A0A075B5Q7_MOUSE Loading...

Immunoglobulin heavy variable 2-6-8

AlphaFold DB , UniProt , Accession A0A075B5Q7, Species MOUSE (Mus musculus, Mouse), Gene Ighv2-6-8, Length 114 aa.

						>A0A075B5Q7_MOUSE|A0A075B5Q7|Ighv2-6-8
MAVLALLLCLVTFPSILSQVQLKESGPGLVAPSQSLSITCTVSGFSLTSYGVDWVRQSPGKGLEWLGVIWGVGSTNYNSALKSRLSISKDNSKSQVFLKMNSLQTDDTAMYYCA
					

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	68.6	Low	71.6	Confident	201 Å²	201	109.2 Å²	109.2	99%	0.99	63%	0.629	S	S	*	*				0	-47.5	0	-71.1	173.1	66.4	0	0	112.8	V3 L4 A5	M1-V3 PolarHBondContact O-N 3Å; M1-L4 PolarHBondContact O-N 2.96Å; M1-A5 PolarHBondContact O-N 3.27Å
2	A	75.7	Confident	70.9	Confident	82 Å²	82	107.4 Å²	107.4	68%	0.678	62%	0.622	S	S	*	*	H	α-helix	trans	-58.6	-39.4	179	0	0	0	0	0	114.7	L4 A5 L6	A2-L4 PolarHBondContact O-N 2.93Å; A2-A5 PolarHBondContact O-N 3.39Å; A2-L6 PolarHBondContact O-N 3.28Å
3	V	79.8	Confident	70.3	Confident	107 Å²	107	111.7 Å²	111.7	65%	0.648	63%	0.629	S	S	*	*	H	α-helix	trans	-65	-39.2	177.2	-176.8	0	0	0	0	111.9	M1 L6 L7	M1-V3 PolarHBondContact O-N 3Å; V3-L6 PolarHBondContact O-N 3.23Å; V3-L7 HydrophobicContact CG1-CD1 4.24Å; V3-L7 WeakPolarHBondContact O-CG 3.49Å; V3-L7 PolarHBondContact O-N 2.79Å
4	L	76	Confident	69.6	Low	117 Å²	117	110.6 Å²	110.6	61%	0.613	63%	0.629	S	S	*	*	H	α-helix	trans	-65.7	-40.3	174.4	-81.6	144.2	0	0	0	111.5	M1 A2 L7 L8	M1-L4 PolarHBondContact O-N 2.96Å; A2-L4 PolarHBondContact O-N 2.93Å; L4-L7 PolarHBondContact O-N 2.83Å; L4-L8 WeakPolarHBondContact O-CB 3.15Å; L4-L8 WeakPolarHBondContact O-CD1 3.47Å; L4-L8 WeakPolarHBondContact O-CG 3.46Å; L4-L8 PolarHBondContact O-N 3Å
5	A	76.2	Confident	69.2	Low	52 Å²	52	109.7 Å²	109.7	43%	0.43	63%	0.632	S	S	.	*	H	α-helix	trans	-65.1	-39.1	175.3	0	0	0	0	0	112.4	M1 A2 L8 C9	M1-A5 PolarHBondContact O-N 3.27Å; A2-A5 PolarHBondContact O-N 3.39Å; A5-L8 PolarHBondContact O-N 3.4Å; A5-C9 PolarHBondContact O-N 3.36Å; A5-C9 PolarHBondContact O-SG 3.37Å
6	L	70.1	Confident	68.9	Low	117 Å²	117	112.3 Å²	112.3	61%	0.613	64%	0.641	S	S	*	*	H	α-helix	trans	-66.9	-41.6	176.2	-167.2	74.4	0	0	0	112	A2 V3 L8 C9 L10	A2-L6 PolarHBondContact O-N 3.28Å; V3-L6 PolarHBondContact O-N 3.23Å; L6-L8 VanDerWaalsContact C-N 3.32Å; L6-L8 PolarHBondContact O-N 3.36Å; L6-C9 PolarHBondContact O-N 2.87Å; L6-L10 WeakPolarHBondContact O-CG 3.3Å; L6-L10 PolarHBondContact O-N 3.24Å; L6-L10 VanDerWaalsContact O-N 3.15Å
7	L	72.4	Confident	68.6	Low	104 Å²	104	114.9 Å²	114.9	55%	0.545	65%	0.651	S	S	.	*	H	α-helix	trans	-63.7	-37.1	173.4	-72.1	168.3	0	0	0	111.8	V3 L4 L10	V3-L7 HydrophobicContact CG1-CD1 4.24Å; V3-L7 WeakPolarHBondContact O-CG 3.49Å; V3-L7 PolarHBondContact O-N 2.79Å; L4-L7 PolarHBondContact O-N 2.83Å; L7-L10 PolarHBondContact O-N 2.82Å
8	L	68.8	Low	68.9	Low	110 Å²	110	113 Å²	113	58%	0.576	65%	0.647	S	S	*	*	H	α-helix	trans	-67.4	-38.4	173.7	-72.4	166	0	0	0	112.1	L4 A5 L6 L10 V11 T12	L4-L8 WeakPolarHBondContact O-CB 3.15Å; L4-L8 WeakPolarHBondContact O-CD1 3.47Å; L4-L8 WeakPolarHBondContact O-CG 3.46Å; L4-L8 PolarHBondContact O-N 3Å; A5-L8 PolarHBondContact O-N 3.4Å; L6-L8 VanDerWaalsContact C-N 3.32Å; L6-L8 PolarHBondContact O-N 3.36Å; L8-L10 VanDerWaalsContact C-N 3.33Å; L8-L10 PolarHBondContact O-N 3.3Å; L8-V11 WeakPolarHBondContact O-CG2 3.43Å; L8-V11 PolarHBondContact O-N 3.07Å; L8-T12 WeakPolarHBondContact O-CG2 3.43Å; L8-T12 PolarHBondContact O-N 2.66Å; L8-T12 PolarHBondContact O-OG1 2.84Å
9	C	67.6	Low	70	Confident	77 Å²	77	114.7 Å²	114.7	52%	0.52	65%	0.648	S	S	.	*	H	α-helix	trans	-65.9	-32.6	175.5	-77.9	0	0	0	0	113.5	A5 L6 V11 T12	A5-C9 PolarHBondContact O-N 3.36Å; A5-C9 PolarHBondContact O-SG 3.37Å; L6-C9 PolarHBondContact O-N 2.87Å; C9-V11 VanDerWaalsContact C-N 3.29Å; C9-V11 PolarHBondContact O-N 3.02Å; C9-T12 PolarHBondContact O-N 3.24Å; C9-T12 PolarHBondContact O-OG1 2.79Å; C9-T12 VanDerWaalsContact O-OG1 3.1Å
10	L	65.2	Low	71.1	Confident	132 Å²	132	113.3 Å²	113.3	69%	0.691	64%	0.642	S	S	*	*	H	α-helix	trans	-69.6	-25.6	177.4	-71.9	167.1	0	0	0	112.7	L6 L7 L8	L6-L10 WeakPolarHBondContact O-CG 3.3Å; L6-L10 PolarHBondContact O-N 3.24Å; L6-L10 VanDerWaalsContact O-N 3.15Å; L7-L10 PolarHBondContact O-N 2.82Å; L8-L10 VanDerWaalsContact C-N 3.33Å; L8-L10 PolarHBondContact O-N 3.3Å
11	V	67.5	Low	72.3	Confident	102 Å²	102	112.9 Å²	112.9	62%	0.618	64%	0.635	S	S	*	*	H	α-helix	trans	-91.7	-10.1	177.6	-63.2	0	0	0	0	114	L8 C9 P14	L8-V11 WeakPolarHBondContact O-CG2 3.43Å; L8-V11 PolarHBondContact O-N 3.07Å; C9-V11 VanDerWaalsContact C-N 3.29Å; C9-V11 PolarHBondContact O-N 3.02Å; V11-P14 WeakPolarHBondContact O-CD 3.31Å
12	T	63	Low	73.7	Confident	88 Å²	88	105.7 Å²	105.7	54%	0.54	60%	0.6	S	S	.	*	S	Bend	trans	-91.3	-0.8	-177.3	52.6	0	0	0	0	115.1	L8 C9 P14	L8-T12 WeakPolarHBondContact O-CG2 3.43Å; L8-T12 PolarHBondContact O-N 2.66Å; L8-T12 PolarHBondContact O-OG1 2.84Å; C9-T12 PolarHBondContact O-N 3.24Å; C9-T12 PolarHBondContact O-OG1 2.79Å; C9-T12 VanDerWaalsContact O-OG1 3.1Å; T12-P14 VanDerWaalsContact C-CD 3.48Å
13	F	63.2	Low	74.7	Confident	163 Å²	163	109 Å²	109	72%	0.715	60%	0.599	S	S	*	*			trans	-130.3	58.7	175.2	-63.2	-82.7	0	0	0	112.9	S15	F13-S15 PolarHBondContact O-N 2.7Å
14	P	59.8	Low	75.6	Confident	96 Å²	96	107 Å²	107	62%	0.623	58%	0.583	S	S	*	*			trans	-65.8	92.8	147	29.2	-25.2	0	0	0	105.1	V11 T12 I16	V11-P14 WeakPolarHBondContact O-CD 3.31Å; T12-P14 VanDerWaalsContact C-CD 3.48Å; P14-I16 PolarHBondContact O-N 3Å
15	S	64.1	Low	76.7	Confident	97 Å²	97	104.2 Å²	104.2	68%	0.678	57%	0.573	S	S	*	*			trans	-55.1	96	158.1	-57.6	0	0	0	0	104.9	F13 L17	F13-S15 PolarHBondContact O-N 2.7Å; S15-L17 PolarHBondContact O-N 2.84Å
16	I	65	Low	77.6	Confident	152 Å²	152	104.1 Å²	104.1	78%	0.779	58%	0.577	S	S	*	*			trans	-67.9	85.5	177.4	-62.7	166.6	0	0	0	104.9	P14 S18	P14-I16 PolarHBondContact O-N 3Å; I16-S18 VanDerWaalsContact C-N 3.35Å; I16-S18 PolarHBondContact O-N 2.94Å
17	L	63.2	Low	78.5	Confident	156 Å²	156	101.6 Å²	101.6	82%	0.817	57%	0.568	S	S	*	*			trans	-62.8	108.2	159.4	-64.2	177.8	0	0	0	103.9	S15 Q19	S15-L17 PolarHBondContact O-N 2.84Å; L17-Q19 PolarHBondContact O-N 3.43Å
18	S	73.6	Confident	79.3	Confident	81 Å²	81	100.4 Å²	100.4	57%	0.566	58%	0.581	S	S	*	*			trans	-58.9	114	174.6	-162.5	0	0	0	0	107.2	I16 V20 G44	I16-S18 VanDerWaalsContact C-N 3.35Å; I16-S18 PolarHBondContact O-N 2.94Å; S18-V20 PolarHBondContact O-N 3.32Å; S18-G44 WeakPolarHBondContact OG-CA 3.39Å
19	Q	89.6	Confident	80.3	Confident	145 Å²	145	103.6 Å²	103.6	68%	0.678	60%	0.598	S	S	*	*			trans	-68	126.2	179.9	-173.9	-179	9.3	0	0	108.3	L17 Q21	L17-Q19 PolarHBondContact O-N 3.43Å; Q19-Q21 PolarHBondContact O-N 3.5Å
20	V	93.2	Very high	81.5	Confident	87 Å²	87	102 Å²	102	53%	0.527	59%	0.585	S	S	.	*			trans	-65.9	128.2	171.5	174.1	0	0	0	0	108.7	S18 S43 F45	S18-V20 PolarHBondContact O-N 3.32Å; V20-S43 WeakPolarHBondContact CA-O 3.48Å; V20-F45 HydrophobicContact CG1-CD1 3.81Å; V20-F45 HydrophobicContact CG1-CE1 3.79Å; V20-F45 HydrophobicContact CG2-CD1 4.19Å
21	Q	95.8	Very high	82.7	Confident	104 Å²	104	98 Å²	98	49%	0.486	57%	0.571	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-130.6	140	173.3	-50.7	-178.1	-3.4	0	0	109.9	Q19 V42 S43	Q19-Q21 PolarHBondContact O-N 3.5Å; Q21-V42 WeakPolarHBondContact O-CA 3.4Å; Q21-S43 WeakPolarHBondContact CB-OG 3.04Å; Q21-S43 PolarHBondContact N-O 3.46Å; Q21-S43 PolarHBondContact O-N 3.47Å
