A0A075B6B3_MOUSE Loading...

T cell receptor alpha variable 6D-3

AlphaFold DB , UniProt , Accession A0A075B6B3, Species MOUSE (Mus musculus, Mouse), Gene Trav6d-3, Length 112 aa.

						>A0A075B6B3_MOUSE|A0A075B6B3|Trav6d-3
MNNSPALVTVMLFILGRTHGDSVIQMQGQVTLSENDFLFINCTYSTTGYPTLFWYVQYSGEGPQLLLQVTTANNKGSSRGFEATYDKGTTSFHLQKTSVQEIDSAVYYCAMS
					

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	43.3	Very low	59.6	Low	231 Å²	231	140.2 Å²	140.2	100%	1.138	81%	0.81	S	S	*	*				0	91.1	0	-70.4	148.6	87.2	0	0	106.9
2	N	42.9	Very low	59.5	Low	163 Å²	163	139.6 Å²	139.6	87%	0.872	80%	0.8	S	S	*	*			trans	-111.5	102.8	178.7	-79.2	14.2	0	0	0	108.2	S4	N2-S4 PolarHBondContact O-N 2.89Å
3	N	48.7	Very low	59.1	Low	164 Å²	164	142.5 Å²	142.5	88%	0.877	80%	0.799	S	S	*	*			trans	-84.5	105.8	171	-82.1	-3.2	0	0	0	108.4
4	S	58.8	Low	59	Low	115 Å²	115	142.9 Å²	142.9	80%	0.804	80%	0.795	S	S	*	*	P	Polyproline II helix	trans	-73.3	128.1	167	-156.9	0	0	0	0	108.2	N2 A6	N2-S4 PolarHBondContact O-N 2.89Å; S4-A6 PolarHBondContact O-N 3.01Å
5	P	59.2	Low	58.7	Low	116 Å²	116	144.4 Å²	144.4	75%	0.753	80%	0.8	S	S	*	*	P	Polyproline II helix	trans	-71.8	120	177.3	29.1	-29.8	0	0	0	108	L7	P5-L7 PolarHBondContact O-N 3.43Å
6	A	67	Low	58.6	Low	90 Å²	90	138.9 Å²	138.9	74%	0.744	79%	0.787	S	S	*	*	P	Polyproline II helix	trans	-66	116.2	168.9	0	0	0	0	0	108	S4 V8	S4-A6 PolarHBondContact O-N 3.01Å; A6-V8 PolarHBondContact O-N 3.24Å
7	L	67.9	Low	58.4	Low	169 Å²	169	145.1 Å²	145.1	89%	0.885	80%	0.795	S	S	*	*			trans	-69.4	110.7	171	-96.6	158.8	0	0	0	108.4	P5	P5-L7 PolarHBondContact O-N 3.43Å
8	V	67.8	Low	58.4	Low	121 Å²	121	144.4 Å²	144.4	73%	0.733	80%	0.796	S	S	*	*			trans	-90.1	106.1	174.1	-178.5	0	0	0	0	108	A6 V10	A6-V8 PolarHBondContact O-N 3.24Å; V8-V10 HydrophobicContact CG1-CG2 4.09Å; V8-V10 PolarHBondContact O-N 2.68Å
9	T	66.8	Low	58.8	Low	115 Å²	115	144.1 Å²	144.1	71%	0.706	79%	0.788	S	S	*	*			trans	-84.8	108	172.8	-44.2	0	0	0	0	109.1
10	V	67.9	Low	59.8	Low	109 Å²	109	139.3 Å²	139.3	66%	0.661	77%	0.773	S	S	*	*			trans	-90.1	101.8	173.6	-178.5	0	0	0	0	108.4	V8 L12	V8-V10 HydrophobicContact CG1-CG2 4.09Å; V8-V10 PolarHBondContact O-N 2.68Å; V10-L12 HydrophobicContact CG1-CD1 3.71Å; V10-L12 PolarHBondContact O-N 2.74Å
11	M	65.8	Low	61.3	Low	149 Å²	149	137.3 Å²	137.3	73%	0.734	76%	0.761	S	S	*	*			trans	-82.4	96.4	169.8	-77.1	-72.2	-151.8	0	0	109.2	F13	M11-F13 HydrophobicContact CB-CE2 4.28Å; M11-F13 PolarHBondContact O-N 2.96Å; M11-F13 VanDerWaalsContact O-N 3.17Å
12	L	57.5	Low	63.8	Low	133 Å²	133	128.8 Å²	128.8	70%	0.696	72%	0.724	S	S	*	*			trans	-71.2	103.5	165.5	-110.9	79.5	0	0	0	108.1	V10 I14	V10-L12 HydrophobicContact CG1-CD1 3.71Å; V10-L12 PolarHBondContact O-N 2.74Å; L12-I14 VanDerWaalsContact C-N 3.34Å; L12-I14 PolarHBondContact O-N 3.4Å
13	F	54.3	Low	66.3	Low	178 Å²	178	123.4 Å²	123.4	78%	0.781	70%	0.697	S	S	*	*			trans	-73.7	93.8	162.1	-73.4	-84.1	0	0	0	107.7	M11 L15	M11-F13 HydrophobicContact CB-CE2 4.28Å; M11-F13 PolarHBondContact O-N 2.96Å; M11-F13 VanDerWaalsContact O-N 3.17Å; F13-L15 PolarHBondContact O-N 2.79Å
14	I	58.3	Low	68.6	Low	147 Å²	147	121 Å²	121	75%	0.754	68%	0.683	S	S	*	*			trans	-64.9	93.2	159.2	42.4	-88.7	0	0	0	106.7	L12 G16	L12-I14 VanDerWaalsContact C-N 3.34Å; L12-I14 PolarHBondContact O-N 3.4Å; I14-G16 PolarHBondContact O-N 3.08Å
15	L	54	Low	70.4	Confident	166 Å²	166	118.3 Å²	118.3	87%	0.869	66%	0.658	S	S	*	*			trans	-64.2	81.5	162.3	-77.9	157.6	0	0	0	106.8	F13 R17	F13-L15 PolarHBondContact O-N 2.79Å; L15-R17 PolarHBondContact O-N 2.81Å
16	G	57.4	Low	72	Confident	57 Å²	57	116 Å²	116	59%	0.588	64%	0.638	S	S	*	*			trans	-56	128.6	165	0	0	0	0	0	107.1	I14 T18	I14-G16 PolarHBondContact O-N 3.08Å; G16-T18 PolarHBondContact O-N 3.05Å
17	R	56.1	Low	73.1	Confident	244 Å²	244	120.4 Å²	120.4	92%	0.921	64%	0.643	S	S	*	*			trans	-56	105.8	168.6	-94.3	-178.6	158.2	143	-5.2	107.3	L15 H19	L15-R17 PolarHBondContact O-N 2.81Å; R17-H19 PolarHBondContact O-N 3.15Å; R17-H19 VanDerWaalsContact O-N 3.11Å
18	T	58.3	Low	74.2	Confident	133 Å²	133	116 Å²	116	82%	0.816	64%	0.638	S	S	*	*			trans	-65.3	109.6	159.8	53.5	0	0	0	0	104.9	G16 G20	G16-T18 PolarHBondContact O-N 3.05Å; T18-G20 PolarHBondContact O-N 2.77Å
19	H	65.2	Low	75.3	Confident	138 Å²	138	118.7 Å²	118.7	64%	0.639	64%	0.643	S	S	*	*			trans	-67.6	91.3	174.3	-141.2	75.3	0	0	0	106.4	R17 S45	R17-H19 PolarHBondContact O-N 3.15Å; R17-H19 VanDerWaalsContact O-N 3.11Å; H19-S45 PolarHBondContact NE2-OG 2.91Å
20	G	79.1	Confident	76.5	Confident	47 Å²	47	117.2 Å²	117.2	49%	0.485	63%	0.633	S	S	.	*			trans	-74.7	148.6	179.5	0	0	0	0	0	110.3	T18 S22	T18-G20 PolarHBondContact O-N 2.77Å; G20-S22 PolarHBondContact O-N 3.08Å
21	D	91.5	Very high	77.8	Confident	99 Å²	99	117.7 Å²	117.7	53%	0.529	64%	0.637	S	S	.	*			trans	-61.1	130.6	171.2	-78.1	-12.8	0	0	0	110	S45 T46 M111	D21-S45 CarbonylContact C-O 3.53Å; D21-S45 VanDerWaalsContact CA-O 3.29Å; D21-S45 WeakPolarHBondContact CA-O 3.28Å; D21-T46 WeakPolarHBondContact OD1-CA 3.49Å; D21-T46 WeakPolarHBondContact OD1-CB 3.47Å; D21-T46 PolarHBondContact OD1-OG1 3.18Å; D21-M111 VanDerWaalsContact C-CE 3.48Å; D21-M111 HydrophobicContact CB-CE 3.46Å; D21-M111 VanDerWaalsContact CB-CE 3.46Å
22	S	94.9	Very high	79.2	Confident	51 Å²	51	113.7 Å²	113.7	36%	0.357	62%	0.618	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-146	154	179.3	57.1	0	0	0	0	113.4	G20 Y44 S45 M111	G20-S22 PolarHBondContact O-N 3.08Å; S22-Y44 CarbonylContact O-C 3.57Å; S22-Y44 VanDerWaalsContact O-CA 3.23Å; S22-Y44 WeakPolarHBondContact O-CA 3.22Å; S22-S45 PolarHBondContact N-O 2.82Å; S22-S45 PolarHBondContact O-N 2.86Å; S22-M111 VanDerWaalsContact O-CE 3.31Å; S22-M111 WeakPolarHBondContact O-CE 3.41Å
23	V	96.8	Very high	81.1	Confident	50 Å²	50	111.2 Å²	111.2	30%	0.303	61%	0.612	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-123.8	133.5	173	177.7	0	0	0	0	108.3	T43 C109 M111	V23-T43 CarbonylContact C-O 3.58Å; V23-T43 WeakPolarHBondContact CA-O 3.33Å; V23-C109 HydrophobicContact CG1-CB 4.05Å; V23-M111 HydrophobicContact CG2-CB 4.15Å; V23-M111 HydrophobicContact CG2-CE 4.03Å; V23-M111 HydrophobicContact CG2-CG 3.61Å; V23-M111 HydrophobicContact CG2-SD 3.88Å
24	I	97.1	Very high	83.1	Confident	114 Å²	114	107.7 Å²	107.7	59%	0.585	60%	0.598	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-119.9	115.9	176.1	-57.4	175	0	0	0	107.3	C42 T43	I24-C42 WeakPolarHBondContact O-CA 3.41Å; I24-T43 PolarHBondContact N-O 2.61Å; I24-T43 PolarHBondContact O-N 2.85Å
25	Q	96.2	Very high	84.9	Confident	59 Å²	59	106.2 Å²	106.2	28%	0.276	59%	0.591	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-117.5	160.5	177.2	65.1	169.6	81	0	0	112	Q27 N41 Y107 C109	Q25-Q27 PolarHBondContact O-N 2.88Å; Q25-N41 CarbonylContact C-O 3.57Å; Q25-N41 VanDerWaalsContact CA-O 3.24Å; Q25-N41 WeakPolarHBondContact CA-O 3.43Å; Q25-Y107 PolarHBondContact NE2-O 3.38Å; Q25-C109 HydrophobicContact CB-CB 4.38Å
26	M	93	Very high	87	Confident	68 Å²	68	101.4 Å²	101.4	34%	0.335	57%	0.567	S	S	.	*			trans	-53.7	132.6	168.4	-173.3	178.5	-68.9	0	0	110	V30 I40 N41	M26-V30 HydrophobicContact SD-CG2 3.88Å; M26-I40 HydrophobicContact CB-CG2 4.17Å; M26-N41 HydrophobicContact CB-CB 4.21Å; M26-N41 HydrophobicContact CE-CB 4.35Å; M26-N41 PolarHBondContact N-O 2.79Å
27	Q	89.1	Confident	89	Confident	181 Å²	181	103.9 Å²	103.9	85%	0.846	56%	0.561	S	S	*	*			trans	-109.6	150.1	177.9	-64.6	-177.4	-3.7	0	0	110.4	Q25	Q25-Q27 PolarHBondContact O-N 2.88Å
