165	G	24.4	Very low	28.6	Very low	75 Å²	75	134.4 Å²	134.4	77%	0.773	78%	0.781	S	S	*	*			trans	-62	134.6	170.9	0	0	0	0	0	111.2
166	A	25.3	Very low	28.3	Very low	95 Å²	95	133.5 Å²	133.5	79%	0.785	78%	0.781	S	S	*	*			trans	-61.2	142	174.1	0	0	0	0	0	111.6
167	V	24.8	Very low	28	Very low	144 Å²	144	128.3 Å²	128.3	87%	0.873	77%	0.773	S	S	*	*			trans	-137	116.2	153	-174.5	0	0	0	0	109
168	H	22	Very low	27.8	Very low	171 Å²	171	134.8 Å²	134.8	79%	0.792	78%	0.778	S	S	*	*			trans	-47.5	151.9	166.2	-94.2	-110	0	0	0	111.9	L170	H168-L170 PolarHBondContact O-N 3.33Å
169	L	26.9	Very low	27.8	Very low	153 Å²	153	137.5 Å²	137.5	80%	0.801	78%	0.783	S	S	*	*			trans	-41.3	139.5	157.2	-77.1	159.7	0	0	0	110.3
170	L	26.1	Very low	27.8	Very low	156 Å²	156	135 Å²	135	82%	0.817	77%	0.769	S	S	*	*				175.6	137.7	126	-89.8	166.6	0	0	0	109.5	H168	H168-L170 PolarHBondContact O-N 3.33Å
171	Q	24.7	Very low	27.8	Very low	177 Å²	177	136 Å²	136	83%	0.827	78%	0.777	S	S	*	*			trans	64.9	130.7	154.8	-140.7	86.8	3.4	0	0	118
172	E	27.3	Very low	27.9	Very low	175 Å²	175	135.5 Å²	135.5	82%	0.818	78%	0.775	S	S	*	*			trans	-53.8	-171.3	166.4	-50.5	-165.9	126.8	0	0	114
173	P	44.6	Very low	28.2	Very low	105 Å²	105	140.7 Å²	140.7	68%	0.682	78%	0.777	S	S	*	*				-116.2	-163.9	-51.4	23.1	-2.1	0	0	0	107.5
174	E	27.4	Very low	28.2	Very low	168 Å²	168	142.4 Å²	142.4	79%	0.785	77%	0.772	S	S	*	*			trans	113.2	94.5	167.5	-52.1	-146.4	175.8	0	0	115.3
175	R	36.5	Very low	28.5	Very low	225 Å²	225	143.4 Å²	143.4	85%	0.849	78%	0.776	S	S	*	*			trans	48.3	99.7	132.9	-158.8	-171.9	-60.9	-148.1	1.9	115.2
176	T	26.1	Very low	28.7	Very low	108 Å²	108	149.1 Å²	149.1	66%	0.663	78%	0.783	S	S	*	*			trans	-136.2	102.8	152.2	-37	0	0	0	0	109.9	W178	T176-W178 HydrophobicContact CG2-CZ2 3.89Å
177	V	30.8	Very low	29.1	Very low	112 Å²	112	153 Å²	153	68%	0.679	79%	0.79	S	S	*	*			trans	-66.2	132.7	169.1	173.7	0	0	0	0	108.2
178	W	28.9	Very low	29.5	Very low	227 Å²	227	161.4 Å²	161.4	86%	0.86	81%	0.806	S	S	*	*			trans	-132.4	125.8	163.3	-69.1	107.3	0	0	0	112	T176	T176-W178 HydrophobicContact CG2-CZ2 3.89Å
179	T	24.9	Very low	29.8	Very low	119 Å²	119	160.9 Å²	160.9	73%	0.73	81%	0.806	S	S	*	*			trans	-90.2	154.4	-176.7	47.3	0	0	0	0	112.5
180	S	30.5	Very low	30	Very low	80 Å²	80	161.3 Å²	161.3	56%	0.559	81%	0.807	S	S	*	*			trans	-50.9	147.6	175.7	65.5	0	0	0	0	116.1
181	A	28.5	Very low	30.2	Very low	104 Å²	104	161.6 Å²	161.6	86%	0.86	81%	0.806	S	S	*	*			trans	-126	104	158.6	0	0	0	0	0	110.4
182	N	28.6	Very low	30.5	Very low	141 Å²	141	160.7 Å²	160.7	75%	0.754	81%	0.805	S	S	*	*			trans	-77	136.8	161.4	-172.1	12.4	0	0	0	108.6
183	R	29.6	Very low	30.7	Very low	240 Å²	240	159.8 Å²	159.8	91%	0.906	80%	0.804	S	S	*	*			trans	-158.2	113.9	150.3	-115.7	-172.4	-68.9	175.7	0.5	112
184	T	28.9	Very low	29.8	Very low	116 Å²	116	163.5 Å²	163.5	71%	0.712	81%	0.812	S	S	*	*			trans	-56.2	144.5	167.2	-17.6	0	0	0	0	111.7	E186	T184-E186 PolarHBondContact O-N 3.16Å
185	P	30.8	Very low	30	Very low	120 Å²	120	163.1 Å²	163.1	78%	0.779	81%	0.814	S	S	*	*			trans	-78.7	115.6	165.3	29.7	-28.2	0	0	0	109.5	L187	P185-L187 PolarHBondContact O-N 2.8Å
186	E	29.9	Very low	29.5	Very low	195 Å²	195	158.4 Å²	158.4	91%	0.911	81%	0.811	S	S	*	*			trans	-66.8	123.1	162.3	-109.5	-168.3	134.6	0	0	108.7	T184	T184-E186 PolarHBondContact O-N 3.16Å
187	L	33.8	Very low	29.8	Very low	178 Å²	178	162.6 Å²	162.6	93%	0.932	82%	0.824	S	S	*	*			trans	-68.6	123.6	164.3	-80.2	157.7	0	0	0	109.1	P185	P185-L187 PolarHBondContact O-N 2.8Å
188	R	31.9	Very low	29.7	Very low	319 Å²	319	167.2 Å²	167.2	100%	1.204	84%	0.837	S	S	*	*			trans	-141.5	0	154.4	-150.3	-174.4	-141.2	166.2	8.7	110.5

Retrieved 188 of 188 residues in 124.7 ms (Link to these results)

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