A0A068LN07_HUMAN Loading...

Ig heavy chain variable region

AlphaFold DB , UniProt , Accession A0A068LN07, Species HUMAN (Homo sapiens, Human), Gene n/a, Length 117 aa.

						>A0A068LN07_HUMAN|A0A068LN07
QVQLVESGGGVVEPGRSLRLSCAASGFTFITYGMHWVRQAPAKGLEWVTLISYDGSNKYYADSVKGRFTVSRDNSKNTLYLQMNSLRPEDTAVYYCARIDIGLMDVWGQGTTVTVSS
					

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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	Q	83.8	Confident	96.3	Very high	196 Å²	196	65.3 Å²	65.3	92%	0.916	40%	0.398	S	S	*	.				0	139.9	0	-171.8	171.6	23.7	0	0	108
2	V	93.8	Very high	96.4	Very high	61 Å²	61	61.7 Å²	61.7	37%	0.37	38%	0.376	S	S	.	.			trans	-78.5	129.6	177.9	178.9	0	0	0	0	108.8	S25 G26 F27 V106	V2-S25 WeakPolarHBondContact CA-O 3.44Å; V2-G26 WeakPolarHBondContact CG2-O 3.42Å; V2-F27 HydrophobicContact CG1-CD1 3.6Å; V2-F27 HydrophobicContact CG1-CE1 4.15Å; V2-F27 HydrophobicContact CG1-CG 4.43Å; V2-V106 HydrophobicContact CG1-CB 4.25Å; V2-V106 HydrophobicContact CG1-CG1 3.55Å; V2-V106 HydrophobicContact CG1-CG2 3.7Å
3	Q	96	Very high	96.5	Very high	91 Å²	91	64.4 Å²	64.4	43%	0.425	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	147.2	-179	-64.1	-176.7	-15.6	0	0	112.2	S25	Q3-S25 PolarHBondContact N-O 2.86Å; Q3-S25 PolarHBondContact O-N 3.33Å
4	L	98.3	Very high	96.6	Very high	7 Å²	7	64.3 Å²	64.3	4%	0.037	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	128.3	169	-66.9	179.4	0	0	0	107.5	A23 A24 F27 M34 C96 V106 G108	L4-A23 WeakPolarHBondContact CA-O 3.47Å; L4-A24 HydrophobicContact CD2-CB 3.65Å; L4-F27 HydrophobicContact CD2-CE1 3.81Å; L4-F27 HydrophobicContact CD2-CZ 3.87Å; L4-M34 HydrophobicContact CD1-CE 4.07Å; L4-M34 HydrophobicContact CD2-CE 3.83Å; L4-C96 WeakPolarHBondContact CD1-O 3.47Å; L4-V106 HydrophobicContact CD1-CB 4.49Å; L4-V106 HydrophobicContact CD1-CG1 3.86Å; L4-V106 HydrophobicContact CG-CG1 3.9Å; L4-G108 WeakPolarHBondContact O-CA 3.34Å
5	V	98.5	Very high	96.7	Very high	81 Å²	81	63.4 Å²	63.4	49%	0.491	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	109.6	-174.6	-177.2	0	0	0	0	110	C22 A23	V5-C22 WeakPolarHBondContact O-CA 3.29Å; V5-A23 PolarHBondContact N-O 2.99Å; V5-A23 PolarHBondContact O-N 2.9Å
6	E	98.7	Very high	96.8	Very high	20 Å²	20	68.3 Å²	68.3	9%	0.093	40%	0.402	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	145.7	178	-59.8	92.3	155	0	0	113.7	S21 C22 W36 Y95 C96 G108 Q109 G110 T111	E6-S21 CarbonylContact C-O 3.57Å; E6-S21 VanDerWaalsContact CA-O 3.25Å; E6-S21 WeakPolarHBondContact CA-O 3.34Å; E6-C22 HydrophobicContact CG-CB 4.27Å; E6-W36 HydrophobicContact CG-CH2 3.94Å; E6-W36 HydrophobicContact CG-CZ3 3.91Å; E6-Y95 VanDerWaalsContact OE1-CA 3.28Å; E6-Y95 WeakPolarHBondContact OE1-CA 3.36Å; E6-C96 VanDerWaalsContact CD-SG 3.58Å; E6-C96 HydrophobicContact CG-CB 4.43Å; E6-C96 PolarHBondContact OE1-N 3.15Å; E6-C96 PolarHBondContact OE1-SG 3.47Å; E6-C96 VanDerWaalsContact OE1-SG 3.33Å; E6-G108 WeakPolarHBondContact OE1-CA 3.32Å; E6-G108 WeakPolarHBondContact OE2-CA 3.16Å; E6-Q109 PolarHBondContact OE2-N 3.25Å; E6-Q109 VanDerWaalsContact OE2-N 3.11Å; E6-G110 VanDerWaalsContact CD-N 3.34Å; E6-G110 PolarHBondContact OE1-N 3.12Å; E6-G110 PolarHBondContact OE2-N 3.42Å; E6-T111 HydrophobicContact CB-CG2 3.9Å
7	S	98.5	Very high	96.8	Very high	59 Å²	59	67.7 Å²	67.7	41%	0.413	40%	0.403	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.5	169	172.9	61.8	0	0	0	0	111.6	L20 S21	S7-L20 WeakPolarHBondContact O-CA 3.32Å; S7-S21 PolarHBondContact N-O 2.96Å; S7-S21 PolarHBondContact O-N 2.93Å; S7-S21 PolarHBondContact OG-OG 3.37Å
8	G	97.8	Very high	96.9	Very high	37 Å²	37	65.9 Å²	65.9	38%	0.381	39%	0.391	S	S	.	.			trans	91.4	1.9	178.8	0	0	0	0	0	114.9	L20	G8-L20 VanDerWaalsContact C-CD2 3.44Å; G8-L20 WeakPolarHBondContact O-CD2 3.28Å
9	G	97.8	Very high	97	Very high	29 Å²	29	69.1 Å²	69.1	30%	0.299	40%	0.395	S	S	.	.			trans	-66.7	166.4	165.7	0	0	0	0	0	112.2	T111 T112	G9-T111 WeakPolarHBondContact CA-OG1 3.41Å; G9-T111 PolarHBondContact N-OG1 2.98Å; G9-T112 CarbonylContact C-O 3.4Å; G9-T112 VanDerWaalsContact CA-O 3.27Å; G9-T112 WeakPolarHBondContact CA-O 3.36Å
10	G	97.7	Very high	97.1	Very high	30 Å²	30	65.7 Å²	65.7	31%	0.309	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	161.9	-174.3	-177.3	0	0	0	0	0	112.8	T112 T114	G10-T112 PolarHBondContact N-O 2.57Å; G10-T114 PolarHBondContact O-N 3.05Å
11	V	98.1	Very high	97.2	Very high	107 Å²	107	63.8 Å²	63.8	65%	0.648	37%	0.367	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-94.1	135.6	174.6	-173.7	0	0	0	0	109	T114 S116	V11-T114 CarbonylContact C-O 3.54Å; V11-T114 WeakPolarHBondContact CA-O 3.29Å; V11-T114 HydrophobicContact CG1-CG2 4.49Å; V11-S116 WeakPolarHBondContact CG1-OG 3.05Å
12	V	97.4	Very high	97.9	Very high	22 Å²	22	54.5 Å²	54.5	13%	0.133	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.4	147.9	178.5	75.7	0	0	0	0	111.4	R16 L18 L86 T114 V115 S116	V12-R16 HydrophobicContact CG2-CB 3.38Å; V12-R16 HydrophobicContact CG2-CG 3.99Å; V12-L18 HydrophobicContact CB-CD1 4.05Å; V12-L18 HydrophobicContact CB-CG 4.2Å; V12-L18 HydrophobicContact CG1-CD1 3.79Å; V12-L18 HydrophobicContact CG1-CG 4.13Å; V12-L18 HydrophobicContact CG2-CG 4.39Å; V12-L86 HydrophobicContact CG1-CB 4.48Å; V12-L86 HydrophobicContact CG1-CD1 3.53Å; V12-T114 PolarHBondContact N-O 3.07Å; V12-V115 HydrophobicContact CG1-CG2 4.2Å; V12-V115 VanDerWaalsContact O-CA 3.29Å; V12-V115 WeakPolarHBondContact O-CA 3.35Å; V12-S116 PolarHBondContact O-N 2.7Å; V12-S116 VanDerWaalsContact O-N 3.07Å
13	E	97.9	Very high	98.1	Very high	97 Å²	97	53.8 Å²	53.8	45%	0.453	32%	0.324	S	S	.	.			trans	-65.7	150.4	173.6	-64.1	175.3	160.1	0	0	111.9	R16 S116	E13-R16 HydrophobicContact CB-CG 3.88Å; E13-R16 VanDerWaalsContact O-CB 3.31Å; E13-R16 WeakPolarHBondContact O-CB 3.27Å; E13-R16 WeakPolarHBondContact O-CG 3.44Å; E13-R16 PolarHBondContact O-N 3.26Å; E13-R16 IonicContact OE2-CZ 3.3Å; E13-R16 IonicContact OE2-NE 3.6Å; E13-R16 PolarHBondContact OE2-NE 3.03Å; E13-R16 IonicContact OE2-NH2 3.51Å; E13-R16 PolarHBondContact OE2-NH2 2.98Å; E13-S116 WeakPolarHBondContact CA-O 3.31Å
14	P	98.3	Very high	98.2	Very high	63 Å²	63	50 Å²	50	41%	0.409	31%	0.308	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.9	142.4	170.4	-24.9	33.7	0	0	0	113	R16 P88 V115	P14-R16 PolarHBondContact O-N 3.2Å; P14-P88 HydrophobicContact CG-CG 4.49Å; P14-V115 HydrophobicContact CB-CG1 4.3Å; P14-V115 HydrophobicContact CG-CG1 4.09Å
15	G	97.6	Very high	98.1	Very high	51 Å²	51	52.1 Å²	52.1	53%	0.526	32%	0.323	S	S	.	.	T	Hydrogen-bonded Turn	trans	82.6	-12.9	-179.6	0	0	0	0	0	114.9	L86	G15-L86 PolarHBondContact N-O 3.48Å
16	R	98.1	Very high	98	Very high	142 Å²	142	50.9 Å²	50.9	54%	0.536	33%	0.327	S	S	.	.			trans	-78.3	177.7	175.5	-58.6	-62.7	-173	157.2	3.8	111.8	V12 E13 P14 S85 L86	V12-R16 HydrophobicContact CG2-CB 3.38Å; V12-R16 HydrophobicContact CG2-CG 3.99Å; E13-R16 HydrophobicContact CB-CG 3.88Å; E13-R16 VanDerWaalsContact O-CB 3.31Å; E13-R16 WeakPolarHBondContact O-CB 3.27Å; E13-R16 WeakPolarHBondContact O-CG 3.44Å; E13-R16 PolarHBondContact O-N 3.26Å; E13-R16 IonicContact OE2-CZ 3.3Å; E13-R16 IonicContact OE2-NE 3.6Å; E13-R16 PolarHBondContact OE2-NE 3.03Å; E13-R16 IonicContact OE2-NH2 3.51Å; E13-R16 PolarHBondContact OE2-NH2 2.98Å; P14-R16 PolarHBondContact O-N 3.2Å; R16-S85 PolarHBondContact O-N 2.97Å; R16-L86 WeakPolarHBondContact O-CB 3.48Å; R16-L86 PolarHBondContact O-N 2.91Å
17	S	98.1	Very high	97.8	Very high	58 Å²	58	51.3 Å²	51.3	41%	0.406	33%	0.329	S	S	.	.			trans	-119.9	150	179.5	-58.6	0	0	0	0	112	M83 N84	S17-M83 CarbonylContact C-O 3.57Å; S17-M83 WeakPolarHBondContact CA-O 3.32Å; S17-M83 VanDerWaalsContact CB-O 3.27Å; S17-M83 WeakPolarHBondContact CB-O 3.43Å; S17-N84 WeakPolarHBondContact OG-CA 3.16Å; S17-N84 PolarHBondContact OG-OD1 3.08Å
18	L	97.8	Very high	97.6	Very high	36 Å²	36	52.8 Å²	52.8	19%	0.188	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	163.4	167.4	-75.9	174	0	0	0	109.9	V12 Q82 M83 L86 V113	V12-L18 HydrophobicContact CB-CD1 4.05Å; V12-L18 HydrophobicContact CB-CG 4.2Å; V12-L18 HydrophobicContact CG1-CD1 3.79Å; V12-L18 HydrophobicContact CG1-CG 4.13Å; V12-L18 HydrophobicContact CG2-CG 4.39Å; L18-Q82 PolarHBondContact O-NE2 3.08Å; L18-M83 PolarHBondContact N-O 3.22Å; L18-M83 PolarHBondContact O-N 3.48Å; L18-L86 HydrophobicContact CB-CD1 4Å; L18-L86 HydrophobicContact CD1-CD1 4.03Å; L18-L86 HydrophobicContact CG-CD1 3.97Å; L18-V113 HydrophobicContact CD1-CG1 4Å
19	R	98.6	Very high	97.5	Very high	126 Å²	126	51 Å²	51	48%	0.475	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	116.7	172.4	-173.5	176.2	174.6	-179.6	-1.8	109.7	Y80 L81	R19-Y80 VanDerWaalsContact NH2-CG 3.29Å; R19-L81 WeakPolarHBondContact CA-O 3.42Å