28	G	90.5	Very high	90.9	Very high	77 Å²	77	93 Å²	93	79%	0.794	52%	0.522	S	S	*	.	S	Bend	trans	98.3	179.1	178.4	0	0	0	0	0	113.5
29	Q	91.4	Very high	92.8	Very high	178 Å²	178	90.5 Å²	90.5	83%	0.832	50%	0.499	S	S	*	.			trans	-92.5	136.7	179.6	-176.6	177.2	-21.5	0	0	109.9
30	V	91.7	Very high	94.4	Very high	83 Å²	83	84.9 Å²	84.9	50%	0.503	47%	0.474	S	S	.	.			trans	-114.6	132.2	170.3	-174.9	0	0	0	0	107.6	M26 L32	M26-V30 HydrophobicContact SD-CG2 3.88Å; V30-L32 HydrophobicContact CG1-CD2 4.01Å; V30-L32 HydrophobicContact CG1-CG 4Å
31	T	94.9	Very high	95.3	Very high	120 Å²	120	85.8 Å²	85.8	74%	0.736	47%	0.468	S	S	*	.			trans	-110.6	124.6	174.2	-54.4	0	0	0	0	108.2
32	L	95.4	Very high	95.6	Very high	65 Å²	65	81.1 Å²	81.1	34%	0.34	44%	0.443	S	S	.	.			trans	-125.8	153	179.6	-62.6	177.3	0	0	0	109	V30 D36 L38 V99	V30-L32 HydrophobicContact CG1-CD2 4.01Å; V30-L32 HydrophobicContact CG1-CG 4Å; L32-D36 HydrophobicContact CB-CB 4.09Å; L32-D36 HydrophobicContact CD2-CB 4.46Å; L32-L38 HydrophobicContact CD1-CB 4.07Å; L32-L38 HydrophobicContact CD1-CD1 3.68Å; L32-V99 HydrophobicContact CB-CG2 4.14Å; L32-V99 HydrophobicContact CD1-CG1 4.49Å; L32-V99 HydrophobicContact CD1-CG2 4.45Å
33	S	97.3	Very high	95.8	Very high	81 Å²	81	81 Å²	81	57%	0.566	44%	0.44	S	S	*	.			trans	-84.4	157.6	170	-52.2	0	0	0	0	110.1	N35 D36 V99	S33-N35 PolarHBondContact O-N 2.88Å; S33-D36 WeakPolarHBondContact CB-OD2 3.47Å; S33-D36 PolarHBondContact N-OD2 2.7Å; S33-D36 WeakPolarHBondContact O-CB 3.37Å; S33-D36 PolarHBondContact O-N 2.84Å; S33-D36 VanDerWaalsContact O-N 3.09Å; S33-V99 WeakPolarHBondContact O-CG2 3.32Å
34	E	97.1	Very high	95.7	Very high	103 Å²	103	79.2 Å²	79.2	48%	0.481	43%	0.428	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.1	142	171.6	-68.3	-164	133.8	0	0	111.3	D36 V99 E101	E34-D36 PolarHBondContact O-N 3.27Å; E34-V99 WeakPolarHBondContact CA-O 3.48Å; E34-E101 HydrophobicContact CG-CG 4.24Å; E34-E101 WeakPolarHBondContact OE1-CG 3.39Å; E34-E101 PolarHBondContact OE1-N 2.66Å
35	N	96.8	Very high	95.7	Very high	116 Å²	116	75.4 Å²	75.4	62%	0.62	41%	0.411	S	S	*	.	T	Hydrogen-bonded Turn	trans	70.9	2.4	-174	-47.2	-73.8	0	0	0	116.3	S33 S98 V99	S33-N35 PolarHBondContact O-N 2.88Å; N35-S98 WeakPolarHBondContact CA-OG 3.21Å; N35-S98 PolarHBondContact OD1-OG 3.29Å; N35-V99 PolarHBondContact N-O 3.47Å
36	D	98.2	Very high	95.6	Very high	65 Å²	65	74.2 Å²	74.2	35%	0.348	41%	0.408	S	S	.	.	P	Polyproline II helix	trans	-69.3	155.1	170	-73.3	-15.4	0	0	0	111.5	L32 S33 E34 S98 V99	L32-D36 HydrophobicContact CB-CB 4.09Å; L32-D36 HydrophobicContact CD2-CB 4.46Å; S33-D36 WeakPolarHBondContact CB-OD2 3.47Å; S33-D36 PolarHBondContact N-OD2 2.7Å; S33-D36 WeakPolarHBondContact O-CB 3.37Å; S33-D36 PolarHBondContact O-N 2.84Å; S33-D36 VanDerWaalsContact O-N 3.09Å; E34-D36 PolarHBondContact O-N 3.27Å; D36-S98 WeakPolarHBondContact O-CA 3.43Å; D36-V99 HydrophobicContact CB-CG2 4.33Å; D36-V99 PolarHBondContact O-N 2.99Å
37	F	97.8	Very high	95.4	Very high	109 Å²	109	77.2 Å²	77.2	48%	0.478	43%	0.43	S	S	.	.	P	Polyproline II helix	trans	-78.3	126.4	172	178.8	-105.3	0	0	0	110.5	F39 Q95 K96	F37-F39 HydrophobicContact CD1-CB 4.26Å; F37-F39 HydrophobicContact CE1-CB 3.7Å; F37-F39 HydrophobicContact CE1-CD2 4.07Å; F37-F39 HydrophobicContact CE1-CG 4.3Å; F37-F39 HydrophobicContact CZ-CB 4.45Å; F37-F39 HydrophobicContact CZ-CD2 4.29Å; F37-Q95 HydrophobicContact CE2-CB 4.34Å; F37-Q95 HydrophobicContact CZ-CB 4.14Å; F37-Q95 HydrophobicContact CZ-CG 4.33Å; F37-K96 WeakPolarHBondContact CD2-O 3.32Å
38	L	97.2	Very high	95.4	Very high	16 Å²	16	70.2 Å²	70.2	8%	0.084	41%	0.407	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	136.3	172.2	175.8	69.1	0	0	0	110.9	L32 I40 F81 Q95 K96 V99	L32-L38 HydrophobicContact CD1-CB 4.07Å; L32-L38 HydrophobicContact CD1-CD1 3.68Å; L38-I40 HydrophobicContact CD1-CD1 4.11Å; L38-I40 HydrophobicContact CD1-CG1 3.76Å; L38-I40 HydrophobicContact CD2-CD1 4.2Å; L38-I40 HydrophobicContact CD2-CG1 4.38Å; L38-I40 HydrophobicContact CG-CD1 4.4Å; L38-I40 HydrophobicContact CG-CG1 4.07Å; L38-F81 HydrophobicContact CD2-CD1 4.26Å; L38-F81 HydrophobicContact CD2-CE1 3.63Å; L38-Q95 VanDerWaalsContact O-CA 3.27Å; L38-Q95 WeakPolarHBondContact O-CA 3.3Å; L38-K96 HydrophobicContact CB-CB 4.17Å; L38-K96 HydrophobicContact CD2-CB 4.37Å; L38-K96 PolarHBondContact N-O 2.9Å; L38-K96 PolarHBondContact O-N 2.69Å; L38-V99 HydrophobicContact CB-CG1 3.52Å; L38-V99 HydrophobicContact CD2-CG1 4.26Å; L38-V99 HydrophobicContact CG-CG1 4.43Å
39	F	97.7	Very high	95.5	Very high	80 Å²	80	74.6 Å²	74.6	35%	0.351	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	115.8	171.1	-172.9	-94	0	0	0	110.6	F37 N41 H93 L94 Q95	F37-F39 HydrophobicContact CD1-CB 4.26Å; F37-F39 HydrophobicContact CE1-CB 3.7Å; F37-F39 HydrophobicContact CE1-CD2 4.07Å; F37-F39 HydrophobicContact CE1-CG 4.3Å; F37-F39 HydrophobicContact CZ-CB 4.45Å; F37-F39 HydrophobicContact CZ-CD2 4.29Å; F39-N41 WeakPolarHBondContact CE1-OD1 2.95Å; F39-H93 HydrophobicContact CE2-CB 3.97Å; F39-H93 HydrophobicContact CZ-CB 3.89Å; F39-H93 AromaticContact CZ-CG 3.81Å; F39-H93 AromaticContact CZ-ND1 3.89Å; F39-L94 CarbonylContact C-O 3.51Å; F39-L94 WeakPolarHBondContact CA-O 3.19Å; F39-Q95 HydrophobicContact CD2-CG 3.71Å; F39-Q95 HydrophobicContact CE2-CG 4.08Å
40	I	97.9	Very high	95.8	Very high	21 Å²	21	66.3 Å²	66.3	11%	0.108	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	123	178.4	-51.6	-179.5	0	0	0	109.3	M26 L38 W54 H93 L94 Y107	M26-I40 HydrophobicContact CB-CG2 4.17Å; L38-I40 HydrophobicContact CD1-CD1 4.11Å; L38-I40 HydrophobicContact CD1-CG1 3.76Å; L38-I40 HydrophobicContact CD2-CD1 4.2Å; L38-I40 HydrophobicContact CD2-CG1 4.38Å; L38-I40 HydrophobicContact CG-CD1 4.4Å; L38-I40 HydrophobicContact CG-CG1 4.07Å; I40-W54 HydrophobicContact CB-CH2 4.03Å; I40-W54 HydrophobicContact CG2-CH2 3.55Å; I40-W54 HydrophobicContact CG2-CZ2 4.42Å; I40-W54 HydrophobicContact CG2-CZ3 4.16Å; I40-H93 WeakPolarHBondContact O-CA 3.15Å; I40-L94 HydrophobicContact CB-CB 4.23Å; I40-L94 HydrophobicContact CD1-CD2 4.34Å; I40-L94 PolarHBondContact N-O 3Å; I40-L94 PolarHBondContact O-N 2.85Å; I40-Y107 HydrophobicContact CD1-CD2 3.91Å; I40-Y107 HydrophobicContact CD1-CG 3.86Å
41	N	98.1	Very high	96.1	Very high	65 Å²	65	63.8 Å²	63.8	35%	0.348	35%	0.347	S	S	.	.			trans	-71.8	132.3	178.7	-78.8	-41.3	0	0	0	112.3	Q25 M26 F39 H93	Q25-N41 CarbonylContact C-O 3.57Å; Q25-N41 VanDerWaalsContact CA-O 3.24Å; Q25-N41 WeakPolarHBondContact CA-O 3.43Å; M26-N41 HydrophobicContact CB-CB 4.21Å; M26-N41 HydrophobicContact CE-CB 4.35Å; M26-N41 PolarHBondContact N-O 2.79Å; F39-N41 WeakPolarHBondContact CE1-OD1 2.95Å; N41-H93 WeakPolarHBondContact CA-ND1 3.25Å; N41-H93 PolarHBondContact OD1-CE1 3.3Å; N41-H93 PolarHBondContact OD1-ND1 2.94Å
42	C	98.3	Very high	96.2	Very high	1 Å²	1	58.1 Å²	58.1	1%	0.007	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	125.8	164.5	177.5	0	0	0	0	110.3	I24 W54 S91 F92 H93 C109	I24-C42 WeakPolarHBondContact O-CA 3.41Å; C42-W54 HydrophobicContact CB-CH2 4.06Å; C42-W54 HydrophobicContact CB-CZ2 3.49Å; C42-W54 VanDerWaalsContact CB-CZ2 3.49Å; C42-S91 WeakPolarHBondContact O-CA 3.44Å; C42-S91 WeakPolarHBondContact O-CB 3.45Å; C42-F92 PolarHBondContact O-N 3.5Å; C42-H93 PolarHBondContact N-ND1 2.92Å; C42-C109 HydrophobicContact CB-CB 3.58Å; C42-C109 WeakPolarHBondContact CB-SG 3.18Å; C42-C109 WeakPolarHBondContact SG-CB 3.37Å; C42-C109 CovalentContact SG-SG 2.02Å; C42-C109 PolarHBondContact SG-SG 2.74Å
