A0A060XG40_ONCMY Loading...

Syncollin, tandem duplicate 2

AlphaFold DB , UniProt , Accession A0A060XG40, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene n/a, Length 131 aa.

						>A0A060XG40_ONCMY|A0A060XG40
MKVMIALLLSTLCFEVLNAQCPEANALKDADGVKLCARMFEDSHYYYEQSCGGEYLDAYPGEDVPIIPWRWNNRISSLVVSRGCSLTVWKYTKKRGSKSKFGAGIKYRLKETMQGLFGDWENDISGYYCVC
					

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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	38.3	Very low	48.3	Very low	245 Å²	245	153.5 Å²	153.5	100%	1.207	83%	0.833	S	S	*	*				0	105.6	0	-68.8	169	174.2	0	0	108
2	K	40.4	Very low	48.5	Very low	212 Å²	212	151.8 Å²	151.8	92%	0.922	82%	0.822	S	S	*	*			trans	-129.8	119.9	172.8	-86.8	178.4	173.3	176.6	0	107.1
3	V	44.5	Very low	48.3	Very low	141 Å²	141	148.7 Å²	148.7	86%	0.855	82%	0.817	S	S	*	*			trans	-68.7	135.1	-168.7	176.9	0	0	0	0	110
4	M	49.3	Very low	48.1	Very low	166 Å²	166	150.6 Å²	150.6	82%	0.818	81%	0.813	S	S	*	*			trans	-71.7	141.8	172.7	-55.6	-151.2	83.2	0	0	111
5	I	48.9	Very low	48	Very low	148 Å²	148	151.9 Å²	151.9	76%	0.759	81%	0.812	S	S	*	*			trans	-140.4	98.8	150.3	-59.2	-178.3	0	0	0	107.3
6	A	52	Low	47.9	Very low	84 Å²	84	149.1 Å²	149.1	69%	0.694	80%	0.802	S	S	*	*			trans	-82.3	111.8	166.7	0	0	0	0	0	108	L8	A6-L8 PolarHBondContact O-N 3.28Å
7	L	48.9	Very low	48.1	Very low	149 Å²	149	150.6 Å²	150.6	78%	0.78	81%	0.808	S	S	*	*			trans	-81.5	95.2	173.2	-94.4	141.4	0	0	0	109.1	L9	L7-L9 PolarHBondContact O-N 2.91Å
8	L	51.7	Low	48.3	Very low	164 Å²	164	147.3 Å²	147.3	86%	0.859	79%	0.79	S	S	*	*			trans	-74.6	98.9	163.4	-90	147.9	0	0	0	108.4	A6 S10	A6-L8 PolarHBondContact O-N 3.28Å; L8-S10 VanDerWaalsContact C-N 3.33Å; L8-S10 PolarHBondContact O-N 3.15Å; L8-S10 VanDerWaalsContact O-N 3.07Å
9	L	51.5	Low	48.9	Very low	156 Å²	156	140.8 Å²	140.8	82%	0.817	76%	0.76	S	S	*	*			trans	-73.9	87.2	166.9	-86.2	142.5	0	0	0	108.6	L7 T11	L7-L9 PolarHBondContact O-N 2.91Å; L9-T11 PolarHBondContact O-N 2.77Å; L9-T11 VanDerWaalsContact O-N 3.12Å
10	S	50.9	Low	50.4	Low	97 Å²	97	142.2 Å²	142.2	68%	0.678	76%	0.761	S	S	*	*			trans	-68.7	100.2	163.6	55.6	0	0	0	0	108.4	L8 L12	L8-S10 VanDerWaalsContact C-N 3.33Å; L8-S10 PolarHBondContact O-N 3.15Å; L8-S10 VanDerWaalsContact O-N 3.07Å; S10-L12 PolarHBondContact O-N 2.95Å
11	T	55.3	Low	52.4	Low	127 Å²	127	136 Å²	136	78%	0.779	73%	0.728	S	S	*	*			trans	-65	88.4	167.2	48.2	0	0	0	0	108.6	L9 C13	L9-T11 PolarHBondContact O-N 2.77Å; L9-T11 VanDerWaalsContact O-N 3.12Å; T11-C13 PolarHBondContact O-N 3.18Å
12	L	49.8	Very low	55.1	Low	132 Å²	132	126 Å²	126	69%	0.691	68%	0.682	S	S	*	*			trans	-65	92.9	158.8	-73.9	159.7	0	0	0	106.2	S10 F14	S10-L12 PolarHBondContact O-N 2.95Å; L12-F14 HydrophobicContact CB-CD2 4.11Å; L12-F14 HydrophobicContact CB-CE2 4.02Å; L12-F14 HydrophobicContact CD1-CE2 4.42Å; L12-F14 PolarHBondContact O-N 3.13Å
13	C	46	Very low	57.6	Low	112 Å²	112	122 Å²	122	76%	0.757	67%	0.667	S	S	*	*			trans	-62.1	91.1	159.1	-79.4	0	0	0	0	106.5	T11 E15	T11-C13 PolarHBondContact O-N 3.18Å; C13-E15 PolarHBondContact O-N 2.75Å
14	F	45.3	Very low	60	Low	176 Å²	176	115.8 Å²	115.8	77%	0.772	63%	0.63	S	S	*	*			trans	-64.1	93.9	154	-79.2	-91.5	0	0	0	105.3	L12 V16	L12-F14 HydrophobicContact CB-CD2 4.11Å; L12-F14 HydrophobicContact CB-CE2 4.02Å; L12-F14 HydrophobicContact CD1-CE2 4.42Å; L12-F14 PolarHBondContact O-N 3.13Å; F14-V16 PolarHBondContact O-N 2.91Å
15	E	46.5	Very low	62	Low	169 Å²	169	111.7 Å²	111.7	79%	0.79	61%	0.612	S	S	*	*			trans	-60.1	101	159.3	-65.3	-156.1	171.1	0	0	105.6	C13 L17	C13-E15 PolarHBondContact O-N 2.75Å; E15-L17 PolarHBondContact O-N 3.4Å
16	V	47.1	Very low	64	Low	107 Å²	107	107.9 Å²	107.9	65%	0.648	60%	0.602	S	S	*	*			trans	-53.6	112.3	162.8	179	0	0	0	0	104.5	F14 N18	F14-V16 PolarHBondContact O-N 2.91Å; V16-N18 WeakPolarHBondContact CG1-ND2 3.46Å; V16-N18 PolarHBondContact O-N 3.26Å
17	L	50.6	Low	66.1	Low	175 Å²	175	104 Å²	104	92%	0.916	57%	0.57	S	S	*	*			trans	-61.2	72.9	168.6	-86.8	89.6	0	0	0	108.4	E15 A19	E15-L17 PolarHBondContact O-N 3.4Å; L17-A19 PolarHBondContact O-N 3.43Å
18	N	52.8	Low	68.4	Low	91 Å²	91	102.5 Å²	102.5	49%	0.487	56%	0.557	S	S	.	*			trans	-81	106.7	156.7	-75.1	-51.6	0	0	0	103.9	V16 Q20	V16-N18 WeakPolarHBondContact CG1-ND2 3.46Å; V16-N18 PolarHBondContact O-N 3.26Å; N18-Q20 VanDerWaalsContact C-N 3.28Å; N18-Q20 PolarHBondContact O-N 3.07Å
19	A	59.4	Low	70.5	Confident	25 Å²	25	95.7 Å²	95.7	21%	0.207	52%	0.521	C	S	.	.			trans	-64.6	93.4	-177.4	0	0	0	0	0	109.5	L17 E48 Q49 S50	L17-A19 PolarHBondContact O-N 3.43Å; A19-E48 CarbonylContact C-O 3.54Å; A19-E48 CarbonylContact O-C 3.46Å; A19-E48 VanDerWaalsContact O-C 3.31Å; A19-Q49 WeakPolarHBondContact CB-O 3.45Å; A19-S50 CarbonylContact C-O 3.59Å; A19-S50 WeakPolarHBondContact CB-O 3.45Å
20	Q	79.4	Confident	72.4	Confident	167 Å²	167	93.3 Å²	93.3	78%	0.78	52%	0.524	S	S	*	.			trans	-97.8	96.6	-178.8	-161.6	144.6	14	0	0	106.5	N18	N18-Q20 VanDerWaalsContact C-N 3.28Å; N18-Q20 PolarHBondContact O-N 3.07Å
21	C	91.9	Very high	74.6	Confident	12 Å²	12	95.7 Å²	95.7	8%	0.081	53%	0.529	C	S	.	.			trans	-39.2	132.7	175.2	-66.2	0	0	0	0	110.7	E23 C51 V79 I105 Y107	C21-E23 PolarHBondContact O-N 3.12Å; C21-C51 HydrophobicContact CB-CB 3.75Å; C21-C51 WeakPolarHBondContact CB-SG 3.49Å; C21-C51 WeakPolarHBondContact SG-CB 3.18Å; C21-C51 CovalentContact SG-SG 2.02Å; C21-C51 PolarHBondContact SG-SG 2.68Å; C21-V79 HydrophobicContact CB-CG2 4.12Å; C21-I105 HydrophobicContact CB-CD1 3.97Å; C21-I105 HydrophobicContact CB-CG1 4.4Å; C21-I105 HydrophobicContact CB-CG2 3.8Å; C21-Y107 HydrophobicContact CB-CE1 4.29Å
22	P	94.2	Very high	76.5	Confident	37 Å²	37	91.6 Å²	91.6	24%	0.24	51%	0.512	C	S	.	.			trans	-60.4	142.4	179.5	24.3	-33.4	0	0	0	110.6	A24 L27 F40 V79	P22-A24 PolarHBondContact O-N 2.98Å; P22-L27 HydrophobicContact CB-CD1 3.8Å; P22-L27 HydrophobicContact CG-CD1 3.48Å; P22-L27 VanDerWaalsContact CG-CD1 3.48Å; P22-F40 HydrophobicContact CG-CE2 4.36Å; P22-F40 HydrophobicContact CG-CZ 3.83Å; P22-V79 HydrophobicContact CG-CB 4.47Å; P22-V79 HydrophobicContact CG-CG2 4.12Å; P22-V79 WeakPolarHBondContact O-CG1 3.31Å
23	E	93.9	Very high	78.7	Confident	128 Å²	128	88.8 Å²	88.8	60%	0.598	50%	0.5	S	S	*	.			trans	-58.7	129.3	173.2	-82.2	-85.1	160.9	0	0	110.5	C21 N25 A26 L27	C21-E23 PolarHBondContact O-N 3.12Å; E23-N25 PolarHBondContact O-N 2.87Å; E23-A26 HydrophobicContact CB-CB 4.3Å; E23-A26 PolarHBondContact O-N 3.36Å; E23-L27 PolarHBondContact O-N 3.47Å
24	A	94.4	Very high	81.1	Confident	10 Å²	10	88.2 Å²	88.2	8%	0.083	48%	0.484	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.9	-15.3	179.3	0	0	0	0	0	114.2	P22 V79 V80 S81 R82	P22-A24 PolarHBondContact O-N 2.98Å; A24-V79 HydrophobicContact CB-CG1 4.15Å; A24-V80 VanDerWaalsContact CB-O 3.3Å; A24-V80 WeakPolarHBondContact CB-O 3.41Å; A24-S81 CarbonylContact O-C 3.59Å; A24-S81 VanDerWaalsContact O-CA 3.28Å; A24-S81 WeakPolarHBondContact O-CA 3.46Å; A24-R82 PolarHBondContact O-N 3Å
25	N	92.1	Very high	83.6	Confident	80 Å²	80	79.8 Å²	79.8	43%	0.428	45%	0.448	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.2	-26.4	175.7	-66.9	-56.5	0	0	0	114.3	E23 R82	E23-N25 PolarHBondContact O-N 2.87Å; N25-R82 PolarHBondContact ND2-NH1 3.34Å; N25-R82 VanDerWaalsContact ND2-NH1 3.13Å; N25-R82 PolarHBondContact ND2-NH2 3.48Å; N25-R82 VanDerWaalsContact ND2-NH2 3.18Å; N25-R82 WeakPolarHBondContact OD1-CD 3.08Å; N25-R82 WeakPolarHBondContact OD1-CG 2.81Å; N25-R82 PolarHBondContact OD1-NE 3Å; N25-R82 PolarHBondContact OD1-NH1 3.32Å
26	A	90.7	Very high	86.1	Confident	67 Å²	67	71.8 Å²	71.8	55%	0.554	41%	0.41	S	S	*	.	S	Bend	trans	-110.1	10.2	-170.5	0	0	0	0	0	111.7	E23 K28	E23-A26 HydrophobicContact CB-CB 4.3Å; E23-A26 PolarHBondContact O-N 3.36Å; A26-K28 PolarHBondContact O-N 3.05Å
27	L	95.6	Very high	88.5	Confident	4 Å²	4	66.7 Å²	66.7	2%	0.021	38%	0.379	C	S	.	.			trans	-70.1	106.4	-175.1	-165.4	74.8	0	0	0	111	P22 E23 L35 R38 V79 S81	P22-L27 HydrophobicContact CB-CD1 3.8Å; P22-L27 HydrophobicContact CG-CD1 3.48Å; P22-L27 VanDerWaalsContact CG-CD1 3.48Å; E23-L27 PolarHBondContact O-N 3.47Å; L27-L35 HydrophobicContact CD2-CB 3.97Å; L27-L35 HydrophobicContact CG-CB 3.97Å; L27-L35 HydrophobicContact CG-CD1 4.18Å; L27-L35 PolarHBondContact O-N 2.86Å; L27-R38 HydrophobicContact CD1-CB 3.9Å; L27-R38 HydrophobicContact CD2-CB 4.1Å; L27-R38 HydrophobicContact CG-CB 4.47Å; L27-V79 HydrophobicContact CD1-CG1 4.41Å; L27-V79 HydrophobicContact CD2-CG1 4.33Å; L27-S81 WeakPolarHBondContact CB-OG 3.16Å
28	K	96.7	Very high	90.8	Very high	117 Å²	117	59.9 Å²	59.9	51%	0.509	34%	0.341	S	S	.	.	B	Isolated β-bridge	trans	-138.3	156.4	-179.5	-65.2	176.9	174.9	-171.6	0	110	A26 G32 V33 R38	A26-K28 PolarHBondContact O-N 3.05Å; K28-G32 WeakPolarHBondContact CD-O 3.35Å; K28-V33 CarbonylContact C-O 3.57Å; K28-V33 WeakPolarHBondContact CA-O 3.28Å; K28-V33 WeakPolarHBondContact CB-O 3.46Å; K28-R38 PolarHBondContact O-NH2 3.32Å
29	D	95.6	Very high	93	Very high	21 Å²	21	55.5 Å²	55.5	11%	0.112	32%	0.318	C	S	.	.			trans	-77	-176	169.4	69.3	9.1	0	0	0	111.5	D31 G32 V33 L35 Y59	D29-D31 PolarHBondContact O-N 2.63Å; D29-D31 WeakPolarHBondContact OD1-CA 3.23Å; D29-D31 PolarHBondContact OD1-N 3.21Å; D29-G32 PolarHBondContact O-N 2.83Å; D29-G32 VanDerWaalsContact O-N 3.15Å; D29-G32 PolarHBondContact OD1-N 3.45Å; D29-V33 PolarHBondContact N-O 3Å; D29-V33 WeakPolarHBondContact OD1-CB 3.3Å; D29-V33 PolarHBondContact OD1-N 2.91Å; D29-V33 VanDerWaalsContact OD2-CB 3.31Å; D29-V33 WeakPolarHBondContact OD2-CB 3.46Å; D29-L35 HydrophobicContact CB-CD1 4.4Å; D29-L35 HydrophobicContact CB-CD2 4.14Å; D29-L35 HydrophobicContact CB-CG 4.34Å; D29-Y59 PolarHBondContact OD2-OH 2.94Å