20	L	98.9	Very high	97.4	Very high	0 Å²	0	53.8 Å²	53.8	0%	0	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	149.4	171.6	-49.2	-175.5	0	0	0	109.9	S7 G8 W36 Y80 L81 M83 Y94 T111 V113	S7-L20 WeakPolarHBondContact O-CA 3.32Å; G8-L20 VanDerWaalsContact C-CD2 3.44Å; G8-L20 WeakPolarHBondContact O-CD2 3.28Å; L20-W36 HydrophobicContact CB-CH2 3.73Å; L20-W36 HydrophobicContact CB-CZ2 3.99Å; L20-W36 HydrophobicContact CB-CZ3 4.33Å; L20-W36 HydrophobicContact CD1-CE3 4.44Å; L20-W36 HydrophobicContact CD1-CH2 4.28Å; L20-W36 HydrophobicContact CD1-CZ3 4.02Å; L20-Y80 VanDerWaalsContact O-CA 3.28Å; L20-Y80 WeakPolarHBondContact O-CA 3.38Å; L20-L81 HydrophobicContact CB-CB 4.27Å; L20-L81 HydrophobicContact CD1-CD2 4.38Å; L20-L81 PolarHBondContact N-O 2.89Å; L20-L81 PolarHBondContact O-N 2.91Å; L20-M83 HydrophobicContact CD1-SD 3.73Å; L20-M83 HydrophobicContact CD2-SD 4.3Å; L20-M83 HydrophobicContact CG-SD 3.71Å; L20-Y94 HydrophobicContact CD1-CD1 4.04Å; L20-Y94 HydrophobicContact CD1-CD2 4.37Å; L20-Y94 HydrophobicContact CD1-CG 3.75Å; L20-T111 HydrophobicContact CD1-CG2 4.07Å; L20-T111 HydrophobicContact CD2-CG2 3.94Å; L20-T111 HydrophobicContact CG-CG2 4.49Å; L20-V113 HydrophobicContact CD1-CG2 4.22Å; L20-V113 HydrophobicContact CD2-CG2 3.87Å
21	S	98.8	Very high	97.3	Very high	27 Å²	27	56.1 Å²	56.1	19%	0.189	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	152.6	167.1	53.5	0	0	0	0	110.5	E6 S7 L79	E6-S21 CarbonylContact C-O 3.57Å; E6-S21 VanDerWaalsContact CA-O 3.25Å; E6-S21 WeakPolarHBondContact CA-O 3.34Å; S7-S21 PolarHBondContact N-O 2.96Å; S7-S21 PolarHBondContact O-N 2.93Å; S7-S21 PolarHBondContact OG-OG 3.37Å; S21-L79 CarbonylContact C-O 3.59Å; S21-L79 VanDerWaalsContact CA-O 3.26Å; S21-L79 WeakPolarHBondContact CA-O 3.26Å
22	C	98.8	Very high	97.2	Very high	0 Å²	0	53.4 Å²	53.4	0%	0	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	109.7	173.7	163	0	0	0	0	108.8	V5 E6 W36 T78 L79 C96	V5-C22 WeakPolarHBondContact O-CA 3.29Å; E6-C22 HydrophobicContact CG-CB 4.27Å; C22-W36 HydrophobicContact CB-CH2 3.88Å; C22-W36 HydrophobicContact CB-CZ2 3.83Å; C22-T78 WeakPolarHBondContact O-CA 3.49Å; C22-L79 HydrophobicContact CB-CB 4.18Å; C22-L79 PolarHBondContact N-O 3.04Å; C22-L79 PolarHBondContact O-N 2.89Å; C22-C96 HydrophobicContact CB-CB 3.47Å; C22-C96 VanDerWaalsContact CB-CB 3.47Å; C22-C96 WeakPolarHBondContact CB-SG 3.39Å; C22-C96 WeakPolarHBondContact SG-CB 3.44Å; C22-C96 CovalentContact SG-SG 2.02Å; C22-C96 PolarHBondContact SG-SG 3.29Å
23	A	98.5	Very high	97.2	Very high	47 Å²	47	52.9 Å²	52.9	39%	0.388	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86	128.9	177.9	0	0	0	0	0	109.9	L4 V5	L4-A23 WeakPolarHBondContact CA-O 3.47Å; V5-A23 PolarHBondContact N-O 2.99Å; V5-A23 PolarHBondContact O-N 2.9Å
24	A	97.9	Very high	97.2	Very high	10 Å²	10	48.3 Å²	48.3	8%	0.083	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	138	-179.7	0	0	0	0	0	111.7	L4 F27 F29 N77	L4-A24 HydrophobicContact CD2-CB 3.65Å; A24-F27 HydrophobicContact CB-CE1 3.68Å; A24-F27 HydrophobicContact CB-CZ 3.58Å; A24-F29 HydrophobicContact CB-CB 4.46Å; A24-F29 HydrophobicContact CB-CD2 3.47Å; A24-F29 VanDerWaalsContact CB-CD2 3.47Å; A24-F29 HydrophobicContact CB-CE2 4.01Å; A24-F29 HydrophobicContact CB-CG 4.25Å; A24-N77 HydrophobicContact CB-CB 4.37Å; A24-N77 WeakPolarHBondContact CB-O 2.98Å; A24-N77 PolarHBondContact N-O 3.42Å; A24-N77 WeakPolarHBondContact O-CB 3.37Å
25	S	97.4	Very high	97.2	Very high	53 Å²	53	45.6 Å²	45.6	37%	0.371	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	157.1	173.9	67.8	0	0	0	0	111.9	V2 Q3 F27	V2-S25 WeakPolarHBondContact CA-O 3.44Å; Q3-S25 PolarHBondContact N-O 2.86Å; Q3-S25 PolarHBondContact O-N 3.33Å; S25-F27 WeakPolarHBondContact O-CD1 3.33Å; S25-F27 PolarHBondContact O-N 2.81Å
26	G	96.1	Very high	97.3	Very high	55 Å²	55	43.2 Å²	43.2	57%	0.567	25%	0.246	S	C	*	.	S	Bend	trans	80.6	7.3	178.3	0	0	0	0	0	115.7	V2	V2-G26 WeakPolarHBondContact CG2-O 3.42Å
27	F	94.1	Very high	97.3	Very high	29 Å²	29	36.6 Å²	36.6	13%	0.127	22%	0.221	C	C	.	.	S	Bend	trans	-151.2	164.5	170.9	68.8	-82.8	0	0	0	111.7	V2 L4 A24 S25 F29 Y32 M34 R98	V2-F27 HydrophobicContact CG1-CD1 3.6Å; V2-F27 HydrophobicContact CG1-CE1 4.15Å; V2-F27 HydrophobicContact CG1-CG 4.43Å; L4-F27 HydrophobicContact CD2-CE1 3.81Å; L4-F27 HydrophobicContact CD2-CZ 3.87Å; A24-F27 HydrophobicContact CB-CE1 3.68Å; A24-F27 HydrophobicContact CB-CZ 3.58Å; S25-F27 WeakPolarHBondContact O-CD1 3.33Å; S25-F27 PolarHBondContact O-N 2.81Å; F27-F29 HydrophobicContact CE2-CB 4.29Å; F27-F29 HydrophobicContact CE2-CD2 4.11Å; F27-F29 HydrophobicContact CZ-CD2 4.08Å; F27-F29 PolarHBondContact O-N 2.92Å; F27-Y32 AromaticContact CD2-CD2 3.58Å; F27-Y32 HydrophobicContact CD2-CD2 3.58Å; F27-Y32 AromaticContact CD2-CE2 3.89Å; F27-Y32 HydrophobicContact CD2-CE2 3.89Å; F27-Y32 HydrophobicContact CD2-CG 4.48Å; F27-Y32 AromaticContact CE2-CD2 3.96Å; F27-Y32 HydrophobicContact CE2-CD2 3.96Å; F27-M34 HydrophobicContact CZ-SD 4.42Å; F27-R98 HydrophobicContact CE2-CG 4.3Å
28	T	94.9	Very high	97.3	Very high	89 Å²	89	34.6 Å²	34.6	55%	0.546	21%	0.205	S	C	.	.			trans	-77.7	85.5	179.7	-51	0	0	0	0	111	I30 T31 Y32	T28-I30 HydrophobicContact CG2-CG2 3.84Å; T28-I30 PolarHBondContact O-N 3.34Å; T28-I30 VanDerWaalsContact O-N 3.08Å; T28-T31 HydrophobicContact CG2-CG2 3.88Å; T28-T31 PolarHBondContact O-N 3.32Å; T28-T31 VanDerWaalsContact O-N 3.08Å; T28-T31 PolarHBondContact O-OG1 2.82Å; T28-Y32 WeakPolarHBondContact O-CD2 3.31Å
29	F	95.6	Very high	97.3	Very high	1 Å²	1	36.3 Å²	36.3	0%	0.004	21%	0.212	C	C	.	.	G	3₁₀ helix	trans	-51.8	-35.5	-172.9	-178.6	-102.6	0	0	0	115.3	A24 F27 T31 Y32 M34 R72 N77 L79	A24-F29 HydrophobicContact CB-CB 4.46Å; A24-F29 HydrophobicContact CB-CD2 3.47Å; A24-F29 VanDerWaalsContact CB-CD2 3.47Å; A24-F29 HydrophobicContact CB-CE2 4.01Å; A24-F29 HydrophobicContact CB-CG 4.25Å; F27-F29 HydrophobicContact CE2-CB 4.29Å; F27-F29 HydrophobicContact CE2-CD2 4.11Å; F27-F29 HydrophobicContact CZ-CD2 4.08Å; F27-F29 PolarHBondContact O-N 2.92Å; F29-T31 PolarHBondContact O-N 3.28Å; F29-Y32 PolarHBondContact O-N 2.84Å; F29-M34 HydrophobicContact CD2-CG 4.38Å; F29-M34 HydrophobicContact CD2-SD 4.17Å; F29-M34 HydrophobicContact CE2-CE 4.06Å; F29-M34 HydrophobicContact CE2-CG 3.59Å; F29-M34 HydrophobicContact CE2-SD 3.8Å; F29-M34 HydrophobicContact CZ-CG 4Å; F29-R72 VanDerWaalsContact CD1-NH2 3.26Å; F29-R72 HydrophobicContact CE1-CB 4.31Å; F29-R72 HydrophobicContact CZ-CB 4.41Å; F29-R72 PolarHBondContact O-NH2 2.72Å; F29-N77 HydrophobicContact CB-CB 3.89Å; F29-N77 WeakPolarHBondContact CB-OD1 3.31Å; F29-N77 HydrophobicContact CD1-CB 4.36Å; F29-N77 HydrophobicContact CG-CB 4.11Å; F29-L79 HydrophobicContact CZ-CB 4.23Å
30	I	95.7	Very high	97.3	Very high	86 Å²	86	30.9 Å²	30.9	44%	0.441	19%	0.194	S	C	.	.	G	3₁₀ helix	trans	-66.1	-18.1	-178.4	-170.6	162.4	0	0	0	114.1	T28 Y53 N74	T28-I30 HydrophobicContact CG2-CG2 3.84Å; T28-I30 PolarHBondContact O-N 3.34Å; T28-I30 VanDerWaalsContact O-N 3.08Å; I30-Y53 WeakPolarHBondContact O-CB 3.47Å; I30-Y53 WeakPolarHBondContact O-CD2 3.19Å; I30-N74 HydrophobicContact CB-CB 4.44Å; I30-N74 HydrophobicContact CD1-CB 4.07Å; I30-N74 HydrophobicContact CG1-CB 4.34Å; I30-N74 WeakPolarHBondContact CG1-ND2 3.48Å
31	T	94.8	Very high	97.1	Very high	80 Å²	80	35.8 Å²	35.8	49%	0.491	23%	0.226	S	C	.	.	G	3₁₀ helix	trans	-91.7	-4.2	-179.1	59.9	0	0	0	0	113.5	T28 F29	T28-T31 HydrophobicContact CG2-CG2 3.88Å; T28-T31 PolarHBondContact O-N 3.32Å; T28-T31 VanDerWaalsContact O-N 3.08Å; T28-T31 PolarHBondContact O-OG1 2.82Å; F29-T31 PolarHBondContact O-N 3.28Å
32	Y	96.3	Very high	96.8	Very high	49 Å²	49	40.2 Å²	40.2	19%	0.192	26%	0.264	C	S	.	.	S	Bend	trans	-118.9	141	-173.5	-64.8	-78.3	0	0	0	113	F27 T28 F29 Y53 R72 R98 I99 D100	F27-Y32 AromaticContact CD2-CD2 3.58Å; F27-Y32 HydrophobicContact CD2-CD2 3.58Å; F27-Y32 AromaticContact CD2-CE2 3.89Å; F27-Y32 HydrophobicContact CD2-CE2 3.89Å; F27-Y32 HydrophobicContact CD2-CG 4.48Å; F27-Y32 AromaticContact CE2-CD2 3.96Å; F27-Y32 HydrophobicContact CE2-CD2 3.96Å; T28-Y32 WeakPolarHBondContact O-CD2 3.31Å; F29-Y32 PolarHBondContact O-N 2.84Å; Y32-Y53 WeakPolarHBondContact O-CA 3.41Å; Y32-R72 PolarHBondContact O-NH1 2.93Å; Y32-R98 HydrophobicContact CD1-CG 3.95Å; Y32-R98 HydrophobicContact CG-CG 3.85Å; Y32-I99 WeakPolarHBondContact CD1-O 3.32Å; Y32-D100 HydrophobicContact CD1-CB 4.36Å; Y32-D100 HydrophobicContact CE1-CB 3.93Å; Y32-D100 VanDerWaalsContact CE1-CG 3.5Å
33	G	96.9	Very high	96.6	Very high	12 Å²	12	45.6 Å²	45.6	12%	0.124	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.6	155.4	161.9	0	0	0	0	0	110.2	I51 I99	G33-I51 CarbonylContact C-O 3.6Å; G33-I51 VanDerWaalsContact CA-O 3.27Å; G33-I51 WeakPolarHBondContact CA-O 3.33Å; G33-I99 WeakPolarHBondContact O-CG2 3.39Å; G33-I99 PolarHBondContact O-N 2.78Å