22	L	97.8	Very high	83.8	Confident	51 Å²	51	97.1 Å²	97.1	27%	0.267	57%	0.568	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-124.6	126.4	175.8	-60.9	179.8	0	0	0	106.5	V42 F45 C113	L22-V42 HydrophobicContact CD2-CB 4.02Å; L22-V42 HydrophobicContact CD2-CG1 3.54Å; L22-F45 HydrophobicContact CD2-CE1 3.87Å; L22-F45 HydrophobicContact CD2-CZ 4.02Å; L22-C113 WeakPolarHBondContact CD1-O 3.49Å
23	K	97.9	Very high	85.2	Confident	150 Å²	150	97.9 Å²	97.9	65%	0.652	58%	0.577	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-130.1	106.1	-177.9	-176.2	179.4	179.8	179	0	110.5	C40 T41	K23-C40 WeakPolarHBondContact O-CA 3.49Å; K23-T41 PolarHBondContact N-O 3.48Å; K23-T41 PolarHBondContact O-N 3.15Å
24	E	98	Very high	86.7	Confident	67 Å²	67	95.2 Å²	95.2	31%	0.313	57%	0.567	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-78.5	143.4	175.5	-58.7	85.4	167.5	0	0	111.5	I38 T39 W54 Y112 C113	E24-I38 HydrophobicContact CB-CG2 4.43Å; E24-T39 CarbonylContact C-O 3.59Å; E24-T39 WeakPolarHBondContact CA-O 3.32Å; E24-W54 HydrophobicContact CG-CZ3 4.43Å; E24-Y112 WeakPolarHBondContact OE1-CA 3.33Å; E24-C113 PolarHBondContact OE1-N 3.45Å; E24-C113 PolarHBondContact OE1-SG 2.93Å; E24-C113 VanDerWaalsContact OE1-SG 3.36Å
25	S	97.7	Very high	88.5	Confident	57 Å²	57	93.5 Å²	93.5	40%	0.399	56%	0.557	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-150	141.4	174.7	55.8	0	0	0	0	108.8	I38 T39	S25-I38 CarbonylContact O-C 3.49Å; S25-I38 WeakPolarHBondContact O-CA 3.34Å; S25-I38 WeakPolarHBondContact O-CG2 3.33Å; S25-T39 PolarHBondContact N-O 2.95Å; S25-T39 PolarHBondContact O-N 3.21Å; S25-T39 PolarHBondContact OG-O 3.29Å
26	G	95.2	Very high	90	Very high	50 Å²	50	89.5 Å²	89.5	52%	0.515	53%	0.528	S	S	.	.			trans	-177.4	179.3	-176.2	0	0	0	0	0	111.1
27	P	89.9	Confident	91.5	Very high	64 Å²	64	85.1 Å²	85.1	42%	0.416	51%	0.51	S	S	.	.			trans	-65.3	140	170.3	31.3	-34.6	0	0	0	109	V30 L36 S37	P27-V30 HydrophobicContact CB-CG2 3.67Å; P27-V30 HydrophobicContact CG-CG2 3.45Å; P27-V30 VanDerWaalsContact CG-CG2 3.45Å; P27-L36 HydrophobicContact CG-CD1 3.62Å; P27-S37 WeakPolarHBondContact CD-O 3.3Å
28	G	89.8	Confident	93.1	Very high	80 Å²	80	78.4 Å²	78.4	83%	0.825	48%	0.475	S	S	*	.	S	Bend	trans	-67.4	-72.6	179.1	0	0	0	0	0	111.9
29	L	89.2	Confident	94.3	Very high	177 Å²	177	75.8 Å²	75.8	93%	0.927	46%	0.456	S	S	*	.			trans	-108.6	133.9	176	-64.8	173.9	0	0	0	109.6
30	V	92.2	Very high	94.8	Very high	43 Å²	43	68.9 Å²	68.9	26%	0.261	42%	0.423	S	S	.	.			trans	-125.9	136.5	177.4	-175.5	0	0	0	0	108	P27 Q34 L36 L103	P27-V30 HydrophobicContact CB-CG2 3.67Å; P27-V30 HydrophobicContact CG-CG2 3.45Å; P27-V30 VanDerWaalsContact CG-CG2 3.45Å; V30-Q34 HydrophobicContact CG1-CB 3.69Å; V30-L36 HydrophobicContact CG2-CD1 4.08Å; V30-L103 HydrophobicContact CB-CD1 3.79Å; V30-L103 HydrophobicContact CG1-CD1 3.45Å; V30-L103 VanDerWaalsContact CG1-CD1 3.45Å
31	A	90.6	Very high	95	Very high	47 Å²	47	67 Å²	67	39%	0.388	41%	0.412	S	S	.	.			trans	-71.7	153.9	-178.5	0	0	0	0	0	111.2	Q34	A31-Q34 HydrophobicContact CB-CG 4.22Å; A31-Q34 WeakPolarHBondContact O-CB 2.91Å; A31-Q34 PolarHBondContact O-N 2.85Å
32	P	91.4	Very high	95.1	Very high	85 Å²	85	62.3 Å²	62.3	55%	0.552	39%	0.391	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53	153	171.2	-25.3	34.6	0	0	0	112.2	Q34	P32-Q34 PolarHBondContact O-N 2.86Å
33	S	92.8	Very high	95	Very high	104 Å²	104	62.3 Å²	62.3	73%	0.727	40%	0.395	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.2	-6.4	-176.2	-51.6	0	0	0	0	116	L103	S33-L103 PolarHBondContact N-O 3.11Å
34	Q	94.8	Very high	94.9	Very high	107 Å²	107	56.7 Å²	56.7	50%	0.5	38%	0.379	S	S	.	.	S	Bend	trans	-82.8	179.8	171.6	-60.3	-175.6	-25.9	0	0	111.2	V30 A31 P32 S102 L103	V30-Q34 HydrophobicContact CG1-CB 3.69Å; A31-Q34 HydrophobicContact CB-CG 4.22Å; A31-Q34 WeakPolarHBondContact O-CB 2.91Å; A31-Q34 PolarHBondContact O-N 2.85Å; P32-Q34 PolarHBondContact O-N 2.86Å; Q34-S102 PolarHBondContact O-N 2.72Å; Q34-L103 VanDerWaalsContact O-CG 3.32Å; Q34-L103 WeakPolarHBondContact O-CG 3.22Å; Q34-L103 PolarHBondContact O-N 2.77Å
35	S	95.7	Very high	94.7	Very high	60 Å²	60	55.7 Å²	55.7	42%	0.42	37%	0.374	S	S	.	.			trans	-105.4	135.3	174.3	-62.9	0	0	0	0	110.9	M100 N101	S35-M100 CarbonylContact C-O 3.56Å; S35-M100 VanDerWaalsContact CA-O 3.24Å; S35-M100 WeakPolarHBondContact CA-O 3.05Å; S35-N101 PolarHBondContact OG-OD1 3.05Å
36	L	95.7	Very high	94.6	Very high	13 Å²	13	55.6 Å²	55.6	7%	0.068	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	139.5	169.5	174.4	61.9	0	0	0	109.5	P27 V30 I38 K99 M100 L103 Y111	P27-L36 HydrophobicContact CG-CD1 3.62Å; V30-L36 HydrophobicContact CG2-CD1 4.08Å; L36-I38 HydrophobicContact CD1-CD1 4.04Å; L36-I38 HydrophobicContact CD1-CG1 3.73Å; L36-I38 HydrophobicContact CD2-CD1 3.85Å; L36-I38 HydrophobicContact CD2-CG1 4.24Å; L36-I38 HydrophobicContact CG-CD1 4.06Å; L36-I38 HydrophobicContact CG-CG1 3.88Å; L36-K99 WeakPolarHBondContact O-CA 3.47Å; L36-M100 HydrophobicContact CB-CB 4.36Å; L36-M100 PolarHBondContact N-O 3.46Å; L36-M100 PolarHBondContact O-N 3.28Å; L36-L103 HydrophobicContact CB-CD1 3.87Å; L36-L103 HydrophobicContact CB-CD2 3.9Å; L36-L103 HydrophobicContact CB-CG 4.26Å; L36-L103 HydrophobicContact CD2-CD2 4.39Å; L36-Y111 HydrophobicContact CD2-CD2 4.22Å; L36-Y111 HydrophobicContact CD2-CE1 4.18Å; L36-Y111 HydrophobicContact CD2-CE2 3.81Å
37	S	97.2	Very high	94.7	Very high	59 Å²	59	53.5 Å²	53.5	41%	0.413	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	116.2	169.7	-165.3	0	0	0	0	109.4	P27 L98	P27-S37 WeakPolarHBondContact CD-O 3.3Å; S37-L98 CarbonylContact C-O 3.59Å; S37-L98 WeakPolarHBondContact CA-O 3.2Å
38	I	97.9	Very high	95.1	Very high	15 Å²	15	54.3 Å²	54.3	8%	0.077	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	142.4	178.1	-55.1	178.5	0	0	0	108.3	E24 S25 L36 W54 F97 L98 Y111	E24-I38 HydrophobicContact CB-CG2 4.43Å; S25-I38 CarbonylContact O-C 3.49Å; S25-I38 WeakPolarHBondContact O-CA 3.34Å; S25-I38 WeakPolarHBondContact O-CG2 3.33Å; L36-I38 HydrophobicContact CD1-CD1 4.04Å; L36-I38 HydrophobicContact CD1-CG1 3.73Å; L36-I38 HydrophobicContact CD2-CD1 3.85Å; L36-I38 HydrophobicContact CD2-CG1 4.24Å; L36-I38 HydrophobicContact CG-CD1 4.06Å; L36-I38 HydrophobicContact CG-CG1 3.88Å; I38-W54 HydrophobicContact CB-CH2 4.22Å; I38-W54 HydrophobicContact CB-CZ3 4.32Å; I38-W54 HydrophobicContact CG2-CH2 3.78Å; I38-W54 HydrophobicContact CG2-CZ3 3.82Å; I38-F97 WeakPolarHBondContact O-CA 3.42Å; I38-L98 PolarHBondContact N-O 3.05Å; I38-L98 PolarHBondContact O-N 3.5Å; I38-Y111 HydrophobicContact CD1-CD1 4.19Å; I38-Y111 HydrophobicContact CD1-CD2 4Å; I38-Y111 HydrophobicContact CD1-CG 3.62Å
39	T	98.6	Very high	95.3	Very high	26 Å²	26	54.5 Å²	54.5	16%	0.16	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	127.7	176	-54.5	0	0	0	0	109.1	E24 S25 Q95 V96 F97	E24-T39 CarbonylContact C-O 3.59Å; E24-T39 WeakPolarHBondContact CA-O 3.32Å; S25-T39 PolarHBondContact N-O 2.95Å; S25-T39 PolarHBondContact O-N 3.21Å; S25-T39 PolarHBondContact OG-O 3.29Å; T39-Q95 HydrophobicContact CG2-CB 4.09Å; T39-Q95 HydrophobicContact CG2-CG 3.82Å; T39-V96 CarbonylContact C-O 3.59Å; T39-V96 WeakPolarHBondContact CA-O 3.1Å; T39-F97 HydrophobicContact CG2-CD1 3.86Å; T39-F97 HydrophobicContact CG2-CE1 3.53Å; T39-F97 HydrophobicContact CG2-CZ 4.39Å; T39-F97 WeakPolarHBondContact OG1-CD1 3.45Å; T39-F97 WeakPolarHBondContact OG1-CE1 3.4Å
