A0A090KQC0_HUMAN Loading...

MHC class II antigen

AlphaFold DB , UniProt , Accession A0A090KQC0, Species HUMAN (Homo sapiens, Human), Gene HLA-DRB1, Length 89 aa.

						>A0A090KQC0_HUMAN|A0A090KQC0|HLA-DRB1
RFLEYSTGECYFFNGTERVRLLERHFHNQEELLSFDSDVGEFRAVTELGRPVAESWNSQKDFLEDRRAAVDTYCRHNYGAVESFTVQRR
					

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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	R	83.6	Confident	95.5	Very high	280 Å²	280	90.6 Å²	90.6	100%	1.057	44%	0.437	S	S	*	.				0	127.4	0	175.7	179	177.9	-177.8	-0.1	106.7
2	F	91.8	Very high	95.4	Very high	135 Å²	135	89 Å²	89	59%	0.592	43%	0.427	S	S	*	.			trans	-80.7	139.1	175.6	169.5	-113.4	0	0	0	110.2	E4 H27 N28	F2-E4 HydrophobicContact CE1-CB 4.21Å; F2-E4 HydrophobicContact CE2-CB 4.3Å; F2-E4 HydrophobicContact CZ-CB 3.69Å; F2-E4 HydrophobicContact CZ-CG 4.48Å; F2-H27 AromaticContact CD2-CE1 3.79Å; F2-H27 AromaticContact CE2-CE1 3.18Å; F2-H27 WeakPolarHBondContact CE2-CE1 3.25Å; F2-H27 AromaticContact CE2-ND1 3.42Å; F2-H27 WeakPolarHBondContact CE2-ND1 3.02Å; F2-N28 WeakPolarHBondContact CA-OD1 3.17Å
3	L	95.6	Very high	95.3	Very high	74 Å²	74	89.4 Å²	89.4	39%	0.387	43%	0.425	S	S	.	.			trans	-139.7	123.9	175.5	178.4	67.8	0	0	0	109.4	Y5 N28	L3-Y5 HydrophobicContact CD2-CD1 3.94Å; L3-Y5 HydrophobicContact CD2-CE1 4.01Å; L3-Y5 HydrophobicContact CG-CD1 3.93Å; L3-Y5 HydrophobicContact CG-CE1 4.44Å; L3-N28 PolarHBondContact N-OD1 2.9Å; L3-N28 PolarHBondContact O-N 3.14Å
4	E	95.5	Very high	95.1	Very high	89 Å²	89	92.9 Å²	92.9	42%	0.416	45%	0.448	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	131.2	171.5	-168.7	71	-149.3	0	0	107.8	F2 F26 H27	F2-E4 HydrophobicContact CE1-CB 4.21Å; F2-E4 HydrophobicContact CE2-CB 4.3Å; F2-E4 HydrophobicContact CZ-CB 3.69Å; F2-E4 HydrophobicContact CZ-CG 4.48Å; E4-F26 WeakPolarHBondContact CA-O 3.49Å; E4-F26 VanDerWaalsContact CD-O 3.32Å; E4-H27 IonicContact OE2-CG 3.32Å; E4-H27 IonicContact OE2-ND1 3.88Å; E4-H27 PolarHBondContact OE2-ND1 3.04Å
5	Y	97.1	Very high	94.6	Very high	86 Å²	86	88.9 Å²	88.9	34%	0.337	44%	0.441	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-156	162.1	175.5	70.1	-80.2	0	0	0	111.3	L3 T7 F26	L3-Y5 HydrophobicContact CD2-CD1 3.94Å; L3-Y5 HydrophobicContact CD2-CE1 4.01Å; L3-Y5 HydrophobicContact CG-CD1 3.93Å; L3-Y5 HydrophobicContact CG-CE1 4.44Å; Y5-T7 HydrophobicContact CD2-CG2 4.41Å; Y5-T7 HydrophobicContact CE2-CG2 4.21Å; Y5-F26 HydrophobicContact CD1-CB 3.82Å; Y5-F26 HydrophobicContact CD2-CB 4.36Å; Y5-F26 AromaticContact CD2-CD2 3.84Å; Y5-F26 HydrophobicContact CD2-CD2 3.84Å; Y5-F26 HydrophobicContact CD2-CG 4.38Å; Y5-F26 HydrophobicContact CE1-CB 3.45Å; Y5-F26 VanDerWaalsContact CE1-CB 3.45Å; Y5-F26 HydrophobicContact CE1-CD2 4.38Å; Y5-F26 AromaticContact CE1-CG 3.97Å; Y5-F26 HydrophobicContact CE1-CG 3.97Å; Y5-F26 HydrophobicContact CE2-CB 4.01Å; Y5-F26 AromaticContact CE2-CD2 3.33Å; Y5-F26 HydrophobicContact CE2-CD2 3.33Å; Y5-F26 AromaticContact CE2-CE2 3.84Å; Y5-F26 HydrophobicContact CE2-CE2 3.84Å; Y5-F26 AromaticContact CE2-CG 3.72Å; Y5-F26 HydrophobicContact CE2-CG 3.72Å; Y5-F26 HydrophobicContact CG-CB 4.27Å; Y5-F26 AromaticContact CZ-CD2 3.65Å; Y5-F26 AromaticContact CZ-CG 3.48Å; Y5-F26 VanDerWaalsContact CZ-CG 3.48Å; Y5-F26 PolarHBondContact N-O 3.39Å; Y5-F26 VanDerWaalsContact N-O 3.09Å; Y5-F26 PolarHBondContact O-N 3.5Å
6	S	97.3	Very high	94.6	Very high	70 Å²	70	86.9 Å²	86.9	49%	0.49	44%	0.435	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	152.2	174.3	62	0	0	0	0	111.1	R24	S6-R24 CarbonylContact C-O 3.6Å; S6-R24 WeakPolarHBondContact CA-O 3.39Å; S6-R24 VanDerWaalsContact CB-O 3.32Å; S6-R24 WeakPolarHBondContact CB-O 3.45Å
7	T	98.2	Very high	94.5	Very high	41 Å²	41	90.7 Å²	90.7	25%	0.252	45%	0.451	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	146.6	168.7	63	0	0	0	0	109.8	Y5 E9 E23 R24 F26	Y5-T7 HydrophobicContact CD2-CG2 4.41Å; Y5-T7 HydrophobicContact CE2-CG2 4.21Å; T7-E9 PolarHBondContact OG1-OE2 3.37Å; T7-E23 CarbonylContact O-C 3.45Å; T7-E23 VanDerWaalsContact O-CA 3.24Å; T7-E23 WeakPolarHBondContact O-CA 3.14Å; T7-E23 WeakPolarHBondContact O-CG 3.46Å; T7-R24 PolarHBondContact N-O 3.48Å; T7-R24 PolarHBondContact O-N 2.95Å; T7-F26 HydrophobicContact CG2-CE2 3.93Å
8	G	97.5	Very high	94.6	Very high	42 Å²	42	93.4 Å²	93.4	43%	0.433	46%	0.455	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	96.3	172.1	0	0	0	0	0	108.8
9	E	98.3	Very high	94.8	Very high	55 Å²	55	88.8 Å²	88.8	26%	0.257	43%	0.433	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	122.4	-169.6	-62.3	166.7	66.9	0	0	110	T7 Y11 L21 L22 R24	T7-E9 PolarHBondContact OG1-OE2 3.37Å; E9-Y11 HydrophobicContact CB-CD2 4.37Å; E9-Y11 HydrophobicContact CB-CE2 3.63Å; E9-Y11 PolarHBondContact OE1-OH 3.29Å; E9-L21 WeakPolarHBondContact O-CA 3.4Å; E9-L22 HydrophobicContact CB-CB 4.43Å; E9-L22 PolarHBondContact N-O 3.03Å; E9-L22 PolarHBondContact O-N 3.1Å; E9-R24 VanDerWaalsContact OE2-CD 3.32Å; E9-R24 WeakPolarHBondContact OE2-CD 3.31Å
10	C	98	Very high	95	Very high	34 Å²	34	87.8 Å²	87.8	23%	0.23	43%	0.425	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103	117.5	175.3	-60.5	0	0	0	0	109.9	F12 R20 C74	C10-F12 HydrophobicContact CB-CD2 4.34Å; C10-F12 HydrophobicContact CB-CE2 3.44Å; C10-F12 VanDerWaalsContact CB-CE2 3.44Å; C10-F12 HydrophobicContact CB-CZ 3.55Å; C10-F12 WeakPolarHBondContact O-CD2 3.23Å; C10-F12 WeakPolarHBondContact O-CE2 3.13Å; C10-R20 WeakPolarHBondContact CA-O 3.29Å; C10-C74 HydrophobicContact CB-CB 3.64Å; C10-C74 WeakPolarHBondContact CB-SG 3.22Å; C10-C74 WeakPolarHBondContact SG-CA 3.27Å; C10-C74 WeakPolarHBondContact SG-CB 3.47Å; C10-C74 CovalentContact SG-SG 2.04Å; C10-C74 PolarHBondContact SG-SG 2.82Å
11	Y	97.3	Very high	95.1	Very high	91 Å²	91	83.8 Å²	83.8	36%	0.357	41%	0.405	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	120.7	176.3	-64.9	-91.6	0	0	0	109.7	E9 V19 R20 L22	E9-Y11 HydrophobicContact CB-CD2 4.37Å; E9-Y11 HydrophobicContact CB-CE2 3.63Å; E9-Y11 PolarHBondContact OE1-OH 3.29Å; Y11-V19 CarbonylContact O-C 3.59Å; Y11-V19 WeakPolarHBondContact O-CA 3.27Å; Y11-R20 PolarHBondContact N-O 3.46Å; Y11-R20 PolarHBondContact O-N 2.7Å; Y11-L22 HydrophobicContact CD2-CB 4.47Å; Y11-L22 HydrophobicContact CE2-CB 4.03Å; Y11-L22 HydrophobicContact CE2-CD2 4.3Å
12	F	95.1	Very high	95.8	Very high	71 Å²	71	71.2 Å²	71.2	31%	0.311	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	128.6	-175.7	-61.4	-84.7	0	0	0	110.1	C10 G15 T16 V19 C74 Y78	C10-F12 HydrophobicContact CB-CD2 4.34Å; C10-F12 HydrophobicContact CB-CE2 3.44Å; C10-F12 VanDerWaalsContact CB-CE2 3.44Å; C10-F12 HydrophobicContact CB-CZ 3.55Å; C10-F12 WeakPolarHBondContact O-CD2 3.23Å; C10-F12 WeakPolarHBondContact O-CE2 3.13Å; F12-G15 WeakPolarHBondContact CB-O 3.39Å; F12-T16 HydrophobicContact CD1-CG2 4.36Å; F12-V19 HydrophobicContact CD1-CB 4.43Å; F12-V19 HydrophobicContact CD1-CG1 3.95Å; F12-V19 HydrophobicContact CD1-CG2 3.7Å; F12-V19 HydrophobicContact CE1-CG1 3.74Å; F12-V19 HydrophobicContact CE1-CG2 4.03Å; F12-V19 HydrophobicContact CZ-CG1 4.43Å; F12-C74 HydrophobicContact CE1-CB 4.25Å; F12-C74 HydrophobicContact CZ-CB 4.06Å; F12-C74 WeakPolarHBondContact CZ-O 3.46Å; F12-Y78 HydrophobicContact CB-CD2 4.5Å; F12-Y78 HydrophobicContact CB-CE2 4.37Å; F12-Y78 AromaticContact CD1-CD2 3.56Å; F12-Y78 HydrophobicContact CD1-CD2 3.56Å; F12-Y78 HydrophobicContact CD1-CE2 4.19Å; F12-Y78 HydrophobicContact CD1-CG 4.01Å; F12-Y78 AromaticContact CD2-CD2 3.92Å; F12-Y78 HydrophobicContact CD2-CD2 3.92Å; F12-Y78 HydrophobicContact CD2-CE2 4.41Å; F12-Y78 AromaticContact CE1-CD2 3.63Å; F12-Y78 HydrophobicContact CE1-CD2 3.63Å; F12-Y78 AromaticContact CE1-CG 3.8Å; F12-Y78 HydrophobicContact CE1-CG 3.8Å; F12-Y78 AromaticContact CE2-CD2 3.96Å; F12-Y78 HydrophobicContact CE2-CD2 3.96Å; F12-Y78 AromaticContact CG-CD2 3.73Å; F12-Y78 HydrophobicContact CG-CD2 3.73Å; F12-Y78 HydrophobicContact CG-CE2 4.07Å; F12-Y78 AromaticContact CZ-CD2 3.83Å; F12-Y78 HydrophobicContact CZ-CD2 3.83Å; F12-Y78 HydrophobicContact CZ-CG 4.19Å