34	M	98.1	Very high	96.5	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	144.2	-177.3	-62	-62.5	-60.4	0	0	111.1	L4 F27 F29 L50 I51 L79 A97 R98	L4-M34 HydrophobicContact CD1-CE 4.07Å; L4-M34 HydrophobicContact CD2-CE 3.83Å; F27-M34 HydrophobicContact CZ-SD 4.42Å; F29-M34 HydrophobicContact CD2-CG 4.38Å; F29-M34 HydrophobicContact CD2-SD 4.17Å; F29-M34 HydrophobicContact CE2-CE 4.06Å; F29-M34 HydrophobicContact CE2-CG 3.59Å; F29-M34 HydrophobicContact CE2-SD 3.8Å; F29-M34 HydrophobicContact CZ-CG 4Å; M34-L50 WeakPolarHBondContact O-CA 3.27Å; M34-I51 HydrophobicContact CB-CG2 4.1Å; M34-I51 PolarHBondContact N-O 3.17Å; M34-I51 PolarHBondContact O-N 3.05Å; M34-L79 HydrophobicContact CB-CD1 3.85Å; M34-L79 HydrophobicContact CB-CD2 3.8Å; M34-L79 HydrophobicContact CB-CG 4.35Å; M34-A97 WeakPolarHBondContact CA-O 3.34Å; M34-R98 HydrophobicContact SD-CB 4.18Å; M34-R98 HydrophobicContact SD-CG 4.34Å
35	H	98.4	Very high	96.5	Very high	7 Å²	7	50.3 Å²	50.3	3%	0.032	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	151.6	-179.3	-69.6	-86	0	0	0	111.7	V37 W47 T49 L50 C96 A97 M104	H35-V37 HydrophobicContact CB-CG2 4.42Å; H35-W47 AromaticContact CE1-NE1 3.57Å; H35-W47 AromaticContact ND1-CD1 3.62Å; H35-W47 AromaticContact ND1-NE1 3.06Å; H35-W47 PolarHBondContact ND1-NE1 2.86Å; H35-T49 VanDerWaalsContact CA-O 3.31Å; H35-T49 WeakPolarHBondContact CA-O 3.19Å; H35-T49 PolarHBondContact ND1-O 2.96Å; H35-L50 WeakPolarHBondContact CE1-CD1 3.39Å; H35-L50 WeakPolarHBondContact NE2-CD1 3.47Å; H35-C96 VanDerWaalsContact O-CA 3.27Å; H35-C96 WeakPolarHBondContact O-CA 3.39Å; H35-A97 HydrophobicContact CB-CB 4.37Å; H35-A97 PolarHBondContact N-O 3.47Å; H35-A97 PolarHBondContact O-N 3.35Å; H35-M104 HydrophobicContact CB-CE 3.9Å; H35-M104 HydrophobicContact CB-SD 4.37Å; H35-M104 VanDerWaalsContact CG-CE 3.42Å; H35-M104 WeakPolarHBondContact ND1-CE 3.33Å
36	W	98.7	Very high	96.5	Very high	0 Å²	0	50.3 Å²	50.3	0%	0	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	135.9	152.5	-75.8	97.2	0	0	0	109.1	E6 L20 C22 V48 T49 L79 L81 Y95 C96	E6-W36 HydrophobicContact CG-CH2 3.94Å; E6-W36 HydrophobicContact CG-CZ3 3.91Å; L20-W36 HydrophobicContact CB-CH2 3.73Å; L20-W36 HydrophobicContact CB-CZ2 3.99Å; L20-W36 HydrophobicContact CB-CZ3 4.33Å; L20-W36 HydrophobicContact CD1-CE3 4.44Å; L20-W36 HydrophobicContact CD1-CH2 4.28Å; L20-W36 HydrophobicContact CD1-CZ3 4.02Å; C22-W36 HydrophobicContact CB-CH2 3.88Å; C22-W36 HydrophobicContact CB-CZ2 3.83Å; W36-V48 HydrophobicContact CB-CB 4.2Å; W36-V48 WeakPolarHBondContact O-CA 3.42Å; W36-V48 VanDerWaalsContact O-CB 3.32Å; W36-V48 WeakPolarHBondContact O-CB 3.38Å; W36-V48 PolarHBondContact O-N 3.11Å; W36-T49 PolarHBondContact N-O 2.69Å; W36-T49 VanDerWaalsContact N-O 3.07Å; W36-T49 PolarHBondContact O-N 3.19Å; W36-T49 VanDerWaalsContact O-N 3.15Å; W36-L79 HydrophobicContact CD2-CD2 4.43Å; W36-L79 HydrophobicContact CG-CD2 4.39Å; W36-L79 HydrophobicContact CZ2-CD2 4.3Å; W36-L81 HydrophobicContact CB-CD2 4.24Å; W36-L81 HydrophobicContact CD2-CB 4.19Å; W36-L81 HydrophobicContact CD2-CD2 4.17Å; W36-L81 HydrophobicContact CG-CB 4.25Å; W36-L81 HydrophobicContact CG-CD2 3.97Å; W36-L81 HydrophobicContact CG-CG 4.48Å; W36-L81 HydrophobicContact CZ2-CB 4.29Å; W36-Y95 WeakPolarHBondContact CA-O 3.48Å; W36-C96 HydrophobicContact CD2-CB 4.4Å; W36-C96 HydrophobicContact CE3-CB 4.26Å; W36-C96 HydrophobicContact CH2-CB 4.23Å; W36-C96 HydrophobicContact CZ2-CB 4.36Å; W36-C96 HydrophobicContact CZ3-CB 4.18Å
37	V	98.7	Very high	96.6	Very high	4 Å²	4	52.3 Å²	52.3	2%	0.024	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	149.4	177.6	177.1	0	0	0	0	106.9	H35 L45 E46 Y94 Y95 M104 W107	H35-V37 HydrophobicContact CB-CG2 4.42Å; V37-L45 HydrophobicContact CG1-CB 3.94Å; V37-L45 HydrophobicContact CG1-CD2 3.92Å; V37-L45 HydrophobicContact CG1-CG 4.43Å; V37-E46 CarbonylContact C-O 3.6Å; V37-E46 WeakPolarHBondContact CA-O 3.34Å; V37-E46 WeakPolarHBondContact CG1-O 3.44Å; V37-Y94 CarbonylContact O-C 3.52Å; V37-Y94 WeakPolarHBondContact O-CA 3.31Å; V37-Y95 PolarHBondContact N-O 3.42Å; V37-Y95 PolarHBondContact O-N 2.78Å; V37-M104 HydrophobicContact CG2-CE 4.17Å; V37-M104 HydrophobicContact CG2-SD 3.99Å; V37-W107 HydrophobicContact CB-CH2 4.03Å; V37-W107 HydrophobicContact CB-CZ3 3.7Å; V37-W107 HydrophobicContact CG1-CH2 3.92Å; V37-W107 HydrophobicContact CG1-CZ3 3.79Å; V37-W107 HydrophobicContact CG2-CH2 3.76Å; V37-W107 HydrophobicContact CG2-CZ3 3.86Å
38	R	98.5	Very high	96.8	Very high	15 Å²	15	51 Å²	51	6%	0.057	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	158.1	176.4	74.7	-179.5	-176.4	-177	1.5	112.1	E46 V48 D90 A92 V93 Y94	R38-E46 HydrophobicContact CG-CB 4.05Å; R38-E46 IonicContact CZ-OE2 3.95Å; R38-E46 PolarHBondContact N-O 2.79Å; R38-E46 IonicContact NE-OE2 3.19Å; R38-E46 PolarHBondContact NE-OE2 2.92Å; R38-E46 IonicContact NH2-OE2 3.93Å; R38-E46 PolarHBondContact NH2-OE2 3.19Å; R38-E46 PolarHBondContact O-N 2.88Å; R38-V48 HydrophobicContact CB-CG2 3.83Å; R38-V48 HydrophobicContact CG-CG2 3.63Å; R38-D90 IonicContact NH1-OD1 2.62Å; R38-D90 PolarHBondContact NH1-OD1 3.04Å; R38-A92 HydrophobicContact CB-CB 3.86Å; R38-A92 HydrophobicContact CG-CB 4.17Å; R38-V93 CarbonylContact C-O 3.55Å; R38-V93 WeakPolarHBondContact CA-O 3.46Å; R38-Y94 HydrophobicContact CB-CD1 3.81Å; R38-Y94 HydrophobicContact CB-CD2 4.35Å; R38-Y94 HydrophobicContact CB-CE1 3.75Å; R38-Y94 HydrophobicContact CB-CE2 4.28Å; R38-Y94 HydrophobicContact CB-CG 4.11Å; R38-Y94 WeakPolarHBondContact CD-OH 3.38Å; R38-Y94 HydrophobicContact CG-CE1 4.39Å; R38-Y94 PolarHBondContact NH1-OH 2.94Å
39	Q	98.5	Very high	96.9	Very high	73 Å²	73	46.7 Å²	46.7	34%	0.341	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	108.1	173	-167.7	177.5	21	0	0	109.6	K43 L45 A92 V93 Y95	Q39-K43 WeakPolarHBondContact CG-O 3.37Å; Q39-K43 PolarHBondContact NE2-O 3.3Å; Q39-L45 HydrophobicContact CB-CD2 4.14Å; Q39-A92 WeakPolarHBondContact O-CA 3.34Å; Q39-A92 WeakPolarHBondContact O-CB 3.25Å; Q39-V93 PolarHBondContact N-O 3.15Å; Q39-V93 PolarHBondContact O-N 3.23Å; Q39-Y95 HydrophobicContact CB-CE2 3.91Å; Q39-Y95 PolarHBondContact OE1-OH 2.9Å
40	A	97.2	Very high	97	Very high	11 Å²	11	48.5 Å²	48.5	9%	0.091	28%	0.278	C	S	.	.			trans	-76.5	158.3	172.4	0	0	0	0	0	110.5	A42 K43 A92	A40-A42 PolarHBondContact O-N 2.91Å; A40-K43 HydrophobicContact CB-CB 4.2Å; A40-K43 HydrophobicContact CB-CD 3.98Å; A40-K43 HydrophobicContact CB-CG 4.15Å; A40-K43 PolarHBondContact O-N 2.98Å; A40-A92 HydrophobicContact CB-CB 4.37Å
41	P	94.3	Very high	97.2	Very high	104 Å²	104	44.4 Å²	44.4	68%	0.675	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.1	133.1	174.5	-25.7	34.6	0	0	0	111.7	K43	P41-K43 PolarHBondContact O-N 3.02Å; P41-K43 VanDerWaalsContact O-N 3.15Å
42	A	93.6	Very high	97.3	Very high	120 Å²	120	41.6 Å²	41.6	99%	0.992	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	59.3	16.3	-177.8	0	0	0	0	0	115.9	A40	A40-A42 PolarHBondContact O-N 2.91Å
43	K	94.4	Very high	97.2	Very high	113 Å²	113	45.6 Å²	45.6	49%	0.491	26%	0.257	S	S	.	.			trans	-113.5	160.3	173.6	-63.4	-162.6	-177	175.7	0	112.5	Q39 A40 P41 E46	Q39-K43 WeakPolarHBondContact CG-O 3.37Å; Q39-K43 PolarHBondContact NE2-O 3.3Å; A40-K43 HydrophobicContact CB-CB 4.2Å; A40-K43 HydrophobicContact CB-CD 3.98Å; A40-K43 HydrophobicContact CB-CG 4.15Å; A40-K43 PolarHBondContact O-N 2.98Å; P41-K43 PolarHBondContact O-N 3.02Å; P41-K43 VanDerWaalsContact O-N 3.15Å; K43-E46 VanDerWaalsContact CD-OE1 3.29Å; K43-E46 WeakPolarHBondContact CD-OE1 3.38Å; K43-E46 IonicContact NZ-OE1 3.19Å
44	G	95.9	Very high	97	Very high	52 Å²	52	48.7 Å²	48.7	54%	0.536	27%	0.271	S	S	.	.			trans	-72.4	-179.1	167.2	0	0	0	0	0	112.4	E46	G44-E46 PolarHBondContact O-N 2.93Å
45	L	97.2	Very high	96.9	Very high	104 Å²	104	49.6 Å²	49.6	55%	0.545	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.7	128.3	173.2	-67.4	170.9	0	0	0	110.4	V37 Q39 Y95 W107	V37-L45 HydrophobicContact CG1-CB 3.94Å; V37-L45 HydrophobicContact CG1-CD2 3.92Å; V37-L45 HydrophobicContact CG1-CG 4.43Å; Q39-L45 HydrophobicContact CB-CD2 4.14Å; L45-Y95 HydrophobicContact CD2-CD2 4.27Å; L45-Y95 HydrophobicContact CD2-CE2 4.17Å; L45-W107 HydrophobicContact CD1-CH2 4.18Å; L45-W107 HydrophobicContact CD1-CZ3 4.47Å
46	E	97.9	Very high	96.7	Very high	53 Å²	53	52.8 Å²	52.8	25%	0.248	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	123.4	176.7	-64.4	179.8	167.5	0	0	109.2	V37 R38 K43 G44	V37-E46 CarbonylContact C-O 3.6Å; V37-E46 WeakPolarHBondContact CA-O 3.34Å; V37-E46 WeakPolarHBondContact CG1-O 3.44Å; R38-E46 HydrophobicContact CG-CB 4.05Å; R38-E46 IonicContact CZ-OE2 3.95Å; R38-E46 PolarHBondContact N-O 2.79Å; R38-E46 IonicContact NE-OE2 3.19Å; R38-E46 PolarHBondContact NE-OE2 2.92Å; R38-E46 IonicContact NH2-OE2 3.93Å; R38-E46 PolarHBondContact NH2-OE2 3.19Å; R38-E46 PolarHBondContact O-N 2.88Å; K43-E46 VanDerWaalsContact CD-OE1 3.29Å; K43-E46 WeakPolarHBondContact CD-OE1 3.38Å; K43-E46 IonicContact NZ-OE1 3.19Å; G44-E46 PolarHBondContact O-N 2.93Å
47	W	97.9	Very high	96.7	Very high	96 Å²	96	56.7 Å²	56.7	36%	0.364	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.6	137	172.6	177.4	91	0	0	0	110.9	H35 T49 L50 Y60 A61	H35-W47 AromaticContact CE1-NE1 3.57Å; H35-W47 AromaticContact ND1-CD1 3.62Å; H35-W47 AromaticContact ND1-NE1 3.06Å; H35-W47 PolarHBondContact ND1-NE1 2.86Å; W47-T49 PolarHBondContact NE1-O 2.8Å; W47-L50 HydrophobicContact CZ2-CB 3.79Å; W47-Y60 VanDerWaalsContact CZ3-C 3.44Å; W47-A61 HydrophobicContact CE3-CB 3.82Å; W47-A61 HydrophobicContact CZ3-CB 3.87Å; W47-A61 WeakPolarHBondContact O-CB 3.21Å