30	A	93.2	Very high	94.8	Very high	105 Å²	105	54.9 Å²	54.9	87%	0.868	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.8	-27.4	179.7	0	0	0	0	0	113.3	G32	A30-G32 VanDerWaalsContact C-N 3.31Å
31	D	95.7	Very high	95.7	Very high	148 Å²	148	48.6 Å²	48.6	79%	0.791	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.4	-1.3	178.9	-62.2	-52.9	0	0	0	112.3	D29 V33	D29-D31 PolarHBondContact O-N 2.63Å; D29-D31 WeakPolarHBondContact OD1-CA 3.23Å; D29-D31 PolarHBondContact OD1-N 3.21Å; D31-V33 HydrophobicContact CB-CG2 4.31Å
32	G	95.2	Very high	95.8	Very high	40 Å²	40	51.9 Å²	51.9	41%	0.412	30%	0.298	S	S	.	.			trans	82.9	10.3	179.8	0	0	0	0	0	114.4	K28 D29 A30	K28-G32 WeakPolarHBondContact CD-O 3.35Å; D29-G32 PolarHBondContact O-N 2.83Å; D29-G32 VanDerWaalsContact O-N 3.15Å; D29-G32 PolarHBondContact OD1-N 3.45Å; A30-G32 VanDerWaalsContact C-N 3.31Å
33	V	96.4	Very high	95.9	Very high	73 Å²	73	51.7 Å²	51.7	44%	0.442	30%	0.297	S	S	.	.	P	Polyproline II helix	trans	-71.4	137.8	174.7	-173.4	0	0	0	0	109.3	K28 D29 D31 L35 Y59	K28-V33 CarbonylContact C-O 3.57Å; K28-V33 WeakPolarHBondContact CA-O 3.28Å; K28-V33 WeakPolarHBondContact CB-O 3.46Å; D29-V33 PolarHBondContact N-O 3Å; D29-V33 WeakPolarHBondContact OD1-CB 3.3Å; D29-V33 PolarHBondContact OD1-N 2.91Å; D29-V33 VanDerWaalsContact OD2-CB 3.31Å; D29-V33 WeakPolarHBondContact OD2-CB 3.46Å; D31-V33 HydrophobicContact CB-CG2 4.31Å; V33-L35 PolarHBondContact O-N 3.38Å; V33-Y59 HydrophobicContact CG1-CE1 4.42Å
34	K	95.6	Very high	96	Very high	100 Å²	100	49.2 Å²	49.2	44%	0.435	29%	0.286	S	S	.	.	B	Isolated β-bridge	trans	-64.5	125.7	178	178.7	-179.6	172.8	-177.4	0	110.2	P60	K34-P60 WeakPolarHBondContact O-CD 3.48Å
35	L	98.3	Very high	96	Very high	0 Å²	0	56.4 Å²	56.4	0%	0	31%	0.312	C	S	.	.	P	Polyproline II helix	trans	-89	150.8	170.4	-64.9	174.9	0	0	0	110.8	L27 D29 V33 D57 Y59 S81	L27-L35 HydrophobicContact CD2-CB 3.97Å; L27-L35 HydrophobicContact CG-CB 3.97Å; L27-L35 HydrophobicContact CG-CD1 4.18Å; L27-L35 PolarHBondContact O-N 2.86Å; D29-L35 HydrophobicContact CB-CD1 4.4Å; D29-L35 HydrophobicContact CB-CD2 4.14Å; D29-L35 HydrophobicContact CB-CG 4.34Å; V33-L35 PolarHBondContact O-N 3.38Å; L35-D57 HydrophobicContact CD1-CB 4.16Å; L35-D57 VanDerWaalsContact CD1-CG 3.44Å; L35-D57 WeakPolarHBondContact CD1-OD1 3.39Å; L35-D57 WeakPolarHBondContact CD1-OD2 3.05Å; L35-D57 HydrophobicContact CD2-CB 3.79Å; L35-Y59 HydrophobicContact CD2-CD1 4.06Å; L35-Y59 HydrophobicContact CD2-CE1 3.82Å; L35-Y59 HydrophobicContact CD2-CE2 4.47Å; L35-Y59 HydrophobicContact CD2-CG 4.49Å; L35-S81 VanDerWaalsContact O-CB 3.23Å; L35-S81 WeakPolarHBondContact O-CB 3.46Å; L35-S81 PolarHBondContact O-OG 2.03Å
36	C	98.5	Very high	96	Very high	0 Å²	0	58.5 Å²	58.5	0%	0	32%	0.315	C	S	.	.	S	Bend	trans	-84.7	-45	171.4	-179.7	0	0	0	0	110.8	A58 P60 S81 C129	C36-A58 WeakPolarHBondContact CA-O 3.27Å; C36-A58 WeakPolarHBondContact CB-O 3.22Å; C36-A58 PolarHBondContact N-O 2.87Å; C36-P60 HydrophobicContact CB-CG 4.19Å; C36-S81 WeakPolarHBondContact O-CB 3.47Å; C36-S81 PolarHBondContact O-N 2.97Å; C36-C129 HydrophobicContact CB-CB 3.7Å; C36-C129 WeakPolarHBondContact CB-SG 3.08Å; C36-C129 VanDerWaalsContact SG-C 3.54Å; C36-C129 WeakPolarHBondContact SG-CB 3.2Å; C36-C129 CovalentContact SG-SG 2.01Å; C36-C129 PolarHBondContact SG-SG 3Å
37	A	98.6	Very high	96.1	Very high	0 Å²	0	60 Å²	60	0%	0	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.8	157.8	171.7	0	0	0	0	0	111.1	A58 V79 V80 L86	A37-A58 HydrophobicContact CB-CB 4.37Å; A37-A58 PolarHBondContact N-O 3.31Å; A37-A58 VanDerWaalsContact N-O 3.16Å; A37-A58 PolarHBondContact O-N 3.37Å; A37-V79 CarbonylContact C-O 3.56Å; A37-V79 WeakPolarHBondContact CA-O 3.29Å; A37-V79 WeakPolarHBondContact CB-O 3.47Å; A37-V80 HydrophobicContact CB-CG2 4.2Å; A37-L86 HydrophobicContact CB-CB 4.23Å; A37-L86 HydrophobicContact CB-CD1 4.24Å; A37-L86 HydrophobicContact CB-CD2 3.97Å; A37-L86 HydrophobicContact CB-CG 4.38Å
38	R	98.6	Very high	95.8	Very high	32 Å²	32	65.1 Å²	65.1	12%	0.121	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	126.6	167.5	179.4	170.3	-76.5	169.9	-0.5	108.2	L27 K28 F40 Y55 D57 L78 V79	L27-R38 HydrophobicContact CD1-CB 3.9Å; L27-R38 HydrophobicContact CD2-CB 4.1Å; L27-R38 HydrophobicContact CG-CB 4.47Å; K28-R38 PolarHBondContact O-NH2 3.32Å; R38-F40 HydrophobicContact CB-CE2 4.02Å; R38-F40 HydrophobicContact CB-CZ 4.22Å; R38-F40 HydrophobicContact CG-CD2 4.23Å; R38-F40 HydrophobicContact CG-CE1 3.99Å; R38-F40 HydrophobicContact CG-CE2 3.56Å; R38-F40 HydrophobicContact CG-CZ 3.44Å; R38-F40 VanDerWaalsContact CG-CZ 3.44Å; R38-Y55 HydrophobicContact CG-CD2 4.05Å; R38-Y55 HydrophobicContact CG-CG 4.07Å; R38-Y55 VanDerWaalsContact NE-CD2 3.34Å; R38-D57 WeakPolarHBondContact CG-OD1 3.38Å; R38-D57 IonicContact CZ-OD1 3.39Å; R38-D57 IonicContact CZ-OD2 3.68Å; R38-D57 IonicContact NE-OD1 2.66Å; R38-D57 PolarHBondContact NE-OD1 2.86Å; R38-D57 IonicContact NE-OD2 3.7Å; R38-D57 IonicContact NH2-OD1 3.22Å; R38-D57 PolarHBondContact NH2-OD1 2.85Å; R38-D57 IonicContact NH2-OD2 2.65Å; R38-D57 PolarHBondContact NH2-OD2 2.88Å; R38-L78 CarbonylContact O-C 3.48Å; R38-L78 VanDerWaalsContact O-CA 3.31Å; R38-L78 WeakPolarHBondContact O-CA 3.09Å; R38-V79 PolarHBondContact N-O 3.06Å; R38-V79 PolarHBondContact O-N 2.74Å
39	M	98.5	Very high	95.6	Very high	0 Å²	0	63 Å²	63	0%	0	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	126.4	-177.3	-68.2	165.7	-70.7	0	0	108.6	Y55 L56 A58 I75 L78 L86 Y127	M39-Y55 CarbonylContact O-C 3.43Å; M39-Y55 WeakPolarHBondContact O-CA 2.99Å; M39-L56 HydrophobicContact CB-CB 4.46Å; M39-L56 HydrophobicContact CE-CB 4.28Å; M39-L56 HydrophobicContact CE-CD2 3.85Å; M39-L56 HydrophobicContact CE-CG 3.96Å; M39-L56 PolarHBondContact N-O 2.87Å; M39-L56 PolarHBondContact O-N 2.81Å; M39-A58 HydrophobicContact CE-CB 3.92Å; M39-I75 HydrophobicContact CB-CD1 3.74Å; M39-I75 HydrophobicContact CB-CG1 3.95Å; M39-I75 HydrophobicContact CB-CG2 3.74Å; M39-I75 HydrophobicContact CG-CD1 4.07Å; M39-I75 HydrophobicContact CG-CG2 4.22Å; M39-I75 HydrophobicContact SD-CD1 3.58Å; M39-I75 VanDerWaalsContact SD-CD1 3.58Å; M39-L78 HydrophobicContact CG-CB 4.1Å; M39-L86 HydrophobicContact CG-CD2 4.1Å; M39-L86 HydrophobicContact SD-CD2 3.91Å; M39-Y127 HydrophobicContact CE-CD1 4Å; M39-Y127 HydrophobicContact CE-CE1 3.85Å; M39-Y127 HydrophobicContact CE-CE2 4.4Å; M39-Y127 HydrophobicContact CE-CG 4.32Å; M39-Y127 HydrophobicContact SD-CD1 4.34Å
40	F	98.3	Very high	95.6	Very high	11 Å²	11	62 Å²	62	5%	0.048	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	149	-173	-61.9	-94.8	0	0	0	110.8	P22 R38 C51 Y55 I75 S76 S77 V79	P22-F40 HydrophobicContact CG-CE2 4.36Å; P22-F40 HydrophobicContact CG-CZ 3.83Å; R38-F40 HydrophobicContact CB-CE2 4.02Å; R38-F40 HydrophobicContact CB-CZ 4.22Å; R38-F40 HydrophobicContact CG-CD2 4.23Å; R38-F40 HydrophobicContact CG-CE1 3.99Å; R38-F40 HydrophobicContact CG-CE2 3.56Å; R38-F40 HydrophobicContact CG-CZ 3.44Å; R38-F40 VanDerWaalsContact CG-CZ 3.44Å; F40-C51 HydrophobicContact CB-CB 4.49Å; F40-C51 HydrophobicContact CD1-CB 3.91Å; F40-C51 WeakPolarHBondContact CD1-O 3.39Å; F40-C51 HydrophobicContact CD2-CB 3.68Å; F40-C51 HydrophobicContact CE1-CB 3.95Å; F40-C51 HydrophobicContact CE2-CB 3.74Å; F40-C51 HydrophobicContact CG-CB 3.77Å; F40-C51 HydrophobicContact CZ-CB 3.85Å; F40-Y55 HydrophobicContact CE1-CD1 4.42Å; F40-Y55 HydrophobicContact CE1-CG 4.43Å; F40-I75 WeakPolarHBondContact O-CA 2.96Å; F40-S76 PolarHBondContact O-N 2.89Å; F40-S77 WeakPolarHBondContact CB-OG 3.37Å; F40-S77 PolarHBondContact N-O 2.96Å; F40-S77 PolarHBondContact O-N 2.66Å; F40-V79 HydrophobicContact CE2-CG2 3.99Å
41	E	97.4	Very high	95.7	Very high	36 Å²	36	57.6 Å²	57.6	17%	0.168	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	-31.6	178.3	69.3	170.2	143.3	0	0	113.3	G53 E54 W71 R74 S76	E41-G53 WeakPolarHBondContact OE1-CA 3.37Å; E41-E54 HydrophobicContact CG-CB 4.45Å; E41-E54 PolarHBondContact N-O 3.08Å; E41-E54 PolarHBondContact OE1-N 2.77Å; E41-W71 HydrophobicContact CB-CH2 4.23Å; E41-W71 HydrophobicContact CB-CZ3 4.16Å; E41-R74 WeakPolarHBondContact CA-O 3.24Å; E41-R74 HydrophobicContact CB-CG 3.94Å; E41-R74 VanDerWaalsContact CD-NH2 3.28Å; E41-R74 IonicContact OE1-NH2 3.88Å; E41-R74 PolarHBondContact OE1-NH2 2.81Å; E41-R74 IonicContact OE2-CZ 2.93Å; E41-R74 IonicContact OE2-NE 2.81Å; E41-R74 PolarHBondContact OE2-NE 3.26Å; E41-R74 IonicContact OE2-NH2 2.67Å; E41-R74 PolarHBondContact OE2-NH2 3.44Å; E41-S76 WeakPolarHBondContact O-CB 3.36Å; E41-S76 PolarHBondContact O-OG 3.11Å
42	D	95.4	Very high	95.6	Very high	81 Å²	81	51.2 Å²	51.2	43%	0.433	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	137.3	-173.2	-65.5	-34.7	0	0	0	113.1	C51 G52 S76 S77	D42-C51 PolarHBondContact O-N 2.89Å; D42-G52 PolarHBondContact N-O 3.48Å; D42-G52 PolarHBondContact O-N 2.76Å; D42-S76 WeakPolarHBondContact CA-OG 3.49Å; D42-S76 PolarHBondContact N-OG 3.28Å; D42-S76 VanDerWaalsContact N-OG 3.17Å; D42-S77 PolarHBondContact O-OG 2.86Å