13	F	94.3	Very high	96.2	Very high	94 Å²	94	65.2 Å²	65.2	41%	0.412	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	128	178.3	-53.6	-89.3	0	0	0	109.3	R18	F13-R18 HydrophobicContact CB-CB 4.24Å; F13-R18 HydrophobicContact CD2-CB 4.38Å; F13-R18 HydrophobicContact CD2-CG 4.15Å; F13-R18 PolarHBondContact N-O 2.94Å; F13-R18 PolarHBondContact O-N 3.4Å
14	N	91.3	Very high	96.3	Very high	139 Å²	139	65.4 Å²	65.4	74%	0.743	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.7	58.7	-174.9	-59.7	-19.9	0	0	0	112	T16 E17	N14-T16 PolarHBondContact O-N 2.94Å; N14-E17 HydrophobicContact CB-CB 4.31Å; N14-E17 WeakPolarHBondContact CB-OE2 3.46Å; N14-E17 PolarHBondContact ND2-OE2 3.35Å; N14-E17 PolarHBondContact O-N 3.42Å
15	G	88.4	Confident	96.4	Very high	33 Å²	33	62.4 Å²	62.4	34%	0.34	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	68.6	-125.3	-169.9	0	0	0	0	0	110.6	F12	F12-G15 WeakPolarHBondContact CB-O 3.39Å
16	T	93.8	Very high	96.5	Very high	57 Å²	57	59.3 Å²	59.3	35%	0.35	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104.6	12.6	-180	60.8	0	0	0	0	113.9	F12 N14 R75 Y78	F12-T16 HydrophobicContact CD1-CG2 4.36Å; N14-T16 PolarHBondContact O-N 2.94Å; T16-R75 HydrophobicContact CG2-CG 4.49Å; T16-R75 PolarHBondContact O-NE 2.94Å; T16-Y78 HydrophobicContact CG2-CD1 3.31Å; T16-Y78 HydrophobicContact CG2-CE1 3.75Å; T16-Y78 HydrophobicContact CG2-CG 3.77Å
17	E	93.2	Very high	96.4	Very high	151 Å²	151	58.9 Å²	58.9	71%	0.706	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.7	-50.7	179.2	-174.6	-176.7	-176.8	0	0	110.6	N14	N14-E17 HydrophobicContact CB-CB 4.31Å; N14-E17 WeakPolarHBondContact CB-OE2 3.46Å; N14-E17 PolarHBondContact ND2-OE2 3.35Å; N14-E17 PolarHBondContact O-N 3.42Å
18	R	96.7	Very high	96.2	Very high	139 Å²	139	60.4 Å²	60.4	53%	0.525	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	128.5	169.1	-178.7	-179.6	178.7	-175.9	-0.9	109.8	F13 D38	F13-R18 HydrophobicContact CB-CB 4.24Å; F13-R18 HydrophobicContact CD2-CB 4.38Å; F13-R18 HydrophobicContact CD2-CG 4.15Å; F13-R18 PolarHBondContact N-O 2.94Å; F13-R18 PolarHBondContact O-N 3.4Å; R18-D38 IonicContact CZ-OD2 2.6Å; R18-D38 IonicContact NH2-OD2 3.14Å; R18-D38 PolarHBondContact NH2-OD2 2.86Å
19	V	97.9	Very high	96.1	Very high	7 Å²	7	65.7 Å²	65.7	4%	0.042	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	132.4	178.7	-175.3	0	0	0	0	108.6	Y11 F12 V70 C74 R75	Y11-V19 CarbonylContact O-C 3.59Å; Y11-V19 WeakPolarHBondContact O-CA 3.27Å; F12-V19 HydrophobicContact CD1-CB 4.43Å; F12-V19 HydrophobicContact CD1-CG1 3.95Å; F12-V19 HydrophobicContact CD1-CG2 3.7Å; F12-V19 HydrophobicContact CE1-CG1 3.74Å; F12-V19 HydrophobicContact CE1-CG2 4.03Å; F12-V19 HydrophobicContact CZ-CG1 4.43Å; V19-V70 HydrophobicContact CB-CG1 3.78Å; V19-V70 HydrophobicContact CG1-CG1 3.87Å; V19-V70 WeakPolarHBondContact O-CG1 3.37Å; V19-C74 HydrophobicContact CG1-CB 3.56Å; V19-R75 HydrophobicContact CB-CG 4.45Å; V19-R75 HydrophobicContact CG2-CG 3.85Å
20	R	98.3	Very high	96	Very high	68 Å²	68	68.1 Å²	68.1	26%	0.257	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	127	175.6	176.4	-177.9	176.4	-147.1	2.1	109.6	C10 Y11 D36 S37	C10-R20 WeakPolarHBondContact CA-O 3.29Å; Y11-R20 PolarHBondContact N-O 3.46Å; Y11-R20 PolarHBondContact O-N 2.7Å; R20-D36 IonicContact CZ-OD1 2.65Å; R20-D36 IonicContact CZ-OD2 2.98Å; R20-D36 VanDerWaalsContact CZ-OD2 3.32Å; R20-D36 IonicContact NE-OD1 3Å; R20-D36 PolarHBondContact NE-OD1 2.92Å; R20-D36 IonicContact NE-OD2 2.8Å; R20-D36 PolarHBondContact NE-OD2 3.42Å; R20-D36 IonicContact NH2-OD1 3.53Å; R20-D36 IonicContact NH2-OD2 2.8Å; R20-D36 PolarHBondContact NH2-OD2 3.34Å; R20-S37 WeakPolarHBondContact CA-OG 3.45Å
21	L	98.6	Very high	96	Very high	3 Å²	3	67.8 Å²	67.8	2%	0.016	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	124.3	168.7	173.6	64.2	0	0	0	108.7	E9 S37 A69 V70	E9-L21 WeakPolarHBondContact O-CA 3.4Å; L21-S37 PolarHBondContact N-OG 3.21Å; L21-S37 PolarHBondContact O-N 3.22Å; L21-S37 PolarHBondContact O-OG 3.19Å; L21-A69 HydrophobicContact CD2-CB 3.47Å; L21-A69 VanDerWaalsContact CD2-CB 3.47Å; L21-V70 HydrophobicContact CB-CG2 4.09Å
22	L	98.6	Very high	96	Very high	17 Å²	17	64.4 Å²	64.4	9%	0.089	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	112.2	168.7	-177.5	64.5	0	0	0	108.6	E9 Y11 R24 F35 D36	E9-L22 HydrophobicContact CB-CB 4.43Å; E9-L22 PolarHBondContact N-O 3.03Å; E9-L22 PolarHBondContact O-N 3.1Å; Y11-L22 HydrophobicContact CD2-CB 4.47Å; Y11-L22 HydrophobicContact CE2-CB 4.03Å; Y11-L22 HydrophobicContact CE2-CD2 4.3Å; L22-R24 HydrophobicContact CD1-CG 4.35Å; L22-R24 HydrophobicContact CD2-CG 4.25Å; L22-R24 HydrophobicContact CG-CG 3.86Å; L22-F35 WeakPolarHBondContact CA-O 3.02Å; L22-D36 HydrophobicContact CD1-CB 4.15Å
23	E	98.5	Very high	96.2	Very high	8 Å²	8	61.2 Å²	61.2	4%	0.037	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	133.4	171.8	-176.5	-165.8	-165.9	0	0	109.8	T7 H25 S34 F35 F42 R66	T7-E23 CarbonylContact O-C 3.45Å; T7-E23 VanDerWaalsContact O-CA 3.24Å; T7-E23 WeakPolarHBondContact O-CA 3.14Å; T7-E23 WeakPolarHBondContact O-CG 3.46Å; E23-H25 IonicContact OE1-CD2 3.34Å; E23-H25 IonicContact OE1-CE1 2.97Å; E23-H25 PolarHBondContact OE1-CE1 3.18Å; E23-H25 IonicContact OE1-NE2 2.95Å; E23-H25 PolarHBondContact OE1-NE2 3.05Å; E23-H25 IonicContact OE2-NE2 3Å; E23-S34 CarbonylContact O-C 3.58Å; E23-S34 WeakPolarHBondContact O-CA 3.41Å; E23-S34 WeakPolarHBondContact O-CB 3.39Å; E23-F35 HydrophobicContact CB-CB 4.29Å; E23-F35 PolarHBondContact N-O 3.39Å; E23-F35 PolarHBondContact O-N 2.89Å; E23-F42 WeakPolarHBondContact OE2-CE1 3.43Å; E23-F42 WeakPolarHBondContact OE2-CZ 3.33Å; E23-R66 IonicContact OE1-CZ 2.85Å; E23-R66 IonicContact OE1-NH1 3.32Å; E23-R66 PolarHBondContact OE1-NH1 3.21Å; E23-R66 IonicContact OE1-NH2 3.43Å; E23-R66 PolarHBondContact OE1-NH2 3.46Å; E23-R66 VanDerWaalsContact OE2-CD 3.27Å; E23-R66 WeakPolarHBondContact OE2-CD 3.47Å; E23-R66 IonicContact OE2-CZ 3.66Å; E23-R66 IonicContact OE2-NE 2.7Å; E23-R66 PolarHBondContact OE2-NE 3.49Å; E23-R66 IonicContact OE2-NH1 4Å; E23-R66 PolarHBondContact OE2-NH1 2.87Å; E23-R66 IonicContact OE2-NH2 2.66Å; E23-R66 PolarHBondContact OE2-NH2 3.22Å
24	R	98.6	Very high	96.4	Very high	78 Å²	78	57.7 Å²	57.7	29%	0.294	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	140.3	-176.8	-45.3	176.2	88.1	-178.4	6.6	109.7	S6 T7 E9 L22 F26 E31	S6-R24 CarbonylContact C-O 3.6Å; S6-R24 WeakPolarHBondContact CA-O 3.39Å; S6-R24 VanDerWaalsContact CB-O 3.32Å; S6-R24 WeakPolarHBondContact CB-O 3.45Å; T7-R24 PolarHBondContact N-O 3.48Å; T7-R24 PolarHBondContact O-N 2.95Å; E9-R24 VanDerWaalsContact OE2-CD 3.32Å; E9-R24 WeakPolarHBondContact OE2-CD 3.31Å; L22-R24 HydrophobicContact CD1-CG 4.35Å; L22-R24 HydrophobicContact CD2-CG 4.25Å; L22-R24 HydrophobicContact CG-CG 3.86Å; R24-F26 HydrophobicContact CB-CD2 4.38Å; R24-F26 HydrophobicContact CB-CE2 3.52Å; R24-F26 HydrophobicContact CB-CZ 3.79Å; R24-E31 HydrophobicContact CB-CG 4.45Å; R24-E31 IonicContact CZ-OE1 3.07Å; R24-E31 IonicContact CZ-OE2 3.97Å; R24-E31 IonicContact NE-OE1 3.04Å; R24-E31 PolarHBondContact NE-OE1 2.79Å; R24-E31 IonicContact NE-OE2 2.67Å; R24-E31 PolarHBondContact NE-OE2 3.33Å; R24-E31 IonicContact NH2-OE1 3.85Å; R24-E31 PolarHBondContact NH2-OE1 3.01Å; R24-E31 IonicContact NH2-OE2 2.83Å; R24-E31 PolarHBondContact NH2-OE2 2.99Å
