A0A023VRX5_HUMAN Loading...

MHC class II antigen

AlphaFold DB , UniProt , Accession A0A023VRX5, Species HUMAN (Homo sapiens, Human), Gene HLA-DRB1, Length 89 aa.

						>A0A023VRX5_HUMAN|A0A023VRX5|HLA-DRB1
RFLEYSTGECYFFNGTERVRFLDRYFHNQEEFVRFDSDVGEYRAVTELGRPAAEHWNSQKDLLEQKRGRGGHLLQTQLRGCGELHSAAA
					

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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	80.4	Confident	84.8	Confident	275 Å²	275	89.2 Å²	89.2	100%	1.038	43%	0.426	S	S	*	.				0	126.1	0	177.5	-179.7	-178.2	-157.2	1.3	106.9
2	F	83.1	Confident	84.6	Confident	119 Å²	119	88.4 Å²	88.4	52%	0.522	42%	0.42	S	S	.	.			trans	-79	135.2	174.2	179.4	-120	0	0	0	109.6	E4 H27	F2-E4 HydrophobicContact CE1-CB 3.88Å; F2-E4 WeakPolarHBondContact CE1-OE2 3.35Å; F2-E4 HydrophobicContact CE2-CB 4.5Å; F2-E4 HydrophobicContact CZ-CB 3.7Å; F2-E4 HydrophobicContact CZ-CG 4.41Å; F2-E4 VanDerWaalsContact CZ-OE2 3.28Å; F2-E4 WeakPolarHBondContact CZ-OE2 3.34Å; F2-H27 AromaticContact CE2-CE1 3.15Å; F2-H27 WeakPolarHBondContact CE2-CE1 3.39Å; F2-H27 AromaticContact CE2-ND1 3.4Å; F2-H27 WeakPolarHBondContact CE2-ND1 3.47Å; F2-H27 AromaticContact CE2-NE2 3.71Å; F2-H27 AromaticContact CZ-CE1 3.8Å; F2-H27 AromaticContact CZ-ND1 3.79Å
3	L	88.2	Confident	84.4	Confident	63 Å²	63	88.5 Å²	88.5	33%	0.33	42%	0.418	S	S	.	.			trans	-134	118.9	177.3	179.2	65.7	0	0	0	109.6	Y5 N28 Q29	L3-Y5 HydrophobicContact CD1-CD1 4.31Å; L3-Y5 HydrophobicContact CD2-CD1 4.05Å; L3-Y5 HydrophobicContact CD2-CE1 3.89Å; L3-Y5 HydrophobicContact CG-CD1 3.83Å; L3-Y5 HydrophobicContact CG-CE1 4.14Å; L3-N28 PolarHBondContact N-OD1 2.82Å; L3-N28 PolarHBondContact O-N 2.84Å; L3-Q29 HydrophobicContact CD2-CG 4.2Å
4	E	87.7	Confident	84.6	Confident	118 Å²	118	91.8 Å²	91.8	55%	0.551	44%	0.44	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-127.2	129.1	174.9	-172.5	163.7	-162.6	0	0	108.6	F2 F26	F2-E4 HydrophobicContact CE1-CB 3.88Å; F2-E4 WeakPolarHBondContact CE1-OE2 3.35Å; F2-E4 HydrophobicContact CE2-CB 4.5Å; F2-E4 HydrophobicContact CZ-CB 3.7Å; F2-E4 HydrophobicContact CZ-CG 4.41Å; F2-E4 VanDerWaalsContact CZ-OE2 3.28Å; F2-E4 WeakPolarHBondContact CZ-OE2 3.34Å; E4-F26 WeakPolarHBondContact CA-O 3.34Å
5	Y	84.6	Confident	84.2	Confident	89 Å²	89	89.3 Å²	89.3	35%	0.349	45%	0.447	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.5	164.5	-179.7	65.8	-81.1	0	0	0	110.4	L3 T7 F26	L3-Y5 HydrophobicContact CD1-CD1 4.31Å; L3-Y5 HydrophobicContact CD2-CD1 4.05Å; L3-Y5 HydrophobicContact CD2-CE1 3.89Å; L3-Y5 HydrophobicContact CG-CD1 3.83Å; L3-Y5 HydrophobicContact CG-CE1 4.14Å; Y5-T7 HydrophobicContact CD2-CG2 4.2Å; Y5-T7 HydrophobicContact CE2-CG2 4.14Å; Y5-F26 HydrophobicContact CD1-CB 3.89Å; Y5-F26 HydrophobicContact CD2-CB 4.23Å; Y5-F26 AromaticContact CD2-CD2 3.78Å; Y5-F26 HydrophobicContact CD2-CD2 3.78Å; Y5-F26 HydrophobicContact CD2-CE2 4.5Å; Y5-F26 HydrophobicContact CD2-CG 4.22Å; Y5-F26 HydrophobicContact CE1-CB 3.52Å; Y5-F26 HydrophobicContact CE1-CG 4.1Å; Y5-F26 HydrophobicContact CE2-CB 3.87Å; Y5-F26 HydrophobicContact CE2-CD1 4.28Å; Y5-F26 AromaticContact CE2-CD2 3.38Å; Y5-F26 HydrophobicContact CE2-CD2 3.38Å; Y5-F26 AromaticContact CE2-CE2 3.94Å; Y5-F26 HydrophobicContact CE2-CE2 3.94Å; Y5-F26 AromaticContact CE2-CG 3.59Å; Y5-F26 HydrophobicContact CE2-CG 3.59Å; Y5-F26 HydrophobicContact CG-CB 4.24Å; Y5-F26 VanDerWaalsContact CZ-CB 3.49Å; Y5-F26 AromaticContact CZ-CD2 3.85Å; Y5-F26 AromaticContact CZ-CG 3.52Å; Y5-F26 PolarHBondContact N-O 2.76Å; Y5-F26 PolarHBondContact O-N 2.99Å
6	S	87.6	Confident	83.5	Confident	57 Å²	57	88.6 Å²	88.6	40%	0.399	45%	0.449	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	156.2	173	56.7	0	0	0	0	111.3	R24	S6-R24 CarbonylContact C-O 3.48Å; S6-R24 WeakPolarHBondContact CA-O 3.49Å; S6-R24 WeakPolarHBondContact CB-O 3.2Å
7	T	85	Confident	83.2	Confident	39 Å²	39	92.6 Å²	92.6	24%	0.239	47%	0.466	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	140.3	173.1	66.8	0	0	0	0	110.3	Y5 E9 D23 R24 F26	Y5-T7 HydrophobicContact CD2-CG2 4.2Å; Y5-T7 HydrophobicContact CE2-CG2 4.14Å; T7-E9 PolarHBondContact OG1-OE1 2.81Å; T7-D23 WeakPolarHBondContact O-CA 3.49Å; T7-R24 PolarHBondContact N-O 2.85Å; T7-R24 PolarHBondContact O-N 3.01Å; T7-F26 HydrophobicContact CG2-CD2 4.47Å; T7-F26 HydrophobicContact CG2-CE2 3.83Å
8	G	86	Confident	83	Confident	42 Å²	42	95 Å²	95	43%	0.433	47%	0.469	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	112.4	168.7	0	0	0	0	0	108.9	L22	G8-L22 CarbonylContact C-O 3.57Å; G8-L22 WeakPolarHBondContact CA-O 3.3Å
9	E	83.4	Confident	82.8	Confident	41 Å²	41	92.6 Å²	92.6	19%	0.192	46%	0.46	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	138.6	-174.1	-63.8	163.9	-165.3	0	0	110.4	T7 Y11 F21 L22 R24	T7-E9 PolarHBondContact OG1-OE1 2.81Å; E9-Y11 HydrophobicContact CB-CE2 3.91Å; E9-Y11 PolarHBondContact OE2-OH 3.38Å; E9-Y11 VanDerWaalsContact OE2-OH 3.07Å; E9-F21 CarbonylContact O-C 3.6Å; E9-F21 WeakPolarHBondContact O-CA 3.37Å; E9-F21 WeakPolarHBondContact O-CD2 3.45Å; E9-L22 HydrophobicContact CB-CB 4.28Å; E9-L22 PolarHBondContact N-O 2.64Å; E9-L22 PolarHBondContact O-N 3Å; E9-R24 WeakPolarHBondContact OE1-CD 3.4Å; E9-R24 IonicContact OE1-CZ 3.86Å; E9-R24 IonicContact OE1-NH1 2.99Å; E9-R24 PolarHBondContact OE1-NH1 2.89Å; E9-R24 WeakPolarHBondContact OE2-CD 3.36Å; E9-R24 IonicContact OE2-NH1 2.76Å; E9-R24 PolarHBondContact OE2-NH1 3.14Å
10	C	83.3	Confident	83	Confident	34 Å²	34	91.4 Å²	91.4	23%	0.23	45%	0.449	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	123.1	179.9	-44	0	0	0	0	109.3	F12 C81	C10-F12 HydrophobicContact CB-CD2 4.48Å; C10-F12 HydrophobicContact CB-CE2 3.73Å; C10-F12 HydrophobicContact CB-CZ 4.11Å; C10-C81 HydrophobicContact CB-CB 4.06Å; C10-C81 WeakPolarHBondContact CB-SG 3.28Å; C10-C81 WeakPolarHBondContact SG-CA 3.4Å; C10-C81 WeakPolarHBondContact SG-CB 3.36Å; C10-C81 PolarHBondContact SG-N 3.1Å; C10-C81 CovalentContact SG-SG 2.01Å; C10-C81 PolarHBondContact SG-SG 3.28Å
11	Y	82.9	Confident	83.1	Confident	104 Å²	104	87.6 Å²	87.6	41%	0.408	43%	0.431	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	122.7	175.6	-61.2	-86.9	0	0	0	109.7	E9 V19 R20 L22	E9-Y11 HydrophobicContact CB-CE2 3.91Å; E9-Y11 PolarHBondContact OE2-OH 3.38Å; E9-Y11 VanDerWaalsContact OE2-OH 3.07Å; Y11-V19 CarbonylContact O-C 3.59Å; Y11-V19 WeakPolarHBondContact O-CA 3.33Å; Y11-R20 PolarHBondContact N-O 2.98Å; Y11-R20 PolarHBondContact O-N 2.75Å; Y11-L22 HydrophobicContact CD2-CD1 4.48Å; Y11-L22 HydrophobicContact CD2-CG 4.46Å; Y11-L22 HydrophobicContact CE2-CD1 3.69Å; Y11-L22 HydrophobicContact CE2-CG 4.05Å
