X5J533_MOUSE Loading...

IgG1 heavy chain VDJ region

AlphaFold DB , UniProt , Accession X5J533, Species MOUSE (Mus musculus, Mouse), Gene n/a, Length 113 aa.

						>X5J533_MOUSE|X5J533
PELVKPGASVKMSCKASGYTFTDYNMHWVKQSHGKSLEWIGYINPNNGGTSYNQKFKGKATLTVNKSSSTAYMELRSLTSEDSAVYYCARRGYYDYDEGFAYWGQGTLVTVSA
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	P	77.5	Confident	93.7	Very high	137 Å²	137	81.5 Å²	81.5	89%	0.89	47%	0.47	S	S	*	.				0	131	0	15.4	-32.5	0	0	0	107.6	L108	P1-L108 CarbonylContact C-O 3.59Å; P1-L108 WeakPolarHBondContact CA-O 3.27Å; P1-L108 HydrophobicContact CB-CB 4.25Å; P1-L108 HydrophobicContact CB-CD2 4.41Å
2	E	88.8	Confident	93.9	Very high	96 Å²	96	75.5 Å²	75.5	45%	0.449	44%	0.435	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	120.9	-176.3	-67.3	-65.3	159.2	0	0	109.2	V10 T107 L108 V109 T110	E2-V10 HydrophobicContact CB-CG2 4.21Å; E2-V10 HydrophobicContact CG-CG2 4.04Å; E2-T107 HydrophobicContact CG-CG2 4.36Å; E2-L108 PolarHBondContact N-O 3.28Å; E2-V109 HydrophobicContact CB-CG2 4.31Å; E2-V109 CarbonylContact O-C 3.49Å; E2-V109 WeakPolarHBondContact O-CA 3.24Å; E2-T110 PolarHBondContact O-N 3.36Å
3	L	94.3	Very high	94.2	Very high	126 Å²	126	75.4 Å²	75.4	66%	0.66	44%	0.441	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-103.5	118.5	173.7	-178.4	65.1	0	0	0	108.7	T110 S112	L3-T110 WeakPolarHBondContact CA-O 3.41Å; L3-T110 HydrophobicContact CD1-CG2 3.8Å; L3-S112 WeakPolarHBondContact CD1-OG 3.31Å
4	V	95.4	Very high	94.4	Very high	24 Å²	24	71.1 Å²	71.1	15%	0.145	42%	0.417	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	154.2	-174.3	-61.4	0	0	0	0	111.4	A8 L78 V109 T110 V111 S112	V4-A8 HydrophobicContact CB-CB 4.23Å; V4-L78 HydrophobicContact CG2-CD1 3.61Å; V4-V109 HydrophobicContact CG2-CG1 4.19Å; V4-T110 PolarHBondContact N-O 2.88Å; V4-V111 HydrophobicContact CG2-CB 4.46Å; V4-V111 HydrophobicContact CG2-CG2 3.87Å; V4-V111 WeakPolarHBondContact O-CA 3.16Å; V4-S112 PolarHBondContact O-N 2.64Å; V4-S112 VanDerWaalsContact O-N 3.11Å
5	K	95.8	Very high	94.6	Very high	145 Å²	145	76.9 Å²	76.9	63%	0.63	44%	0.435	S	S	*	.			trans	-80.5	153	176	-65.2	-174.4	178.6	-175.3	0	111.2	G7 A8	K5-G7 PolarHBondContact O-N 3.11Å; K5-A8 WeakPolarHBondContact O-CB 3.35Å; K5-A8 PolarHBondContact O-N 2.99Å; K5-A8 VanDerWaalsContact O-N 3.14Å
6	P	96.8	Very high	94.6	Very high	75 Å²	75	72.8 Å²	72.8	49%	0.487	41%	0.414	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.3	140.4	168.9	-25.3	34	0	0	0	111.9	A8 L78 V111 S112	P6-A8 VanDerWaalsContact C-N 3.26Å; P6-A8 PolarHBondContact O-N 3.22Å; P6-L78 CarbonylContact C-O 3.57Å; P6-L78 WeakPolarHBondContact CA-O 3.38Å; P6-V111 HydrophobicContact CB-CG1 4.44Å; P6-V111 HydrophobicContact CG-CG1 4.17Å; P6-S112 WeakPolarHBondContact CD-O 3.24Å
7	G	95.4	Very high	94.4	Very high	52 Å²	52	74.5 Å²	74.5	54%	0.536	43%	0.431	S	S	.	.	T	Hydrogen-bonded Turn	trans	84.6	-14.4	-176.3	0	0	0	0	0	114.7	K5 L78	K5-G7 PolarHBondContact O-N 3.11Å; G7-L78 PolarHBondContact N-O 2.86Å
8	A	96.3	Very high	94.3	Very high	34 Å²	34	75.4 Å²	75.4	28%	0.281	46%	0.459	S	S	.	.			trans	-68.7	166.7	177.5	0	0	0	0	0	112.5	V4 K5 P6 S77 L78	V4-A8 HydrophobicContact CB-CB 4.23Å; K5-A8 WeakPolarHBondContact O-CB 3.35Å; K5-A8 PolarHBondContact O-N 2.99Å; K5-A8 VanDerWaalsContact O-N 3.14Å; P6-A8 VanDerWaalsContact C-N 3.26Å; P6-A8 PolarHBondContact O-N 3.22Å; A8-S77 PolarHBondContact O-N 3.02Å; A8-L78 WeakPolarHBondContact O-CB 3.44Å; A8-L78 WeakPolarHBondContact O-CG 3.25Å; A8-L78 PolarHBondContact O-N 2.94Å
9	S	96.8	Very high	94	Very high	63 Å²	63	74.6 Å²	74.6	44%	0.441	45%	0.447	S	S	.	.			trans	-113.7	146	170.1	-58.2	0	0	0	0	109.9	L75 R76	S9-L75 CarbonylContact C-O 3.55Å; S9-L75 WeakPolarHBondContact CA-O 3.47Å; S9-L75 WeakPolarHBondContact CB-O 3.34Å; S9-R76 WeakPolarHBondContact OG-CA 3.17Å
10	V	96.8	Very high	94	Very high	12 Å²	12	74.9 Å²	74.9	7%	0.073	45%	0.449	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	137.8	173.5	74.2	0	0	0	0	109.8	E2 M12 E74 L75 L78 V109	E2-V10 HydrophobicContact CB-CG2 4.21Å; E2-V10 HydrophobicContact CG-CG2 4.04Å; V10-M12 HydrophobicContact CG1-CE 4.08Å; V10-E74 CarbonylContact O-C 3.51Å; V10-E74 WeakPolarHBondContact O-CA 3.49Å; V10-L75 HydrophobicContact CG1-CB 4.17Å; V10-L75 HydrophobicContact CG1-CD1 4.34Å; V10-L75 PolarHBondContact N-O 2.79Å; V10-L75 PolarHBondContact O-N 2.03Å; V10-L78 HydrophobicContact CB-CD1 4.08Å; V10-L78 HydrophobicContact CG1-CD1 3.84Å; V10-V109 HydrophobicContact CG1-CG1 4.33Å; V10-V109 HydrophobicContact CG1-CG2 4.29Å
11	K	97.2	Very high	94	Very high	132 Å²	132	71.7 Å²	71.7	57%	0.574	43%	0.43	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-114.5	117.9	175	-174.3	177.3	-178.6	176.6	0	109.5	M73 E74	K11-M73 WeakPolarHBondContact CA-O 3.44Å; K11-E74 HydrophobicContact CB-CG 4.48Å
12	M	96.3	Very high	94.8	Very high	10 Å²	10	67.3 Å²	67.3	5%	0.049	40%	0.401	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	153.5	176.9	60.2	-171.3	79.9	0	0	111.2	V10 W28 Y72 M73 L75 Y86 V109	V10-M12 HydrophobicContact CG1-CE 4.08Å; M12-W28 HydrophobicContact CB-CZ3 4.5Å; M12-W28 HydrophobicContact CG-CE3 4.35Å; M12-W28 HydrophobicContact CG-CH2 3.79Å; M12-W28 HydrophobicContact CG-CZ3 3.53Å; M12-W28 HydrophobicContact SD-CE3 4.05Å; M12-W28 HydrophobicContact SD-CH2 4.43Å; M12-W28 HydrophobicContact SD-CZ3 3.58Å; M12-W28 VanDerWaalsContact SD-CZ3 3.58Å; M12-Y72 CarbonylContact O-C 3.51Å; M12-Y72 WeakPolarHBondContact O-CA 3.4Å; M12-Y72 WeakPolarHBondContact O-CB 3.49Å; M12-M73 HydrophobicContact CE-CE 3.59Å; M12-M73 HydrophobicContact CG-CB 3.94Å; M12-M73 HydrophobicContact CG-CE 4.08Å; M12-M73 WeakPolarHBondContact CG-O 3.23Å; M12-M73 PolarHBondContact N-O 3.09Å; M12-M73 PolarHBondContact O-N 3Å; M12-M73 HydrophobicContact SD-CE 3.23Å; M12-M73 WeakPolarHBondContact SD-CE 3.47Å; M12-L75 HydrophobicContact CE-CD1 3.8Å; M12-L75 HydrophobicContact CE-CG 4.46Å; M12-Y86 HydrophobicContact CE-CD1 4.35Å; M12-Y86 HydrophobicContact CE-CD2 4.07Å; M12-Y86 HydrophobicContact CE-CG 3.84Å; M12-Y86 VanDerWaalsContact SD-CB 3.5Å; M12-Y86 HydrophobicContact SD-CG 4.09Å; M12-V109 HydrophobicContact CE-CG2 4.05Å
13	S	97.3	Very high	95	Very high	74 Å²	74	67.9 Å²	67.9	52%	0.517	41%	0.407	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	150.7	-178	66.4	0	0	0	0	111.2	A71 Y72	S13-A71 CarbonylContact C-O 3.55Å; S13-A71 WeakPolarHBondContact CA-O 3.3Å; S13-Y72 VanDerWaalsContact CB-CD1 3.47Å; S13-Y72 VanDerWaalsContact CB-CE1 3.42Å
14	C	97.3	Very high	94.9	Very high	15 Å²	15	63.9 Å²	63.9	10%	0.101	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	108.8	172.4	-180	0	0	0	0	108.5	W28 T70 A71 C88	C14-W28 HydrophobicContact CB-CH2 3.78Å; C14-W28 HydrophobicContact CB-CZ2 3.98Å; C14-T70 WeakPolarHBondContact O-CA 3.45Å; C14-A71 PolarHBondContact N-O 3.25Å; C14-A71 PolarHBondContact O-N 2.91Å; C14-C88 HydrophobicContact CB-CB 3.42Å; C14-C88 VanDerWaalsContact CB-CB 3.42Å; C14-C88 WeakPolarHBondContact CB-SG 3.43Å; C14-C88 WeakPolarHBondContact SG-CB 3.46Å; C14-C88 CovalentContact SG-SG 2.03Å; C14-C88 PolarHBondContact SG-SG 2.8Å
15	K	96.8	Very high	94.8	Very high	158 Å²	158	65.2 Å²	65.2	69%	0.687	39%	0.39	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-90.4	122.7	179.8	-173.5	175.8	-177.2	-177.6	0	109.7
16	A	94.3	Very high	94.9	Very high	12 Å²	12	58.6 Å²	58.6	10%	0.099	36%	0.361	C	S	.	.			trans	-74.8	147.7	174.7	0	0	0	0	0	111.3	Y19 F21 S69	A16-Y19 HydrophobicContact CB-CE1 3.78Å; A16-Y19 HydrophobicContact CB-CE2 4.34Å; A16-Y19 VanDerWaalsContact CB-OH 3.26Å; A16-Y19 WeakPolarHBondContact CB-OH 3.27Å; A16-F21 HydrophobicContact CB-CB 4.13Å; A16-F21 HydrophobicContact CB-CD2 3.3Å; A16-F21 HydrophobicContact CB-CE2 3.92Å; A16-F21 HydrophobicContact CB-CG 3.95Å; A16-S69 PolarHBondContact N-O 3.11Å
17	S	92.7	Very high	94.9	Very high	101 Å²	101	55.6 Å²	55.6	71%	0.706	34%	0.34	S	S	*	.			trans	-150.4	148.9	174.8	62.6	0	0	0	0	110.1	Y19	S17-Y19 VanDerWaalsContact O-CD1 3.25Å; S17-Y19 WeakPolarHBondContact O-CD1 3.43Å; S17-Y19 PolarHBondContact O-N 2.82Å