43	T	98.3	Very high	96.4	Very high	49 Å²	49	56.3 Å²	56.3	30%	0.301	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	157	169.2	59.3	0	0	0	0	109.8	V23 I24 T90	V23-T43 CarbonylContact C-O 3.58Å; V23-T43 WeakPolarHBondContact CA-O 3.33Å; I24-T43 PolarHBondContact N-O 2.61Å; I24-T43 PolarHBondContact O-N 2.85Å; T43-T90 CarbonylContact C-O 3.58Å; T43-T90 VanDerWaalsContact CA-O 3.25Å; T43-T90 WeakPolarHBondContact CA-O 3.45Å; T43-T90 WeakPolarHBondContact CB-O 3.46Å
44	Y	96.6	Very high	96.5	Very high	13 Å²	13	52.5 Å²	52.5	5%	0.051	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	158.5	178.3	66.4	-89	0	0	0	110.3	S22 T46 P50 L52 Y85 D86 T90 M111	S22-Y44 CarbonylContact O-C 3.57Å; S22-Y44 VanDerWaalsContact O-CA 3.23Å; S22-Y44 WeakPolarHBondContact O-CA 3.22Å; Y44-T46 HydrophobicContact CD2-CG2 3.67Å; Y44-T46 HydrophobicContact CE2-CG2 3.74Å; Y44-P50 HydrophobicContact CD2-CG 4.11Å; Y44-P50 HydrophobicContact CE2-CG 3.9Å; Y44-L52 HydrophobicContact CD1-CD1 4.05Å; Y44-L52 HydrophobicContact CD1-CD2 3.77Å; Y44-L52 HydrophobicContact CE1-CD1 3.67Å; Y44-L52 HydrophobicContact CE1-CD2 4.15Å; Y44-L52 HydrophobicContact CG-CD2 4.08Å; Y44-Y85 HydrophobicContact CE1-CD2 4.41Å; Y44-Y85 HydrophobicContact CE1-CE2 4.31Å; Y44-Y85 AromaticContact CZ-CE2 3.88Å; Y44-Y85 WeakPolarHBondContact OH-CE2 3.48Å; Y44-D86 PolarHBondContact OH-O 3.4Å; Y44-T90 WeakPolarHBondContact CD1-O 3.44Å; Y44-T90 HydrophobicContact CE2-CG2 4.45Å; Y44-T90 PolarHBondContact N-O 3.26Å; Y44-T90 WeakPolarHBondContact O-CB 3.04Å; Y44-M111 HydrophobicContact CD2-SD 4.26Å; Y44-M111 HydrophobicContact CG-SD 4.3Å
45	S	95.8	Very high	96.5	Very high	34 Å²	34	51 Å²	51	24%	0.238	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	123.9	168.8	-178.5	0	0	0	0	108.1	H19 D21 S22	H19-S45 PolarHBondContact NE2-OG 2.91Å; D21-S45 CarbonylContact C-O 3.53Å; D21-S45 VanDerWaalsContact CA-O 3.29Å; D21-S45 WeakPolarHBondContact CA-O 3.28Å; S22-S45 PolarHBondContact N-O 2.82Å; S22-S45 PolarHBondContact O-N 2.86Å
46	T	93.6	Very high	96.6	Very high	34 Å²	34	45.5 Å²	45.5	21%	0.209	24%	0.236	C	C	.	.			trans	-158.8	158.1	175.9	-177	0	0	0	0	109.6	D21 Y44 G48 P50	D21-T46 WeakPolarHBondContact OD1-CA 3.49Å; D21-T46 WeakPolarHBondContact OD1-CB 3.47Å; D21-T46 PolarHBondContact OD1-OG1 3.18Å; Y44-T46 HydrophobicContact CD2-CG2 3.67Å; Y44-T46 HydrophobicContact CE2-CG2 3.74Å; T46-G48 PolarHBondContact OG1-N 3.09Å; T46-P50 HydrophobicContact CG2-CB 4.36Å; T46-P50 HydrophobicContact CG2-CG 3.74Å
47	T	89.4	Confident	96.6	Very high	130 Å²	130	44.9 Å²	44.9	80%	0.798	23%	0.231	S	C	*	.	S	Bend	trans	-84.6	-13.3	173.6	54.5	0	0	0	0	113.2
48	G	89.5	Confident	96.6	Very high	34 Å²	34	41.8 Å²	41.8	35%	0.351	22%	0.216	S	C	.	.	S	Bend	trans	-104.6	-159.8	-170.2	0	0	0	0	0	115.8	T46 P50	T46-G48 PolarHBondContact OG1-N 3.09Å; G48-P50 WeakPolarHBondContact O-CD 3.41Å
49	Y	93.3	Very high	96.4	Very high	169 Å²	169	47 Å²	47	66%	0.663	26%	0.255	S	S	*	.			trans	-112.2	84.6	170.4	-66.9	-94	0	0	0	107.8	K87	Y49-K87 HydrophobicContact CD1-CD 4.37Å; Y49-K87 HydrophobicContact CE1-CD 3.94Å; Y49-K87 PolarHBondContact OH-NZ 3.31Å
50	P	96.3	Very high	96.3	Very high	5 Å²	5	47.4 Å²	47.4	3%	0.032	28%	0.281	C	S	.	.			trans	-68.2	157.2	-176.1	30	-39	0	0	0	111.1	Y44 T46 G48 L52 Y85 M111 S112	Y44-P50 HydrophobicContact CD2-CG 4.11Å; Y44-P50 HydrophobicContact CE2-CG 3.9Å; T46-P50 HydrophobicContact CG2-CB 4.36Å; T46-P50 HydrophobicContact CG2-CG 3.74Å; G48-P50 WeakPolarHBondContact O-CD 3.41Å; P50-L52 HydrophobicContact CB-CD2 4.21Å; P50-L52 HydrophobicContact CG-CD2 3.9Å; P50-L52 HydrophobicContact CG-CG 4.25Å; P50-Y85 WeakPolarHBondContact CD-OH 3.28Å; P50-Y85 WeakPolarHBondContact O-CE1 3.41Å; P50-M111 HydrophobicContact CB-CB 4.08Å; P50-M111 HydrophobicContact CB-SD 4.45Å; P50-S112 CarbonylContact C-O 3.59Å; P50-S112 VanDerWaalsContact CA-O 3.32Å; P50-S112 WeakPolarHBondContact CA-O 3.38Å
51	T	97.9	Very high	96.2	Very high	30 Å²	30	50.8 Å²	50.8	18%	0.184	30%	0.296	C	S	.	.			trans	-83.4	133.3	153.8	-54.7	0	0	0	0	108.5	F53 T70 M111 S112	T51-F53 HydrophobicContact CG2-CD2 4.43Å; T51-F53 HydrophobicContact CG2-CE1 3.75Å; T51-F53 HydrophobicContact CG2-CE2 3.66Å; T51-F53 HydrophobicContact CG2-CZ 3.27Å; T51-F53 VanDerWaalsContact O-CE2 3.28Å; T51-F53 WeakPolarHBondContact O-CE2 3.48Å; T51-T70 HydrophobicContact CG2-CG2 3.58Å; T51-M111 CarbonylContact O-C 3.56Å; T51-M111 WeakPolarHBondContact O-CA 3.4Å; T51-S112 PolarHBondContact N-O 3.47Å; T51-S112 PolarHBondContact O-N 2.79Å
52	L	98.5	Very high	96.2	Very high	1 Å²	1	49.8 Å²	49.8	1%	0.005	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	139.4	-177.7	-60.5	170.3	0	0	0	110.1	Y44 P50 Q68 V69 Y85 F92 M111	Y44-L52 HydrophobicContact CD1-CD1 4.05Å; Y44-L52 HydrophobicContact CD1-CD2 3.77Å; Y44-L52 HydrophobicContact CE1-CD1 3.67Å; Y44-L52 HydrophobicContact CE1-CD2 4.15Å; Y44-L52 HydrophobicContact CG-CD2 4.08Å; P50-L52 HydrophobicContact CB-CD2 4.21Å; P50-L52 HydrophobicContact CG-CD2 3.9Å; P50-L52 HydrophobicContact CG-CG 4.25Å; L52-Q68 CarbonylContact O-C 3.48Å; L52-Q68 WeakPolarHBondContact O-CA 3.45Å; L52-V69 PolarHBondContact N-O 3.46Å; L52-V69 PolarHBondContact O-N 2.85Å; L52-Y85 HydrophobicContact CD1-CD1 3.9Å; L52-Y85 HydrophobicContact CD1-CD2 3.3Å; L52-Y85 HydrophobicContact CD1-CE1 4.31Å; L52-Y85 HydrophobicContact CD1-CE2 3.82Å; L52-Y85 HydrophobicContact CD1-CG 3.4Å; L52-Y85 HydrophobicContact CG-CD1 4.49Å; L52-Y85 HydrophobicContact CG-CG 4.42Å; L52-F92 HydrophobicContact CB-CB 4.36Å; L52-F92 HydrophobicContact CB-CD1 3.59Å; L52-F92 HydrophobicContact CB-CD2 3.94Å; L52-F92 HydrophobicContact CB-CE1 3.72Å; L52-F92 HydrophobicContact CB-CE2 4.1Å; L52-F92 HydrophobicContact CB-CG 3.7Å; L52-F92 HydrophobicContact CB-CZ 3.98Å; L52-F92 HydrophobicContact CD1-CB 3.95Å; L52-F92 HydrophobicContact CD1-CD2 3.91Å; L52-F92 HydrophobicContact CD1-CG 3.94Å; L52-F92 HydrophobicContact CG-CG 4.37Å; L52-M111 HydrophobicContact CD2-CB 3.7Å
53	F	98.6	Very high	96.1	Very high	27 Å²	27	53.5 Å²	53.5	12%	0.118	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	144.2	-172.4	-53.4	-93.5	0	0	0	111.1	T51 Y55 L65 Q68 C109 A110 S112	T51-F53 HydrophobicContact CG2-CD2 4.43Å; T51-F53 HydrophobicContact CG2-CE1 3.75Å; T51-F53 HydrophobicContact CG2-CE2 3.66Å; T51-F53 HydrophobicContact CG2-CZ 3.27Å; T51-F53 VanDerWaalsContact O-CE2 3.28Å; T51-F53 WeakPolarHBondContact O-CE2 3.48Å; F53-Y55 HydrophobicContact CB-CD2 4.15Å; F53-Y55 HydrophobicContact CB-CE2 3.61Å; F53-Y55 HydrophobicContact CG-CE2 4.19Å; F53-L65 HydrophobicContact CB-CD1 4.44Å; F53-L65 HydrophobicContact CD1-CD1 3.89Å; F53-Q68 HydrophobicContact CD1-CB 3.59Å; F53-Q68 HydrophobicContact CE1-CB 3.88Å; F53-Q68 HydrophobicContact CG-CB 4.45Å; F53-C109 WeakPolarHBondContact O-CA 3.35Å; F53-A110 HydrophobicContact CB-CB 4.37Å; F53-A110 PolarHBondContact N-O 2.9Å; F53-A110 PolarHBondContact O-N 3.47Å; F53-S112 WeakPolarHBondContact CE2-OG 3.4Å