48	V	98.5	Very high	96.7	Very high	1 Å²	1	60.6 Å²	60.6	1%	0.006	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	-55.7	-175.6	-173.5	0	0	0	0	111.7	W36 R38 A61 V64 F68 Y94	W36-V48 HydrophobicContact CB-CB 4.2Å; W36-V48 WeakPolarHBondContact O-CA 3.42Å; W36-V48 VanDerWaalsContact O-CB 3.32Å; W36-V48 WeakPolarHBondContact O-CB 3.38Å; W36-V48 PolarHBondContact O-N 3.11Å; R38-V48 HydrophobicContact CB-CG2 3.83Å; R38-V48 HydrophobicContact CG-CG2 3.63Å; V48-A61 PolarHBondContact O-N 2.96Å; V48-V64 HydrophobicContact CG1-CG1 4.14Å; V48-V64 HydrophobicContact CG1-CG2 3.91Å; V48-F68 HydrophobicContact CG1-CD2 4.03Å; V48-F68 HydrophobicContact CG1-CE2 4.32Å; V48-Y94 HydrophobicContact CG2-CE1 4.3Å
49	T	98.6	Very high	96.7	Very high	0 Å²	0	66 Å²	66	0%	0	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.2	161.5	178.5	66.4	0	0	0	0	112.5	H35 W36 W47 Y59 Y60 V70 L81	H35-T49 VanDerWaalsContact CA-O 3.31Å; H35-T49 WeakPolarHBondContact CA-O 3.19Å; H35-T49 PolarHBondContact ND1-O 2.96Å; W36-T49 PolarHBondContact N-O 2.69Å; W36-T49 VanDerWaalsContact N-O 3.07Å; W36-T49 PolarHBondContact O-N 3.19Å; W36-T49 VanDerWaalsContact O-N 3.15Å; W47-T49 PolarHBondContact NE1-O 2.8Å; T49-Y59 CarbonylContact C-O 3.6Å; T49-Y59 WeakPolarHBondContact CA-O 3.28Å; T49-Y59 WeakPolarHBondContact CB-O 3.1Å; T49-Y60 HydrophobicContact CG2-CD1 3.42Å; T49-Y60 VanDerWaalsContact CG2-CD1 3.42Å; T49-Y60 HydrophobicContact CG2-CE1 3.79Å; T49-Y60 HydrophobicContact CG2-CG 4.29Å; T49-V70 HydrophobicContact CG2-CB 4.34Å; T49-L81 HydrophobicContact CG2-CD1 3.93Å
50	L	97.8	Very high	96.7	Very high	38 Å²	38	65.1 Å²	65.1	20%	0.199	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	140.3	165.4	167.7	62.4	0	0	0	109.1	M34 H35 W47 K58 Y59 I99	M34-L50 WeakPolarHBondContact O-CA 3.27Å; H35-L50 WeakPolarHBondContact CE1-CD1 3.39Å; H35-L50 WeakPolarHBondContact NE2-CD1 3.47Å; W47-L50 HydrophobicContact CZ2-CB 3.79Å; L50-K58 CarbonylContact O-C 3.54Å; L50-K58 WeakPolarHBondContact O-CA 3.43Å; L50-Y59 HydrophobicContact CB-CD2 4.29Å; L50-Y59 HydrophobicContact CD2-CD2 3.84Å; L50-Y59 HydrophobicContact CD2-CE2 4.29Å; L50-Y59 HydrophobicContact CG-CD2 4.17Å; L50-Y59 PolarHBondContact N-O 3.33Å; L50-Y59 PolarHBondContact O-N 2.98Å; L50-I99 HydrophobicContact CD1-CG2 4.45Å
51	I	98.3	Very high	96.7	Very high	1 Å²	1	65.3 Å²	65.3	1%	0.005	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	132.8	166.4	-173.8	163.3	0	0	0	110.2	G33 M34 N57 K58 V70 R72 L79	G33-I51 CarbonylContact C-O 3.6Å; G33-I51 VanDerWaalsContact CA-O 3.27Å; G33-I51 WeakPolarHBondContact CA-O 3.33Å; M34-I51 HydrophobicContact CB-CG2 4.1Å; M34-I51 PolarHBondContact N-O 3.17Å; M34-I51 PolarHBondContact O-N 3.05Å; I51-N57 WeakPolarHBondContact CA-O 3.32Å; I51-K58 HydrophobicContact CD1-CD 4.32Å; I51-K58 HydrophobicContact CD1-CG 4.15Å; I51-K58 HydrophobicContact CG1-CG 4.07Å; I51-V70 HydrophobicContact CB-CG1 4.02Å; I51-V70 HydrophobicContact CB-CG2 4.04Å; I51-V70 HydrophobicContact CD1-CG1 4.44Å; I51-V70 HydrophobicContact CG2-CG2 3.86Å; I51-R72 HydrophobicContact CD1-CB 4.26Å; I51-R72 HydrophobicContact CD1-CG 3.8Å; I51-R72 HydrophobicContact CG1-CG 4.5Å; I51-L79 HydrophobicContact CG2-CD1 3.44Å; I51-L79 VanDerWaalsContact CG2-CD1 3.44Å
52	S	96.5	Very high	96.9	Very high	20 Å²	20	67.1 Å²	67.1	14%	0.14	36%	0.361	C	S	.	.			trans	-66.5	165.9	177.1	57.5	0	0	0	0	112.5	D54 G55 S56 N57 R72	S52-D54 WeakPolarHBondContact CB-OD1 3.44Å; S52-D54 PolarHBondContact O-N 3.47Å; S52-D54 PolarHBondContact OG-OD1 3.43Å; S52-G55 PolarHBondContact O-N 3.33Å; S52-S56 PolarHBondContact OG-N 2.99Å; S52-N57 PolarHBondContact N-O 3.02Å; S52-N57 PolarHBondContact OG-N 3.13Å; S52-N57 PolarHBondContact OG-O 2.91Å; S52-R72 PolarHBondContact O-NH1 2.92Å
53	Y	95.3	Very high	97	Very high	133 Å²	133	64.2 Å²	64.2	52%	0.522	33%	0.334	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.9	-33.2	-175.7	74.5	-96.5	0	0	0	113.6	I30 Y32 R72	I30-Y53 WeakPolarHBondContact O-CB 3.47Å; I30-Y53 WeakPolarHBondContact O-CD2 3.19Å; Y32-Y53 WeakPolarHBondContact O-CA 3.41Å; Y53-R72 VanDerWaalsContact C-NH1 3.31Å; Y53-R72 PolarHBondContact O-NE 2.91Å; Y53-R72 PolarHBondContact O-NH1 2.92Å; Y53-R72 PolarHBondContact O-NH2 2.02Å
54	D	92.8	Very high	97.2	Very high	78 Å²	78	58.9 Å²	58.9	42%	0.417	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.6	-7.7	177.1	63.6	-11.8	0	0	0	113.2	S52 S56	S52-D54 WeakPolarHBondContact CB-OD1 3.44Å; S52-D54 PolarHBondContact O-N 3.47Å; S52-D54 PolarHBondContact OG-OD1 3.43Å; D54-S56 VanDerWaalsContact C-N 3.27Å; D54-S56 PolarHBondContact O-N 2.98Å; D54-S56 PolarHBondContact OD1-N 3.36Å; D54-S56 VanDerWaalsContact OD1-N 3.12Å; D54-S56 PolarHBondContact OD1-OG 3.02Å; D54-S56 VanDerWaalsContact OD2-CB 3.31Å; D54-S56 WeakPolarHBondContact OD2-CB 3.5Å; D54-S56 PolarHBondContact OD2-OG 2.87Å
55	G	95.4	Very high	97.3	Very high	19 Å²	19	63.1 Å²	63.1	20%	0.196	31%	0.314	C	S	.	.	S	Bend	trans	76.7	4	-177.9	0	0	0	0	0	115.7	S52 K58	S52-G55 PolarHBondContact O-N 3.33Å; G55-K58 WeakPolarHBondContact O-CE 3.45Å
56	S	95.8	Very high	97.3	Very high	74 Å²	74	62.1 Å²	62.1	52%	0.517	33%	0.329	S	S	.	.			trans	-71.5	-39.5	-177.4	63.6	0	0	0	0	112.7	S52 D54	S52-S56 PolarHBondContact OG-N 2.99Å; D54-S56 VanDerWaalsContact C-N 3.27Å; D54-S56 PolarHBondContact O-N 2.98Å; D54-S56 PolarHBondContact OD1-N 3.36Å; D54-S56 VanDerWaalsContact OD1-N 3.12Å; D54-S56 PolarHBondContact OD1-OG 3.02Å; D54-S56 VanDerWaalsContact OD2-CB 3.31Å; D54-S56 WeakPolarHBondContact OD2-CB 3.5Å; D54-S56 PolarHBondContact OD2-OG 2.87Å
57	N	97.4	Very high	97.3	Very high	82 Å²	82	60.7 Å²	60.7	44%	0.439	32%	0.322	S	S	.	.			trans	-103.9	131.7	-179.9	-66	-55.3	0	0	0	110.8	I51 S52 Y59	I51-N57 WeakPolarHBondContact CA-O 3.32Å; S52-N57 PolarHBondContact N-O 3.02Å; S52-N57 PolarHBondContact OG-N 3.13Å; S52-N57 PolarHBondContact OG-O 2.91Å; N57-Y59 HydrophobicContact CB-CE2 3.89Å
58	K	98.3	Very high	97.3	Very high	86 Å²	86	56.3 Å²	56.3	37%	0.374	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	128.8	179.2	-58.9	178.4	-172	-174	0	109.7	L50 I51 G55 Y60 V70	L50-K58 CarbonylContact O-C 3.54Å; L50-K58 WeakPolarHBondContact O-CA 3.43Å; I51-K58 HydrophobicContact CD1-CD 4.32Å; I51-K58 HydrophobicContact CD1-CG 4.15Å; I51-K58 HydrophobicContact CG1-CG 4.07Å; G55-K58 WeakPolarHBondContact O-CE 3.45Å; K58-Y60 HydrophobicContact CB-CE2 3.78Å; K58-V70 HydrophobicContact CB-CG1 4.16Å; K58-V70 HydrophobicContact CD-CG1 4.16Å; K58-V70 HydrophobicContact CG-CG1 4.12Å; K58-V70 PolarHBondContact NZ-O 3.49Å; K58-V70 VanDerWaalsContact NZ-O 3.15Å
59	Y	98.3	Very high	97.3	Very high	128 Å²	128	59.4 Å²	59.4	50%	0.502	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	146.5	178.3	-54.9	-90.1	0	0	0	109.5	T49 L50 N57	T49-Y59 CarbonylContact C-O 3.6Å; T49-Y59 WeakPolarHBondContact CA-O 3.28Å; T49-Y59 WeakPolarHBondContact CB-O 3.1Å; L50-Y59 HydrophobicContact CB-CD2 4.29Å; L50-Y59 HydrophobicContact CD2-CD2 3.84Å; L50-Y59 HydrophobicContact CD2-CE2 4.29Å; L50-Y59 HydrophobicContact CG-CD2 4.17Å; L50-Y59 PolarHBondContact N-O 3.33Å; L50-Y59 PolarHBondContact O-N 2.98Å; N57-Y59 HydrophobicContact CB-CE2 3.89Å
60	Y	98.7	Very high	97.4	Very high	55 Å²	55	59.4 Å²	59.4	22%	0.216	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	140.3	-174.2	-60.3	-93.5	0	0	0	109.4	W47 T49 K58 F68 V70	W47-Y60 VanDerWaalsContact CZ3-C 3.44Å; T49-Y60 HydrophobicContact CG2-CD1 3.42Å; T49-Y60 VanDerWaalsContact CG2-CD1 3.42Å; T49-Y60 HydrophobicContact CG2-CE1 3.79Å; T49-Y60 HydrophobicContact CG2-CG 4.29Å; K58-Y60 HydrophobicContact CB-CE2 3.78Å; Y60-F68 WeakPolarHBondContact CE1-O 3.4Å; Y60-V70 HydrophobicContact CE1-CB 4.43Å; Y60-V70 HydrophobicContact CE1-CG1 4.03Å; Y60-V70 PolarHBondContact OH-N 2.92Å
61	A	98.4	Very high	97.4	Very high	14 Å²	14	59.5 Å²	59.5	12%	0.116	33%	0.328	C	S	.	.			trans	-65.3	146.4	169	0	0	0	0	0	110.2	W47 V48 S63 V64 K65	W47-A61 HydrophobicContact CE3-CB 3.82Å; W47-A61 HydrophobicContact CZ3-CB 3.87Å; W47-A61 WeakPolarHBondContact O-CB 3.21Å; V48-A61 PolarHBondContact O-N 2.96Å; A61-S63 PolarHBondContact O-N 3.15Å; A61-S63 VanDerWaalsContact O-N 3.14Å; A61-V64 HydrophobicContact CB-CG2 4.2Å; A61-V64 WeakPolarHBondContact O-CG2 3.33Å; A61-V64 PolarHBondContact O-N 2.88Å; A61-K65 PolarHBondContact O-N 3.22Å
62	D	98.1	Very high	97.4	Very high	142 Å²	142	61 Å²	61	76%	0.759	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.9	-30.9	-177.8	-69.3	-32.4	0	0	0	112.5	V64	D62-V64 PolarHBondContact O-N 3.02Å
63	S	96.5	Very high	97.5	Very high	60 Å²	60	62 Å²	62	42%	0.42	34%	0.338	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-24.9	177.2	59.6	0	0	0	0	114.3	A61 R67	A61-S63 PolarHBondContact O-N 3.15Å; A61-S63 VanDerWaalsContact O-N 3.14Å; S63-R67 PolarHBondContact O-NH2 3.14Å