18	G	91.1	Very high	95	Very high	91 Å²	91	53.3 Å²	53.3	94%	0.938	32%	0.316	S	S	*	.	S	Bend	trans	78.4	8.9	176	0	0	0	0	0	116.1
19	Y	90.2	Very high	95.1	Very high	60 Å²	60	51.8 Å²	51.8	24%	0.235	30%	0.303	C	S	.	.	S	Bend	trans	-156.7	164.6	174.3	67.7	-82.3	0	0	0	111.5	A16 S17 F21 Y24	A16-Y19 HydrophobicContact CB-CE1 3.78Å; A16-Y19 HydrophobicContact CB-CE2 4.34Å; A16-Y19 VanDerWaalsContact CB-OH 3.26Å; A16-Y19 WeakPolarHBondContact CB-OH 3.27Å; S17-Y19 VanDerWaalsContact O-CD1 3.25Å; S17-Y19 WeakPolarHBondContact O-CD1 3.43Å; S17-Y19 PolarHBondContact O-N 2.82Å; Y19-F21 HydrophobicContact CE2-CD2 4.43Å; Y19-F21 PolarHBondContact O-N 2.74Å; Y19-F21 VanDerWaalsContact O-N 3.16Å; Y19-Y24 AromaticContact CD2-CD2 3.59Å; Y19-Y24 HydrophobicContact CD2-CD2 3.59Å; Y19-Y24 HydrophobicContact CD2-CE2 4Å; Y19-Y24 HydrophobicContact CD2-CG 4.48Å; Y19-Y24 AromaticContact CE2-CD2 3.89Å; Y19-Y24 HydrophobicContact CE2-CD2 3.89Å; Y19-Y24 HydrophobicContact CE2-CG 4.42Å
20	T	93.6	Very high	95.1	Very high	80 Å²	80	49.4 Å²	49.4	49%	0.491	28%	0.284	S	S	.	.			trans	-69.3	107.4	171.5	-56.1	0	0	0	0	109.7	T22 D23	T20-T22 WeakPolarHBondContact CG2-OG1 3.46Å; T20-T22 PolarHBondContact O-N 2.78Å; T20-T22 VanDerWaalsContact O-N 3.09Å; T20-D23 VanDerWaalsContact CB-OD2 3.24Å; T20-D23 WeakPolarHBondContact CB-OD2 3.5Å; T20-D23 WeakPolarHBondContact CG2-OD1 3.43Å; T20-D23 WeakPolarHBondContact O-CB 3.33Å; T20-D23 PolarHBondContact O-N 2.81Å
21	F	94.1	Very high	95.1	Very high	8 Å²	8	52.2 Å²	52.2	4%	0.035	30%	0.297	C	S	.	.	G	3₁₀ helix	trans	-56.6	-31.9	-171.2	178	-129.8	0	0	0	114.3	A16 Y19 D23 M26 P45 V64 S69 A71	A16-F21 HydrophobicContact CB-CB 4.13Å; A16-F21 HydrophobicContact CB-CD2 3.3Å; A16-F21 HydrophobicContact CB-CE2 3.92Å; A16-F21 HydrophobicContact CB-CG 3.95Å; Y19-F21 HydrophobicContact CE2-CD2 4.43Å; Y19-F21 PolarHBondContact O-N 2.74Å; Y19-F21 VanDerWaalsContact O-N 3.16Å; F21-D23 VanDerWaalsContact C-N 3.28Å; F21-D23 PolarHBondContact O-N 3.21Å; F21-M26 HydrophobicContact CE2-CE 3.87Å; F21-P45 HydrophobicContact CD1-CB 3.88Å; F21-P45 HydrophobicContact CD1-CG 4.43Å; F21-P45 HydrophobicContact CD2-CB 4.41Å; F21-P45 HydrophobicContact CD2-CG 4.13Å; F21-P45 HydrophobicContact CE1-CB 3.71Å; F21-P45 HydrophobicContact CE1-CG 4.12Å; F21-P45 HydrophobicContact CE2-CB 4.22Å; F21-P45 HydrophobicContact CE2-CG 3.74Å; F21-P45 HydrophobicContact CG-CB 4.27Å; F21-P45 HydrophobicContact CG-CG 4.48Å; F21-P45 HydrophobicContact CZ-CB 3.87Å; F21-P45 HydrophobicContact CZ-CG 3.74Å; F21-P45 WeakPolarHBondContact O-CG 3.37Å; F21-V64 HydrophobicContact CD1-CG2 4.41Å; F21-V64 HydrophobicContact CE1-CG2 3.23Å; F21-V64 HydrophobicContact CZ-CG2 3.5Å; F21-S69 VanDerWaalsContact CD1-CA 3.41Å; F21-S69 VanDerWaalsContact CE1-C 3.5Å; F21-A71 HydrophobicContact CZ-CB 4.06Å
22	T	94.7	Very high	95	Very high	45 Å²	45	46.4 Å²	46.4	28%	0.276	27%	0.273	S	S	.	.	G	3₁₀ helix	trans	-73.4	-14.6	-179.7	49	0	0	0	0	114.7	T20 Y24 N46	T20-T22 WeakPolarHBondContact CG2-OG1 3.46Å; T20-T22 PolarHBondContact O-N 2.78Å; T20-T22 VanDerWaalsContact O-N 3.09Å; T22-Y24 VanDerWaalsContact C-N 3.26Å; T22-Y24 PolarHBondContact O-N 2.89Å; T22-N46 WeakPolarHBondContact O-CB 3.43Å
23	D	92.1	Very high	94.8	Very high	108 Å²	108	55.1 Å²	55.1	58%	0.578	31%	0.313	S	S	*	.	G	3₁₀ helix	trans	-82	-8.5	-173.4	-64.8	-1.8	0	0	0	112.5	T20 F21	T20-D23 VanDerWaalsContact CB-OD2 3.24Å; T20-D23 WeakPolarHBondContact CB-OD2 3.5Å; T20-D23 WeakPolarHBondContact CG2-OD1 3.43Å; T20-D23 WeakPolarHBondContact O-CB 3.33Å; T20-D23 PolarHBondContact O-N 2.81Å; F21-D23 VanDerWaalsContact C-N 3.28Å; F21-D23 PolarHBondContact O-N 3.21Å
24	Y	91.4	Very high	94.4	Very high	43 Å²	43	55.7 Å²	55.7	17%	0.169	33%	0.33	C	S	.	.	S	Bend	trans	-140.7	144.1	-172.4	-59.3	-97.7	0	0	0	112.9	Y19 T22 P45 R90 Y93	Y19-Y24 AromaticContact CD2-CD2 3.59Å; Y19-Y24 HydrophobicContact CD2-CD2 3.59Å; Y19-Y24 HydrophobicContact CD2-CE2 4Å; Y19-Y24 HydrophobicContact CD2-CG 4.48Å; Y19-Y24 AromaticContact CE2-CD2 3.89Å; Y19-Y24 HydrophobicContact CE2-CD2 3.89Å; Y19-Y24 HydrophobicContact CE2-CG 4.42Å; T22-Y24 VanDerWaalsContact C-N 3.26Å; T22-Y24 PolarHBondContact O-N 2.89Å; Y24-P45 WeakPolarHBondContact O-CD 3.44Å; Y24-P45 WeakPolarHBondContact O-CG 3.35Å; Y24-R90 VanDerWaalsContact CB-CD 3.48Å; Y24-R90 HydrophobicContact CD1-CG 4.15Å; Y24-R90 HydrophobicContact CG-CG 4.08Å; Y24-Y93 HydrophobicContact CE1-CD2 4.27Å; Y24-Y93 AromaticContact CZ-CD2 3.89Å; Y24-Y93 WeakPolarHBondContact OH-CB 3.4Å; Y24-Y93 WeakPolarHBondContact OH-CD2 3.34Å
25	N	94.4	Very high	94.1	Very high	52 Å²	52	61.4 Å²	61.4	28%	0.278	35%	0.354	S	S	.	.	P	Polyproline II helix	trans	-67	138.4	169.8	-62.8	-37	0	0	0	110.8	Y42 N44	N25-Y42 HydrophobicContact CB-CD2 3.82Å; N25-Y42 HydrophobicContact CB-CE2 4.47Å; N25-Y42 HydrophobicContact CB-CG 4.23Å; N25-N44 VanDerWaalsContact OD1-CA 3.31Å; N25-N44 WeakPolarHBondContact OD1-CA 3.38Å; N25-N44 WeakPolarHBondContact OD1-CB 3.41Å; N25-N44 PolarHBondContact OD1-ND2 2.9Å
26	M	96.7	Very high	93.8	Very high	5 Å²	5	58.3 Å²	58.3	3%	0.025	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	117.5	168.3	-173.7	65.1	68.6	0	0	109.1	F21 Y42 I43 A71 C88	F21-M26 HydrophobicContact CE2-CE 3.87Å; M26-Y42 CarbonylContact O-C 3.49Å; M26-Y42 WeakPolarHBondContact O-CA 3.4Å; M26-Y42 WeakPolarHBondContact O-CB 3.33Å; M26-I43 HydrophobicContact CB-CG2 4.11Å; M26-I43 PolarHBondContact N-O 3.39Å; M26-I43 PolarHBondContact O-N 3.14Å; M26-A71 HydrophobicContact CB-CB 3.96Å; M26-A71 HydrophobicContact CG-CB 3.62Å; M26-C88 HydrophobicContact CG-CB 4.39Å; M26-C88 HydrophobicContact SD-CB 3.76Å
27	H	97.1	Very high	93.8	Very high	13 Å²	13	61.9 Å²	61.9	6%	0.06	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	151.2	178.3	-64.9	-107.6	0	0	0	110.6	W39 G41 Y42 C88 A89 F100	H27-W39 AromaticContact CG-NE1 4Å; H27-W39 AromaticContact ND1-NE1 3.25Å; H27-W39 PolarHBondContact ND1-NE1 2.94Å; H27-G41 WeakPolarHBondContact CA-O 3.17Å; H27-Y42 AromaticContact CE1-CD1 3.93Å; H27-C88 CarbonylContact O-C 3.57Å; H27-C88 WeakPolarHBondContact O-CA 3.34Å; H27-A89 HydrophobicContact CB-CB 4.5Å; H27-A89 WeakPolarHBondContact CB-O 3.16Å; H27-A89 PolarHBondContact N-O 2.83Å; H27-A89 PolarHBondContact O-N 3.38Å; H27-F100 HydrophobicContact CB-CD1 4.38Å; H27-F100 HydrophobicContact CB-CE1 3.63Å; H27-F100 HydrophobicContact CB-CZ 3.76Å; H27-F100 AromaticContact CD2-CE1 3.6Å; H27-F100 AromaticContact CE1-CE1 3.78Å; H27-F100 AromaticContact CG-CE1 3.25Å; H27-F100 AromaticContact CG-CZ 3.65Å; H27-F100 AromaticContact ND1-CE1 3.36Å; H27-F100 WeakPolarHBondContact ND1-CE1 3.35Å; H27-F100 AromaticContact ND1-CZ 3.49Å; H27-F100 WeakPolarHBondContact ND1-CZ 3.4Å; H27-F100 AromaticContact NE2-CE1 3.93Å
28	W	97.9	Very high	94	Very high	4 Å²	4	58.9 Å²	58.9	2%	0.015	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	138.4	173.9	-67.6	89.7	0	0	0	110.2	M12 C14 I40 G41 L62 A71 M73 Y87 C88	M12-W28 HydrophobicContact CB-CZ3 4.5Å; M12-W28 HydrophobicContact CG-CE3 4.35Å; M12-W28 HydrophobicContact CG-CH2 3.79Å; M12-W28 HydrophobicContact CG-CZ3 3.53Å; M12-W28 HydrophobicContact SD-CE3 4.05Å; M12-W28 HydrophobicContact SD-CH2 4.43Å; M12-W28 HydrophobicContact SD-CZ3 3.58Å; M12-W28 VanDerWaalsContact SD-CZ3 3.58Å; C14-W28 HydrophobicContact CB-CH2 3.78Å; C14-W28 HydrophobicContact CB-CZ2 3.98Å; W28-I40 HydrophobicContact CB-CB 4.14Å; W28-I40 HydrophobicContact CB-CD1 4.27Å; W28-I40 WeakPolarHBondContact O-CB 3.14Å; W28-I40 PolarHBondContact O-N 3.02Å; W28-G41 PolarHBondContact N-O 2.9Å; W28-L62 HydrophobicContact CG-CD2 4.07Å; W28-A71 HydrophobicContact CZ2-CB 4.34Å; W28-M73 HydrophobicContact CB-SD 3.92Å; W28-M73 HydrophobicContact CD2-CB 3.68Å; W28-M73 HydrophobicContact CD2-CE 4.27Å; W28-M73 HydrophobicContact CD2-SD 4.18Å; W28-M73 HydrophobicContact CE3-CB 3.93Å; W28-M73 HydrophobicContact CE3-CE 3.78Å; W28-M73 HydrophobicContact CE3-SD 4.29Å; W28-M73 HydrophobicContact CG-CB 4.19Å; W28-M73 HydrophobicContact CG-SD 4.05Å; W28-M73 HydrophobicContact CH2-CB 4.13Å; W28-M73 HydrophobicContact CZ2-CB 3.9Å; W28-M73 HydrophobicContact CZ3-CB 4.15Å; W28-M73 HydrophobicContact CZ3-CE 4.38Å; W28-Y87 CarbonylContact C-O 3.59Å; W28-Y87 WeakPolarHBondContact CA-O 3.42Å; W28-C88 HydrophobicContact CD2-CB 4.41Å; W28-C88 HydrophobicContact CE3-CB 4.19Å; W28-C88 HydrophobicContact CH2-CB 4.3Å; W28-C88 HydrophobicContact CZ2-CB 4.49Å; W28-C88 HydrophobicContact CZ3-CB 4.13Å