54	W	98.7	Very high	96.1	Very high	0 Å²	0	54.9 Å²	54.9	0%	0	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	131.1	157.1	-83	100.5	0	0	0	109.2	I40 C42 L66 L67 F92 L94 Y108 C109	I40-W54 HydrophobicContact CB-CH2 4.03Å; I40-W54 HydrophobicContact CG2-CH2 3.55Å; I40-W54 HydrophobicContact CG2-CZ2 4.42Å; I40-W54 HydrophobicContact CG2-CZ3 4.16Å; C42-W54 HydrophobicContact CB-CH2 4.06Å; C42-W54 HydrophobicContact CB-CZ2 3.49Å; C42-W54 VanDerWaalsContact CB-CZ2 3.49Å; W54-L66 HydrophobicContact CB-CB 4.31Å; W54-L66 HydrophobicContact CB-CD2 4.36Å; W54-L66 WeakPolarHBondContact O-CA 3.35Å; W54-L66 WeakPolarHBondContact O-CB 3.29Å; W54-L66 PolarHBondContact O-N 3.03Å; W54-L67 HydrophobicContact CB-CD1 4.13Å; W54-L67 HydrophobicContact CB-CG 4.19Å; W54-L67 HydrophobicContact CG-CD1 4.41Å; W54-L67 PolarHBondContact N-O 2.83Å; W54-L67 PolarHBondContact O-N 3.33Å; W54-F92 AromaticContact CD1-CD1 3.4Å; W54-F92 AromaticContact CD1-CE1 3.28Å; W54-F92 HydrophobicContact CG-CD1 4.46Å; W54-F92 HydrophobicContact CG-CE1 4.28Å; W54-F92 AromaticContact NE1-CD1 3.39Å; W54-F92 AromaticContact NE1-CE1 3.8Å; W54-F92 PolarHBondContact NE1-O 3.32Å; W54-L94 HydrophobicContact CB-CD1 4.27Å; W54-L94 HydrophobicContact CD2-CB 3.91Å; W54-L94 HydrophobicContact CD2-CD1 4.22Å; W54-L94 HydrophobicContact CD2-CD2 3.95Å; W54-L94 HydrophobicContact CD2-CG 4.25Å; W54-L94 HydrophobicContact CE3-CB 4.43Å; W54-L94 HydrophobicContact CE3-CD2 3.99Å; W54-L94 HydrophobicContact CG-CB 4.35Å; W54-L94 HydrophobicContact CG-CD1 3.8Å; W54-L94 HydrophobicContact CG-CD2 4.23Å; W54-L94 HydrophobicContact CG-CG 4.36Å; W54-L94 HydrophobicContact CH2-CB 4.23Å; W54-L94 HydrophobicContact CZ2-CB 3.67Å; W54-L94 HydrophobicContact CZ3-CD2 4.49Å; W54-Y108 WeakPolarHBondContact CA-O 3.1Å; W54-Y108 VanDerWaalsContact CE3-C 3.42Å; W54-Y108 VanDerWaalsContact CE3-O 3.29Å; W54-C109 HydrophobicContact CD2-CB 4.29Å; W54-C109 HydrophobicContact CE3-CB 4.2Å; W54-C109 HydrophobicContact CH2-CB 3.7Å; W54-C109 HydrophobicContact CZ2-CB 3.79Å; W54-C109 HydrophobicContact CZ3-CB 3.91Å
55	Y	98.6	Very high	96.2	Very high	73 Å²	73	58.2 Å²	58.2	29%	0.286	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	149	168	-65.7	-93.8	0	0	0	109.6	F53 P63 Q64 L65 Y107 Y108 A110	F53-Y55 HydrophobicContact CB-CD2 4.15Å; F53-Y55 HydrophobicContact CB-CE2 3.61Å; F53-Y55 HydrophobicContact CG-CE2 4.19Å; Y55-P63 HydrophobicContact CD1-CB 4.39Å; Y55-Q64 CarbonylContact C-O 3.51Å; Y55-Q64 WeakPolarHBondContact CA-O 3.48Å; Y55-L65 HydrophobicContact CD1-CB 4.4Å; Y55-L65 HydrophobicContact CE1-CB 4.17Å; Y55-L65 HydrophobicContact CE1-CD1 4.2Å; Y55-Y107 WeakPolarHBondContact O-CA 3.45Å; Y55-Y108 PolarHBondContact N-O 2.78Å; Y55-Y108 PolarHBondContact O-N 3.09Å; Y55-A110 HydrophobicContact CD2-CB 4.41Å; Y55-A110 HydrophobicContact CE2-CB 4.16Å
56	V	98.5	Very high	96.3	Very high	0 Å²	0	56.9 Å²	56.9	0%	0	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	141.7	168.8	66.4	0	0	0	0	109.2	Y58 Q64 L66 A105 V106 Y107	V56-Y58 HydrophobicContact CG1-CE2 4.03Å; V56-Y58 HydrophobicContact CG2-CE1 4.23Å; V56-Y58 HydrophobicContact CG2-CE2 4.32Å; V56-Q64 HydrophobicContact CG1-CB 4.47Å; V56-Q64 PolarHBondContact N-O 2.02Å; V56-Q64 PolarHBondContact O-N 2.83Å; V56-L66 HydrophobicContact CB-CB 4.43Å; V56-L66 HydrophobicContact CG1-CB 4.31Å; V56-A105 HydrophobicContact CG2-CB 3.36Å; V56-V106 CarbonylContact C-O 3.54Å; V56-V106 WeakPolarHBondContact CA-O 3.47Å; V56-Y107 HydrophobicContact CB-CD1 4.13Å; V56-Y107 HydrophobicContact CB-CE1 4.01Å; V56-Y107 HydrophobicContact CG2-CD1 4.02Å; V56-Y107 HydrophobicContact CG2-CE1 3.6Å
57	Q	98.3	Very high	96.6	Very high	52 Å²	52	55.7 Å²	55.7	24%	0.243	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	108.7	176.2	-176.2	-179.4	16.7	0	0	109.2	E61 A105 V106 Y108	Q57-E61 VanDerWaalsContact CG-O 3.28Å; Q57-E61 WeakPolarHBondContact CG-O 3.45Å; Q57-E61 PolarHBondContact NE2-O 2.81Å; Q57-A105 WeakPolarHBondContact O-CB 3.21Å; Q57-V106 HydrophobicContact CB-CB 4.41Å; Q57-V106 PolarHBondContact N-O 3Å; Q57-V106 PolarHBondContact O-N 2.83Å; Q57-Y108 HydrophobicContact CB-CD2 4.49Å; Q57-Y108 HydrophobicContact CB-CE2 3.76Å; Q57-Y108 VanDerWaalsContact OE1-CE2 3.25Å; Q57-Y108 PolarHBondContact OE1-OH 3.17Å
58	Y	96.6	Very high	97	Very high	43 Å²	43	54.2 Å²	54.2	17%	0.169	31%	0.313	C	S	.	.			trans	-75.4	158.2	172.1	-62.6	-68.8	0	0	0	111.1	V56 G60 E61 R79 I102 A105	V56-Y58 HydrophobicContact CG1-CE2 4.03Å; V56-Y58 HydrophobicContact CG2-CE1 4.23Å; V56-Y58 HydrophobicContact CG2-CE2 4.32Å; Y58-G60 PolarHBondContact O-N 3.39Å; Y58-E61 WeakPolarHBondContact CD2-OE2 3.33Å; Y58-E61 PolarHBondContact O-N 2.92Å; Y58-R79 PolarHBondContact OH-NH1 3.07Å; Y58-I102 WeakPolarHBondContact CE1-O 3.25Å; Y58-A105 HydrophobicContact CD1-CB 3.7Å; Y58-A105 HydrophobicContact CE1-CB 3.82Å; Y58-A105 HydrophobicContact CG-CB 4.49Å
59	S	94.6	Very high	97.4	Very high	127 Å²	127	53.1 Å²	53.1	89%	0.888	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.1	124.9	179.6	-170.7	0	0	0	0	111	E61	S59-E61 VanDerWaalsContact C-N 3.28Å; S59-E61 PolarHBondContact O-N 2.8Å
60	G	95.3	Very high	97.6	Very high	87 Å²	87	48.8 Å²	48.8	90%	0.897	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	80.4	-1.1	-178.9	0	0	0	0	0	115.5	Y58	Y58-G60 PolarHBondContact O-N 3.39Å
61	E	96	Very high	97.7	Very high	93 Å²	93	52 Å²	52	44%	0.435	31%	0.31	S	S	.	.	S	Bend	trans	-107.1	165.7	179	-60.4	-171.7	171.3	0	0	112.4	Q57 Y58 S59 Q64	Q57-E61 VanDerWaalsContact CG-O 3.28Å; Q57-E61 WeakPolarHBondContact CG-O 3.45Å; Q57-E61 PolarHBondContact NE2-O 2.81Å; Y58-E61 WeakPolarHBondContact CD2-OE2 3.33Å; Y58-E61 PolarHBondContact O-N 2.92Å; S59-E61 VanDerWaalsContact C-N 3.28Å; S59-E61 PolarHBondContact O-N 2.8Å; E61-Q64 PolarHBondContact OE2-NE2 3.44Å
62	G	96.8	Very high	97.7	Very high	43 Å²	43	51.7 Å²	51.7	44%	0.443	31%	0.31	S	S	.	.			trans	-82	164	168.4	0	0	0	0	0	112.2	Q64	G62-Q64 PolarHBondContact O-N 2.94Å
63	P	97.5	Very high	97.6	Very high	79 Å²	79	56.7 Å²	56.7	51%	0.513	34%	0.337	S	S	.	.			trans	-58.5	131.1	173.7	-23.6	34	0	0	0	112.3	Y55	Y55-P63 HydrophobicContact CD1-CB 4.39Å
64	Q	98.4	Very high	97.6	Very high	79 Å²	79	59.4 Å²	59.4	37%	0.369	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	141.6	177.9	-64.9	171.8	23.4	0	0	109.9	Y55 V56 E61 G62 L66	Y55-Q64 CarbonylContact C-O 3.51Å; Y55-Q64 WeakPolarHBondContact CA-O 3.48Å; V56-Q64 HydrophobicContact CG1-CB 4.47Å; V56-Q64 PolarHBondContact N-O 2.02Å; V56-Q64 PolarHBondContact O-N 2.83Å; E61-Q64 PolarHBondContact OE2-NE2 3.44Å; G62-Q64 PolarHBondContact O-N 2.94Å; Q64-L66 PolarHBondContact O-N 2.85Å
65	L	98.4	Very high	97.6	Very high	83 Å²	83	65 Å²	65	44%	0.435	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.7	119.8	176.6	-178.9	64.2	0	0	0	109.6	F53 Y55 Q68	F53-L65 HydrophobicContact CB-CD1 4.44Å; F53-L65 HydrophobicContact CD1-CD1 3.89Å; Y55-L65 HydrophobicContact CD1-CB 4.4Å; Y55-L65 HydrophobicContact CE1-CB 4.17Å; Y55-L65 HydrophobicContact CE1-CD1 4.2Å; L65-Q68 HydrophobicContact CD1-CB 4.39Å
66	L	98.5	Very high	97.6	Very high	6 Å²	6	62 Å²	62	3%	0.031	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	-55.5	173.2	176.1	60.3	0	0	0	110	W54 V56 Q64 S78 F81 L94 Y107	W54-L66 HydrophobicContact CB-CB 4.31Å; W54-L66 HydrophobicContact CB-CD2 4.36Å; W54-L66 WeakPolarHBondContact O-CA 3.35Å; W54-L66 WeakPolarHBondContact O-CB 3.29Å; W54-L66 PolarHBondContact O-N 3.03Å; V56-L66 HydrophobicContact CB-CB 4.43Å; V56-L66 HydrophobicContact CG1-CB 4.31Å; Q64-L66 PolarHBondContact O-N 2.85Å; L66-S78 WeakPolarHBondContact O-CB 3.21Å; L66-S78 PolarHBondContact O-OG 2.8Å; L66-F81 HydrophobicContact CD1-CB 4.47Å; L66-F81 HydrophobicContact CD1-CD2 3.85Å; L66-F81 HydrophobicContact CD1-CE2 4.45Å; L66-F81 HydrophobicContact CD1-CG 4.32Å; L66-F81 HydrophobicContact CD2-CB 4.02Å; L66-F81 HydrophobicContact CD2-CD1 4.12Å; L66-F81 HydrophobicContact CD2-CD2 4.07Å; L66-F81 HydrophobicContact CD2-CG 3.81Å; L66-F81 HydrophobicContact CG-CB 4.45Å; L66-L94 HydrophobicContact CD2-CD1 4.17Å; L66-L94 HydrophobicContact CD2-CD2 3.88Å; L66-Y107 HydrophobicContact CD2-CD1 4.07Å; L66-Y107 HydrophobicContact CD2-CE1 3.97Å
