A0A075B7B8_HUMAN Loading...

Immunoglobulin heavy variable 3/OR16-12 (non-functional)

AlphaFold DB , UniProt , Accession A0A075B7B8, Species HUMAN (Homo sapiens, Human), Gene IGHV3OR16-12, Length 117 aa.

						>A0A075B7B8_HUMAN|A0A075B7B8|IGHV3OR16-12
MEFELSWVFLVAILQGVHCEVQLVESGRGLAQPGGYLKLSGAASGFTVGSWYMSWIHQAPGKGLEWVSYISSSGCSTNYADSVKGRFTISTDNSKNTLYLQMNSLRVEDTAVYYCAR
					

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	45.6	Very low	53	Low	217 Å²	217	141 Å²	141	100%	1.069	69%	0.691	S	S	*	*				0	55	0	-70.3	172	-63.9	0	0	109.3
2	E	54.6	Low	52.8	Low	150 Å²	150	134.6 Å²	134.6	70%	0.701	68%	0.677	S	S	*	*			trans	-130.1	-8.3	-174.7	-66.4	-68.6	137.5	0	0	112.2
3	F	52.5	Low	53	Low	175 Å²	175	134.5 Å²	134.5	77%	0.768	68%	0.678	S	S	*	*	H	α-helix	trans	-88.4	-25.9	-175.2	-62.7	-68.4	0	0	0	113.5
4	E	54.4	Low	52.9	Low	165 Å²	165	134.8 Å²	134.8	77%	0.771	68%	0.681	S	S	*	*	H	α-helix	trans	-77.1	-27.1	-178.9	-64.3	-64.2	123	0	0	113.1
5	L	54.9	Low	52.8	Low	102 Å²	102	137.2 Å²	137.2	53%	0.534	69%	0.689	S	S	.	*	H	α-helix	trans	-73.4	-29.1	177.9	-87.7	140.5	0	0	0	112.5	W7 V8 F9	L5-W7 VanDerWaalsContact C-N 3.3Å; L5-W7 PolarHBondContact O-N 3.45Å; L5-V8 PolarHBondContact O-N 3.3Å; L5-F9 HydrophobicContact CB-CE2 4.42Å; L5-F9 HydrophobicContact CD2-CE2 4.44Å; L5-F9 WeakPolarHBondContact O-CD2 3.37Å
6	S	53.7	Low	52.3	Low	68 Å²	68	133 Å²	133	48%	0.476	69%	0.691	S	S	.	*	H	α-helix	trans	-65.2	-31.7	-176.7	-167.2	0	0	0	0	113.1
7	W	51.7	Low	52.1	Low	204 Å²	204	131.4 Å²	131.4	77%	0.773	69%	0.688	S	S	*	*	H	α-helix	trans	-73.4	-30.8	180	-75.3	69.8	0	0	0	112.8	L5 F9 L10	L5-W7 VanDerWaalsContact C-N 3.3Å; L5-W7 PolarHBondContact O-N 3.45Å; W7-F9 VanDerWaalsContact C-N 3.33Å; W7-F9 PolarHBondContact O-N 3.23Å; W7-L10 PolarHBondContact O-N 3.15Å
8	V	55.9	Low	51.5	Low	102 Å²	102	133.2 Å²	133.2	62%	0.618	69%	0.692	S	S	*	*	H	α-helix	trans	-69.1	-34.4	178.9	-170.3	0	0	0	0	110.9	L5 L10 V11	L5-V8 PolarHBondContact O-N 3.3Å; V8-L10 VanDerWaalsContact C-N 3.33Å; V8-L10 PolarHBondContact O-N 3.41Å; V8-V11 PolarHBondContact O-N 2.75Å
9	F	52.3	Low	51.4	Low	144 Å²	144	130.1 Å²	130.1	63%	0.632	68%	0.682	S	S	*	*	H	α-helix	trans	-68.8	-27.8	178.7	-69.9	-69.7	0	0	0	113.6	L5 W7	L5-F9 HydrophobicContact CB-CE2 4.42Å; L5-F9 HydrophobicContact CD2-CE2 4.44Å; L5-F9 WeakPolarHBondContact O-CD2 3.37Å; W7-F9 VanDerWaalsContact C-N 3.33Å; W7-F9 PolarHBondContact O-N 3.23Å
10	L	51.1	Low	50.8	Low	123 Å²	123	131.5 Å²	131.5	64%	0.644	68%	0.684	S	S	*	*	H	α-helix	trans	-73.2	-28.1	179	-87.5	158.2	0	0	0	113.3	W7 V8	W7-L10 PolarHBondContact O-N 3.15Å; V8-L10 VanDerWaalsContact C-N 3.33Å; V8-L10 PolarHBondContact O-N 3.41Å
11	V	56	Low	50.5	Low	101 Å²	101	128.4 Å²	128.4	61%	0.612	67%	0.671	S	S	*	*	H	α-helix	trans	-79	-30.3	-178	-179.1	0	0	0	0	112	V8 I13 L14	V8-V11 PolarHBondContact O-N 2.75Å; V11-I13 VanDerWaalsContact C-N 3.35Å; V11-I13 PolarHBondContact O-N 2.77Å; V11-L14 PolarHBondContact O-N 2.87Å
12	A	51.6	Low	49.7	Very low	64 Å²	64	126.2 Å²	126.2	53%	0.529	66%	0.659	S	S	.	*	H	α-helix	trans	-71.4	-23.2	-173.4	0	0	0	0	0	114.6	L14	A12-L14 VanDerWaalsContact C-N 3.34Å
13	I	55.3	Low	48.8	Very low	133 Å²	133	124.1 Å²	124.1	68%	0.682	65%	0.652	S	S	*	*	G	3₁₀ helix	trans	-79.1	-21	-176	-45.7	179.5	0	0	0	111.6	V11	V11-I13 VanDerWaalsContact C-N 3.35Å; V11-I13 PolarHBondContact O-N 2.77Å
14	L	51	Low	47.9	Very low	139 Å²	139	120.8 Å²	120.8	73%	0.728	65%	0.645	S	S	*	*	G	3₁₀ helix	trans	-82.6	-11	-178.9	-75.1	165.6	0	0	0	114.2	V11 A12 G16	V11-L14 PolarHBondContact O-N 2.87Å; A12-L14 VanDerWaalsContact C-N 3.34Å; L14-G16 VanDerWaalsContact C-N 3.25Å; L14-G16 PolarHBondContact O-N 2.76Å