29	V	97.7	Very high	94.2	Very high	2 Å²	2	58.1 Å²	58.1	1%	0.012	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	138	-173.6	-176.3	0	0	0	0	109.3	L37 E38 Y86 Y87 F100 W103	V29-L37 HydrophobicContact CG1-CB 3.83Å; V29-L37 HydrophobicContact CG1-CD2 3.91Å; V29-L37 HydrophobicContact CG1-CG 4.37Å; V29-E38 CarbonylContact C-O 3.53Å; V29-E38 WeakPolarHBondContact CA-O 3.5Å; V29-E38 WeakPolarHBondContact CG1-O 3.42Å; V29-Y86 WeakPolarHBondContact O-CA 3.41Å; V29-Y87 PolarHBondContact N-O 2.8Å; V29-Y87 PolarHBondContact O-N 2.91Å; V29-F100 HydrophobicContact CG2-CD2 4.49Å; V29-F100 HydrophobicContact CG2-CE2 4.03Å; V29-W103 HydrophobicContact CB-CH2 4.17Å; V29-W103 HydrophobicContact CB-CZ3 3.84Å; V29-W103 HydrophobicContact CG1-CH2 4.07Å; V29-W103 HydrophobicContact CG1-CZ3 4.04Å; V29-W103 HydrophobicContact CG2-CH2 3.85Å; V29-W103 HydrophobicContact CG2-CZ3 3.85Å
30	K	97.4	Very high	94.6	Very high	12 Å²	12	55.2 Å²	55.2	5%	0.052	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	136.1	174.2	-176.8	-176.9	-178.9	-173.1	0	109.6	S32 E38 I40 F56 E81 D82 A84 Y86	K30-S32 WeakPolarHBondContact CE-OG 3.18Å; K30-E38 HydrophobicContact CB-CB 4.42Å; K30-E38 PolarHBondContact N-O 2.8Å; K30-E38 PolarHBondContact O-N 2.93Å; K30-I40 HydrophobicContact CB-CD1 4.03Å; K30-I40 HydrophobicContact CB-CG1 4.17Å; K30-F56 HydrophobicContact CB-CZ 4.26Å; K30-F56 HydrophobicContact CD-CE1 3.97Å; K30-F56 HydrophobicContact CD-CZ 3.86Å; K30-E81 PolarHBondContact NZ-O 2.89Å; K30-D82 IonicContact NZ-OD1 3.75Å; K30-A84 HydrophobicContact CD-CB 4.15Å; K30-A84 VanDerWaalsContact CE-CB 3.5Å; K30-A84 HydrophobicContact CG-CB 3.53Å; K30-Y86 HydrophobicContact CB-CD1 4.11Å; K30-Y86 HydrophobicContact CB-CE1 3.86Å; K30-Y86 HydrophobicContact CD-CE1 4Å; K30-Y86 HydrophobicContact CG-CD1 4.24Å; K30-Y86 HydrophobicContact CG-CE1 3.68Å
31	Q	97.4	Very high	94.7	Very high	71 Å²	71	51.4 Å²	51.4	33%	0.332	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	103.7	167.2	-164.8	179.3	24	0	0	109.7	L37 A84 V85 Y87	Q31-L37 HydrophobicContact CB-CD2 3.72Å; Q31-L37 HydrophobicContact CG-CD2 3.82Å; Q31-A84 WeakPolarHBondContact O-CA 3.02Å; Q31-A84 VanDerWaalsContact O-CB 3.27Å; Q31-A84 WeakPolarHBondContact O-CB 3.31Å; Q31-V85 PolarHBondContact N-O 2.88Å; Q31-V85 PolarHBondContact O-N 3.18Å; Q31-Y87 HydrophobicContact CB-CD2 4.39Å; Q31-Y87 HydrophobicContact CB-CE2 3.76Å; Q31-Y87 PolarHBondContact OE1-OH 2.92Å
32	S	95.1	Very high	94.9	Very high	10 Å²	10	54.5 Å²	54.5	7%	0.07	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	151.5	173.6	-48.5	0	0	0	0	109.9	K30 G34 K35	K30-S32 WeakPolarHBondContact CE-OG 3.18Å; S32-G34 PolarHBondContact O-N 2.94Å; S32-K35 PolarHBondContact O-N 2.94Å
33	H	90.7	Very high	95	Very high	194 Å²	194	52.6 Å²	52.6	90%	0.898	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.8	124.9	-179.1	-168.4	-115.5	0	0	0	111.7	K35	H33-K35 PolarHBondContact O-N 2.8Å
34	G	89.4	Confident	95.2	Very high	85 Å²	85	49.1 Å²	49.1	88%	0.876	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	68.8	10.8	-178.4	0	0	0	0	0	115.8	S32	S32-G34 PolarHBondContact O-N 2.94Å
35	K	90.7	Very high	95.4	Very high	136 Å²	136	47.1 Å²	47.1	59%	0.591	25%	0.251	S	S	*	.	S	Bend	trans	-114.5	162.3	179.3	-59.1	-167.3	-176.9	175.6	0	112.2	S32 H33	S32-K35 PolarHBondContact O-N 2.94Å; H33-K35 PolarHBondContact O-N 2.8Å
36	S	90.9	Very high	95.5	Very high	93 Å²	93	49.1 Å²	49.1	65%	0.65	26%	0.262	S	S	*	.			trans	-64.9	163.8	171.2	60.4	0	0	0	0	111.9
37	L	94.6	Very high	95.5	Very high	87 Å²	87	54.4 Å²	54.4	46%	0.455	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.5	132.8	172.3	-65.6	171.1	0	0	0	110.6	V29 Q31 W103	V29-L37 HydrophobicContact CG1-CB 3.83Å; V29-L37 HydrophobicContact CG1-CD2 3.91Å; V29-L37 HydrophobicContact CG1-CG 4.37Å; Q31-L37 HydrophobicContact CB-CD2 3.72Å; Q31-L37 HydrophobicContact CG-CD2 3.82Å; L37-W103 HydrophobicContact CD1-CH2 3.86Å; L37-W103 HydrophobicContact CD1-CZ2 4.34Å
38	E	95.9	Very high	95.4	Very high	37 Å²	37	55.4 Å²	55.4	17%	0.173	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	115.3	176.3	-69.2	-173.2	-89.2	0	0	109.6	V29 K30 I40 K55 F56	V29-E38 CarbonylContact C-O 3.53Å; V29-E38 WeakPolarHBondContact CA-O 3.5Å; V29-E38 WeakPolarHBondContact CG1-O 3.42Å; K30-E38 HydrophobicContact CB-CB 4.42Å; K30-E38 PolarHBondContact N-O 2.8Å; K30-E38 PolarHBondContact O-N 2.93Å; E38-I40 PolarHBondContact O-N 2.83Å; E38-K55 IonicContact OE2-NZ 2.78Å; E38-K55 PolarHBondContact OE2-NZ 3.12Å; E38-F56 HydrophobicContact CB-CE2 4.47Å
39	W	96.3	Very high	95.3	Very high	75 Å²	75	56.8 Å²	56.8	28%	0.284	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.5	127	175.1	-179.4	70.8	0	0	0	110.7	H27 G41 Y42 N53 F100	H27-W39 AromaticContact CG-NE1 4Å; H27-W39 AromaticContact ND1-NE1 3.25Å; H27-W39 PolarHBondContact ND1-NE1 2.94Å; W39-G41 VanDerWaalsContact CE2-C 3.46Å; W39-G41 VanDerWaalsContact CE2-CA 3.48Å; W39-G41 PolarHBondContact NE1-O 2.77Å; W39-Y42 HydrophobicContact CH2-CD1 4.32Å; W39-Y42 AromaticContact CZ2-CD1 3.74Å; W39-Y42 HydrophobicContact CZ2-CD1 3.74Å; W39-Y42 HydrophobicContact CZ2-CG 4.45Å; W39-N53 HydrophobicContact CE3-CB 3.97Å; W39-N53 HydrophobicContact CZ3-CB 4.15Å; W39-N53 WeakPolarHBondContact O-CB 3.01Å; W39-N53 PolarHBondContact O-ND2 3.4Å; W39-F100 AromaticContact CD1-CZ 3.9Å
40	I	97.6	Very high	95.3	Very high	0 Å²	0	59.7 Å²	59.7	0%	0	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90	-49.3	-178.2	-61.3	175.1	0	0	0	110.3	W28 K30 E38 Y52 N53 F56 A60 M73 Y86	W28-I40 HydrophobicContact CB-CB 4.14Å; W28-I40 HydrophobicContact CB-CD1 4.27Å; W28-I40 WeakPolarHBondContact O-CB 3.14Å; W28-I40 PolarHBondContact O-N 3.02Å; K30-I40 HydrophobicContact CB-CD1 4.03Å; K30-I40 HydrophobicContact CB-CG1 4.17Å; E38-I40 PolarHBondContact O-N 2.83Å; I40-Y52 WeakPolarHBondContact O-CA 3.5Å; I40-N53 PolarHBondContact O-N 2.92Å; I40-F56 HydrophobicContact CB-CD2 4.23Å; I40-F56 HydrophobicContact CB-CG 4.23Å; I40-F56 HydrophobicContact CD1-CE1 4.49Å; I40-F56 HydrophobicContact CG1-CD1 4.16Å; I40-F56 HydrophobicContact CG1-CD2 4.15Å; I40-F56 HydrophobicContact CG1-CE1 4.05Å; I40-F56 HydrophobicContact CG1-CE2 4.02Å; I40-F56 HydrophobicContact CG1-CG 4.2Å; I40-F56 HydrophobicContact CG1-CZ 3.98Å; I40-F56 HydrophobicContact CG2-CB 3.76Å; I40-F56 HydrophobicContact CG2-CD1 4.09Å; I40-F56 HydrophobicContact CG2-CD2 4.25Å; I40-F56 HydrophobicContact CG2-CG 3.78Å; I40-A60 HydrophobicContact CG2-CB 3.84Å; I40-M73 HydrophobicContact CD1-CE 3.8Å; I40-M73 HydrophobicContact CD1-SD 3.67Å; I40-M73 HydrophobicContact CG2-SD 3.92Å; I40-Y86 HydrophobicContact CD1-CD1 3.71Å; I40-Y86 HydrophobicContact CD1-CE1 3.85Å
41	G	96.9	Very high	95.3	Very high	0 Å²	0	61.3 Å²	61.3	0%	0	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	170.4	176.7	-168.1	0	0	0	0	0	112.5	H27 W28 W39 S51	H27-G41 WeakPolarHBondContact CA-O 3.17Å; W28-G41 PolarHBondContact N-O 2.9Å; W39-G41 VanDerWaalsContact CE2-C 3.46Å; W39-G41 VanDerWaalsContact CE2-CA 3.48Å; W39-G41 PolarHBondContact NE1-O 2.77Å; G41-S51 CarbonylContact C-O 3.45Å; G41-S51 WeakPolarHBondContact CA-O 3.5Å