25	H	98.3	Very high	96.7	Very high	27 Å²	27	51 Å²	51	13%	0.125	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	130.4	179.8	-70.7	-89.4	0	0	0	109.9	E23 E31 L32 L33 W56	E23-H25 IonicContact OE1-CD2 3.34Å; E23-H25 IonicContact OE1-CE1 2.97Å; E23-H25 PolarHBondContact OE1-CE1 3.18Å; E23-H25 IonicContact OE1-NE2 2.95Å; E23-H25 PolarHBondContact OE1-NE2 3.05Å; E23-H25 IonicContact OE2-NE2 3Å; H25-E31 CarbonylContact O-C 3.55Å; H25-E31 WeakPolarHBondContact O-CA 3.47Å; H25-L32 PolarHBondContact O-N 3.19Å; H25-L33 HydrophobicContact CB-CD2 3.9Å; H25-L33 HydrophobicContact CB-CG 4.26Å; H25-L33 PolarHBondContact N-O 2.96Å; H25-W56 AromaticContact CD2-CH2 3.99Å; H25-W56 AromaticContact CD2-CZ3 3.68Å; H25-W56 AromaticContact CE1-CH2 3.53Å; H25-W56 AromaticContact CE1-CZ3 3.84Å; H25-W56 AromaticContact ND1-CH2 3.84Å; H25-W56 AromaticContact NE2-CH2 3.62Å; H25-W56 AromaticContact NE2-CZ3 3.42Å; H25-W56 WeakPolarHBondContact NE2-CZ3 3.41Å
26	F	98	Very high	97.2	Very high	21 Å²	21	50.8 Å²	50.8	9%	0.092	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	135	-171.4	-61.2	-93.2	0	0	0	112.4	E4 Y5 T7 R24 E30 E31	E4-F26 WeakPolarHBondContact CA-O 3.49Å; E4-F26 VanDerWaalsContact CD-O 3.32Å; Y5-F26 HydrophobicContact CD1-CB 3.82Å; Y5-F26 HydrophobicContact CD2-CB 4.36Å; Y5-F26 AromaticContact CD2-CD2 3.84Å; Y5-F26 HydrophobicContact CD2-CD2 3.84Å; Y5-F26 HydrophobicContact CD2-CG 4.38Å; Y5-F26 HydrophobicContact CE1-CB 3.45Å; Y5-F26 VanDerWaalsContact CE1-CB 3.45Å; Y5-F26 HydrophobicContact CE1-CD2 4.38Å; Y5-F26 AromaticContact CE1-CG 3.97Å; Y5-F26 HydrophobicContact CE1-CG 3.97Å; Y5-F26 HydrophobicContact CE2-CB 4.01Å; Y5-F26 AromaticContact CE2-CD2 3.33Å; Y5-F26 HydrophobicContact CE2-CD2 3.33Å; Y5-F26 AromaticContact CE2-CE2 3.84Å; Y5-F26 HydrophobicContact CE2-CE2 3.84Å; Y5-F26 AromaticContact CE2-CG 3.72Å; Y5-F26 HydrophobicContact CE2-CG 3.72Å; Y5-F26 HydrophobicContact CG-CB 4.27Å; Y5-F26 AromaticContact CZ-CD2 3.65Å; Y5-F26 AromaticContact CZ-CG 3.48Å; Y5-F26 VanDerWaalsContact CZ-CG 3.48Å; Y5-F26 PolarHBondContact N-O 3.39Å; Y5-F26 VanDerWaalsContact N-O 3.09Å; Y5-F26 PolarHBondContact O-N 3.5Å; T7-F26 HydrophobicContact CG2-CE2 3.93Å; R24-F26 HydrophobicContact CB-CD2 4.38Å; R24-F26 HydrophobicContact CB-CE2 3.52Å; R24-F26 HydrophobicContact CB-CZ 3.79Å; F26-E30 CarbonylContact C-O 3.54Å; F26-E30 VanDerWaalsContact CA-O 3.27Å; F26-E30 WeakPolarHBondContact CA-O 3.41Å; F26-E31 HydrophobicContact CD1-CB 3.83Å; F26-E31 HydrophobicContact CD1-CG 4.44Å; F26-E31 HydrophobicContact CE1-CB 3.66Å; F26-E31 HydrophobicContact CE1-CG 4.1Å; F26-E31 HydrophobicContact CZ-CB 4.46Å; F26-E31 HydrophobicContact CZ-CG 4.44Å
27	H	95.2	Very high	97.4	Very high	61 Å²	61	49.3 Å²	49.3	28%	0.282	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	114.5	171.9	-174.2	91.4	0	0	0	109.5	F2 E4 Q29 E30 L32	F2-H27 AromaticContact CD2-CE1 3.79Å; F2-H27 AromaticContact CE2-CE1 3.18Å; F2-H27 WeakPolarHBondContact CE2-CE1 3.25Å; F2-H27 AromaticContact CE2-ND1 3.42Å; F2-H27 WeakPolarHBondContact CE2-ND1 3.02Å; E4-H27 IonicContact OE2-CG 3.32Å; E4-H27 IonicContact OE2-ND1 3.88Å; E4-H27 PolarHBondContact OE2-ND1 3.04Å; H27-Q29 VanDerWaalsContact C-N 3.25Å; H27-Q29 PolarHBondContact O-N 3.01Å; H27-E30 PolarHBondContact N-O 3.28Å; H27-E30 WeakPolarHBondContact O-CB 3.36Å; H27-E30 PolarHBondContact O-N 3.42Å; H27-L32 HydrophobicContact CB-CD1 3.59Å; H27-L32 HydrophobicContact CB-CD2 4.01Å; H27-L32 HydrophobicContact CB-CG 3.74Å
28	N	94.8	Very high	97.7	Very high	73 Å²	73	46.1 Å²	46.1	39%	0.39	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	49.9	43.6	-176.9	-60.2	-45.5	0	0	0	113.6	F2 L3 E30	F2-N28 WeakPolarHBondContact CA-OD1 3.17Å; L3-N28 PolarHBondContact N-OD1 2.9Å; L3-N28 PolarHBondContact O-N 3.14Å; N28-E30 PolarHBondContact O-N 3.2Å
29	Q	94.1	Very high	97.8	Very high	153 Å²	153	42.3 Å²	42.3	72%	0.715	21%	0.207	S	C	*	.	T	Hydrogen-bonded Turn	trans	72.7	-2.3	-177.3	-48.8	172.3	12.4	0	0	115.2	H27	H27-Q29 VanDerWaalsContact C-N 3.25Å; H27-Q29 PolarHBondContact O-N 3.01Å
30	E	96.8	Very high	97.8	Very high	106 Å²	106	42.4 Å²	42.4	50%	0.495	21%	0.21	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	125.4	171	-172.2	176.4	-175.2	0	0	109.7	F26 H27 N28 L32 T46	F26-E30 CarbonylContact C-O 3.54Å; F26-E30 VanDerWaalsContact CA-O 3.27Å; F26-E30 WeakPolarHBondContact CA-O 3.41Å; H27-E30 PolarHBondContact N-O 3.28Å; H27-E30 WeakPolarHBondContact O-CB 3.36Å; H27-E30 PolarHBondContact O-N 3.42Å; N28-E30 PolarHBondContact O-N 3.2Å; E30-L32 PolarHBondContact O-N 3.31Å; E30-T46 HydrophobicContact CG-CG2 4.03Å; E30-T46 VanDerWaalsContact OE1-CG2 3.27Å; E30-T46 WeakPolarHBondContact OE1-CG2 3.49Å
31	E	98.1	Very high	97.8	Very high	27 Å²	27	42.6 Å²	42.6	13%	0.126	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.4	124.4	175.8	-172.9	176.6	175.5	0	0	109.9	R24 H25 F26 S34 V45 T46	R24-E31 HydrophobicContact CB-CG 4.45Å; R24-E31 IonicContact CZ-OE1 3.07Å; R24-E31 IonicContact CZ-OE2 3.97Å; R24-E31 IonicContact NE-OE1 3.04Å; R24-E31 PolarHBondContact NE-OE1 2.79Å; R24-E31 IonicContact NE-OE2 2.67Å; R24-E31 PolarHBondContact NE-OE2 3.33Å; R24-E31 IonicContact NH2-OE1 3.85Å; R24-E31 PolarHBondContact NH2-OE1 3.01Å; R24-E31 IonicContact NH2-OE2 2.83Å; R24-E31 PolarHBondContact NH2-OE2 2.99Å; H25-E31 CarbonylContact O-C 3.55Å; H25-E31 WeakPolarHBondContact O-CA 3.47Å; F26-E31 HydrophobicContact CD1-CB 3.83Å; F26-E31 HydrophobicContact CD1-CG 4.44Å; F26-E31 HydrophobicContact CE1-CB 3.66Å; F26-E31 HydrophobicContact CE1-CG 4.1Å; F26-E31 HydrophobicContact CZ-CB 4.46Å; F26-E31 HydrophobicContact CZ-CG 4.44Å; E31-S34 WeakPolarHBondContact OE1-CB 3.07Å; E31-S34 PolarHBondContact OE1-OG 3.39Å; E31-V45 HydrophobicContact CB-CG1 4.43Å; E31-V45 HydrophobicContact CG-CB 4.31Å; E31-V45 HydrophobicContact CG-CG2 3.89Å; E31-T46 VanDerWaalsContact O-CG2 3.26Å; E31-T46 WeakPolarHBondContact O-CG2 3.28Å
32	L	98	Very high	97.8	Very high	19 Å²	19	42.6 Å²	42.6	10%	0.099	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	-47.5	-179.3	-66.2	-172.9	0	0	0	112.1	H25 H27 E30 V45 T46 L48	H25-L32 PolarHBondContact O-N 3.19Å; H27-L32 HydrophobicContact CB-CD1 3.59Å; H27-L32 HydrophobicContact CB-CD2 4.01Å; H27-L32 HydrophobicContact CB-CG 3.74Å; E30-L32 PolarHBondContact O-N 3.31Å; L32-V45 PolarHBondContact O-N 3.37Å; L32-T46 WeakPolarHBondContact CD2-OG1 3.42Å; L32-T46 PolarHBondContact O-N 3.39Å; L32-L48 HydrophobicContact CD2-CB 4.03Å