40	C	98.6	Very high	95.7	Very high	0 Å²	0	53.1 Å²	53.1	0%	0	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	117.8	167.1	178.8	0	0	0	0	108.8	K23 W54 Q95 V96 C113	K23-C40 WeakPolarHBondContact O-CA 3.49Å; C40-W54 HydrophobicContact CB-CH2 3.51Å; C40-W54 HydrophobicContact CB-CZ2 3.62Å; C40-W54 HydrophobicContact CB-CZ3 4.44Å; C40-Q95 CarbonylContact O-C 3.46Å; C40-Q95 VanDerWaalsContact O-CA 3.29Å; C40-Q95 WeakPolarHBondContact O-CA 3.3Å; C40-V96 HydrophobicContact CB-CB 4.4Å; C40-V96 PolarHBondContact N-O 2.91Å; C40-V96 PolarHBondContact O-N 3.33Å; C40-C113 HydrophobicContact CB-CB 3.46Å; C40-C113 VanDerWaalsContact CB-CB 3.46Å; C40-C113 WeakPolarHBondContact CB-SG 3.41Å; C40-C113 WeakPolarHBondContact SG-CB 3.48Å; C40-C113 CovalentContact SG-SG 2.02Å; C40-C113 PolarHBondContact SG-SG 2.61Å
41	T	98.5	Very high	95.9	Very high	48 Å²	48	52.1 Å²	52.1	29%	0.294	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	126.8	169.3	-55.6	0	0	0	0	108.5	K23 S94 Q95	K23-T41 PolarHBondContact N-O 3.48Å; K23-T41 PolarHBondContact O-N 3.15Å; T41-S94 WeakPolarHBondContact CA-O 3.37Å; T41-Q95 HydrophobicContact CG2-CG 4.44Å
42	V	97.9	Very high	96.3	Very high	5 Å²	5	50 Å²	50	3%	0.03	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	147.1	-177.2	-49.1	0	0	0	0	111.4	Q21 L22 F45 L47 V52 S94	Q21-V42 WeakPolarHBondContact O-CA 3.4Å; L22-V42 HydrophobicContact CD2-CB 4.02Å; L22-V42 HydrophobicContact CD2-CG1 3.54Å; V42-F45 HydrophobicContact CB-CE1 3.71Å; V42-F45 HydrophobicContact CB-CE2 4.37Å; V42-F45 HydrophobicContact CB-CZ 3.58Å; V42-F45 HydrophobicContact CG1-CE1 4.29Å; V42-F45 HydrophobicContact CG1-CZ 3.8Å; V42-F45 HydrophobicContact CG2-CE1 4.2Å; V42-F45 HydrophobicContact CG2-CE2 4.13Å; V42-F45 HydrophobicContact CG2-CZ 3.83Å; V42-L47 HydrophobicContact CG1-CD2 4.29Å; V42-L47 HydrophobicContact CG2-CD1 4.01Å; V42-L47 HydrophobicContact CG2-CD2 3.64Å; V42-L47 HydrophobicContact CG2-CG 3.61Å; V42-V52 HydrophobicContact CG1-CG2 4.18Å; V42-S94 PolarHBondContact N-O 3.06Å; V42-S94 VanDerWaalsContact O-CB 3.29Å; V42-S94 WeakPolarHBondContact O-CB 3.32Å
43	S	96	Very high	96.6	Very high	52 Å²	52	48.3 Å²	48.3	36%	0.364	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.7	162	169.6	65.3	0	0	0	0	111.1	V20 Q21 F45	V20-S43 WeakPolarHBondContact CA-O 3.48Å; Q21-S43 WeakPolarHBondContact CB-OG 3.04Å; Q21-S43 PolarHBondContact N-O 3.46Å; Q21-S43 PolarHBondContact O-N 3.47Å; S43-F45 VanDerWaalsContact C-N 3.32Å
44	G	94.6	Very high	96.9	Very high	31 Å²	31	43.3 Å²	43.3	32%	0.32	26%	0.259	S	S	.	.	S	Bend	trans	88.8	-6.6	-177.1	0	0	0	0	0	114.7	S18	S18-G44 WeakPolarHBondContact OG-CA 3.39Å
45	F	94.1	Very high	97.1	Very high	46 Å²	46	39.4 Å²	39.4	20%	0.202	24%	0.242	C	C	.	.	S	Bend	trans	-153	168.9	175.1	68.3	-84.3	0	0	0	111.9	V20 L22 V42 S43 L47 Y50 V52	V20-F45 HydrophobicContact CG1-CD1 3.81Å; V20-F45 HydrophobicContact CG1-CE1 3.79Å; V20-F45 HydrophobicContact CG2-CD1 4.19Å; L22-F45 HydrophobicContact CD2-CE1 3.87Å; L22-F45 HydrophobicContact CD2-CZ 4.02Å; V42-F45 HydrophobicContact CB-CE1 3.71Å; V42-F45 HydrophobicContact CB-CE2 4.37Å; V42-F45 HydrophobicContact CB-CZ 3.58Å; V42-F45 HydrophobicContact CG1-CE1 4.29Å; V42-F45 HydrophobicContact CG1-CZ 3.8Å; V42-F45 HydrophobicContact CG2-CE1 4.2Å; V42-F45 HydrophobicContact CG2-CE2 4.13Å; V42-F45 HydrophobicContact CG2-CZ 3.83Å; S43-F45 VanDerWaalsContact C-N 3.32Å; F45-L47 HydrophobicContact CE2-CD2 4Å; F45-Y50 HydrophobicContact CB-CD2 3.96Å; F45-Y50 HydrophobicContact CB-CE2 4.28Å; F45-Y50 AromaticContact CD2-CD2 3.95Å; F45-Y50 HydrophobicContact CD2-CD2 3.95Å; F45-Y50 HydrophobicContact CD2-CG 4.08Å; F45-Y50 HydrophobicContact CG-CD2 4.38Å; F45-V52 HydrophobicContact CE2-CG2 4.14Å; F45-V52 HydrophobicContact CZ-CG2 4.03Å
46	S	95.7	Very high	97.1	Very high	55 Å²	55	36.9 Å²	36.9	39%	0.385	22%	0.224	S	C	.	.			trans	-98.9	129.6	176.6	-177.5	0	0	0	0	112.3	T48 S49 Y50	S46-T48 PolarHBondContact O-N 3.18Å; S46-T48 VanDerWaalsContact O-N 3.17Å; S46-T48 PolarHBondContact OG-N 2.87Å; S46-T48 PolarHBondContact OG-OG1 2.94Å; S46-S49 PolarHBondContact O-N 2.79Å; S46-Y50 PolarHBondContact O-N 2.76Å; S46-Y50 VanDerWaalsContact O-N 3.09Å
47	L	97.7	Very high	97.2	Very high	7 Å²	7	40.1 Å²	40.1	4%	0.037	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.2	-10.8	172.1	-71.2	179.6	0	0	0	114	V42 F45 V52 G71 K89 N91 V96	V42-L47 HydrophobicContact CG1-CD2 4.29Å; V42-L47 HydrophobicContact CG2-CD1 4.01Å; V42-L47 HydrophobicContact CG2-CD2 3.64Å; V42-L47 HydrophobicContact CG2-CG 3.61Å; F45-L47 HydrophobicContact CE2-CD2 4Å; L47-V52 HydrophobicContact CD2-CG2 3.54Å; L47-G71 WeakPolarHBondContact O-CA 3.45Å; L47-K89 PolarHBondContact O-NZ 2.86Å; L47-N91 WeakPolarHBondContact CB-OD1 3.32Å; L47-V96 HydrophobicContact CD1-CG2 3.87Å; L47-V96 HydrophobicContact CD2-CG2 3.6Å; L47-V96 HydrophobicContact CG-CG2 4.42Å
48	T	97.2	Very high	97.2	Very high	80 Å²	80	38 Å²	38	49%	0.491	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.9	-23.5	170.8	58.3	0	0	0	0	112.3	S46 G71 N91	S46-T48 PolarHBondContact O-N 3.18Å; S46-T48 VanDerWaalsContact O-N 3.17Å; S46-T48 PolarHBondContact OG-N 2.87Å; S46-T48 PolarHBondContact OG-OG1 2.94Å; T48-G71 CarbonylContact O-C 3.52Å; T48-G71 WeakPolarHBondContact O-CA 2.96Å; T48-N91 WeakPolarHBondContact CG2-ND2 3.45Å
49	S	95.6	Very high	97	Very high	85 Å²	85	42.4 Å²	42.4	59%	0.594	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105	-26.8	-174	-56.9	0	0	0	0	113.1	S46	S46-S49 PolarHBondContact O-N 2.79Å
50	Y	96.3	Very high	96.9	Very high	147 Å²	147	45.6 Å²	45.6	58%	0.576	29%	0.291	S	S	*	.			trans	-123.2	150.8	-177.2	-64	-89.2	0	0	0	111.8	F45 S46 G71	F45-Y50 HydrophobicContact CB-CD2 3.96Å; F45-Y50 HydrophobicContact CB-CE2 4.28Å; F45-Y50 AromaticContact CD2-CD2 3.95Å; F45-Y50 HydrophobicContact CD2-CD2 3.95Å; F45-Y50 HydrophobicContact CD2-CG 4.08Å; F45-Y50 HydrophobicContact CG-CD2 4.38Å; S46-Y50 PolarHBondContact O-N 2.76Å; S46-Y50 VanDerWaalsContact O-N 3.09Å; Y50-G71 WeakPolarHBondContact O-CA 2.98Å; Y50-G71 PolarHBondContact O-N 3.05Å
51	G	97.7	Very high	96.8	Very high	23 Å²	23	52.3 Å²	52.3	24%	0.237	32%	0.321	C	S	.	.			trans	-83.9	164.1	168	0	0	0	0	0	111.6	I69	G51-I69 CarbonylContact C-O 3.6Å; G51-I69 WeakPolarHBondContact CA-O 3.37Å
52	V	98.7	Very high	96.7	Very high	1 Å²	1	52.8 Å²	52.8	1%	0.006	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	123.2	170.4	177.6	0	0	0	0	108.1	V42 F45 L47 V68 I69 V96 C113 A114	V42-V52 HydrophobicContact CG1-CG2 4.18Å; F45-V52 HydrophobicContact CE2-CG2 4.14Å; F45-V52 HydrophobicContact CZ-CG2 4.03Å; L47-V52 HydrophobicContact CD2-CG2 3.54Å; V52-V68 WeakPolarHBondContact O-CA 3.32Å; V52-I69 PolarHBondContact N-O 3.41Å; V52-I69 PolarHBondContact O-N 3.49Å; V52-I69 VanDerWaalsContact O-N 3.14Å; V52-V96 HydrophobicContact CB-CB 4.49Å; V52-V96 HydrophobicContact CB-CG1 4.37Å; V52-V96 HydrophobicContact CB-CG2 3.95Å; V52-V96 HydrophobicContact CG1-CB 4.4Å; V52-V96 HydrophobicContact CG1-CG1 4.39Å; V52-V96 HydrophobicContact CG1-CG2 4.29Å; V52-V96 HydrophobicContact CG2-CG2 3.85Å; V52-C113 HydrophobicContact CG1-CB 3.74Å; V52-A114 CarbonylContact C-O 3.53Å; V52-A114 WeakPolarHBondContact CA-O 3.32Å