43	S	96	Very high	95.5	Very high	32 Å²	32	51.6 Å²	51.6	22%	0.224	25%	0.253	C	S	.	.			trans	-124.5	151.5	170	79.2	0	0	0	0	108.6	S76 Y107 E121	S43-S76 WeakPolarHBondContact CB-O 3.2Å; S43-S76 PolarHBondContact N-OG 2.84Å; S43-Y107 WeakPolarHBondContact CB-O 3.42Å; S43-E121 PolarHBondContact OG-OE1 2.79Å
44	H	95.2	Very high	95.5	Very high	76 Å²	76	52 Å²	52	35%	0.352	25%	0.25	S	S	.	.			trans	-121.7	163.9	-177.9	-163.5	-100.5	0	0	0	111.5	Y46 Q49 S50 R108	H44-Y46 VanDerWaalsContact C-N 3.34Å; H44-Y46 AromaticContact CE1-CD2 3.51Å; H44-Y46 AromaticContact ND1-CD2 3.69Å; H44-Y46 PolarHBondContact ND1-N 3.37Å; H44-Y46 VanDerWaalsContact ND1-N 3.15Å; H44-Q49 HydrophobicContact CB-CB 3.81Å; H44-Q49 VanDerWaalsContact CB-O 3.32Å; H44-Q49 WeakPolarHBondContact CB-O 3.36Å; H44-Q49 PolarHBondContact CE1-OE1 2.95Å; H44-Q49 PolarHBondContact ND1-OE1 2.01Å; H44-S50 PolarHBondContact N-OG 2.82Å; H44-R108 WeakPolarHBondContact O-CD 3.46Å; H44-R108 WeakPolarHBondContact O-CG 3.21Å; H44-R108 PolarHBondContact O-NE 3.16Å
45	Y	93.9	Very high	95.6	Very high	162 Å²	162	52.9 Å²	52.9	64%	0.635	25%	0.252	S	S	*	.	S	Bend	trans	-63.8	-42.7	174.2	179.1	-97.6	0	0	0	111.4
46	Y	93.4	Very high	95.6	Very high	124 Å²	124	54 Å²	54	49%	0.486	26%	0.258	S	S	.	.	S	Bend	trans	-83.3	122.8	170.4	-58.1	-62.8	0	0	0	109.6	H44 E48 Q49	H44-Y46 VanDerWaalsContact C-N 3.34Å; H44-Y46 AromaticContact CE1-CD2 3.51Å; H44-Y46 AromaticContact ND1-CD2 3.69Å; H44-Y46 PolarHBondContact ND1-N 3.37Å; H44-Y46 VanDerWaalsContact ND1-N 3.15Å; Y46-E48 VanDerWaalsContact C-N 3.27Å; Y46-E48 PolarHBondContact O-N 3.09Å; Y46-Q49 PolarHBondContact O-N 3.3Å
47	Y	92.4	Very high	95.6	Very high	97 Å²	97	55.2 Å²	55.2	38%	0.38	26%	0.264	S	S	.	.	G	3₁₀ helix	trans	-61.9	-36.4	-173.3	-68.3	-10.6	0	0	0	112.8	Q49 S50 Y107 R108 E111	Y47-Q49 PolarHBondContact O-N 2.88Å; Y47-Q49 VanDerWaalsContact O-N 3.09Å; Y47-S50 WeakPolarHBondContact O-CB 3.45Å; Y47-S50 PolarHBondContact O-N 3Å; Y47-S50 VanDerWaalsContact O-N 3.08Å; Y47-Y107 HydrophobicContact CD1-CG 4.43Å; Y47-Y107 HydrophobicContact CD2-CD2 4.03Å; Y47-Y107 HydrophobicContact CD2-CG 4.43Å; Y47-Y107 HydrophobicContact CG-CD2 4.02Å; Y47-Y107 AromaticContact CG-CG 3.95Å; Y47-Y107 HydrophobicContact CG-CG 3.95Å; Y47-Y107 WeakPolarHBondContact O-CD1 3.49Å; Y47-R108 HydrophobicContact CD1-CG 4.25Å; Y47-R108 VanDerWaalsContact CE1-CD 3.46Å; Y47-R108 HydrophobicContact CE1-CG 4.18Å; Y47-E111 VanDerWaalsContact CE1-OE1 3.31Å; Y47-E111 WeakPolarHBondContact CE1-OE1 3.32Å; Y47-E111 PolarHBondContact OH-OE1 3.45Å; Y47-E111 PolarHBondContact OH-OE2 3.24Å
48	E	88.6	Confident	95.6	Very high	113 Å²	113	55.2 Å²	55.2	53%	0.528	26%	0.264	S	S	.	.	G	3₁₀ helix	trans	-67.9	-1	176	65	-85.2	-165.9	0	0	114.4	A19 Y46	A19-E48 CarbonylContact C-O 3.54Å; A19-E48 CarbonylContact O-C 3.46Å; A19-E48 VanDerWaalsContact O-C 3.31Å; Y46-E48 VanDerWaalsContact C-N 3.27Å; Y46-E48 PolarHBondContact O-N 3.09Å
49	Q	92.3	Very high	95.6	Very high	72 Å²	72	58.2 Å²	58.2	34%	0.336	28%	0.276	S	S	.	.	G	3₁₀ helix	trans	-119.7	9.2	174.7	-62.9	171.5	15	0	0	112	A19 H44 Y46 Y47	A19-Q49 WeakPolarHBondContact CB-O 3.45Å; H44-Q49 HydrophobicContact CB-CB 3.81Å; H44-Q49 VanDerWaalsContact CB-O 3.32Å; H44-Q49 WeakPolarHBondContact CB-O 3.36Å; H44-Q49 PolarHBondContact CE1-OE1 2.95Å; H44-Q49 PolarHBondContact ND1-OE1 2.01Å; Y46-Q49 PolarHBondContact O-N 3.3Å; Y47-Q49 PolarHBondContact O-N 2.88Å; Y47-Q49 VanDerWaalsContact O-N 3.09Å
50	S	95.6	Very high	95.6	Very high	0 Å²	0	61 Å²	61	0%	0	29%	0.294	C	S	.	.			trans	-82.3	179	172.7	-77.7	0	0	0	0	112.2	A19 H44 Y47 G52 Y107	A19-S50 CarbonylContact C-O 3.59Å; A19-S50 WeakPolarHBondContact CB-O 3.45Å; H44-S50 PolarHBondContact N-OG 2.82Å; Y47-S50 WeakPolarHBondContact O-CB 3.45Å; Y47-S50 PolarHBondContact O-N 3Å; Y47-S50 VanDerWaalsContact O-N 3.08Å; S50-G52 VanDerWaalsContact C-N 3.3Å; S50-Y107 WeakPolarHBondContact CB-O 3.47Å; S50-Y107 PolarHBondContact OG-O 3.28Å
51	C	95.8	Very high	95.5	Very high	12 Å²	12	62.8 Å²	62.8	8%	0.081	32%	0.316	C	S	.	.	S	Bend	trans	61.8	40.4	-174	-52.4	0	0	0	0	112.2	C21 F40 D42 S77	C21-C51 HydrophobicContact CB-CB 3.75Å; C21-C51 WeakPolarHBondContact CB-SG 3.49Å; C21-C51 WeakPolarHBondContact SG-CB 3.18Å; C21-C51 CovalentContact SG-SG 2.02Å; C21-C51 PolarHBondContact SG-SG 2.68Å; F40-C51 HydrophobicContact CB-CB 4.49Å; F40-C51 HydrophobicContact CD1-CB 3.91Å; F40-C51 WeakPolarHBondContact CD1-O 3.39Å; F40-C51 HydrophobicContact CD2-CB 3.68Å; F40-C51 HydrophobicContact CE1-CB 3.95Å; F40-C51 HydrophobicContact CE2-CB 3.74Å; F40-C51 HydrophobicContact CG-CB 3.77Å; F40-C51 HydrophobicContact CZ-CB 3.85Å; D42-C51 PolarHBondContact O-N 2.89Å; C51-S77 WeakPolarHBondContact CA-OG 3.3Å; C51-S77 PolarHBondContact N-OG 2.98Å; C51-S77 VanDerWaalsContact N-OG 3.17Å
52	G	92.7	Very high	95.6	Very high	15 Å²	15	63.9 Å²	63.9	16%	0.155	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	178.6	176	0	0	0	0	0	112.8	D42 S50	D42-G52 PolarHBondContact N-O 3.48Å; D42-G52 PolarHBondContact O-N 2.76Å; S50-G52 VanDerWaalsContact C-N 3.3Å
53	G	94.7	Very high	95.7	Very high	48 Å²	48	63.9 Å²	63.9	50%	0.495	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	68.6	-158.8	177.2	0	0	0	0	0	113.6	E41	E41-G53 WeakPolarHBondContact OE1-CA 3.37Å
54	E	96.6	Very high	95.8	Very high	81 Å²	81	63.2 Å²	63.2	38%	0.379	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.1	162.3	169.6	-66.9	-175.5	158.4	0	0	112	E41 R70 W71 R74	E41-E54 HydrophobicContact CG-CB 4.45Å; E41-E54 PolarHBondContact N-O 3.08Å; E41-E54 PolarHBondContact OE1-N 2.77Å; E54-R70 IonicContact OE1-CZ 2.8Å; E54-R70 IonicContact OE1-NE 3.39Å; E54-R70 IonicContact OE1-NH2 3.85Å; E54-R70 PolarHBondContact OE1-NH2 3.01Å; E54-R70 IonicContact OE2-CZ 2.75Å; E54-R70 IonicContact OE2-NE 3.36Å; E54-R70 PolarHBondContact OE2-NE 3.09Å; E54-R70 IonicContact OE2-NH2 2.95Å; E54-R70 PolarHBondContact OE2-NH2 2.02Å; E54-W71 HydrophobicContact CB-CH2 4.16Å; E54-W71 HydrophobicContact CB-CZ2 4.01Å; E54-W71 WeakPolarHBondContact O-CH2 3.13Å; E54-R74 IonicContact OE2-CZ 2.77Å; E54-R74 IonicContact OE2-NH1 3.03Å; E54-R74 PolarHBondContact OE2-NH1 3.23Å; E54-R74 IonicContact OE2-NH2 3.73Å; E54-R74 PolarHBondContact OE2-NH2 3.17Å
55	Y	97.6	Very high	96	Very high	118 Å²	118	62.3 Å²	62.3	46%	0.463	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	153.8	176.6	58.8	-96.6	0	0	0	112.5	R38 M39 F40 D57 W71	R38-Y55 HydrophobicContact CG-CD2 4.05Å; R38-Y55 HydrophobicContact CG-CG 4.07Å; R38-Y55 VanDerWaalsContact NE-CD2 3.34Å; M39-Y55 CarbonylContact O-C 3.43Å; M39-Y55 WeakPolarHBondContact O-CA 2.99Å; F40-Y55 HydrophobicContact CE1-CD1 4.42Å; F40-Y55 HydrophobicContact CE1-CG 4.43Å; Y55-D57 WeakPolarHBondContact CD2-OD1 3.25Å; Y55-W71 VanDerWaalsContact O-CZ2 3.27Å; Y55-W71 WeakPolarHBondContact O-CZ2 3.35Å
56	L	98.2	Very high	96.2	Very high	24 Å²	24	59 Å²	59	13%	0.126	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	121.4	170.8	-178.7	64.8	0	0	0	109	M39 I67 W71 Y127	M39-L56 HydrophobicContact CB-CB 4.46Å; M39-L56 HydrophobicContact CE-CB 4.28Å; M39-L56 HydrophobicContact CE-CD2 3.85Å; M39-L56 HydrophobicContact CE-CG 3.96Å; M39-L56 PolarHBondContact N-O 2.87Å; M39-L56 PolarHBondContact O-N 2.81Å; L56-I67 HydrophobicContact CD2-CD1 3.6Å; L56-I67 HydrophobicContact CD2-CG1 3.77Å; L56-W71 HydrophobicContact CB-CD2 3.7Å; L56-W71 HydrophobicContact CB-CE3 3.99Å; L56-W71 HydrophobicContact CB-CG 4.23Å; L56-W71 HydrophobicContact CB-CH2 4.18Å; L56-W71 HydrophobicContact CB-CZ2 3.9Å; L56-W71 HydrophobicContact CB-CZ3 4.21Å; L56-W71 HydrophobicContact CD2-CB 4.15Å; L56-W71 HydrophobicContact CD2-CD2 4.19Å; L56-W71 HydrophobicContact CD2-CG 3.93Å; L56-W71 HydrophobicContact CG-CD2 4.44Å; L56-W71 HydrophobicContact CG-CG 4.47Å; L56-Y127 HydrophobicContact CD2-CE1 3.91Å
57	D	98.2	Very high	96.4	Very high	26 Å²	26	53.4 Å²	53.4	14%	0.139	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	137.2	175.9	-75.1	-16.6	0	0	0	110.7	L35 R38 Y55 Y59	L35-D57 HydrophobicContact CD1-CB 4.16Å; L35-D57 VanDerWaalsContact CD1-CG 3.44Å; L35-D57 WeakPolarHBondContact CD1-OD1 3.39Å; L35-D57 WeakPolarHBondContact CD1-OD2 3.05Å; L35-D57 HydrophobicContact CD2-CB 3.79Å; R38-D57 WeakPolarHBondContact CG-OD1 3.38Å; R38-D57 IonicContact CZ-OD1 3.39Å; R38-D57 IonicContact CZ-OD2 3.68Å; R38-D57 IonicContact NE-OD1 2.66Å; R38-D57 PolarHBondContact NE-OD1 2.86Å; R38-D57 IonicContact NE-OD2 3.7Å; R38-D57 IonicContact NH2-OD1 3.22Å; R38-D57 PolarHBondContact NH2-OD1 2.85Å; R38-D57 IonicContact NH2-OD2 2.65Å; R38-D57 PolarHBondContact NH2-OD2 2.88Å; Y55-D57 WeakPolarHBondContact CD2-OD1 3.25Å; D57-Y59 HydrophobicContact CB-CE2 4.5Å
58	A	98.3	Very high	96.6	Very high	0 Å²	0	52 Å²	52	0%	0	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	125.2	171.1	0	0	0	0	0	109.5	C36 A37 M39 E62 Y127 C129	C36-A58 WeakPolarHBondContact CA-O 3.27Å; C36-A58 WeakPolarHBondContact CB-O 3.22Å; C36-A58 PolarHBondContact N-O 2.87Å; A37-A58 HydrophobicContact CB-CB 4.37Å; A37-A58 PolarHBondContact N-O 3.31Å; A37-A58 VanDerWaalsContact N-O 3.16Å; A37-A58 PolarHBondContact O-N 3.37Å; M39-A58 HydrophobicContact CE-CB 3.92Å; A58-E62 VanDerWaalsContact CA-OE2 3.3Å; A58-E62 WeakPolarHBondContact CA-OE2 3.42Å; A58-Y127 HydrophobicContact CB-CD2 4.15Å; A58-Y127 HydrophobicContact CB-CE2 3.57Å; A58-C129 HydrophobicContact CB-CB 4.17Å