67	L	98.4	Very high	97.6	Very high	9 Å²	9	65.6 Å²	65.6	5%	0.047	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.1	160.2	176.3	57.6	81.6	0	0	0	111.5	W54 F81 A83 F92 L94	W54-L67 HydrophobicContact CB-CD1 4.13Å; W54-L67 HydrophobicContact CB-CG 4.19Å; W54-L67 HydrophobicContact CG-CD1 4.41Å; W54-L67 PolarHBondContact N-O 2.83Å; W54-L67 PolarHBondContact O-N 3.33Å; L67-F81 HydrophobicContact CD2-CB 4.3Å; L67-A83 HydrophobicContact CD1-CB 3.83Å; L67-A83 HydrophobicContact CD2-CB 4.48Å; L67-F92 HydrophobicContact CD1-CE1 3.8Å; L67-F92 HydrophobicContact CD1-CZ 3.52Å; L67-L94 HydrophobicContact CD2-CD1 3.99Å
68	Q	98.3	Very high	97.6	Very high	99 Å²	99	64.9 Å²	64.9	46%	0.463	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	150.7	173.7	66.7	175.8	60	0	0	111.5	L52 F53 L65	L52-Q68 CarbonylContact O-C 3.48Å; L52-Q68 WeakPolarHBondContact O-CA 3.45Å; F53-Q68 HydrophobicContact CD1-CB 3.59Å; F53-Q68 HydrophobicContact CE1-CB 3.88Å; F53-Q68 HydrophobicContact CG-CB 4.45Å; L65-Q68 HydrophobicContact CD1-CB 4.39Å
69	V	98.6	Very high	97.6	Very high	10 Å²	10	68.2 Å²	68.2	6%	0.061	41%	0.407	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	126.8	173.3	-177.2	0	0	0	0	109.4	L52 T71 N74 Y85 F92	L52-V69 PolarHBondContact N-O 3.46Å; L52-V69 PolarHBondContact O-N 2.85Å; V69-T71 WeakPolarHBondContact CG1-O 3.4Å; V69-N74 HydrophobicContact CG1-CB 3.91Å; V69-Y85 HydrophobicContact CG1-CD1 4.21Å; V69-F92 HydrophobicContact CB-CE2 3.84Å; V69-F92 HydrophobicContact CB-CZ 4.01Å; V69-F92 HydrophobicContact CG2-CE2 3.7Å; V69-F92 HydrophobicContact CG2-CZ 3.76Å
70	T	97.8	Very high	97.7	Very high	79 Å²	79	64.2 Å²	64.2	49%	0.485	39%	0.386	S	S	.	.			trans	-100.2	-24.4	-179.1	54.4	0	0	0	0	113	T51	T51-T70 HydrophobicContact CG2-CG2 3.58Å
71	T	97.7	Very high	97.9	Very high	72 Å²	72	60.1 Å²	60.1	44%	0.442	34%	0.344	S	S	.	.	S	Bend	trans	-104.4	125.4	-172	-54.2	0	0	0	0	110	V69 N73 N74 Y85	V69-T71 WeakPolarHBondContact CG1-O 3.4Å; T71-N73 PolarHBondContact O-N 2.94Å; T71-N74 VanDerWaalsContact CB-ND2 3.35Å; T71-N74 WeakPolarHBondContact CB-ND2 3.31Å; T71-N74 WeakPolarHBondContact O-CB 3.29Å; T71-N74 PolarHBondContact O-N 2.92Å; T71-N74 VanDerWaalsContact O-N 3.16Å; T71-Y85 VanDerWaalsContact C-CD1 3.43Å; T71-Y85 WeakPolarHBondContact O-CD1 3.2Å
72	A	96.9	Very high	98	Very high	23 Å²	23	58.3 Å²	58.3	19%	0.19	34%	0.335	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54.6	138.3	176.2	0	0	0	0	0	111.6	N74 Y85 K87	A72-N74 PolarHBondContact O-N 2.77Å; A72-Y85 HydrophobicContact CB-CD1 4.48Å; A72-Y85 HydrophobicContact CB-CE1 4.1Å; A72-Y85 HydrophobicContact CB-CE2 4.18Å; A72-K87 HydrophobicContact CB-CB 4.02Å; A72-K87 HydrophobicContact CB-CD 4.11Å
73	N	97.3	Very high	98.1	Very high	107 Å²	107	56.4 Å²	56.4	57%	0.572	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.1	9.2	-178.6	-47.8	-45.6	0	0	0	115.2	T71 Y85 K87	T71-N73 PolarHBondContact O-N 2.94Å; N73-Y85 WeakPolarHBondContact CA-O 3.33Å; N73-Y85 PolarHBondContact N-O 3.45Å; N73-K87 PolarHBondContact OD1-N 2.76Å
74	N	98.3	Very high	98.2	Very high	84 Å²	84	55.5 Å²	55.5	45%	0.449	31%	0.308	S	S	.	.	P	Polyproline II helix	trans	-86.2	154.8	169.8	-73.8	4	0	0	0	111.3	V69 T71 A72 Y85	V69-N74 HydrophobicContact CG1-CB 3.91Å; T71-N74 VanDerWaalsContact CB-ND2 3.35Å; T71-N74 WeakPolarHBondContact CB-ND2 3.31Å; T71-N74 WeakPolarHBondContact O-CB 3.29Å; T71-N74 PolarHBondContact O-N 2.92Å; T71-N74 VanDerWaalsContact O-N 3.16Å; A72-N74 PolarHBondContact O-N 2.77Å; N74-Y85 PolarHBondContact O-N 2.73Å
75	K	98.4	Very high	98.2	Very high	117 Å²	117	51.8 Å²	51.8	51%	0.509	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	132.4	175.2	-173.1	-177.6	-174.4	-174.1	0	110	E82 A83	K75-E82 VanDerWaalsContact CE-OE1 3.3Å; K75-E82 WeakPolarHBondContact CE-OE1 3.37Å; K75-E82 WeakPolarHBondContact CE-OE2 3.41Å; K75-E82 IonicContact NZ-OE1 2.73Å; K75-E82 PolarHBondContact NZ-OE1 2.82Å; K75-E82 IonicContact NZ-OE2 2.66Å; K75-E82 PolarHBondContact NZ-OE2 2.95Å; K75-A83 WeakPolarHBondContact CA-O 3.32Å
76	G	98.2	Very high	98.1	Very high	10 Å²	10	50.2 Å²	50.2	10%	0.103	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	150.7	167.7	0	0	0	0	0	110.5	E82 A83	G76-E82 WeakPolarHBondContact O-CA 3.44Å; G76-A83 PolarHBondContact N-O 3.39Å; G76-A83 PolarHBondContact O-N 2.98Å
77	S	98.4	Very high	98	Very high	75 Å²	75	53.8 Å²	53.8	52%	0.524	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.5	144.5	173.3	-177.7	0	0	0	0	111.5	F81	S77-F81 CarbonylContact C-O 3.6Å; S77-F81 WeakPolarHBondContact CA-O 3.21Å; S77-F81 WeakPolarHBondContact CB-O 3.04Å; S77-F81 PolarHBondContact OG-O 2.82Å
78	S	98.4	Very high	97.9	Very high	38 Å²	38	56.8 Å²	56.8	27%	0.266	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-161.7	134	176.1	178.9	0	0	0	0	109.7	L66 G80 F81	L66-S78 WeakPolarHBondContact O-CB 3.21Å; L66-S78 PolarHBondContact O-OG 2.8Å; S78-G80 PolarHBondContact O-N 3.45Å; S78-G80 VanDerWaalsContact O-N 3.09Å; S78-F81 PolarHBondContact N-O 3.04Å; S78-F81 WeakPolarHBondContact O-CA 3.23Å; S78-F81 WeakPolarHBondContact O-CB 3.42Å; S78-F81 PolarHBondContact O-N 2.91Å
79	R	97	Very high	97.9	Very high	112 Å²	112	55.8 Å²	55.8	42%	0.423	33%	0.332	S	S	.	.	T	Hydrogen-bonded Turn	trans	51.1	34.7	177.7	-61.7	-174.6	-75.1	170.5	-8.2	114.4	Y58 F81 K96	Y58-R79 PolarHBondContact OH-NH1 3.07Å; R79-F81 HydrophobicContact CB-CD2 4.25Å; R79-F81 WeakPolarHBondContact O-CD2 2.98Å; R79-F81 PolarHBondContact O-N 3.05Å; R79-K96 PolarHBondContact O-NZ 3.16Å
80	G	97.7	Very high	97.8	Very high	44 Å²	44	58.3 Å²	58.3	45%	0.454	35%	0.348	S	S	.	.	T	Hydrogen-bonded Turn	trans	77.6	-2.2	-177.6	0	0	0	0	0	114.9	S78	S78-G80 PolarHBondContact O-N 3.45Å; S78-G80 VanDerWaalsContact O-N 3.09Å
81	F	98.6	Very high	97.8	Very high	1 Å²	1	54.8 Å²	54.8	0%	0.004	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	149.9	168	-63.8	-93.9	0	0	0	110.4	L38 L66 L67 S77 S78 R79 L94 Q95 K96 D103 Y107	L38-F81 HydrophobicContact CD2-CD1 4.26Å; L38-F81 HydrophobicContact CD2-CE1 3.63Å; L66-F81 HydrophobicContact CD1-CB 4.47Å; L66-F81 HydrophobicContact CD1-CD2 3.85Å; L66-F81 HydrophobicContact CD1-CE2 4.45Å; L66-F81 HydrophobicContact CD1-CG 4.32Å; L66-F81 HydrophobicContact CD2-CB 4.02Å; L66-F81 HydrophobicContact CD2-CD1 4.12Å; L66-F81 HydrophobicContact CD2-CD2 4.07Å; L66-F81 HydrophobicContact CD2-CG 3.81Å; L66-F81 HydrophobicContact CG-CB 4.45Å; L67-F81 HydrophobicContact CD2-CB 4.3Å; S77-F81 CarbonylContact C-O 3.6Å; S77-F81 WeakPolarHBondContact CA-O 3.21Å; S77-F81 WeakPolarHBondContact CB-O 3.04Å; S77-F81 PolarHBondContact OG-O 2.82Å; S78-F81 PolarHBondContact N-O 3.04Å; S78-F81 WeakPolarHBondContact O-CA 3.23Å; S78-F81 WeakPolarHBondContact O-CB 3.42Å; S78-F81 PolarHBondContact O-N 2.91Å; R79-F81 HydrophobicContact CB-CD2 4.25Å; R79-F81 WeakPolarHBondContact O-CD2 2.98Å; R79-F81 PolarHBondContact O-N 3.05Å; F81-L94 HydrophobicContact CB-CD1 3.93Å; F81-L94 HydrophobicContact CB-CG 4.49Å; F81-L94 HydrophobicContact CD1-CD1 4.29Å; F81-L94 HydrophobicContact CD1-CD2 3.8Å; F81-L94 HydrophobicContact CD1-CG 3.96Å; F81-L94 HydrophobicContact CE1-CD2 4.32Å; F81-Q95 CarbonylContact C-O 3.56Å; F81-Q95 VanDerWaalsContact CA-O 3.29Å; F81-Q95 WeakPolarHBondContact CA-O 3.24Å; F81-K96 HydrophobicContact CD1-CB 3.83Å; F81-K96 HydrophobicContact CD1-CD 3.95Å; F81-K96 HydrophobicContact CD2-CD 3.94Å; F81-K96 HydrophobicContact CE1-CB 4.02Å; F81-K96 HydrophobicContact CE1-CD 3.68Å; F81-K96 HydrophobicContact CE2-CD 3.65Å; F81-K96 HydrophobicContact CG-CB 4.38Å; F81-K96 HydrophobicContact CG-CD 4.07Å; F81-K96 HydrophobicContact CZ-CD 3.5Å; F81-K96 VanDerWaalsContact CZ-CD 3.5Å; F81-D103 WeakPolarHBondContact CE2-OD1 3.34Å; F81-D103 HydrophobicContact CZ-CB 4.07Å; F81-D103 WeakPolarHBondContact CZ-OD1 3.45Å; F81-Y107 HydrophobicContact CD1-CE1 4.36Å; F81-Y107 AromaticContact CE1-CE1 3.65Å; F81-Y107 HydrophobicContact CE1-CE1 3.65Å; F81-Y107 AromaticContact CE1-CZ 3.84Å; F81-Y107 AromaticContact CZ-CE1 3.8Å; F81-Y107 HydrophobicContact CZ-CE1 3.8Å; F81-Y107 AromaticContact CZ-CZ 3.8Å; F81-Y107 WeakPolarHBondContact CZ-OH 3.35Å