42	Y	97.3	Very high	95.3	Very high	73 Å²	73	60.6 Å²	60.6	29%	0.286	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	156.6	167.9	78.5	-104.3	0	0	0	110.9	N25 M26 H27 W39 T50 S51 L62	N25-Y42 HydrophobicContact CB-CD2 3.82Å; N25-Y42 HydrophobicContact CB-CE2 4.47Å; N25-Y42 HydrophobicContact CB-CG 4.23Å; M26-Y42 CarbonylContact O-C 3.49Å; M26-Y42 WeakPolarHBondContact O-CA 3.4Å; M26-Y42 WeakPolarHBondContact O-CB 3.33Å; H27-Y42 AromaticContact CE1-CD1 3.93Å; W39-Y42 HydrophobicContact CH2-CD1 4.32Å; W39-Y42 AromaticContact CZ2-CD1 3.74Å; W39-Y42 HydrophobicContact CZ2-CD1 3.74Å; W39-Y42 HydrophobicContact CZ2-CG 4.45Å; Y42-T50 VanDerWaalsContact O-CA 3.31Å; Y42-T50 WeakPolarHBondContact O-CA 3.21Å; Y42-S51 VanDerWaalsContact CE1-CB 3.4Å; Y42-S51 PolarHBondContact N-O 3.49Å; Y42-S51 PolarHBondContact O-N 3.24Å; Y42-S51 VanDerWaalsContact O-N 3.07Å; Y42-L62 VanDerWaalsContact C-CD1 3.47Å; Y42-L62 WeakPolarHBondContact O-CD1 2.98Å
43	I	97.6	Very high	95.3	Very high	4 Å²	4	62.4 Å²	62.4	2%	0.021	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	134.1	166	-175.4	162.6	0	0	0	109.4	M26 P45 G49 T50 L62 V64 A71	M26-I43 HydrophobicContact CB-CG2 4.11Å; M26-I43 PolarHBondContact N-O 3.39Å; M26-I43 PolarHBondContact O-N 3.14Å; I43-P45 VanDerWaalsContact O-CD 3.29Å; I43-P45 WeakPolarHBondContact O-CD 3.49Å; I43-G49 CarbonylContact C-O 3.59Å; I43-G49 WeakPolarHBondContact CA-O 3.36Å; I43-T50 HydrophobicContact CB-CG2 3.97Å; I43-T50 HydrophobicContact CD1-CG2 3.96Å; I43-T50 HydrophobicContact CG1-CG2 3.82Å; I43-L62 HydrophobicContact CB-CB 4.01Å; I43-L62 HydrophobicContact CB-CD1 4.4Å; I43-L62 HydrophobicContact CD1-CB 4.31Å; I43-L62 HydrophobicContact CG2-CB 4.36Å; I43-V64 HydrophobicContact CD1-CB 3.95Å; I43-V64 HydrophobicContact CD1-CG1 3.93Å; I43-A71 HydrophobicContact CG2-CB 4.37Å
44	N	96.4	Very high	95.6	Very high	36 Å²	36	60.1 Å²	60.1	19%	0.193	34%	0.344	C	S	.	.			trans	-84.8	111.8	170.6	-176.3	-38.4	0	0	0	108.8	N25 N46 N47 G48 G49	N25-N44 VanDerWaalsContact OD1-CA 3.31Å; N25-N44 WeakPolarHBondContact OD1-CA 3.38Å; N25-N44 WeakPolarHBondContact OD1-CB 3.41Å; N25-N44 PolarHBondContact OD1-ND2 2.9Å; N44-N46 PolarHBondContact O-N 3.42Å; N44-N46 WeakPolarHBondContact OD1-CA 3.36Å; N44-N46 WeakPolarHBondContact OD1-CB 3.38Å; N44-N46 PolarHBondContact OD1-N 3.41Å; N44-N47 WeakPolarHBondContact CB-OD1 3.23Å; N44-N47 PolarHBondContact OD1-N 2.83Å; N44-G48 VanDerWaalsContact O-CA 3.24Å; N44-G48 WeakPolarHBondContact O-CA 3.34Å; N44-G48 PolarHBondContact O-N 3.42Å; N44-G49 PolarHBondContact N-O 2.76Å
45	P	96.4	Very high	95.8	Very high	0 Å²	0	62.9 Å²	62.9	0%	0	33%	0.331	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.3	-19.7	-178.8	-23.2	37.4	0	0	0	114.1	F21 Y24 I43 V64 K66	F21-P45 HydrophobicContact CD1-CB 3.88Å; F21-P45 HydrophobicContact CD1-CG 4.43Å; F21-P45 HydrophobicContact CD2-CB 4.41Å; F21-P45 HydrophobicContact CD2-CG 4.13Å; F21-P45 HydrophobicContact CE1-CB 3.71Å; F21-P45 HydrophobicContact CE1-CG 4.12Å; F21-P45 HydrophobicContact CE2-CB 4.22Å; F21-P45 HydrophobicContact CE2-CG 3.74Å; F21-P45 HydrophobicContact CG-CB 4.27Å; F21-P45 HydrophobicContact CG-CG 4.48Å; F21-P45 HydrophobicContact CZ-CB 3.87Å; F21-P45 HydrophobicContact CZ-CG 3.74Å; F21-P45 WeakPolarHBondContact O-CG 3.37Å; Y24-P45 WeakPolarHBondContact O-CD 3.44Å; Y24-P45 WeakPolarHBondContact O-CG 3.35Å; I43-P45 VanDerWaalsContact O-CD 3.29Å; I43-P45 WeakPolarHBondContact O-CD 3.49Å; P45-V64 HydrophobicContact CB-CG2 3.94Å; P45-V64 HydrophobicContact CG-CG2 4.5Å; P45-K66 WeakPolarHBondContact O-CE 3.12Å
46	N	95.9	Very high	96	Very high	95 Å²	95	56.8 Å²	56.8	51%	0.508	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.6	-49.7	178.5	-171.1	20.2	0	0	0	112.2	T22 N44 K66	T22-N46 WeakPolarHBondContact O-CB 3.43Å; N44-N46 PolarHBondContact O-N 3.42Å; N44-N46 WeakPolarHBondContact OD1-CA 3.36Å; N44-N46 WeakPolarHBondContact OD1-CB 3.38Å; N44-N46 PolarHBondContact OD1-N 3.41Å; N46-K66 PolarHBondContact O-NZ 2.98Å
47	N	95.6	Very high	96.1	Very high	115 Å²	115	59.1 Å²	59.1	62%	0.615	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-118	-2.5	-173.3	64.1	16.9	0	0	0	114.4	N44 G49	N44-N47 WeakPolarHBondContact CB-OD1 3.23Å; N44-N47 PolarHBondContact OD1-N 2.83Å; N47-G49 PolarHBondContact O-N 2.58Å; N47-G49 PolarHBondContact OD1-N 2.79Å
48	G	95.6	Very high	96.1	Very high	35 Å²	35	58.6 Å²	58.6	36%	0.361	32%	0.319	S	S	.	.			trans	75.3	5.2	-178.6	0	0	0	0	0	114.3	N44	N44-G48 VanDerWaalsContact O-CA 3.24Å; N44-G48 WeakPolarHBondContact O-CA 3.34Å; N44-G48 PolarHBondContact O-N 3.42Å
49	G	97	Very high	96.1	Very high	32 Å²	32	59 Å²	59	33%	0.33	32%	0.32	S	S	.	.			trans	-60.8	136.9	177.8	0	0	0	0	0	111.3	I43 N44 N47	I43-G49 CarbonylContact C-O 3.59Å; I43-G49 WeakPolarHBondContact CA-O 3.36Å; N44-G49 PolarHBondContact N-O 2.76Å; N47-G49 PolarHBondContact O-N 2.58Å; N47-G49 PolarHBondContact OD1-N 2.79Å
50	T	97.4	Very high	96.1	Very high	64 Å²	64	55.7 Å²	55.7	39%	0.393	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	147.7	-178.1	53	0	0	0	0	111.5	Y42 I43 Y52 L62	Y42-T50 VanDerWaalsContact O-CA 3.31Å; Y42-T50 WeakPolarHBondContact O-CA 3.21Å; I43-T50 HydrophobicContact CB-CG2 3.97Å; I43-T50 HydrophobicContact CD1-CG2 3.96Å; I43-T50 HydrophobicContact CG1-CG2 3.82Å; T50-Y52 WeakPolarHBondContact OG1-CE2 3Å; T50-L62 HydrophobicContact CG2-CB 4.06Å
51	S	96.8	Very high	96.2	Very high	45 Å²	45	57.7 Å²	57.7	32%	0.315	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	146.1	168.1	-175.5	0	0	0	0	109	G41 Y42	G41-S51 CarbonylContact C-O 3.45Å; G41-S51 WeakPolarHBondContact CA-O 3.5Å; Y42-S51 VanDerWaalsContact CE1-CB 3.4Å; Y42-S51 PolarHBondContact N-O 3.49Å; Y42-S51 PolarHBondContact O-N 3.24Å; Y42-S51 VanDerWaalsContact O-N 3.07Å
52	Y	97.1	Very high	96.2	Very high	56 Å²	56	58.1 Å²	58.1	22%	0.22	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	145.6	-175.3	-62.6	-91.7	0	0	0	110.4	I40 T50 A60 L62	I40-Y52 WeakPolarHBondContact O-CA 3.5Å; T50-Y52 WeakPolarHBondContact OG1-CE2 3Å; Y52-A60 HydrophobicContact CD1-CB 4.44Å; Y52-A60 HydrophobicContact CE1-CB 4.22Å; Y52-A60 WeakPolarHBondContact CE1-O 3.49Å; Y52-L62 HydrophobicContact CE1-CD1 4.04Å; Y52-L62 HydrophobicContact CE1-CG 3.71Å; Y52-L62 PolarHBondContact OH-N 2.92Å; Y52-L62 VanDerWaalsContact OH-N 3.08Å
53	N	96.2	Very high	96.3	Very high	49 Å²	49	57.4 Å²	57.4	26%	0.262	33%	0.326	S	S	.	.			trans	-67.4	139.1	158	-179.6	-29.6	0	0	0	109.1	W39 I40 K55 F56 K57	W39-N53 HydrophobicContact CE3-CB 3.97Å; W39-N53 HydrophobicContact CZ3-CB 4.15Å; W39-N53 WeakPolarHBondContact O-CB 3.01Å; W39-N53 PolarHBondContact O-ND2 3.4Å; I40-N53 PolarHBondContact O-N 2.92Å; N53-K55 PolarHBondContact O-N 3.11Å; N53-K55 VanDerWaalsContact O-N 3.12Å; N53-K55 PolarHBondContact OD1-N 3.03Å; N53-K55 VanDerWaalsContact OD1-N 3.11Å; N53-F56 HydrophobicContact CB-CD2 4.11Å; N53-F56 PolarHBondContact O-N 2.84Å; N53-K57 PolarHBondContact O-N 3.17Å; N53-K57 VanDerWaalsContact O-N 3.15Å
54	Q	95.4	Very high	96.3	Very high	146 Å²	146	59.1 Å²	59.1	68%	0.682	34%	0.337	S	S	*	.	G	3₁₀ helix	trans	-53.4	-35.9	-177.3	-64.7	-63	-15.7	0	0	112.9	F56 K57	Q54-F56 PolarHBondContact O-N 3.16Å; Q54-K57 PolarHBondContact O-N 2.87Å
55	K	93.5	Very high	96.3	Very high	143 Å²	143	60.4 Å²	60.4	62%	0.622	34%	0.344	S	S	*	.	G	3₁₀ helix	trans	-59.4	-29	177.4	-71.4	178.8	171.9	176.9	0	114	E38 N53	E38-K55 IonicContact OE2-NZ 2.78Å; E38-K55 PolarHBondContact OE2-NZ 3.12Å; N53-K55 PolarHBondContact O-N 3.11Å; N53-K55 VanDerWaalsContact O-N 3.12Å; N53-K55 PolarHBondContact OD1-N 3.03Å; N53-K55 VanDerWaalsContact OD1-N 3.11Å
56	F	95.4	Very high	96.2	Very high	8 Å²	8	65.5 Å²	65.5	4%	0.035	37%	0.366	C	S	.	.	G	3₁₀ helix	trans	-108.4	-4.6	-174.7	-62.9	-83	0	0	0	112.8	K30 E38 I40 N53 Q54 G58 K59 A60	K30-F56 HydrophobicContact CB-CZ 4.26Å; K30-F56 HydrophobicContact CD-CE1 3.97Å; K30-F56 HydrophobicContact CD-CZ 3.86Å; E38-F56 HydrophobicContact CB-CE2 4.47Å; I40-F56 HydrophobicContact CB-CD2 4.23Å; I40-F56 HydrophobicContact CB-CG 4.23Å; I40-F56 HydrophobicContact CD1-CE1 4.49Å; I40-F56 HydrophobicContact CG1-CD1 4.16Å; I40-F56 HydrophobicContact CG1-CD2 4.15Å; I40-F56 HydrophobicContact CG1-CE1 4.05Å; I40-F56 HydrophobicContact CG1-CE2 4.02Å; I40-F56 HydrophobicContact CG1-CG 4.2Å; I40-F56 HydrophobicContact CG1-CZ 3.98Å; I40-F56 HydrophobicContact CG2-CB 3.76Å; I40-F56 HydrophobicContact CG2-CD1 4.09Å; I40-F56 HydrophobicContact CG2-CD2 4.25Å; I40-F56 HydrophobicContact CG2-CG 3.78Å; N53-F56 HydrophobicContact CB-CD2 4.11Å; N53-F56 PolarHBondContact O-N 2.84Å; Q54-F56 PolarHBondContact O-N 3.16Å; F56-G58 PolarHBondContact O-N 2.84Å; F56-K59 PolarHBondContact O-N 3.07Å; F56-A60 HydrophobicContact CB-CB 4.29Å; F56-A60 PolarHBondContact O-N 2.87Å