12	F	82.9	Confident	83.5	Confident	80 Å²	80	74.8 Å²	74.8	35%	0.351	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	124.6	-176.7	-68.2	-83	0	0	0	109.2	C10 G15 T16 V19 L84	C10-F12 HydrophobicContact CB-CD2 4.48Å; C10-F12 HydrophobicContact CB-CE2 3.73Å; C10-F12 HydrophobicContact CB-CZ 4.11Å; F12-G15 VanDerWaalsContact CB-O 3.31Å; F12-G15 WeakPolarHBondContact CB-O 3.44Å; F12-T16 HydrophobicContact CD1-CG2 4.07Å; F12-T16 HydrophobicContact CE1-CG2 4.33Å; F12-V19 HydrophobicContact CD1-CG1 4.36Å; F12-V19 HydrophobicContact CD1-CG2 3.7Å; F12-V19 HydrophobicContact CE1-CG1 4.1Å; F12-V19 HydrophobicContact CE1-CG2 3.76Å; F12-L84 HydrophobicContact CE2-CD1 4.21Å; F12-L84 HydrophobicContact CZ-CD1 4.48Å
13	F	81.8	Confident	83.7	Confident	89 Å²	89	69.2 Å²	69.2	39%	0.39	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	135.3	178	-56.4	-89.1	0	0	0	109.5	G15 R18 R20	F13-G15 VanDerWaalsContact C-N 3.33Å; F13-G15 PolarHBondContact O-N 3.45Å; F13-R18 HydrophobicContact CB-CB 4.24Å; F13-R18 HydrophobicContact CD2-CG 4.26Å; F13-R18 PolarHBondContact N-O 3.35Å; F13-R18 PolarHBondContact O-N 2.98Å; F13-R20 HydrophobicContact CE2-CB 3.99Å
14	N	87.3	Confident	83.9	Confident	135 Å²	135	68.7 Å²	68.7	72%	0.722	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.7	51.5	-175.2	-59.2	-18.2	0	0	0	112.1	T16 E17	N14-T16 PolarHBondContact O-N 3.34Å; N14-E17 HydrophobicContact CB-CB 4.36Å; N14-E17 HydrophobicContact CB-CG 4.48Å; N14-E17 WeakPolarHBondContact CB-OE2 3.2Å
15	G	78.6	Confident	84	Confident	54 Å²	54	65 Å²	65	56%	0.557	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	71.6	-119.3	-167.5	0	0	0	0	0	109.9	F12 F13	F12-G15 VanDerWaalsContact CB-O 3.31Å; F12-G15 WeakPolarHBondContact CB-O 3.44Å; F13-G15 VanDerWaalsContact C-N 3.33Å; F13-G15 PolarHBondContact O-N 3.45Å
16	T	73.4	Confident	84.4	Confident	78 Å²	78	61.5 Å²	61.5	48%	0.479	32%	0.32	S	S	.	.	T	Hydrogen-bonded Turn	trans	-113	8.1	-174.1	56.2	0	0	0	0	113.6	F12 N14 R18 H85	F12-T16 HydrophobicContact CD1-CG2 4.07Å; F12-T16 HydrophobicContact CE1-CG2 4.33Å; N14-T16 PolarHBondContact O-N 3.34Å; T16-R18 VanDerWaalsContact C-N 3.27Å; T16-R18 PolarHBondContact O-N 2.81Å; T16-H85 WeakPolarHBondContact CG2-NE2 3.31Å
17	E	77.6	Confident	84.5	Confident	158 Å²	158	61.6 Å²	61.6	74%	0.738	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59	-39.8	179.1	-68.8	-178	170.1	0	0	111.9	N14	N14-E17 HydrophobicContact CB-CB 4.36Å; N14-E17 HydrophobicContact CB-CG 4.48Å; N14-E17 WeakPolarHBondContact CB-OE2 3.2Å
18	R	79.5	Confident	84.9	Confident	135 Å²	135	63.4 Å²	63.4	51%	0.509	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	128.2	173.8	-179.8	179.8	178	-170.4	-2.3	110.4	F13 T16 D38	F13-R18 HydrophobicContact CB-CB 4.24Å; F13-R18 HydrophobicContact CD2-CG 4.26Å; F13-R18 PolarHBondContact N-O 3.35Å; F13-R18 PolarHBondContact O-N 2.98Å; T16-R18 VanDerWaalsContact C-N 3.27Å; T16-R18 PolarHBondContact O-N 2.81Å; R18-D38 IonicContact CZ-OD1 3.87Å; R18-D38 IonicContact CZ-OD2 3.86Å; R18-D38 IonicContact NE-OD1 3.72Å; R18-D38 IonicContact NH2-OD1 3.1Å; R18-D38 PolarHBondContact NH2-OD1 2.8Å; R18-D38 VanDerWaalsContact NH2-OD1 3.1Å; R18-D38 IonicContact NH2-OD2 2.81Å; R18-D38 PolarHBondContact NH2-OD2 2.83Å
19	V	80.6	Confident	85.1	Confident	49 Å²	49	68.6 Å²	68.6	30%	0.297	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	126.9	176.6	-175.1	0	0	0	0	108.5	Y11 F12	Y11-V19 CarbonylContact O-C 3.59Å; Y11-V19 WeakPolarHBondContact O-CA 3.33Å; F12-V19 HydrophobicContact CD1-CG1 4.36Å; F12-V19 HydrophobicContact CD1-CG2 3.7Å; F12-V19 HydrophobicContact CE1-CG1 4.1Å; F12-V19 HydrophobicContact CE1-CG2 3.76Å
20	R	86.2	Confident	85.7	Confident	68 Å²	68	72.4 Å²	72.4	26%	0.257	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	125.7	169.9	-179.1	-173.3	-177.7	-168.2	1	109.1	Y11 F13 L22 D36 S37 D38	Y11-R20 PolarHBondContact N-O 2.98Å; Y11-R20 PolarHBondContact O-N 2.75Å; F13-R20 HydrophobicContact CE2-CB 3.99Å; R20-L22 HydrophobicContact CG-CD2 4.45Å; R20-D36 IonicContact CZ-OD1 3.33Å; R20-D36 IonicContact CZ-OD2 3.44Å; R20-D36 VanDerWaalsContact CZ-OD2 3.32Å; R20-D36 IonicContact NE-OD1 2.85Å; R20-D36 PolarHBondContact NE-OD1 2.8Å; R20-D36 IonicContact NE-OD2 2.71Å; R20-D36 PolarHBondContact NE-OD2 3.07Å; R20-D36 IonicContact NH2-OD1 3.93Å; R20-D36 IonicContact NH2-OD2 2.64Å; R20-D36 PolarHBondContact NH2-OD2 3.48Å; R20-S37 WeakPolarHBondContact CA-OG 3.17Å; R20-D38 WeakPolarHBondContact CD-OD2 3.21Å; R20-D38 IonicContact NE-OD2 2.91Å
21	F	84.6	Confident	86.3	Confident	12 Å²	12	72 Å²	72	5%	0.053	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	132.3	176.8	173.5	-111	0	0	0	110.2	E9 D23 F35 S37 L78 C81	E9-F21 CarbonylContact O-C 3.6Å; E9-F21 WeakPolarHBondContact O-CA 3.37Å; E9-F21 WeakPolarHBondContact O-CD2 3.45Å; F21-D23 HydrophobicContact CE1-CB 3.71Å; F21-D23 HydrophobicContact CZ-CB 3.83Å; F21-F35 HydrophobicContact CD1-CD1 4.29Å; F21-F35 HydrophobicContact CD1-CE1 4.4Å; F21-S37 PolarHBondContact N-OG 3.47Å; F21-S37 PolarHBondContact O-N 3.17Å; F21-S37 PolarHBondContact O-OG 3.23Å; F21-L78 HydrophobicContact CD1-CD1 4.02Å; F21-L78 HydrophobicContact CD2-CD1 4.47Å; F21-L78 HydrophobicContact CD2-CD2 3.71Å; F21-L78 HydrophobicContact CD2-CG 4.21Å; F21-L78 HydrophobicContact CE1-CD1 3.79Å; F21-L78 HydrophobicContact CE1-CG 4.22Å; F21-L78 HydrophobicContact CE2-CD1 4.27Å; F21-L78 HydrophobicContact CE2-CD2 3.78Å; F21-L78 HydrophobicContact CE2-CG 3.82Å; F21-L78 HydrophobicContact CG-CD1 4.34Å; F21-L78 HydrophobicContact CG-CD2 4.12Å; F21-L78 HydrophobicContact CZ-CD1 3.93Å; F21-L78 HydrophobicContact CZ-CD2 4.25Å; F21-L78 HydrophobicContact CZ-CG 3.83Å; F21-C81 VanDerWaalsContact CD2-SG 3.56Å
22	L	88.8	Confident	86.9	Confident	7 Å²	7	68 Å²	68	4%	0.037	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	131.1	170	-56.5	-176.5	0	0	0	110	G8 E9 Y11 R20 R24 F35 D36	G8-L22 CarbonylContact C-O 3.57Å; G8-L22 WeakPolarHBondContact CA-O 3.3Å; E9-L22 HydrophobicContact CB-CB 4.28Å; E9-L22 PolarHBondContact N-O 2.64Å; E9-L22 PolarHBondContact O-N 3Å; Y11-L22 HydrophobicContact CD2-CD1 4.48Å; Y11-L22 HydrophobicContact CD2-CG 4.46Å; Y11-L22 HydrophobicContact CE2-CD1 3.69Å; Y11-L22 HydrophobicContact CE2-CG 4.05Å; R20-L22 HydrophobicContact CG-CD2 4.45Å; L22-R24 HydrophobicContact CB-CG 4.03Å; L22-F35 WeakPolarHBondContact CA-O 3.12Å; L22-D36 HydrophobicContact CD2-CB 3.73Å; L22-D36 VanDerWaalsContact CD2-CG 3.48Å