82	E	98.8	Very high	97.9	Very high	55 Å²	55	51.3 Å²	51.3	26%	0.257	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	141.5	-178	-58.9	-171.4	133.5	0	0	110.2	K75 G76 L94 Q95	K75-E82 VanDerWaalsContact CE-OE1 3.3Å; K75-E82 WeakPolarHBondContact CE-OE1 3.37Å; K75-E82 WeakPolarHBondContact CE-OE2 3.41Å; K75-E82 IonicContact NZ-OE1 2.73Å; K75-E82 PolarHBondContact NZ-OE1 2.82Å; K75-E82 IonicContact NZ-OE2 2.66Å; K75-E82 PolarHBondContact NZ-OE2 2.95Å; G76-E82 WeakPolarHBondContact O-CA 3.44Å; E82-L94 CarbonylContact O-C 3.56Å; E82-Q95 PolarHBondContact N-O 3.46Å; E82-Q95 PolarHBondContact O-N 2.98Å
83	A	98.7	Very high	98	Very high	2 Å²	2	52.2 Å²	52.2	2%	0.017	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146	140.2	170.4	0	0	0	0	0	110.1	L67 K75 G76 F92 H93 L94	L67-A83 HydrophobicContact CD1-CB 3.83Å; L67-A83 HydrophobicContact CD2-CB 4.48Å; K75-A83 WeakPolarHBondContact CA-O 3.32Å; G76-A83 PolarHBondContact N-O 3.39Å; G76-A83 PolarHBondContact O-N 2.98Å; A83-F92 HydrophobicContact CB-CD1 4.37Å; A83-F92 HydrophobicContact CB-CD2 3.96Å; A83-F92 HydrophobicContact CB-CE1 4.09Å; A83-F92 HydrophobicContact CB-CE2 3.62Å; A83-F92 HydrophobicContact CB-CG 4.32Å; A83-F92 HydrophobicContact CB-CZ 3.7Å; A83-H93 WeakPolarHBondContact CA-O 3.49Å; A83-H93 WeakPolarHBondContact CB-O 3.42Å; A83-L94 HydrophobicContact CB-CD1 4.26Å
84	T	98.7	Very high	98	Very high	61 Å²	61	47.1 Å²	47.1	37%	0.374	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	126.8	177.1	-59.2	0	0	0	0	108.7	D86 F92	T84-D86 VanDerWaalsContact C-N 3.3Å; T84-D86 PolarHBondContact O-N 2.9Å; T84-F92 WeakPolarHBondContact O-CD2 3.36Å
85	Y	98.4	Very high	98	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	27%	0.271	C	S	.	.			trans	-72.9	87.9	169.2	175.9	178.3	0	0	0	108	Y44 P50 L52 V69 T71 A72 N73 N74 K87	Y44-Y85 HydrophobicContact CE1-CD2 4.41Å; Y44-Y85 HydrophobicContact CE1-CE2 4.31Å; Y44-Y85 AromaticContact CZ-CE2 3.88Å; Y44-Y85 WeakPolarHBondContact OH-CE2 3.48Å; P50-Y85 WeakPolarHBondContact CD-OH 3.28Å; P50-Y85 WeakPolarHBondContact O-CE1 3.41Å; L52-Y85 HydrophobicContact CD1-CD1 3.9Å; L52-Y85 HydrophobicContact CD1-CD2 3.3Å; L52-Y85 HydrophobicContact CD1-CE1 4.31Å; L52-Y85 HydrophobicContact CD1-CE2 3.82Å; L52-Y85 HydrophobicContact CD1-CG 3.4Å; L52-Y85 HydrophobicContact CG-CD1 4.49Å; L52-Y85 HydrophobicContact CG-CG 4.42Å; V69-Y85 HydrophobicContact CG1-CD1 4.21Å; T71-Y85 VanDerWaalsContact C-CD1 3.43Å; T71-Y85 WeakPolarHBondContact O-CD1 3.2Å; A72-Y85 HydrophobicContact CB-CD1 4.48Å; A72-Y85 HydrophobicContact CB-CE1 4.1Å; A72-Y85 HydrophobicContact CB-CE2 4.18Å; N73-Y85 WeakPolarHBondContact CA-O 3.33Å; N73-Y85 PolarHBondContact N-O 3.45Å; N74-Y85 PolarHBondContact O-N 2.73Å; Y85-K87 HydrophobicContact CE2-CB 4.14Å; Y85-K87 PolarHBondContact O-N 3.17Å
86	D	98.1	Very high	98	Very high	51 Å²	51	41.6 Å²	41.6	27%	0.273	25%	0.251	S	S	.	.	B	Isolated β-bridge	trans	-87.5	110.3	175.2	-175.2	-16.4	0	0	0	109.9	Y44 T84 G88 T89 T90 S91	Y44-D86 PolarHBondContact OH-O 3.4Å; T84-D86 VanDerWaalsContact C-N 3.3Å; T84-D86 PolarHBondContact O-N 2.9Å; D86-G88 WeakPolarHBondContact OD1-CA 3.46Å; D86-G88 PolarHBondContact OD1-N 2.87Å; D86-T89 WeakPolarHBondContact CB-OG1 3.33Å; D86-T89 PolarHBondContact OD1-N 2.82Å; D86-T89 PolarHBondContact OD1-OG1 3.11Å; D86-T89 WeakPolarHBondContact OD2-CG2 3.33Å; D86-T89 PolarHBondContact OD2-OG1 3.48Å; D86-T90 WeakPolarHBondContact O-CA 3.27Å; D86-T90 PolarHBondContact O-N 2.68Å; D86-T90 VanDerWaalsContact O-N 3.15Å; D86-S91 PolarHBondContact N-O 2.94Å; D86-S91 PolarHBondContact O-N 2.95Å
87	K	96.1	Very high	98	Very high	81 Å²	81	46.1 Å²	46.1	35%	0.352	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.4	-29.2	177.4	-170.6	-178.5	178.7	-165	0	112.4	Y49 A72 N73 Y85	Y49-K87 HydrophobicContact CD1-CD 4.37Å; Y49-K87 HydrophobicContact CE1-CD 3.94Å; Y49-K87 PolarHBondContact OH-NZ 3.31Å; A72-K87 HydrophobicContact CB-CB 4.02Å; A72-K87 HydrophobicContact CB-CD 4.11Å; N73-K87 PolarHBondContact OD1-N 2.76Å; Y85-K87 HydrophobicContact CE2-CB 4.14Å; Y85-K87 PolarHBondContact O-N 3.17Å
88	G	96.3	Very high	98	Very high	72 Å²	72	44.5 Å²	44.5	74%	0.742	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.5	-40.9	-179	0	0	0	0	0	112.1	D86	D86-G88 WeakPolarHBondContact OD1-CA 3.46Å; D86-G88 PolarHBondContact OD1-N 2.87Å
89	T	97.4	Very high	98	Very high	77 Å²	77	43.3 Å²	43.3	47%	0.472	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.6	1.3	177.4	62.3	0	0	0	0	113.8	D86 S91	D86-T89 WeakPolarHBondContact CB-OG1 3.33Å; D86-T89 PolarHBondContact OD1-N 2.82Å; D86-T89 PolarHBondContact OD1-OG1 3.11Å; D86-T89 WeakPolarHBondContact OD2-CG2 3.33Å; D86-T89 PolarHBondContact OD2-OG1 3.48Å; T89-S91 VanDerWaalsContact C-N 3.34Å; T89-S91 PolarHBondContact O-N 3.29Å; T89-S91 PolarHBondContact OG1-OG 3.43Å
90	T	97.3	Very high	98	Very high	64 Å²	64	43.1 Å²	43.1	39%	0.393	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	51.1	51.2	-175.5	55.7	0	0	0	0	112.3	T43 Y44 D86	T43-T90 CarbonylContact C-O 3.58Å; T43-T90 VanDerWaalsContact CA-O 3.25Å; T43-T90 WeakPolarHBondContact CA-O 3.45Å; T43-T90 WeakPolarHBondContact CB-O 3.46Å; Y44-T90 WeakPolarHBondContact CD1-O 3.44Å; Y44-T90 HydrophobicContact CE2-CG2 4.45Å; Y44-T90 PolarHBondContact N-O 3.26Å; Y44-T90 WeakPolarHBondContact O-CB 3.04Å; D86-T90 WeakPolarHBondContact O-CA 3.27Å; D86-T90 PolarHBondContact O-N 2.68Å; D86-T90 VanDerWaalsContact O-N 3.15Å
91	S	98.3	Very high	97.9	Very high	4 Å²	4	47.7 Å²	47.7	3%	0.028	27%	0.27	C	S	.	.	B	Isolated β-bridge	trans	-134.6	159.7	-171.4	75.9	0	0	0	0	115	C42 D86 T89 H93	C42-S91 WeakPolarHBondContact O-CA 3.44Å; C42-S91 WeakPolarHBondContact O-CB 3.45Å; D86-S91 PolarHBondContact N-O 2.94Å; D86-S91 PolarHBondContact O-N 2.95Å; T89-S91 VanDerWaalsContact C-N 3.34Å; T89-S91 PolarHBondContact O-N 3.29Å; T89-S91 PolarHBondContact OG1-OG 3.43Å; S91-H93 WeakPolarHBondContact CB-NE2 3.15Å; S91-H93 PolarHBondContact OG-CD2 3.18Å; S91-H93 VanDerWaalsContact OG-CD2 3.3Å; S91-H93 PolarHBondContact OG-NE2 3.02Å