33	L	98.6	Very high	97.8	Very high	4 Å²	4	48.1 Å²	48.1	2%	0.021	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.2	160.3	-179.5	67.5	155.6	0	0	0	110.7	H25 F42 R43 V52 A53 W56	H25-L33 HydrophobicContact CB-CD2 3.9Å; H25-L33 HydrophobicContact CB-CG 4.26Å; H25-L33 PolarHBondContact N-O 2.96Å; L33-F42 HydrophobicContact CD1-CB 4.14Å; L33-F42 HydrophobicContact CD1-CD1 3.79Å; L33-F42 HydrophobicContact CD1-CG 4.25Å; L33-R43 CarbonylContact C-O 3.55Å; L33-R43 WeakPolarHBondContact CA-O 3.27Å; L33-R43 WeakPolarHBondContact CB-O 3.44Å; L33-V52 HydrophobicContact CD1-CB 4.35Å; L33-V52 HydrophobicContact CD1-CG1 4.01Å; L33-V52 HydrophobicContact CD2-CB 4.19Å; L33-V52 HydrophobicContact CD2-CG1 4.03Å; L33-A53 HydrophobicContact CD1-CB 4.06Å; L33-W56 HydrophobicContact CD1-CE3 3.77Å; L33-W56 HydrophobicContact CD1-CZ3 3.81Å
34	S	98.6	Very high	97.8	Very high	20 Å²	20	49.7 Å²	49.7	14%	0.14	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	150.1	173.5	46.5	0	0	0	0	112.6	E23 E31 F42 R43	E23-S34 CarbonylContact O-C 3.58Å; E23-S34 WeakPolarHBondContact O-CA 3.41Å; E23-S34 WeakPolarHBondContact O-CB 3.39Å; E31-S34 WeakPolarHBondContact OE1-CB 3.07Å; E31-S34 PolarHBondContact OE1-OG 3.39Å; S34-F42 CarbonylContact O-C 3.51Å; S34-F42 WeakPolarHBondContact O-CA 3.46Å; S34-R43 PolarHBondContact N-O 3.32Å; S34-R43 PolarHBondContact O-N 3.17Å
35	F	98.8	Very high	97.8	Very high	0 Å²	0	50 Å²	50	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	127.7	164.2	174.5	-82.9	0	0	0	108.7	L22 E23 G40 F42 L63 R66 R67	L22-F35 WeakPolarHBondContact CA-O 3.02Å; E23-F35 HydrophobicContact CB-CB 4.29Å; E23-F35 PolarHBondContact N-O 3.39Å; E23-F35 PolarHBondContact O-N 2.89Å; F35-G40 VanDerWaalsContact CE2-C 3.42Å; F35-F42 HydrophobicContact CB-CD1 3.59Å; F35-F42 HydrophobicContact CB-CD2 4.39Å; F35-F42 HydrophobicContact CB-CE1 3.44Å; F35-F42 VanDerWaalsContact CB-CE1 3.44Å; F35-F42 HydrophobicContact CB-CE2 4.25Å; F35-F42 HydrophobicContact CB-CG 4.08Å; F35-F42 HydrophobicContact CB-CZ 3.79Å; F35-F42 HydrophobicContact CD2-CD2 4.08Å; F35-F42 AromaticContact CD2-CE2 4Å; F35-F42 HydrophobicContact CD2-CE2 4Å; F35-F42 HydrophobicContact CD2-CG 4.45Å; F35-F42 HydrophobicContact CD2-CZ 4.31Å; F35-F42 HydrophobicContact CG-CE1 4.44Å; F35-F42 HydrophobicContact CG-CE2 4.49Å; F35-F42 HydrophobicContact CG-CZ 4.34Å; F35-L63 HydrophobicContact CD2-CD1 4.31Å; F35-L63 HydrophobicContact CE2-CD1 4.07Å; F35-R66 HydrophobicContact CB-CG 4.13Å; F35-R66 HydrophobicContact CD1-CG 3.39Å; F35-R66 HydrophobicContact CD2-CB 4.21Å; F35-R66 HydrophobicContact CD2-CG 3.59Å; F35-R66 HydrophobicContact CE1-CB 4.36Å; F35-R66 HydrophobicContact CE1-CG 3.54Å; F35-R66 HydrophobicContact CE2-CB 3.98Å; F35-R66 HydrophobicContact CE2-CG 3.72Å; F35-R66 HydrophobicContact CG-CB 4.5Å; F35-R66 HydrophobicContact CG-CG 3.42Å; F35-R66 VanDerWaalsContact CG-CG 3.42Å; F35-R66 HydrophobicContact CZ-CB 4.06Å; F35-R66 HydrophobicContact CZ-CG 3.7Å; F35-R67 HydrophobicContact CE2-CG 4.27Å; F35-R67 HydrophobicContact CZ-CG 3.93Å
36	D	98.6	Very high	97.7	Very high	28 Å²	28	49.9 Å²	49.9	15%	0.15	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	122	172.9	-177	-8.7	0	0	0	108.4	R20 L22 D38 V39 G40	R20-D36 IonicContact CZ-OD1 2.65Å; R20-D36 IonicContact CZ-OD2 2.98Å; R20-D36 VanDerWaalsContact CZ-OD2 3.32Å; R20-D36 IonicContact NE-OD1 3Å; R20-D36 PolarHBondContact NE-OD1 2.92Å; R20-D36 IonicContact NE-OD2 2.8Å; R20-D36 PolarHBondContact NE-OD2 3.42Å; R20-D36 IonicContact NH2-OD1 3.53Å; R20-D36 IonicContact NH2-OD2 2.8Å; R20-D36 PolarHBondContact NH2-OD2 3.34Å; L22-D36 HydrophobicContact CD1-CB 4.15Å; D36-D38 PolarHBondContact O-N 3.16Å; D36-D38 PolarHBondContact OD1-N 3.38Å; D36-V39 HydrophobicContact CB-CB 4.17Å; D36-V39 HydrophobicContact CB-CG2 3.89Å; D36-V39 CarbonylContact O-C 3.4Å; D36-V39 WeakPolarHBondContact O-CA 3.31Å; D36-V39 WeakPolarHBondContact O-CB 3.44Å; D36-V39 PolarHBondContact O-N 3.22Å; D36-G40 PolarHBondContact O-N 3.46Å
37	S	98.4	Very high	97.6	Very high	26 Å²	26	55.3 Å²	55.3	18%	0.182	29%	0.285	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.3	-26.2	-179.6	63.9	0	0	0	0	113.6	R20 L21 V39	R20-S37 WeakPolarHBondContact CA-OG 3.45Å; L21-S37 PolarHBondContact N-OG 3.21Å; L21-S37 PolarHBondContact O-N 3.22Å; L21-S37 PolarHBondContact O-OG 3.19Å; S37-V39 PolarHBondContact O-N 3.08Å
38	D	98.1	Very high	97.6	Very high	84 Å²	84	58 Å²	58	45%	0.449	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.8	-20.1	175.1	-75.7	5.5	0	0	0	111.4	R18 D36	R18-D38 IonicContact CZ-OD2 2.6Å; R18-D38 IonicContact NH2-OD2 3.14Å; R18-D38 PolarHBondContact NH2-OD2 2.86Å; D36-D38 PolarHBondContact O-N 3.16Å; D36-D38 PolarHBondContact OD1-N 3.38Å
39	V	98.3	Very high	97.8	Very high	58 Å²	58	54.6 Å²	54.6	35%	0.352	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.2	-40.4	175.4	-177.6	0	0	0	0	111.3	D36 S37 E41 R43	D36-V39 HydrophobicContact CB-CB 4.17Å; D36-V39 HydrophobicContact CB-CG2 3.89Å; D36-V39 CarbonylContact O-C 3.4Å; D36-V39 WeakPolarHBondContact O-CA 3.31Å; D36-V39 WeakPolarHBondContact O-CB 3.44Å; D36-V39 PolarHBondContact O-N 3.22Å; S37-V39 PolarHBondContact O-N 3.08Å; V39-E41 HydrophobicContact CG1-CG 3.95Å; V39-R43 VanDerWaalsContact CG1-NH2 3.31Å
40	G	98.3	Very high	98	Very high	10 Å²	10	52.7 Å²	52.7	10%	0.103	27%	0.269	C	S	.	.	T	Hydrogen-bonded Turn	trans	81.9	15.5	179	0	0	0	0	0	115	F35 D36 R67	F35-G40 VanDerWaalsContact CE2-C 3.42Å; D36-G40 PolarHBondContact O-N 3.46Å; G40-R67 VanDerWaalsContact O-CZ 3.29Å; G40-R67 PolarHBondContact O-NE 2.89Å; G40-R67 PolarHBondContact O-NH2 3.02Å
41	E	98.6	Very high	98	Very high	71 Å²	71	51.5 Å²	51.5	33%	0.332	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149	161.8	176.5	80.5	-164.6	168.4	0	0	112.8	V39 R43	V39-E41 HydrophobicContact CG1-CG 3.95Å; E41-R43 HydrophobicContact CG-CG 4.23Å; E41-R43 IonicContact OE1-CZ 3.69Å; E41-R43 IonicContact OE1-NE 2.84Å; E41-R43 PolarHBondContact OE1-NE 2.95Å; E41-R43 VanDerWaalsContact OE1-NE 3.14Å; E41-R43 IonicContact OE1-NH2 3.71Å; E41-R43 PolarHBondContact OE1-NH2 3.09Å
42	F	98.7	Very high	98	Very high	3 Å²	3	52.6 Å²	52.6	1%	0.013	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	133.1	171.6	-71.6	-86.8	0	0	0	110.8	E23 L33 S34 F35 A53 W56 N57 F62 L63 R66	E23-F42 WeakPolarHBondContact OE2-CE1 3.43Å; E23-F42 WeakPolarHBondContact OE2-CZ 3.33Å; L33-F42 HydrophobicContact CD1-CB 4.14Å; L33-F42 HydrophobicContact CD1-CD1 3.79Å; L33-F42 HydrophobicContact CD1-CG 4.25Å; S34-F42 CarbonylContact O-C 3.51Å; S34-F42 WeakPolarHBondContact O-CA 3.46Å; F35-F42 HydrophobicContact CB-CD1 3.59Å; F35-F42 HydrophobicContact CB-CD2 4.39Å; F35-F42 HydrophobicContact CB-CE1 3.44Å; F35-F42 VanDerWaalsContact CB-CE1 3.44Å; F35-F42 HydrophobicContact CB-CE2 4.25Å; F35-F42 HydrophobicContact CB-CG 4.08Å; F35-F42 HydrophobicContact CB-CZ 3.79Å; F35-F42 HydrophobicContact CD2-CD2 4.08Å; F35-F42 AromaticContact CD2-CE2 4Å; F35-F42 HydrophobicContact CD2-CE2 4Å; F35-F42 HydrophobicContact CD2-CG 4.45Å; F35-F42 HydrophobicContact CD2-CZ 4.31Å; F35-F42 HydrophobicContact CG-CE1 4.44Å; F35-F42 HydrophobicContact CG-CE2 4.49Å; F35-F42 HydrophobicContact CG-CZ 4.34Å; F42-A53 HydrophobicContact CB-CB 4.13Å; F42-W56 AromaticContact CD1-CE3 3.54Å; F42-W56 HydrophobicContact CD1-CE3 3.54Å; F42-W56 AromaticContact CD1-CZ3 3.89Å; F42-W56 HydrophobicContact CD1-CZ3 3.89Å; F42-W56 HydrophobicContact CD2-CB 3.91Å; F42-W56 HydrophobicContact CD2-CE3 4.05Å; F42-W56 AromaticContact CE1-CE3 3.36Å; F42-W56 HydrophobicContact CE1-CE3 3.36Å; F42-W56 AromaticContact CE1-CZ3 3.47Å; F42-W56 HydrophobicContact CE1-CZ3 3.47Å; F42-W56 VanDerWaalsContact CE1-CZ3 3.47Å; F42-W56 HydrophobicContact CE2-CB 4.26Å; F42-W56 AromaticContact CE2-CE3 3.9Å; F42-W56 HydrophobicContact CE2-CE3 3.9Å; F42-W56 HydrophobicContact CG-CB 4.39Å; F42-W56 AromaticContact CG-CE3 3.88Å; F42-W56 HydrophobicContact CG-CE3 3.88Å; F42-W56 AromaticContact CZ-CE3 3.56Å; F42-W56 HydrophobicContact CZ-CE3 3.56Å; F42-W56 AromaticContact CZ-CZ3 3.95Å; F42-W56 HydrophobicContact CZ-CZ3 3.95Å; F42-N57 PolarHBondContact N-OD1 3.45Å; F42-N57 PolarHBondContact O-ND2 2.86Å; F42-F62 HydrophobicContact CD2-CE1 4.41Å; F42-F62 HydrophobicContact CE2-CD1 4.07Å; F42-F62 AromaticContact CE2-CE1 3.45Å; F42-F62 HydrophobicContact CE2-CE1 3.45Å; F42-F62 VanDerWaalsContact CE2-CE1 3.45Å; F42-F62 HydrophobicContact CE2-CZ 4.26Å; F42-F62 AromaticContact CZ-CE1 3.66Å; F42-F62 HydrophobicContact CZ-CE1 3.66Å; F42-F62 HydrophobicContact CZ-CZ 4.03Å; F42-L63 HydrophobicContact CD2-CD1 3.97Å; F42-L63 HydrophobicContact CE2-CD1 4.21Å; F42-R66 HydrophobicContact CE2-CG 4.37Å; F42-R66 HydrophobicContact CZ-CG 4.09Å