23	D	88.4	Confident	87.5	Confident	1 Å²	1	64.1 Å²	64.1	1%	0.005	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	107.8	169.9	-178.1	32.9	0	0	0	107.9	T7 F21 Y25 R34 F35 Y42 K66	T7-D23 WeakPolarHBondContact O-CA 3.49Å; F21-D23 HydrophobicContact CE1-CB 3.71Å; F21-D23 HydrophobicContact CZ-CB 3.83Å; D23-Y25 PolarHBondContact OD1-OH 2.77Å; D23-Y25 WeakPolarHBondContact OD2-CE2 3.37Å; D23-Y25 PolarHBondContact OD2-OH 2.86Å; D23-R34 CarbonylContact O-C 3.53Å; D23-R34 VanDerWaalsContact O-CA 3.3Å; D23-R34 WeakPolarHBondContact O-CA 3.24Å; D23-F35 HydrophobicContact CB-CB 4.19Å; D23-F35 PolarHBondContact N-O 2.85Å; D23-F35 PolarHBondContact O-N 3.43Å; D23-Y42 PolarHBondContact OD2-OH 2.9Å; D23-K66 IonicContact OD2-NZ 3.6Å; D23-K66 PolarHBondContact OD2-NZ 3.23Å
24	R	91.2	Very high	88.2	Confident	53 Å²	53	63.9 Å²	63.9	20%	0.2	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	140.3	-165.9	-55	172.6	69	-162.8	-0.8	110.1	S6 T7 E9 L22 F26 E31 R34	S6-R24 CarbonylContact C-O 3.48Å; S6-R24 WeakPolarHBondContact CA-O 3.49Å; S6-R24 WeakPolarHBondContact CB-O 3.2Å; T7-R24 PolarHBondContact N-O 2.85Å; T7-R24 PolarHBondContact O-N 3.01Å; E9-R24 WeakPolarHBondContact OE1-CD 3.4Å; E9-R24 IonicContact OE1-CZ 3.86Å; E9-R24 IonicContact OE1-NH1 2.99Å; E9-R24 PolarHBondContact OE1-NH1 2.89Å; E9-R24 WeakPolarHBondContact OE2-CD 3.36Å; E9-R24 IonicContact OE2-NH1 2.76Å; E9-R24 PolarHBondContact OE2-NH1 3.14Å; L22-R24 HydrophobicContact CB-CG 4.03Å; R24-F26 HydrophobicContact CB-CE2 3.65Å; R24-F26 HydrophobicContact CB-CZ 3.98Å; R24-E31 WeakPolarHBondContact CG-OE1 3.43Å; R24-E31 IonicContact CZ-OE1 2.86Å; R24-E31 IonicContact CZ-OE2 3.75Å; R24-E31 VanDerWaalsContact NE-CD 3.29Å; R24-E31 IonicContact NE-OE1 3.34Å; R24-E31 PolarHBondContact NE-OE1 2.81Å; R24-E31 IonicContact NE-OE2 3.85Å; R24-E31 PolarHBondContact NE-OE2 3.5Å; R24-E31 IonicContact NH2-OE1 2.78Å; R24-E31 IonicContact NH2-OE2 3.76Å; R24-E31 PolarHBondContact NH2-OE2 2.95Å; R24-R34 HydrophobicContact CG-CB 4.43Å; R24-R34 HydrophobicContact CG-CG 3.97Å
25	Y	89.6	Confident	88.3	Confident	40 Å²	40	57.4 Å²	57.4	16%	0.157	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	135.6	-178.6	-63.2	-106.1	0	0	0	110.2	D23 E31 F32 V33 Y42 W56 Q77	D23-Y25 PolarHBondContact OD1-OH 2.77Å; D23-Y25 WeakPolarHBondContact OD2-CE2 3.37Å; D23-Y25 PolarHBondContact OD2-OH 2.86Å; Y25-E31 CarbonylContact O-C 3.44Å; Y25-E31 WeakPolarHBondContact O-CA 3.16Å; Y25-F32 HydrophobicContact CG-CZ 4.46Å; Y25-F32 VanDerWaalsContact O-CD1 3.23Å; Y25-F32 WeakPolarHBondContact O-CD1 3.44Å; Y25-F32 PolarHBondContact O-N 3.03Å; Y25-V33 HydrophobicContact CD2-CG1 3.9Å; Y25-V33 HydrophobicContact CG-CG1 3.95Å; Y25-V33 PolarHBondContact N-O 2.88Å; Y25-Y42 AromaticContact CE2-CE1 3.91Å; Y25-Y42 HydrophobicContact CE2-CE1 3.91Å; Y25-W56 AromaticContact CD1-CH2 3.89Å; Y25-W56 HydrophobicContact CD1-CH2 3.89Å; Y25-W56 AromaticContact CD2-CH2 3.99Å; Y25-W56 HydrophobicContact CD2-CH2 3.99Å; Y25-W56 AromaticContact CD2-CZ3 3.86Å; Y25-W56 HydrophobicContact CD2-CZ3 3.86Å; Y25-W56 AromaticContact CE1-CH2 3.84Å; Y25-W56 HydrophobicContact CE1-CH2 3.84Å; Y25-W56 AromaticContact CE2-CH2 3.99Å; Y25-W56 HydrophobicContact CE2-CH2 3.99Å; Y25-W56 AromaticContact CE2-CZ3 3.84Å; Y25-W56 HydrophobicContact CE2-CZ3 3.84Å; Y25-W56 AromaticContact CG-CH2 3.99Å; Y25-W56 HydrophobicContact CG-CH2 3.99Å; Y25-W56 HydrophobicContact CG-CZ3 4.29Å; Y25-W56 AromaticContact CZ-CH2 3.92Å; Y25-Q77 PolarHBondContact OH-NE2 2.76Å; Y25-Q77 VanDerWaalsContact OH-NE2 3.11Å
26	F	93.2	Very high	88.9	Confident	15 Å²	15	55.5 Å²	55.5	7%	0.066	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	136.8	-171.7	-59.8	-96.8	0	0	0	111.4	E4 Y5 T7 R24 E30 E31	E4-F26 WeakPolarHBondContact CA-O 3.34Å; Y5-F26 HydrophobicContact CD1-CB 3.89Å; Y5-F26 HydrophobicContact CD2-CB 4.23Å; Y5-F26 AromaticContact CD2-CD2 3.78Å; Y5-F26 HydrophobicContact CD2-CD2 3.78Å; Y5-F26 HydrophobicContact CD2-CE2 4.5Å; Y5-F26 HydrophobicContact CD2-CG 4.22Å; Y5-F26 HydrophobicContact CE1-CB 3.52Å; Y5-F26 HydrophobicContact CE1-CG 4.1Å; Y5-F26 HydrophobicContact CE2-CB 3.87Å; Y5-F26 HydrophobicContact CE2-CD1 4.28Å; Y5-F26 AromaticContact CE2-CD2 3.38Å; Y5-F26 HydrophobicContact CE2-CD2 3.38Å; Y5-F26 AromaticContact CE2-CE2 3.94Å; Y5-F26 HydrophobicContact CE2-CE2 3.94Å; Y5-F26 AromaticContact CE2-CG 3.59Å; Y5-F26 HydrophobicContact CE2-CG 3.59Å; Y5-F26 HydrophobicContact CG-CB 4.24Å; Y5-F26 VanDerWaalsContact CZ-CB 3.49Å; Y5-F26 AromaticContact CZ-CD2 3.85Å; Y5-F26 AromaticContact CZ-CG 3.52Å; Y5-F26 PolarHBondContact N-O 2.76Å; Y5-F26 PolarHBondContact O-N 2.99Å; T7-F26 HydrophobicContact CG2-CD2 4.47Å; T7-F26 HydrophobicContact CG2-CE2 3.83Å; R24-F26 HydrophobicContact CB-CE2 3.65Å; R24-F26 HydrophobicContact CB-CZ 3.98Å; F26-E30 CarbonylContact C-O 3.56Å; F26-E30 VanDerWaalsContact CA-O 3.26Å; F26-E30 WeakPolarHBondContact CA-O 3.42Å; F26-E31 HydrophobicContact CD1-CB 3.82Å; F26-E31 HydrophobicContact CE1-CB 3.64Å; F26-E31 HydrophobicContact CE1-CG 4.21Å; F26-E31 HydrophobicContact CZ-CB 4.35Å; F26-E31 HydrophobicContact CZ-CG 4.45Å
27	H	89.9	Confident	89.4	Confident	60 Å²	60	53.8 Å²	53.8	28%	0.278	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	115.2	173.3	-175.5	101.5	0	0	0	107.8	F2 Q29 E30 F32 L48	F2-H27 AromaticContact CE2-CE1 3.15Å; F2-H27 WeakPolarHBondContact CE2-CE1 3.39Å; F2-H27 AromaticContact CE2-ND1 3.4Å; F2-H27 WeakPolarHBondContact CE2-ND1 3.47Å; F2-H27 AromaticContact CE2-NE2 3.71Å; F2-H27 AromaticContact CZ-CE1 3.8Å; F2-H27 AromaticContact CZ-ND1 3.79Å; H27-Q29 VanDerWaalsContact C-N 3.28Å; H27-Q29 PolarHBondContact O-N 2.82Å; H27-E30 PolarHBondContact N-O 3.4Å; H27-E30 WeakPolarHBondContact O-CB 3.42Å; H27-E30 PolarHBondContact O-N 3.4Å; H27-F32 HydrophobicContact CB-CD1 3.73Å; H27-F32 HydrophobicContact CB-CE1 4.09Å; H27-L48 HydrophobicContact CB-CD2 4.22Å
28	N	93.1	Very high	90	Very high	77 Å²	77	49.9 Å²	49.9	41%	0.412	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	49.5	46	-175.5	-59.8	-42	0	0	0	113.4	L3 E30	L3-N28 PolarHBondContact N-OD1 2.82Å; L3-N28 PolarHBondContact O-N 2.84Å; N28-E30 PolarHBondContact O-N 3.07Å
29	Q	90.9	Very high	90.5	Very high	150 Å²	150	46.8 Å²	46.8	70%	0.701	23%	0.226	S	C	*	.	T	Hydrogen-bonded Turn	trans	72.5	-3.7	-178	-49.6	170.5	9.1	0	0	115.2	L3 H27	L3-Q29 HydrophobicContact CD2-CG 4.2Å; H27-Q29 VanDerWaalsContact C-N 3.28Å; H27-Q29 PolarHBondContact O-N 2.82Å
30	E	95.6	Very high	90.9	Very high	122 Å²	122	44.9 Å²	44.9	57%	0.57	22%	0.216	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-92.8	122.8	174.4	-170.4	175.7	-176.6	0	0	110	F26 H27 N28 F32 T46	F26-E30 CarbonylContact C-O 3.56Å; F26-E30 VanDerWaalsContact CA-O 3.26Å; F26-E30 WeakPolarHBondContact CA-O 3.42Å; H27-E30 PolarHBondContact N-O 3.4Å; H27-E30 WeakPolarHBondContact O-CB 3.42Å; H27-E30 PolarHBondContact O-N 3.4Å; N28-E30 PolarHBondContact O-N 3.07Å; E30-F32 PolarHBondContact O-N 2.98Å; E30-T46 HydrophobicContact CG-CG2 4.02Å; E30-T46 WeakPolarHBondContact OE1-CG2 3.36Å