53	D	98.6	Very high	96.6	Very high	50 Å²	50	58.3 Å²	58.3	27%	0.267	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	152.9	176.7	-77.8	-85.6	0	0	0	110.1	W65 G67 V68 C113 A114	D53-W65 PolarHBondContact OD1-NE1 2.78Å; D53-G67 CarbonylContact C-O 3.6Å; D53-V68 WeakPolarHBondContact OD1-CB 3.5Å; D53-C113 CarbonylContact O-C 3.55Å; D53-C113 VanDerWaalsContact O-CA 3.24Å; D53-C113 WeakPolarHBondContact O-CA 3.45Å; D53-A114 HydrophobicContact CB-CB 4.18Å; D53-A114 PolarHBondContact N-O 3.31Å; D53-A114 PolarHBondContact O-N 3Å
54	W	98.6	Very high	96.7	Very high	0 Å²	0	58.8 Å²	58.8	0%	0	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	129.8	168.3	-74	97.7	0	0	0	109.3	E24 I38 C40 L66 G67 V96 L98 Y112 C113	E24-W54 HydrophobicContact CG-CZ3 4.43Å; I38-W54 HydrophobicContact CB-CH2 4.22Å; I38-W54 HydrophobicContact CB-CZ3 4.32Å; I38-W54 HydrophobicContact CG2-CH2 3.78Å; I38-W54 HydrophobicContact CG2-CZ3 3.82Å; C40-W54 HydrophobicContact CB-CH2 3.51Å; C40-W54 HydrophobicContact CB-CZ2 3.62Å; C40-W54 HydrophobicContact CB-CZ3 4.44Å; W54-L66 HydrophobicContact CB-CB 4.1Å; W54-L66 HydrophobicContact CB-CD1 4.32Å; W54-L66 WeakPolarHBondContact O-CB 3.24Å; W54-L66 PolarHBondContact O-N 2.89Å; W54-G67 PolarHBondContact N-O 2.93Å; W54-V96 HydrophobicContact CZ2-CG1 4.27Å; W54-L98 HydrophobicContact CB-CD1 4.25Å; W54-L98 HydrophobicContact CB-CD2 4.2Å; W54-L98 HydrophobicContact CD2-CB 3.66Å; W54-L98 HydrophobicContact CD2-CD1 4.46Å; W54-L98 HydrophobicContact CD2-CD2 3.89Å; W54-L98 HydrophobicContact CD2-CG 4.21Å; W54-L98 HydrophobicContact CE3-CB 4.07Å; W54-L98 HydrophobicContact CE3-CD2 3.83Å; W54-L98 HydrophobicContact CG-CB 4.07Å; W54-L98 HydrophobicContact CG-CD1 4.01Å; W54-L98 HydrophobicContact CG-CD2 4.06Å; W54-L98 HydrophobicContact CG-CG 4.28Å; W54-L98 HydrophobicContact CH2-CB 4.19Å; W54-L98 HydrophobicContact CZ2-CB 3.8Å; W54-L98 HydrophobicContact CZ3-CB 4.33Å; W54-L98 HydrophobicContact CZ3-CD2 4.48Å; W54-Y112 WeakPolarHBondContact CA-O 3.43Å; W54-C113 HydrophobicContact CD2-CB 4.37Å; W54-C113 HydrophobicContact CE3-CB 4.14Å; W54-C113 HydrophobicContact CH2-CB 4.14Å; W54-C113 HydrophobicContact CZ2-CB 4.34Å; W54-C113 HydrophobicContact CZ3-CB 4.01Å
55	V	98.3	Very high	96.9	Very high	24 Å²	24	61.9 Å²	61.9	15%	0.145	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	152.2	176.3	-59	0	0	0	0	109.4	E64 Y112	V55-E64 CarbonylContact C-O 3.53Å; V55-E64 WeakPolarHBondContact CA-O 3.4Å; V55-Y112 HydrophobicContact CG2-CD2 4.34Å; V55-Y112 PolarHBondContact N-O 2.97Å; V55-Y112 PolarHBondContact O-N 3.02Å
56	R	96.8	Very high	97.1	Very high	8 Å²	8	59.7 Å²	59.7	3%	0.03	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	156.6	170.4	71	176	179	-172.6	1.6	111.9	L63 E64 L66 D107 A109 M110 Y111	R56-L63 WeakPolarHBondContact O-CA 3.41Å; R56-E64 HydrophobicContact CG-CB 4.04Å; R56-E64 IonicContact CZ-OE2 3.46Å; R56-E64 PolarHBondContact N-O 2.85Å; R56-E64 IonicContact NE-OE2 2.66Å; R56-E64 PolarHBondContact NE-OE2 2.78Å; R56-E64 IonicContact NH2-OE1 3.4Å; R56-E64 PolarHBondContact NH2-OE1 3.15Å; R56-E64 IonicContact NH2-OE2 3.15Å; R56-E64 PolarHBondContact NH2-OE2 3.31Å; R56-E64 PolarHBondContact O-N 2.02Å; R56-L66 HydrophobicContact CB-CD1 4.17Å; R56-L66 HydrophobicContact CG-CD1 4.39Å; R56-L66 HydrophobicContact CG-CD2 3.89Å; R56-L66 HydrophobicContact CG-CG 4.32Å; R56-D107 IonicContact CZ-OD1 3.72Å; R56-D107 IonicContact NH1-OD1 2.72Å; R56-D107 PolarHBondContact NH1-OD1 3.09Å; R56-D107 IonicContact NH2-OD1 2.84Å; R56-A109 HydrophobicContact CB-CB 3.93Å; R56-A109 HydrophobicContact CG-CB 4.24Å; R56-M110 CarbonylContact C-O 3.44Å; R56-M110 WeakPolarHBondContact CA-O 3.45Å; R56-M110 WeakPolarHBondContact CB-O 3.22Å; R56-Y111 HydrophobicContact CB-CD1 3.91Å; R56-Y111 HydrophobicContact CB-CE1 4.01Å; R56-Y111 HydrophobicContact CB-CG 4.24Å
57	Q	97.3	Very high	97.2	Very high	80 Å²	80	57.1 Å²	57.1	37%	0.374	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	106.8	175.5	-163.8	177.5	17.3	0	0	109.9	L63 A109 M110 Y112	Q57-L63 HydrophobicContact CB-CD2 3.92Å; Q57-L63 HydrophobicContact CG-CD2 4.13Å; Q57-A109 WeakPolarHBondContact O-CA 3.4Å; Q57-A109 WeakPolarHBondContact O-CB 3.4Å; Q57-M110 PolarHBondContact N-O 3.16Å; Q57-M110 PolarHBondContact O-N 2.88Å; Q57-Y112 HydrophobicContact CB-CE2 4.04Å
58	S	95.9	Very high	97.3	Very high	15 Å²	15	56.9 Å²	56.9	11%	0.105	33%	0.333	C	S	.	.			trans	-73.4	151.2	171.2	-52.2	0	0	0	0	110.5	G60 K61	S58-G60 PolarHBondContact O-N 3.36Å; S58-K61 PolarHBondContact O-N 3.47Å
59	P	95.1	Very high	97.3	Very high	108 Å²	108	53.5 Å²	53.5	70%	0.701	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.9	126.4	176.2	-26.2	34.6	0	0	0	112.2	K61 T108	P59-K61 PolarHBondContact O-N 3.48Å; P59-T108 WeakPolarHBondContact CD-O 3.47Å
60	G	96.5	Very high	97.5	Very high	93 Å²	93	54.7 Å²	54.7	96%	0.959	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	71.6	7.7	179.8	0	0	0	0	0	115.6	S58	S58-G60 PolarHBondContact O-N 3.36Å
61	K	95.8	Very high	97.6	Very high	141 Å²	141	48.3 Å²	48.3	61%	0.613	28%	0.282	S	S	*	.	S	Bend	trans	-114.5	165.6	176.7	-59.9	-168.8	-177.1	174.2	0	111.8	S58 P59	S58-K61 PolarHBondContact O-N 3.47Å; P59-K61 PolarHBondContact O-N 3.48Å
62	G	95.9	Very high	97.5	Very high	57 Å²	57	53.5 Å²	53.5	59%	0.588	31%	0.309	S	S	*	.			trans	-71.6	179.9	171.4	0	0	0	0	0	113
63	L	97.4	Very high	97.5	Very high	121 Å²	121	55.2 Å²	55.2	63%	0.634	33%	0.327	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-70.3	135.2	172.5	-62.6	176.3	0	0	0	110.3	R56 Q57	R56-L63 WeakPolarHBondContact O-CA 3.41Å; Q57-L63 HydrophobicContact CB-CD2 3.92Å; Q57-L63 HydrophobicContact CG-CD2 4.13Å
64	E	97.6	Very high	97.4	Very high	63 Å²	63	55.6 Å²	55.6	29%	0.294	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	123.6	172.1	-176.9	-179.1	-171.7	0	0	109.2	V55 R56	V55-E64 CarbonylContact C-O 3.53Å; V55-E64 WeakPolarHBondContact CA-O 3.4Å; R56-E64 HydrophobicContact CG-CB 4.04Å; R56-E64 IonicContact CZ-OE2 3.46Å; R56-E64 PolarHBondContact N-O 2.85Å; R56-E64 IonicContact NE-OE2 2.66Å; R56-E64 PolarHBondContact NE-OE2 2.78Å; R56-E64 IonicContact NH2-OE1 3.4Å; R56-E64 PolarHBondContact NH2-OE1 3.15Å; R56-E64 IonicContact NH2-OE2 3.15Å; R56-E64 PolarHBondContact NH2-OE2 3.31Å; R56-E64 PolarHBondContact O-N 2.02Å
65	W	98.2	Very high	97.4	Very high	96 Å²	96	57.9 Å²	57.9	36%	0.364	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	135.5	175.7	-178.8	80	0	0	0	111.1	D53 G67 V68 N76 N78	D53-W65 PolarHBondContact OD1-NE1 2.78Å; W65-G67 VanDerWaalsContact CZ2-CA 3.41Å; W65-V68 HydrophobicContact CZ2-CB 4.23Å; W65-V68 HydrophobicContact CZ2-CG1 4.02Å; W65-N76 HydrophobicContact CH2-CB 4.02Å; W65-N76 HydrophobicContact CZ2-CB 4.45Å; W65-N78 HydrophobicContact CE3-CB 3.93Å; W65-N78 HydrophobicContact CZ3-CB 4.13Å; W65-N78 VanDerWaalsContact O-CB 3.3Å; W65-N78 WeakPolarHBondContact O-CB 3.24Å; W65-N78 PolarHBondContact O-ND2 3.45Å
66	L	98.2	Very high	97.4	Very high	0 Å²	0	60.7 Å²	60.7	0%	0	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	-42.7	-177.5	-59.3	-177.9	0	0	0	112.2	W54 R56 N78 L81 L85 L98 M100 Y111	W54-L66 HydrophobicContact CB-CB 4.1Å; W54-L66 HydrophobicContact CB-CD1 4.32Å; W54-L66 WeakPolarHBondContact O-CB 3.24Å; W54-L66 PolarHBondContact O-N 2.89Å; R56-L66 HydrophobicContact CB-CD1 4.17Å; R56-L66 HydrophobicContact CG-CD1 4.39Å; R56-L66 HydrophobicContact CG-CD2 3.89Å; R56-L66 HydrophobicContact CG-CG 4.32Å; L66-N78 WeakPolarHBondContact O-CB 3.35Å; L66-N78 PolarHBondContact O-N 3.06Å; L66-L81 HydrophobicContact CD2-CD1 3.32Å; L66-L85 HydrophobicContact CB-CD1 3.95Å; L66-L85 VanDerWaalsContact O-CD1 3.32Å; L66-L85 WeakPolarHBondContact O-CD1 3.48Å; L66-L98 HydrophobicContact CD1-CD2 3.78Å; L66-M100 HydrophobicContact CD1-CE 4.39Å; L66-M100 HydrophobicContact CD2-CE 4.38Å; L66-Y111 HydrophobicContact CD1-CD1 3.64Å; L66-Y111 HydrophobicContact CD1-CE1 3.63Å