43	R	98.7	Very high	98	Very high	134 Å²	134	52 Å²	52	51%	0.506	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	129	174.1	-69.2	-171.3	170.9	163.5	1.8	110.3	L33 S34 V39 E41	L33-R43 CarbonylContact C-O 3.55Å; L33-R43 WeakPolarHBondContact CA-O 3.27Å; L33-R43 WeakPolarHBondContact CB-O 3.44Å; S34-R43 PolarHBondContact N-O 3.32Å; S34-R43 PolarHBondContact O-N 3.17Å; V39-R43 VanDerWaalsContact CG1-NH2 3.31Å; E41-R43 HydrophobicContact CG-CG 4.23Å; E41-R43 IonicContact OE1-CZ 3.69Å; E41-R43 IonicContact OE1-NE 2.84Å; E41-R43 PolarHBondContact OE1-NE 2.95Å; E41-R43 VanDerWaalsContact OE1-NE 3.14Å; E41-R43 IonicContact OE1-NH2 3.71Å; E41-R43 PolarHBondContact OE1-NH2 3.09Å
44	A	98.4	Very high	98	Very high	41 Å²	41	57.5 Å²	57.5	34%	0.339	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.3	134.2	173.4	0	0	0	0	0	110.4	R50 A53	A44-R50 HydrophobicContact CB-CB 4.2Å; A44-A53 HydrophobicContact CB-CB 4.29Å
45	V	97.9	Very high	98	Very high	83 Å²	83	59.3 Å²	59.3	50%	0.503	32%	0.315	S	S	.	.	S	Bend	trans	-91.8	-32.3	171.4	178.4	0	0	0	0	109.9	E31 L32	E31-V45 HydrophobicContact CB-CG1 4.43Å; E31-V45 HydrophobicContact CG-CB 4.31Å; E31-V45 HydrophobicContact CG-CG2 3.89Å; L32-V45 PolarHBondContact O-N 3.37Å
46	T	97.3	Very high	98	Very high	26 Å²	26	62.1 Å²	62.1	16%	0.16	33%	0.325	C	S	.	.	S	Bend	trans	-122.9	162.6	177.1	67.2	0	0	0	0	111.2	E30 E31 L32 L48 G49 R50	E30-T46 HydrophobicContact CG-CG2 4.03Å; E30-T46 VanDerWaalsContact OE1-CG2 3.27Å; E30-T46 WeakPolarHBondContact OE1-CG2 3.49Å; E31-T46 VanDerWaalsContact O-CG2 3.26Å; E31-T46 WeakPolarHBondContact O-CG2 3.28Å; L32-T46 WeakPolarHBondContact CD2-OG1 3.42Å; L32-T46 PolarHBondContact O-N 3.39Å; T46-L48 PolarHBondContact O-N 2.63Å; T46-G49 PolarHBondContact O-N 3.37Å; T46-G49 PolarHBondContact OG1-N 3.42Å; T46-R50 PolarHBondContact O-N 3.42Å
47	E	96.6	Very high	98	Very high	134 Å²	134	62.9 Å²	62.9	63%	0.626	33%	0.329	S	S	*	.	G	3₁₀ helix	trans	-61.1	-30.4	176.6	-67.7	-56.2	140.4	0	0	112.9	G49 R50	E47-G49 VanDerWaalsContact C-N 3.29Å; E47-G49 PolarHBondContact O-N 3.48Å; E47-R50 VanDerWaalsContact CD-NH2 3.29Å; E47-R50 WeakPolarHBondContact O-CB 3.44Å; E47-R50 PolarHBondContact O-N 2.66Å; E47-R50 IonicContact OE1-CZ 2.77Å; E47-R50 IonicContact OE1-NH2 2.91Å; E47-R50 PolarHBondContact OE1-NH2 2.97Å; E47-R50 IonicContact OE2-CZ 3.25Å; E47-R50 IonicContact OE2-NE 3.63Å; E47-R50 PolarHBondContact OE2-NE 3.23Å; E47-R50 IonicContact OE2-NH2 3.83Å; E47-R50 PolarHBondContact OE2-NH2 2.95Å
48	L	94.7	Very high	98	Very high	119 Å²	119	65.8 Å²	65.8	62%	0.623	35%	0.35	S	S	*	.	G	3₁₀ helix	trans	-65.7	-32.2	175.1	-72.2	170.3	0	0	0	112.3	L32 T46 P51	L32-L48 HydrophobicContact CD2-CB 4.03Å; T46-L48 PolarHBondContact O-N 2.63Å; L48-P51 WeakPolarHBondContact O-CD 3.09Å
49	G	97.6	Very high	98	Very high	0 Å²	0	66.2 Å²	66.2	0%	0	35%	0.349	C	S	.	.	G	3₁₀ helix	trans	-77.2	-18	178	0	0	0	0	0	114.5	T46 E47 V52 A53	T46-G49 PolarHBondContact O-N 3.37Å; T46-G49 PolarHBondContact OG1-N 3.42Å; E47-G49 VanDerWaalsContact C-N 3.29Å; E47-G49 PolarHBondContact O-N 3.48Å; G49-V52 PolarHBondContact O-N 2.04Å; G49-A53 PolarHBondContact O-N 3.01Å
50	R	98.5	Very high	98	Very high	114 Å²	114	71.3 Å²	71.3	43%	0.43	37%	0.367	S	S	.	.	H	α-helix	trans	-54.6	-55.3	-177.3	-174.6	-173.3	-60.6	-80.8	-1.4	113.8	A44 T46 E47 V52 A53 E54	A44-R50 HydrophobicContact CB-CB 4.2Å; T46-R50 PolarHBondContact O-N 3.42Å; E47-R50 VanDerWaalsContact CD-NH2 3.29Å; E47-R50 WeakPolarHBondContact O-CB 3.44Å; E47-R50 PolarHBondContact O-N 2.66Å; E47-R50 IonicContact OE1-CZ 2.77Å; E47-R50 IonicContact OE1-NH2 2.91Å; E47-R50 PolarHBondContact OE1-NH2 2.97Å; E47-R50 IonicContact OE2-CZ 3.25Å; E47-R50 IonicContact OE2-NE 3.63Å; E47-R50 PolarHBondContact OE2-NE 3.23Å; E47-R50 IonicContact OE2-NH2 3.83Å; E47-R50 PolarHBondContact OE2-NH2 2.95Å; R50-V52 PolarHBondContact O-N 2.91Å; R50-A53 PolarHBondContact O-N 3.12Å; R50-E54 WeakPolarHBondContact CG-OE1 3.45Å; R50-E54 WeakPolarHBondContact O-CG 3.32Å; R50-E54 PolarHBondContact O-N 3.32Å
51	P	98.3	Very high	98	Very high	80 Å²	80	77.3 Å²	77.3	52%	0.519	40%	0.396	S	S	.	.	H	α-helix	trans	-62.8	-30.6	-179.7	24.5	-35.4	0	0	0	112.9	L48 S55	L48-P51 WeakPolarHBondContact O-CD 3.09Å; P51-S55 WeakPolarHBondContact O-CB 3.24Å; P51-S55 PolarHBondContact O-N 3Å; P51-S55 VanDerWaalsContact O-N 3.07Å
52	V	97.6	Very high	98	Very high	50 Å²	50	76.9 Å²	76.9	30%	0.303	39%	0.393	S	S	.	.	H	α-helix	trans	-70.9	-47.8	177.9	-174.6	0	0	0	0	110.4	L33 G49 R50 E54 S55 W56	L33-V52 HydrophobicContact CD1-CB 4.35Å; L33-V52 HydrophobicContact CD1-CG1 4.01Å; L33-V52 HydrophobicContact CD2-CB 4.19Å; L33-V52 HydrophobicContact CD2-CG1 4.03Å; G49-V52 PolarHBondContact O-N 2.04Å; R50-V52 PolarHBondContact O-N 2.91Å; V52-E54 PolarHBondContact O-N 3.29Å; V52-S55 PolarHBondContact O-N 3.47Å; V52-W56 HydrophobicContact CG1-CD2 3.96Å; V52-W56 HydrophobicContact CG1-CE3 4.4Å; V52-W56 HydrophobicContact CG1-CG 4.43Å; V52-W56 HydrophobicContact CG1-CH2 4.26Å; V52-W56 HydrophobicContact CG1-CZ2 3.8Å; V52-W56 WeakPolarHBondContact O-CB 3.42Å; V52-W56 PolarHBondContact O-N 3.12Å
53	A	98.5	Very high	98	Very high	6 Å²	6	77.3 Å²	77.3	5%	0.05	40%	0.396	C	S	.	.	H	α-helix	trans	-60.6	-44	178	0	0	0	0	0	111.7	L33 F42 A44 G49 R50 W56 N57	L33-A53 HydrophobicContact CD1-CB 4.06Å; F42-A53 HydrophobicContact CB-CB 4.13Å; A44-A53 HydrophobicContact CB-CB 4.29Å; G49-A53 PolarHBondContact O-N 3.01Å; R50-A53 PolarHBondContact O-N 3.12Å; A53-W56 PolarHBondContact O-N 3.31Å; A53-N57 VanDerWaalsContact O-CB 3.3Å; A53-N57 WeakPolarHBondContact O-CB 3.32Å; A53-N57 PolarHBondContact O-N 3.34Å; A53-N57 PolarHBondContact O-ND2 2.83Å
54	E	98.5	Very high	98	Very high	120 Å²	120	75.6 Å²	75.6	56%	0.561	39%	0.394	S	S	*	.	H	α-helix	trans	-61.3	-45.9	175.9	-72.6	173.1	-171.9	0	0	111.8	R50 V52 W56 N57 S58	R50-E54 WeakPolarHBondContact CG-OE1 3.45Å; R50-E54 WeakPolarHBondContact O-CG 3.32Å; R50-E54 PolarHBondContact O-N 3.32Å; V52-E54 PolarHBondContact O-N 3.29Å; E54-W56 PolarHBondContact O-N 2.89Å; E54-N57 PolarHBondContact O-N 2.97Å; E54-S58 WeakPolarHBondContact O-CB 3.47Å; E54-S58 PolarHBondContact O-N 3.34Å
55	S	98.5	Very high	98	Very high	59 Å²	59	79.1 Å²	79.1	41%	0.413	41%	0.407	S	S	.	.	H	α-helix	trans	-61.1	-45	177.4	179.3	0	0	0	0	112	P51 V52 S58 Q59	P51-S55 WeakPolarHBondContact O-CB 3.24Å; P51-S55 PolarHBondContact O-N 3Å; P51-S55 VanDerWaalsContact O-N 3.07Å; V52-S55 PolarHBondContact O-N 3.47Å; S55-S58 PolarHBondContact O-N 2.8Å; S55-S58 PolarHBondContact O-OG 2.87Å; S55-Q59 PolarHBondContact O-N 2.97Å; S55-Q59 PolarHBondContact O-NE2 3.04Å