31	E	95.9	Very high	91.1	Very high	25 Å²	25	44.4 Å²	44.4	12%	0.117	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.7	123.7	173.9	-174.7	178.4	-165.9	0	0	109.3	R24 Y25 F26 R34 V45 T46	R24-E31 WeakPolarHBondContact CG-OE1 3.43Å; R24-E31 IonicContact CZ-OE1 2.86Å; R24-E31 IonicContact CZ-OE2 3.75Å; R24-E31 VanDerWaalsContact NE-CD 3.29Å; R24-E31 IonicContact NE-OE1 3.34Å; R24-E31 PolarHBondContact NE-OE1 2.81Å; R24-E31 IonicContact NE-OE2 3.85Å; R24-E31 PolarHBondContact NE-OE2 3.5Å; R24-E31 IonicContact NH2-OE1 2.78Å; R24-E31 IonicContact NH2-OE2 3.76Å; R24-E31 PolarHBondContact NH2-OE2 2.95Å; Y25-E31 CarbonylContact O-C 3.44Å; Y25-E31 WeakPolarHBondContact O-CA 3.16Å; F26-E31 HydrophobicContact CD1-CB 3.82Å; F26-E31 HydrophobicContact CE1-CB 3.64Å; F26-E31 HydrophobicContact CE1-CG 4.21Å; F26-E31 HydrophobicContact CZ-CB 4.35Å; F26-E31 HydrophobicContact CZ-CG 4.45Å; E31-R34 WeakPolarHBondContact OE1-CB 3.21Å; E31-R34 WeakPolarHBondContact OE1-CD 3.48Å; E31-R34 IonicContact OE1-NE 3.01Å; E31-V45 HydrophobicContact CB-CG1 4.36Å; E31-V45 HydrophobicContact CG-CB 4.26Å; E31-V45 HydrophobicContact CG-CG1 4.42Å; E31-V45 HydrophobicContact CG-CG2 3.86Å; E31-V45 WeakPolarHBondContact O-CB 3.36Å; E31-V45 WeakPolarHBondContact O-CG1 3.3Å; E31-T46 WeakPolarHBondContact O-CG2 3.39Å
32	F	95.9	Very high	91.5	Very high	19 Å²	19	44.1 Å²	44.1	8%	0.083	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	-27.6	-178.9	67.8	-87.8	0	0	0	113.1	Y25 H27 E30 V45 T46 L48 G49	Y25-F32 HydrophobicContact CG-CZ 4.46Å; Y25-F32 VanDerWaalsContact O-CD1 3.23Å; Y25-F32 WeakPolarHBondContact O-CD1 3.44Å; Y25-F32 PolarHBondContact O-N 3.03Å; H27-F32 HydrophobicContact CB-CD1 3.73Å; H27-F32 HydrophobicContact CB-CE1 4.09Å; E30-F32 PolarHBondContact O-N 2.98Å; F32-V45 PolarHBondContact O-N 3.38Å; F32-T46 WeakPolarHBondContact CA-OG1 3.48Å; F32-T46 WeakPolarHBondContact CB-OG1 3.44Å; F32-T46 PolarHBondContact O-N 3.23Å; F32-L48 HydrophobicContact CB-CD2 4.4Å; F32-G49 WeakPolarHBondContact O-CA 3.5Å
33	V	96.1	Very high	91.9	Very high	0 Å²	0	50.6 Å²	50.6	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.2	147.9	178.2	64.6	0	0	0	0	111.2	Y25 Y42 R43 A52 A53 W56	Y25-V33 HydrophobicContact CD2-CG1 3.9Å; Y25-V33 HydrophobicContact CG-CG1 3.95Å; Y25-V33 PolarHBondContact N-O 2.88Å; V33-Y42 HydrophobicContact CG2-CD1 4.09Å; V33-R43 WeakPolarHBondContact CA-O 3.42Å; V33-A52 HydrophobicContact CG1-CB 4.48Å; V33-A53 HydrophobicContact CG2-CB 4Å; V33-W56 HydrophobicContact CB-CZ3 4.37Å; V33-W56 HydrophobicContact CG1-CE3 4.41Å; V33-W56 HydrophobicContact CG1-CH2 3.87Å; V33-W56 HydrophobicContact CG1-CZ3 3.42Å; V33-W56 VanDerWaalsContact CG1-CZ3 3.42Å; V33-W56 HydrophobicContact CG2-CE3 4.22Å; V33-W56 HydrophobicContact CG2-CZ3 3.98Å
34	R	94.9	Very high	92.3	Very high	83 Å²	83	52.6 Å²	52.6	31%	0.313	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.2	135.8	-177.8	171.8	174.7	53.9	178.3	-7.7	112.3	D23 R24 E31 Y42 R43 V45	D23-R34 CarbonylContact O-C 3.53Å; D23-R34 VanDerWaalsContact O-CA 3.3Å; D23-R34 WeakPolarHBondContact O-CA 3.24Å; R24-R34 HydrophobicContact CG-CB 4.43Å; R24-R34 HydrophobicContact CG-CG 3.97Å; E31-R34 WeakPolarHBondContact OE1-CB 3.21Å; E31-R34 WeakPolarHBondContact OE1-CD 3.48Å; E31-R34 IonicContact OE1-NE 3.01Å; R34-Y42 CarbonylContact O-C 3.54Å; R34-Y42 VanDerWaalsContact O-CA 3.3Å; R34-Y42 WeakPolarHBondContact O-CA 3.39Å; R34-R43 PolarHBondContact N-O 3.02Å; R34-R43 PolarHBondContact O-N 2.98Å; R34-V45 HydrophobicContact CB-CG2 4.29Å
35	F	90.2	Very high	92.6	Very high	0 Å²	0	53.3 Å²	53.3	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	138	159.1	176.9	-88.5	0	0	0	110	F21 L22 D23 G40 E41 Y42 L63 K66	F21-F35 HydrophobicContact CD1-CD1 4.29Å; F21-F35 HydrophobicContact CD1-CE1 4.4Å; L22-F35 WeakPolarHBondContact CA-O 3.12Å; D23-F35 HydrophobicContact CB-CB 4.19Å; D23-F35 PolarHBondContact N-O 2.85Å; D23-F35 PolarHBondContact O-N 3.43Å; F35-G40 VanDerWaalsContact CE2-C 3.45Å; F35-E41 VanDerWaalsContact CD2-C 3.48Å; F35-Y42 HydrophobicContact CB-CD1 3.56Å; F35-Y42 HydrophobicContact CB-CD2 4.11Å; F35-Y42 HydrophobicContact CB-CE1 3.41Å; F35-Y42 VanDerWaalsContact CB-CE1 3.41Å; F35-Y42 HydrophobicContact CB-CE2 3.95Å; F35-Y42 HydrophobicContact CB-CG 3.92Å; F35-Y42 AromaticContact CD2-CD2 3.94Å; F35-Y42 HydrophobicContact CD2-CD2 3.94Å; F35-Y42 AromaticContact CD2-CE2 3.91Å; F35-Y42 HydrophobicContact CD2-CE2 3.91Å; F35-Y42 HydrophobicContact CD2-CG 4.41Å; F35-Y42 HydrophobicContact CG-CD2 4.49Å; F35-Y42 HydrophobicContact CG-CE2 4.26Å; F35-L63 HydrophobicContact CD2-CD2 4.45Å; F35-L63 HydrophobicContact CE2-CD2 4.15Å; F35-K66 HydrophobicContact CD1-CB 4.4Å; F35-K66 HydrophobicContact CD2-CB 4.19Å; F35-K66 HydrophobicContact CE1-CB 3.89Å; F35-K66 HydrophobicContact CE2-CB 3.66Å; F35-K66 HydrophobicContact CZ-CB 3.5Å
36	D	91	Very high	92.9	Very high	14 Å²	14	52.9 Å²	52.9	8%	0.075	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	121.3	174.2	-176	-13.1	0	0	0	108.8	R20 L22 D38 V39 G40	R20-D36 IonicContact CZ-OD1 3.33Å; R20-D36 IonicContact CZ-OD2 3.44Å; R20-D36 VanDerWaalsContact CZ-OD2 3.32Å; R20-D36 IonicContact NE-OD1 2.85Å; R20-D36 PolarHBondContact NE-OD1 2.8Å; R20-D36 IonicContact NE-OD2 2.71Å; R20-D36 PolarHBondContact NE-OD2 3.07Å; R20-D36 IonicContact NH2-OD1 3.93Å; R20-D36 IonicContact NH2-OD2 2.64Å; R20-D36 PolarHBondContact NH2-OD2 3.48Å; L22-D36 HydrophobicContact CD2-CB 3.73Å; L22-D36 VanDerWaalsContact CD2-CG 3.48Å; D36-D38 PolarHBondContact O-N 2.66Å; D36-D38 PolarHBondContact OD1-N 3.23Å; D36-V39 HydrophobicContact CB-CB 4.19Å; D36-V39 HydrophobicContact CB-CG2 3.9Å; D36-V39 CarbonylContact O-C 3.59Å; D36-V39 PolarHBondContact O-N 2.91Å; D36-G40 PolarHBondContact O-N 3.32Å
37	S	85.3	Confident	93	Very high	41 Å²	41	58.5 Å²	58.5	29%	0.287	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.9	-28.3	-179.5	63	0	0	0	0	113.6	R20 F21 V39	R20-S37 WeakPolarHBondContact CA-OG 3.17Å; F21-S37 PolarHBondContact N-OG 3.47Å; F21-S37 PolarHBondContact O-N 3.17Å; F21-S37 PolarHBondContact O-OG 3.23Å; S37-V39 PolarHBondContact O-N 3.35Å
38	D	88.5	Confident	93.1	Very high	76 Å²	76	60.6 Å²	60.6	41%	0.406	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.9	-25.1	176.3	-78.4	-21.1	0	0	0	111.6	R18 R20 D36	R18-D38 IonicContact CZ-OD1 3.87Å; R18-D38 IonicContact CZ-OD2 3.86Å; R18-D38 IonicContact NE-OD1 3.72Å; R18-D38 IonicContact NH2-OD1 3.1Å; R18-D38 PolarHBondContact NH2-OD1 2.8Å; R18-D38 VanDerWaalsContact NH2-OD1 3.1Å; R18-D38 IonicContact NH2-OD2 2.81Å; R18-D38 PolarHBondContact NH2-OD2 2.83Å; R20-D38 WeakPolarHBondContact CD-OD2 3.21Å; R20-D38 IonicContact NE-OD2 2.91Å; D36-D38 PolarHBondContact O-N 2.66Å; D36-D38 PolarHBondContact OD1-N 3.23Å