64	V	98.1	Very high	97.5	Very high	0 Å²	0	58 Å²	58	0%	0	33%	0.325	C	S	.	.	T	Hydrogen-bonded Turn	trans	-121.7	-7.6	-172.9	-58.9	0	0	0	0	113.1	V48 A61 D62 G66 R67 F68	V48-V64 HydrophobicContact CG1-CG1 4.14Å; V48-V64 HydrophobicContact CG1-CG2 3.91Å; A61-V64 HydrophobicContact CB-CG2 4.2Å; A61-V64 WeakPolarHBondContact O-CG2 3.33Å; A61-V64 PolarHBondContact O-N 2.88Å; D62-V64 PolarHBondContact O-N 3.02Å; V64-G66 PolarHBondContact O-N 3.42Å; V64-R67 PolarHBondContact O-N 3.01Å; V64-F68 HydrophobicContact CB-CB 4.1Å; V64-F68 HydrophobicContact CB-CD1 4.29Å; V64-F68 HydrophobicContact CB-CD2 3.66Å; V64-F68 HydrophobicContact CB-CE2 4.07Å; V64-F68 HydrophobicContact CB-CG 3.77Å; V64-F68 HydrophobicContact CG1-CD2 3.7Å; V64-F68 HydrophobicContact CG1-CE2 3.59Å; V64-F68 HydrophobicContact CG1-CG 4.24Å; V64-F68 HydrophobicContact CG1-CZ 4.02Å; V64-F68 HydrophobicContact CG2-CB 4.36Å; V64-F68 HydrophobicContact CG2-CD2 4.2Å; V64-F68 HydrophobicContact CG2-CG 4.44Å; V64-F68 PolarHBondContact O-N 3.01Å
65	K	97.1	Very high	97.7	Very high	141 Å²	141	59.1 Å²	59.1	61%	0.613	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.8	133.2	-179	-166.7	173	-175.8	176.8	0	110.9	A61 R67	A61-K65 PolarHBondContact O-N 3.22Å; K65-R67 PolarHBondContact O-N 3.02Å
66	G	97.4	Very high	97.8	Very high	84 Å²	84	64.4 Å²	64.4	87%	0.866	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.9	-6.5	-176.7	0	0	0	0	0	115.2	V64	V64-G66 PolarHBondContact O-N 3.42Å
67	R	98.3	Very high	97.9	Very high	22 Å²	22	64 Å²	64	8%	0.083	35%	0.348	C	S	.	.	T	Hydrogen-bonded Turn	trans	-112.9	-39.8	177.2	-62.1	-169.1	-58.3	115.3	-0.1	112.4	S63 V64 K65 N84 S85 D90	S63-R67 PolarHBondContact O-NH2 3.14Å; V64-R67 PolarHBondContact O-N 3.01Å; K65-R67 PolarHBondContact O-N 3.02Å; R67-N84 WeakPolarHBondContact CB-O 3.3Å; R67-N84 WeakPolarHBondContact O-CB 3.27Å; R67-N84 PolarHBondContact O-N 3.39Å; R67-S85 PolarHBondContact NH1-O 3.48Å; R67-D90 IonicContact CZ-OD1 3.7Å; R67-D90 IonicContact CZ-OD2 2.98Å; R67-D90 IonicContact NH1-OD1 3.6Å; R67-D90 IonicContact NH1-OD2 3.02Å; R67-D90 PolarHBondContact NH1-OD2 3.03Å; R67-D90 IonicContact NH2-OD1 3.53Å; R67-D90 PolarHBondContact NH2-OD1 2.83Å; R67-D90 IonicContact NH2-OD2 2.91Å; R67-D90 PolarHBondContact NH2-OD2 2.78Å
68	F	98.6	Very high	97.9	Very high	4 Å²	4	60.8 Å²	60.8	2%	0.018	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	146.2	-177.6	-68.4	14.8	0	0	0	110.5	V48 Y60 V64 L81 Q82 M83 L86 D90 Y94	V48-F68 HydrophobicContact CG1-CD2 4.03Å; V48-F68 HydrophobicContact CG1-CE2 4.32Å; Y60-F68 WeakPolarHBondContact CE1-O 3.4Å; V64-F68 HydrophobicContact CB-CB 4.1Å; V64-F68 HydrophobicContact CB-CD1 4.29Å; V64-F68 HydrophobicContact CB-CD2 3.66Å; V64-F68 HydrophobicContact CB-CE2 4.07Å; V64-F68 HydrophobicContact CB-CG 3.77Å; V64-F68 HydrophobicContact CG1-CD2 3.7Å; V64-F68 HydrophobicContact CG1-CE2 3.59Å; V64-F68 HydrophobicContact CG1-CG 4.24Å; V64-F68 HydrophobicContact CG1-CZ 4.02Å; V64-F68 HydrophobicContact CG2-CB 4.36Å; V64-F68 HydrophobicContact CG2-CD2 4.2Å; V64-F68 HydrophobicContact CG2-CG 4.44Å; V64-F68 PolarHBondContact O-N 3.01Å; F68-L81 HydrophobicContact CB-CD1 4.18Å; F68-L81 HydrophobicContact CD2-CD1 4.36Å; F68-L81 HydrophobicContact CD2-CD2 4.04Å; F68-L81 HydrophobicContact CD2-CG 4.35Å; F68-L81 HydrophobicContact CE2-CD2 4.45Å; F68-Q82 CarbonylContact C-O 3.45Å; F68-Q82 VanDerWaalsContact CA-O 3.25Å; F68-Q82 WeakPolarHBondContact CA-O 3.41Å; F68-M83 HydrophobicContact CD1-CB 3.94Å; F68-M83 HydrophobicContact CD1-CG 4.29Å; F68-M83 HydrophobicContact CD2-CE 4.4Å; F68-M83 HydrophobicContact CD2-CG 4.07Å; F68-M83 HydrophobicContact CE1-CB 3.77Å; F68-M83 HydrophobicContact CE1-CE 4.34Å; F68-M83 HydrophobicContact CE1-CG 4.21Å; F68-M83 HydrophobicContact CE2-CB 4.41Å; F68-M83 HydrophobicContact CE2-CE 3.44Å; F68-M83 VanDerWaalsContact CE2-CE 3.44Å; F68-M83 HydrophobicContact CE2-CG 3.95Å; F68-M83 HydrophobicContact CG-CB 4.38Å; F68-M83 HydrophobicContact CG-CG 4.25Å; F68-M83 HydrophobicContact CZ-CB 4.03Å; F68-M83 HydrophobicContact CZ-CE 3.42Å; F68-M83 VanDerWaalsContact CZ-CE 3.42Å; F68-M83 HydrophobicContact CZ-CG 4.05Å; F68-L86 HydrophobicContact CE1-CD2 4.03Å; F68-L86 HydrophobicContact CZ-CD2 3.93Å; F68-D90 HydrophobicContact CZ-CB 4.3Å; F68-Y94 HydrophobicContact CE2-CE1 4.24Å
69	T	98.7	Very high	97.9	Very high	66 Å²	66	56.7 Å²	56.7	41%	0.405	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	117.8	178.2	-57.1	0	0	0	0	109.6	Q82	T69-Q82 PolarHBondContact N-O 2.9Å; T69-Q82 PolarHBondContact O-N 3.03Å
70	V	98.8	Very high	98	Very high	0 Å²	0	52.3 Å²	52.3	0%	0	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	138.1	174	66.9	0	0	0	0	110.4	T49 I51 K58 Y60 L79 Y80 L81	T49-V70 HydrophobicContact CG2-CB 4.34Å; I51-V70 HydrophobicContact CB-CG1 4.02Å; I51-V70 HydrophobicContact CB-CG2 4.04Å; I51-V70 HydrophobicContact CD1-CG1 4.44Å; I51-V70 HydrophobicContact CG2-CG2 3.86Å; K58-V70 HydrophobicContact CB-CG1 4.16Å; K58-V70 HydrophobicContact CD-CG1 4.16Å; K58-V70 HydrophobicContact CG-CG1 4.12Å; K58-V70 PolarHBondContact NZ-O 3.49Å; K58-V70 VanDerWaalsContact NZ-O 3.15Å; Y60-V70 HydrophobicContact CE1-CB 4.43Å; Y60-V70 HydrophobicContact CE1-CG1 4.03Å; Y60-V70 PolarHBondContact OH-N 2.92Å; V70-L79 HydrophobicContact CG2-CD1 3.85Å; V70-Y80 WeakPolarHBondContact CA-O 3.28Å; V70-L81 HydrophobicContact CB-CD1 4.3Å
71	S	98.6	Very high	98	Very high	40 Å²	40	49.7 Å²	49.7	28%	0.28	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146	164.4	174.2	63.9	0	0	0	0	110.7	Y80	S71-Y80 PolarHBondContact N-O 2.88Å; S71-Y80 PolarHBondContact O-N 2.83Å
72	R	98.3	Very high	98	Very high	34 Å²	34	51.7 Å²	51.7	13%	0.128	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	151.1	-178.5	63.4	-178.8	-68.3	153.1	1.8	110.3	F29 Y32 I51 S52 Y53 N74 T78 L79	F29-R72 VanDerWaalsContact CD1-NH2 3.26Å; F29-R72 HydrophobicContact CE1-CB 4.31Å; F29-R72 HydrophobicContact CZ-CB 4.41Å; F29-R72 PolarHBondContact O-NH2 2.72Å; Y32-R72 PolarHBondContact O-NH1 2.93Å; I51-R72 HydrophobicContact CD1-CB 4.26Å; I51-R72 HydrophobicContact CD1-CG 3.8Å; I51-R72 HydrophobicContact CG1-CG 4.5Å; S52-R72 PolarHBondContact O-NH1 2.92Å; Y53-R72 VanDerWaalsContact C-NH1 3.31Å; Y53-R72 PolarHBondContact O-NE 2.91Å; Y53-R72 PolarHBondContact O-NH1 2.92Å; Y53-R72 PolarHBondContact O-NH2 2.02Å; R72-N74 PolarHBondContact NE-OD1 2.79Å; R72-N74 PolarHBondContact NH2-OD1 2.9Å; R72-T78 CarbonylContact C-O 3.52Å; R72-T78 WeakPolarHBondContact CA-O 3.45Å; R72-L79 HydrophobicContact CB-CD1 4.37Å
73	D	97.8	Very high	98	Very high	41 Å²	41	44.9 Å²	44.9	22%	0.219	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	107.5	171.1	-174.8	-19.9	0	0	0	108.5	S75 K76 N77 T78 Y80	D73-S75 VanDerWaalsContact C-N 3.31Å; D73-S75 WeakPolarHBondContact OD1-CB 3.48Å; D73-S75 PolarHBondContact OD1-N 2.97Å; D73-S75 PolarHBondContact OD1-OG 2.91Å; D73-K76 HydrophobicContact CB-CB 4.23Å; D73-K76 PolarHBondContact O-N 2.84Å; D73-K76 PolarHBondContact OD1-N 3.47Å; D73-K76 WeakPolarHBondContact OD2-CD 3.33Å; D73-K76 VanDerWaalsContact OD2-CE 3.24Å; D73-K76 WeakPolarHBondContact OD2-CE 3.49Å; D73-K76 WeakPolarHBondContact OD2-CG 3.43Å; D73-K76 IonicContact OD2-NZ 2.69Å; D73-N77 PolarHBondContact O-N 2.62Å; D73-T78 PolarHBondContact N-O 2.82Å; D73-T78 PolarHBondContact O-N 2.98Å; D73-Y80 HydrophobicContact CB-CE2 3.98Å
74	N	96.7	Very high	98.1	Very high	47 Å²	47	44.5 Å²	44.5	25%	0.251	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.6	-26.2	-178.7	-71.4	-17.7	0	0	0	112.8	I30 R72 K76 N77	I30-N74 HydrophobicContact CB-CB 4.44Å; I30-N74 HydrophobicContact CD1-CB 4.07Å; I30-N74 HydrophobicContact CG1-CB 4.34Å; I30-N74 WeakPolarHBondContact CG1-ND2 3.48Å; R72-N74 PolarHBondContact NE-OD1 2.79Å; R72-N74 PolarHBondContact NH2-OD1 2.9Å; N74-K76 VanDerWaalsContact C-N 3.25Å; N74-K76 PolarHBondContact O-N 2.97Å; N74-N77 PolarHBondContact O-OD1 3.4Å
75	S	96.2	Very high	98.1	Very high	103 Å²	103	47.7 Å²	47.7	72%	0.72	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.5	-26.2	176.6	73.3	0	0	0	0	112	D73	D73-S75 VanDerWaalsContact C-N 3.31Å; D73-S75 WeakPolarHBondContact OD1-CB 3.48Å; D73-S75 PolarHBondContact OD1-N 2.97Å; D73-S75 PolarHBondContact OD1-OG 2.91Å
76	K	97.1	Very high	98.2	Very high	130 Å²	130	41.1 Å²	41.1	57%	0.565	24%	0.244	S	C	*	.	T	Hydrogen-bonded Turn	trans	-105.4	1.6	-179.9	-61.1	-178	-169.8	167	0	113.7	D73 N74 T78	D73-K76 HydrophobicContact CB-CB 4.23Å; D73-K76 PolarHBondContact O-N 2.84Å; D73-K76 PolarHBondContact OD1-N 3.47Å; D73-K76 WeakPolarHBondContact OD2-CD 3.33Å; D73-K76 VanDerWaalsContact OD2-CE 3.24Å; D73-K76 WeakPolarHBondContact OD2-CE 3.49Å; D73-K76 WeakPolarHBondContact OD2-CG 3.43Å; D73-K76 IonicContact OD2-NZ 2.69Å; N74-K76 VanDerWaalsContact C-N 3.25Å; N74-K76 PolarHBondContact O-N 2.97Å; K76-T78 PolarHBondContact O-N 2.96Å; K76-T78 VanDerWaalsContact O-N 3.14Å; K76-T78 PolarHBondContact O-OG1 3.07Å