56	W	98.4	Very high	98	Very high	58 Å²	58	78 Å²	78	22%	0.22	39%	0.393	C	S	.	.	H	α-helix	trans	-70.6	-40	-179.3	-71.6	5.5	0	0	0	112.5	H25 L33 F42 V52 A53 E54 S58 Q59 F62	H25-W56 AromaticContact CD2-CH2 3.99Å; H25-W56 AromaticContact CD2-CZ3 3.68Å; H25-W56 AromaticContact CE1-CH2 3.53Å; H25-W56 AromaticContact CE1-CZ3 3.84Å; H25-W56 AromaticContact ND1-CH2 3.84Å; H25-W56 AromaticContact NE2-CH2 3.62Å; H25-W56 AromaticContact NE2-CZ3 3.42Å; H25-W56 WeakPolarHBondContact NE2-CZ3 3.41Å; L33-W56 HydrophobicContact CD1-CE3 3.77Å; L33-W56 HydrophobicContact CD1-CZ3 3.81Å; F42-W56 AromaticContact CD1-CE3 3.54Å; F42-W56 HydrophobicContact CD1-CE3 3.54Å; F42-W56 AromaticContact CD1-CZ3 3.89Å; F42-W56 HydrophobicContact CD1-CZ3 3.89Å; F42-W56 HydrophobicContact CD2-CB 3.91Å; F42-W56 HydrophobicContact CD2-CE3 4.05Å; F42-W56 AromaticContact CE1-CE3 3.36Å; F42-W56 HydrophobicContact CE1-CE3 3.36Å; F42-W56 AromaticContact CE1-CZ3 3.47Å; F42-W56 HydrophobicContact CE1-CZ3 3.47Å; F42-W56 VanDerWaalsContact CE1-CZ3 3.47Å; F42-W56 HydrophobicContact CE2-CB 4.26Å; F42-W56 AromaticContact CE2-CE3 3.9Å; F42-W56 HydrophobicContact CE2-CE3 3.9Å; F42-W56 HydrophobicContact CG-CB 4.39Å; F42-W56 AromaticContact CG-CE3 3.88Å; F42-W56 HydrophobicContact CG-CE3 3.88Å; F42-W56 AromaticContact CZ-CE3 3.56Å; F42-W56 HydrophobicContact CZ-CE3 3.56Å; F42-W56 AromaticContact CZ-CZ3 3.95Å; F42-W56 HydrophobicContact CZ-CZ3 3.95Å; V52-W56 HydrophobicContact CG1-CD2 3.96Å; V52-W56 HydrophobicContact CG1-CE3 4.4Å; V52-W56 HydrophobicContact CG1-CG 4.43Å; V52-W56 HydrophobicContact CG1-CH2 4.26Å; V52-W56 HydrophobicContact CG1-CZ2 3.8Å; V52-W56 WeakPolarHBondContact O-CB 3.42Å; V52-W56 PolarHBondContact O-N 3.12Å; A53-W56 PolarHBondContact O-N 3.31Å; E54-W56 PolarHBondContact O-N 2.89Å; W56-S58 PolarHBondContact O-N 2.92Å; W56-Q59 PolarHBondContact O-N 2.67Å; W56-Q59 VanDerWaalsContact O-N 3.12Å; W56-F62 HydrophobicContact CB-CD1 4.02Å; W56-F62 HydrophobicContact CB-CE1 3.84Å; W56-F62 AromaticContact CD2-CE1 3.67Å; W56-F62 HydrophobicContact CD2-CE1 3.67Å; W56-F62 HydrophobicContact CD2-CZ 4.23Å; W56-F62 AromaticContact CE3-CE1 3.79Å; W56-F62 HydrophobicContact CE3-CE1 3.79Å; W56-F62 HydrophobicContact CE3-CZ 4.22Å; W56-F62 HydrophobicContact CG-CD1 4.2Å; W56-F62 AromaticContact CG-CE1 3.72Å; W56-F62 HydrophobicContact CG-CE1 3.72Å
57	N	98.7	Very high	98.1	Very high	44 Å²	44	81.6 Å²	81.6	24%	0.235	40%	0.404	C	S	.	.	H	α-helix	trans	-66.6	-25.3	175.7	-71.6	-24.2	0	0	0	112.7	F42 A53 E54 Q59 L63	F42-N57 PolarHBondContact N-OD1 3.45Å; F42-N57 PolarHBondContact O-ND2 2.86Å; A53-N57 VanDerWaalsContact O-CB 3.3Å; A53-N57 WeakPolarHBondContact O-CB 3.32Å; A53-N57 PolarHBondContact O-N 3.34Å; A53-N57 PolarHBondContact O-ND2 2.83Å; E54-N57 PolarHBondContact O-N 2.97Å; N57-Q59 VanDerWaalsContact C-N 3.31Å; N57-L63 WeakPolarHBondContact OD1-CD1 3.05Å
58	S	98.4	Very high	98.1	Very high	87 Å²	87	77.2 Å²	77.2	61%	0.608	39%	0.39	S	S	*	.	H	α-helix	trans	-74.1	-21.8	174.5	79.1	0	0	0	0	113.5	E54 S55 W56 K60	E54-S58 WeakPolarHBondContact O-CB 3.47Å; E54-S58 PolarHBondContact O-N 3.34Å; S55-S58 PolarHBondContact O-N 2.8Å; S55-S58 PolarHBondContact O-OG 2.87Å; W56-S58 PolarHBondContact O-N 2.92Å; S58-K60 PolarHBondContact O-N 2.82Å
59	Q	98.6	Very high	98.3	Very high	94 Å²	94	72.1 Å²	72.1	44%	0.439	37%	0.365	S	S	.	.			trans	-88	91.4	179.1	-70	173.9	80.4	0	0	109.9	S55 W56 N57 D61 F62 L63	S55-Q59 PolarHBondContact O-N 2.97Å; S55-Q59 PolarHBondContact O-NE2 3.04Å; W56-Q59 PolarHBondContact O-N 2.67Å; W56-Q59 VanDerWaalsContact O-N 3.12Å; N57-Q59 VanDerWaalsContact C-N 3.31Å; Q59-D61 PolarHBondContact O-N 3.45Å; Q59-F62 HydrophobicContact CB-CB 3.95Å; Q59-F62 PolarHBondContact O-N 2.82Å; Q59-L63 PolarHBondContact O-N 3.44Å
60	K	97.8	Very high	98.4	Very high	165 Å²	165	72.8 Å²	72.8	72%	0.717	37%	0.369	S	S	*	.	H	α-helix	trans	-54.9	-48	-173.5	-67.7	-173.6	177.6	-178.4	0	113.5	S58 F62 L63 E64	S58-K60 PolarHBondContact O-N 2.82Å; K60-F62 VanDerWaalsContact C-N 3.31Å; K60-F62 PolarHBondContact O-N 2.85Å; K60-L63 PolarHBondContact O-N 2.91Å; K60-L63 VanDerWaalsContact O-N 3.16Å; K60-E64 WeakPolarHBondContact O-CG 3.43Å; K60-E64 PolarHBondContact O-N 2.9Å
61	D	98.3	Very high	98.3	Very high	135 Å²	135	71.6 Å²	71.6	72%	0.722	37%	0.372	S	S	*	.	H	α-helix	trans	-61.8	-42.3	-177.3	-57.7	-18.2	0	0	0	111	Q59 L63 E64 D65	Q59-D61 PolarHBondContact O-N 3.45Å; D61-L63 PolarHBondContact O-N 2.91Å; D61-E64 PolarHBondContact O-N 2.81Å; D61-D65 WeakPolarHBondContact O-CB 3.36Å; D61-D65 VanDerWaalsContact O-CG 3.31Å; D61-D65 PolarHBondContact O-N 3.27Å
62	F	98.2	Very high	98.3	Very high	62 Å²	62	72.4 Å²	72.4	27%	0.272	38%	0.376	S	S	.	.	H	α-helix	trans	-64	-39.8	176.2	-179.7	-110.8	0	0	0	112.7	F42 W56 Q59 K60 R66	F42-F62 HydrophobicContact CD2-CE1 4.41Å; F42-F62 HydrophobicContact CE2-CD1 4.07Å; F42-F62 AromaticContact CE2-CE1 3.45Å; F42-F62 HydrophobicContact CE2-CE1 3.45Å; F42-F62 VanDerWaalsContact CE2-CE1 3.45Å; F42-F62 HydrophobicContact CE2-CZ 4.26Å; F42-F62 AromaticContact CZ-CE1 3.66Å; F42-F62 HydrophobicContact CZ-CE1 3.66Å; F42-F62 HydrophobicContact CZ-CZ 4.03Å; W56-F62 HydrophobicContact CB-CD1 4.02Å; W56-F62 HydrophobicContact CB-CE1 3.84Å; W56-F62 AromaticContact CD2-CE1 3.67Å; W56-F62 HydrophobicContact CD2-CE1 3.67Å; W56-F62 HydrophobicContact CD2-CZ 4.23Å; W56-F62 AromaticContact CE3-CE1 3.79Å; W56-F62 HydrophobicContact CE3-CE1 3.79Å; W56-F62 HydrophobicContact CE3-CZ 4.22Å; W56-F62 HydrophobicContact CG-CD1 4.2Å; W56-F62 AromaticContact CG-CE1 3.72Å; W56-F62 HydrophobicContact CG-CE1 3.72Å; Q59-F62 HydrophobicContact CB-CB 3.95Å; Q59-F62 PolarHBondContact O-N 2.82Å; K60-F62 VanDerWaalsContact C-N 3.31Å; K60-F62 PolarHBondContact O-N 2.85Å; F62-R66 PolarHBondContact O-N 2.84Å; F62-R66 VanDerWaalsContact O-N 3.12Å
63	L	98.4	Very high	98.3	Very high	13 Å²	13	75.7 Å²	75.7	7%	0.068	38%	0.383	C	S	.	.	H	α-helix	trans	-68.8	-40.8	178.4	-163.4	62.9	0	0	0	112	F35 F42 N57 Q59 K60 D61 R66 R67	F35-L63 HydrophobicContact CD2-CD1 4.31Å; F35-L63 HydrophobicContact CE2-CD1 4.07Å; F42-L63 HydrophobicContact CD2-CD1 3.97Å; F42-L63 HydrophobicContact CE2-CD1 4.21Å; N57-L63 WeakPolarHBondContact OD1-CD1 3.05Å; Q59-L63 PolarHBondContact O-N 3.44Å; K60-L63 PolarHBondContact O-N 2.91Å; K60-L63 VanDerWaalsContact O-N 3.16Å; D61-L63 PolarHBondContact O-N 2.91Å; L63-R66 PolarHBondContact O-N 3.41Å; L63-R67 VanDerWaalsContact CD2-NH2 3.31Å; L63-R67 VanDerWaalsContact O-CG 3.28Å; L63-R67 WeakPolarHBondContact O-CG 3.09Å; L63-R67 PolarHBondContact O-N 2.81Å
64	E	98.4	Very high	98.3	Very high	98 Å²	98	75.5 Å²	75.5	46%	0.458	38%	0.381	S	S	.	.	H	α-helix	trans	-65.7	-41.5	175.3	-70.3	-54.2	136.6	0	0	111.8	K60 D61 R66 R67 A68	K60-E64 WeakPolarHBondContact O-CG 3.43Å; K60-E64 PolarHBondContact O-N 2.9Å; D61-E64 PolarHBondContact O-N 2.81Å; E64-R66 PolarHBondContact O-N 2.7Å; E64-R67 WeakPolarHBondContact O-CB 3.46Å; E64-R67 PolarHBondContact O-N 3.37Å; E64-R67 VanDerWaalsContact O-N 3.17Å; E64-R67 IonicContact OE1-CZ 3.06Å; E64-R67 IonicContact OE1-NE 3.17Å; E64-R67 IonicContact OE1-NH1 3.53Å; E64-R67 PolarHBondContact OE1-NH1 3.06Å; E64-A68 WeakPolarHBondContact O-CB 3.3Å; E64-A68 PolarHBondContact O-N 3.22Å