59	Y	98.2	Very high	97	Very high	94 Å²	94	58 Å²	58	37%	0.369	31%	0.308	S	S	.	.			trans	-86.2	156.8	-179.9	-68.3	-92.9	0	0	0	111.7	D29 V33 L35 D57 G61 E62	D29-Y59 PolarHBondContact OD2-OH 2.94Å; V33-Y59 HydrophobicContact CG1-CE1 4.42Å; L35-Y59 HydrophobicContact CD2-CD1 4.06Å; L35-Y59 HydrophobicContact CD2-CE1 3.82Å; L35-Y59 HydrophobicContact CD2-CE2 4.47Å; L35-Y59 HydrophobicContact CD2-CG 4.49Å; D57-Y59 HydrophobicContact CB-CE2 4.5Å; Y59-G61 PolarHBondContact O-N 3.32Å; Y59-E62 PolarHBondContact N-OE2 3.01Å; Y59-E62 WeakPolarHBondContact O-CB 3.02Å; Y59-E62 PolarHBondContact O-N 2.67Å; Y59-E62 VanDerWaalsContact O-N 3.09Å
60	P	98.1	Very high	97.2	Very high	59 Å²	59	61.6 Å²	61.6	38%	0.383	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57	127.7	174.1	-24.8	35.1	0	0	0	112.1	K34 C36 E62 C131	K34-P60 WeakPolarHBondContact O-CD 3.48Å; C36-P60 HydrophobicContact CB-CG 4.19Å; P60-E62 PolarHBondContact O-N 2.78Å; P60-C131 HydrophobicContact CB-CB 4.44Å
61	G	97.9	Very high	97.4	Very high	48 Å²	48	62.5 Å²	62.5	50%	0.495	32%	0.322	S	S	.	.	T	Hydrogen-bonded Turn	trans	80.6	0.4	-178.9	0	0	0	0	0	114.3	Y59 D63 C129	Y59-G61 PolarHBondContact O-N 3.32Å; G61-D63 PolarHBondContact O-N 2.91Å; G61-C129 CarbonylContact C-O 3.47Å; G61-C129 VanDerWaalsContact CA-O 3.24Å; G61-C129 WeakPolarHBondContact CA-O 3.16Å; G61-C129 PolarHBondContact N-O 2.83Å
62	E	98.1	Very high	97.5	Very high	59 Å²	59	64.3 Å²	64.3	28%	0.276	33%	0.33	S	S	.	.			trans	-69.7	126.2	-178.1	-162	-178.2	178.4	0	0	111.2	A58 Y59 P60 V64 Y127 Y128 C129	A58-E62 VanDerWaalsContact CA-OE2 3.3Å; A58-E62 WeakPolarHBondContact CA-OE2 3.42Å; Y59-E62 PolarHBondContact N-OE2 3.01Å; Y59-E62 WeakPolarHBondContact O-CB 3.02Å; Y59-E62 PolarHBondContact O-N 2.67Å; Y59-E62 VanDerWaalsContact O-N 3.09Å; P60-E62 PolarHBondContact O-N 2.78Å; E62-V64 HydrophobicContact CG-CG2 3.76Å; E62-Y127 HydrophobicContact CG-CE2 4.41Å; E62-Y127 PolarHBondContact OE1-OH 2.65Å; E62-Y127 PolarHBondContact OE2-OH 2.79Å; E62-Y128 WeakPolarHBondContact O-CA 3.35Å; E62-Y128 WeakPolarHBondContact O-CD2 3.48Å; E62-C129 PolarHBondContact O-N 2.69Å
63	D	98.2	Very high	97.7	Very high	82 Å²	82	66.8 Å²	66.8	44%	0.439	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	104.3	179.6	-172.5	-3.6	0	0	0	110.6	G61 P65 K94 Y128	G61-D63 PolarHBondContact O-N 2.91Å; D63-P65 WeakPolarHBondContact O-CD 3.44Å; D63-K94 WeakPolarHBondContact OD1-CE 3.38Å; D63-K94 IonicContact OD1-NZ 3.26Å; D63-K94 PolarHBondContact OD1-NZ 3.4Å; D63-K94 IonicContact OD2-NZ 2.81Å; D63-K94 PolarHBondContact OD2-NZ 3.44Å; D63-Y128 HydrophobicContact CB-CD2 3.8Å; D63-Y128 HydrophobicContact CB-CE2 4.3Å
64	V	98.5	Very high	97.9	Very high	18 Å²	18	67 Å²	67	11%	0.109	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	86.2	-175.8	-175.2	0	0	0	0	109.3	E62 I66 G126 Y127	E62-V64 HydrophobicContact CG-CG2 3.76Å; V64-I66 VanDerWaalsContact CG1-O 3.22Å; V64-I66 WeakPolarHBondContact CG1-O 3Å; V64-I66 PolarHBondContact O-N 2.77Å; V64-G126 CarbonylContact O-C 3.6Å; V64-G126 VanDerWaalsContact O-CA 3.29Å; V64-G126 WeakPolarHBondContact O-CA 3.45Å; V64-Y127 CarbonylContact C-O 3.58Å; V64-Y127 HydrophobicContact CB-CD1 4Å; V64-Y127 HydrophobicContact CB-CD2 4.26Å; V64-Y127 HydrophobicContact CB-CE1 3.66Å; V64-Y127 HydrophobicContact CB-CE2 3.94Å; V64-Y127 HydrophobicContact CB-CG 4.3Å; V64-Y127 HydrophobicContact CG1-CD1 4.36Å; V64-Y127 HydrophobicContact CG1-CE1 3.89Å; V64-Y127 HydrophobicContact CG2-CD2 4.37Å; V64-Y127 HydrophobicContact CG2-CE1 3.88Å; V64-Y127 HydrophobicContact CG2-CE2 3.6Å; V64-Y127 WeakPolarHBondContact CG2-OH 3.11Å; V64-Y127 PolarHBondContact N-O 2.75Å; V64-Y127 PolarHBondContact O-N 2.99Å
65	P	98	Very high	98	Very high	56 Å²	56	63.1 Å²	63.1	36%	0.364	31%	0.308	S	S	.	.	S	Bend	trans	-67	-22.3	177.9	26	-33.9	0	0	0	112.6	D63 T92 K93 K94	D63-P65 WeakPolarHBondContact O-CD 3.44Å; P65-T92 CarbonylContact O-C 3.42Å; P65-K93 WeakPolarHBondContact O-CA 3.36Å; P65-K93 PolarHBondContact O-N 2.95Å; P65-K94 HydrophobicContact CB-CG 4.19Å
66	I	98.1	Very high	98	Very high	94 Å²	94	57.5 Å²	57.5	48%	0.482	29%	0.286	S	S	.	.	S	Bend	trans	-133.8	107.2	177.2	-51.8	-178.7	0	0	0	107.3	V64 T92 K93	V64-I66 VanDerWaalsContact CG1-O 3.22Å; V64-I66 WeakPolarHBondContact CG1-O 3Å; V64-I66 PolarHBondContact O-N 2.77Å; I66-T92 HydrophobicContact CG2-CG2 4.12Å; I66-K93 HydrophobicContact CD1-CG 4.12Å; I66-K93 HydrophobicContact CG1-CG 4.18Å
67	I	97.8	Very high	98	Very high	6 Å²	6	56.4 Å²	56.4	3%	0.031	28%	0.28	C	S	.	.			trans	-65.6	150.4	177.6	-161.2	168.4	0	0	0	110.7	L56 W69 W71 N72 I75 S125 Y127	L56-I67 HydrophobicContact CD2-CD1 3.6Å; L56-I67 HydrophobicContact CD2-CG1 3.77Å; I67-W69 PolarHBondContact O-N 3.32Å; I67-W71 HydrophobicContact CD1-CB 3.71Å; I67-W71 HydrophobicContact CG1-CB 3.76Å; I67-N72 HydrophobicContact CG2-CB 3.86Å; I67-I75 HydrophobicContact CD1-CD1 3.77Å; I67-S125 WeakPolarHBondContact CG2-O 3.31Å; I67-S125 PolarHBondContact N-O 3.03Å; I67-S125 VanDerWaalsContact N-O 3.11Å; I67-Y127 HydrophobicContact CD1-CD1 4.21Å; I67-Y127 HydrophobicContact CD1-CE1 4.29Å; I67-Y127 HydrophobicContact CG1-CD1 4.42Å; I67-Y127 HydrophobicContact CG1-CE1 4.2Å
68	P	97.3	Very high	98	Very high	68 Å²	68	55.1 Å²	55.1	44%	0.442	27%	0.274	S	S	.	.			trans	-51.3	139.9	173	-29.3	35.8	0	0	0	111.7	R70 W71 N72	P68-R70 PolarHBondContact O-N 2.75Å; P68-R70 VanDerWaalsContact O-N 3.08Å; P68-W71 WeakPolarHBondContact O-CA 3.36Å; P68-W71 WeakPolarHBondContact O-CB 3.22Å; P68-W71 PolarHBondContact O-N 3.39Å; P68-N72 PolarHBondContact O-N 2.8Å
69	W	96.8	Very high	98.1	Very high	238 Å²	238	55.1 Å²	55.1	90%	0.902	27%	0.274	S	S	*	.	G	3₁₀ helix	trans	-53	-38	-172.5	179.1	-88.2	0	0	0	113.7	I67 W71 N72	I67-W69 PolarHBondContact O-N 3.32Å; W69-W71 PolarHBondContact O-N 2.99Å; W69-N72 PolarHBondContact O-N 3.06Å
70	R	97.4	Very high	98.1	Very high	147 Å²	147	50.7 Å²	50.7	56%	0.555	26%	0.256	S	S	*	.	G	3₁₀ helix	trans	-60.4	-23.8	177.1	-178.2	177.5	177	79.8	-6.2	113.6	E54 P68 R74	E54-R70 IonicContact OE1-CZ 2.8Å; E54-R70 IonicContact OE1-NE 3.39Å; E54-R70 IonicContact OE1-NH2 3.85Å; E54-R70 PolarHBondContact OE1-NH2 3.01Å; E54-R70 IonicContact OE2-CZ 2.75Å; E54-R70 IonicContact OE2-NE 3.36Å; E54-R70 PolarHBondContact OE2-NE 3.09Å; E54-R70 IonicContact OE2-NH2 2.95Å; E54-R70 PolarHBondContact OE2-NH2 2.02Å; P68-R70 PolarHBondContact O-N 2.75Å; P68-R70 VanDerWaalsContact O-N 3.08Å; R70-R74 WeakPolarHBondContact O-CD 3.37Å
71	W	98.1	Very high	98.1	Very high	20 Å²	20	48 Å²	48	8%	0.076	24%	0.239	C	C	.	.	G	3₁₀ helix	trans	-104.8	-12.4	-174.5	-81.1	104.1	0	0	0	114	E41 E54 Y55 L56 I67 P68 W69 N73 R74 I75	E41-W71 HydrophobicContact CB-CH2 4.23Å; E41-W71 HydrophobicContact CB-CZ3 4.16Å; E54-W71 HydrophobicContact CB-CH2 4.16Å; E54-W71 HydrophobicContact CB-CZ2 4.01Å; E54-W71 WeakPolarHBondContact O-CH2 3.13Å; Y55-W71 VanDerWaalsContact O-CZ2 3.27Å; Y55-W71 WeakPolarHBondContact O-CZ2 3.35Å; L56-W71 HydrophobicContact CB-CD2 3.7Å; L56-W71 HydrophobicContact CB-CE3 3.99Å; L56-W71 HydrophobicContact CB-CG 4.23Å; L56-W71 HydrophobicContact CB-CH2 4.18Å; L56-W71 HydrophobicContact CB-CZ2 3.9Å; L56-W71 HydrophobicContact CB-CZ3 4.21Å; L56-W71 HydrophobicContact CD2-CB 4.15Å; L56-W71 HydrophobicContact CD2-CD2 4.19Å; L56-W71 HydrophobicContact CD2-CG 3.93Å; L56-W71 HydrophobicContact CG-CD2 4.44Å; L56-W71 HydrophobicContact CG-CG 4.47Å; I67-W71 HydrophobicContact CD1-CB 3.71Å; I67-W71 HydrophobicContact CG1-CB 3.76Å; P68-W71 WeakPolarHBondContact O-CA 3.36Å; P68-W71 WeakPolarHBondContact O-CB 3.22Å; P68-W71 PolarHBondContact O-N 3.39Å; W69-W71 PolarHBondContact O-N 2.99Å; W71-N73 PolarHBondContact O-N 3.25Å; W71-R74 HydrophobicContact CE3-CB 4.45Å; W71-R74 PolarHBondContact O-N 3.17Å; W71-I75 HydrophobicContact CE3-CG1 3.79Å; W71-I75 HydrophobicContact CZ3-CG1 4.06Å
72	N	98.3	Very high	98.1	Very high	49 Å²	49	53.4 Å²	53.4	26%	0.262	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.7	123.4	177.6	-175.8	71.2	0	0	0	109.6	I67 P68 W69 R74 S125	I67-N72 HydrophobicContact CG2-CB 3.86Å; P68-N72 PolarHBondContact O-N 2.8Å; W69-N72 PolarHBondContact O-N 3.06Å; N72-R74 VanDerWaalsContact C-N 3.3Å; N72-R74 PolarHBondContact O-N 2.57Å; N72-S125 WeakPolarHBondContact OD1-CA 3.21Å; N72-S125 WeakPolarHBondContact OD1-CB 3.13Å; N72-S125 PolarHBondContact OD1-OG 3.03Å
73	N	98.1	Very high	98	Very high	68 Å²	68	53.9 Å²	53.9	36%	0.364	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	59.3	37.1	178.8	-62.9	-8.5	0	0	0	113.8	W71 N122 I124 S125	W71-N73 PolarHBondContact O-N 3.25Å; N73-N122 CarbonylContact C-O 3.47Å; N73-N122 VanDerWaalsContact CA-C 3.5Å; N73-N122 WeakPolarHBondContact CA-O 3.4Å; N73-N122 WeakPolarHBondContact CB-O 3.17Å; N73-N122 VanDerWaalsContact O-CB 3.25Å; N73-N122 WeakPolarHBondContact O-CB 3.36Å; N73-I124 PolarHBondContact N-O 2.94Å; N73-S125 PolarHBondContact OD1-OG 2.93Å