67	G	98.5	Very high	97.5	Very high	0 Å²	0	62.8 Å²	62.8	0%	0	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	165.9	173.8	-175.4	0	0	0	0	0	112.3	D53 W54 W65 N76	D53-G67 CarbonylContact C-O 3.6Å; W54-G67 PolarHBondContact N-O 2.93Å; W65-G67 VanDerWaalsContact CZ2-CA 3.41Å; G67-N76 CarbonylContact C-O 3.39Å; G67-N76 WeakPolarHBondContact CA-O 3.47Å
68	V	98.7	Very high	97.6	Very high	2 Å²	2	60.4 Å²	60.4	1%	0.012	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	146.2	-179.7	64.9	0	0	0	0	109.5	V52 D53 W65 W70 T75 N76	V52-V68 WeakPolarHBondContact O-CA 3.32Å; D53-V68 WeakPolarHBondContact OD1-CB 3.5Å; W65-V68 HydrophobicContact CZ2-CB 4.23Å; W65-V68 HydrophobicContact CZ2-CG1 4.02Å; V68-W70 HydrophobicContact CG1-CD2 4.4Å; V68-W70 HydrophobicContact CG1-CZ2 3.8Å; V68-W70 HydrophobicContact CG2-CD2 4.31Å; V68-W70 HydrophobicContact CG2-CE3 4.45Å; V68-W70 HydrophobicContact CG2-CZ2 4.43Å; V68-T75 CarbonylContact O-C 3.59Å; V68-T75 WeakPolarHBondContact O-CA 3.35Å; V68-N76 HydrophobicContact CG1-CB 3.87Å; V68-N76 PolarHBondContact N-O 3Å; V68-N76 PolarHBondContact O-N 2.87Å
69	I	98.8	Very high	97.6	Very high	9 Å²	9	65 Å²	65	5%	0.046	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	122.6	160.9	-173.2	163	0	0	0	109.1	G51 V52 T75 I87 K89 V96	G51-I69 CarbonylContact C-O 3.6Å; G51-I69 WeakPolarHBondContact CA-O 3.37Å; V52-I69 PolarHBondContact N-O 3.41Å; V52-I69 PolarHBondContact O-N 3.49Å; V52-I69 VanDerWaalsContact O-N 3.14Å; I69-T75 HydrophobicContact CB-CG2 4.04Å; I69-T75 HydrophobicContact CD1-CG2 4.03Å; I69-T75 HydrophobicContact CG1-CG2 3.88Å; I69-I87 HydrophobicContact CB-CG2 3.69Å; I69-I87 HydrophobicContact CG2-CG2 3.63Å; I69-K89 HydrophobicContact CD1-CB 4.1Å; I69-K89 HydrophobicContact CD1-CD 3.88Å; I69-K89 HydrophobicContact CD1-CG 3.74Å; I69-K89 HydrophobicContact CG1-CD 4.09Å; I69-K89 HydrophobicContact CG1-CG 4.49Å; I69-K89 HydrophobicContact CG2-CD 4.47Å; I69-V96 HydrophobicContact CG2-CG1 3.65Å; I69-V96 HydrophobicContact CG2-CG2 4.48Å
70	W	98.4	Very high	97.6	Very high	111 Å²	111	63.4 Å²	63.4	42%	0.42	39%	0.388	S	S	.	.			trans	-78.7	164.1	-177.4	-62.8	104.6	0	0	0	112	V68 V72 G73 S74 N76 K89	V68-W70 HydrophobicContact CG1-CD2 4.4Å; V68-W70 HydrophobicContact CG1-CZ2 3.8Å; V68-W70 HydrophobicContact CG2-CD2 4.31Å; V68-W70 HydrophobicContact CG2-CE3 4.45Å; V68-W70 HydrophobicContact CG2-CZ2 4.43Å; W70-V72 PolarHBondContact O-N 3.4Å; W70-V72 VanDerWaalsContact O-N 3.16Å; W70-G73 WeakPolarHBondContact O-CA 3.37Å; W70-G73 PolarHBondContact O-N 2.95Å; W70-S74 VanDerWaalsContact CD1-O 3.31Å; W70-S74 VanDerWaalsContact CD1-OG 3.26Å; W70-S74 PolarHBondContact N-O 3.34Å; W70-N76 PolarHBondContact NE1-ND2 2.8Å; W70-K89 PolarHBondContact O-NZ 2.86Å
71	G	97.7	Very high	97.6	Very high	13 Å²	13	59.4 Å²	59.4	13%	0.134	35%	0.345	C	S	.	.	T	Hydrogen-bonded Turn	trans	-52.1	-37.7	174.1	0	0	0	0	0	113.1	L47 T48 Y50 G73 K89	L47-G71 WeakPolarHBondContact O-CA 3.45Å; T48-G71 CarbonylContact O-C 3.52Å; T48-G71 WeakPolarHBondContact O-CA 2.96Å; Y50-G71 WeakPolarHBondContact O-CA 2.98Å; Y50-G71 PolarHBondContact O-N 3.05Å; G71-G73 VanDerWaalsContact C-N 3.25Å; G71-G73 PolarHBondContact O-N 2.89Å; G71-K89 VanDerWaalsContact C-NZ 3.29Å; G71-K89 PolarHBondContact O-NZ 2.8Å
72	V	97	Very high	97.6	Very high	131 Å²	131	59 Å²	59	79%	0.794	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.6	-9.7	178.8	-35.4	0	0	0	0	113.9	W70 S74	W70-V72 PolarHBondContact O-N 3.4Å; W70-V72 VanDerWaalsContact O-N 3.16Å; V72-S74 WeakPolarHBondContact CG2-OG 3.5Å
73	G	97.5	Very high	97.7	Very high	37 Å²	37	61.7 Å²	61.7	38%	0.381	35%	0.353	S	S	.	.	S	Bend	trans	95.5	-5.4	179	0	0	0	0	0	115.6	W70 G71	W70-G73 WeakPolarHBondContact O-CA 3.37Å; W70-G73 PolarHBondContact O-N 2.95Å; G71-G73 VanDerWaalsContact C-N 3.25Å; G71-G73 PolarHBondContact O-N 2.89Å
74	S	98.1	Very high	97.6	Very high	59 Å²	59	57.1 Å²	57.1	41%	0.413	33%	0.327	S	S	.	.			trans	-69.1	152.3	171.8	56.5	0	0	0	0	111.4	W70 V72	W70-S74 VanDerWaalsContact CD1-O 3.31Å; W70-S74 VanDerWaalsContact CD1-OG 3.26Å; W70-S74 PolarHBondContact N-O 3.34Å; V72-S74 WeakPolarHBondContact CG2-OG 3.5Å
75	T	98.6	Very high	97.6	Very high	47 Å²	47	54.8 Å²	54.8	29%	0.288	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	137.9	-177.6	56.5	0	0	0	0	111.6	V68 I69 Y77	V68-T75 CarbonylContact O-C 3.59Å; V68-T75 WeakPolarHBondContact O-CA 3.35Å; I69-T75 HydrophobicContact CB-CG2 4.04Å; I69-T75 HydrophobicContact CD1-CG2 4.03Å; I69-T75 HydrophobicContact CG1-CG2 3.88Å; T75-Y77 VanDerWaalsContact OG1-CE2 3.24Å; T75-Y77 WeakPolarHBondContact OG1-CE2 3.39Å; T75-Y77 PolarHBondContact OG1-OH 2.89Å
76	N	98.4	Very high	97.6	Very high	84 Å²	84	52.8 Å²	52.8	45%	0.449	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	150.9	164.6	-61.7	-49.3	0	0	0	109.7	W65 G67 V68 W70	W65-N76 HydrophobicContact CH2-CB 4.02Å; W65-N76 HydrophobicContact CZ2-CB 4.45Å; G67-N76 CarbonylContact C-O 3.39Å; G67-N76 WeakPolarHBondContact CA-O 3.47Å; V68-N76 HydrophobicContact CG1-CB 3.87Å; V68-N76 PolarHBondContact N-O 3Å; V68-N76 PolarHBondContact O-N 2.87Å; W70-N76 PolarHBondContact NE1-ND2 2.8Å
77	Y	98.5	Very high	97.6	Very high	52 Å²	52	53.2 Å²	53.2	20%	0.204	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	151.9	-176.9	-60.3	-84.1	0	0	0	110.4	T75 S79 K82 L85 I87	T75-Y77 VanDerWaalsContact OG1-CE2 3.24Å; T75-Y77 WeakPolarHBondContact OG1-CE2 3.39Å; T75-Y77 PolarHBondContact OG1-OH 2.89Å; Y77-S79 PolarHBondContact O-N 3.1Å; Y77-K82 HydrophobicContact CD2-CG 4.24Å; Y77-K82 HydrophobicContact CG-CG 4.26Å; Y77-L85 HydrophobicContact CD1-CB 3.89Å; Y77-L85 HydrophobicContact CD1-CD1 4.46Å; Y77-L85 HydrophobicContact CE1-CB 4.16Å; Y77-I87 HydrophobicContact CD1-CD1 4.08Å; Y77-I87 HydrophobicContact CE1-CB 4.24Å; Y77-I87 HydrophobicContact CE1-CD1 3.77Å; Y77-I87 HydrophobicContact CE1-CG1 3.84Å; Y77-I87 PolarHBondContact OH-N 2.82Å
78	N	97.7	Very high	97.6	Very high	30 Å²	30	56 Å²	56	16%	0.16	34%	0.338	C	S	.	.			trans	-60.6	124.8	163.4	-178	-31.6	0	0	0	108.8	W65 L66 A80 L81 K82	W65-N78 HydrophobicContact CE3-CB 3.93Å; W65-N78 HydrophobicContact CZ3-CB 4.13Å; W65-N78 VanDerWaalsContact O-CB 3.3Å; W65-N78 WeakPolarHBondContact O-CB 3.24Å; W65-N78 PolarHBondContact O-ND2 3.45Å; L66-N78 WeakPolarHBondContact O-CB 3.35Å; L66-N78 PolarHBondContact O-N 3.06Å; N78-A80 PolarHBondContact O-N 2.73Å; N78-A80 WeakPolarHBondContact OD1-CB 3.32Å; N78-A80 PolarHBondContact OD1-N 2.81Å; N78-L81 PolarHBondContact O-N 2.75Å; N78-K82 PolarHBondContact O-N 3.05Å
79	S	97.3	Very high	97.6	Very high	112 Å²	112	57.9 Å²	57.9	78%	0.783	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.1	-32.8	-175	52.4	0	0	0	0	113	Y77 L81	Y77-S79 PolarHBondContact O-N 3.1Å; S79-L81 VanDerWaalsContact C-N 3.32Å; S79-L81 PolarHBondContact O-N 2.85Å
80	A	95.8	Very high	97.6	Very high	74 Å²	74	59.3 Å²	59.3	61%	0.612	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.6	-26.4	179.2	0	0	0	0	0	113.3	N78	N78-A80 PolarHBondContact O-N 2.73Å; N78-A80 WeakPolarHBondContact OD1-CB 3.32Å; N78-A80 PolarHBondContact OD1-N 2.81Å