65	D	98.4	Very high	98.2	Very high	114 Å²	114	73.2 Å²	73.2	61%	0.61	37%	0.368	S	S	*	.	H	α-helix	trans	-57.4	-41.6	173.5	-77.5	-13.4	0	0	0	111.1	D61 A68 A69	D61-D65 WeakPolarHBondContact O-CB 3.36Å; D61-D65 VanDerWaalsContact O-CG 3.31Å; D61-D65 PolarHBondContact O-N 3.27Å; D65-A68 PolarHBondContact O-N 2.84Å; D65-A69 PolarHBondContact O-N 3.49Å; D65-A69 VanDerWaalsContact O-N 3.08Å
66	R	98.2	Very high	98	Very high	60 Å²	60	76.3 Å²	76.3	23%	0.226	38%	0.375	C	S	.	.	H	α-helix	trans	-70.3	-35.7	178.5	-164.8	59.3	59.8	152.8	20.9	112.8	E23 F35 F42 F62 L63 E64 A69	E23-R66 IonicContact OE1-CZ 2.85Å; E23-R66 IonicContact OE1-NH1 3.32Å; E23-R66 PolarHBondContact OE1-NH1 3.21Å; E23-R66 IonicContact OE1-NH2 3.43Å; E23-R66 PolarHBondContact OE1-NH2 3.46Å; E23-R66 VanDerWaalsContact OE2-CD 3.27Å; E23-R66 WeakPolarHBondContact OE2-CD 3.47Å; E23-R66 IonicContact OE2-CZ 3.66Å; E23-R66 IonicContact OE2-NE 2.7Å; E23-R66 PolarHBondContact OE2-NE 3.49Å; E23-R66 IonicContact OE2-NH1 4Å; E23-R66 PolarHBondContact OE2-NH1 2.87Å; E23-R66 IonicContact OE2-NH2 2.66Å; E23-R66 PolarHBondContact OE2-NH2 3.22Å; F35-R66 HydrophobicContact CB-CG 4.13Å; F35-R66 HydrophobicContact CD1-CG 3.39Å; F35-R66 HydrophobicContact CD2-CB 4.21Å; F35-R66 HydrophobicContact CD2-CG 3.59Å; F35-R66 HydrophobicContact CE1-CB 4.36Å; F35-R66 HydrophobicContact CE1-CG 3.54Å; F35-R66 HydrophobicContact CE2-CB 3.98Å; F35-R66 HydrophobicContact CE2-CG 3.72Å; F35-R66 HydrophobicContact CG-CB 4.5Å; F35-R66 HydrophobicContact CG-CG 3.42Å; F35-R66 VanDerWaalsContact CG-CG 3.42Å; F35-R66 HydrophobicContact CZ-CB 4.06Å; F35-R66 HydrophobicContact CZ-CG 3.7Å; F42-R66 HydrophobicContact CE2-CG 4.37Å; F42-R66 HydrophobicContact CZ-CG 4.09Å; F62-R66 PolarHBondContact O-N 2.84Å; F62-R66 VanDerWaalsContact O-N 3.12Å; L63-R66 PolarHBondContact O-N 3.41Å; E64-R66 PolarHBondContact O-N 2.7Å; R66-A69 WeakPolarHBondContact O-CB 3.32Å; R66-A69 PolarHBondContact O-N 2.92Å
67	R	98.5	Very high	97.8	Very high	102 Å²	102	76.5 Å²	76.5	39%	0.385	38%	0.381	S	S	.	.	H	α-helix	trans	-64.2	-42.1	172.1	-71.1	164.8	179.9	179.5	-2.5	111.4	F35 G40 L63 E64 A69	F35-R67 HydrophobicContact CE2-CG 4.27Å; F35-R67 HydrophobicContact CZ-CG 3.93Å; G40-R67 VanDerWaalsContact O-CZ 3.29Å; G40-R67 PolarHBondContact O-NE 2.89Å; G40-R67 PolarHBondContact O-NH2 3.02Å; L63-R67 VanDerWaalsContact CD2-NH2 3.31Å; L63-R67 VanDerWaalsContact O-CG 3.28Å; L63-R67 WeakPolarHBondContact O-CG 3.09Å; L63-R67 PolarHBondContact O-N 2.81Å; E64-R67 WeakPolarHBondContact O-CB 3.46Å; E64-R67 PolarHBondContact O-N 3.37Å; E64-R67 VanDerWaalsContact O-N 3.17Å; E64-R67 IonicContact OE1-CZ 3.06Å; E64-R67 IonicContact OE1-NE 3.17Å; E64-R67 IonicContact OE1-NH1 3.53Å; E64-R67 PolarHBondContact OE1-NH1 3.06Å; R67-A69 VanDerWaalsContact C-N 3.26Å; R67-A69 PolarHBondContact O-N 2.78Å
68	A	98.6	Very high	97.6	Very high	41 Å²	41	76.5 Å²	76.5	34%	0.339	38%	0.378	S	S	.	.	H	α-helix	trans	-69.7	-21.4	178.6	0	0	0	0	0	113.4	E64 D65 V70 D71 T72	E64-A68 WeakPolarHBondContact O-CB 3.3Å; E64-A68 PolarHBondContact O-N 3.22Å; D65-A68 PolarHBondContact O-N 2.84Å; A68-V70 PolarHBondContact O-N 2.77Å; A68-V70 VanDerWaalsContact O-N 3.09Å; A68-D71 PolarHBondContact O-N 2.77Å; A68-T72 HydrophobicContact CB-CG2 4.43Å; A68-T72 PolarHBondContact O-N 2.9Å; A68-T72 PolarHBondContact O-OG1 2.91Å
69	A	98.4	Very high	97.3	Very high	12 Å²	12	74.2 Å²	74.2	10%	0.099	37%	0.367	C	S	.	.	H	α-helix	trans	-61.4	-18.2	-178.3	0	0	0	0	0	114.5	L21 D65 R66 R67 D71 T72 Y73 C74	L21-A69 HydrophobicContact CD2-CB 3.47Å; L21-A69 VanDerWaalsContact CD2-CB 3.47Å; D65-A69 PolarHBondContact O-N 3.49Å; D65-A69 VanDerWaalsContact O-N 3.08Å; R66-A69 WeakPolarHBondContact O-CB 3.32Å; R66-A69 PolarHBondContact O-N 2.92Å; R67-A69 VanDerWaalsContact C-N 3.26Å; R67-A69 PolarHBondContact O-N 2.78Å; A69-D71 VanDerWaalsContact C-N 3.26Å; A69-D71 PolarHBondContact O-N 3.25Å; A69-T72 WeakPolarHBondContact CA-OG1 3.44Å; A69-Y73 WeakPolarHBondContact O-CA 3.18Å; A69-Y73 VanDerWaalsContact O-CB 3.27Å; A69-Y73 WeakPolarHBondContact O-CB 3.42Å; A69-Y73 PolarHBondContact O-N 2.83Å; A69-C74 PolarHBondContact O-N 3.4Å
70	V	98.4	Very high	96.9	Very high	14 Å²	14	71.8 Å²	71.8	9%	0.085	36%	0.364	C	S	.	.	I	π-helix	trans	-59.5	-41.3	170	-173	0	0	0	0	110.8	V19 L21 A68 C74 R75	V19-V70 HydrophobicContact CB-CG1 3.78Å; V19-V70 HydrophobicContact CG1-CG1 3.87Å; V19-V70 WeakPolarHBondContact O-CG1 3.37Å; L21-V70 HydrophobicContact CB-CG2 4.09Å; A68-V70 PolarHBondContact O-N 2.77Å; A68-V70 VanDerWaalsContact O-N 3.09Å; V70-C74 VanDerWaalsContact O-CB 3.31Å; V70-C74 WeakPolarHBondContact O-CB 3.32Å; V70-R75 PolarHBondContact O-N 2.82Å
71	D	98.2	Very high	96.5	Very high	90 Å²	90	68.1 Å²	68.1	48%	0.481	36%	0.355	S	S	.	.	I	π-helix	trans	-86.4	-52.1	178.7	-74.5	-60.3	0	0	0	112	A68 A69 Y73 R75 H76	A68-D71 PolarHBondContact O-N 2.77Å; A69-D71 VanDerWaalsContact C-N 3.26Å; A69-D71 PolarHBondContact O-N 3.25Å; D71-Y73 VanDerWaalsContact C-N 3.31Å; D71-Y73 PolarHBondContact O-N 3.09Å; D71-R75 WeakPolarHBondContact OD1-CD 3.41Å; D71-R75 IonicContact OD1-CZ 3.49Å; D71-R75 IonicContact OD1-NE 3.76Å; D71-R75 IonicContact OD1-NH1 2.63Å; D71-R75 PolarHBondContact OD1-NH1 3.17Å; D71-R75 IonicContact OD2-NH1 3.42Å; D71-R75 PolarHBondContact OD2-NH1 2.85Å; D71-H76 PolarHBondContact O-N 2.68Å
72	T	97.8	Very high	95.8	Very high	97 Å²	97	64.5 Å²	64.5	60%	0.595	33%	0.334	S	S	*	.	I	π-helix	trans	-73.4	-24.7	-169.8	63	0	0	0	0	113.1	A68 A69 H76	A68-T72 HydrophobicContact CB-CG2 4.43Å; A68-T72 PolarHBondContact O-N 2.9Å; A68-T72 PolarHBondContact O-OG1 2.91Å; A69-T72 WeakPolarHBondContact CA-OG1 3.44Å; T72-H76 VanDerWaalsContact O-CB 3.25Å; T72-H76 WeakPolarHBondContact O-CB 3.44Å
73	Y	96.9	Very high	94.9	Very high	119 Å²	119	65.3 Å²	65.3	47%	0.467	35%	0.347	S	S	.	.	I	π-helix	trans	-112.2	-60.7	178	-179.3	-98.3	0	0	0	111.8	A69 D71 N77	A69-Y73 WeakPolarHBondContact O-CA 3.18Å; A69-Y73 VanDerWaalsContact O-CB 3.27Å; A69-Y73 WeakPolarHBondContact O-CB 3.42Å; A69-Y73 PolarHBondContact O-N 2.83Å; D71-Y73 VanDerWaalsContact C-N 3.31Å; D71-Y73 PolarHBondContact O-N 3.09Å; Y73-N77 VanDerWaalsContact CD2-ND2 3.29Å; Y73-N77 WeakPolarHBondContact CD2-ND2 3.38Å; Y73-N77 WeakPolarHBondContact CE2-ND2 3.41Å; Y73-N77 VanDerWaalsContact O-CB 3.23Å; Y73-N77 WeakPolarHBondContact O-CB 3.41Å; Y73-N77 PolarHBondContact O-N 3.25Å; Y73-N77 PolarHBondContact O-ND2 3.34Å
74	C	97.8	Very high	93.9	Very high	1 Å²	1	73.1 Å²	73.1	1%	0.007	38%	0.381	C	S	.	.	I	π-helix	trans	-66.7	-56.8	-171.6	-64.6	0	0	0	0	112.8	C10 F12 V19 A69 V70 N77 Y78	C10-C74 HydrophobicContact CB-CB 3.64Å; C10-C74 WeakPolarHBondContact CB-SG 3.22Å; C10-C74 WeakPolarHBondContact SG-CA 3.27Å; C10-C74 WeakPolarHBondContact SG-CB 3.47Å; C10-C74 CovalentContact SG-SG 2.04Å; C10-C74 PolarHBondContact SG-SG 2.82Å; F12-C74 HydrophobicContact CE1-CB 4.25Å; F12-C74 HydrophobicContact CZ-CB 4.06Å; F12-C74 WeakPolarHBondContact CZ-O 3.46Å; V19-C74 HydrophobicContact CG1-CB 3.56Å; A69-C74 PolarHBondContact O-N 3.4Å; V70-C74 VanDerWaalsContact O-CB 3.31Å; V70-C74 WeakPolarHBondContact O-CB 3.32Å; C74-N77 PolarHBondContact O-N 3.07Å; C74-Y78 WeakPolarHBondContact O-CB 3.39Å; C74-Y78 PolarHBondContact O-N 3.43Å