74	R	98.4	Very high	98	Very high	51 Å²	51	50.3 Å²	50.3	19%	0.192	25%	0.246	C	C	.	.	T	Hydrogen-bonded Turn	trans	-122.6	-14.8	-179.6	-168	176.4	177.9	-153.7	9.2	114.5	E41 E54 R70 W71 N72 N122	E41-R74 WeakPolarHBondContact CA-O 3.24Å; E41-R74 HydrophobicContact CB-CG 3.94Å; E41-R74 VanDerWaalsContact CD-NH2 3.28Å; E41-R74 IonicContact OE1-NH2 3.88Å; E41-R74 PolarHBondContact OE1-NH2 2.81Å; E41-R74 IonicContact OE2-CZ 2.93Å; E41-R74 IonicContact OE2-NE 2.81Å; E41-R74 PolarHBondContact OE2-NE 3.26Å; E41-R74 IonicContact OE2-NH2 2.67Å; E41-R74 PolarHBondContact OE2-NH2 3.44Å; E54-R74 IonicContact OE2-CZ 2.77Å; E54-R74 IonicContact OE2-NH1 3.03Å; E54-R74 PolarHBondContact OE2-NH1 3.23Å; E54-R74 IonicContact OE2-NH2 3.73Å; E54-R74 PolarHBondContact OE2-NH2 3.17Å; R70-R74 WeakPolarHBondContact O-CD 3.37Å; W71-R74 HydrophobicContact CE3-CB 4.45Å; W71-R74 PolarHBondContact O-N 3.17Å; N72-R74 VanDerWaalsContact C-N 3.3Å; N72-R74 PolarHBondContact O-N 2.57Å; R74-N122 WeakPolarHBondContact CA-OD1 2.99Å; R74-N122 PolarHBondContact O-OD1 3.37Å; R74-N122 VanDerWaalsContact O-OD1 3.05Å
75	I	98.5	Very high	98	Very high	0 Å²	0	50.1 Å²	50.1	0%	0	25%	0.246	C	C	.	.			trans	-79.4	129.8	-174.3	-59.9	163.1	0	0	0	109.3	M39 F40 I67 W71 L109 N122 I124	M39-I75 HydrophobicContact CB-CD1 3.74Å; M39-I75 HydrophobicContact CB-CG1 3.95Å; M39-I75 HydrophobicContact CB-CG2 3.74Å; M39-I75 HydrophobicContact CG-CD1 4.07Å; M39-I75 HydrophobicContact CG-CG2 4.22Å; M39-I75 HydrophobicContact SD-CD1 3.58Å; M39-I75 VanDerWaalsContact SD-CD1 3.58Å; F40-I75 WeakPolarHBondContact O-CA 2.96Å; I67-I75 HydrophobicContact CD1-CD1 3.77Å; W71-I75 HydrophobicContact CE3-CG1 3.79Å; W71-I75 HydrophobicContact CZ3-CG1 4.06Å; I75-L109 HydrophobicContact CB-CD1 4.5Å; I75-L109 HydrophobicContact CG2-CD1 3.76Å; I75-N122 PolarHBondContact O-N 2.95Å; I75-I124 HydrophobicContact CB-CD1 4.04Å; I75-I124 HydrophobicContact CD1-CB 4.11Å; I75-I124 HydrophobicContact CD1-CD1 4.23Å; I75-I124 HydrophobicContact CD1-CG2 3.98Å; I75-I124 HydrophobicContact CG2-CD1 3.96Å
76	S	98.3	Very high	98	Very high	1 Å²	1	47.5 Å²	47.5	1%	0.007	23%	0.229	C	C	.	.			trans	-126	-18.6	-178.6	61.8	0	0	0	0	114	F40 E41 D42 S43 L109 E121	F40-S76 PolarHBondContact O-N 2.89Å; E41-S76 WeakPolarHBondContact O-CB 3.36Å; E41-S76 PolarHBondContact O-OG 3.11Å; D42-S76 WeakPolarHBondContact CA-OG 3.49Å; D42-S76 PolarHBondContact N-OG 3.28Å; D42-S76 VanDerWaalsContact N-OG 3.17Å; S43-S76 WeakPolarHBondContact CB-O 3.2Å; S43-S76 PolarHBondContact N-OG 2.84Å; S76-L109 WeakPolarHBondContact O-CB 2.77Å; S76-L109 WeakPolarHBondContact O-CG 3.44Å; S76-L109 PolarHBondContact O-N 2.99Å; S76-E121 WeakPolarHBondContact CA-OE2 3.17Å; S76-E121 WeakPolarHBondContact CB-OE1 3.22Å; S76-E121 WeakPolarHBondContact CB-OE2 3.44Å
77	S	98.3	Very high	98.1	Very high	0 Å²	0	44 Å²	44	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	157.3	173.1	63.8	0	0	0	0	110.7	F40 D42 C51 K106 Y107	F40-S77 WeakPolarHBondContact CB-OG 3.37Å; F40-S77 PolarHBondContact N-O 2.96Å; F40-S77 PolarHBondContact O-N 2.66Å; D42-S77 PolarHBondContact O-OG 2.86Å; C51-S77 WeakPolarHBondContact CA-OG 3.3Å; C51-S77 PolarHBondContact N-OG 2.98Å; C51-S77 VanDerWaalsContact N-OG 3.17Å; S77-K106 WeakPolarHBondContact CA-O 3.43Å; S77-K106 WeakPolarHBondContact CB-O 3.31Å; S77-Y107 WeakPolarHBondContact CB-O 3.46Å
78	L	98.3	Very high	98.1	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.7	156.1	-178.7	59.9	83.4	0	0	0	113	R38 M39 V80 L86 F101 K106 L109	R38-L78 CarbonylContact O-C 3.48Å; R38-L78 VanDerWaalsContact O-CA 3.31Å; R38-L78 WeakPolarHBondContact O-CA 3.09Å; M39-L78 HydrophobicContact CG-CB 4.1Å; L78-V80 HydrophobicContact CD1-CG2 3.75Å; L78-L86 HydrophobicContact CD2-CD2 3.96Å; L78-F101 HydrophobicContact CD1-CB 4.1Å; L78-F101 HydrophobicContact CD1-CD1 4.38Å; L78-F101 HydrophobicContact CD1-CD2 4.44Å; L78-F101 HydrophobicContact CD1-CG 4.07Å; L78-F101 HydrophobicContact CD2-CD2 3.81Å; L78-F101 HydrophobicContact CD2-CE2 3.83Å; L78-F101 HydrophobicContact CD2-CG 4.21Å; L78-F101 HydrophobicContact CD2-CZ 4.27Å; L78-K106 HydrophobicContact CD1-CB 3.79Å; L78-K106 HydrophobicContact CD1-CG 3.76Å; L78-K106 HydrophobicContact CG-CB 3.97Å; L78-K106 HydrophobicContact CG-CG 4.41Å; L78-K106 PolarHBondContact N-O 3.08Å; L78-K106 PolarHBondContact O-N 3.15Å; L78-L109 HydrophobicContact CD2-CD1 4.22Å; L78-L109 HydrophobicContact CD2-CD2 3.87Å; L78-L109 HydrophobicContact CG-CD2 4.18Å
79	V	98.4	Very high	98.2	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	127.8	172.1	-179.2	0	0	0	0	108.3	C21 P22 A24 L27 A37 R38 F40 G104 I105	C21-V79 HydrophobicContact CB-CG2 4.12Å; P22-V79 HydrophobicContact CG-CB 4.47Å; P22-V79 HydrophobicContact CG-CG2 4.12Å; P22-V79 WeakPolarHBondContact O-CG1 3.31Å; A24-V79 HydrophobicContact CB-CG1 4.15Å; L27-V79 HydrophobicContact CD1-CG1 4.41Å; L27-V79 HydrophobicContact CD2-CG1 4.33Å; A37-V79 CarbonylContact C-O 3.56Å; A37-V79 WeakPolarHBondContact CA-O 3.29Å; A37-V79 WeakPolarHBondContact CB-O 3.47Å; R38-V79 PolarHBondContact N-O 3.06Å; R38-V79 PolarHBondContact O-N 2.74Å; F40-V79 HydrophobicContact CE2-CG2 3.99Å; V79-G104 WeakPolarHBondContact CA-O 3.32Å; V79-I105 HydrophobicContact CG1-CG1 4.27Å; V79-I105 HydrophobicContact CG2-CB 4.44Å; V79-I105 HydrophobicContact CG2-CG1 4.04Å; V79-I105 HydrophobicContact CG2-CG2 4.13Å
80	V	98.6	Very high	98.2	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	130.5	174.7	-175.8	0	0	0	0	109	A24 A37 L78 C84 L86 F101 G102 A103 G104	A24-V80 VanDerWaalsContact CB-O 3.3Å; A24-V80 WeakPolarHBondContact CB-O 3.41Å; A37-V80 HydrophobicContact CB-CG2 4.2Å; L78-V80 HydrophobicContact CD1-CG2 3.75Å; V80-C84 HydrophobicContact CG1-CB 4.01Å; V80-C84 WeakPolarHBondContact CG1-O 3.15Å; V80-L86 HydrophobicContact CG2-CB 3.93Å; V80-F101 HydrophobicContact CG2-CB 3.98Å; V80-G102 WeakPolarHBondContact CB-O 3.37Å; V80-A103 WeakPolarHBondContact O-CA 3.44Å; V80-G104 PolarHBondContact N-O 3.28Å; V80-G104 PolarHBondContact O-N 2.74Å
81	S	98.3	Very high	98.2	Very high	4 Å²	4	31.3 Å²	31.3	3%	0.028	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-60	151.4	178.8	-84.9	0	0	0	0	113	A24 L27 L35 C36 G83 C84 A103	A24-S81 CarbonylContact O-C 3.59Å; A24-S81 VanDerWaalsContact O-CA 3.28Å; A24-S81 WeakPolarHBondContact O-CA 3.46Å; L27-S81 WeakPolarHBondContact CB-OG 3.16Å; L35-S81 VanDerWaalsContact O-CB 3.23Å; L35-S81 WeakPolarHBondContact O-CB 3.46Å; L35-S81 PolarHBondContact O-OG 2.03Å; C36-S81 WeakPolarHBondContact O-CB 3.47Å; C36-S81 PolarHBondContact O-N 2.97Å; S81-G83 PolarHBondContact O-N 2.9Å; S81-C84 WeakPolarHBondContact O-CB 3.32Å; S81-C84 PolarHBondContact O-N 2.87Å; S81-A103 WeakPolarHBondContact O-CB 3.29Å
82	R	97.4	Very high	98.2	Very high	161 Å²	161	32.5 Å²	32.5	61%	0.608	17%	0.166	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-57.8	137.1	170.2	-77.2	-150.7	-170.6	137.6	-4.5	111.8	A24 N25 C84 A103	A24-R82 PolarHBondContact O-N 3Å; N25-R82 PolarHBondContact ND2-NH1 3.34Å; N25-R82 VanDerWaalsContact ND2-NH1 3.13Å; N25-R82 PolarHBondContact ND2-NH2 3.48Å; N25-R82 VanDerWaalsContact ND2-NH2 3.18Å; N25-R82 WeakPolarHBondContact OD1-CD 3.08Å; N25-R82 WeakPolarHBondContact OD1-CG 2.81Å; N25-R82 PolarHBondContact OD1-NE 3Å; N25-R82 PolarHBondContact OD1-NH1 3.32Å; R82-C84 PolarHBondContact O-N 2.79Å; R82-A103 HydrophobicContact CG-CB 4.5Å
83	G	96.7	Very high	98.1	Very high	68 Å²	68	37 Å²	37	70%	0.701	18%	0.183	S	C	*	.	E	Extended strand (participates in β ladder)	trans	77.3	-0.9	-175.7	0	0	0	0	0	114.5	S81	S81-G83 PolarHBondContact O-N 2.9Å
84	C	98.3	Very high	98.1	Very high	7 Å²	7	36.9 Å²	36.9	5%	0.047	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	164.5	-179.2	-53.1	0	0	0	0	112	V80 S81 R82 A103 V130 C131	V80-C84 HydrophobicContact CG1-CB 4.01Å; V80-C84 WeakPolarHBondContact CG1-O 3.15Å; S81-C84 WeakPolarHBondContact O-CB 3.32Å; S81-C84 PolarHBondContact O-N 2.87Å; R82-C84 PolarHBondContact O-N 2.79Å; C84-A103 PolarHBondContact O-N 3.4Å; C84-V130 CarbonylContact C-O 3.41Å; C84-V130 WeakPolarHBondContact CA-O 3.37Å; C84-C131 HydrophobicContact CB-CB 4.04Å; C84-C131 WeakPolarHBondContact CB-SG 3.39Å; C84-C131 WeakPolarHBondContact SG-CB 3.2Å; C84-C131 CovalentContact SG-SG 2.03Å; C84-C131 PolarHBondContact SG-SG 2.66Å
85	S	98.5	Very high	98	Very high	15 Å²	15	41.4 Å²	41.4	11%	0.105	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	137.1	169.5	64.3	0	0	0	0	111.3	K100 F101 V130	S85-K100 WeakPolarHBondContact OG-CE 3.36Å; S85-F101 CarbonylContact C-O 3.58Å; S85-F101 VanDerWaalsContact CA-O 3.25Å; S85-F101 WeakPolarHBondContact CA-O 3.47Å; S85-V130 PolarHBondContact N-O 2.94Å; S85-V130 PolarHBondContact O-N 3.09Å; S85-V130 WeakPolarHBondContact OG-CG1 3.06Å
86	L	98.8	Very high	97.9	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	120	177.2	-179.6	72	0	0	0	108.7	A37 M39 L78 V80 V88 K100 F101 Y127 C129	A37-L86 HydrophobicContact CB-CB 4.23Å; A37-L86 HydrophobicContact CB-CD1 4.24Å; A37-L86 HydrophobicContact CB-CD2 3.97Å; A37-L86 HydrophobicContact CB-CG 4.38Å; M39-L86 HydrophobicContact CG-CD2 4.1Å; M39-L86 HydrophobicContact SD-CD2 3.91Å; L78-L86 HydrophobicContact CD2-CD2 3.96Å; V80-L86 HydrophobicContact CG2-CB 3.93Å; L86-V88 HydrophobicContact CD2-CG1 3.92Å; L86-V88 HydrophobicContact CG-CG1 3.91Å; L86-K100 WeakPolarHBondContact O-CA 3.45Å; L86-F101 HydrophobicContact CB-CB 4.5Å; L86-F101 PolarHBondContact N-O 2.84Å; L86-F101 PolarHBondContact O-N 3.18Å; L86-Y127 HydrophobicContact CD1-CD2 3.99Å; L86-Y127 HydrophobicContact CD1-CG 4.28Å; L86-C129 HydrophobicContact CD1-CB 3.81Å