77	N	97.8	Very high	98.2	Very high	64 Å²	64	43.3 Å²	43.3	34%	0.342	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	47.1	41.7	-171.5	-58.8	-36.4	0	0	0	112.6	A24 F29 D73 N74	A24-N77 HydrophobicContact CB-CB 4.37Å; A24-N77 WeakPolarHBondContact CB-O 2.98Å; A24-N77 PolarHBondContact N-O 3.42Å; A24-N77 WeakPolarHBondContact O-CB 3.37Å; F29-N77 HydrophobicContact CB-CB 3.89Å; F29-N77 WeakPolarHBondContact CB-OD1 3.31Å; F29-N77 HydrophobicContact CD1-CB 4.36Å; F29-N77 HydrophobicContact CG-CB 4.11Å; D73-N77 PolarHBondContact O-N 2.62Å; N74-N77 PolarHBondContact O-OD1 3.4Å
78	T	98.4	Very high	98.1	Very high	15 Å²	15	45.5 Å²	45.5	9%	0.092	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	130.9	-171.2	-56.1	0	0	0	0	111.5	C22 R72 D73 K76 Y80	C22-T78 WeakPolarHBondContact O-CA 3.49Å; R72-T78 CarbonylContact C-O 3.52Å; R72-T78 WeakPolarHBondContact CA-O 3.45Å; D73-T78 PolarHBondContact N-O 2.82Å; D73-T78 PolarHBondContact O-N 2.98Å; K76-T78 PolarHBondContact O-N 2.96Å; K76-T78 VanDerWaalsContact O-N 3.14Å; K76-T78 PolarHBondContact O-OG1 3.07Å; T78-Y80 HydrophobicContact CG2-CD1 4.17Å; T78-Y80 HydrophobicContact CG2-CD2 4.4Å; T78-Y80 HydrophobicContact CG2-CE1 3.53Å; T78-Y80 HydrophobicContact CG2-CE2 3.81Å; T78-Y80 WeakPolarHBondContact CG2-OH 3.02Å
79	L	98.8	Very high	98.1	Very high	0 Å²	0	51.4 Å²	51.4	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	144.7	169.6	-177.7	72.5	0	0	0	109.7	S21 C22 F29 M34 W36 I51 V70 R72 C96	S21-L79 CarbonylContact C-O 3.59Å; S21-L79 VanDerWaalsContact CA-O 3.26Å; S21-L79 WeakPolarHBondContact CA-O 3.26Å; C22-L79 HydrophobicContact CB-CB 4.18Å; C22-L79 PolarHBondContact N-O 3.04Å; C22-L79 PolarHBondContact O-N 2.89Å; F29-L79 HydrophobicContact CZ-CB 4.23Å; M34-L79 HydrophobicContact CB-CD1 3.85Å; M34-L79 HydrophobicContact CB-CD2 3.8Å; M34-L79 HydrophobicContact CB-CG 4.35Å; W36-L79 HydrophobicContact CD2-CD2 4.43Å; W36-L79 HydrophobicContact CG-CD2 4.39Å; W36-L79 HydrophobicContact CZ2-CD2 4.3Å; I51-L79 HydrophobicContact CG2-CD1 3.44Å; I51-L79 VanDerWaalsContact CG2-CD1 3.44Å; V70-L79 HydrophobicContact CG2-CD1 3.85Å; R72-L79 HydrophobicContact CB-CD1 4.37Å; L79-C96 HydrophobicContact CD2-CB 4.01Å
80	Y	98.8	Very high	98	Very high	36 Å²	36	48.4 Å²	48.4	14%	0.141	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	148.2	177.3	-57.6	-79.6	0	0	0	111.6	R19 L20 V70 S71 D73 T78	R19-Y80 VanDerWaalsContact NH2-CG 3.29Å; L20-Y80 VanDerWaalsContact O-CA 3.28Å; L20-Y80 WeakPolarHBondContact O-CA 3.38Å; V70-Y80 WeakPolarHBondContact CA-O 3.28Å; S71-Y80 PolarHBondContact N-O 2.88Å; S71-Y80 PolarHBondContact O-N 2.83Å; D73-Y80 HydrophobicContact CB-CE2 3.98Å; T78-Y80 HydrophobicContact CG2-CD1 4.17Å; T78-Y80 HydrophobicContact CG2-CD2 4.4Å; T78-Y80 HydrophobicContact CG2-CE1 3.53Å; T78-Y80 HydrophobicContact CG2-CE2 3.81Å; T78-Y80 WeakPolarHBondContact CG2-OH 3.02Å
81	L	98.9	Very high	98	Very high	0 Å²	0	50 Å²	50	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	106.7	168.6	-171.9	66.6	0	0	0	108.8	R19 L20 W36 T49 F68 V70 M83 Y94	R19-L81 WeakPolarHBondContact CA-O 3.42Å; L20-L81 HydrophobicContact CB-CB 4.27Å; L20-L81 HydrophobicContact CD1-CD2 4.38Å; L20-L81 PolarHBondContact N-O 2.89Å; L20-L81 PolarHBondContact O-N 2.91Å; W36-L81 HydrophobicContact CB-CD2 4.24Å; W36-L81 HydrophobicContact CD2-CB 4.19Å; W36-L81 HydrophobicContact CD2-CD2 4.17Å; W36-L81 HydrophobicContact CG-CB 4.25Å; W36-L81 HydrophobicContact CG-CD2 3.97Å; W36-L81 HydrophobicContact CG-CG 4.48Å; W36-L81 HydrophobicContact CZ2-CB 4.29Å; T49-L81 HydrophobicContact CG2-CD1 3.93Å; F68-L81 HydrophobicContact CB-CD1 4.18Å; F68-L81 HydrophobicContact CD2-CD1 4.36Å; F68-L81 HydrophobicContact CD2-CD2 4.04Å; F68-L81 HydrophobicContact CD2-CG 4.35Å; F68-L81 HydrophobicContact CE2-CD2 4.45Å; V70-L81 HydrophobicContact CB-CD1 4.3Å; L81-M83 HydrophobicContact CD2-CG 3.96Å; L81-M83 HydrophobicContact CD2-SD 4.29Å; L81-M83 HydrophobicContact CG-CG 3.89Å; L81-Y94 HydrophobicContact CD2-CD1 4.26Å; L81-Y94 HydrophobicContact CD2-CE1 4.36Å
82	Q	98.8	Very high	98	Very high	56 Å²	56	48.3 Å²	48.3	26%	0.262	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80	120.1	168.5	-178.9	62.9	37.9	0	0	108	L18 F68 T69 N84	L18-Q82 PolarHBondContact O-NE2 3.08Å; F68-Q82 CarbonylContact C-O 3.45Å; F68-Q82 VanDerWaalsContact CA-O 3.25Å; F68-Q82 WeakPolarHBondContact CA-O 3.41Å; T69-Q82 PolarHBondContact N-O 2.9Å; T69-Q82 PolarHBondContact O-N 3.03Å; Q82-N84 PolarHBondContact NE2-OD1 3.06Å
83	M	98.7	Very high	98	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	107.5	-178.3	-55.6	167.5	83.3	0	0	108	S17 L18 L20 F68 L81 L86 Y94 V113	S17-M83 CarbonylContact C-O 3.57Å; S17-M83 WeakPolarHBondContact CA-O 3.32Å; S17-M83 VanDerWaalsContact CB-O 3.27Å; S17-M83 WeakPolarHBondContact CB-O 3.43Å; L18-M83 PolarHBondContact N-O 3.22Å; L18-M83 PolarHBondContact O-N 3.48Å; L20-M83 HydrophobicContact CD1-SD 3.73Å; L20-M83 HydrophobicContact CD2-SD 4.3Å; L20-M83 HydrophobicContact CG-SD 3.71Å; F68-M83 HydrophobicContact CD1-CB 3.94Å; F68-M83 HydrophobicContact CD1-CG 4.29Å; F68-M83 HydrophobicContact CD2-CE 4.4Å; F68-M83 HydrophobicContact CD2-CG 4.07Å; F68-M83 HydrophobicContact CE1-CB 3.77Å; F68-M83 HydrophobicContact CE1-CE 4.34Å; F68-M83 HydrophobicContact CE1-CG 4.21Å; F68-M83 HydrophobicContact CE2-CB 4.41Å; F68-M83 HydrophobicContact CE2-CE 3.44Å; F68-M83 VanDerWaalsContact CE2-CE 3.44Å; F68-M83 HydrophobicContact CE2-CG 3.95Å; F68-M83 HydrophobicContact CG-CB 4.38Å; F68-M83 HydrophobicContact CG-CG 4.25Å; F68-M83 HydrophobicContact CZ-CB 4.03Å; F68-M83 HydrophobicContact CZ-CE 3.42Å; F68-M83 VanDerWaalsContact CZ-CE 3.42Å; F68-M83 HydrophobicContact CZ-CG 4.05Å; L81-M83 HydrophobicContact CD2-CG 3.96Å; L81-M83 HydrophobicContact CD2-SD 4.29Å; L81-M83 HydrophobicContact CG-CG 3.89Å; M83-L86 HydrophobicContact CB-CD1 4.37Å; M83-L86 HydrophobicContact CB-CD2 3.95Å; M83-L86 HydrophobicContact CB-CG 4.21Å; M83-L86 HydrophobicContact CE-CD2 3.72Å; M83-Y94 HydrophobicContact CE-CD1 4.3Å; M83-Y94 HydrophobicContact CE-CD2 4.44Å; M83-Y94 HydrophobicContact CE-CE1 3.59Å; M83-Y94 HydrophobicContact CE-CE2 3.77Å; M83-Y94 WeakPolarHBondContact CE-OH 3.19Å; M83-V113 HydrophobicContact CE-CG1 4.41Å; M83-V113 HydrophobicContact CE-CG2 4.44Å; M83-V113 HydrophobicContact SD-CG2 4.37Å
84	N	98.4	Very high	98.1	Very high	52 Å²	52	46.5 Å²	46.5	28%	0.278	25%	0.245	S	C	.	.			trans	-104.1	155.1	177.8	-56.5	-49	0	0	0	111.4	S17 R67 Q82 L86	S17-N84 WeakPolarHBondContact OG-CA 3.16Å; S17-N84 PolarHBondContact OG-OD1 3.08Å; R67-N84 WeakPolarHBondContact CB-O 3.3Å; R67-N84 WeakPolarHBondContact O-CB 3.27Å; R67-N84 PolarHBondContact O-N 3.39Å; Q82-N84 PolarHBondContact NE2-OD1 3.06Å; N84-L86 VanDerWaalsContact C-N 3.31Å; N84-L86 PolarHBondContact O-N 3.32Å
85	S	97.8	Very high	98.2	Very high	67 Å²	67	46.2 Å²	46.2	47%	0.469	24%	0.241	S	C	.	.	S	Bend	trans	50.2	53.5	176.1	-51.8	0	0	0	0	111.5	R16 R67	R16-S85 PolarHBondContact O-N 2.97Å; R67-S85 PolarHBondContact NH1-O 3.48Å
86	L	98.4	Very high	98.3	Very high	2 Å²	2	41.3 Å²	41.3	1%	0.01	21%	0.206	C	C	.	.			trans	-61.1	143.4	-178.3	-81.6	167.4	0	0	0	111.3	V12 G15 R16 L18 F68 M83 N84 D90 V115	V12-L86 HydrophobicContact CG1-CB 4.48Å; V12-L86 HydrophobicContact CG1-CD1 3.53Å; G15-L86 PolarHBondContact N-O 3.48Å; R16-L86 WeakPolarHBondContact O-CB 3.48Å; R16-L86 PolarHBondContact O-N 2.91Å; L18-L86 HydrophobicContact CB-CD1 4Å; L18-L86 HydrophobicContact CD1-CD1 4.03Å; L18-L86 HydrophobicContact CG-CD1 3.97Å; F68-L86 HydrophobicContact CE1-CD2 4.03Å; F68-L86 HydrophobicContact CZ-CD2 3.93Å; M83-L86 HydrophobicContact CB-CD1 4.37Å; M83-L86 HydrophobicContact CB-CD2 3.95Å; M83-L86 HydrophobicContact CB-CG 4.21Å; M83-L86 HydrophobicContact CE-CD2 3.72Å; N84-L86 VanDerWaalsContact C-N 3.31Å; N84-L86 PolarHBondContact O-N 3.32Å; L86-D90 HydrophobicContact CD2-CB 3.73Å; L86-V115 HydrophobicContact CB-CG1 4.29Å; L86-V115 HydrophobicContact CB-CG2 3.94Å; L86-V115 HydrophobicContact CD1-CG2 4.47Å; L86-V115 HydrophobicContact CD2-CG2 4.24Å; L86-V115 HydrophobicContact CG-CG2 4.46Å
87	R	97.9	Very high	98.3	Very high	130 Å²	130	35.1 Å²	35.1	49%	0.491	18%	0.179	S	C	.	.			trans	-122.4	158.9	179.9	-52.7	176	178.6	168.9	-2.9	110.2	E89 D90 V115	R87-E89 WeakPolarHBondContact CB-OE2 3.48Å; R87-E89 PolarHBondContact O-N 2.82Å; R87-E89 VanDerWaalsContact O-N 3.08Å; R87-D90 PolarHBondContact N-OD2 3.31Å; R87-D90 WeakPolarHBondContact O-CB 3.25Å; R87-D90 PolarHBondContact O-N 3.14Å; R87-V115 WeakPolarHBondContact O-CB 3.39Å; R87-V115 WeakPolarHBondContact O-CG2 3.41Å
88	P	97.4	Very high	98.3	Very high	69 Å²	69	33.1 Å²	33.1	45%	0.448	17%	0.167	S	C	.	.	G	3₁₀ helix	trans	-50.3	-35.1	176.1	-29.6	37.8	0	0	0	113.6	P14 D90 T91	P14-P88 HydrophobicContact CG-CG 4.49Å; P88-D90 PolarHBondContact O-N 2.87Å; P88-T91 VanDerWaalsContact O-CB 3.28Å; P88-T91 WeakPolarHBondContact O-CB 3.33Å; P88-T91 PolarHBondContact O-N 2.95Å; P88-T91 VanDerWaalsContact O-N 3.08Å; P88-T91 PolarHBondContact O-OG1 3.03Å