81	L	95.6	Very high	97.5	Very high	9 Å²	9	57.6 Å²	57.6	5%	0.047	35%	0.353	C	S	.	.	T	Hydrogen-bonded Turn	trans	-113.2	-7.8	-172.7	-59.3	174.4	0	0	0	113.2	L66 N78 S79 S83 R84 L85	L66-L81 HydrophobicContact CD2-CD1 3.32Å; N78-L81 PolarHBondContact O-N 2.75Å; S79-L81 VanDerWaalsContact C-N 3.32Å; S79-L81 PolarHBondContact O-N 2.85Å; L81-S83 PolarHBondContact O-N 2.85Å; L81-R84 PolarHBondContact O-N 3.46Å; L81-L85 HydrophobicContact CB-CD1 3.55Å; L81-L85 HydrophobicContact CB-CG 4.01Å; L81-L85 HydrophobicContact CD1-CD1 4.43Å; L81-L85 WeakPolarHBondContact O-CG 3.33Å; L81-L85 PolarHBondContact O-N 2.89Å; L81-L85 VanDerWaalsContact O-N 3.13Å
82	K	96.4	Very high	97.5	Very high	133 Å²	133	61.9 Å²	61.9	58%	0.578	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.4	-34.7	-174.5	-177.2	175.8	179.3	179.5	0	114.2	Y77 N78 R84	Y77-K82 HydrophobicContact CD2-CG 4.24Å; Y77-K82 HydrophobicContact CG-CG 4.26Å; N78-K82 PolarHBondContact O-N 3.05Å; K82-R84 VanDerWaalsContact C-N 3.26Å; K82-R84 PolarHBondContact O-N 3Å
83	S	96.9	Very high	97.5	Very high	113 Å²	113	61.5 Å²	61.5	79%	0.79	37%	0.369	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.9	-20	-179.6	57.3	0	0	0	0	113.8	L81	L81-S83 PolarHBondContact O-N 2.85Å
84	R	96.4	Very high	97.6	Very high	25 Å²	25	62.1 Å²	62.1	9%	0.094	37%	0.367	C	S	.	.	T	Hydrogen-bonded Turn	trans	-110	-16.9	-175.8	-58.8	-167	-62.2	119.4	-5.2	113.1	L81 K82 M100 N101 S102 D107	L81-R84 PolarHBondContact O-N 3.46Å; K82-R84 VanDerWaalsContact C-N 3.26Å; K82-R84 PolarHBondContact O-N 3Å; R84-M100 CarbonylContact O-C 3.56Å; R84-M100 WeakPolarHBondContact O-CA 3.49Å; R84-N101 WeakPolarHBondContact CB-O 3.06Å; R84-N101 PolarHBondContact O-N 3.3Å; R84-S102 PolarHBondContact NH1-O 3.2Å; R84-S102 VanDerWaalsContact NH1-O 3.15Å; R84-D107 IonicContact CZ-OD1 3.16Å; R84-D107 IonicContact CZ-OD2 3.76Å; R84-D107 IonicContact NH1-OD1 2.7Å; R84-D107 IonicContact NH1-OD2 3.67Å; R84-D107 PolarHBondContact NH1-OD2 3.17Å; R84-D107 IonicContact NH2-OD1 2.77Å; R84-D107 PolarHBondContact NH2-OD1 3Å; R84-D107 IonicContact NH2-OD2 3.98Å; R84-D107 PolarHBondContact NH2-OD2 2.75Å
85	L	97.4	Very high	97.6	Very high	13 Å²	13	61.6 Å²	61.6	7%	0.068	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	145.4	-175.7	-74.4	179.2	0	0	0	113.6	L66 Y77 L81 L98 K99 M100	L66-L85 HydrophobicContact CB-CD1 3.95Å; L66-L85 VanDerWaalsContact O-CD1 3.32Å; L66-L85 WeakPolarHBondContact O-CD1 3.48Å; Y77-L85 HydrophobicContact CD1-CB 3.89Å; Y77-L85 HydrophobicContact CD1-CD1 4.46Å; Y77-L85 HydrophobicContact CE1-CB 4.16Å; L81-L85 HydrophobicContact CB-CD1 3.55Å; L81-L85 HydrophobicContact CB-CG 4.01Å; L81-L85 HydrophobicContact CD1-CD1 4.43Å; L81-L85 WeakPolarHBondContact O-CG 3.33Å; L81-L85 PolarHBondContact O-N 2.89Å; L81-L85 VanDerWaalsContact O-N 3.13Å; L85-L98 HydrophobicContact CD2-CD1 3.78Å; L85-K99 CarbonylContact C-O 3.57Å; L85-K99 WeakPolarHBondContact CA-O 3.46Å; L85-M100 HydrophobicContact CD2-CB 4.01Å; L85-M100 HydrophobicContact CD2-CE 3.26Å; L85-M100 HydrophobicContact CD2-CG 4.01Å; L85-M100 HydrophobicContact CD2-SD 4.47Å; L85-M100 HydrophobicContact CG-CE 4.13Å
86	S	98.2	Very high	97.6	Very high	55 Å²	55	59.3 Å²	59.3	39%	0.385	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	129.5	166.1	179.5	0	0	0	0	109.1	K99	S86-K99 PolarHBondContact N-O 3.38Å; S86-K99 PolarHBondContact O-N 3.41Å
87	I	98.6	Very high	97.6	Very high	8 Å²	8	57.6 Å²	57.6	4%	0.041	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	133.3	176.7	-58.8	162.9	0	0	0	108.5	I69 Y77 V96 F97 L98	I69-I87 HydrophobicContact CB-CG2 3.69Å; I69-I87 HydrophobicContact CG2-CG2 3.63Å; Y77-I87 HydrophobicContact CD1-CD1 4.08Å; Y77-I87 HydrophobicContact CE1-CB 4.24Å; Y77-I87 HydrophobicContact CE1-CD1 3.77Å; Y77-I87 HydrophobicContact CE1-CG1 3.84Å; Y77-I87 PolarHBondContact OH-N 2.82Å; I87-V96 HydrophobicContact CG2-CG1 4.06Å; I87-F97 VanDerWaalsContact CA-O 3.3Å; I87-F97 WeakPolarHBondContact CA-O 3.3Å; I87-L98 HydrophobicContact CD1-CD1 4.32Å; I87-L98 HydrophobicContact CG1-CD1 3.7Å
88	S	98.3	Very high	97.6	Very high	58 Å²	58	55.2 Å²	55.2	41%	0.406	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	170.4	175.5	68.3	0	0	0	0	111	V96 F97	S88-V96 CarbonylContact O-C 3.52Å; S88-V96 WeakPolarHBondContact O-CA 3.46Å; S88-V96 WeakPolarHBondContact O-CG1 3.3Å; S88-F97 PolarHBondContact N-O 3.35Å; S88-F97 PolarHBondContact O-N 3.15Å
89	K	98.3	Very high	97.6	Very high	43 Å²	43	58.4 Å²	58.4	19%	0.187	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	151.4	178.3	69.9	-176.9	-175	178	0	112.5	L47 I69 W70 G71 N91 Q95 V96	L47-K89 PolarHBondContact O-NZ 2.86Å; I69-K89 HydrophobicContact CD1-CB 4.1Å; I69-K89 HydrophobicContact CD1-CD 3.88Å; I69-K89 HydrophobicContact CD1-CG 3.74Å; I69-K89 HydrophobicContact CG1-CD 4.09Å; I69-K89 HydrophobicContact CG1-CG 4.49Å; I69-K89 HydrophobicContact CG2-CD 4.47Å; W70-K89 PolarHBondContact O-NZ 2.86Å; G71-K89 VanDerWaalsContact C-NZ 3.29Å; G71-K89 PolarHBondContact O-NZ 2.8Å; K89-N91 WeakPolarHBondContact CE-OD1 3.49Å; K89-Q95 CarbonylContact C-O 3.58Å; K89-Q95 VanDerWaalsContact CA-O 3.28Å; K89-Q95 WeakPolarHBondContact CA-O 3.29Å; K89-Q95 WeakPolarHBondContact CB-O 3.29Å; K89-V96 HydrophobicContact CB-CG2 4.09Å
90	D	98	Very high	97.6	Very high	39 Å²	39	53.1 Å²	53.1	21%	0.209	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	101.6	171.4	-176.1	-16.4	0	0	0	108.4	S92 K93 S94 Q95 F97	D90-S92 PolarHBondContact O-N 2.86Å; D90-S92 WeakPolarHBondContact OD1-CB 3.5Å; D90-S92 PolarHBondContact OD1-N 3.02Å; D90-S92 PolarHBondContact OD1-OG 2.85Å; D90-K93 HydrophobicContact CB-CB 4.42Å; D90-K93 PolarHBondContact O-N 2.82Å; D90-K93 PolarHBondContact OD1-N 2.88Å; D90-K93 VanDerWaalsContact OD2-CD 3.22Å; D90-K93 WeakPolarHBondContact OD2-CD 3.36Å; D90-K93 VanDerWaalsContact OD2-CE 3.26Å; D90-K93 WeakPolarHBondContact OD2-CE 3.44Å; D90-K93 IonicContact OD2-NZ 3.24Å; D90-K93 PolarHBondContact OD2-NZ 3.39Å; D90-K93 VanDerWaalsContact OD2-NZ 3.15Å; D90-S94 PolarHBondContact O-N 2.92Å; D90-S94 VanDerWaalsContact O-N 3.11Å; D90-Q95 PolarHBondContact N-O 2.87Å; D90-Q95 PolarHBondContact O-N 3Å; D90-F97 HydrophobicContact CB-CE2 3.9Å; D90-F97 HydrophobicContact CB-CZ 4.43Å
91	N	97.6	Very high	97.6	Very high	74 Å²	74	52.2 Å²	52.2	40%	0.396	28%	0.284	S	S	.	.	G	3₁₀ helix	trans	-64.1	-31.2	-178.4	-64.7	-18	0	0	0	112	L47 T48 K89 K93 S94	L47-N91 WeakPolarHBondContact CB-OD1 3.32Å; T48-N91 WeakPolarHBondContact CG2-ND2 3.45Å; K89-N91 WeakPolarHBondContact CE-OD1 3.49Å; N91-K93 PolarHBondContact O-N 3.14Å; N91-S94 PolarHBondContact O-N 2.92Å
92	S	97.1	Very high	97.6	Very high	104 Å²	104	55.4 Å²	55.4	73%	0.727	31%	0.308	S	S	*	.	G	3₁₀ helix	trans	-69.9	-25.1	-177.8	73.5	0	0	0	0	112.6	D90	D90-S92 PolarHBondContact O-N 2.86Å; D90-S92 WeakPolarHBondContact OD1-CB 3.5Å; D90-S92 PolarHBondContact OD1-N 3.02Å; D90-S92 PolarHBondContact OD1-OG 2.85Å