87	T	98.8	Very high	97.8	Very high	21 Å²	21	46.1 Å²	46.1	13%	0.129	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	132.7	168.6	-52.3	0	0	0	0	108.8	W89 S99 Y127 Y128	T87-W89 HydrophobicContact CG2-CE3 4.32Å; T87-W89 HydrophobicContact CG2-CH2 3.4Å; T87-W89 VanDerWaalsContact CG2-CH2 3.4Å; T87-W89 HydrophobicContact CG2-CZ2 3.62Å; T87-W89 HydrophobicContact CG2-CZ3 3.78Å; T87-W89 VanDerWaalsContact O-CZ3 3.29Å; T87-W89 WeakPolarHBondContact O-CZ3 3.41Å; T87-S99 CarbonylContact C-O 3.54Å; T87-S99 WeakPolarHBondContact CA-O 3.39Å; T87-Y127 CarbonylContact O-C 3.56Å; T87-Y127 WeakPolarHBondContact O-CA 3.38Å; T87-Y128 PolarHBondContact N-O 2.98Å; T87-Y128 PolarHBondContact O-N 3.28Å
88	V	98.6	Very high	97.8	Very high	0 Å²	0	53.3 Å²	53.3	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	155.7	178.7	-57.5	0	0	0	0	110.9	L86 K98 S99 F101 W120 I124 G126	L86-V88 HydrophobicContact CD2-CG1 3.92Å; L86-V88 HydrophobicContact CG-CG1 3.91Å; V88-K98 WeakPolarHBondContact O-CA 3.14Å; V88-K98 WeakPolarHBondContact O-CB 3.45Å; V88-S99 PolarHBondContact N-O 2.81Å; V88-S99 PolarHBondContact O-N 3.49Å; V88-S99 VanDerWaalsContact O-N 3.11Å; V88-F101 HydrophobicContact CG1-CD2 4.33Å; V88-F101 HydrophobicContact CG1-CE2 4.18Å; V88-F101 HydrophobicContact CG2-CD2 4.26Å; V88-F101 HydrophobicContact CG2-CE2 3.54Å; V88-F101 HydrophobicContact CG2-CZ 4.47Å; V88-W120 HydrophobicContact CB-CZ3 4.36Å; V88-W120 HydrophobicContact CG2-CD2 4.18Å; V88-W120 HydrophobicContact CG2-CE3 3.72Å; V88-W120 HydrophobicContact CG2-CH2 3.82Å; V88-W120 HydrophobicContact CG2-CZ2 4.29Å; V88-W120 HydrophobicContact CG2-CZ3 3.52Å; V88-I124 HydrophobicContact CB-CD1 4.2Å; V88-I124 HydrophobicContact CB-CG1 4.05Å; V88-I124 HydrophobicContact CB-CG2 4.05Å; V88-I124 HydrophobicContact CG1-CD1 3.94Å; V88-I124 HydrophobicContact CG1-CG1 4.32Å; V88-I124 HydrophobicContact CG1-CG2 4.18Å; V88-I124 HydrophobicContact CG2-CD1 4.24Å; V88-I124 HydrophobicContact CG2-CG1 4.12Å; V88-G126 CarbonylContact C-O 3.31Å; V88-G126 WeakPolarHBondContact CA-O 3.38Å
89	W	98.6	Very high	97.8	Very high	29 Å²	29	54.6 Å²	54.6	11%	0.11	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	142.9	177.5	-69.9	-97.9	0	0	0	111.3	T87 K94 S97 K98 S125 G126	T87-W89 HydrophobicContact CG2-CE3 4.32Å; T87-W89 HydrophobicContact CG2-CH2 3.4Å; T87-W89 VanDerWaalsContact CG2-CH2 3.4Å; T87-W89 HydrophobicContact CG2-CZ2 3.62Å; T87-W89 HydrophobicContact CG2-CZ3 3.78Å; T87-W89 VanDerWaalsContact O-CZ3 3.29Å; T87-W89 WeakPolarHBondContact O-CZ3 3.41Å; W89-K94 VanDerWaalsContact CD1-O 3.23Å; W89-K94 HydrophobicContact CD2-CB 3.83Å; W89-K94 HydrophobicContact CD2-CG 3.92Å; W89-K94 HydrophobicContact CE3-CB 4.43Å; W89-K94 HydrophobicContact CE3-CD 4.5Å; W89-K94 HydrophobicContact CE3-CG 4Å; W89-K94 HydrophobicContact CG-CB 3.96Å; W89-K94 HydrophobicContact CG-CG 4.43Å; W89-K94 HydrophobicContact CH2-CD 3.98Å; W89-K94 HydrophobicContact CH2-CG 4.35Å; W89-K94 HydrophobicContact CZ2-CB 4.27Å; W89-K94 HydrophobicContact CZ2-CD 3.98Å; W89-K94 HydrophobicContact CZ2-CG 4.26Å; W89-K94 HydrophobicContact CZ3-CD 4.24Å; W89-K94 HydrophobicContact CZ3-CG 4.22Å; W89-K94 PolarHBondContact NE1-O 2.72Å; W89-S97 WeakPolarHBondContact CA-O 3.39Å; W89-K98 HydrophobicContact CG-CB 4.27Å; W89-S125 PolarHBondContact O-N 3.07Å; W89-G126 PolarHBondContact N-O 3.33Å; W89-G126 PolarHBondContact O-N 2.87Å
90	K	97.3	Very high	97.7	Very high	43 Å²	43	61.2 Å²	61.2	19%	0.187	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66	-39.1	177.7	178.8	176.3	-172.4	115.8	0	113.1	S97 W120 D123 S125	K90-S97 PolarHBondContact N-O 2.88Å; K90-W120 HydrophobicContact CB-CH2 4.48Å; K90-W120 HydrophobicContact CB-CZ3 4.44Å; K90-D123 WeakPolarHBondContact CA-O 2.98Å; K90-D123 WeakPolarHBondContact CD-OD2 3.36Å; K90-D123 WeakPolarHBondContact CE-OD2 3.27Å; K90-D123 WeakPolarHBondContact CG-OD2 3.49Å; K90-D123 IonicContact NZ-OD1 3.59Å; K90-D123 IonicContact NZ-OD2 2.66Å; K90-D123 PolarHBondContact NZ-OD2 2.93Å; K90-S125 VanDerWaalsContact O-CB 3.27Å; K90-S125 WeakPolarHBondContact O-CB 3.21Å; K90-S125 PolarHBondContact O-OG 2.78Å
91	Y	97.8	Very high	97.7	Very high	121 Å²	121	61.5 Å²	61.5	48%	0.475	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	150.1	-178.8	-58.4	-51.2	0	0	0	111.4	K94 R95	Y91-K94 PolarHBondContact O-N 3.11Å; Y91-R95 PolarHBondContact N-O 2.58Å; Y91-R95 VanDerWaalsContact N-O 3.09Å; Y91-R95 PolarHBondContact O-N 2.82Å; Y91-R95 VanDerWaalsContact O-N 3.14Å
92	T	97.6	Very high	97.7	Very high	44 Å²	44	63.4 Å²	63.4	27%	0.27	33%	0.328	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.5	155.8	173.2	61.5	0	0	0	0	112	P65 I66 K94 R95	P65-T92 CarbonylContact O-C 3.42Å; I66-T92 HydrophobicContact CG2-CG2 4.12Å; T92-K94 VanDerWaalsContact C-N 3.25Å; T92-R95 PolarHBondContact O-NE 3.37Å
93	K	97.3	Very high	97.8	Very high	144 Å²	144	58.3 Å²	58.3	63%	0.626	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	62.2	32.5	-173.1	-50	179	-173.4	-177	0	112.5	P65 I66 R95	P65-K93 WeakPolarHBondContact O-CA 3.36Å; P65-K93 PolarHBondContact O-N 2.95Å; I66-K93 HydrophobicContact CD1-CG 4.12Å; I66-K93 HydrophobicContact CG1-CG 4.18Å; K93-R95 PolarHBondContact O-N 3.49Å
94	K	97.1	Very high	97.8	Very high	65 Å²	65	56.2 Å²	56.2	28%	0.283	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	56.6	44.1	178.2	-58.8	-176.8	177.3	-180	0	114.1	D63 P65 W89 Y91 T92	D63-K94 WeakPolarHBondContact OD1-CE 3.38Å; D63-K94 IonicContact OD1-NZ 3.26Å; D63-K94 PolarHBondContact OD1-NZ 3.4Å; D63-K94 IonicContact OD2-NZ 2.81Å; D63-K94 PolarHBondContact OD2-NZ 3.44Å; P65-K94 HydrophobicContact CB-CG 4.19Å; W89-K94 VanDerWaalsContact CD1-O 3.23Å; W89-K94 HydrophobicContact CD2-CB 3.83Å; W89-K94 HydrophobicContact CD2-CG 3.92Å; W89-K94 HydrophobicContact CE3-CB 4.43Å; W89-K94 HydrophobicContact CE3-CD 4.5Å; W89-K94 HydrophobicContact CE3-CG 4Å; W89-K94 HydrophobicContact CG-CB 3.96Å; W89-K94 HydrophobicContact CG-CG 4.43Å; W89-K94 HydrophobicContact CH2-CD 3.98Å; W89-K94 HydrophobicContact CH2-CG 4.35Å; W89-K94 HydrophobicContact CZ2-CB 4.27Å; W89-K94 HydrophobicContact CZ2-CD 3.98Å; W89-K94 HydrophobicContact CZ2-CG 4.26Å; W89-K94 HydrophobicContact CZ3-CD 4.24Å; W89-K94 HydrophobicContact CZ3-CG 4.22Å; W89-K94 PolarHBondContact NE1-O 2.72Å; Y91-K94 PolarHBondContact O-N 3.11Å; T92-K94 VanDerWaalsContact C-N 3.25Å
95	R	97.3	Very high	97.7	Very high	146 Å²	146	57.9 Å²	57.9	55%	0.551	31%	0.306	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-108.2	166.7	-178.2	-65.5	-173.6	-59.9	142.4	3.4	111.8	Y91 T92 K93	Y91-R95 PolarHBondContact N-O 2.58Å; Y91-R95 VanDerWaalsContact N-O 3.09Å; Y91-R95 PolarHBondContact O-N 2.82Å; Y91-R95 VanDerWaalsContact O-N 3.14Å; T92-R95 PolarHBondContact O-NE 3.37Å; K93-R95 PolarHBondContact O-N 3.49Å
96	G	95.8	Very high	97.7	Very high	50 Å²	50	61.5 Å²	61.5	52%	0.515	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	75.2	-154.1	177.5	0	0	0	0	0	112.9
97	S	96.7	Very high	97.6	Very high	50 Å²	50	65.5 Å²	65.5	35%	0.35	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.7	145	175.8	-58.3	0	0	0	0	110.9	W89 K90 W120	W89-S97 WeakPolarHBondContact CA-O 3.39Å; K90-S97 PolarHBondContact N-O 2.88Å; S97-W120 WeakPolarHBondContact O-CH2 3.15Å
98	K	97.1	Very high	97.6	Very high	152 Å²	152	67 Å²	67	66%	0.661	34%	0.339	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-132	148.2	174.7	71.8	176.9	-176.7	177.9	0	110.7	V88 W89 W120	V88-K98 WeakPolarHBondContact O-CA 3.14Å; V88-K98 WeakPolarHBondContact O-CB 3.45Å; W89-K98 HydrophobicContact CG-CB 4.27Å; K98-W120 VanDerWaalsContact C-CZ2 3.48Å
99	S	98	Very high	97.6	Very high	27 Å²	27	67 Å²	67	19%	0.189	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	150.7	172.4	-174.5	0	0	0	0	110	T87 V88	T87-S99 CarbonylContact C-O 3.54Å; T87-S99 WeakPolarHBondContact CA-O 3.39Å; V88-S99 PolarHBondContact N-O 2.81Å; V88-S99 PolarHBondContact O-N 3.49Å; V88-S99 VanDerWaalsContact O-N 3.11Å
100	K	98.3	Very high	97.5	Very high	139 Å²	139	71.1 Å²	71.1	60%	0.604	36%	0.358	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-117.1	119	176.5	-173.7	176.9	-177.3	177.5	0	108.8	S85 L86	S85-K100 WeakPolarHBondContact OG-CE 3.36Å; L86-K100 WeakPolarHBondContact O-CA 3.45Å
101	F	98.4	Very high	97.5	Very high	6 Å²	6	73.4 Å²	73.4	3%	0.026	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	124.6	173.1	-57.9	-77.6	0	0	0	109.3	L78 V80 S85 L86 V88 K106 L109 T112 W120	L78-F101 HydrophobicContact CD1-CB 4.1Å; L78-F101 HydrophobicContact CD1-CD1 4.38Å; L78-F101 HydrophobicContact CD1-CD2 4.44Å; L78-F101 HydrophobicContact CD1-CG 4.07Å; L78-F101 HydrophobicContact CD2-CD2 3.81Å; L78-F101 HydrophobicContact CD2-CE2 3.83Å; L78-F101 HydrophobicContact CD2-CG 4.21Å; L78-F101 HydrophobicContact CD2-CZ 4.27Å; V80-F101 HydrophobicContact CG2-CB 3.98Å; S85-F101 CarbonylContact C-O 3.58Å; S85-F101 VanDerWaalsContact CA-O 3.25Å; S85-F101 WeakPolarHBondContact CA-O 3.47Å; L86-F101 HydrophobicContact CB-CB 4.5Å; L86-F101 PolarHBondContact N-O 2.84Å; L86-F101 PolarHBondContact O-N 3.18Å; V88-F101 HydrophobicContact CG1-CD2 4.33Å; V88-F101 HydrophobicContact CG1-CE2 4.18Å; V88-F101 HydrophobicContact CG2-CD2 4.26Å; V88-F101 HydrophobicContact CG2-CE2 3.54Å; V88-F101 HydrophobicContact CG2-CZ 4.47Å; F101-K106 HydrophobicContact CD1-CD 4.36Å; F101-K106 HydrophobicContact CD1-CG 3.81Å; F101-K106 HydrophobicContact CE1-CG 4.24Å; F101-L109 HydrophobicContact CE1-CD2 3.87Å; F101-L109 HydrophobicContact CE2-CD2 4.41Å; F101-L109 HydrophobicContact CZ-CD2 3.62Å; F101-T112 HydrophobicContact CE1-CG2 3.84Å; F101-T112 HydrophobicContact CZ-CG2 4.18Å; F101-W120 HydrophobicContact CZ-CG 4.36Å