75	R	96.9	Very high	93	Very high	72 Å²	72	71.9 Å²	71.9	27%	0.272	38%	0.38	S	S	.	.	I	π-helix	trans	-65.2	-41	179.4	-70.4	-171.3	-175.4	91.8	1.7	112.1	T16 V19 V70 D71 N77 Y78 G79	T16-R75 HydrophobicContact CG2-CG 4.49Å; T16-R75 PolarHBondContact O-NE 2.94Å; V19-R75 HydrophobicContact CB-CG 4.45Å; V19-R75 HydrophobicContact CG2-CG 3.85Å; V70-R75 PolarHBondContact O-N 2.82Å; D71-R75 WeakPolarHBondContact OD1-CD 3.41Å; D71-R75 IonicContact OD1-CZ 3.49Å; D71-R75 IonicContact OD1-NE 3.76Å; D71-R75 IonicContact OD1-NH1 2.63Å; D71-R75 PolarHBondContact OD1-NH1 3.17Å; D71-R75 IonicContact OD2-NH1 3.42Å; D71-R75 PolarHBondContact OD2-NH1 2.85Å; R75-N77 PolarHBondContact O-N 2.9Å; R75-Y78 PolarHBondContact O-N 3.01Å; R75-G79 PolarHBondContact O-N 2.78Å
76	H	95.3	Very high	91.7	Very high	124 Å²	124	73 Å²	73	57%	0.574	39%	0.391	S	S	*	.	H	α-helix	trans	-55.1	-52.5	175.7	179.8	72	0	0	0	112.1	D71 T72 Y78 G79 A80	D71-H76 PolarHBondContact O-N 2.68Å; T72-H76 VanDerWaalsContact O-CB 3.25Å; T72-H76 WeakPolarHBondContact O-CB 3.44Å; H76-Y78 PolarHBondContact O-N 2.91Å; H76-G79 PolarHBondContact O-N 3.27Å; H76-A80 PolarHBondContact O-N 3.21Å
77	N	94.4	Very high	90.3	Very high	62 Å²	62	75.3 Å²	75.3	33%	0.332	40%	0.404	S	S	.	.	H	α-helix	trans	-68.6	-35.8	-179.4	-71.1	-22.9	0	0	0	112.3	Y73 C74 R75 A80 V81	Y73-N77 VanDerWaalsContact CD2-ND2 3.29Å; Y73-N77 WeakPolarHBondContact CD2-ND2 3.38Å; Y73-N77 WeakPolarHBondContact CE2-ND2 3.41Å; Y73-N77 VanDerWaalsContact O-CB 3.23Å; Y73-N77 WeakPolarHBondContact O-CB 3.41Å; Y73-N77 PolarHBondContact O-N 3.25Å; Y73-N77 PolarHBondContact O-ND2 3.34Å; C74-N77 PolarHBondContact O-N 3.07Å; R75-N77 PolarHBondContact O-N 2.9Å; N77-A80 PolarHBondContact O-N 3Å; N77-V81 WeakPolarHBondContact O-CG2 3.36Å; N77-V81 PolarHBondContact O-N 2.95Å
78	Y	93.1	Very high	88.7	Confident	45 Å²	45	81 Å²	81	18%	0.176	43%	0.425	C	S	.	.	H	α-helix	trans	-58.4	-50.3	174.2	-173.6	-84.2	0	0	0	110.9	F12 T16 C74 R75 H76 A80 V81 E82	F12-Y78 HydrophobicContact CB-CD2 4.5Å; F12-Y78 HydrophobicContact CB-CE2 4.37Å; F12-Y78 AromaticContact CD1-CD2 3.56Å; F12-Y78 HydrophobicContact CD1-CD2 3.56Å; F12-Y78 HydrophobicContact CD1-CE2 4.19Å; F12-Y78 HydrophobicContact CD1-CG 4.01Å; F12-Y78 AromaticContact CD2-CD2 3.92Å; F12-Y78 HydrophobicContact CD2-CD2 3.92Å; F12-Y78 HydrophobicContact CD2-CE2 4.41Å; F12-Y78 AromaticContact CE1-CD2 3.63Å; F12-Y78 HydrophobicContact CE1-CD2 3.63Å; F12-Y78 AromaticContact CE1-CG 3.8Å; F12-Y78 HydrophobicContact CE1-CG 3.8Å; F12-Y78 AromaticContact CE2-CD2 3.96Å; F12-Y78 HydrophobicContact CE2-CD2 3.96Å; F12-Y78 AromaticContact CG-CD2 3.73Å; F12-Y78 HydrophobicContact CG-CD2 3.73Å; F12-Y78 HydrophobicContact CG-CE2 4.07Å; F12-Y78 AromaticContact CZ-CD2 3.83Å; F12-Y78 HydrophobicContact CZ-CD2 3.83Å; F12-Y78 HydrophobicContact CZ-CG 4.19Å; T16-Y78 HydrophobicContact CG2-CD1 3.31Å; T16-Y78 HydrophobicContact CG2-CE1 3.75Å; T16-Y78 HydrophobicContact CG2-CG 3.77Å; C74-Y78 WeakPolarHBondContact O-CB 3.39Å; C74-Y78 PolarHBondContact O-N 3.43Å; R75-Y78 PolarHBondContact O-N 3.01Å; H76-Y78 PolarHBondContact O-N 2.91Å; Y78-A80 VanDerWaalsContact C-N 3.34Å; Y78-A80 PolarHBondContact O-N 3.14Å; Y78-V81 PolarHBondContact O-N 3.24Å; Y78-E82 HydrophobicContact CD1-CB 4.32Å; Y78-E82 HydrophobicContact CE1-CB 4.15Å; Y78-E82 VanDerWaalsContact CE1-CD 3.44Å; Y78-E82 HydrophobicContact CE1-CG 4.33Å; Y78-E82 VanDerWaalsContact CE1-OE1 3.31Å; Y78-E82 WeakPolarHBondContact CE1-OE1 3.36Å; Y78-E82 WeakPolarHBondContact CE1-OE2 3.27Å; Y78-E82 WeakPolarHBondContact O-CB 3.44Å; Y78-E82 PolarHBondContact O-N 3.5Å; Y78-E82 PolarHBondContact OH-OE1 3.44Å
79	G	92.2	Very high	86.8	Confident	38 Å²	38	94.1 Å²	94.1	39%	0.392	47%	0.466	S	S	.	.	H	α-helix	trans	-62.8	-39	178	0	0	0	0	0	113	R75 H76 S83	R75-G79 PolarHBondContact O-N 2.78Å; H76-G79 PolarHBondContact O-N 3.27Å; G79-S83 PolarHBondContact O-N 2.65Å
80	A	91.3	Very high	86.2	Confident	44 Å²	44	98.2 Å²	98.2	36%	0.364	48%	0.484	S	S	.	.	H	α-helix	trans	-61.3	-47.6	175.5	0	0	0	0	0	111.5	H76 N77 Y78 S83 F84	H76-A80 PolarHBondContact O-N 3.21Å; N77-A80 PolarHBondContact O-N 3Å; Y78-A80 VanDerWaalsContact C-N 3.34Å; Y78-A80 PolarHBondContact O-N 3.14Å; A80-S83 PolarHBondContact O-OG 2.6Å; A80-F84 WeakPolarHBondContact O-CD2 3.26Å; A80-F84 WeakPolarHBondContact O-CE2 3.38Å
81	V	88.3	Confident	85.6	Confident	87 Å²	87	102.6 Å²	102.6	53%	0.527	51%	0.505	S	S	.	.	H	α-helix	trans	-75.2	-39.4	-178.3	175.7	0	0	0	0	112.3	N77 Y78 S83 F84 T85	N77-V81 WeakPolarHBondContact O-CG2 3.36Å; N77-V81 PolarHBondContact O-N 2.95Å; Y78-V81 PolarHBondContact O-N 3.24Å; V81-S83 PolarHBondContact O-N 3.32Å; V81-F84 PolarHBondContact O-N 3.33Å; V81-T85 HydrophobicContact CG1-CG2 3.8Å; V81-T85 PolarHBondContact O-N 3.44Å; V81-T85 PolarHBondContact O-OG1 3.24Å
82	E	85.1	Confident	84.9	Confident	59 Å²	59	103.3 Å²	103.3	28%	0.276	51%	0.507	S	S	.	.	H	α-helix	trans	-54.4	-38.7	179.9	177	168.4	-117.9	0	0	111.2	Y78 F84 T85 Q87	Y78-E82 HydrophobicContact CD1-CB 4.32Å; Y78-E82 HydrophobicContact CE1-CB 4.15Å; Y78-E82 VanDerWaalsContact CE1-CD 3.44Å; Y78-E82 HydrophobicContact CE1-CG 4.33Å; Y78-E82 VanDerWaalsContact CE1-OE1 3.31Å; Y78-E82 WeakPolarHBondContact CE1-OE1 3.36Å; Y78-E82 WeakPolarHBondContact CE1-OE2 3.27Å; Y78-E82 WeakPolarHBondContact O-CB 3.44Å; Y78-E82 PolarHBondContact O-N 3.5Å; Y78-E82 PolarHBondContact OH-OE1 3.44Å; E82-F84 PolarHBondContact O-N 3.47Å; E82-F84 VanDerWaalsContact O-N 3.14Å; E82-T85 PolarHBondContact O-N 3.04Å; E82-T85 PolarHBondContact O-OG1 2.8Å; E82-Q87 PolarHBondContact O-NE2 2.8Å
83	S	79.6	Confident	84.1	Confident	79 Å²	79	103.7 Å²	103.7	55%	0.552	50%	0.502	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.6	-22.6	176	73.2	0	0	0	0	115	G79 A80 V81	G79-S83 PolarHBondContact O-N 2.65Å; A80-S83 PolarHBondContact O-OG 2.6Å; V81-S83 PolarHBondContact O-N 3.32Å
84	F	77.3	Confident	83.4	Confident	178 Å²	178	102.8 Å²	102.8	78%	0.781	50%	0.504	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.8	-13.1	-179.7	-59	-70.9	0	0	0	113.9	A80 V81 E82	A80-F84 WeakPolarHBondContact O-CD2 3.26Å; A80-F84 WeakPolarHBondContact O-CE2 3.38Å; V81-F84 PolarHBondContact O-N 3.33Å; E82-F84 PolarHBondContact O-N 3.47Å; E82-F84 VanDerWaalsContact O-N 3.14Å
85	T	77.8	Confident	82.4	Confident	71 Å²	71	109.5 Å²	109.5	44%	0.436	54%	0.537	S	S	.	.	S	Bend	trans	-103.2	154.9	-176.5	60.7	0	0	0	0	111.8	V81 E82 Q87	V81-T85 HydrophobicContact CG1-CG2 3.8Å; V81-T85 PolarHBondContact O-N 3.44Å; V81-T85 PolarHBondContact O-OG1 3.24Å; E82-T85 PolarHBondContact O-N 3.04Å; E82-T85 PolarHBondContact O-OG1 2.8Å; T85-Q87 PolarHBondContact O-N 3.26Å; T85-Q87 VanDerWaalsContact O-N 3.1Å
86	V	72.9	Confident	81.4	Confident	138 Å²	138	112.2 Å²	112.2	84%	0.836	56%	0.556	S	S	*	*	P	Polyproline II helix	trans	-58.7	120.5	169.3	178.4	0	0	0	0	107.9	R88	V86-R88 PolarHBondContact O-N 2.83Å
87	Q	67.3	Low	80.3	Confident	109 Å²	109	111.3 Å²	111.3	51%	0.509	55%	0.554	S	S	.	*	P	Polyproline II helix	trans	-52.8	122.3	-178.7	-63.7	-70.5	-53.8	0	0	109.8	E82 T85 R89	E82-Q87 PolarHBondContact O-NE2 2.8Å; T85-Q87 PolarHBondContact O-N 3.26Å; T85-Q87 VanDerWaalsContact O-N 3.1Å; Q87-R89 PolarHBondContact O-N 2.98Å
88	R	65.3	Low	79.1	Confident	221 Å²	221	115.4 Å²	115.4	83%	0.834	57%	0.573	S	S	*	*			trans	-71.7	110	175.3	-69.1	-178.9	174.5	-173.6	-1.1	107.1	V86	V86-R88 PolarHBondContact O-N 2.83Å
89	R	59.4	Low	77.8	Confident	316 Å²	316	121.8 Å²	121.8	100%	1.192	61%	0.609	S	S	*	*			trans	-74.9	0	173.9	-71.8	-173.4	179.8	-169.3	0	111.3	Q87	Q87-R89 PolarHBondContact O-N 2.98Å

Retrieved 89 of 89 residues in 42.1 ms (Link to these results)

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