89	E	96.8	Very high	98	Very high	127 Å²	127	34.6 Å²	34.6	59%	0.593	17%	0.174	S	C	*	.	G	3₁₀ helix	trans	-70.7	-10.4	179.1	-51.1	75.4	-153.9	0	0	113.8	R87 T91	R87-E89 WeakPolarHBondContact CB-OE2 3.48Å; R87-E89 PolarHBondContact O-N 2.82Å; R87-E89 VanDerWaalsContact O-N 3.08Å; E89-T91 VanDerWaalsContact C-N 3.28Å
90	D	98.2	Very high	97.5	Very high	3 Å²	3	37 Å²	37	2%	0.016	19%	0.187	C	C	.	.	G	3₁₀ helix	trans	-85.5	-0	172.2	-59.6	-47	0	0	0	112.7	R38 R67 F68 L86 R87 P88 A92 Y94 V115	R38-D90 IonicContact NH1-OD1 2.62Å; R38-D90 PolarHBondContact NH1-OD1 3.04Å; R67-D90 IonicContact CZ-OD1 3.7Å; R67-D90 IonicContact CZ-OD2 2.98Å; R67-D90 IonicContact NH1-OD1 3.6Å; R67-D90 IonicContact NH1-OD2 3.02Å; R67-D90 PolarHBondContact NH1-OD2 3.03Å; R67-D90 IonicContact NH2-OD1 3.53Å; R67-D90 PolarHBondContact NH2-OD1 2.83Å; R67-D90 IonicContact NH2-OD2 2.91Å; R67-D90 PolarHBondContact NH2-OD2 2.78Å; F68-D90 HydrophobicContact CZ-CB 4.3Å; L86-D90 HydrophobicContact CD2-CB 3.73Å; R87-D90 PolarHBondContact N-OD2 3.31Å; R87-D90 WeakPolarHBondContact O-CB 3.25Å; R87-D90 PolarHBondContact O-N 3.14Å; P88-D90 PolarHBondContact O-N 2.87Å; D90-A92 PolarHBondContact O-N 2.9Å; D90-Y94 VanDerWaalsContact O-CE2 3.31Å; D90-Y94 WeakPolarHBondContact O-CE2 3.11Å; D90-Y94 PolarHBondContact O-OH 2.97Å; D90-Y94 VanDerWaalsContact O-OH 3.05Å; D90-V115 HydrophobicContact CB-CG2 4.42Å
91	T	98.5	Very high	96.8	Very high	35 Å²	35	43 Å²	43	22%	0.215	22%	0.22	C	C	.	.			trans	-66.3	113.5	172.8	-62.5	0	0	0	0	110.6	P88 E89 V113 T114 V115	P88-T91 VanDerWaalsContact O-CB 3.28Å; P88-T91 WeakPolarHBondContact O-CB 3.33Å; P88-T91 PolarHBondContact O-N 2.95Å; P88-T91 VanDerWaalsContact O-N 3.08Å; P88-T91 PolarHBondContact O-OG1 3.03Å; E89-T91 VanDerWaalsContact C-N 3.28Å; T91-V113 WeakPolarHBondContact CA-O 3.5Å; T91-T114 HydrophobicContact CG2-CG2 4.38Å; T91-V115 PolarHBondContact OG1-N 2.6Å
92	A	98.6	Very high	96	Very high	3 Å²	3	46 Å²	46	3%	0.025	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-166.3	166.9	-177.1	0	0	0	0	0	111.5	R38 Q39 A40 D90 Y94 V113	R38-A92 HydrophobicContact CB-CB 3.86Å; R38-A92 HydrophobicContact CG-CB 4.17Å; Q39-A92 WeakPolarHBondContact O-CA 3.34Å; Q39-A92 WeakPolarHBondContact O-CB 3.25Å; A40-A92 HydrophobicContact CB-CB 4.37Å; D90-A92 PolarHBondContact O-N 2.9Å; A92-Y94 HydrophobicContact CB-CD2 4.18Å; A92-Y94 HydrophobicContact CB-CE2 3.76Å; A92-Y94 WeakPolarHBondContact O-CD2 3.37Å; A92-V113 PolarHBondContact N-O 2.97Å; A92-V113 PolarHBondContact O-N 2.87Å
93	V	98.8	Very high	95.5	Very high	37 Å²	37	49.3 Å²	49.3	22%	0.224	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83	126.7	158.6	-173.2	0	0	0	0	108.1	R38 Q39 Y95 T111	R38-V93 CarbonylContact C-O 3.55Å; R38-V93 WeakPolarHBondContact CA-O 3.46Å; Q39-V93 PolarHBondContact N-O 3.15Å; Q39-V93 PolarHBondContact O-N 3.23Å; V93-Y95 HydrophobicContact CB-CE2 3.9Å; V93-Y95 HydrophobicContact CG1-CD1 4.43Å; V93-Y95 HydrophobicContact CG1-CD2 4.45Å; V93-Y95 HydrophobicContact CG1-CE1 3.73Å; V93-Y95 HydrophobicContact CG1-CE2 3.76Å; V93-Y95 WeakPolarHBondContact CG1-OH 3.43Å; V93-T111 WeakPolarHBondContact CA-O 3.31Å
94	Y	98.8	Very high	95.3	Very high	0 Å²	0	52.3 Å²	52.3	0%	0	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	126.9	179.9	-77.5	-100.5	0	0	0	110.2	L20 V37 R38 V48 F68 L81 M83 D90 A92 G110 T111 V113	L20-Y94 HydrophobicContact CD1-CD1 4.04Å; L20-Y94 HydrophobicContact CD1-CD2 4.37Å; L20-Y94 HydrophobicContact CD1-CG 3.75Å; V37-Y94 CarbonylContact O-C 3.52Å; V37-Y94 WeakPolarHBondContact O-CA 3.31Å; R38-Y94 HydrophobicContact CB-CD1 3.81Å; R38-Y94 HydrophobicContact CB-CD2 4.35Å; R38-Y94 HydrophobicContact CB-CE1 3.75Å; R38-Y94 HydrophobicContact CB-CE2 4.28Å; R38-Y94 HydrophobicContact CB-CG 4.11Å; R38-Y94 WeakPolarHBondContact CD-OH 3.38Å; R38-Y94 HydrophobicContact CG-CE1 4.39Å; R38-Y94 PolarHBondContact NH1-OH 2.94Å; V48-Y94 HydrophobicContact CG2-CE1 4.3Å; F68-Y94 HydrophobicContact CE2-CE1 4.24Å; L81-Y94 HydrophobicContact CD2-CD1 4.26Å; L81-Y94 HydrophobicContact CD2-CE1 4.36Å; M83-Y94 HydrophobicContact CE-CD1 4.3Å; M83-Y94 HydrophobicContact CE-CD2 4.44Å; M83-Y94 HydrophobicContact CE-CE1 3.59Å; M83-Y94 HydrophobicContact CE-CE2 3.77Å; M83-Y94 WeakPolarHBondContact CE-OH 3.19Å; D90-Y94 VanDerWaalsContact O-CE2 3.31Å; D90-Y94 WeakPolarHBondContact O-CE2 3.11Å; D90-Y94 PolarHBondContact O-OH 2.97Å; D90-Y94 VanDerWaalsContact O-OH 3.05Å; A92-Y94 HydrophobicContact CB-CD2 4.18Å; A92-Y94 HydrophobicContact CB-CE2 3.76Å; A92-Y94 WeakPolarHBondContact O-CD2 3.37Å; Y94-G110 CarbonylContact O-C 3.45Å; Y94-G110 WeakPolarHBondContact O-CA 3.24Å; Y94-T111 PolarHBondContact N-O 3.2Å; Y94-T111 PolarHBondContact O-N 3.3Å; Y94-V113 HydrophobicContact CD2-CB 3.92Å; Y94-V113 HydrophobicContact CD2-CG2 3.76Å; Y94-V113 HydrophobicContact CE2-CB 3.85Å; Y94-V113 HydrophobicContact CE2-CG2 4.06Å
95	Y	98.8	Very high	95	Very high	41 Å²	41	53.5 Å²	53.5	16%	0.161	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	139.5	-179.5	-51.6	-89.3	0	0	0	109.7	E6 W36 V37 Q39 L45 V93 Q109	E6-Y95 VanDerWaalsContact OE1-CA 3.28Å; E6-Y95 WeakPolarHBondContact OE1-CA 3.36Å; W36-Y95 WeakPolarHBondContact CA-O 3.48Å; V37-Y95 PolarHBondContact N-O 3.42Å; V37-Y95 PolarHBondContact O-N 2.78Å; Q39-Y95 HydrophobicContact CB-CE2 3.91Å; Q39-Y95 PolarHBondContact OE1-OH 2.9Å; L45-Y95 HydrophobicContact CD2-CD2 4.27Å; L45-Y95 HydrophobicContact CD2-CE2 4.17Å; V93-Y95 HydrophobicContact CB-CE2 3.9Å; V93-Y95 HydrophobicContact CG1-CD1 4.43Å; V93-Y95 HydrophobicContact CG1-CD2 4.45Å; V93-Y95 HydrophobicContact CG1-CE1 3.73Å; V93-Y95 HydrophobicContact CG1-CE2 3.76Å; V93-Y95 WeakPolarHBondContact CG1-OH 3.43Å; Y95-Q109 WeakPolarHBondContact CE1-O 3.38Å
96	C	98.2	Very high	95	Very high	0 Å²	0	51.3 Å²	51.3	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	144.9	161.8	60.5	0	0	0	0	110.3	L4 E6 C22 H35 W36 L79 G108	L4-C96 WeakPolarHBondContact CD1-O 3.47Å; E6-C96 VanDerWaalsContact CD-SG 3.58Å; E6-C96 HydrophobicContact CG-CB 4.43Å; E6-C96 PolarHBondContact OE1-N 3.15Å; E6-C96 PolarHBondContact OE1-SG 3.47Å; E6-C96 VanDerWaalsContact OE1-SG 3.33Å; C22-C96 HydrophobicContact CB-CB 3.47Å; C22-C96 VanDerWaalsContact CB-CB 3.47Å; C22-C96 WeakPolarHBondContact CB-SG 3.39Å; C22-C96 WeakPolarHBondContact SG-CB 3.44Å; C22-C96 CovalentContact SG-SG 2.02Å; C22-C96 PolarHBondContact SG-SG 3.29Å; H35-C96 VanDerWaalsContact O-CA 3.27Å; H35-C96 WeakPolarHBondContact O-CA 3.39Å; W36-C96 HydrophobicContact CD2-CB 4.4Å; W36-C96 HydrophobicContact CE3-CB 4.26Å; W36-C96 HydrophobicContact CH2-CB 4.23Å; W36-C96 HydrophobicContact CZ2-CB 4.36Å; W36-C96 HydrophobicContact CZ3-CB 4.18Å; L79-C96 HydrophobicContact CD2-CB 4.01Å; C96-G108 PolarHBondContact O-N 3.3Å
97	A	98.2	Very high	94.9	Very high	0 Å²	0	55.4 Å²	55.4	0%	0	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	145.1	178	0	0	0	0	0	111.5	M34 H35 M104 V106 W107	M34-A97 WeakPolarHBondContact CA-O 3.34Å; H35-A97 HydrophobicContact CB-CB 4.37Å; H35-A97 PolarHBondContact N-O 3.47Å; H35-A97 PolarHBondContact O-N 3.35Å; A97-M104 HydrophobicContact CB-CB 4.32Å; A97-M104 HydrophobicContact CB-CG 4.36Å; A97-M104 HydrophobicContact CB-SD 4.01Å; A97-V106 CarbonylContact C-O 3.49Å; A97-V106 WeakPolarHBondContact CA-O 3.27Å; A97-W107 HydrophobicContact CB-CD2 3.73Å; A97-W107 HydrophobicContact CB-CE3 3.86Å; A97-W107 HydrophobicContact CB-CG 4.25Å; A97-W107 HydrophobicContact CB-CH2 4.32Å; A97-W107 HydrophobicContact CB-CZ2 4.19Å; A97-W107 HydrophobicContact CB-CZ3 4.16Å
98	R	96.9	Very high	94.9	Very high	22 Å²	22	49.5 Å²	49.5	8%	0.083	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	146.3	169.1	-174.7	179.9	73.6	164.1	0.3	109.3	F27 Y32 M34 D100 M104 D105 V106	F27-R98 HydrophobicContact CE2-CG 4.3Å; Y32-R98 HydrophobicContact CD1-CG 3.95Å; Y32-R98 HydrophobicContact CG-CG 3.85Å; M34-R98 HydrophobicContact SD-CB 4.18Å; M34-R98 HydrophobicContact SD-CG 4.34Å; R98-D100 IonicContact NH2-OD2 3.71Å; R98-M104 VanDerWaalsContact O-CA 3.3Å; R98-M104 WeakPolarHBondContact O-CA 3.36Å; R98-D105 IonicContact CZ-OD1 3.32Å; R98-D105 IonicContact CZ-OD2 3.93Å; R98-D105 IonicContact NE-OD1 3.61Å; R98-D105 PolarHBondContact NE-OD1 2.71Å; R98-D105 IonicContact NE-OD2 2.98Å; R98-D105 IonicContact NH2-OD1 3.39Å; R98-D105 PolarHBondContact NH2-OD1 3.31Å; R98-D105 IonicContact NH2-OD2 3.4Å; R98-D105 PolarHBondContact NH2-OD2 2.74Å; R98-D105 PolarHBondContact O-N 3.23Å; R98-V106 HydrophobicContact CB-CB 3.95Å; R98-V106 PolarHBondContact N-O 3.21Å
99	I	93	Very high	94.9	Very high	47 Å²	47	54.5 Å²	54.5	24%	0.241	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	128.3	164.7	-177.2	162.7	0	0	0	110.8	Y32 G33 L50 L103	Y32-I99 WeakPolarHBondContact CD1-O 3.32Å; G33-I99 WeakPolarHBondContact O-CG2 3.39Å; G33-I99 PolarHBondContact O-N 2.78Å; L50-I99 HydrophobicContact CD1-CG2 4.45Å; I99-L103 CarbonylContact C-O 3.56Å; I99-L103 WeakPolarHBondContact CA-O 3.38Å