15	Q	51.5	Low	47	Very low	171 Å²	171	118.9 Å²	118.9	80%	0.799	64%	0.636	S	S	*	*	G	3₁₀ helix	trans	-76.6	-11.1	176.5	-62.2	-161.6	-94.9	0	0	113.5
16	G	45.6	Very low	46.6	Very low	70 Å²	70	116.3 Å²	116.3	72%	0.722	63%	0.627	S	S	*	*	G	3₁₀ helix	trans	-88.4	-10.8	-178.5	0	0	0	0	0	115.6	L14 H18	L14-G16 VanDerWaalsContact C-N 3.25Å; L14-G16 PolarHBondContact O-N 2.76Å; G16-H18 PolarHBondContact O-N 3.22Å
17	V	49	Very low	46.1	Very low	105 Å²	105	115.1 Å²	115.1	64%	0.636	63%	0.626	S	S	*	*			trans	-102.6	68.4	-176.9	-169.5	0	0	0	0	109.4	C19	V17-C19 HydrophobicContact CG1-CB 4.29Å; V17-C19 PolarHBondContact O-N 3.2Å
18	H	40.2	Very low	46	Very low	165 Å²	165	115.2 Å²	115.2	76%	0.764	63%	0.626	S	S	*	*			trans	-81.1	72.6	166.1	-162.5	75.2	0	0	0	108.9	G16	G16-H18 PolarHBondContact O-N 3.22Å
19	C	49.3	Very low	45.9	Very low	74 Å²	74	112 Å²	112	50%	0.5	61%	0.614	S	S	.	*			trans	-112.8	85.1	165.3	-72.7	0	0	0	0	105.9	V17 V21	V17-C19 HydrophobicContact CG1-CB 4.29Å; V17-C19 PolarHBondContact O-N 3.2Å; C19-V21 HydrophobicContact CB-CG2 3.91Å; C19-V21 PolarHBondContact O-N 2.89Å
20	E	41.1	Very low	46	Very low	157 Å²	157	113.3 Å²	113.3	73%	0.734	63%	0.626	S	S	*	*			trans	-66.1	75.5	161.5	-171.4	-177.3	162.1	0	0	107.3	Q22	E20-Q22 PolarHBondContact O-N 3.01Å
21	V	43.3	Very low	46.7	Very low	67 Å²	67	109.3 Å²	109.3	41%	0.406	61%	0.611	S	S	.	*			trans	-87.8	97.3	174.9	167	0	0	0	0	105.1	C19 L23	C19-V21 HydrophobicContact CB-CG2 3.91Å; C19-V21 PolarHBondContact O-N 2.89Å; V21-L23 HydrophobicContact CB-CD1 4.46Å; V21-L23 HydrophobicContact CG1-CB 3.98Å; V21-L23 HydrophobicContact CG1-CD1 3.42Å; V21-L23 VanDerWaalsContact CG1-CD1 3.42Å; V21-L23 HydrophobicContact CG1-CG 3.32Å; V21-L23 PolarHBondContact O-N 2.9Å
22	Q	29.6	Very low	47.5	Very low	172 Å²	172	112.1 Å²	112.1	80%	0.804	62%	0.618	S	S	*	*			trans	-61.5	87.5	146	-94.6	-169.9	-10.8	0	0	106.3	E20 V24	E20-Q22 PolarHBondContact O-N 3.01Å; Q22-V24 PolarHBondContact O-N 2.68Å
23	L	35.7	Very low	48.9	Very low	106 Å²	106	113.5 Å²	113.5	56%	0.555	62%	0.621	S	S	*	*			trans	-65.9	80.7	156.1	-90.6	134.6	0	0	0	104.6	V21 E25	V21-L23 HydrophobicContact CB-CD1 4.46Å; V21-L23 HydrophobicContact CG1-CB 3.98Å; V21-L23 HydrophobicContact CG1-CD1 3.42Å; V21-L23 VanDerWaalsContact CG1-CD1 3.42Å; V21-L23 HydrophobicContact CG1-CG 3.32Å; V21-L23 PolarHBondContact O-N 2.9Å; L23-E25 PolarHBondContact O-N 3.44Å
24	V	32.4	Very low	50.3	Low	105 Å²	105	110 Å²	110	64%	0.636	62%	0.618	S	S	*	*			trans	-60.9	99	145.8	170.6	0	0	0	0	102.8	Q22 S26	Q22-V24 PolarHBondContact O-N 2.68Å; V24-S26 PolarHBondContact O-N 3.35Å; V24-S26 PolarHBondContact O-OG 2.8Å
25	E	36.7	Very low	52.1	Low	124 Å²	124	104.6 Å²	104.6	58%	0.579	60%	0.596	S	S	*	*			trans	-58.5	83	174.1	-161.6	171.9	173	0	0	106.3	L23 G27 R28	L23-E25 PolarHBondContact O-N 3.44Å; E25-G27 PolarHBondContact O-N 2.82Å; E25-R28 HydrophobicContact CG-CB 4.08Å; E25-R28 WeakPolarHBondContact OE1-CB 3.39Å; E25-R28 VanDerWaalsContact OE1-CG 3.25Å; E25-R28 WeakPolarHBondContact OE1-CG 3.26Å
26	S	45.4	Very low	53.9	Low	49 Å²	49	102 Å²	102	34%	0.343	58%	0.58	S	S	.	*	T	Hydrogen-bonded Turn	trans	-77.6	75.7	-175.3	42.8	0	0	0	0	106.4	V24 S40	V24-S26 PolarHBondContact O-N 3.35Å; V24-S26 PolarHBondContact O-OG 2.8Å; S26-S40 PolarHBondContact OG-OG 3.29Å
27	G	44.1	Very low	56.1	Low	43 Å²	43	100.4 Å²	100.4	44%	0.443	55%	0.554	S	S	.	*	T	Hydrogen-bonded Turn	trans	88.5	89.7	-168.3	0	0	0	0	0	110.5	E25 G29	E25-G27 PolarHBondContact O-N 2.82Å; G27-G29 PolarHBondContact O-N 2.95Å