92	F	98.5	Very high	97.7	Very high	0 Å²	0	53.7 Å²	53.7	0%	0	30%	0.301	C	S	.	.			trans	-148.1	52	177.5	-160.5	-128.5	0	0	0	111.2	C42 L52 W54 L67 V69 A83 T84 L94	C42-F92 PolarHBondContact O-N 3.5Å; L52-F92 HydrophobicContact CB-CB 4.36Å; L52-F92 HydrophobicContact CB-CD1 3.59Å; L52-F92 HydrophobicContact CB-CD2 3.94Å; L52-F92 HydrophobicContact CB-CE1 3.72Å; L52-F92 HydrophobicContact CB-CE2 4.1Å; L52-F92 HydrophobicContact CB-CG 3.7Å; L52-F92 HydrophobicContact CB-CZ 3.98Å; L52-F92 HydrophobicContact CD1-CB 3.95Å; L52-F92 HydrophobicContact CD1-CD2 3.91Å; L52-F92 HydrophobicContact CD1-CG 3.94Å; L52-F92 HydrophobicContact CG-CG 4.37Å; W54-F92 AromaticContact CD1-CD1 3.4Å; W54-F92 AromaticContact CD1-CE1 3.28Å; W54-F92 HydrophobicContact CG-CD1 4.46Å; W54-F92 HydrophobicContact CG-CE1 4.28Å; W54-F92 AromaticContact NE1-CD1 3.39Å; W54-F92 AromaticContact NE1-CE1 3.8Å; W54-F92 PolarHBondContact NE1-O 3.32Å; L67-F92 HydrophobicContact CD1-CE1 3.8Å; L67-F92 HydrophobicContact CD1-CZ 3.52Å; V69-F92 HydrophobicContact CB-CE2 3.84Å; V69-F92 HydrophobicContact CB-CZ 4.01Å; V69-F92 HydrophobicContact CG2-CE2 3.7Å; V69-F92 HydrophobicContact CG2-CZ 3.76Å; A83-F92 HydrophobicContact CB-CD1 4.37Å; A83-F92 HydrophobicContact CB-CD2 3.96Å; A83-F92 HydrophobicContact CB-CE1 4.09Å; A83-F92 HydrophobicContact CB-CE2 3.62Å; A83-F92 HydrophobicContact CB-CG 4.32Å; A83-F92 HydrophobicContact CB-CZ 3.7Å; T84-F92 WeakPolarHBondContact O-CD2 3.36Å; F92-L94 PolarHBondContact O-N 2.88Å
93	H	98.6	Very high	97.6	Very high	42 Å²	42	51.8 Å²	51.8	19%	0.194	29%	0.292	C	S	.	.			trans	-60.5	134	-177.2	-54.3	-77.1	0	0	0	111.6	F39 I40 N41 C42 A83 S91	F39-H93 HydrophobicContact CE2-CB 3.97Å; F39-H93 HydrophobicContact CZ-CB 3.89Å; F39-H93 AromaticContact CZ-CG 3.81Å; F39-H93 AromaticContact CZ-ND1 3.89Å; I40-H93 WeakPolarHBondContact O-CA 3.15Å; N41-H93 WeakPolarHBondContact CA-ND1 3.25Å; N41-H93 PolarHBondContact OD1-CE1 3.3Å; N41-H93 PolarHBondContact OD1-ND1 2.94Å; C42-H93 PolarHBondContact N-ND1 2.92Å; A83-H93 WeakPolarHBondContact CA-O 3.49Å; A83-H93 WeakPolarHBondContact CB-O 3.42Å; S91-H93 WeakPolarHBondContact CB-NE2 3.15Å; S91-H93 PolarHBondContact OG-CD2 3.18Å; S91-H93 VanDerWaalsContact OG-CD2 3.3Å; S91-H93 PolarHBondContact OG-NE2 3.02Å
94	L	98.6	Very high	97.6	Very high	0 Å²	0	56.2 Å²	56.2	0%	0	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	136.1	173.3	-165.4	64.9	0	0	0	109.8	F39 I40 W54 L66 L67 F81 E82 A83 F92 Y107	F39-L94 CarbonylContact C-O 3.51Å; F39-L94 WeakPolarHBondContact CA-O 3.19Å; I40-L94 HydrophobicContact CB-CB 4.23Å; I40-L94 HydrophobicContact CD1-CD2 4.34Å; I40-L94 PolarHBondContact N-O 3Å; I40-L94 PolarHBondContact O-N 2.85Å; W54-L94 HydrophobicContact CB-CD1 4.27Å; W54-L94 HydrophobicContact CD2-CB 3.91Å; W54-L94 HydrophobicContact CD2-CD1 4.22Å; W54-L94 HydrophobicContact CD2-CD2 3.95Å; W54-L94 HydrophobicContact CD2-CG 4.25Å; W54-L94 HydrophobicContact CE3-CB 4.43Å; W54-L94 HydrophobicContact CE3-CD2 3.99Å; W54-L94 HydrophobicContact CG-CB 4.35Å; W54-L94 HydrophobicContact CG-CD1 3.8Å; W54-L94 HydrophobicContact CG-CD2 4.23Å; W54-L94 HydrophobicContact CG-CG 4.36Å; W54-L94 HydrophobicContact CH2-CB 4.23Å; W54-L94 HydrophobicContact CZ2-CB 3.67Å; W54-L94 HydrophobicContact CZ3-CD2 4.49Å; L66-L94 HydrophobicContact CD2-CD1 4.17Å; L66-L94 HydrophobicContact CD2-CD2 3.88Å; L67-L94 HydrophobicContact CD2-CD1 3.99Å; F81-L94 HydrophobicContact CB-CD1 3.93Å; F81-L94 HydrophobicContact CB-CG 4.49Å; F81-L94 HydrophobicContact CD1-CD1 4.29Å; F81-L94 HydrophobicContact CD1-CD2 3.8Å; F81-L94 HydrophobicContact CD1-CG 3.96Å; F81-L94 HydrophobicContact CE1-CD2 4.32Å; E82-L94 CarbonylContact O-C 3.56Å; A83-L94 HydrophobicContact CB-CD1 4.26Å; F92-L94 PolarHBondContact O-N 2.88Å; L94-Y107 HydrophobicContact CD2-CD1 3.63Å; L94-Y107 HydrophobicContact CD2-CE1 4.16Å; L94-Y107 HydrophobicContact CD2-CG 4.29Å
95	Q	98.4	Very high	97.5	Very high	67 Å²	67	54.8 Å²	54.8	31%	0.313	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	149.6	179.7	-50.9	-175.1	6.7	0	0	110.5	F37 L38 F39 F81 E82	F37-Q95 HydrophobicContact CE2-CB 4.34Å; F37-Q95 HydrophobicContact CZ-CB 4.14Å; F37-Q95 HydrophobicContact CZ-CG 4.33Å; L38-Q95 VanDerWaalsContact O-CA 3.27Å; L38-Q95 WeakPolarHBondContact O-CA 3.3Å; F39-Q95 HydrophobicContact CD2-CG 3.71Å; F39-Q95 HydrophobicContact CE2-CG 4.08Å; F81-Q95 CarbonylContact C-O 3.56Å; F81-Q95 VanDerWaalsContact CA-O 3.29Å; F81-Q95 WeakPolarHBondContact CA-O 3.24Å; E82-Q95 PolarHBondContact N-O 3.46Å; E82-Q95 PolarHBondContact O-N 2.98Å
96	K	98.4	Very high	97.5	Very high	18 Å²	18	58.3 Å²	58.3	8%	0.078	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.1	128.6	167.1	178.6	162.1	-178.7	162.6	0	109.3	F37 L38 R79 F81 S98 V99 D103	F37-K96 WeakPolarHBondContact CD2-O 3.32Å; L38-K96 HydrophobicContact CB-CB 4.17Å; L38-K96 HydrophobicContact CD2-CB 4.37Å; L38-K96 PolarHBondContact N-O 2.9Å; L38-K96 PolarHBondContact O-N 2.69Å; R79-K96 PolarHBondContact O-NZ 3.16Å; F81-K96 HydrophobicContact CD1-CB 3.83Å; F81-K96 HydrophobicContact CD1-CD 3.95Å; F81-K96 HydrophobicContact CD2-CD 3.94Å; F81-K96 HydrophobicContact CE1-CB 4.02Å; F81-K96 HydrophobicContact CE1-CD 3.68Å; F81-K96 HydrophobicContact CE2-CD 3.65Å; F81-K96 HydrophobicContact CG-CB 4.38Å; F81-K96 HydrophobicContact CG-CD 4.07Å; F81-K96 HydrophobicContact CZ-CD 3.5Å; F81-K96 VanDerWaalsContact CZ-CD 3.5Å; K96-S98 VanDerWaalsContact C-N 3.33Å; K96-S98 WeakPolarHBondContact CE-O 3.11Å; K96-S98 PolarHBondContact O-N 2.97Å; K96-V99 HydrophobicContact CG-CG1 4.49Å; K96-D103 WeakPolarHBondContact CE-OD2 3.47Å; K96-D103 IonicContact NZ-OD1 2.7Å; K96-D103 PolarHBondContact NZ-OD1 3.32Å; K96-D103 IonicContact NZ-OD2 2.84Å; K96-D103 PolarHBondContact NZ-OD2 3.07Å
97	T	98	Very high	97.5	Very high	105 Å²	105	57 Å²	57	64%	0.644	33%	0.33	S	S	*	.	S	Bend	trans	-64.6	-36.3	-171.3	-51.4	0	0	0	0	113.5
98	S	97.8	Very high	97.5	Very high	40 Å²	40	57.4 Å²	57.4	28%	0.28	33%	0.33	S	S	.	.	S	Bend	trans	-147.7	116.1	-179.2	155.7	0	0	0	0	108	N35 D36 K96	N35-S98 WeakPolarHBondContact CA-OG 3.21Å; N35-S98 PolarHBondContact OD1-OG 3.29Å; D36-S98 WeakPolarHBondContact O-CA 3.43Å; K96-S98 VanDerWaalsContact C-N 3.33Å; K96-S98 WeakPolarHBondContact CE-O 3.11Å; K96-S98 PolarHBondContact O-N 2.97Å
99	V	97.9	Very high	97.6	Very high	13 Å²	13	54.5 Å²	54.5	8%	0.079	30%	0.298	C	S	.	.			trans	-84.7	150.8	176.3	-63.5	0	0	0	0	111.9	L32 S33 E34 N35 D36 L38 K96 D103	L32-V99 HydrophobicContact CB-CG2 4.14Å; L32-V99 HydrophobicContact CD1-CG1 4.49Å; L32-V99 HydrophobicContact CD1-CG2 4.45Å; S33-V99 WeakPolarHBondContact O-CG2 3.32Å; E34-V99 WeakPolarHBondContact CA-O 3.48Å; N35-V99 PolarHBondContact N-O 3.47Å; D36-V99 HydrophobicContact CB-CG2 4.33Å; D36-V99 PolarHBondContact O-N 2.99Å; L38-V99 HydrophobicContact CB-CG1 3.52Å; L38-V99 HydrophobicContact CD2-CG1 4.26Å; L38-V99 HydrophobicContact CG-CG1 4.43Å; K96-V99 HydrophobicContact CG-CG1 4.49Å; V99-D103 WeakPolarHBondContact CA-OD2 3.17Å
100	Q	97.5	Very high	97.7	Very high	109 Å²	109	52.3 Å²	52.3	51%	0.509	29%	0.288	S	S	.	.			trans	-124.6	164.4	173.4	-65.8	173.6	46.7	0	0	109.6	I102 D103	Q100-I102 HydrophobicContact CB-CG2 4.26Å; Q100-I102 PolarHBondContact O-N 3.21Å; Q100-I102 VanDerWaalsContact O-N 3.08Å; Q100-D103 PolarHBondContact N-OD2 3.36Å; Q100-D103 VanDerWaalsContact O-CB 3.25Å; Q100-D103 WeakPolarHBondContact O-CB 3.39Å; Q100-D103 PolarHBondContact O-N 3.46Å
101	E	95.8	Very high	97.6	Very high	139 Å²	139	51.2 Å²	51.2	65%	0.65	28%	0.279	S	S	*	.	G	3₁₀ helix	trans	-51.7	-34.8	177	-75.4	-66.7	146.2	0	0	113.4	E34 D103 S104	E34-E101 HydrophobicContact CG-CG 4.24Å; E34-E101 WeakPolarHBondContact OE1-CG 3.39Å; E34-E101 PolarHBondContact OE1-N 2.66Å; E101-D103 PolarHBondContact O-N 3.22Å; E101-D103 VanDerWaalsContact O-N 3.15Å; E101-S104 VanDerWaalsContact O-CB 3.22Å; E101-S104 WeakPolarHBondContact O-CB 3.18Å; E101-S104 PolarHBondContact O-N 3.23Å