102	G	98.2	Very high	97.4	Very high	43 Å²	43	69 Å²	69	44%	0.443	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	177.7	169.3	0	0	0	0	0	111.7	V80	V80-G102 WeakPolarHBondContact CB-O 3.37Å
103	A	97.8	Very high	97.3	Very high	55 Å²	55	72 Å²	72	46%	0.455	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-49.2	140.3	175.7	0	0	0	0	0	113.2	V80 S81 R82 C84	V80-A103 WeakPolarHBondContact O-CA 3.44Å; S81-A103 WeakPolarHBondContact O-CB 3.29Å; R82-A103 HydrophobicContact CG-CB 4.5Å; C84-A103 PolarHBondContact O-N 3.4Å
104	G	97.3	Very high	97.2	Very high	23 Å²	23	66.4 Å²	66.4	24%	0.237	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	122.7	-172	179	0	0	0	0	0	113	V79 V80	V79-G104 WeakPolarHBondContact CA-O 3.32Å; V80-G104 PolarHBondContact N-O 3.28Å; V80-G104 PolarHBondContact O-N 2.74Å
105	I	97.6	Very high	96.8	Very high	43 Å²	43	66 Å²	66	22%	0.221	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	135.1	-175.6	-54.2	168.4	0	0	0	109	C21 V79 Y107	C21-I105 HydrophobicContact CB-CD1 3.97Å; C21-I105 HydrophobicContact CB-CG1 4.4Å; C21-I105 HydrophobicContact CB-CG2 3.8Å; V79-I105 HydrophobicContact CG1-CG1 4.27Å; V79-I105 HydrophobicContact CG2-CB 4.44Å; V79-I105 HydrophobicContact CG2-CG1 4.04Å; V79-I105 HydrophobicContact CG2-CG2 4.13Å; I105-Y107 HydrophobicContact CB-CE1 4.34Å; I105-Y107 HydrophobicContact CB-CE2 4.27Å; I105-Y107 HydrophobicContact CD1-CE1 4.38Å; I105-Y107 HydrophobicContact CG2-CD1 3.59Å; I105-Y107 HydrophobicContact CG2-CD2 4.14Å; I105-Y107 HydrophobicContact CG2-CE1 3.49Å; I105-Y107 VanDerWaalsContact CG2-CE1 3.49Å; I105-Y107 HydrophobicContact CG2-CE2 4.04Å; I105-Y107 HydrophobicContact CG2-CG 3.93Å
106	K	97.8	Very high	96.4	Very high	91 Å²	91	66.3 Å²	66.3	40%	0.396	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	93.9	165.9	-65.5	-60.6	179	-172	0	107.8	S77 L78 F101 R108 L109	S77-K106 WeakPolarHBondContact CA-O 3.43Å; S77-K106 WeakPolarHBondContact CB-O 3.31Å; L78-K106 HydrophobicContact CD1-CB 3.79Å; L78-K106 HydrophobicContact CD1-CG 3.76Å; L78-K106 HydrophobicContact CG-CB 3.97Å; L78-K106 HydrophobicContact CG-CG 4.41Å; L78-K106 PolarHBondContact N-O 3.08Å; L78-K106 PolarHBondContact O-N 3.15Å; F101-K106 HydrophobicContact CD1-CD 4.36Å; F101-K106 HydrophobicContact CD1-CG 3.81Å; F101-K106 HydrophobicContact CE1-CG 4.24Å; K106-R108 PolarHBondContact O-N 3.36Å; K106-L109 HydrophobicContact CB-CD2 4.36Å
107	Y	97.4	Very high	96	Very high	83 Å²	83	72.2 Å²	72.2	33%	0.325	38%	0.381	S	S	.	.	S	Bend	trans	-61.8	-33.1	-175.7	-64.4	-73.9	0	0	0	112.8	C21 S43 Y47 S50 S77 I105	C21-Y107 HydrophobicContact CB-CE1 4.29Å; S43-Y107 WeakPolarHBondContact CB-O 3.42Å; Y47-Y107 HydrophobicContact CD1-CG 4.43Å; Y47-Y107 HydrophobicContact CD2-CD2 4.03Å; Y47-Y107 HydrophobicContact CD2-CG 4.43Å; Y47-Y107 HydrophobicContact CG-CD2 4.02Å; Y47-Y107 AromaticContact CG-CG 3.95Å; Y47-Y107 HydrophobicContact CG-CG 3.95Å; Y47-Y107 WeakPolarHBondContact O-CD1 3.49Å; S50-Y107 WeakPolarHBondContact CB-O 3.47Å; S50-Y107 PolarHBondContact OG-O 3.28Å; S77-Y107 WeakPolarHBondContact CB-O 3.46Å; I105-Y107 HydrophobicContact CB-CE1 4.34Å; I105-Y107 HydrophobicContact CB-CE2 4.27Å; I105-Y107 HydrophobicContact CD1-CE1 4.38Å; I105-Y107 HydrophobicContact CG2-CD1 3.59Å; I105-Y107 HydrophobicContact CG2-CD2 4.14Å; I105-Y107 HydrophobicContact CG2-CE1 3.49Å; I105-Y107 VanDerWaalsContact CG2-CE1 3.49Å; I105-Y107 HydrophobicContact CG2-CE2 4.04Å; I105-Y107 HydrophobicContact CG2-CG 3.93Å
108	R	97.5	Very high	95.9	Very high	53 Å²	53	71.8 Å²	71.8	20%	0.2	38%	0.384	C	S	.	.			trans	-146.2	118	-177.3	-59.6	172.9	75.8	-162.8	10.9	110.3	H44 Y47 K106 K110 E111	H44-R108 WeakPolarHBondContact O-CD 3.46Å; H44-R108 WeakPolarHBondContact O-CG 3.21Å; H44-R108 PolarHBondContact O-NE 3.16Å; Y47-R108 HydrophobicContact CD1-CG 4.25Å; Y47-R108 VanDerWaalsContact CE1-CD 3.46Å; Y47-R108 HydrophobicContact CE1-CG 4.18Å; K106-R108 PolarHBondContact O-N 3.36Å; R108-K110 PolarHBondContact O-N 3.43Å; R108-E111 HydrophobicContact CB-CG 4.13Å; R108-E111 WeakPolarHBondContact CD-OE1 3.49Å; R108-E111 IonicContact CZ-OE1 2.82Å; R108-E111 IonicContact NE-OE1 3.68Å; R108-E111 IonicContact NH1-OE1 2.58Å; R108-E111 PolarHBondContact NH1-OE1 3.05Å; R108-E111 PolarHBondContact O-N 3.05Å
109	L	98.1	Very high	95.9	Very high	0 Å²	0	66.3 Å²	66.3	0%	0	36%	0.362	C	S	.	.	G	3₁₀ helix	trans	-74.1	-21.9	176.6	-71.3	-176.9	0	0	0	112.3	I75 S76 L78 F101 K106 E111 T112 W120 I124	I75-L109 HydrophobicContact CB-CD1 4.5Å; I75-L109 HydrophobicContact CG2-CD1 3.76Å; S76-L109 WeakPolarHBondContact O-CB 2.77Å; S76-L109 WeakPolarHBondContact O-CG 3.44Å; S76-L109 PolarHBondContact O-N 2.99Å; L78-L109 HydrophobicContact CD2-CD1 4.22Å; L78-L109 HydrophobicContact CD2-CD2 3.87Å; L78-L109 HydrophobicContact CG-CD2 4.18Å; F101-L109 HydrophobicContact CE1-CD2 3.87Å; F101-L109 HydrophobicContact CE2-CD2 4.41Å; F101-L109 HydrophobicContact CZ-CD2 3.62Å; K106-L109 HydrophobicContact CB-CD2 4.36Å; L109-E111 PolarHBondContact O-N 3.19Å; L109-E111 VanDerWaalsContact O-N 3.07Å; L109-T112 WeakPolarHBondContact O-CB 3.2Å; L109-T112 PolarHBondContact O-N 3.4Å; L109-W120 HydrophobicContact CB-CB 3.91Å; L109-W120 HydrophobicContact CD1-CB 4.44Å; L109-W120 HydrophobicContact CD2-CB 4.29Å; L109-W120 HydrophobicContact CG-CB 4.45Å; L109-W120 PolarHBondContact O-N 3.25Å; L109-I124 HydrophobicContact CD1-CD1 3.74Å
110	K	97.3	Very high	95.9	Very high	115 Å²	115	65.1 Å²	65.1	50%	0.5	35%	0.354	S	S	.	.	G	3₁₀ helix	trans	-54.6	-22.8	169.4	-155.2	175.6	-174.6	172.5	0	114.9	R108 M113 D119 E121	R108-K110 PolarHBondContact O-N 3.43Å; K110-M113 WeakPolarHBondContact O-CE 3.47Å; K110-D119 WeakPolarHBondContact CG-OD2 3.19Å; K110-D119 WeakPolarHBondContact O-CB 3.32Å; K110-E121 HydrophobicContact CB-CB 3.98Å; K110-E121 HydrophobicContact CB-CG 4.31Å; K110-E121 HydrophobicContact CG-CB 4.27Å; K110-E121 PolarHBondContact N-OE2 2.9Å
111	E	96.8	Very high	95.9	Very high	91 Å²	91	60.5 Å²	60.5	43%	0.425	33%	0.334	S	S	.	.	G	3₁₀ helix	trans	-90.6	-8.2	177.8	-61.7	174.8	173.7	0	0	112.5	Y47 R108 L109	Y47-E111 VanDerWaalsContact CE1-OE1 3.31Å; Y47-E111 WeakPolarHBondContact CE1-OE1 3.32Å; Y47-E111 PolarHBondContact OH-OE1 3.45Å; Y47-E111 PolarHBondContact OH-OE2 3.24Å; R108-E111 HydrophobicContact CB-CG 4.13Å; R108-E111 WeakPolarHBondContact CD-OE1 3.49Å; R108-E111 IonicContact CZ-OE1 2.82Å; R108-E111 IonicContact NE-OE1 3.68Å; R108-E111 IonicContact NH1-OE1 2.58Å; R108-E111 PolarHBondContact NH1-OE1 3.05Å; R108-E111 PolarHBondContact O-N 3.05Å; L109-E111 PolarHBondContact O-N 3.19Å; L109-E111 VanDerWaalsContact O-N 3.07Å
112	T	96.4	Very high	95.9	Very high	29 Å²	29	63.5 Å²	63.5	18%	0.178	35%	0.351	C	S	.	.	S	Bend	trans	-98.3	108.1	176.9	-51.4	0	0	0	0	108.8	F101 L109 D119 W120	F101-T112 HydrophobicContact CE1-CG2 3.84Å; F101-T112 HydrophobicContact CZ-CG2 4.18Å; L109-T112 WeakPolarHBondContact O-CB 3.2Å; L109-T112 PolarHBondContact O-N 3.4Å; T112-D119 CarbonylContact O-C 3.52Å; T112-D119 WeakPolarHBondContact O-CA 3.36Å; T112-D119 WeakPolarHBondContact O-CB 3.25Å; T112-W120 VanDerWaalsContact CG2-CD1 3.46Å; T112-W120 HydrophobicContact CG2-CG 4.38Å; T112-W120 VanDerWaalsContact O-CD1 3.23Å; T112-W120 PolarHBondContact O-N 3.49Å
113	M	95.7	Very high	95.9	Very high	107 Å²	107	62.9 Å²	62.9	53%	0.527	34%	0.337	S	S	.	.	B	Isolated β-bridge	trans	-75.2	149.8	-178.2	-61.9	-64.6	113.5	0	0	112.6	K110 G115 D119	K110-M113 WeakPolarHBondContact O-CE 3.47Å; M113-G115 VanDerWaalsContact C-N 3.33Å; M113-D119 HydrophobicContact CE-CB 3.66Å; M113-D119 HydrophobicContact SD-CB 4.37Å
114	Q	94.1	Very high	95.9	Very high	27 Å²	27	60.2 Å²	60.2	13%	0.126	32%	0.315	C	S	.	.			trans	-94	19.9	173.1	-71.7	-171	-7.6	0	0	113.8	G118 D119 W120 D123	Q114-G118 PolarHBondContact N-O 3.19Å; Q114-D119 VanDerWaalsContact CD-O 3.29Å; Q114-D119 PolarHBondContact NE2-O 3.18Å; Q114-W120 HydrophobicContact CG-CD2 3.89Å; Q114-W120 HydrophobicContact CG-CG 4.04Å; Q114-W120 HydrophobicContact CG-CZ2 4.03Å; Q114-W120 VanDerWaalsContact NE2-CE3 3.3Å; Q114-D123 PolarHBondContact NE2-OD2 2.66Å; Q114-D123 PolarHBondContact OE1-OD2 3.31Å
115	G	90.3	Very high	96	Very high	55 Å²	55	59.4 Å²	59.4	57%	0.567	31%	0.306	S	S	*	.	S	Bend	trans	120.5	-135.1	-170.7	0	0	0	0	0	110.1	M113	M113-G115 VanDerWaalsContact C-N 3.33Å
116	L	87.1	Confident	96	Very high	154 Å²	154	57.4 Å²	57.4	81%	0.806	30%	0.295	S	S	*	.	S	Bend	trans	-78.6	-26.2	-178.9	-170.4	63.3	0	0	0	113.3
117	F	88.7	Confident	96.1	Very high	173 Å²	173	53.2 Å²	53.2	76%	0.759	28%	0.277	S	S	*	.	S	Bend	trans	-132.6	139.5	-178.5	-58	-73.6	0	0	0	110.5
118	G	94.3	Very high	96.1	Very high	41 Å²	41	53.1 Å²	53.1	42%	0.423	28%	0.277	S	S	.	.			trans	78.5	165.8	176.1	0	0	0	0	0	114.1	Q114	Q114-G118 PolarHBondContact N-O 3.19Å
119	D	97.6	Very high	96.2	Very high	38 Å²	38	50.6 Å²	50.6	20%	0.203	27%	0.267	C	S	.	.	B	Isolated β-bridge	trans	-133.5	179.8	-179.5	59.8	63.2	0	0	0	109.6	K110 T112 M113 Q114 E121	K110-D119 WeakPolarHBondContact CG-OD2 3.19Å; K110-D119 WeakPolarHBondContact O-CB 3.32Å; T112-D119 CarbonylContact O-C 3.52Å; T112-D119 WeakPolarHBondContact O-CA 3.36Å; T112-D119 WeakPolarHBondContact O-CB 3.25Å; M113-D119 HydrophobicContact CE-CB 3.66Å; M113-D119 HydrophobicContact SD-CB 4.37Å; Q114-D119 VanDerWaalsContact CD-O 3.29Å; Q114-D119 PolarHBondContact NE2-O 3.18Å; D119-E121 VanDerWaalsContact C-N 3.34Å; D119-E121 WeakPolarHBondContact OD1-CB 3.45Å; D119-E121 PolarHBondContact OD1-N 3.24Å