28	R	49	Very low	58.2	Low	205 Å²	205	99.8 Å²	99.8	77%	0.774	54%	0.543	S	S	*	.			trans	-59.2	61.7	138	-167	170.7	178	-172.6	1.7	107.8	E25 L30	E25-R28 HydrophobicContact CG-CB 4.08Å; E25-R28 WeakPolarHBondContact OE1-CB 3.39Å; E25-R28 VanDerWaalsContact OE1-CG 3.25Å; E25-R28 WeakPolarHBondContact OE1-CG 3.26Å; R28-L30 PolarHBondContact O-N 2.77Å
29	G	53.8	Low	60.7	Low	36 Å²	36	93.3 Å²	93.3	37%	0.371	51%	0.514	S	S	.	.			trans	-84.9	96.1	-175.5	0	0	0	0	0	105.3	G27 A31	G27-G29 PolarHBondContact O-N 2.95Å; G29-A31 PolarHBondContact O-N 3.36Å
30	L	55.4	Low	62.8	Low	170 Å²	170	91.9 Å²	91.9	89%	0.89	51%	0.505	S	S	*	.			trans	-61.4	85.8	161.1	-69.8	169.3	0	0	0	106.7	R28	R28-L30 PolarHBondContact O-N 2.77Å
31	A	64.7	Low	65.2	Low	40 Å²	40	85 Å²	85	33%	0.331	48%	0.476	S	S	.	.	P	Polyproline II helix	trans	-82.2	130.7	175.9	0	0	0	0	0	108	G29 L37 L105	G29-A31 PolarHBondContact O-N 3.36Å; A31-L37 HydrophobicContact CB-CB 4.15Å; A31-L105 HydrophobicContact CB-CD1 3.35Å
32	Q	74	Confident	67.6	Low	159 Å²	159	85.5 Å²	85.5	74%	0.743	49%	0.487	S	S	*	.	P	Polyproline II helix	trans	-70	151.3	175.8	-69.7	176.6	-15.6	0	0	110	G34 G35	Q32-G34 PolarHBondContact O-N 2.99Å; Q32-G35 WeakPolarHBondContact O-CA 3.38Å; Q32-G35 PolarHBondContact O-N 3.08Å
33	P	80.2	Confident	70.4	Confident	94 Å²	94	78.1 Å²	78.1	61%	0.61	46%	0.456	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49.8	136.9	166	-25.4	34.6	0	0	0	111	G35 L105 V107	P33-G35 PolarHBondContact O-N 3.16Å; P33-L105 CarbonylContact C-O 3.59Å; P33-V107 HydrophobicContact CG-CG2 4Å
34	G	84.2	Confident	73.1	Confident	60 Å²	60	77.7 Å²	77.7	62%	0.619	46%	0.462	S	S	*	.	T	Hydrogen-bonded Turn	trans	82	-8	-172	0	0	0	0	0	114.7	Q32 L105	Q32-G34 PolarHBondContact O-N 2.99Å; G34-L105 PolarHBondContact N-O 3.02Å
35	G	88.8	Confident	75.9	Confident	25 Å²	25	76.8 Å²	76.8	26%	0.258	47%	0.474	S	S	.	.			trans	-78.9	-171.2	-177.4	0	0	0	0	0	115	Q32 P33 S104 L105	Q32-G35 WeakPolarHBondContact O-CA 3.38Å; Q32-G35 PolarHBondContact O-N 3.08Å; P33-G35 PolarHBondContact O-N 3.16Å; G35-S104 PolarHBondContact O-N 3.31Å; G35-S104 VanDerWaalsContact O-N 3.15Å; G35-L105 PolarHBondContact O-N 3.23Å
36	Y	89.5	Confident	78.4	Confident	117 Å²	117	73.3 Å²	73.3	46%	0.459	46%	0.457	S	S	.	.			trans	-120.5	139.1	178.6	170.3	-89.9	0	0	0	110	K38 Q101 M102 N103	Y36-K38 HydrophobicContact CE1-CB 4.03Å; Y36-Q101 HydrophobicContact CD2-CG 4.32Å; Y36-Q101 HydrophobicContact CE2-CG 3.38Å; Y36-M102 WeakPolarHBondContact CA-O 3.45Å; Y36-N103 VanDerWaalsContact CD2-OD1 3.26Å; Y36-N103 WeakPolarHBondContact CD2-OD1 3.33Å
37	L	91.1	Very high	80.6	Confident	36 Å²	36	74.5 Å²	74.5	19%	0.188	46%	0.462	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	144.9	170.2	-179.1	62.9	0	0	0	109.5	A31 L39 M102 L105	A31-L37 HydrophobicContact CB-CB 4.15Å; L37-L39 HydrophobicContact CD2-CD2 4.23Å; L37-L39 HydrophobicContact CG-CD2 4.41Å; L37-M102 HydrophobicContact CB-CE 3.91Å; L37-M102 HydrophobicContact CD2-CE 3.6Å; L37-M102 HydrophobicContact CG-CE 3.71Å; L37-M102 PolarHBondContact N-O 3.14Å; L37-M102 WeakPolarHBondContact O-CA 3.1Å; L37-M102 WeakPolarHBondContact O-CB 3.43Å; L37-M102 PolarHBondContact O-N 2.91Å; L37-L105 HydrophobicContact CB-CD1 3.7Å
38	K	92.7	Very high	82.9	Confident	91 Å²	91	72.5 Å²	72.5	40%	0.396	44%	0.441	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	116.2	173.9	-177.7	175.6	177.6	175.9	0	109.2	Y36 Y99 L100	Y36-K38 HydrophobicContact CE1-CB 4.03Å; K38-Y99 HydrophobicContact CD-CD1 4.44Å; K38-Y99 HydrophobicContact CG-CD1 4.44Å; K38-L100 WeakPolarHBondContact CA-O 3.15Å