102	I	95	Very high	97.4	Very high	128 Å²	128	56.3 Å²	56.3	66%	0.656	32%	0.315	S	S	*	.	G	3₁₀ helix	trans	-67.6	-12.1	177.9	-156.9	166.5	0	0	0	113.8	Y58 Q100 S104	Y58-I102 WeakPolarHBondContact CE1-O 3.25Å; Q100-I102 HydrophobicContact CB-CG2 4.26Å; Q100-I102 PolarHBondContact O-N 3.21Å; Q100-I102 VanDerWaalsContact O-N 3.08Å; I102-S104 VanDerWaalsContact C-N 3.29Å
103	D	97.1	Very high	97.4	Very high	15 Å²	15	59.2 Å²	59.2	8%	0.08	33%	0.33	C	S	.	.	G	3₁₀ helix	trans	-85.4	-2.2	174.4	-61.1	-46.2	0	0	0	112.5	F81 K96 V99 Q100 E101 A105 Y107	F81-D103 WeakPolarHBondContact CE2-OD1 3.34Å; F81-D103 HydrophobicContact CZ-CB 4.07Å; F81-D103 WeakPolarHBondContact CZ-OD1 3.45Å; K96-D103 WeakPolarHBondContact CE-OD2 3.47Å; K96-D103 IonicContact NZ-OD1 2.7Å; K96-D103 PolarHBondContact NZ-OD1 3.32Å; K96-D103 IonicContact NZ-OD2 2.84Å; K96-D103 PolarHBondContact NZ-OD2 3.07Å; V99-D103 WeakPolarHBondContact CA-OD2 3.17Å; Q100-D103 PolarHBondContact N-OD2 3.36Å; Q100-D103 VanDerWaalsContact O-CB 3.25Å; Q100-D103 WeakPolarHBondContact O-CB 3.39Å; Q100-D103 PolarHBondContact O-N 3.46Å; E101-D103 PolarHBondContact O-N 3.22Å; E101-D103 VanDerWaalsContact O-N 3.15Å; D103-A105 PolarHBondContact O-N 3.15Å; D103-A105 VanDerWaalsContact O-N 3.08Å; D103-Y107 PolarHBondContact O-OH 3.02Å
104	S	97	Very high	97.3	Very high	94 Å²	94	60.1 Å²	60.1	66%	0.657	34%	0.337	S	S	*	.			trans	-67.6	105.6	176	-170.4	0	0	0	0	111.1	E101 I102	E101-S104 VanDerWaalsContact O-CB 3.22Å; E101-S104 WeakPolarHBondContact O-CB 3.18Å; E101-S104 PolarHBondContact O-N 3.23Å; I102-S104 VanDerWaalsContact C-N 3.29Å
105	A	97.3	Very high	97.2	Very high	31 Å²	31	63.4 Å²	63.4	26%	0.256	36%	0.356	S	S	.	.	S	Bend	trans	-164	173.1	-174.1	0	0	0	0	0	111.5	V56 Q57 Y58 D103 Y107	V56-A105 HydrophobicContact CG2-CB 3.36Å; Q57-A105 WeakPolarHBondContact O-CB 3.21Å; Y58-A105 HydrophobicContact CD1-CB 3.7Å; Y58-A105 HydrophobicContact CE1-CB 3.82Å; Y58-A105 HydrophobicContact CG-CB 4.49Å; D103-A105 PolarHBondContact O-N 3.15Å; D103-A105 VanDerWaalsContact O-N 3.08Å; A105-Y107 HydrophobicContact CB-CE2 3.95Å; A105-Y107 WeakPolarHBondContact O-CD2 3.38Å; A105-Y107 WeakPolarHBondContact O-CE2 3.04Å
106	V	97.5	Very high	97.2	Very high	75 Å²	75	63.2 Å²	63.2	46%	0.455	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93	134.8	166.9	-172.3	0	0	0	0	109.4	V56 Q57 Y108	V56-V106 CarbonylContact C-O 3.54Å; V56-V106 WeakPolarHBondContact CA-O 3.47Å; Q57-V106 HydrophobicContact CB-CB 4.41Å; Q57-V106 PolarHBondContact N-O 3Å; Q57-V106 PolarHBondContact O-N 2.83Å; V106-Y108 HydrophobicContact CB-CE2 4.09Å; V106-Y108 HydrophobicContact CG1-CD1 4.5Å; V106-Y108 HydrophobicContact CG1-CD2 4.41Å; V106-Y108 HydrophobicContact CG1-CE1 3.8Å; V106-Y108 HydrophobicContact CG1-CE2 3.71Å; V106-Y108 WeakPolarHBondContact CG1-OH 3.45Å
107	Y	97.9	Very high	97.1	Very high	22 Å²	22	66 Å²	66	9%	0.086	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	131.7	-179.3	-63.6	-94.9	0	0	0	110.5	Q25 I40 Y55 V56 L66 F81 L94 D103 A105	Q25-Y107 PolarHBondContact NE2-O 3.38Å; I40-Y107 HydrophobicContact CD1-CD2 3.91Å; I40-Y107 HydrophobicContact CD1-CG 3.86Å; Y55-Y107 WeakPolarHBondContact O-CA 3.45Å; V56-Y107 HydrophobicContact CB-CD1 4.13Å; V56-Y107 HydrophobicContact CB-CE1 4.01Å; V56-Y107 HydrophobicContact CG2-CD1 4.02Å; V56-Y107 HydrophobicContact CG2-CE1 3.6Å; L66-Y107 HydrophobicContact CD2-CD1 4.07Å; L66-Y107 HydrophobicContact CD2-CE1 3.97Å; F81-Y107 HydrophobicContact CD1-CE1 4.36Å; F81-Y107 AromaticContact CE1-CE1 3.65Å; F81-Y107 HydrophobicContact CE1-CE1 3.65Å; F81-Y107 AromaticContact CE1-CZ 3.84Å; F81-Y107 AromaticContact CZ-CE1 3.8Å; F81-Y107 HydrophobicContact CZ-CE1 3.8Å; F81-Y107 AromaticContact CZ-CZ 3.8Å; F81-Y107 WeakPolarHBondContact CZ-OH 3.35Å; L94-Y107 HydrophobicContact CD2-CD1 3.63Å; L94-Y107 HydrophobicContact CD2-CE1 4.16Å; L94-Y107 HydrophobicContact CD2-CG 4.29Å; D103-Y107 PolarHBondContact O-OH 3.02Å; A105-Y107 HydrophobicContact CB-CE2 3.95Å; A105-Y107 WeakPolarHBondContact O-CD2 3.38Å; A105-Y107 WeakPolarHBondContact O-CE2 3.04Å
108	Y	98.1	Very high	97	Very high	90 Å²	90	63.4 Å²	63.4	35%	0.353	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	129.1	-178.7	-55.6	-82.4	0	0	0	111	W54 Y55 Q57 V106	W54-Y108 WeakPolarHBondContact CA-O 3.1Å; W54-Y108 VanDerWaalsContact CE3-C 3.42Å; W54-Y108 VanDerWaalsContact CE3-O 3.29Å; Y55-Y108 PolarHBondContact N-O 2.78Å; Y55-Y108 PolarHBondContact O-N 3.09Å; Q57-Y108 HydrophobicContact CB-CD2 4.49Å; Q57-Y108 HydrophobicContact CB-CE2 3.76Å; Q57-Y108 VanDerWaalsContact OE1-CE2 3.25Å; Q57-Y108 PolarHBondContact OE1-OH 3.17Å; V106-Y108 HydrophobicContact CB-CE2 4.09Å; V106-Y108 HydrophobicContact CG1-CD1 4.5Å; V106-Y108 HydrophobicContact CG1-CD2 4.41Å; V106-Y108 HydrophobicContact CG1-CE1 3.8Å; V106-Y108 HydrophobicContact CG1-CE2 3.71Å; V106-Y108 WeakPolarHBondContact CG1-OH 3.45Å
109	C	98.3	Very high	97	Very high	12 Å²	12	65.1 Å²	65.1	8%	0.081	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94	137.4	170.7	-166	0	0	0	0	109.7	V23 Q25 C42 F53 W54	V23-C109 HydrophobicContact CG1-CB 4.05Å; Q25-C109 HydrophobicContact CB-CB 4.38Å; C42-C109 HydrophobicContact CB-CB 3.58Å; C42-C109 WeakPolarHBondContact CB-SG 3.18Å; C42-C109 WeakPolarHBondContact SG-CB 3.37Å; C42-C109 CovalentContact SG-SG 2.02Å; C42-C109 PolarHBondContact SG-SG 2.74Å; F53-C109 WeakPolarHBondContact O-CA 3.35Å; W54-C109 HydrophobicContact CD2-CB 4.29Å; W54-C109 HydrophobicContact CE3-CB 4.2Å; W54-C109 HydrophobicContact CH2-CB 3.7Å; W54-C109 HydrophobicContact CZ2-CB 3.79Å; W54-C109 HydrophobicContact CZ3-CB 3.91Å
110	A	98	Very high	96.9	Very high	31 Å²	31	69.1 Å²	69.1	26%	0.256	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.2	165.2	179.2	0	0	0	0	0	111.7	F53 Y55	F53-A110 HydrophobicContact CB-CB 4.37Å; F53-A110 PolarHBondContact N-O 2.9Å; F53-A110 PolarHBondContact O-N 3.47Å; Y55-A110 HydrophobicContact CD2-CB 4.41Å; Y55-A110 HydrophobicContact CE2-CB 4.16Å
111	M	96.5	Very high	96.9	Very high	41 Å²	41	65.8 Å²	65.8	20%	0.202	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	156.1	175.1	72.7	177.3	177.3	0	0	112.4	D21 S22 V23 Y44 P50 T51 L52	D21-M111 VanDerWaalsContact C-CE 3.48Å; D21-M111 HydrophobicContact CB-CE 3.46Å; D21-M111 VanDerWaalsContact CB-CE 3.46Å; S22-M111 VanDerWaalsContact O-CE 3.31Å; S22-M111 WeakPolarHBondContact O-CE 3.41Å; V23-M111 HydrophobicContact CG2-CB 4.15Å; V23-M111 HydrophobicContact CG2-CE 4.03Å; V23-M111 HydrophobicContact CG2-CG 3.61Å; V23-M111 HydrophobicContact CG2-SD 3.88Å; Y44-M111 HydrophobicContact CD2-SD 4.26Å; Y44-M111 HydrophobicContact CG-SD 4.3Å; P50-M111 HydrophobicContact CB-CB 4.08Å; P50-M111 HydrophobicContact CB-SD 4.45Å; T51-M111 CarbonylContact O-C 3.56Å; T51-M111 WeakPolarHBondContact O-CA 3.4Å; L52-M111 HydrophobicContact CD2-CB 3.7Å
112	S	93.9	Very high	97	Very high	111 Å²	111	59.1 Å²	59.1	78%	0.776	35%	0.351	S	S	*	.			trans	-138.8	0	173.6	73.2	0	0	0	0	112.7	P50 T51 F53	P50-S112 CarbonylContact C-O 3.59Å; P50-S112 VanDerWaalsContact CA-O 3.32Å; P50-S112 WeakPolarHBondContact CA-O 3.38Å; T51-S112 PolarHBondContact N-O 3.47Å; T51-S112 PolarHBondContact O-N 2.79Å; F53-S112 WeakPolarHBondContact CE2-OG 3.4Å

Retrieved 112 of 112 residues in 190.1 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).