39	V	91.6	Very high	93.1	Very high	71 Å²	71	57 Å²	57	43%	0.43	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.6	-36.4	177.3	-172.3	0	0	0	0	111	D36 S37 E41	D36-V39 HydrophobicContact CB-CB 4.19Å; D36-V39 HydrophobicContact CB-CG2 3.9Å; D36-V39 CarbonylContact O-C 3.59Å; D36-V39 PolarHBondContact O-N 2.91Å; S37-V39 PolarHBondContact O-N 3.35Å; V39-E41 HydrophobicContact CG1-CG 3.9Å
40	G	88.3	Confident	93.4	Very high	8 Å²	8	55.7 Å²	55.7	8%	0.082	28%	0.276	C	S	.	.	T	Hydrogen-bonded Turn	trans	79.7	20.5	178.6	0	0	0	0	0	114.8	F35 D36 R67	F35-G40 VanDerWaalsContact CE2-C 3.45Å; D36-G40 PolarHBondContact O-N 3.32Å; G40-R67 PolarHBondContact O-NE 3.01Å; G40-R67 PolarHBondContact O-NH2 3.37Å
41	E	91.2	Very high	93.4	Very high	59 Å²	59	53.9 Å²	53.9	28%	0.276	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.6	163	177.5	74.2	-169.3	-177.8	0	0	112.1	F35 V39 R43 L63	F35-E41 VanDerWaalsContact CD2-C 3.48Å; V39-E41 HydrophobicContact CG1-CG 3.9Å; E41-R43 HydrophobicContact CG-CG 4.2Å; E41-R43 IonicContact OE1-CZ 3.26Å; E41-R43 VanDerWaalsContact OE1-CZ 3.26Å; E41-R43 IonicContact OE1-NE 2.83Å; E41-R43 PolarHBondContact OE1-NE 3.47Å; E41-R43 IonicContact OE1-NH2 2.8Å; E41-R43 PolarHBondContact OE1-NH2 2.91Å; E41-L63 HydrophobicContact CB-CD2 4.42Å
42	Y	93.1	Very high	93.2	Very high	5 Å²	5	53.7 Å²	53.7	2%	0.02	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	135.7	169.7	-73.7	-89.8	0	0	0	110.6	D23 Y25 V33 R34 F35 W56 N57 L62 L63 K66	D23-Y42 PolarHBondContact OD2-OH 2.9Å; Y25-Y42 AromaticContact CE2-CE1 3.91Å; Y25-Y42 HydrophobicContact CE2-CE1 3.91Å; V33-Y42 HydrophobicContact CG2-CD1 4.09Å; R34-Y42 CarbonylContact O-C 3.54Å; R34-Y42 VanDerWaalsContact O-CA 3.3Å; R34-Y42 WeakPolarHBondContact O-CA 3.39Å; F35-Y42 HydrophobicContact CB-CD1 3.56Å; F35-Y42 HydrophobicContact CB-CD2 4.11Å; F35-Y42 HydrophobicContact CB-CE1 3.41Å; F35-Y42 VanDerWaalsContact CB-CE1 3.41Å; F35-Y42 HydrophobicContact CB-CE2 3.95Å; F35-Y42 HydrophobicContact CB-CG 3.92Å; F35-Y42 AromaticContact CD2-CD2 3.94Å; F35-Y42 HydrophobicContact CD2-CD2 3.94Å; F35-Y42 AromaticContact CD2-CE2 3.91Å; F35-Y42 HydrophobicContact CD2-CE2 3.91Å; F35-Y42 HydrophobicContact CD2-CG 4.41Å; F35-Y42 HydrophobicContact CG-CD2 4.49Å; F35-Y42 HydrophobicContact CG-CE2 4.26Å; Y42-W56 AromaticContact CD1-CE3 3.39Å; Y42-W56 HydrophobicContact CD1-CE3 3.39Å; Y42-W56 AromaticContact CD1-CZ3 3.75Å; Y42-W56 HydrophobicContact CD1-CZ3 3.75Å; Y42-W56 HydrophobicContact CD2-CB 3.8Å; Y42-W56 HydrophobicContact CD2-CE3 4.19Å; Y42-W56 AromaticContact CE1-CE3 3.55Å; Y42-W56 HydrophobicContact CE1-CE3 3.55Å; Y42-W56 AromaticContact CE1-CZ3 3.73Å; Y42-W56 HydrophobicContact CE1-CZ3 3.73Å; Y42-W56 HydrophobicContact CE2-CB 4.18Å; Y42-W56 HydrophobicContact CE2-CE3 4.35Å; Y42-W56 HydrophobicContact CG-CB 4.24Å; Y42-W56 AromaticContact CG-CE3 3.74Å; Y42-W56 HydrophobicContact CG-CE3 3.74Å; Y42-N57 WeakPolarHBondContact CB-OD1 3.4Å; Y42-N57 PolarHBondContact N-OD1 2.85Å; Y42-N57 PolarHBondContact O-ND2 2.71Å; Y42-L62 HydrophobicContact CD2-CD2 4.47Å; Y42-L62 HydrophobicContact CE2-CD2 3.66Å; Y42-L63 HydrophobicContact CD2-CD2 4.41Å; Y42-K66 VanDerWaalsContact OH-CE 3.24Å; Y42-K66 WeakPolarHBondContact OH-CE 3.38Å; Y42-K66 PolarHBondContact OH-NZ 3.39Å
43	R	96.6	Very high	93.1	Very high	144 Å²	144	53.1 Å²	53.1	54%	0.543	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	136.5	171.2	-67.4	-156.1	172.9	176.8	1.8	111	V33 R34 E41 V45	V33-R43 WeakPolarHBondContact CA-O 3.42Å; R34-R43 PolarHBondContact N-O 3.02Å; R34-R43 PolarHBondContact O-N 2.98Å; E41-R43 HydrophobicContact CG-CG 4.2Å; E41-R43 IonicContact OE1-CZ 3.26Å; E41-R43 VanDerWaalsContact OE1-CZ 3.26Å; E41-R43 IonicContact OE1-NE 2.83Å; E41-R43 PolarHBondContact OE1-NE 3.47Å; E41-R43 IonicContact OE1-NH2 2.8Å; E41-R43 PolarHBondContact OE1-NH2 2.91Å; R43-V45 PolarHBondContact O-N 3.33Å
44	A	96.8	Very high	93	Very high	42 Å²	42	58.9 Å²	58.9	35%	0.347	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.8	129.4	170.2	0	0	0	0	0	109.4	R50 A53	A44-R50 HydrophobicContact CB-CB 4.27Å; A44-A53 HydrophobicContact CB-CB 4.32Å
45	V	96.9	Very high	92.7	Very high	68 Å²	68	60 Å²	60	41%	0.412	31%	0.312	S	S	.	.	S	Bend	trans	-90	-32.3	171.6	177.9	0	0	0	0	109.8	E31 F32 R34 R43	E31-V45 HydrophobicContact CB-CG1 4.36Å; E31-V45 HydrophobicContact CG-CB 4.26Å; E31-V45 HydrophobicContact CG-CG1 4.42Å; E31-V45 HydrophobicContact CG-CG2 3.86Å; E31-V45 WeakPolarHBondContact O-CB 3.36Å; E31-V45 WeakPolarHBondContact O-CG1 3.3Å; F32-V45 PolarHBondContact O-N 3.38Å; R34-V45 HydrophobicContact CB-CG2 4.29Å; R43-V45 PolarHBondContact O-N 3.33Å
46	T	95.9	Very high	92.6	Very high	31 Å²	31	62.7 Å²	62.7	19%	0.19	32%	0.322	C	S	.	.	S	Bend	trans	-127.1	164.1	173.8	68	0	0	0	0	110	E30 E31 F32 L48 G49	E30-T46 HydrophobicContact CG-CG2 4.02Å; E30-T46 WeakPolarHBondContact OE1-CG2 3.36Å; E31-T46 WeakPolarHBondContact O-CG2 3.39Å; F32-T46 WeakPolarHBondContact CA-OG1 3.48Å; F32-T46 WeakPolarHBondContact CB-OG1 3.44Å; F32-T46 PolarHBondContact O-N 3.23Å; T46-L48 PolarHBondContact O-N 3.03Å; T46-L48 VanDerWaalsContact O-N 3.16Å; T46-G49 PolarHBondContact O-N 3.34Å
47	E	95.3	Very high	92.6	Very high	133 Å²	133	64 Å²	64	62%	0.621	33%	0.329	S	S	*	.	G	3₁₀ helix	trans	-58.3	-29.4	178.3	-68.4	-58.4	145.1	0	0	113.1	G49 R50	E47-G49 PolarHBondContact O-N 3.05Å; E47-R50 VanDerWaalsContact CD-NH2 3.28Å; E47-R50 WeakPolarHBondContact O-CB 3.36Å; E47-R50 PolarHBondContact O-N 3.04Å; E47-R50 IonicContact OE1-NH2 3.89Å; E47-R50 PolarHBondContact OE1-NH2 2.8Å; E47-R50 IonicContact OE2-CZ 3.69Å; E47-R50 VanDerWaalsContact OE2-CZ 3.24Å; E47-R50 IonicContact OE2-NE 3.24Å; E47-R50 PolarHBondContact OE2-NE 2.87Å; E47-R50 IonicContact OE2-NH2 3.23Å; E47-R50 PolarHBondContact OE2-NH2 3.44Å
48	L	92.4	Very high	92.8	Very high	105 Å²	105	65.9 Å²	65.9	55%	0.55	34%	0.342	S	S	.	.	G	3₁₀ helix	trans	-59.9	-32.8	175.7	-174.2	71.4	0	0	0	112.3	H27 F32 T46 P51	H27-L48 HydrophobicContact CB-CD2 4.22Å; F32-L48 HydrophobicContact CB-CD2 4.4Å; T46-L48 PolarHBondContact O-N 3.03Å; T46-L48 VanDerWaalsContact O-N 3.16Å; L48-P51 WeakPolarHBondContact O-CD 3.31Å
49	G	93.7	Very high	92.7	Very high	0 Å²	0	65.7 Å²	65.7	0%	0	34%	0.339	C	S	.	.	G	3₁₀ helix	trans	-85.2	-6.9	-178.3	0	0	0	0	0	115.2	F32 T46 E47 A52 A53	F32-G49 WeakPolarHBondContact O-CA 3.5Å; T46-G49 PolarHBondContact O-N 3.34Å; E47-G49 PolarHBondContact O-N 3.05Å; G49-A52 PolarHBondContact O-N 2.97Å; G49-A53 WeakPolarHBondContact O-CB 3.38Å; G49-A53 PolarHBondContact O-N 3.24Å