39	L	94	Very high	84.8	Confident	29 Å²	29	63.3 Å²	63.3	15%	0.152	41%	0.41	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90	152.5	173.4	-61.4	173.3	0	0	0	110.4	L37 W55 Y99 L100 M102 Y113	L37-L39 HydrophobicContact CD2-CD2 4.23Å; L37-L39 HydrophobicContact CG-CD2 4.41Å; L39-W55 HydrophobicContact CB-CH2 4.1Å; L39-W55 HydrophobicContact CB-CZ2 4.44Å; L39-Y99 VanDerWaalsContact O-CA 3.28Å; L39-Y99 WeakPolarHBondContact O-CA 2.98Å; L39-Y99 WeakPolarHBondContact O-CD1 3.48Å; L39-L100 HydrophobicContact CB-CB 4.32Å; L39-L100 PolarHBondContact N-O 3.23Å; L39-L100 PolarHBondContact O-N 3.34Å; L39-M102 HydrophobicContact CD1-CE 3.42Å; L39-M102 VanDerWaalsContact CD1-CE 3.42Å; L39-M102 HydrophobicContact CD1-SD 4.26Å; L39-M102 HydrophobicContact CD2-CE 4.26Å; L39-M102 HydrophobicContact CG-CE 3.42Å; L39-M102 VanDerWaalsContact CG-CE 3.42Å; L39-Y113 HydrophobicContact CD1-CD1 4.06Å; L39-Y113 HydrophobicContact CD1-CD2 3.86Å; L39-Y113 HydrophobicContact CD1-CG 3.55Å
40	S	94.1	Very high	86.7	Confident	44 Å²	44	65 Å²	65	31%	0.308	42%	0.417	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	140.1	173.6	72.1	0	0	0	0	111	S26 L98 Y99	S26-S40 PolarHBondContact OG-OG 3.29Å; S40-L98 CarbonylContact C-O 3.52Å; S40-L98 WeakPolarHBondContact CA-O 3.18Å; S40-Y99 VanDerWaalsContact CB-CD1 3.46Å
41	G	91.4	Very high	88.4	Confident	13 Å²	13	62.7 Å²	62.7	13%	0.134	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	116.7	175.4	0	0	0	0	0	110	T97 L98	G41-T97 WeakPolarHBondContact O-CA 3.47Å; G41-L98 PolarHBondContact N-O 3.41Å; G41-L98 PolarHBondContact O-N 3.19Å
42	A	92.4	Very high	89.8	Confident	77 Å²	77	65.3 Å²	65.3	64%	0.636	40%	0.398	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-79.5	129.2	177.6	0	0	0	0	0	110.2
43	A	89.7	Confident	90.9	Very high	18 Å²	18	58.1 Å²	58.1	15%	0.149	36%	0.364	C	S	.	.			trans	-77.5	143.5	169.9	0	0	0	0	0	109.8	F46 V48 N96	A43-F46 HydrophobicContact CB-CD2 4.09Å; A43-F46 HydrophobicContact CB-CE1 4.17Å; A43-F46 HydrophobicContact CB-CE2 3.55Å; A43-F46 HydrophobicContact CB-CZ 3.6Å; A43-V48 HydrophobicContact CB-CB 3.95Å; A43-V48 HydrophobicContact CB-CG2 4.3Å; A43-N96 PolarHBondContact N-O 2.83Å; A43-N96 PolarHBondContact O-ND2 3.25Å
44	S	90.9	Very high	91.6	Very high	97 Å²	97	54.3 Å²	54.3	68%	0.678	34%	0.34	S	S	*	.			trans	-127.9	141	175.3	-175.1	0	0	0	0	109.6	F46	S44-F46 VanDerWaalsContact C-N 3.25Å; S44-F46 WeakPolarHBondContact O-CD1 3.49Å; S44-F46 WeakPolarHBondContact O-CE1 3.47Å; S44-F46 PolarHBondContact O-N 2.79Å
45	G	91.8	Very high	92.2	Very high	86 Å²	86	51.9 Å²	51.9	89%	0.887	31%	0.312	S	S	*	.	S	Bend	trans	75.6	1.8	-179.7	0	0	0	0	0	115.9
46	F	89.1	Confident	92.6	Very high	51 Å²	51	52.2 Å²	52.2	22%	0.224	31%	0.308	C	S	.	.	S	Bend	trans	-157.2	163.1	175.5	61.5	-87.2	0	0	0	111.8	A43 S44 W51 M53 N96	A43-F46 HydrophobicContact CB-CD2 4.09Å; A43-F46 HydrophobicContact CB-CE1 4.17Å; A43-F46 HydrophobicContact CB-CE2 3.55Å; A43-F46 HydrophobicContact CB-CZ 3.6Å; S44-F46 VanDerWaalsContact C-N 3.25Å; S44-F46 WeakPolarHBondContact O-CD1 3.49Å; S44-F46 WeakPolarHBondContact O-CE1 3.47Å; S44-F46 PolarHBondContact O-N 2.79Å; F46-W51 AromaticContact CD2-CD1 3.5Å; F46-W51 VanDerWaalsContact CD2-CD1 3.5Å; F46-W51 HydrophobicContact CD2-CG 4.33Å; F46-M53 HydrophobicContact CE2-CE 4.33Å; F46-M53 HydrophobicContact CE2-SD 3.9Å; F46-M53 HydrophobicContact CZ-CE 4.37Å; F46-M53 HydrophobicContact CZ-SD 4.4Å; F46-N96 PolarHBondContact O-ND2 2.89Å; F46-N96 PolarHBondContact O-OD1 3.15Å