93	K	97.8	Very high	97.6	Very high	122 Å²	122	49.9 Å²	49.9	53%	0.53	28%	0.284	S	S	.	.	G	3₁₀ helix	trans	-104.7	-0.6	177.7	-62.3	-179.7	-168.5	147.7	0	113.4	D90 N91 Q95	D90-K93 HydrophobicContact CB-CB 4.42Å; D90-K93 PolarHBondContact O-N 2.82Å; D90-K93 PolarHBondContact OD1-N 2.88Å; D90-K93 VanDerWaalsContact OD2-CD 3.22Å; D90-K93 WeakPolarHBondContact OD2-CD 3.36Å; D90-K93 VanDerWaalsContact OD2-CE 3.26Å; D90-K93 WeakPolarHBondContact OD2-CE 3.44Å; D90-K93 IonicContact OD2-NZ 3.24Å; D90-K93 PolarHBondContact OD2-NZ 3.39Å; D90-K93 VanDerWaalsContact OD2-NZ 3.15Å; N91-K93 PolarHBondContact O-N 3.14Å; K93-Q95 VanDerWaalsContact C-N 3.25Å; K93-Q95 HydrophobicContact CB-CB 4.29Å; K93-Q95 HydrophobicContact CB-CG 4.17Å; K93-Q95 WeakPolarHBondContact O-CG 3.49Å; K93-Q95 PolarHBondContact O-N 3.13Å
94	S	97.6	Very high	97.5	Very high	50 Å²	50	49.1 Å²	49.1	35%	0.35	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	52	45.5	-172	-52.5	0	0	0	0	112	T41 V42 D90 N91	T41-S94 WeakPolarHBondContact CA-O 3.37Å; V42-S94 PolarHBondContact N-O 3.06Å; V42-S94 VanDerWaalsContact O-CB 3.29Å; V42-S94 WeakPolarHBondContact O-CB 3.32Å; D90-S94 PolarHBondContact O-N 2.92Å; D90-S94 VanDerWaalsContact O-N 3.11Å; N91-S94 PolarHBondContact O-N 2.92Å
95	Q	98.7	Very high	97.3	Very high	48 Å²	48	53.2 Å²	53.2	22%	0.224	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	142.2	-175.8	-78.5	173.9	0.4	0	0	112.8	T39 C40 T41 K89 D90 K93 F97	T39-Q95 HydrophobicContact CG2-CB 4.09Å; T39-Q95 HydrophobicContact CG2-CG 3.82Å; C40-Q95 CarbonylContact O-C 3.46Å; C40-Q95 VanDerWaalsContact O-CA 3.29Å; C40-Q95 WeakPolarHBondContact O-CA 3.3Å; T41-Q95 HydrophobicContact CG2-CG 4.44Å; K89-Q95 CarbonylContact C-O 3.58Å; K89-Q95 VanDerWaalsContact CA-O 3.28Å; K89-Q95 WeakPolarHBondContact CA-O 3.29Å; K89-Q95 WeakPolarHBondContact CB-O 3.29Å; D90-Q95 PolarHBondContact N-O 2.87Å; D90-Q95 PolarHBondContact O-N 3Å; K93-Q95 VanDerWaalsContact C-N 3.25Å; K93-Q95 HydrophobicContact CB-CB 4.29Å; K93-Q95 HydrophobicContact CB-CG 4.17Å; K93-Q95 WeakPolarHBondContact O-CG 3.49Å; K93-Q95 PolarHBondContact O-N 3.13Å; Q95-F97 HydrophobicContact CB-CE1 4.25Å; Q95-F97 HydrophobicContact CB-CE2 4.06Å; Q95-F97 HydrophobicContact CB-CZ 3.67Å
96	V	98.7	Very high	97	Very high	0 Å²	0	56.7 Å²	56.7	0%	0	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	138.3	171.2	-177.4	0	0	0	0	108.3	T39 C40 L47 V52 W54 I69 I87 S88 K89	T39-V96 CarbonylContact C-O 3.59Å; T39-V96 WeakPolarHBondContact CA-O 3.1Å; C40-V96 HydrophobicContact CB-CB 4.4Å; C40-V96 PolarHBondContact N-O 2.91Å; C40-V96 PolarHBondContact O-N 3.33Å; L47-V96 HydrophobicContact CD1-CG2 3.87Å; L47-V96 HydrophobicContact CD2-CG2 3.6Å; L47-V96 HydrophobicContact CG-CG2 4.42Å; V52-V96 HydrophobicContact CB-CB 4.49Å; V52-V96 HydrophobicContact CB-CG1 4.37Å; V52-V96 HydrophobicContact CB-CG2 3.95Å; V52-V96 HydrophobicContact CG1-CB 4.4Å; V52-V96 HydrophobicContact CG1-CG1 4.39Å; V52-V96 HydrophobicContact CG1-CG2 4.29Å; V52-V96 HydrophobicContact CG2-CG2 3.85Å; W54-V96 HydrophobicContact CZ2-CG1 4.27Å; I69-V96 HydrophobicContact CG2-CG1 3.65Å; I69-V96 HydrophobicContact CG2-CG2 4.48Å; I87-V96 HydrophobicContact CG2-CG1 4.06Å; S88-V96 CarbonylContact O-C 3.52Å; S88-V96 WeakPolarHBondContact O-CA 3.46Å; S88-V96 WeakPolarHBondContact O-CG1 3.3Å; K89-V96 HydrophobicContact CB-CG2 4.09Å
97	F	98.6	Very high	96.9	Very high	48 Å²	48	54.4 Å²	54.4	21%	0.211	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	134.3	-176	-52	-82.1	0	0	0	110.2	I38 T39 I87 S88 D90 Q95	I38-F97 WeakPolarHBondContact O-CA 3.42Å; T39-F97 HydrophobicContact CG2-CD1 3.86Å; T39-F97 HydrophobicContact CG2-CE1 3.53Å; T39-F97 HydrophobicContact CG2-CZ 4.39Å; T39-F97 WeakPolarHBondContact OG1-CD1 3.45Å; T39-F97 WeakPolarHBondContact OG1-CE1 3.4Å; I87-F97 VanDerWaalsContact CA-O 3.3Å; I87-F97 WeakPolarHBondContact CA-O 3.3Å; S88-F97 PolarHBondContact N-O 3.35Å; S88-F97 PolarHBondContact O-N 3.15Å; D90-F97 HydrophobicContact CB-CE2 3.9Å; D90-F97 HydrophobicContact CB-CZ 4.43Å; Q95-F97 HydrophobicContact CB-CE1 4.25Å; Q95-F97 HydrophobicContact CB-CE2 4.06Å; Q95-F97 HydrophobicContact CB-CZ 3.67Å
98	L	98.6	Very high	96.7	Very high	1 Å²	1	58.6 Å²	58.6	1%	0.005	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	120.9	168.6	178.5	71.6	0	0	0	108.4	S37 I38 W54 L66 L85 I87 Y111	S37-L98 CarbonylContact C-O 3.59Å; S37-L98 WeakPolarHBondContact CA-O 3.2Å; I38-L98 PolarHBondContact N-O 3.05Å; I38-L98 PolarHBondContact O-N 3.5Å; W54-L98 HydrophobicContact CB-CD1 4.25Å; W54-L98 HydrophobicContact CB-CD2 4.2Å; W54-L98 HydrophobicContact CD2-CB 3.66Å; W54-L98 HydrophobicContact CD2-CD1 4.46Å; W54-L98 HydrophobicContact CD2-CD2 3.89Å; W54-L98 HydrophobicContact CD2-CG 4.21Å; W54-L98 HydrophobicContact CE3-CB 4.07Å; W54-L98 HydrophobicContact CE3-CD2 3.83Å; W54-L98 HydrophobicContact CG-CB 4.07Å; W54-L98 HydrophobicContact CG-CD1 4.01Å; W54-L98 HydrophobicContact CG-CD2 4.06Å; W54-L98 HydrophobicContact CG-CG 4.28Å; W54-L98 HydrophobicContact CH2-CB 4.19Å; W54-L98 HydrophobicContact CZ2-CB 3.8Å; W54-L98 HydrophobicContact CZ3-CB 4.33Å; W54-L98 HydrophobicContact CZ3-CD2 4.48Å; L66-L98 HydrophobicContact CD1-CD2 3.78Å; L85-L98 HydrophobicContact CD2-CD1 3.78Å; I87-L98 HydrophobicContact CD1-CD1 4.32Å; I87-L98 HydrophobicContact CG1-CD1 3.7Å; L98-Y111 HydrophobicContact CD2-CD1 3.78Å; L98-Y111 HydrophobicContact CD2-CE1 4.23Å
99	K	97.9	Very high	96.6	Very high	97 Å²	97	56.9 Å²	56.9	42%	0.422	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	131.7	170.6	-171.4	176.2	-177.3	179.6	0	109.9	L36 L85 S86 N101	L36-K99 WeakPolarHBondContact O-CA 3.47Å; L85-K99 CarbonylContact C-O 3.57Å; L85-K99 WeakPolarHBondContact CA-O 3.46Å; S86-K99 PolarHBondContact N-O 3.38Å; S86-K99 PolarHBondContact O-N 3.41Å; K99-N101 VanDerWaalsContact CE-OD1 3.3Å; K99-N101 WeakPolarHBondContact CE-OD1 3.45Å
100	M	97.2	Very high	96.4	Very high	1 Å²	1	60.3 Å²	60.3	1%	0.005	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	124.1	174.1	-169.9	177.3	-76.8	0	0	108.8	S35 L36 L66 R84 L85 L103 D107 Y111	S35-M100 CarbonylContact C-O 3.56Å; S35-M100 VanDerWaalsContact CA-O 3.24Å; S35-M100 WeakPolarHBondContact CA-O 3.05Å; L36-M100 HydrophobicContact CB-CB 4.36Å; L36-M100 PolarHBondContact N-O 3.46Å; L36-M100 PolarHBondContact O-N 3.28Å; L66-M100 HydrophobicContact CD1-CE 4.39Å; L66-M100 HydrophobicContact CD2-CE 4.38Å; R84-M100 CarbonylContact O-C 3.56Å; R84-M100 WeakPolarHBondContact O-CA 3.49Å; L85-M100 HydrophobicContact CD2-CB 4.01Å; L85-M100 HydrophobicContact CD2-CE 3.26Å; L85-M100 HydrophobicContact CD2-CG 4.01Å; L85-M100 HydrophobicContact CD2-SD 4.47Å; L85-M100 HydrophobicContact CG-CE 4.13Å; M100-L103 HydrophobicContact CB-CD2 4.28Å; M100-L103 HydrophobicContact CG-CD2 4.06Å; M100-L103 HydrophobicContact SD-CD2 3.87Å; M100-D107 HydrophobicContact SD-CB 4.18Å; M100-Y111 HydrophobicContact CE-CE1 3.94Å
101	N	96.3	Very high	96.4	Very high	56 Å²	56	59.7 Å²	59.7	30%	0.299	33%	0.327	S	S	.	.			trans	-100.1	156.9	-179.9	-60.4	-53.7	0	0	0	111.4	S35 R84 K99 L103	S35-N101 PolarHBondContact OG-OD1 3.05Å; R84-N101 WeakPolarHBondContact CB-O 3.06Å; R84-N101 PolarHBondContact O-N 3.3Å; K99-N101 VanDerWaalsContact CE-OD1 3.3Å; K99-N101 WeakPolarHBondContact CE-OD1 3.45Å; N101-L103 PolarHBondContact O-N 3.32Å
102	S	95.1	Very high	96.4	Very high	76 Å²	76	60 Å²	60	53%	0.531	32%	0.323	S	S	.	.	S	Bend	trans	51.9	59.1	177	-54	0	0	0	0	111.1	Q34 R84 Q104	Q34-S102 PolarHBondContact O-N 2.72Å; R84-S102 PolarHBondContact NH1-O 3.2Å; R84-S102 VanDerWaalsContact NH1-O 3.15Å; S102-Q104 PolarHBondContact O-N 3.35Å