57	K	94.2	Very high	96.2	Very high	141 Å²	141	66.4 Å²	66.4	61%	0.613	38%	0.379	S	S	*	.	B	Isolated β-bridge	trans	-62.2	124.7	175.8	-167	174.9	-178.1	-179	0	109.1	N53 Q54 K59	N53-K57 PolarHBondContact O-N 3.17Å; N53-K57 VanDerWaalsContact O-N 3.15Å; Q54-K57 PolarHBondContact O-N 2.87Å; K57-K59 PolarHBondContact O-N 2.86Å
58	G	92.9	Very high	96.2	Very high	76 Å²	76	62.8 Å²	62.8	78%	0.784	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	84.1	-17.2	-175.1	0	0	0	0	0	114.9	F56	F56-G58 PolarHBondContact O-N 2.84Å
59	K	95.7	Very high	96.3	Very high	47 Å²	47	63 Å²	63	20%	0.204	36%	0.36	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.3	-42.4	175.3	-166.5	168	-164.1	171.4	0	112.7	F56 K57 L75 R76 D82	F56-K59 PolarHBondContact O-N 3.07Å; K57-K59 PolarHBondContact O-N 2.86Å; K59-L75 WeakPolarHBondContact O-CA 3.19Å; K59-R76 PolarHBondContact O-N 2.85Å; K59-D82 VanDerWaalsContact CE-OD1 3.31Å; K59-D82 WeakPolarHBondContact CE-OD1 3.41Å; K59-D82 WeakPolarHBondContact CE-OD2 3.43Å; K59-D82 IonicContact NZ-OD1 3.18Å; K59-D82 PolarHBondContact NZ-OD1 3.08Å; K59-D82 IonicContact NZ-OD2 3.68Å; K59-D82 PolarHBondContact NZ-OD2 3.36Å
60	A	97.7	Very high	96.3	Very high	4 Å²	4	62 Å²	62	3%	0.033	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	141	176.9	0	0	0	0	0	110.9	I40 Y52 F56 M73 E74 L75	I40-A60 HydrophobicContact CG2-CB 3.84Å; Y52-A60 HydrophobicContact CD1-CB 4.44Å; Y52-A60 HydrophobicContact CE1-CB 4.22Å; Y52-A60 WeakPolarHBondContact CE1-O 3.49Å; F56-A60 HydrophobicContact CB-CB 4.29Å; F56-A60 PolarHBondContact O-N 2.87Å; A60-M73 HydrophobicContact CB-CG 4.44Å; A60-M73 HydrophobicContact CB-SD 4.31Å; A60-E74 CarbonylContact C-O 3.49Å; A60-E74 WeakPolarHBondContact CA-O 3.44Å; A60-L75 HydrophobicContact CB-CD2 3.86Å
61	T	98.3	Very high	96.4	Very high	43 Å²	43	58.9 Å²	58.9	26%	0.264	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	120.3	168.7	-63.2	0	0	0	0	108.7	T63 M73 E74	T61-T63 HydrophobicContact CG2-CG2 4.28Å; T61-M73 WeakPolarHBondContact O-CA 3.33Å; T61-E74 PolarHBondContact N-O 2.94Å; T61-E74 PolarHBondContact O-N 3.21Å
62	L	98.4	Very high	96.4	Very high	9 Å²	9	59.4 Å²	59.4	5%	0.047	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	132.4	179.3	-52.5	-176.9	0	0	0	110.2	W28 Y42 I43 T50 Y52 Y72 M73	W28-L62 HydrophobicContact CG-CD2 4.07Å; Y42-L62 VanDerWaalsContact C-CD1 3.47Å; Y42-L62 WeakPolarHBondContact O-CD1 2.98Å; I43-L62 HydrophobicContact CB-CB 4.01Å; I43-L62 HydrophobicContact CB-CD1 4.4Å; I43-L62 HydrophobicContact CD1-CB 4.31Å; I43-L62 HydrophobicContact CG2-CB 4.36Å; T50-L62 HydrophobicContact CG2-CB 4.06Å; Y52-L62 HydrophobicContact CE1-CD1 4.04Å; Y52-L62 HydrophobicContact CE1-CG 3.71Å; Y52-L62 PolarHBondContact OH-N 2.92Å; Y52-L62 VanDerWaalsContact OH-N 3.08Å; L62-Y72 WeakPolarHBondContact CA-O 3.19Å; L62-M73 HydrophobicContact CD2-CB 3.67Å; L62-M73 HydrophobicContact CD2-CG 3.63Å; L62-M73 HydrophobicContact CD2-SD 4.07Å
63	T	98.3	Very high	96.5	Very high	58 Å²	58	56.7 Å²	56.7	36%	0.356	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	165.6	177.2	57.6	0	0	0	0	110.7	T61 Y72	T61-T63 HydrophobicContact CG2-CG2 4.28Å; T63-Y72 PolarHBondContact N-O 3.28Å; T63-Y72 PolarHBondContact O-N 3.15Å
64	V	97.8	Very high	96.6	Very high	40 Å²	40	56.8 Å²	56.8	24%	0.242	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	141.1	-177.4	65.5	0	0	0	0	111.1	F21 I43 P45	F21-V64 HydrophobicContact CD1-CG2 4.41Å; F21-V64 HydrophobicContact CE1-CG2 3.23Å; F21-V64 HydrophobicContact CZ-CG2 3.5Å; I43-V64 HydrophobicContact CD1-CB 3.95Å; I43-V64 HydrophobicContact CD1-CG1 3.93Å; P45-V64 HydrophobicContact CB-CG2 3.94Å; P45-V64 HydrophobicContact CG-CG2 4.5Å
65	N	97.1	Very high	96.7	Very high	62 Å²	62	49.8 Å²	49.8	33%	0.332	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	108.7	166.5	-175.4	-9.5	0	0	0	108.8	S67 S68 S69 T70 Y72	N65-S67 PolarHBondContact OD1-N 3.33Å; N65-S67 VanDerWaalsContact OD1-N 3.13Å; N65-S67 PolarHBondContact OD1-OG 3.21Å; N65-S68 WeakPolarHBondContact CB-OG 3.37Å; N65-S68 VanDerWaalsContact CG-OG 3.27Å; N65-S68 PolarHBondContact ND2-OG 2.89Å; N65-S69 PolarHBondContact O-N 3.04Å; N65-S69 VanDerWaalsContact O-N 3.16Å; N65-T70 PolarHBondContact N-O 2.99Å; N65-T70 PolarHBondContact O-N 2.93Å; N65-Y72 HydrophobicContact CB-CE2 3.92Å
66	K	95.1	Very high	96.8	Very high	108 Å²	108	48.1 Å²	48.1	47%	0.47	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.1	-37.2	-177.6	-56.8	-172	-167.9	-171.2	0	112.3	P45 N46 S68 S69	P45-K66 WeakPolarHBondContact O-CE 3.12Å; N46-K66 PolarHBondContact O-NZ 2.98Å; K66-S68 VanDerWaalsContact C-N 3.3Å; K66-S68 PolarHBondContact O-N 3.25Å; K66-S69 PolarHBondContact O-N 2.9Å; K66-S69 VanDerWaalsContact O-N 3.12Å
67	S	94.4	Very high	96.9	Very high	113 Å²	113	51.7 Å²	51.7	79%	0.79	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.9	-34.1	-176.2	65.4	0	0	0	0	112.1	N65	N65-S67 PolarHBondContact OD1-N 3.33Å; N65-S67 VanDerWaalsContact OD1-N 3.13Å; N65-S67 PolarHBondContact OD1-OG 3.21Å
68	S	96.6	Very high	97	Very high	39 Å²	39	45 Å²	45	27%	0.273	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.3	2.8	175.2	66.5	0	0	0	0	113.9	N65 K66 T70	N65-S68 WeakPolarHBondContact CB-OG 3.37Å; N65-S68 VanDerWaalsContact CG-OG 3.27Å; N65-S68 PolarHBondContact ND2-OG 2.89Å; K66-S68 VanDerWaalsContact C-N 3.3Å; K66-S68 PolarHBondContact O-N 3.25Å; S68-T70 PolarHBondContact O-N 3.35Å; S68-T70 PolarHBondContact O-OG1 2.87Å; S68-T70 WeakPolarHBondContact OG-CB 3.41Å; S68-T70 PolarHBondContact OG-OG1 3.32Å
69	S	97	Very high	97.1	Very high	41 Å²	41	44.1 Å²	44.1	29%	0.287	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	48.1	43	-173.4	-64.4	0	0	0	0	113.3	A16 F21 N65 K66	A16-S69 PolarHBondContact N-O 3.11Å; F21-S69 VanDerWaalsContact CD1-CA 3.41Å; F21-S69 VanDerWaalsContact CE1-C 3.5Å; N65-S69 PolarHBondContact O-N 3.04Å; N65-S69 VanDerWaalsContact O-N 3.16Å; K66-S69 PolarHBondContact O-N 2.9Å; K66-S69 VanDerWaalsContact O-N 3.12Å
70	T	98.1	Very high	97.1	Very high	9 Å²	9	45.9 Å²	45.9	6%	0.055	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	127.7	-173.3	-54	0	0	0	0	111.1	C14 N65 S68 Y72	C14-T70 WeakPolarHBondContact O-CA 3.45Å; N65-T70 PolarHBondContact N-O 2.99Å; N65-T70 PolarHBondContact O-N 2.93Å; S68-T70 PolarHBondContact O-N 3.35Å; S68-T70 PolarHBondContact O-OG1 2.87Å; S68-T70 WeakPolarHBondContact OG-CB 3.41Å; S68-T70 PolarHBondContact OG-OG1 3.32Å; T70-Y72 HydrophobicContact CG2-CD1 4.39Å; T70-Y72 HydrophobicContact CG2-CD2 4.32Å; T70-Y72 HydrophobicContact CG2-CE1 3.79Å; T70-Y72 HydrophobicContact CG2-CE2 3.69Å; T70-Y72 WeakPolarHBondContact CG2-OH 3.48Å
71	A	98	Very high	96.8	Very high	0 Å²	0	53 Å²	53	0%	0	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	151.7	167.4	0	0	0	0	0	110	S13 C14 F21 M26 W28 I43	S13-A71 CarbonylContact C-O 3.55Å; S13-A71 WeakPolarHBondContact CA-O 3.3Å; C14-A71 PolarHBondContact N-O 3.25Å; C14-A71 PolarHBondContact O-N 2.91Å; F21-A71 HydrophobicContact CZ-CB 4.06Å; M26-A71 HydrophobicContact CB-CB 3.96Å; M26-A71 HydrophobicContact CG-CB 3.62Å; W28-A71 HydrophobicContact CZ2-CB 4.34Å; I43-A71 HydrophobicContact CG2-CB 4.37Å
72	Y	98.3	Very high	96.7	Very high	55 Å²	55	51.2 Å²	51.2	22%	0.216	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	145.7	176.9	-55.4	-94.1	0	0	0	110.6	M12 S13 L62 T63 N65 T70	M12-Y72 CarbonylContact O-C 3.51Å; M12-Y72 WeakPolarHBondContact O-CA 3.4Å; M12-Y72 WeakPolarHBondContact O-CB 3.49Å; S13-Y72 VanDerWaalsContact CB-CD1 3.47Å; S13-Y72 VanDerWaalsContact CB-CE1 3.42Å; L62-Y72 WeakPolarHBondContact CA-O 3.19Å; T63-Y72 PolarHBondContact N-O 3.28Å; T63-Y72 PolarHBondContact O-N 3.15Å; N65-Y72 HydrophobicContact CB-CE2 3.92Å; T70-Y72 HydrophobicContact CG2-CD1 4.39Å; T70-Y72 HydrophobicContact CG2-CD2 4.32Å; T70-Y72 HydrophobicContact CG2-CE1 3.79Å; T70-Y72 HydrophobicContact CG2-CE2 3.69Å; T70-Y72 WeakPolarHBondContact CG2-OH 3.48Å