47	T	92.2	Very high	92.8	Very high	73 Å²	73	47.2 Å²	47.2	45%	0.448	29%	0.289	S	S	.	.			trans	-83.7	118.9	172.2	-60.2	0	0	0	0	110.3	G49 S50 W51 N96	T47-G49 VanDerWaalsContact C-N 3.27Å; T47-G49 PolarHBondContact O-N 3.38Å; T47-S50 WeakPolarHBondContact CB-OG 3.39Å; T47-S50 WeakPolarHBondContact O-CB 3.46Å; T47-S50 PolarHBondContact O-N 3.31Å; T47-W51 VanDerWaalsContact O-CD1 3.32Å; T47-N96 VanDerWaalsContact CA-OD1 3.29Å; T47-N96 WeakPolarHBondContact CA-OD1 3.23Å
48	V	91.6	Very high	92.9	Very high	1 Å²	1	48.9 Å²	48.9	1%	0.006	30%	0.296	C	S	.	.	G	3₁₀ helix	trans	-55.3	-40.4	-175	70.4	0	0	0	0	112.5	A43 S50 W51 M53 T91 N96 L98	A43-V48 HydrophobicContact CB-CB 3.95Å; A43-V48 HydrophobicContact CB-CG2 4.3Å; V48-S50 PolarHBondContact O-N 2.97Å; V48-W51 PolarHBondContact O-N 2.69Å; V48-M53 HydrophobicContact CG2-CE 4.27Å; V48-M53 HydrophobicContact CG2-CG 3.85Å; V48-M53 HydrophobicContact CG2-SD 4.25Å; V48-T91 HydrophobicContact CG1-CG2 4.38Å; V48-T91 HydrophobicContact CG2-CG2 3.91Å; V48-N96 PolarHBondContact N-OD1 2.81Å; V48-L98 HydrophobicContact CG2-CB 4.2Å
49	G	90.1	Very high	92.9	Very high	12 Å²	12	45.3 Å²	45.3	12%	0.124	28%	0.283	C	S	.	.	G	3₁₀ helix	trans	-74.2	-7.8	178	0	0	0	0	0	114.8	T47 W51 S72 N93	T47-G49 VanDerWaalsContact C-N 3.27Å; T47-G49 PolarHBondContact O-N 3.38Å; G49-W51 VanDerWaalsContact C-N 3.29Å; G49-S72 CarbonylContact O-C 3.34Å; G49-S72 WeakPolarHBondContact O-CA 3.26Å; G49-S72 WeakPolarHBondContact O-CB 3.29Å; G49-N93 WeakPolarHBondContact CA-OD1 3.2Å; G49-N93 PolarHBondContact N-OD1 2.94Å
50	S	92.4	Very high	92.8	Very high	73 Å²	73	49.6 Å²	49.6	51%	0.51	31%	0.312	S	S	.	.	G	3₁₀ helix	trans	-86	-4.8	176.1	-57.9	0	0	0	0	112.8	T47 V48 S72	T47-S50 WeakPolarHBondContact CB-OG 3.39Å; T47-S50 WeakPolarHBondContact O-CB 3.46Å; T47-S50 PolarHBondContact O-N 3.31Å; V48-S50 PolarHBondContact O-N 2.97Å; S50-S72 VanDerWaalsContact C-CB 3.47Å; S50-S72 WeakPolarHBondContact O-CB 3.35Å
51	W	91.8	Very high	92.7	Very high	120 Å²	120	52 Å²	52	46%	0.455	35%	0.345	S	S	.	.	S	Bend	trans	-131.3	158.2	-172.3	-61.9	95.2	0	0	0	112.4	F46 T47 V48 G49 M53 S72 R117	F46-W51 AromaticContact CD2-CD1 3.5Å; F46-W51 VanDerWaalsContact CD2-CD1 3.5Å; F46-W51 HydrophobicContact CD2-CG 4.33Å; T47-W51 VanDerWaalsContact O-CD1 3.32Å; V48-W51 PolarHBondContact O-N 2.69Å; G49-W51 VanDerWaalsContact C-N 3.29Å; W51-M53 HydrophobicContact CB-SD 4.26Å; W51-S72 WeakPolarHBondContact O-CA 3.13Å; W51-S72 PolarHBondContact O-N 2.82Å; W51-R117 HydrophobicContact CB-CG 3.81Å; W51-R117 HydrophobicContact CD2-CG 4.37Å; W51-R117 HydrophobicContact CE3-CG 4.29Å; W51-R117 HydrophobicContact CG-CG 4.19Å
52	Y	94.7	Very high	92.8	Very high	96 Å²	96	57.2 Å²	57.2	38%	0.376	36%	0.363	S	S	.	.			trans	-70.2	128	166.7	-161.1	-90.3	0	0	0	108.2	Y69 R117	Y52-Y69 HydrophobicContact CD2-CD2 4.33Å; Y52-Y69 HydrophobicContact CE1-CD1 4.07Å; Y52-Y69 AromaticContact CE1-CD2 3.68Å; Y52-Y69 HydrophobicContact CE1-CD2 3.68Å; Y52-Y69 HydrophobicContact CE1-CE2 4.48Å; Y52-Y69 AromaticContact CE1-CG 3.47Å; Y52-Y69 HydrophobicContact CE1-CG 3.47Å; Y52-Y69 VanDerWaalsContact CE1-CG 3.47Å; Y52-Y69 AromaticContact CE2-CD2 3.37Å; Y52-Y69 HydrophobicContact CE2-CD2 3.37Å; Y52-Y69 AromaticContact CE2-CE2 3.51Å; Y52-Y69 HydrophobicContact CE2-CE2 3.51Å; Y52-Y69 HydrophobicContact CE2-CG 4.03Å; Y52-Y69 AromaticContact CZ-CD1 3.64Å; Y52-Y69 AromaticContact CZ-CD2 3.03Å; Y52-Y69 AromaticContact CZ-CE1 3.96Å; Y52-Y69 AromaticContact CZ-CE2 3.44Å; Y52-Y69 VanDerWaalsContact CZ-CE2 3.44Å; Y52-Y69 AromaticContact CZ-CG 3.19Å; Y52-Y69 AromaticContact CZ-CZ 3.88Å; Y52-Y69 WeakPolarHBondContact OH-CD1 3.42Å; Y52-Y69 WeakPolarHBondContact OH-CD2 3.39Å; Y52-Y69 WeakPolarHBondContact OH-CE1 3.45Å; Y52-Y69 WeakPolarHBondContact OH-CE2 3.46Å; Y52-R117 WeakPolarHBondContact O-CA 3.25Å