120	W	98.3	Very high	96.2	Very high	2 Å²	2	52.9 Å²	52.9	1%	0.008	28%	0.281	C	S	.	.	S	Bend	trans	-88.6	0.7	-176.6	-76.7	97.5	0	0	0	113.9	V88 K90 S97 K98 F101 L109 T112 Q114 N122 D123 I124	V88-W120 HydrophobicContact CB-CZ3 4.36Å; V88-W120 HydrophobicContact CG2-CD2 4.18Å; V88-W120 HydrophobicContact CG2-CE3 3.72Å; V88-W120 HydrophobicContact CG2-CH2 3.82Å; V88-W120 HydrophobicContact CG2-CZ2 4.29Å; V88-W120 HydrophobicContact CG2-CZ3 3.52Å; K90-W120 HydrophobicContact CB-CH2 4.48Å; K90-W120 HydrophobicContact CB-CZ3 4.44Å; S97-W120 WeakPolarHBondContact O-CH2 3.15Å; K98-W120 VanDerWaalsContact C-CZ2 3.48Å; F101-W120 HydrophobicContact CZ-CG 4.36Å; L109-W120 HydrophobicContact CB-CB 3.91Å; L109-W120 HydrophobicContact CD1-CB 4.44Å; L109-W120 HydrophobicContact CD2-CB 4.29Å; L109-W120 HydrophobicContact CG-CB 4.45Å; L109-W120 PolarHBondContact O-N 3.25Å; T112-W120 VanDerWaalsContact CG2-CD1 3.46Å; T112-W120 HydrophobicContact CG2-CG 4.38Å; T112-W120 VanDerWaalsContact O-CD1 3.23Å; T112-W120 PolarHBondContact O-N 3.49Å; Q114-W120 HydrophobicContact CG-CD2 3.89Å; Q114-W120 HydrophobicContact CG-CG 4.04Å; Q114-W120 HydrophobicContact CG-CZ2 4.03Å; Q114-W120 VanDerWaalsContact NE2-CE3 3.3Å; W120-N122 PolarHBondContact O-N 2.92Å; W120-D123 PolarHBondContact O-N 3.14Å; W120-I124 HydrophobicContact CE3-CG1 3.83Å; W120-I124 HydrophobicContact CZ3-CG1 4.23Å
121	E	98.1	Very high	96.1	Very high	42 Å²	42	51.6 Å²	51.6	20%	0.196	29%	0.286	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.9	121.6	176.6	-170.1	72.7	-179.2	0	0	109.8	S43 S76 K110 D119 D123	S43-E121 PolarHBondContact OG-OE1 2.79Å; S76-E121 WeakPolarHBondContact CA-OE2 3.17Å; S76-E121 WeakPolarHBondContact CB-OE1 3.22Å; S76-E121 WeakPolarHBondContact CB-OE2 3.44Å; K110-E121 HydrophobicContact CB-CB 3.98Å; K110-E121 HydrophobicContact CB-CG 4.31Å; K110-E121 HydrophobicContact CG-CB 4.27Å; K110-E121 PolarHBondContact N-OE2 2.9Å; D119-E121 VanDerWaalsContact C-N 3.34Å; D119-E121 WeakPolarHBondContact OD1-CB 3.45Å; D119-E121 PolarHBondContact OD1-N 3.24Å; E121-D123 PolarHBondContact O-N 3.28Å
122	N	98.1	Very high	96	Very high	69 Å²	69	49.7 Å²	49.7	37%	0.369	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	55.1	37	174.9	-64.9	-38.4	0	0	0	113.3	N73 R74 I75 W120	N73-N122 CarbonylContact C-O 3.47Å; N73-N122 VanDerWaalsContact CA-C 3.5Å; N73-N122 WeakPolarHBondContact CA-O 3.4Å; N73-N122 WeakPolarHBondContact CB-O 3.17Å; N73-N122 VanDerWaalsContact O-CB 3.25Å; N73-N122 WeakPolarHBondContact O-CB 3.36Å; R74-N122 WeakPolarHBondContact CA-OD1 2.99Å; R74-N122 PolarHBondContact O-OD1 3.37Å; R74-N122 VanDerWaalsContact O-OD1 3.05Å; I75-N122 PolarHBondContact O-N 2.95Å; W120-N122 PolarHBondContact O-N 2.92Å
123	D	98.1	Very high	96	Very high	29 Å²	29	50.7 Å²	50.7	16%	0.155	28%	0.284	C	S	.	.			trans	-138.1	22.4	-173	-154.8	42.6	0	0	0	113.3	K90 Q114 W120 E121	K90-D123 WeakPolarHBondContact CA-O 2.98Å; K90-D123 WeakPolarHBondContact CD-OD2 3.36Å; K90-D123 WeakPolarHBondContact CE-OD2 3.27Å; K90-D123 WeakPolarHBondContact CG-OD2 3.49Å; K90-D123 IonicContact NZ-OD1 3.59Å; K90-D123 IonicContact NZ-OD2 2.66Å; K90-D123 PolarHBondContact NZ-OD2 2.93Å; Q114-D123 PolarHBondContact NE2-OD2 2.66Å; Q114-D123 PolarHBondContact OE1-OD2 3.31Å; W120-D123 PolarHBondContact O-N 3.14Å; E121-D123 PolarHBondContact O-N 3.28Å
124	I	98.5	Very high	96	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	27%	0.271	C	S	.	.			trans	-97.3	126.4	174.9	-64.1	168.2	0	0	0	109.8	N73 I75 V88 L109 W120	N73-I124 PolarHBondContact N-O 2.94Å; I75-I124 HydrophobicContact CB-CD1 4.04Å; I75-I124 HydrophobicContact CD1-CB 4.11Å; I75-I124 HydrophobicContact CD1-CD1 4.23Å; I75-I124 HydrophobicContact CD1-CG2 3.98Å; I75-I124 HydrophobicContact CG2-CD1 3.96Å; V88-I124 HydrophobicContact CB-CD1 4.2Å; V88-I124 HydrophobicContact CB-CG1 4.05Å; V88-I124 HydrophobicContact CB-CG2 4.05Å; V88-I124 HydrophobicContact CG1-CD1 3.94Å; V88-I124 HydrophobicContact CG1-CG1 4.32Å; V88-I124 HydrophobicContact CG1-CG2 4.18Å; V88-I124 HydrophobicContact CG2-CD1 4.24Å; V88-I124 HydrophobicContact CG2-CG1 4.12Å; L109-I124 HydrophobicContact CD1-CD1 3.74Å; W120-I124 HydrophobicContact CE3-CG1 3.83Å; W120-I124 HydrophobicContact CZ3-CG1 4.23Å
125	S	98.5	Very high	96.2	Very high	6 Å²	6	48.8 Å²	48.8	4%	0.042	28%	0.279	C	S	.	.			trans	-122.2	-5.7	177.6	-67.3	0	0	0	0	114.5	I67 N72 N73 W89 K90	I67-S125 WeakPolarHBondContact CG2-O 3.31Å; I67-S125 PolarHBondContact N-O 3.03Å; I67-S125 VanDerWaalsContact N-O 3.11Å; N72-S125 WeakPolarHBondContact OD1-CA 3.21Å; N72-S125 WeakPolarHBondContact OD1-CB 3.13Å; N72-S125 PolarHBondContact OD1-OG 3.03Å; N73-S125 PolarHBondContact OD1-OG 2.93Å; W89-S125 PolarHBondContact O-N 3.07Å; K90-S125 VanDerWaalsContact O-CB 3.27Å; K90-S125 WeakPolarHBondContact O-CB 3.21Å; K90-S125 PolarHBondContact O-OG 2.78Å
126	G	98.4	Very high	96.5	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-166.7	155.6	176.6	0	0	0	0	0	111	V64 V88 W89	V64-G126 CarbonylContact O-C 3.6Å; V64-G126 VanDerWaalsContact O-CA 3.29Å; V64-G126 WeakPolarHBondContact O-CA 3.45Å; V88-G126 CarbonylContact C-O 3.31Å; V88-G126 WeakPolarHBondContact CA-O 3.38Å; W89-G126 PolarHBondContact N-O 3.33Å; W89-G126 PolarHBondContact O-N 2.87Å
127	Y	98.7	Very high	97.2	Very high	4 Å²	4	41.4 Å²	41.4	2%	0.016	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150	163.8	-178.2	68.8	-96.7	0	0	0	112.8	M39 L56 A58 E62 V64 I67 L86 T87	M39-Y127 HydrophobicContact CE-CD1 4Å; M39-Y127 HydrophobicContact CE-CE1 3.85Å; M39-Y127 HydrophobicContact CE-CE2 4.4Å; M39-Y127 HydrophobicContact CE-CG 4.32Å; M39-Y127 HydrophobicContact SD-CD1 4.34Å; L56-Y127 HydrophobicContact CD2-CE1 3.91Å; A58-Y127 HydrophobicContact CB-CD2 4.15Å; A58-Y127 HydrophobicContact CB-CE2 3.57Å; E62-Y127 HydrophobicContact CG-CE2 4.41Å; E62-Y127 PolarHBondContact OE1-OH 2.65Å; E62-Y127 PolarHBondContact OE2-OH 2.79Å; V64-Y127 CarbonylContact C-O 3.58Å; V64-Y127 HydrophobicContact CB-CD1 4Å; V64-Y127 HydrophobicContact CB-CD2 4.26Å; V64-Y127 HydrophobicContact CB-CE1 3.66Å; V64-Y127 HydrophobicContact CB-CE2 3.94Å; V64-Y127 HydrophobicContact CB-CG 4.3Å; V64-Y127 HydrophobicContact CG1-CD1 4.36Å; V64-Y127 HydrophobicContact CG1-CE1 3.89Å; V64-Y127 HydrophobicContact CG2-CD2 4.37Å; V64-Y127 HydrophobicContact CG2-CE1 3.88Å; V64-Y127 HydrophobicContact CG2-CE2 3.6Å; V64-Y127 WeakPolarHBondContact CG2-OH 3.11Å; V64-Y127 PolarHBondContact N-O 2.75Å; V64-Y127 PolarHBondContact O-N 2.99Å; I67-Y127 HydrophobicContact CD1-CD1 4.21Å; I67-Y127 HydrophobicContact CD1-CE1 4.29Å; I67-Y127 HydrophobicContact CG1-CD1 4.42Å; I67-Y127 HydrophobicContact CG1-CE1 4.2Å; L86-Y127 HydrophobicContact CD1-CD2 3.99Å; L86-Y127 HydrophobicContact CD1-CG 4.28Å; T87-Y127 CarbonylContact O-C 3.56Å; T87-Y127 WeakPolarHBondContact O-CA 3.38Å
128	Y	98.7	Very high	97.8	Very high	80 Å²	80	32 Å²	32	31%	0.314	19%	0.187	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.7	125.4	173.9	171.6	-123.7	0	0	0	107.6	E62 D63 T87 V130	E62-Y128 WeakPolarHBondContact O-CA 3.35Å; E62-Y128 WeakPolarHBondContact O-CD2 3.48Å; D63-Y128 HydrophobicContact CB-CD2 3.8Å; D63-Y128 HydrophobicContact CB-CE2 4.3Å; T87-Y128 PolarHBondContact N-O 2.98Å; T87-Y128 PolarHBondContact O-N 3.28Å; Y128-V130 HydrophobicContact CE1-CB 4.21Å; Y128-V130 HydrophobicContact CE1-CG1 4.45Å
129	C	98.2	Very high	98	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	126.8	-176	-148.3	0	0	0	0	110.9	C36 A58 G61 E62 L86	C36-C129 HydrophobicContact CB-CB 3.7Å; C36-C129 WeakPolarHBondContact CB-SG 3.08Å; C36-C129 VanDerWaalsContact SG-C 3.54Å; C36-C129 WeakPolarHBondContact SG-CB 3.2Å; C36-C129 CovalentContact SG-SG 2.01Å; C36-C129 PolarHBondContact SG-SG 3Å; A58-C129 HydrophobicContact CB-CB 4.17Å; G61-C129 CarbonylContact C-O 3.47Å; G61-C129 VanDerWaalsContact CA-O 3.24Å; G61-C129 WeakPolarHBondContact CA-O 3.16Å; G61-C129 PolarHBondContact N-O 2.83Å; E62-C129 PolarHBondContact O-N 2.69Å; L86-C129 HydrophobicContact CD1-CB 3.81Å
130	V	97.9	Very high	98.1	Very high	48 Å²	48	30.8 Å²	30.8	29%	0.291	17%	0.166	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	134.5	-179.2	61.7	0	0	0	0	110.6	C84 S85 Y128	C84-V130 CarbonylContact C-O 3.41Å; C84-V130 WeakPolarHBondContact CA-O 3.37Å; S85-V130 PolarHBondContact N-O 2.94Å; S85-V130 PolarHBondContact O-N 3.09Å; S85-V130 WeakPolarHBondContact OG-CG1 3.06Å; Y128-V130 HydrophobicContact CE1-CB 4.21Å; Y128-V130 HydrophobicContact CE1-CG1 4.45Å
131	C	95.2	Very high	98	Very high	89 Å²	89	33.4 Å²	33.4	60%	0.601	18%	0.18	S	C	*	.			trans	-123.6	0	164.3	-45	0	0	0	0	106.3	P60 C84	P60-C131 HydrophobicContact CB-CB 4.44Å; C84-C131 HydrophobicContact CB-CB 4.04Å; C84-C131 WeakPolarHBondContact CB-SG 3.39Å; C84-C131 WeakPolarHBondContact SG-CB 3.2Å; C84-C131 CovalentContact SG-SG 2.03Å; C84-C131 PolarHBondContact SG-SG 2.66Å

Retrieved 131 of 131 residues in 34.2 ms (Link to these results)

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