73	M	98.2	Very high	96.6	Very high	0 Å²	0	52.6 Å²	52.6	0%	0	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	127	165.4	176.8	172.7	69.2	0	0	108.7	K11 M12 W28 I40 A60 T61 L62 L75 Y86	K11-M73 WeakPolarHBondContact CA-O 3.44Å; M12-M73 HydrophobicContact CE-CE 3.59Å; M12-M73 HydrophobicContact CG-CB 3.94Å; M12-M73 HydrophobicContact CG-CE 4.08Å; M12-M73 WeakPolarHBondContact CG-O 3.23Å; M12-M73 PolarHBondContact N-O 3.09Å; M12-M73 PolarHBondContact O-N 3Å; M12-M73 HydrophobicContact SD-CE 3.23Å; M12-M73 WeakPolarHBondContact SD-CE 3.47Å; W28-M73 HydrophobicContact CB-SD 3.92Å; W28-M73 HydrophobicContact CD2-CB 3.68Å; W28-M73 HydrophobicContact CD2-CE 4.27Å; W28-M73 HydrophobicContact CD2-SD 4.18Å; W28-M73 HydrophobicContact CE3-CB 3.93Å; W28-M73 HydrophobicContact CE3-CE 3.78Å; W28-M73 HydrophobicContact CE3-SD 4.29Å; W28-M73 HydrophobicContact CG-CB 4.19Å; W28-M73 HydrophobicContact CG-SD 4.05Å; W28-M73 HydrophobicContact CH2-CB 4.13Å; W28-M73 HydrophobicContact CZ2-CB 3.9Å; W28-M73 HydrophobicContact CZ3-CB 4.15Å; W28-M73 HydrophobicContact CZ3-CE 4.38Å; I40-M73 HydrophobicContact CD1-CE 3.8Å; I40-M73 HydrophobicContact CD1-SD 3.67Å; I40-M73 HydrophobicContact CG2-SD 3.92Å; A60-M73 HydrophobicContact CB-CG 4.44Å; A60-M73 HydrophobicContact CB-SD 4.31Å; T61-M73 WeakPolarHBondContact O-CA 3.33Å; L62-M73 HydrophobicContact CD2-CB 3.67Å; L62-M73 HydrophobicContact CD2-CG 3.63Å; L62-M73 HydrophobicContact CD2-SD 4.07Å; M73-L75 HydrophobicContact CE-CD1 4Å; M73-L75 HydrophobicContact CE-CD2 4.24Å; M73-L75 HydrophobicContact CE-CG 4.06Å; M73-L75 HydrophobicContact CG-CD2 4.34Å; M73-L75 HydrophobicContact CG-CG 4.31Å; M73-L75 HydrophobicContact SD-CD2 3.99Å; M73-L75 HydrophobicContact SD-CG 4.32Å; M73-Y86 HydrophobicContact CE-CD1 3.63Å; M73-Y86 HydrophobicContact CE-CE1 4.25Å; M73-Y86 HydrophobicContact CE-CG 4.22Å
74	E	98.1	Very high	96.6	Very high	50 Å²	50	50 Å²	50	23%	0.234	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	123.5	167.6	-171.7	-171.2	176.3	0	0	108.7	V10 K11 A60 T61 R76	V10-E74 CarbonylContact O-C 3.51Å; V10-E74 WeakPolarHBondContact O-CA 3.49Å; K11-E74 HydrophobicContact CB-CG 4.48Å; A60-E74 CarbonylContact C-O 3.49Å; A60-E74 WeakPolarHBondContact CA-O 3.44Å; T61-E74 PolarHBondContact N-O 2.94Å; T61-E74 PolarHBondContact O-N 3.21Å; E74-R76 HydrophobicContact CG-CG 4.26Å; E74-R76 IonicContact OE1-CZ 3.36Å; E74-R76 IonicContact OE1-NE 2.83Å; E74-R76 PolarHBondContact OE1-NE 3.35Å; E74-R76 IonicContact OE1-NH2 3.54Å; E74-R76 IonicContact OE2-CZ 2.76Å; E74-R76 IonicContact OE2-NE 2.58Å; E74-R76 PolarHBondContact OE2-NE 2.98Å; E74-R76 IonicContact OE2-NH2 3.86Å; E74-R76 PolarHBondContact OE2-NH2 2.87Å
75	L	97.4	Very high	96.6	Very high	0 Å²	0	49.8 Å²	49.8	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	133.1	169.8	-63.5	169	0	0	0	108.6	S9 V10 M12 K59 A60 M73 L78 Y86	S9-L75 CarbonylContact C-O 3.55Å; S9-L75 WeakPolarHBondContact CA-O 3.47Å; S9-L75 WeakPolarHBondContact CB-O 3.34Å; V10-L75 HydrophobicContact CG1-CB 4.17Å; V10-L75 HydrophobicContact CG1-CD1 4.34Å; V10-L75 PolarHBondContact N-O 2.79Å; V10-L75 PolarHBondContact O-N 2.03Å; M12-L75 HydrophobicContact CE-CD1 3.8Å; M12-L75 HydrophobicContact CE-CG 4.46Å; K59-L75 WeakPolarHBondContact O-CA 3.19Å; A60-L75 HydrophobicContact CB-CD2 3.86Å; M73-L75 HydrophobicContact CE-CD1 4Å; M73-L75 HydrophobicContact CE-CD2 4.24Å; M73-L75 HydrophobicContact CE-CG 4.06Å; M73-L75 HydrophobicContact CG-CD2 4.34Å; M73-L75 HydrophobicContact CG-CG 4.31Å; M73-L75 HydrophobicContact SD-CD2 3.99Å; M73-L75 HydrophobicContact SD-CG 4.32Å; L75-L78 HydrophobicContact CB-CD2 3.74Å; L75-L78 HydrophobicContact CB-CG 4.49Å; L75-L78 HydrophobicContact CD1-CD2 4.26Å; L75-Y86 HydrophobicContact CD1-CD1 4.06Å; L75-Y86 HydrophobicContact CD1-CE1 3.46Å; L75-Y86 VanDerWaalsContact CD1-CE1 3.46Å; L75-Y86 HydrophobicContact CD1-CE2 4.02Å; L75-Y86 VanDerWaalsContact CD1-CZ 3.43Å
76	R	96.9	Very high	96.7	Very high	108 Å²	108	47 Å²	47	41%	0.408	26%	0.263	S	S	.	.			trans	-115.9	156.1	-176.8	-59.7	-177	177.1	170.6	4.7	111.6	S9 K59 E74 L78	S9-R76 WeakPolarHBondContact OG-CA 3.17Å; K59-R76 PolarHBondContact O-N 2.85Å; E74-R76 HydrophobicContact CG-CG 4.26Å; E74-R76 IonicContact OE1-CZ 3.36Å; E74-R76 IonicContact OE1-NE 2.83Å; E74-R76 PolarHBondContact OE1-NE 3.35Å; E74-R76 IonicContact OE1-NH2 3.54Å; E74-R76 IonicContact OE2-CZ 2.76Å; E74-R76 IonicContact OE2-NE 2.58Å; E74-R76 PolarHBondContact OE2-NE 2.98Å; E74-R76 IonicContact OE2-NH2 3.86Å; E74-R76 PolarHBondContact OE2-NH2 2.87Å; R76-L78 VanDerWaalsContact C-N 3.31Å; R76-L78 PolarHBondContact O-N 2.83Å
77	S	95.9	Very high	96.8	Very high	83 Å²	83	43.8 Å²	43.8	58%	0.58	25%	0.248	S	C	*	.	S	Bend	trans	52.2	51	174.4	-55.6	0	0	0	0	111.9	A8	A8-S77 PolarHBondContact O-N 3.02Å
78	L	96.3	Very high	96.9	Very high	1 Å²	1	39.2 Å²	39.2	1%	0.005	22%	0.216	C	C	.	.			trans	-63.1	140.4	-173.8	-71.4	172.2	0	0	0	112.1	V4 P6 G7 A8 V10 L75 R76 D82 V109 V111	V4-L78 HydrophobicContact CG2-CD1 3.61Å; P6-L78 CarbonylContact C-O 3.57Å; P6-L78 WeakPolarHBondContact CA-O 3.38Å; G7-L78 PolarHBondContact N-O 2.86Å; A8-L78 WeakPolarHBondContact O-CB 3.44Å; A8-L78 WeakPolarHBondContact O-CG 3.25Å; A8-L78 PolarHBondContact O-N 2.94Å; V10-L78 HydrophobicContact CB-CD1 4.08Å; V10-L78 HydrophobicContact CG1-CD1 3.84Å; L75-L78 HydrophobicContact CB-CD2 3.74Å; L75-L78 HydrophobicContact CB-CG 4.49Å; L75-L78 HydrophobicContact CD1-CD2 4.26Å; R76-L78 VanDerWaalsContact C-N 3.31Å; R76-L78 PolarHBondContact O-N 2.83Å; L78-D82 WeakPolarHBondContact CA-OD2 3.31Å; L78-D82 HydrophobicContact CD2-CB 3.58Å; L78-V109 HydrophobicContact CD1-CG1 4.44Å; L78-V111 HydrophobicContact CB-CG1 4.24Å; L78-V111 HydrophobicContact CB-CG2 3.97Å; L78-V111 HydrophobicContact CD1-CG2 4.32Å
79	T	95.8	Very high	96.9	Very high	56 Å²	56	37.4 Å²	37.4	34%	0.344	20%	0.204	S	C	.	.			trans	-117.8	168	173.7	65.7	0	0	0	0	109.7	E81 D82 V111	T79-E81 PolarHBondContact O-N 3.18Å; T79-E81 VanDerWaalsContact O-N 3.11Å; T79-D82 PolarHBondContact N-OD2 3.07Å; T79-D82 WeakPolarHBondContact O-CB 3.26Å; T79-D82 PolarHBondContact O-N 2.92Å; T79-D82 PolarHBondContact OG1-OD2 2.92Å; T79-V111 WeakPolarHBondContact O-CB 3.43Å; T79-V111 WeakPolarHBondContact O-CG2 3.09Å
80	S	94.6	Very high	96.6	Very high	85 Å²	85	36.5 Å²	36.5	59%	0.594	19%	0.194	S	C	*	.	G	3₁₀ helix	trans	-53.4	-32.6	176.1	51.2	0	0	0	0	112.7	D82 S83	S80-D82 PolarHBondContact O-N 2.81Å; S80-S83 VanDerWaalsContact O-CB 3.31Å; S80-S83 WeakPolarHBondContact O-CB 3.49Å; S80-S83 PolarHBondContact O-N 3.45Å; S80-S83 VanDerWaalsContact O-N 3.09Å; S80-S83 PolarHBondContact O-OG 2.87Å
81	E	93.3	Very high	95.9	Very high	154 Å²	154	41.8 Å²	41.8	72%	0.72	21%	0.213	S	C	*	.	G	3₁₀ helix	trans	-65.8	-16.8	176.8	-59.5	-176.5	169	0	0	114	K30 T79 S83	K30-E81 PolarHBondContact NZ-O 2.89Å; T79-E81 PolarHBondContact O-N 3.18Å; T79-E81 VanDerWaalsContact O-N 3.11Å; E81-S83 VanDerWaalsContact C-N 3.27Å
82	D	95.6	Very high	94.8	Very high	4 Å²	4	42.6 Å²	42.6	2%	0.021	22%	0.221	C	C	.	.	G	3₁₀ helix	trans	-83	-3.5	174.1	-59.9	-50.5	0	0	0	113.4	K30 K59 L78 T79 S80 A84 Y86 V111	K30-D82 IonicContact NZ-OD1 3.75Å; K59-D82 VanDerWaalsContact CE-OD1 3.31Å; K59-D82 WeakPolarHBondContact CE-OD1 3.41Å; K59-D82 WeakPolarHBondContact CE-OD2 3.43Å; K59-D82 IonicContact NZ-OD1 3.18Å; K59-D82 PolarHBondContact NZ-OD1 3.08Å; K59-D82 IonicContact NZ-OD2 3.68Å; K59-D82 PolarHBondContact NZ-OD2 3.36Å; L78-D82 WeakPolarHBondContact CA-OD2 3.31Å; L78-D82 HydrophobicContact CD2-CB 3.58Å; T79-D82 PolarHBondContact N-OD2 3.07Å; T79-D82 WeakPolarHBondContact O-CB 3.26Å; T79-D82 PolarHBondContact O-N 2.92Å; T79-D82 PolarHBondContact OG1-OD2 2.92Å; S80-D82 PolarHBondContact O-N 2.81Å; D82-A84 PolarHBondContact O-N 2.91Å; D82-Y86 WeakPolarHBondContact O-CE2 3.47Å; D82-Y86 PolarHBondContact O-OH 3.41Å; D82-V111 HydrophobicContact CB-CG2 4.24Å