53	M	95.6	Very high	92.8	Very high	7 Å²	7	55.8 Å²	55.8	3%	0.034	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	136.3	-176.7	-63.5	-60	-57.7	0	0	109.2	F46 V48 W51 Y69 I70 L98 A116 R117	F46-M53 HydrophobicContact CE2-CE 4.33Å; F46-M53 HydrophobicContact CE2-SD 3.9Å; F46-M53 HydrophobicContact CZ-CE 4.37Å; F46-M53 HydrophobicContact CZ-SD 4.4Å; V48-M53 HydrophobicContact CG2-CE 4.27Å; V48-M53 HydrophobicContact CG2-CG 3.85Å; V48-M53 HydrophobicContact CG2-SD 4.25Å; W51-M53 HydrophobicContact CB-SD 4.26Å; M53-Y69 CarbonylContact O-C 3.6Å; M53-Y69 WeakPolarHBondContact O-CA 3.39Å; M53-I70 HydrophobicContact CB-CG2 3.94Å; M53-I70 PolarHBondContact N-O 2.65Å; M53-I70 PolarHBondContact O-N 3.48Å; M53-L98 HydrophobicContact CB-CD1 3.8Å; M53-L98 HydrophobicContact CB-CD2 3.98Å; M53-L98 HydrophobicContact CB-CG 4.49Å; M53-L98 HydrophobicContact CE-CD2 4.22Å; M53-L98 HydrophobicContact CG-CD1 4.46Å; M53-A116 WeakPolarHBondContact CA-O 3.34Å; M53-R117 HydrophobicContact CE-CB 4.49Å; M53-R117 HydrophobicContact SD-CB 3.89Å; M53-R117 HydrophobicContact SD-CG 4.39Å
54	S	96.3	Very high	93.1	Very high	15 Å²	15	60.5 Å²	60.5	11%	0.105	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	148.7	179.6	-62.5	0	0	0	0	111.3	S68 C115 A116	S54-S68 CarbonylContact C-O 3.59Å; S54-S68 VanDerWaalsContact CA-O 3.23Å; S54-S68 WeakPolarHBondContact CA-O 3.17Å; S54-C115 CarbonylContact O-C 3.59Å; S54-C115 WeakPolarHBondContact O-CA 3.06Å; S54-A116 PolarHBondContact N-O 3.1Å; S54-A116 PolarHBondContact O-N 3.43Å
55	W	97.1	Very high	93.3	Very high	8 Å²	8	59.9 Å²	59.9	3%	0.03	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	132.5	160.1	-74.9	99.7	0	0	0	109.1	L39 V67 S68 L98 Y99 L100 Y114 C115	L39-W55 HydrophobicContact CB-CH2 4.1Å; L39-W55 HydrophobicContact CB-CZ2 4.44Å; W55-V67 HydrophobicContact CB-CB 4.11Å; W55-V67 WeakPolarHBondContact O-CB 3.48Å; W55-V67 PolarHBondContact O-N 2.94Å; W55-S68 PolarHBondContact N-O 3.24Å; W55-S68 PolarHBondContact O-N 2.98Å; W55-L98 HydrophobicContact CD2-CD2 4.28Å; W55-L98 HydrophobicContact CG-CD2 4.38Å; W55-L98 HydrophobicContact CZ2-CB 4.48Å; W55-L98 HydrophobicContact CZ2-CD2 4.11Å; W55-L98 HydrophobicContact CZ2-CG 4.16Å; W55-L98 VanDerWaalsContact NE1-CD2 3.3Å; W55-Y99 PolarHBondContact NE1-O 3.14Å; W55-L100 HydrophobicContact CB-CD2 4.16Å; W55-L100 HydrophobicContact CD2-CB 4.05Å; W55-L100 HydrophobicContact CD2-CD2 4.25Å; W55-L100 HydrophobicContact CG-CB 4.12Å; W55-L100 HydrophobicContact CG-CD1 4.43Å; W55-L100 HydrophobicContact CG-CD2 3.97Å; W55-L100 HydrophobicContact CG-CG 4.41Å; W55-L100 HydrophobicContact CZ2-CB 4.21Å; W55-Y114 WeakPolarHBondContact CA-O 3.47Å; W55-C115 HydrophobicContact CD2-CB 4.4Å; W55-C115 HydrophobicContact CE3-CB 4.2Å; W55-C115 HydrophobicContact CH2-CB 4.14Å; W55-C115 HydrophobicContact CZ2-CB 4.33Å; W55-C115 HydrophobicContact CZ3-CB 4.07Å