50	R	96.8	Very high	92	Very high	123 Å²	123	70.2 Å²	70.2	46%	0.464	35%	0.352	S	S	.	.	H	α-helix	trans	-57.3	-49	-179.6	-177.1	-169.7	-62.2	-102.7	-0	112.5	A44 E47 A52 A53 E54	A44-R50 HydrophobicContact CB-CB 4.27Å; E47-R50 VanDerWaalsContact CD-NH2 3.28Å; E47-R50 WeakPolarHBondContact O-CB 3.36Å; E47-R50 PolarHBondContact O-N 3.04Å; E47-R50 IonicContact OE1-NH2 3.89Å; E47-R50 PolarHBondContact OE1-NH2 2.8Å; E47-R50 IonicContact OE2-CZ 3.69Å; E47-R50 VanDerWaalsContact OE2-CZ 3.24Å; E47-R50 IonicContact OE2-NE 3.24Å; E47-R50 PolarHBondContact OE2-NE 2.87Å; E47-R50 IonicContact OE2-NH2 3.23Å; E47-R50 PolarHBondContact OE2-NH2 3.44Å; R50-A52 VanDerWaalsContact C-N 3.3Å; R50-A52 PolarHBondContact O-N 3.16Å; R50-A53 PolarHBondContact O-N 2.98Å; R50-E54 WeakPolarHBondContact CG-OE1 3.3Å; R50-E54 WeakPolarHBondContact O-CG 3.08Å; R50-E54 PolarHBondContact O-N 3.23Å
51	P	95.5	Very high	91.4	Very high	84 Å²	84	76.7 Å²	76.7	55%	0.545	39%	0.385	S	S	.	.	H	α-helix	trans	-63	-36.9	178.4	-20.1	33.6	0	0	0	112.5	L48 H55	L48-P51 WeakPolarHBondContact O-CD 3.31Å; P51-H55 WeakPolarHBondContact O-CB 3.39Å; P51-H55 PolarHBondContact O-N 3.47Å
52	A	90.8	Very high	90.4	Very high	22 Å²	22	75.3 Å²	75.3	18%	0.182	38%	0.38	C	S	.	.	H	α-helix	trans	-67.1	-45.8	178.1	0	0	0	0	0	111.6	V33 G49 R50 H55 W56	V33-A52 HydrophobicContact CG1-CB 4.48Å; G49-A52 PolarHBondContact O-N 2.97Å; R50-A52 VanDerWaalsContact C-N 3.3Å; R50-A52 PolarHBondContact O-N 3.16Å; A52-H55 PolarHBondContact O-N 2.93Å; A52-W56 HydrophobicContact CB-CE3 4.49Å; A52-W56 HydrophobicContact CB-CH2 4.39Å; A52-W56 HydrophobicContact CB-CZ2 4.41Å; A52-W56 HydrophobicContact CB-CZ3 4.44Å; A52-W56 WeakPolarHBondContact O-CB 3.06Å; A52-W56 VanDerWaalsContact O-CG 3.24Å; A52-W56 PolarHBondContact O-N 2.85Å
53	A	93.9	Very high	89.5	Confident	6 Å²	6	75.6 Å²	75.6	5%	0.05	38%	0.382	C	S	.	.	H	α-helix	trans	-61.3	-47.4	177.8	0	0	0	0	0	111.7	V33 A44 G49 R50 N57	V33-A53 HydrophobicContact CG2-CB 4Å; A44-A53 HydrophobicContact CB-CB 4.32Å; G49-A53 WeakPolarHBondContact O-CB 3.38Å; G49-A53 PolarHBondContact O-N 3.24Å; R50-A53 PolarHBondContact O-N 2.98Å; A53-N57 WeakPolarHBondContact O-CB 3.19Å; A53-N57 PolarHBondContact O-N 3.48Å; A53-N57 PolarHBondContact O-ND2 3.33Å; A53-N57 VanDerWaalsContact O-ND2 3.14Å
54	E	94.4	Very high	88.5	Confident	122 Å²	122	74 Å²	74	57%	0.57	38%	0.38	S	S	*	.	H	α-helix	trans	-60.9	-46.8	176.9	-72.3	172.5	-172.9	0	0	111.6	R50 N57 S58	R50-E54 WeakPolarHBondContact CG-OE1 3.3Å; R50-E54 WeakPolarHBondContact O-CG 3.08Å; R50-E54 PolarHBondContact O-N 3.23Å; E54-N57 PolarHBondContact O-N 3.39Å; E54-S58 WeakPolarHBondContact O-CB 3.39Å; E54-S58 PolarHBondContact O-N 2.84Å
55	H	89.1	Confident	87.1	Confident	107 Å²	107	73.5 Å²	73.5	50%	0.495	37%	0.371	S	S	.	.	H	α-helix	trans	-62.5	-47.1	179.7	-179.4	62.4	0	0	0	112.2	P51 A52 S58 Q59	P51-H55 WeakPolarHBondContact O-CB 3.39Å; P51-H55 PolarHBondContact O-N 3.47Å; A52-H55 PolarHBondContact O-N 2.93Å; H55-S58 PolarHBondContact O-N 2.89Å; H55-S58 PolarHBondContact O-OG 3.14Å; H55-Q59 PolarHBondContact CD2-NE2 2.94Å; H55-Q59 PolarHBondContact NE2-NE2 3.34Å
56	W	87.9	Confident	85.6	Confident	55 Å²	55	70.9 Å²	70.9	21%	0.208	35%	0.354	C	S	.	.	H	α-helix	trans	-71	-35.5	-179.8	-63.3	-23.7	0	0	0	112.5	Y25 V33 Y42 A52 S58 Q59 L62	Y25-W56 AromaticContact CD1-CH2 3.89Å; Y25-W56 HydrophobicContact CD1-CH2 3.89Å; Y25-W56 AromaticContact CD2-CH2 3.99Å; Y25-W56 HydrophobicContact CD2-CH2 3.99Å; Y25-W56 AromaticContact CD2-CZ3 3.86Å; Y25-W56 HydrophobicContact CD2-CZ3 3.86Å; Y25-W56 AromaticContact CE1-CH2 3.84Å; Y25-W56 HydrophobicContact CE1-CH2 3.84Å; Y25-W56 AromaticContact CE2-CH2 3.99Å; Y25-W56 HydrophobicContact CE2-CH2 3.99Å; Y25-W56 AromaticContact CE2-CZ3 3.84Å; Y25-W56 HydrophobicContact CE2-CZ3 3.84Å; Y25-W56 AromaticContact CG-CH2 3.99Å; Y25-W56 HydrophobicContact CG-CH2 3.99Å; Y25-W56 HydrophobicContact CG-CZ3 4.29Å; Y25-W56 AromaticContact CZ-CH2 3.92Å; V33-W56 HydrophobicContact CB-CZ3 4.37Å; V33-W56 HydrophobicContact CG1-CE3 4.41Å; V33-W56 HydrophobicContact CG1-CH2 3.87Å; V33-W56 HydrophobicContact CG1-CZ3 3.42Å; V33-W56 VanDerWaalsContact CG1-CZ3 3.42Å; V33-W56 HydrophobicContact CG2-CE3 4.22Å; V33-W56 HydrophobicContact CG2-CZ3 3.98Å; Y42-W56 AromaticContact CD1-CE3 3.39Å; Y42-W56 HydrophobicContact CD1-CE3 3.39Å; Y42-W56 AromaticContact CD1-CZ3 3.75Å; Y42-W56 HydrophobicContact CD1-CZ3 3.75Å; Y42-W56 HydrophobicContact CD2-CB 3.8Å; Y42-W56 HydrophobicContact CD2-CE3 4.19Å; Y42-W56 AromaticContact CE1-CE3 3.55Å; Y42-W56 HydrophobicContact CE1-CE3 3.55Å; Y42-W56 AromaticContact CE1-CZ3 3.73Å; Y42-W56 HydrophobicContact CE1-CZ3 3.73Å; Y42-W56 HydrophobicContact CE2-CB 4.18Å; Y42-W56 HydrophobicContact CE2-CE3 4.35Å; Y42-W56 HydrophobicContact CG-CB 4.24Å; Y42-W56 AromaticContact CG-CE3 3.74Å; Y42-W56 HydrophobicContact CG-CE3 3.74Å; A52-W56 HydrophobicContact CB-CE3 4.49Å; A52-W56 HydrophobicContact CB-CH2 4.39Å; A52-W56 HydrophobicContact CB-CZ2 4.41Å; A52-W56 HydrophobicContact CB-CZ3 4.44Å; A52-W56 WeakPolarHBondContact O-CB 3.06Å; A52-W56 VanDerWaalsContact O-CG 3.24Å; A52-W56 PolarHBondContact O-N 2.85Å; W56-S58 VanDerWaalsContact C-N 3.25Å; W56-S58 PolarHBondContact O-N 2.86Å; W56-Q59 PolarHBondContact O-N 3.12Å; W56-Q59 VanDerWaalsContact O-N 3.17Å; W56-L62 HydrophobicContact CB-CD2 4.37Å
57	N	89.8	Confident	84.3	Confident	42 Å²	42	75.4 Å²	75.4	23%	0.225	37%	0.367	C	S	.	.	H	α-helix	trans	-69.9	-23.3	175.3	-70	-21.8	0	0	0	113.1	Y42 A53 E54 Q59 L63	Y42-N57 WeakPolarHBondContact CB-OD1 3.4Å; Y42-N57 PolarHBondContact N-OD1 2.85Å; Y42-N57 PolarHBondContact O-ND2 2.71Å; A53-N57 WeakPolarHBondContact O-CB 3.19Å; A53-N57 PolarHBondContact O-N 3.48Å; A53-N57 PolarHBondContact O-ND2 3.33Å; A53-N57 VanDerWaalsContact O-ND2 3.14Å; E54-N57 PolarHBondContact O-N 3.39Å; N57-Q59 PolarHBondContact O-N 3.06Å; N57-L63 HydrophobicContact CB-CD1 4.24Å; N57-L63 WeakPolarHBondContact O-CD1 3.4Å
58	S	90.4	Very high	82.6	Confident	81 Å²	81	70.6 Å²	70.6	57%	0.566	35%	0.354	S	S	*	.	H	α-helix	trans	-72	-20.1	173.5	79	0	0	0	0	113.1	E54 H55 W56 K60	E54-S58 WeakPolarHBondContact O-CB 3.39Å; E54-S58 PolarHBondContact O-N 2.84Å; H55-S58 PolarHBondContact O-N 2.89Å; H55-S58 PolarHBondContact O-OG 3.14Å; W56-S58 VanDerWaalsContact C-N 3.25Å; W56-S58 PolarHBondContact O-N 2.86Å; S58-K60 PolarHBondContact O-N 2.01Å
59	Q	86.5	Confident	80.4	Confident	71 Å²	71	76.7 Å²	76.7	33%	0.332	37%	0.369	S	S	.	.			trans	-88.3	87.6	-179	-66.6	178.1	62.5	0	0	110.4	H55 W56 N57 D61 L62 L63	H55-Q59 PolarHBondContact CD2-NE2 2.94Å; H55-Q59 PolarHBondContact NE2-NE2 3.34Å; W56-Q59 PolarHBondContact O-N 3.12Å; W56-Q59 VanDerWaalsContact O-N 3.17Å; N57-Q59 PolarHBondContact O-N 3.06Å; Q59-D61 VanDerWaalsContact C-N 3.29Å; Q59-D61 PolarHBondContact O-N 2.86Å; Q59-L62 HydrophobicContact CB-CB 3.85Å; Q59-L62 WeakPolarHBondContact O-CB 2.86Å; Q59-L62 PolarHBondContact O-N 3.45Å; Q59-L63 PolarHBondContact O-N 2.98Å