103	L	95.4	Very high	96.4	Very high	17 Å²	17	55.4 Å²	55.4	9%	0.089	29%	0.291	C	S	.	.			trans	-56.3	134.9	-179.8	-71.8	169.7	0	0	0	111.3	V30 S33 Q34 L36 M100 N101 D107	V30-L103 HydrophobicContact CB-CD1 3.79Å; V30-L103 HydrophobicContact CG1-CD1 3.45Å; V30-L103 VanDerWaalsContact CG1-CD1 3.45Å; S33-L103 PolarHBondContact N-O 3.11Å; Q34-L103 VanDerWaalsContact O-CG 3.32Å; Q34-L103 WeakPolarHBondContact O-CG 3.22Å; Q34-L103 PolarHBondContact O-N 2.77Å; L36-L103 HydrophobicContact CB-CD1 3.87Å; L36-L103 HydrophobicContact CB-CD2 3.9Å; L36-L103 HydrophobicContact CB-CG 4.26Å; L36-L103 HydrophobicContact CD2-CD2 4.39Å; M100-L103 HydrophobicContact CB-CD2 4.28Å; M100-L103 HydrophobicContact CG-CD2 4.06Å; M100-L103 HydrophobicContact SD-CD2 3.87Å; N101-L103 PolarHBondContact O-N 3.32Å; L103-D107 WeakPolarHBondContact CA-OD2 3.26Å; L103-D107 HydrophobicContact CD2-CB 4.08Å
104	Q	94.7	Very high	96.3	Very high	96 Å²	96	53.5 Å²	53.5	45%	0.449	30%	0.298	S	S	.	.			trans	-109.5	160.2	177.6	-67.2	174.3	-31.9	0	0	109.1	S102 D106 D107	S102-Q104 PolarHBondContact O-N 3.35Å; Q104-D106 WeakPolarHBondContact CB-OD1 3.5Å; Q104-D106 PolarHBondContact O-N 2.73Å; Q104-D107 PolarHBondContact N-OD2 2.84Å; Q104-D107 VanDerWaalsContact O-CB 3.3Å; Q104-D107 WeakPolarHBondContact O-CB 3.28Å; Q104-D107 PolarHBondContact O-N 3.23Å
105	T	92.4	Very high	96.2	Very high	111 Å²	111	53.7 Å²	53.7	68%	0.681	30%	0.295	S	S	*	.	G	3₁₀ helix	trans	-61.1	-31.3	-178.8	-51.4	0	0	0	0	112.4	D107 T108	T105-D107 PolarHBondContact O-N 2.81Å; T105-T108 WeakPolarHBondContact O-CB 3.44Å; T105-T108 PolarHBondContact O-N 2.72Å; T105-T108 PolarHBondContact O-OG1 3.42Å
106	D	92.6	Very high	96.1	Very high	87 Å²	87	53.9 Å²	53.9	47%	0.465	30%	0.299	S	S	.	.	G	3₁₀ helix	trans	-71.3	-13.2	176.2	66.7	-24.9	0	0	0	113.6	Q104 T108	Q104-D106 WeakPolarHBondContact CB-OD1 3.5Å; Q104-D106 PolarHBondContact O-N 2.73Å; D106-T108 PolarHBondContact O-N 3.31Å
107	D	95	Very high	96	Very high	6 Å²	6	56.9 Å²	56.9	3%	0.032	32%	0.315	C	S	.	.	G	3₁₀ helix	trans	-77.7	-3.2	172.4	-59.5	-42.6	0	0	0	113.2	R56 R84 M100 L103 Q104 T105 A109 Y111	R56-D107 IonicContact CZ-OD1 3.72Å; R56-D107 IonicContact NH1-OD1 2.72Å; R56-D107 PolarHBondContact NH1-OD1 3.09Å; R56-D107 IonicContact NH2-OD1 2.84Å; R84-D107 IonicContact CZ-OD1 3.16Å; R84-D107 IonicContact CZ-OD2 3.76Å; R84-D107 IonicContact NH1-OD1 2.7Å; R84-D107 IonicContact NH1-OD2 3.67Å; R84-D107 PolarHBondContact NH1-OD2 3.17Å; R84-D107 IonicContact NH2-OD1 2.77Å; R84-D107 PolarHBondContact NH2-OD1 3Å; R84-D107 IonicContact NH2-OD2 3.98Å; R84-D107 PolarHBondContact NH2-OD2 2.75Å; M100-D107 HydrophobicContact SD-CB 4.18Å; L103-D107 WeakPolarHBondContact CA-OD2 3.26Å; L103-D107 HydrophobicContact CD2-CB 4.08Å; Q104-D107 PolarHBondContact N-OD2 2.84Å; Q104-D107 VanDerWaalsContact O-CB 3.3Å; Q104-D107 WeakPolarHBondContact O-CB 3.28Å; Q104-D107 PolarHBondContact O-N 3.23Å; T105-D107 PolarHBondContact O-N 2.81Å; D107-A109 PolarHBondContact O-N 3.39Å; D107-Y111 PolarHBondContact O-OH 2.85Å
108	T	94.4	Very high	95.8	Very high	96 Å²	96	57.5 Å²	57.5	59%	0.589	32%	0.322	S	S	*	.			trans	-64.4	102.5	175.2	-53.6	0	0	0	0	110	P59 T105 D106	P59-T108 WeakPolarHBondContact CD-O 3.47Å; T105-T108 WeakPolarHBondContact O-CB 3.44Å; T105-T108 PolarHBondContact O-N 2.72Å; T105-T108 PolarHBondContact O-OG1 3.42Å; D106-T108 PolarHBondContact O-N 3.31Å
109	A	95.6	Very high	95.6	Very high	23 Å²	23	61 Å²	61	19%	0.19	34%	0.341	C	S	.	.	S	Bend	trans	-158.3	164.1	-174.7	0	0	0	0	0	111.3	R56 Q57 D107 Y111	R56-A109 HydrophobicContact CB-CB 3.93Å; R56-A109 HydrophobicContact CG-CB 4.24Å; Q57-A109 WeakPolarHBondContact O-CA 3.4Å; Q57-A109 WeakPolarHBondContact O-CB 3.4Å; D107-A109 PolarHBondContact O-N 3.39Å; A109-Y111 HydrophobicContact CB-CE2 4.09Å; A109-Y111 VanDerWaalsContact O-CD2 3.31Å; A109-Y111 WeakPolarHBondContact O-CD2 3.24Å; A109-Y111 WeakPolarHBondContact O-CE2 3.39Å
110	M	95.6	Very high	95.5	Very high	115 Å²	115	58.6 Å²	58.6	57%	0.567	34%	0.336	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-82	137.9	160.9	-64.1	-56.3	-60.3	0	0	109.1	R56 Q57 Y112	R56-M110 CarbonylContact C-O 3.44Å; R56-M110 WeakPolarHBondContact CA-O 3.45Å; R56-M110 WeakPolarHBondContact CB-O 3.22Å; Q57-M110 PolarHBondContact N-O 3.16Å; Q57-M110 PolarHBondContact O-N 2.88Å; M110-Y112 HydrophobicContact CB-CE1 4.44Å; M110-Y112 HydrophobicContact CB-CE2 3.67Å; M110-Y112 VanDerWaalsContact CB-OH 3.3Å; M110-Y112 WeakPolarHBondContact CB-OH 3.49Å
111	Y	97	Very high	95.4	Very high	25 Å²	25	62.7 Å²	62.7	10%	0.098	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	135	-178.1	-71.7	-102.9	0	0	0	109.6	L36 I38 R56 L66 L98 M100 D107 A109	L36-Y111 HydrophobicContact CD2-CD2 4.22Å; L36-Y111 HydrophobicContact CD2-CE1 4.18Å; L36-Y111 HydrophobicContact CD2-CE2 3.81Å; I38-Y111 HydrophobicContact CD1-CD1 4.19Å; I38-Y111 HydrophobicContact CD1-CD2 4Å; I38-Y111 HydrophobicContact CD1-CG 3.62Å; R56-Y111 HydrophobicContact CB-CD1 3.91Å; R56-Y111 HydrophobicContact CB-CE1 4.01Å; R56-Y111 HydrophobicContact CB-CG 4.24Å; L66-Y111 HydrophobicContact CD1-CD1 3.64Å; L66-Y111 HydrophobicContact CD1-CE1 3.63Å; L98-Y111 HydrophobicContact CD2-CD1 3.78Å; L98-Y111 HydrophobicContact CD2-CE1 4.23Å; M100-Y111 HydrophobicContact CE-CE1 3.94Å; D107-Y111 PolarHBondContact O-OH 2.85Å; A109-Y111 HydrophobicContact CB-CE2 4.09Å; A109-Y111 VanDerWaalsContact O-CD2 3.31Å; A109-Y111 WeakPolarHBondContact O-CD2 3.24Å; A109-Y111 WeakPolarHBondContact O-CE2 3.39Å
112	Y	97.5	Very high	95.3	Very high	80 Å²	80	63.2 Å²	63.2	31%	0.314	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	144.6	-176.4	-51.3	-79.5	0	0	0	110.2	E24 W54 V55 Q57 M110	E24-Y112 WeakPolarHBondContact OE1-CA 3.33Å; W54-Y112 WeakPolarHBondContact CA-O 3.43Å; V55-Y112 HydrophobicContact CG2-CD2 4.34Å; V55-Y112 PolarHBondContact N-O 2.97Å; V55-Y112 PolarHBondContact O-N 3.02Å; Q57-Y112 HydrophobicContact CB-CE2 4.04Å; M110-Y112 HydrophobicContact CB-CE1 4.44Å; M110-Y112 HydrophobicContact CB-CE2 3.67Å; M110-Y112 VanDerWaalsContact CB-OH 3.3Å; M110-Y112 WeakPolarHBondContact CB-OH 3.49Å
113	C	98.1	Very high	95.3	Very high	8 Å²	8	62.2 Å²	62.2	5%	0.054	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	149.2	161.5	51.7	0	0	0	0	110.1	L22 E24 C40 V52 D53 W54	L22-C113 WeakPolarHBondContact CD1-O 3.49Å; E24-C113 PolarHBondContact OE1-N 3.45Å; E24-C113 PolarHBondContact OE1-SG 2.93Å; E24-C113 VanDerWaalsContact OE1-SG 3.36Å; C40-C113 HydrophobicContact CB-CB 3.46Å; C40-C113 VanDerWaalsContact CB-CB 3.46Å; C40-C113 WeakPolarHBondContact CB-SG 3.41Å; C40-C113 WeakPolarHBondContact SG-CB 3.48Å; C40-C113 CovalentContact SG-SG 2.02Å; C40-C113 PolarHBondContact SG-SG 2.61Å; V52-C113 HydrophobicContact CG1-CB 3.74Å; D53-C113 CarbonylContact O-C 3.55Å; D53-C113 VanDerWaalsContact O-CA 3.24Å; D53-C113 WeakPolarHBondContact O-CA 3.45Å; W54-C113 HydrophobicContact CD2-CB 4.37Å; W54-C113 HydrophobicContact CE3-CB 4.14Å; W54-C113 HydrophobicContact CH2-CB 4.14Å; W54-C113 HydrophobicContact CZ2-CB 4.34Å; W54-C113 HydrophobicContact CZ3-CB 4.01Å
114	A	95.2	Very high	95.3	Very high	82 Å²	82	66.3 Å²	66.3	68%	0.678	37%	0.374	S	S	*	.			trans	-138	0	-177.1	0	0	0	0	0	111.9	V52 D53	V52-A114 CarbonylContact C-O 3.53Å; V52-A114 WeakPolarHBondContact CA-O 3.32Å; D53-A114 HydrophobicContact CB-CB 4.18Å; D53-A114 PolarHBondContact N-O 3.31Å; D53-A114 PolarHBondContact O-N 3Å

Retrieved 114 of 114 residues in 124.8 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).