56	I	96	Very high	93.6	Very high	33 Å²	33	60.5 Å²	60.5	17%	0.169	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	141.7	173.9	-61.8	100.9	0	0	0	106.4	L64 E65 Y113 Y114 A116	I56-L64 HydrophobicContact CG2-CB 3.73Å; I56-L64 HydrophobicContact CG2-CD2 3.67Å; I56-L64 HydrophobicContact CG2-CG 4.22Å; I56-E65 CarbonylContact C-O 3.47Å; I56-E65 VanDerWaalsContact CA-O 3.31Å; I56-E65 WeakPolarHBondContact CA-O 3.37Å; I56-E65 VanDerWaalsContact CG2-O 3.27Å; I56-E65 WeakPolarHBondContact CG2-O 3.41Å; I56-Y113 CarbonylContact O-C 3.53Å; I56-Y113 WeakPolarHBondContact O-CA 3.08Å; I56-Y114 PolarHBondContact N-O 3.31Å; I56-Y114 PolarHBondContact O-N 3.35Å; I56-A116 HydrophobicContact CD1-CB 3.48Å; I56-A116 VanDerWaalsContact CD1-CB 3.48Å
57	H	94.8	Very high	94	Very high	11 Å²	11	58.1 Å²	58.1	5%	0.051	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	153.7	174.7	76.6	150.2	0	0	0	111.8	E65 V67 A111 V112 Y113	H57-E65 PolarHBondContact CD2-O 2.82Å; H57-E65 PolarHBondContact N-O 3.47Å; H57-E65 IonicContact NE2-OE2 3.48Å; H57-E65 PolarHBondContact NE2-OE2 2.78Å; H57-E65 PolarHBondContact O-N 2.88Å; H57-V67 HydrophobicContact CB-CG2 3.73Å; H57-V67 WeakPolarHBondContact CD2-CG2 3.49Å; H57-A111 HydrophobicContact CB-CB 3.75Å; H57-A111 WeakPolarHBondContact ND1-CB 3.34Å; H57-V112 CarbonylContact C-O 3.44Å; H57-V112 WeakPolarHBondContact CA-O 3.29Å; H57-Y113 HydrophobicContact CB-CD1 3.66Å; H57-Y113 HydrophobicContact CB-CD2 4.26Å; H57-Y113 HydrophobicContact CB-CE1 3.61Å; H57-Y113 HydrophobicContact CB-CE2 4.22Å; H57-Y113 HydrophobicContact CB-CG 3.98Å; H57-Y113 AromaticContact ND1-CZ 3.84Å
58	Q	93.5	Very high	94.3	Very high	72 Å²	72	54.7 Å²	54.7	34%	0.336	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	109.8	177.1	-169.3	173.9	21.9	0	0	109.6	K62 L64 A111 V112 Y114	Q58-K62 WeakPolarHBondContact CG-O 3.19Å; Q58-K62 PolarHBondContact NE2-O 2.82Å; Q58-K62 VanDerWaalsContact NE2-O 3.12Å; Q58-L64 HydrophobicContact CB-CD2 4.01Å; Q58-A111 WeakPolarHBondContact O-CA 3.42Å; Q58-A111 WeakPolarHBondContact O-CB 3.49Å; Q58-V112 PolarHBondContact N-O 3.3Å; Q58-V112 PolarHBondContact O-N 3.48Å; Q58-Y114 HydrophobicContact CB-CE2 3.93Å
59	A	92	Very high	94.5	Very high	16 Å²	16	56.9 Å²	56.9	13%	0.132	32%	0.318	C	S	.	.			trans	-75.9	152.6	170.8	0	0	0	0	0	110.4	G61 K62 A111	A59-G61 PolarHBondContact O-N 3.05Å; A59-K62 HydrophobicContact CB-CB 4.19Å; A59-K62 HydrophobicContact CB-CD 4.03Å; A59-K62 HydrophobicContact CB-CG 4.17Å; A59-K62 PolarHBondContact O-N 2.96Å; A59-A111 HydrophobicContact CB-CB 4.39Å
60	P	90.8	Very high	94.9	Very high	118 Å²	118	56.9 Å²	56.9	77%	0.766	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.1	126.6	176.7	-25.3	34.3	0	0	0	112	K62	P60-K62 PolarHBondContact O-N 2.97Å
61	G	93.8	Very high	95	Very high	96 Å²	96	53.9 Å²	53.9	99%	0.99	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	74.9	5.5	-179.1	0	0	0	0	0	115.4	A59	A59-G61 PolarHBondContact O-N 3.05Å
62	K	92.5	Very high	95	Very high	121 Å²	121	51.2 Å²	51.2	53%	0.526	29%	0.293	S	S	.	.	S	Bend	trans	-111	165.6	175.4	-62.4	-163	-177.5	178.8	0	112.4	Q58 A59 P60	Q58-K62 WeakPolarHBondContact CG-O 3.19Å; Q58-K62 PolarHBondContact NE2-O 2.82Å; Q58-K62 VanDerWaalsContact NE2-O 3.12Å; A59-K62 HydrophobicContact CB-CB 4.19Å; A59-K62 HydrophobicContact CB-CD 4.03Å; A59-K62 HydrophobicContact CB-CG 4.17Å; A59-K62 PolarHBondContact O-N 2.96Å; P60-K62 PolarHBondContact O-N 2.97Å
63	G	93.1	Very high	94.7	Very high	48 Å²	48	50.5 Å²	50.5	50%	0.495	30%	0.303	S	S	.	.			trans	-72.7	178.6	170.4	0	0	0	0	0	112.5
64	L	95.3	Very high	94.4	Very high	117 Å²	117	52 Å²	52	61%	0.613	32%	0.319	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-71.1	128.5	170.3	-70	167.5	0	0	0	109.6	I56 Q58 Y114	I56-L64 HydrophobicContact CG2-CB 3.73Å; I56-L64 HydrophobicContact CG2-CD2 3.67Å; I56-L64 HydrophobicContact CG2-CG 4.22Å; Q58-L64 HydrophobicContact CB-CD2 4.01Å; L64-Y114 HydrophobicContact CD2-CD2 4.02Å; L64-Y114 HydrophobicContact CD2-CE2 4.1Å