60	K	76.7	Confident	77.9	Confident	166 Å²	166	79.8 Å²	79.8	72%	0.722	40%	0.401	S	S	*	.	H	α-helix	trans	-53.5	-43	-176.7	-69.7	-173.6	179	-179.5	0	113.4	S58 L62 L63 E64	S58-K60 PolarHBondContact O-N 2.01Å; K60-L62 VanDerWaalsContact C-N 3.26Å; K60-L62 PolarHBondContact O-N 3.19Å; K60-L63 PolarHBondContact O-N 3.31Å; K60-E64 WeakPolarHBondContact O-CB 3.48Å; K60-E64 WeakPolarHBondContact O-CG 3.23Å; K60-E64 PolarHBondContact O-N 3.04Å
61	D	75.6	Confident	74.8	Confident	144 Å²	144	75.1 Å²	75.1	77%	0.77	39%	0.391	S	S	*	.	H	α-helix	trans	-62.8	-36.3	-179.5	-60.6	-22	0	0	0	112	Q59 Q65	Q59-D61 VanDerWaalsContact C-N 3.29Å; Q59-D61 PolarHBondContact O-N 2.86Å; D61-Q65 WeakPolarHBondContact O-CB 3.45Å; D61-Q65 PolarHBondContact O-N 2.99Å
62	L	70.5	Confident	72	Confident	31 Å²	31	78.5 Å²	78.5	16%	0.162	40%	0.399	C	S	.	.	H	α-helix	trans	-71.1	-42.5	176.9	-175.5	147.9	0	0	0	111.2	Y42 W56 Q59 K60 Q65 K66	Y42-L62 HydrophobicContact CD2-CD2 4.47Å; Y42-L62 HydrophobicContact CE2-CD2 3.66Å; W56-L62 HydrophobicContact CB-CD2 4.37Å; Q59-L62 HydrophobicContact CB-CB 3.85Å; Q59-L62 WeakPolarHBondContact O-CB 2.86Å; Q59-L62 PolarHBondContact O-N 3.45Å; K60-L62 VanDerWaalsContact C-N 3.26Å; K60-L62 PolarHBondContact O-N 3.19Å; L62-Q65 PolarHBondContact O-N 3.46Å; L62-K66 HydrophobicContact CD2-CG 4.37Å; L62-K66 WeakPolarHBondContact O-CB 3.38Å; L62-K66 WeakPolarHBondContact O-CG 3.29Å; L62-K66 PolarHBondContact O-N 3.23Å
63	L	74.8	Confident	69.6	Low	11 Å²	11	82.6 Å²	82.6	6%	0.058	42%	0.418	C	S	.	.	H	α-helix	trans	-65.4	-47.1	176.1	-83.9	-179.2	0	0	0	112.6	F35 E41 Y42 N57 Q59 K60 Q65 K66 R67	F35-L63 HydrophobicContact CD2-CD2 4.45Å; F35-L63 HydrophobicContact CE2-CD2 4.15Å; E41-L63 HydrophobicContact CB-CD2 4.42Å; Y42-L63 HydrophobicContact CD2-CD2 4.41Å; N57-L63 HydrophobicContact CB-CD1 4.24Å; N57-L63 WeakPolarHBondContact O-CD1 3.4Å; Q59-L63 PolarHBondContact O-N 2.98Å; K60-L63 PolarHBondContact O-N 3.31Å; L63-Q65 VanDerWaalsContact C-N 3.26Å; L63-Q65 PolarHBondContact O-N 3.22Å; L63-K66 CarbonylContact O-C 3.58Å; L63-K66 PolarHBondContact O-N 3.37Å; L63-R67 WeakPolarHBondContact O-CB 3.42Å; L63-R67 WeakPolarHBondContact O-CD 3.26Å; L63-R67 WeakPolarHBondContact O-CG 3.36Å; L63-R67 PolarHBondContact O-N 3.42Å
64	E	74.4	Confident	67.4	Low	109 Å²	109	83.4 Å²	83.4	51%	0.509	42%	0.421	S	S	.	.	H	α-helix	trans	-63.1	-36.9	178.2	-70.1	-55	131.4	0	0	111.2	K60 K66 R67 G68	K60-E64 WeakPolarHBondContact O-CB 3.48Å; K60-E64 WeakPolarHBondContact O-CG 3.23Å; K60-E64 PolarHBondContact O-N 3.04Å; E64-K66 PolarHBondContact O-N 3.28Å; E64-R67 PolarHBondContact O-N 3.49Å; E64-R67 IonicContact OE1-CZ 3.32Å; E64-R67 IonicContact OE1-NH1 2.81Å; E64-R67 PolarHBondContact OE1-NH1 2.97Å; E64-G68 PolarHBondContact O-N 2.92Å
65	Q	68.2	Low	64.9	Low	32 Å²	32	83.3 Å²	83.3	15%	0.15	42%	0.42	C	S	.	.	H	α-helix	trans	-65.7	-34.8	171.8	175.6	177.7	71.1	0	0	113.2	D61 L62 L63 L73 L74	D61-Q65 WeakPolarHBondContact O-CB 3.45Å; D61-Q65 PolarHBondContact O-N 2.99Å; L62-Q65 PolarHBondContact O-N 3.46Å; L63-Q65 VanDerWaalsContact C-N 3.26Å; L63-Q65 PolarHBondContact O-N 3.22Å; Q65-L73 VanDerWaalsContact OE1-CB 3.28Å; Q65-L74 HydrophobicContact CG-CD1 4.36Å; Q65-L74 WeakPolarHBondContact O-CD1 3.44Å
66	K	65.9	Low	62.8	Low	14 Å²	14	83.9 Å²	83.9	6%	0.061	43%	0.432	C	S	.	.	H	α-helix	trans	-78.1	-28.4	177	-70.6	-81.7	177.6	168	0	112.4	D23 F35 Y42 L62 L63 E64	D23-K66 IonicContact OD2-NZ 3.6Å; D23-K66 PolarHBondContact OD2-NZ 3.23Å; F35-K66 HydrophobicContact CD1-CB 4.4Å; F35-K66 HydrophobicContact CD2-CB 4.19Å; F35-K66 HydrophobicContact CE1-CB 3.89Å; F35-K66 HydrophobicContact CE2-CB 3.66Å; F35-K66 HydrophobicContact CZ-CB 3.5Å; Y42-K66 VanDerWaalsContact OH-CE 3.24Å; Y42-K66 WeakPolarHBondContact OH-CE 3.38Å; Y42-K66 PolarHBondContact OH-NZ 3.39Å; L62-K66 HydrophobicContact CD2-CG 4.37Å; L62-K66 WeakPolarHBondContact O-CB 3.38Å; L62-K66 WeakPolarHBondContact O-CG 3.29Å; L62-K66 PolarHBondContact O-N 3.23Å; L63-K66 CarbonylContact O-C 3.58Å; L63-K66 PolarHBondContact O-N 3.37Å; E64-K66 PolarHBondContact O-N 3.28Å
67	R	68.8	Low	60.8	Low	126 Å²	126	84.1 Å²	84.1	48%	0.475	44%	0.435	S	S	.	.	H	α-helix	trans	-75.7	-35.6	172.7	-70.1	165.2	-179.7	175.3	-3	112.1	G40 L63 E64	G40-R67 PolarHBondContact O-NE 3.01Å; G40-R67 PolarHBondContact O-NH2 3.37Å; L63-R67 WeakPolarHBondContact O-CB 3.42Å; L63-R67 WeakPolarHBondContact O-CD 3.26Å; L63-R67 WeakPolarHBondContact O-CG 3.36Å; L63-R67 PolarHBondContact O-N 3.42Å; E64-R67 PolarHBondContact O-N 3.49Å; E64-R67 IonicContact OE1-CZ 3.32Å; E64-R67 IonicContact OE1-NH1 2.81Å; E64-R67 PolarHBondContact OE1-NH1 2.97Å
68	G	58.8	Low	58.8	Low	32 Å²	32	83.4 Å²	83.4	33%	0.33	43%	0.431	S	S	.	.	S	Bend	trans	-90	146.7	178.9	0	0	0	0	0	113	E64 G70	E64-G68 PolarHBondContact O-N 2.92Å; G68-G70 PolarHBondContact O-N 2.97Å
69	R	46.7	Very low	56.7	Low	233 Å²	233	86.5 Å²	86.5	88%	0.879	43%	0.43	S	S	*	.	S	Bend	trans	-70.9	12.2	176.4	-61.4	-176.4	-152.2	-143.4	2.7	114.4
70	G	39.9	Very low	54.9	Low	64 Å²	64	85.3 Å²	85.3	66%	0.66	44%	0.437	S	S	*	.			trans	-152.7	101.6	-167.6	0	0	0	0	0	113.8	G68	G68-G70 PolarHBondContact O-N 2.97Å
71	G	32.8	Very low	53.8	Low	26 Å²	26	78.3 Å²	78.3	27%	0.268	41%	0.409	S	S	.	.			trans	-172	159.3	159.7	0	0	0	0	0	112.4	L73 L74	G71-L73 PolarHBondContact O-N 3.46Å; G71-L74 WeakPolarHBondContact O-CA 3.17Å; G71-L74 WeakPolarHBondContact O-CB 3.06Å; G71-L74 PolarHBondContact O-N 3.46Å
72	H	36.9	Very low	52.3	Low	155 Å²	155	74 Å²	74	72%	0.718	40%	0.398	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64	-25.6	-162.5	-157.2	28.7	0	0	0	116.4	L74 Q75	H72-L74 VanDerWaalsContact C-N 3.27Å; H72-L74 PolarHBondContact O-N 3.11Å; H72-Q75 PolarHBondContact ND1-OE1 3.15Å; H72-Q75 PolarHBondContact O-N 2.78Å
73	L	39.7	Very low	51	Low	107 Å²	107	78 Å²	78	56%	0.56	42%	0.417	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.8	-16.8	172.6	-73.6	128.7	0	0	0	113	Q65 G71 Q75	Q65-L73 VanDerWaalsContact OE1-CB 3.28Å; G71-L73 PolarHBondContact O-N 3.46Å; L73-Q75 PolarHBondContact O-N 2.82Å