83	S	97	Very high	93.1	Very high	39 Å²	39	47.8 Å²	47.8	27%	0.273	24%	0.241	S	C	.	.			trans	-64	110.1	173.6	-56.3	0	0	0	0	110.1	S80 E81 V109 V111	S80-S83 VanDerWaalsContact O-CB 3.31Å; S80-S83 WeakPolarHBondContact O-CB 3.49Å; S80-S83 PolarHBondContact O-N 3.45Å; S80-S83 VanDerWaalsContact O-N 3.09Å; S80-S83 PolarHBondContact O-OG 2.87Å; E81-S83 VanDerWaalsContact C-N 3.27Å; S83-V109 CarbonylContact C-O 3.45Å; S83-V109 VanDerWaalsContact CA-O 3.27Å; S83-V109 WeakPolarHBondContact CA-O 3.47Å; S83-V111 PolarHBondContact OG-N 3.13Å
84	A	97.5	Very high	91.4	Very high	3 Å²	3	56.9 Å²	56.9	3%	0.025	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-166.4	166.4	-170.5	0	0	0	0	0	111	K30 Q31 D82 Y86 V109	K30-A84 HydrophobicContact CD-CB 4.15Å; K30-A84 VanDerWaalsContact CE-CB 3.5Å; K30-A84 HydrophobicContact CG-CB 3.53Å; Q31-A84 WeakPolarHBondContact O-CA 3.02Å; Q31-A84 VanDerWaalsContact O-CB 3.27Å; Q31-A84 WeakPolarHBondContact O-CB 3.31Å; D82-A84 PolarHBondContact O-N 2.91Å; A84-Y86 HydrophobicContact CB-CD2 4.36Å; A84-Y86 HydrophobicContact CB-CE2 3.82Å; A84-Y86 WeakPolarHBondContact O-CD2 3.07Å; A84-V109 PolarHBondContact N-O 2.91Å; A84-V109 PolarHBondContact O-N 3.49Å
85	V	98	Very high	89.3	Confident	36 Å²	36	59.2 Å²	59.2	22%	0.218	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	129.3	163.5	-168.5	0	0	0	0	108.6	Q31 Y87 L108	Q31-V85 PolarHBondContact N-O 2.88Å; Q31-V85 PolarHBondContact O-N 3.18Å; V85-Y87 HydrophobicContact CB-CE2 3.7Å; V85-Y87 HydrophobicContact CG1-CD2 4.29Å; V85-Y87 HydrophobicContact CG1-CE1 3.87Å; V85-Y87 HydrophobicContact CG1-CE2 3.55Å; V85-Y87 VanDerWaalsContact CG1-OH 3.3Å; V85-Y87 WeakPolarHBondContact CG1-OH 3.29Å; V85-L108 HydrophobicContact CG2-CB 4.44Å; V85-L108 HydrophobicContact CG2-CD1 4.07Å
86	Y	98	Very high	87.2	Confident	2 Å²	2	70.8 Å²	70.8	1%	0.008	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	127.1	180	-69.6	-89	0	0	0	110.3	M12 V29 K30 I40 M73 L75 D82 A84 G106 T107 V109	M12-Y86 HydrophobicContact CE-CD1 4.35Å; M12-Y86 HydrophobicContact CE-CD2 4.07Å; M12-Y86 HydrophobicContact CE-CG 3.84Å; M12-Y86 VanDerWaalsContact SD-CB 3.5Å; M12-Y86 HydrophobicContact SD-CG 4.09Å; V29-Y86 WeakPolarHBondContact O-CA 3.41Å; K30-Y86 HydrophobicContact CB-CD1 4.11Å; K30-Y86 HydrophobicContact CB-CE1 3.86Å; K30-Y86 HydrophobicContact CD-CE1 4Å; K30-Y86 HydrophobicContact CG-CD1 4.24Å; K30-Y86 HydrophobicContact CG-CE1 3.68Å; I40-Y86 HydrophobicContact CD1-CD1 3.71Å; I40-Y86 HydrophobicContact CD1-CE1 3.85Å; M73-Y86 HydrophobicContact CE-CD1 3.63Å; M73-Y86 HydrophobicContact CE-CE1 4.25Å; M73-Y86 HydrophobicContact CE-CG 4.22Å; L75-Y86 HydrophobicContact CD1-CD1 4.06Å; L75-Y86 HydrophobicContact CD1-CE1 3.46Å; L75-Y86 VanDerWaalsContact CD1-CE1 3.46Å; L75-Y86 HydrophobicContact CD1-CE2 4.02Å; L75-Y86 VanDerWaalsContact CD1-CZ 3.43Å; D82-Y86 WeakPolarHBondContact O-CE2 3.47Å; D82-Y86 PolarHBondContact O-OH 3.41Å; A84-Y86 HydrophobicContact CB-CD2 4.36Å; A84-Y86 HydrophobicContact CB-CE2 3.82Å; A84-Y86 WeakPolarHBondContact O-CD2 3.07Å; Y86-G106 CarbonylContact O-C 3.59Å; Y86-G106 VanDerWaalsContact O-CA 3.23Å; Y86-G106 WeakPolarHBondContact O-CA 3.49Å; Y86-T107 PolarHBondContact N-O 3.24Å; Y86-T107 PolarHBondContact O-N 2.83Å; Y86-V109 HydrophobicContact CD2-CB 4.01Å; Y86-V109 HydrophobicContact CD2-CG2 3.72Å; Y86-V109 HydrophobicContact CE2-CB 3.88Å; Y86-V109 HydrophobicContact CE2-CG2 4.01Å
87	Y	97.9	Very high	85.1	Confident	42 Å²	42	71.6 Å²	71.6	17%	0.165	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	144.4	-177.1	-58.3	-89.1	0	0	0	110.5	W28 V29 Q31 V85 W103 G104	W28-Y87 CarbonylContact C-O 3.59Å; W28-Y87 WeakPolarHBondContact CA-O 3.42Å; V29-Y87 PolarHBondContact N-O 2.8Å; V29-Y87 PolarHBondContact O-N 2.91Å; Q31-Y87 HydrophobicContact CB-CD2 4.39Å; Q31-Y87 HydrophobicContact CB-CE2 3.76Å; Q31-Y87 PolarHBondContact OE1-OH 2.92Å; V85-Y87 HydrophobicContact CB-CE2 3.7Å; V85-Y87 HydrophobicContact CG1-CD2 4.29Å; V85-Y87 HydrophobicContact CG1-CE1 3.87Å; V85-Y87 HydrophobicContact CG1-CE2 3.55Å; V85-Y87 VanDerWaalsContact CG1-OH 3.3Å; V85-Y87 WeakPolarHBondContact CG1-OH 3.29Å; Y87-W103 HydrophobicContact CD1-CE3 4.45Å; Y87-W103 HydrophobicContact CG-CE3 4.1Å; Y87-W103 HydrophobicContact CG-CZ3 4.26Å; Y87-G104 WeakPolarHBondContact CD1-O 2.94Å
88	C	97.1	Very high	83.4	Confident	16 Å²	16	75.6 Å²	75.6	11%	0.108	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	148.4	157	61.8	0	0	0	0	109.7	C14 M26 H27 W28 G104	C14-C88 HydrophobicContact CB-CB 3.42Å; C14-C88 VanDerWaalsContact CB-CB 3.42Å; C14-C88 WeakPolarHBondContact CB-SG 3.43Å; C14-C88 WeakPolarHBondContact SG-CB 3.46Å; C14-C88 CovalentContact SG-SG 2.03Å; C14-C88 PolarHBondContact SG-SG 2.8Å; M26-C88 HydrophobicContact CG-CB 4.39Å; M26-C88 HydrophobicContact SD-CB 3.76Å; H27-C88 CarbonylContact O-C 3.57Å; H27-C88 WeakPolarHBondContact O-CA 3.34Å; W28-C88 HydrophobicContact CD2-CB 4.41Å; W28-C88 HydrophobicContact CE3-CB 4.19Å; W28-C88 HydrophobicContact CH2-CB 4.3Å; W28-C88 HydrophobicContact CZ2-CB 4.49Å; W28-C88 HydrophobicContact CZ3-CB 4.13Å; C88-G104 PolarHBondContact O-N 3.04Å
89	A	95.8	Very high	82.1	Confident	2 Å²	2	77.4 Å²	77.4	2%	0.017	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.1	160	-178.1	0	0	0	0	0	112	H27 F100 Y102 W103	H27-A89 HydrophobicContact CB-CB 4.5Å; H27-A89 WeakPolarHBondContact CB-O 3.16Å; H27-A89 PolarHBondContact N-O 2.83Å; H27-A89 PolarHBondContact O-N 3.38Å; A89-F100 HydrophobicContact CB-CB 3.94Å; A89-F100 HydrophobicContact CB-CD1 4.12Å; A89-F100 HydrophobicContact CB-CD2 4.16Å; A89-F100 HydrophobicContact CB-CG 3.8Å; A89-Y102 CarbonylContact C-O 3.58Å; A89-Y102 WeakPolarHBondContact CA-O 3.41Å; A89-Y102 WeakPolarHBondContact CB-O 3.43Å; A89-W103 HydrophobicContact CB-CD2 3.83Å; A89-W103 HydrophobicContact CB-CE3 3.81Å; A89-W103 HydrophobicContact CB-CG 4.37Å; A89-W103 HydrophobicContact CB-CH2 4.35Å; A89-W103 HydrophobicContact CB-CZ2 4.39Å; A89-W103 HydrophobicContact CB-CZ3 4.08Å
90	R	91.5	Very high	81.4	Confident	21 Å²	21	77.2 Å²	77.2	8%	0.079	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	143.3	178.5	-169.9	-169.1	70.2	124.5	-4.2	110.3	Y24 A101 Y102	Y24-R90 VanDerWaalsContact CB-CD 3.48Å; Y24-R90 HydrophobicContact CD1-CG 4.15Å; Y24-R90 HydrophobicContact CG-CG 4.08Å; R90-A101 PolarHBondContact O-N 3.16Å; R90-Y102 PolarHBondContact N-O 3.33Å; R90-Y102 VanDerWaalsContact NH2-CD2 3.3Å; R90-Y102 PolarHBondContact O-N 3.39Å; R90-Y102 VanDerWaalsContact O-N 3.07Å
91	R	83.9	Confident	80.9	Confident	121 Å²	121	75.5 Å²	75.5	46%	0.457	36%	0.363	S	S	.	.			trans	-71.5	153	170.8	-69.3	-171.1	161.8	167.2	-6.5	111.9	E98 F100	R91-E98 PolarHBondContact NE-O 3.16Å; R91-E98 PolarHBondContact NH2-O 3.22Å; R91-F100 HydrophobicContact CG-CD1 3.95Å; R91-F100 HydrophobicContact CG-CE1 4.2Å
92	G	73.9	Confident	80.8	Confident	17 Å²	17	74.6 Å²	74.6	18%	0.175	35%	0.354	C	S	.	.			trans	-71.4	165.1	171.6	0	0	0	0	0	112.3
93	Y	61.7	Low	80.8	Confident	163 Å²	163	79.4 Å²	79.4	64%	0.639	37%	0.372	S	S	*	.	S	Bend	trans	-76.9	-23.3	178.9	-172.6	-103.6	0	0	0	113.3	Y24	Y24-Y93 HydrophobicContact CE1-CD2 4.27Å; Y24-Y93 AromaticContact CZ-CD2 3.89Å; Y24-Y93 WeakPolarHBondContact OH-CB 3.4Å; Y24-Y93 WeakPolarHBondContact OH-CD2 3.34Å
94	Y	63.5	Low	80.7	Confident	192 Å²	192	78.8 Å²	78.8	75%	0.753	37%	0.371	S	S	*	.	S	Bend	trans	-120.7	5.9	-169.7	-71.3	-66	0	0	0	115.3	Y96	Y94-Y96 PolarHBondContact O-N 3.34Å
95	D	53.9	Low	80.6	Confident	98 Å²	98	87.6 Å²	87.6	52%	0.524	41%	0.412	S	S	.	.			trans	-82.6	112.1	-168.1	-87.4	-37.6	0	0	0	112.9	D97	D95-D97 HydrophobicContact CB-CB 4.32Å; D95-D97 WeakPolarHBondContact CB-O 3.31Å; D95-D97 PolarHBondContact O-N 2.83Å
96	Y	52.9	Low	80.4	Confident	244 Å²	244	87.2 Å²	87.2	96%	0.957	42%	0.416	S	S	*	.	S	Bend	trans	-65.4	4	153.8	-69.1	-88.4	0	0	0	112.5	Y94	Y94-Y96 PolarHBondContact O-N 3.34Å