100	D	88.6	Confident	95	Very high	50 Å²	50	49.5 Å²	49.5	27%	0.267	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	132	173.1	-162.1	0.9	0	0	0	109.6	Y32 R98 G102 L103	Y32-D100 HydrophobicContact CD1-CB 4.36Å; Y32-D100 HydrophobicContact CE1-CB 3.93Å; Y32-D100 VanDerWaalsContact CE1-CG 3.5Å; R98-D100 IonicContact NH2-OD2 3.71Å; D100-G102 PolarHBondContact O-N 3.06Å; D100-L103 PolarHBondContact N-O 3.08Å; D100-L103 PolarHBondContact O-N 2.92Å
101	I	83	Confident	95	Very high	162 Å²	162	50.4 Å²	50.4	83%	0.831	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.2	35.2	-179	-35.4	-177.9	0	0	0	113.2	L103	I101-L103 VanDerWaalsContact C-N 3.35Å; I101-L103 PolarHBondContact O-N 2.9Å
102	G	81.8	Confident	95	Very high	62 Å²	62	52.4 Å²	52.4	64%	0.639	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	82.4	1.8	179.6	0	0	0	0	0	115.7	D100	D100-G102 PolarHBondContact O-N 3.06Å
103	L	88.9	Confident	95	Very high	126 Å²	126	52.2 Å²	52.2	66%	0.66	29%	0.285	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-117.8	148.3	-180	-63.2	174.4	0	0	0	111.8	I99 D100 I101 D105	I99-L103 CarbonylContact C-O 3.56Å; I99-L103 WeakPolarHBondContact CA-O 3.38Å; D100-L103 PolarHBondContact N-O 3.08Å; D100-L103 PolarHBondContact O-N 2.92Å; I101-L103 VanDerWaalsContact C-N 3.35Å; I101-L103 PolarHBondContact O-N 2.9Å; L103-D105 PolarHBondContact O-N 3.08Å
104	M	93.4	Very high	95	Very high	63 Å²	63	52.6 Å²	52.6	31%	0.31	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	102.1	171.5	-63.8	-174.5	-168.3	0	0	110.2	H35 V37 A97 R98 W107	H35-M104 HydrophobicContact CB-CE 3.9Å; H35-M104 HydrophobicContact CB-SD 4.37Å; H35-M104 VanDerWaalsContact CG-CE 3.42Å; H35-M104 WeakPolarHBondContact ND1-CE 3.33Å; V37-M104 HydrophobicContact CG2-CE 4.17Å; V37-M104 HydrophobicContact CG2-SD 3.99Å; A97-M104 HydrophobicContact CB-CB 4.32Å; A97-M104 HydrophobicContact CB-CG 4.36Å; A97-M104 HydrophobicContact CB-SD 4.01Å; R98-M104 VanDerWaalsContact O-CA 3.3Å; R98-M104 WeakPolarHBondContact O-CA 3.36Å; M104-W107 HydrophobicContact CB-CZ2 3.59Å; M104-W107 HydrophobicContact CG-CZ2 4.17Å; M104-W107 PolarHBondContact O-NE1 2.89Å; M104-W107 VanDerWaalsContact O-NE1 3.13Å; M104-W107 HydrophobicContact SD-CH2 3.63Å; M104-W107 HydrophobicContact SD-CZ2 3.44Å; M104-W107 WeakPolarHBondContact SD-CZ2 3.41Å
105	D	93.6	Very high	95	Very high	77 Å²	77	53 Å²	53	41%	0.412	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	-22.2	-168.5	70.2	-24.7	0	0	0	114.2	R98 L103	R98-D105 IonicContact CZ-OD1 3.32Å; R98-D105 IonicContact CZ-OD2 3.93Å; R98-D105 IonicContact NE-OD1 3.61Å; R98-D105 PolarHBondContact NE-OD1 2.71Å; R98-D105 IonicContact NE-OD2 2.98Å; R98-D105 IonicContact NH2-OD1 3.39Å; R98-D105 PolarHBondContact NH2-OD1 3.31Å; R98-D105 IonicContact NH2-OD2 3.4Å; R98-D105 PolarHBondContact NH2-OD2 2.74Å; R98-D105 PolarHBondContact O-N 3.23Å; L103-D105 PolarHBondContact O-N 3.08Å
106	V	96.1	Very high	94.8	Very high	21 Å²	21	53.4 Å²	53.4	13%	0.127	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	128.4	176.8	179.3	0	0	0	0	109.4	V2 L4 A97 R98	V2-V106 HydrophobicContact CG1-CB 4.25Å; V2-V106 HydrophobicContact CG1-CG1 3.55Å; V2-V106 HydrophobicContact CG1-CG2 3.7Å; L4-V106 HydrophobicContact CD1-CB 4.49Å; L4-V106 HydrophobicContact CD1-CG1 3.86Å; L4-V106 HydrophobicContact CG-CG1 3.9Å; A97-V106 CarbonylContact C-O 3.49Å; A97-V106 WeakPolarHBondContact CA-O 3.27Å; R98-V106 HydrophobicContact CB-CB 3.95Å; R98-V106 PolarHBondContact N-O 3.21Å
107	W	97.9	Very high	94.2	Very high	89 Å²	89	61 Å²	61	34%	0.337	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	144.4	-178	-67.6	76	0	0	0	110.8	V37 L45 A97 M104	V37-W107 HydrophobicContact CB-CH2 4.03Å; V37-W107 HydrophobicContact CB-CZ3 3.7Å; V37-W107 HydrophobicContact CG1-CH2 3.92Å; V37-W107 HydrophobicContact CG1-CZ3 3.79Å; V37-W107 HydrophobicContact CG2-CH2 3.76Å; V37-W107 HydrophobicContact CG2-CZ3 3.86Å; L45-W107 HydrophobicContact CD1-CH2 4.18Å; L45-W107 HydrophobicContact CD1-CZ3 4.47Å; A97-W107 HydrophobicContact CB-CD2 3.73Å; A97-W107 HydrophobicContact CB-CE3 3.86Å; A97-W107 HydrophobicContact CB-CG 4.25Å; A97-W107 HydrophobicContact CB-CH2 4.32Å; A97-W107 HydrophobicContact CB-CZ2 4.19Å; A97-W107 HydrophobicContact CB-CZ3 4.16Å; M104-W107 HydrophobicContact CB-CZ2 3.59Å; M104-W107 HydrophobicContact CG-CZ2 4.17Å; M104-W107 PolarHBondContact O-NE1 2.89Å; M104-W107 VanDerWaalsContact O-NE1 3.13Å; M104-W107 HydrophobicContact SD-CH2 3.63Å; M104-W107 HydrophobicContact SD-CZ2 3.44Å; M104-W107 WeakPolarHBondContact SD-CZ2 3.41Å
108	G	98	Very high	94.1	Very high	6 Å²	6	64.1 Å²	64.1	6%	0.062	37%	0.37	C	S	.	.			trans	-77.5	173.3	165.7	0	0	0	0	0	112.1	L4 E6 C96 G110	L4-G108 WeakPolarHBondContact O-CA 3.34Å; E6-G108 WeakPolarHBondContact OE1-CA 3.32Å; E6-G108 WeakPolarHBondContact OE2-CA 3.16Å; C96-G108 PolarHBondContact O-N 3.3Å; G108-G110 VanDerWaalsContact C-N 3.26Å
109	Q	97.2	Very high	93.9	Very high	174 Å²	174	66.3 Å²	66.3	81%	0.813	39%	0.385	S	S	*	.			trans	-81	-12.9	-179.8	-62.7	-60.6	-57.3	0	0	112.2	E6 Y95	E6-Q109 PolarHBondContact OE2-N 3.25Å; E6-Q109 VanDerWaalsContact OE2-N 3.11Å; Y95-Q109 WeakPolarHBondContact CE1-O 3.38Å
110	G	98.3	Very high	94	Very high	21 Å²	21	67.4 Å²	67.4	22%	0.216	39%	0.393	C	S	.	.			trans	90	158.8	176.7	0	0	0	0	0	113.7	E6 Y94 G108	E6-G110 VanDerWaalsContact CD-N 3.34Å; E6-G110 PolarHBondContact OE1-N 3.12Å; E6-G110 PolarHBondContact OE2-N 3.42Å; Y94-G110 CarbonylContact O-C 3.45Å; Y94-G110 WeakPolarHBondContact O-CA 3.24Å; G108-G110 VanDerWaalsContact C-N 3.26Å
111	T	98.6	Very high	94.3	Very high	22 Å²	22	68.4 Å²	68.4	14%	0.135	40%	0.401	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	138.8	174.1	-166.4	0	0	0	0	110	E6 G9 L20 V93 Y94	E6-T111 HydrophobicContact CB-CG2 3.9Å; G9-T111 WeakPolarHBondContact CA-OG1 3.41Å; G9-T111 PolarHBondContact N-OG1 2.98Å; L20-T111 HydrophobicContact CD1-CG2 4.07Å; L20-T111 HydrophobicContact CD2-CG2 3.94Å; L20-T111 HydrophobicContact CG-CG2 4.49Å; V93-T111 WeakPolarHBondContact CA-O 3.31Å; Y94-T111 PolarHBondContact N-O 3.2Å; Y94-T111 PolarHBondContact O-N 3.3Å
112	T	98.6	Very high	95	Very high	77 Å²	77	62.6 Å²	62.6	47%	0.472	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	129.5	-176.6	-60	0	0	0	0	110.2	G9 G10	G9-T112 CarbonylContact C-O 3.4Å; G9-T112 VanDerWaalsContact CA-O 3.27Å; G9-T112 WeakPolarHBondContact CA-O 3.36Å; G10-T112 PolarHBondContact N-O 2.57Å
113	V	98.6	Very high	95.9	Very high	0 Å²	0	62.6 Å²	62.6	0%	0	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	126.6	167.4	175.2	0	0	0	0	107.7	L18 L20 M83 T91 A92 Y94 V115	L18-V113 HydrophobicContact CD1-CG1 4Å; L20-V113 HydrophobicContact CD1-CG2 4.22Å; L20-V113 HydrophobicContact CD2-CG2 3.87Å; M83-V113 HydrophobicContact CE-CG1 4.41Å; M83-V113 HydrophobicContact CE-CG2 4.44Å; M83-V113 HydrophobicContact SD-CG2 4.37Å; T91-V113 WeakPolarHBondContact CA-O 3.5Å; A92-V113 PolarHBondContact N-O 2.97Å; A92-V113 PolarHBondContact O-N 2.87Å; Y94-V113 HydrophobicContact CD2-CB 3.92Å; Y94-V113 HydrophobicContact CD2-CG2 3.76Å; Y94-V113 HydrophobicContact CE2-CB 3.85Å; Y94-V113 HydrophobicContact CE2-CG2 4.06Å; V113-V115 HydrophobicContact CG1-CG2 4.25Å
114	T	98.4	Very high	96.3	Very high	44 Å²	44	58.1 Å²	58.1	27%	0.27	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	126.4	175.8	-57.5	0	0	0	0	109.2	G10 V11 V12 T91	G10-T114 PolarHBondContact O-N 3.05Å; V11-T114 CarbonylContact C-O 3.54Å; V11-T114 WeakPolarHBondContact CA-O 3.29Å; V11-T114 HydrophobicContact CG1-CG2 4.49Å; V12-T114 PolarHBondContact N-O 3.07Å; T91-T114 HydrophobicContact CG2-CG2 4.38Å
115	V	98	Very high	96.6	Very high	8 Å²	8	57.7 Å²	57.7	5%	0.048	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	102.6	177.9	-172.4	0	0	0	0	108.3	V12 P14 L86 R87 D90 T91 V113	V12-V115 HydrophobicContact CG1-CG2 4.2Å; V12-V115 VanDerWaalsContact O-CA 3.29Å; V12-V115 WeakPolarHBondContact O-CA 3.35Å; P14-V115 HydrophobicContact CB-CG1 4.3Å; P14-V115 HydrophobicContact CG-CG1 4.09Å; L86-V115 HydrophobicContact CB-CG1 4.29Å; L86-V115 HydrophobicContact CB-CG2 3.94Å; L86-V115 HydrophobicContact CD1-CG2 4.47Å; L86-V115 HydrophobicContact CD2-CG2 4.24Å; L86-V115 HydrophobicContact CG-CG2 4.46Å; R87-V115 WeakPolarHBondContact O-CB 3.39Å; R87-V115 WeakPolarHBondContact O-CG2 3.41Å; D90-V115 HydrophobicContact CB-CG2 4.42Å; T91-V115 PolarHBondContact OG1-N 2.6Å; V113-V115 HydrophobicContact CG1-CG2 4.25Å
116	S	95.5	Very high	96.8	Very high	50 Å²	50	56.1 Å²	56.1	35%	0.35	33%	0.33	S	S	.	.			trans	-146.4	149.6	-175	58.5	0	0	0	0	110.8	V11 V12 E13	V11-S116 WeakPolarHBondContact CG1-OG 3.05Å; V12-S116 PolarHBondContact O-N 2.7Å; V12-S116 VanDerWaalsContact O-N 3.07Å; E13-S116 WeakPolarHBondContact CA-O 3.31Å
117	S	86.5	Confident	96.9	Very high	161 Å²	161	59.3 Å²	59.3	100%	1.126	35%	0.348	S	S	*	.			trans	-76.8	0	170	58.5	0	0	0	0	112.2

Retrieved 117 of 117 residues in 168 ms (Link to these results)

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