74	L	47	Very low	49.3	Very low	23 Å²	23	82.7 Å²	82.7	12%	0.12	44%	0.441	C	S	.	.	H	α-helix	trans	-69.8	-24.2	174.6	-144.1	119.9	0	0	0	111	Q65 G71 H72 T76 Q77 L78	Q65-L74 HydrophobicContact CG-CD1 4.36Å; Q65-L74 WeakPolarHBondContact O-CD1 3.44Å; G71-L74 WeakPolarHBondContact O-CA 3.17Å; G71-L74 WeakPolarHBondContact O-CB 3.06Å; G71-L74 PolarHBondContact O-N 3.46Å; H72-L74 VanDerWaalsContact C-N 3.27Å; H72-L74 PolarHBondContact O-N 3.11Å; L74-T76 PolarHBondContact O-N 3.28Å; L74-T76 VanDerWaalsContact O-N 3.15Å; L74-Q77 PolarHBondContact O-N 2.78Å; L74-L78 HydrophobicContact CB-CB 4.37Å; L74-L78 HydrophobicContact CD1-CD1 3.32Å; L74-L78 HydrophobicContact CD1-CG 4.45Å; L74-L78 HydrophobicContact CD2-CB 3.26Å; L74-L78 HydrophobicContact CD2-CD1 3.41Å; L74-L78 VanDerWaalsContact CD2-CD1 3.41Å; L74-L78 HydrophobicContact CD2-CG 3.77Å; L74-L78 HydrophobicContact CG-CB 3.5Å; L74-L78 VanDerWaalsContact CG-CB 3.5Å; L74-L78 HydrophobicContact CG-CD1 3.12Å; L74-L78 HydrophobicContact CG-CG 3.75Å; L74-L78 WeakPolarHBondContact O-CA 3.27Å; L74-L78 VanDerWaalsContact O-CB 3.29Å; L74-L78 WeakPolarHBondContact O-CB 3.35Å; L74-L78 PolarHBondContact O-N 3.35Å
75	Q	43.3	Very low	47.5	Very low	120 Å²	120	83.2 Å²	83.2	56%	0.561	44%	0.443	S	S	*	.	H	α-helix	trans	-65.9	-17.1	-178.4	-102.8	179.6	-1.3	0	0	114.4	H72 L73 R79	H72-Q75 PolarHBondContact ND1-OE1 3.15Å; H72-Q75 PolarHBondContact O-N 2.78Å; L73-Q75 PolarHBondContact O-N 2.82Å; Q75-R79 WeakPolarHBondContact O-CD 3.41Å; Q75-R79 VanDerWaalsContact O-CG 3.27Å; Q75-R79 WeakPolarHBondContact O-CG 3.4Å; Q75-R79 PolarHBondContact O-NE 2.99Å
76	T	43.6	Very low	45.7	Very low	120 Å²	120	87.5 Å²	87.5	74%	0.736	48%	0.476	S	S	*	.	H	α-helix	trans	-98.5	-32.3	176.7	-14.3	0	0	0	0	112.3	L74	L74-T76 PolarHBondContact O-N 3.28Å; L74-T76 VanDerWaalsContact O-N 3.15Å
77	Q	47.1	Very low	43.9	Very low	59 Å²	59	91.3 Å²	91.3	28%	0.276	51%	0.511	S	S	.	.	H	α-helix	trans	-102.5	-25.2	-175.5	-77.7	170	-26.4	0	0	114.6	Y25 L74	Y25-Q77 PolarHBondContact OH-NE2 2.76Å; Y25-Q77 VanDerWaalsContact OH-NE2 3.11Å; L74-Q77 PolarHBondContact O-N 2.78Å
78	L	46.5	Very low	42.3	Very low	28 Å²	28	89.6 Å²	89.6	15%	0.147	52%	0.524	C	S	.	.	S	Bend	trans	-105.5	5.4	-177.8	-92.5	159.4	0	0	0	114.1	F21 L74 G80 C81 G82	F21-L78 HydrophobicContact CD1-CD1 4.02Å; F21-L78 HydrophobicContact CD2-CD1 4.47Å; F21-L78 HydrophobicContact CD2-CD2 3.71Å; F21-L78 HydrophobicContact CD2-CG 4.21Å; F21-L78 HydrophobicContact CE1-CD1 3.79Å; F21-L78 HydrophobicContact CE1-CG 4.22Å; F21-L78 HydrophobicContact CE2-CD1 4.27Å; F21-L78 HydrophobicContact CE2-CD2 3.78Å; F21-L78 HydrophobicContact CE2-CG 3.82Å; F21-L78 HydrophobicContact CG-CD1 4.34Å; F21-L78 HydrophobicContact CG-CD2 4.12Å; F21-L78 HydrophobicContact CZ-CD1 3.93Å; F21-L78 HydrophobicContact CZ-CD2 4.25Å; F21-L78 HydrophobicContact CZ-CG 3.83Å; L74-L78 HydrophobicContact CB-CB 4.37Å; L74-L78 HydrophobicContact CD1-CD1 3.32Å; L74-L78 HydrophobicContact CD1-CG 4.45Å; L74-L78 HydrophobicContact CD2-CB 3.26Å; L74-L78 HydrophobicContact CD2-CD1 3.41Å; L74-L78 VanDerWaalsContact CD2-CD1 3.41Å; L74-L78 HydrophobicContact CD2-CG 3.77Å; L74-L78 HydrophobicContact CG-CB 3.5Å; L74-L78 VanDerWaalsContact CG-CB 3.5Å; L74-L78 HydrophobicContact CG-CD1 3.12Å; L74-L78 HydrophobicContact CG-CG 3.75Å; L74-L78 WeakPolarHBondContact O-CA 3.27Å; L74-L78 VanDerWaalsContact O-CB 3.29Å; L74-L78 WeakPolarHBondContact O-CB 3.35Å; L74-L78 PolarHBondContact O-N 3.35Å; L78-G80 PolarHBondContact O-N 2.83Å; L78-G80 VanDerWaalsContact O-N 3.14Å; L78-C81 HydrophobicContact CD2-CB 3.47Å; L78-C81 VanDerWaalsContact CD2-CB 3.47Å; L78-C81 WeakPolarHBondContact CD2-SG 3.46Å; L78-C81 PolarHBondContact O-N 2.86Å; L78-G82 PolarHBondContact O-N 3.28Å; L78-G82 VanDerWaalsContact O-N 3.12Å
79	R	47.8	Very low	41	Very low	145 Å²	145	95.9 Å²	95.9	55%	0.547	57%	0.572	S	S	.	*	H	α-helix	trans	-47.9	-36.1	160.8	-90.4	178.2	-167.9	-123.7	8.6	111.4	Q75 E83	Q75-R79 WeakPolarHBondContact O-CD 3.41Å; Q75-R79 VanDerWaalsContact O-CG 3.27Å; Q75-R79 WeakPolarHBondContact O-CG 3.4Å; Q75-R79 PolarHBondContact O-NE 2.99Å; R79-E83 HydrophobicContact CB-CG 4.48Å; R79-E83 IonicContact NH1-OE1 3.77Å; R79-E83 VanDerWaalsContact O-CB 3.23Å; R79-E83 WeakPolarHBondContact O-CB 3.23Å; R79-E83 WeakPolarHBondContact O-CG 3.15Å; R79-E83 PolarHBondContact O-N 2.76Å
80	G	46.9	Very low	40.8	Very low	46 Å²	46	89 Å²	89	47%	0.474	56%	0.557	S	S	.	*	H	α-helix	trans	-65.8	-33.9	176.3	0	0	0	0	0	116.5	L78	L78-G80 PolarHBondContact O-N 2.83Å; L78-G80 VanDerWaalsContact O-N 3.14Å
81	C	54.3	Low	40.8	Very low	20 Å²	20	90.3 Å²	90.3	14%	0.135	55%	0.551	C	S	.	*	H	α-helix	trans	-88.6	-25.4	177.2	-60	0	0	0	0	112.9	C10 F21 L78	C10-C81 HydrophobicContact CB-CB 4.06Å; C10-C81 WeakPolarHBondContact CB-SG 3.28Å; C10-C81 WeakPolarHBondContact SG-CA 3.4Å; C10-C81 WeakPolarHBondContact SG-CB 3.36Å; C10-C81 PolarHBondContact SG-N 3.1Å; C10-C81 CovalentContact SG-SG 2.01Å; C10-C81 PolarHBondContact SG-SG 3.28Å; F21-C81 VanDerWaalsContact CD2-SG 3.56Å; L78-C81 HydrophobicContact CD2-CB 3.47Å; L78-C81 VanDerWaalsContact CD2-CB 3.47Å; L78-C81 WeakPolarHBondContact CD2-SG 3.46Å; L78-C81 PolarHBondContact O-N 2.86Å
82	G	44.5	Very low	41.2	Very low	52 Å²	52	93.9 Å²	93.9	54%	0.536	57%	0.567	S	S	.	*	H	α-helix	trans	-92.4	-32.7	-176.1	0	0	0	0	0	115.3	L78 L84	L78-G82 PolarHBondContact O-N 3.28Å; L78-G82 VanDerWaalsContact O-N 3.12Å; G82-L84 PolarHBondContact O-N 3.07Å
83	E	43.3	Very low	41.5	Very low	117 Å²	117	90.3 Å²	90.3	55%	0.547	56%	0.558	S	S	.	*	G	3₁₀ helix	trans	-78.1	-15.3	-174.9	-69.9	175.6	154.8	0	0	113.7	R79 H85 S86	R79-E83 HydrophobicContact CB-CG 4.48Å; R79-E83 IonicContact NH1-OE1 3.77Å; R79-E83 VanDerWaalsContact O-CB 3.23Å; R79-E83 WeakPolarHBondContact O-CB 3.23Å; R79-E83 WeakPolarHBondContact O-CG 3.15Å; R79-E83 PolarHBondContact O-N 2.76Å; E83-H85 PolarHBondContact O-N 3.06Å; E83-S86 PolarHBondContact O-N 3.24Å
84	L	39.8	Very low	41.6	Very low	109 Å²	109	89.3 Å²	89.3	57%	0.571	56%	0.558	S	S	*	*	G	3₁₀ helix	trans	-65.1	-16.8	174.2	-85.5	162.1	0	0	0	113.7	F12 G82	F12-L84 HydrophobicContact CE2-CD1 4.21Å; F12-L84 HydrophobicContact CZ-CD1 4.48Å; G82-L84 PolarHBondContact O-N 3.07Å
85	H	36.3	Very low	41.3	Very low	119 Å²	119	93.7 Å²	93.7	55%	0.551	59%	0.587	S	S	*	*	G	3₁₀ helix	trans	-85.6	-13.3	178.4	-101.3	-103.4	0	0	0	114.9	T16 E83 A87	T16-H85 WeakPolarHBondContact CG2-NE2 3.31Å; E83-H85 PolarHBondContact O-N 3.06Å; H85-A87 VanDerWaalsContact C-N 3.33Å
86	S	29.2	Very low	41.1	Very low	122 Å²	122	91.8 Å²	91.8	85%	0.853	59%	0.589	S	S	*	*	G	3₁₀ helix	trans	-87.2	-2.4	175.3	-104.3	0	0	0	0	113.9	E83	E83-S86 PolarHBondContact O-N 3.24Å
87	A	29.2	Very low	40.9	Very low	95 Å²	95	89.6 Å²	89.6	79%	0.785	58%	0.578	S	S	*	*	S	Bend	trans	-114	6.8	179.2	0	0	0	0	0	113.9	H85	H85-A87 VanDerWaalsContact C-N 3.33Å
88	A	33.8	Very low	40.4	Very low	90 Å²	90	92.2 Å²	92.2	74%	0.744	60%	0.603	S	S	*	*			trans	-129.2	25.6	-177.9	0	0	0	0	0	113.9
89	A	33.3	Very low	39.8	Very low	163 Å²	163	98 Å²	98	100%	1.347	65%	0.645	S	S	*	*			trans	-122.8	0	167.1	0	0	0	0	0	109.9

Retrieved 89 of 89 residues in 71.6 ms (Link to these results)

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