97	D	52.1	Low	80.4	Confident	124 Å²	124	89.4 Å²	89.4	66%	0.663	43%	0.429	S	S	*	.	S	Bend	trans	-112.4	130	-179.6	-144.2	-10.2	0	0	0	109.6	D95 G99	D95-D97 HydrophobicContact CB-CB 4.32Å; D95-D97 WeakPolarHBondContact CB-O 3.31Å; D95-D97 PolarHBondContact O-N 2.83Å; D97-G99 PolarHBondContact O-N 2.97Å
98	E	60.1	Low	80.3	Confident	168 Å²	168	91.1 Å²	91.1	79%	0.785	44%	0.441	S	S	*	.			trans	-71.9	4.7	-166.3	-62	-163.6	160.2	0	0	115	R91	R91-E98 PolarHBondContact NE-O 3.16Å; R91-E98 PolarHBondContact NH2-O 3.22Å
99	G	70.1	Confident	80.3	Confident	39 Å²	39	90.3 Å²	90.3	40%	0.402	44%	0.435	S	S	.	.	S	Bend	trans	-83.6	168.7	-169.2	0	0	0	0	0	116.7	D97	D97-G99 PolarHBondContact O-N 2.97Å
100	F	81.6	Confident	80.4	Confident	52 Å²	52	92.7 Å²	92.7	23%	0.228	45%	0.45	C	S	.	.			trans	-91.4	112	172.8	-63.4	-56	0	0	0	110.4	H27 V29 W39 A89 R91 W103	H27-F100 HydrophobicContact CB-CD1 4.38Å; H27-F100 HydrophobicContact CB-CE1 3.63Å; H27-F100 HydrophobicContact CB-CZ 3.76Å; H27-F100 AromaticContact CD2-CE1 3.6Å; H27-F100 AromaticContact CE1-CE1 3.78Å; H27-F100 AromaticContact CG-CE1 3.25Å; H27-F100 AromaticContact CG-CZ 3.65Å; H27-F100 AromaticContact ND1-CE1 3.36Å; H27-F100 WeakPolarHBondContact ND1-CE1 3.35Å; H27-F100 AromaticContact ND1-CZ 3.49Å; H27-F100 WeakPolarHBondContact ND1-CZ 3.4Å; H27-F100 AromaticContact NE2-CE1 3.93Å; V29-F100 HydrophobicContact CG2-CD2 4.49Å; V29-F100 HydrophobicContact CG2-CE2 4.03Å; W39-F100 AromaticContact CD1-CZ 3.9Å; A89-F100 HydrophobicContact CB-CB 3.94Å; A89-F100 HydrophobicContact CB-CD1 4.12Å; A89-F100 HydrophobicContact CB-CD2 4.16Å; A89-F100 HydrophobicContact CB-CG 3.8Å; R91-F100 HydrophobicContact CG-CD1 3.95Å; R91-F100 HydrophobicContact CG-CE1 4.2Å; F100-W103 HydrophobicContact CB-CZ2 3.66Å; F100-W103 AromaticContact CD2-CH2 3.82Å; F100-W103 HydrophobicContact CD2-CH2 3.82Å; F100-W103 AromaticContact CD2-CZ2 3.53Å; F100-W103 HydrophobicContact CD2-CZ2 3.53Å; F100-W103 HydrophobicContact CG-CZ2 4.03Å; F100-W103 PolarHBondContact O-NE1 3.12Å
101	A	84.1	Confident	80.6	Confident	48 Å²	48	92 Å²	92	40%	0.397	45%	0.448	S	S	.	.			trans	-76.9	-26.8	-178.8	0	0	0	0	0	113.7	R90	R90-A101 PolarHBondContact O-N 3.16Å
102	Y	90.3	Very high	81.1	Confident	136 Å²	136	88.7 Å²	88.7	53%	0.533	44%	0.443	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	133.8	-176.5	-58.6	-86.9	0	0	0	111.1	A89 R90	A89-Y102 CarbonylContact C-O 3.58Å; A89-Y102 WeakPolarHBondContact CA-O 3.41Å; A89-Y102 WeakPolarHBondContact CB-O 3.43Å; R90-Y102 PolarHBondContact N-O 3.33Å; R90-Y102 VanDerWaalsContact NH2-CD2 3.3Å; R90-Y102 PolarHBondContact O-N 3.39Å; R90-Y102 VanDerWaalsContact O-N 3.07Å
103	W	94.9	Very high	81.6	Confident	105 Å²	105	94.5 Å²	94.5	40%	0.398	49%	0.489	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	143	-178.1	-67.8	79.7	0	0	0	111.1	V29 L37 Y87 A89 F100	V29-W103 HydrophobicContact CB-CH2 4.17Å; V29-W103 HydrophobicContact CB-CZ3 3.84Å; V29-W103 HydrophobicContact CG1-CH2 4.07Å; V29-W103 HydrophobicContact CG1-CZ3 4.04Å; V29-W103 HydrophobicContact CG2-CH2 3.85Å; V29-W103 HydrophobicContact CG2-CZ3 3.85Å; L37-W103 HydrophobicContact CD1-CH2 3.86Å; L37-W103 HydrophobicContact CD1-CZ2 4.34Å; Y87-W103 HydrophobicContact CD1-CE3 4.45Å; Y87-W103 HydrophobicContact CG-CE3 4.1Å; Y87-W103 HydrophobicContact CG-CZ3 4.26Å; A89-W103 HydrophobicContact CB-CD2 3.83Å; A89-W103 HydrophobicContact CB-CE3 3.81Å; A89-W103 HydrophobicContact CB-CG 4.37Å; A89-W103 HydrophobicContact CB-CH2 4.35Å; A89-W103 HydrophobicContact CB-CZ2 4.39Å; A89-W103 HydrophobicContact CB-CZ3 4.08Å; F100-W103 HydrophobicContact CB-CZ2 3.66Å; F100-W103 AromaticContact CD2-CH2 3.82Å; F100-W103 HydrophobicContact CD2-CH2 3.82Å; F100-W103 AromaticContact CD2-CZ2 3.53Å; F100-W103 HydrophobicContact CD2-CZ2 3.53Å; F100-W103 HydrophobicContact CG-CZ2 4.03Å; F100-W103 PolarHBondContact O-NE1 3.12Å
104	G	95.3	Very high	82.6	Confident	26 Å²	26	91.1 Å²	91.1	27%	0.268	48%	0.482	S	S	.	.			trans	-72.2	165	163.5	0	0	0	0	0	111.4	Y87 C88 G106	Y87-G104 WeakPolarHBondContact CD1-O 2.94Å; C88-G104 PolarHBondContact O-N 3.04Å; G104-G106 PolarHBondContact O-N 3.09Å; G104-G106 VanDerWaalsContact O-N 3.16Å
105	Q	95.1	Very high	83.6	Confident	187 Å²	187	85.7 Å²	85.7	87%	0.874	47%	0.468	S	S	*	.			trans	-64.5	-19	179.5	-65.6	-62.2	-40.4	0	0	113.7
106	G	95.8	Very high	85.2	Confident	29 Å²	29	85.1 Å²	85.1	30%	0.299	46%	0.464	S	S	.	.			trans	86.7	151	-178	0	0	0	0	0	113	Y86 G104	Y86-G106 CarbonylContact O-C 3.59Å; Y86-G106 VanDerWaalsContact O-CA 3.23Å; Y86-G106 WeakPolarHBondContact O-CA 3.49Å; G104-G106 PolarHBondContact O-N 3.09Å; G104-G106 VanDerWaalsContact O-N 3.16Å
107	T	96.7	Very high	87.1	Confident	47 Å²	47	75.7 Å²	75.7	29%	0.288	44%	0.435	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	115.5	176.7	-60.7	0	0	0	0	108.7	E2 Y86 V109	E2-T107 HydrophobicContact CG-CG2 4.36Å; Y86-T107 PolarHBondContact N-O 3.24Å; Y86-T107 PolarHBondContact O-N 2.83Å; T107-V109 HydrophobicContact CG2-CG2 4.48Å; T107-V109 PolarHBondContact O-N 2.81Å
108	L	97.1	Very high	89.3	Confident	78 Å²	78	72.7 Å²	72.7	41%	0.408	42%	0.421	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.1	123	169.7	176.3	64.4	0	0	0	109.3	P1 E2 V85	P1-L108 CarbonylContact C-O 3.59Å; P1-L108 WeakPolarHBondContact CA-O 3.27Å; P1-L108 HydrophobicContact CB-CB 4.25Å; P1-L108 HydrophobicContact CB-CD2 4.41Å; E2-L108 PolarHBondContact N-O 3.28Å; V85-L108 HydrophobicContact CG2-CB 4.44Å; V85-L108 HydrophobicContact CG2-CD1 4.07Å
109	V	97.1	Very high	91.2	Very high	0 Å²	0	66.3 Å²	66.3	0%	0	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	128.3	167.1	179.6	0	0	0	0	107.3	E2 V4 V10 M12 L78 S83 A84 Y86 T107 V111	E2-V109 HydrophobicContact CB-CG2 4.31Å; E2-V109 CarbonylContact O-C 3.49Å; E2-V109 WeakPolarHBondContact O-CA 3.24Å; V4-V109 HydrophobicContact CG2-CG1 4.19Å; V10-V109 HydrophobicContact CG1-CG1 4.33Å; V10-V109 HydrophobicContact CG1-CG2 4.29Å; M12-V109 HydrophobicContact CE-CG2 4.05Å; L78-V109 HydrophobicContact CD1-CG1 4.44Å; S83-V109 CarbonylContact C-O 3.45Å; S83-V109 VanDerWaalsContact CA-O 3.27Å; S83-V109 WeakPolarHBondContact CA-O 3.47Å; A84-V109 PolarHBondContact N-O 2.91Å; A84-V109 PolarHBondContact O-N 3.49Å; Y86-V109 HydrophobicContact CD2-CB 4.01Å; Y86-V109 HydrophobicContact CD2-CG2 3.72Å; Y86-V109 HydrophobicContact CE2-CB 3.88Å; Y86-V109 HydrophobicContact CE2-CG2 4.01Å; T107-V109 HydrophobicContact CG2-CG2 4.48Å; T107-V109 PolarHBondContact O-N 2.81Å; V109-V111 HydrophobicContact CG1-CG2 4.32Å
110	T	97.2	Very high	92.8	Very high	51 Å²	51	68.3 Å²	68.3	31%	0.313	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	124.6	177.1	-56.8	0	0	0	0	108.5	E2 L3 V4	E2-T110 PolarHBondContact O-N 3.36Å; L3-T110 WeakPolarHBondContact CA-O 3.41Å; L3-T110 HydrophobicContact CD1-CG2 3.8Å; V4-T110 PolarHBondContact N-O 2.88Å
111	V	96.3	Very high	93.6	Very high	7 Å²	7	69.5 Å²	69.5	4%	0.042	41%	0.41	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	106.1	178.8	-170.3	0	0	0	0	108.8	V4 P6 L78 T79 D82 S83 V109	V4-V111 HydrophobicContact CG2-CB 4.46Å; V4-V111 HydrophobicContact CG2-CG2 3.87Å; V4-V111 WeakPolarHBondContact O-CA 3.16Å; P6-V111 HydrophobicContact CB-CG1 4.44Å; P6-V111 HydrophobicContact CG-CG1 4.17Å; L78-V111 HydrophobicContact CB-CG1 4.24Å; L78-V111 HydrophobicContact CB-CG2 3.97Å; L78-V111 HydrophobicContact CD1-CG2 4.32Å; T79-V111 WeakPolarHBondContact O-CB 3.43Å; T79-V111 WeakPolarHBondContact O-CG2 3.09Å; D82-V111 HydrophobicContact CB-CG2 4.24Å; S83-V111 PolarHBondContact OG-N 3.13Å; V109-V111 HydrophobicContact CG1-CG2 4.32Å
112	S	93.8	Very high	94.4	Very high	52 Å²	52	71.3 Å²	71.3	36%	0.364	41%	0.411	S	S	.	.			trans	-139.8	152	-179.8	68.2	0	0	0	0	111.6	L3 V4 P6	L3-S112 WeakPolarHBondContact CD1-OG 3.31Å; V4-S112 PolarHBondContact O-N 2.64Å; V4-S112 VanDerWaalsContact O-N 3.11Å; P6-S112 WeakPolarHBondContact CD-O 3.24Å
113	A	83.4	Confident	94.8	Very high	138 Å²	138	65.5 Å²	65.5	100%	1.141	40%	0.4	S	S	*	.			trans	-70.8	0	176.3	0	0	0	0	0	112.1

Retrieved 113 of 113 residues in 42.5 ms (Link to these results)

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