65	E	96	Very high	94.1	Very high	84 Å²	84	56.8 Å²	56.8	39%	0.393	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	134.7	177.6	-71.3	178	-171.7	0	0	109	I56 H57	I56-E65 CarbonylContact C-O 3.47Å; I56-E65 VanDerWaalsContact CA-O 3.31Å; I56-E65 WeakPolarHBondContact CA-O 3.37Å; I56-E65 VanDerWaalsContact CG2-O 3.27Å; I56-E65 WeakPolarHBondContact CG2-O 3.41Å; H57-E65 PolarHBondContact CD2-O 2.82Å; H57-E65 PolarHBondContact N-O 3.47Å; H57-E65 IonicContact NE2-OE2 3.48Å; H57-E65 PolarHBondContact NE2-OE2 2.78Å; H57-E65 PolarHBondContact O-N 2.88Å
66	W	96.9	Very high	93.9	Very high	99 Å²	99	58.8 Å²	58.8	38%	0.375	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	135.2	178.2	173.3	83.5	0	0	0	110.2	S68 Y69 N78 Y79 A80	W66-S68 PolarHBondContact NE1-O 2.88Å; W66-Y69 HydrophobicContact CH2-CD1 4.14Å; W66-Y69 AromaticContact CZ2-CD1 3.38Å; W66-Y69 HydrophobicContact CZ2-CD1 3.38Å; W66-Y69 HydrophobicContact CZ2-CE1 4.28Å; W66-Y69 HydrophobicContact CZ2-CG 4.09Å; W66-N78 HydrophobicContact CH2-CB 3.94Å; W66-N78 HydrophobicContact CZ2-CB 4.36Å; W66-Y79 VanDerWaalsContact CZ3-C 3.47Å; W66-A80 HydrophobicContact CE3-CB 4.01Å; W66-A80 HydrophobicContact CZ3-CB 4Å; W66-A80 WeakPolarHBondContact O-CB 3.22Å
67	V	97.6	Very high	94	Very high	1 Å²	1	60 Å²	60	1%	0.006	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	-54	-175.2	178.9	0	0	0	0	111.6	W55 H57 Y79 A80 V83 F87 L100 Y113	W55-V67 HydrophobicContact CB-CB 4.11Å; W55-V67 WeakPolarHBondContact O-CB 3.48Å; W55-V67 PolarHBondContact O-N 2.94Å; H57-V67 HydrophobicContact CB-CG2 3.73Å; H57-V67 WeakPolarHBondContact CD2-CG2 3.49Å; V67-Y79 WeakPolarHBondContact O-CA 3.27Å; V67-A80 PolarHBondContact O-N 3.35Å; V67-V83 HydrophobicContact CG1-CG1 4.47Å; V67-V83 HydrophobicContact CG1-CG2 3.99Å; V67-F87 HydrophobicContact CG1-CD2 3.86Å; V67-F87 HydrophobicContact CG1-CE2 4.24Å; V67-L100 HydrophobicContact CG1-CD2 4.13Å; V67-Y113 HydrophobicContact CG1-CE1 4.33Å; V67-Y113 HydrophobicContact CG2-CD1 4.31Å; V67-Y113 HydrophobicContact CG2-CE1 3.92Å
68	S	97.9	Very high	94.1	Very high	0 Å²	0	62.7 Å²	62.7	0%	0	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-163.4	162.8	-177.1	60.4	0	0	0	0	111.2	S54 W55 W66 N78 Y79	S54-S68 CarbonylContact C-O 3.59Å; S54-S68 VanDerWaalsContact CA-O 3.23Å; S54-S68 WeakPolarHBondContact CA-O 3.17Å; W55-S68 PolarHBondContact N-O 3.24Å; W55-S68 PolarHBondContact O-N 2.98Å; W66-S68 PolarHBondContact NE1-O 2.88Å; S68-N78 CarbonylContact C-O 3.53Å; S68-N78 WeakPolarHBondContact CA-O 3.28Å; S68-N78 VanDerWaalsContact CB-O 3.26Å; S68-N78 WeakPolarHBondContact CB-O 3.35Å; S68-Y79 VanDerWaalsContact CB-CD1 3.49Å
69	Y	97.3	Very high	94.3	Very high	48 Å²	48	61 Å²	61	19%	0.188	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	158.6	171.9	78.6	-112.1	0	0	0	111.6	Y52 M53 W66 T77 N78 I89	Y52-Y69 HydrophobicContact CD2-CD2 4.33Å; Y52-Y69 HydrophobicContact CE1-CD1 4.07Å; Y52-Y69 AromaticContact CE1-CD2 3.68Å; Y52-Y69 HydrophobicContact CE1-CD2 3.68Å; Y52-Y69 HydrophobicContact CE1-CE2 4.48Å; Y52-Y69 AromaticContact CE1-CG 3.47Å; Y52-Y69 HydrophobicContact CE1-CG 3.47Å; Y52-Y69 VanDerWaalsContact CE1-CG 3.47Å; Y52-Y69 AromaticContact CE2-CD2 3.37Å; Y52-Y69 HydrophobicContact CE2-CD2 3.37Å; Y52-Y69 AromaticContact CE2-CE2 3.51Å; Y52-Y69 HydrophobicContact CE2-CE2 3.51Å; Y52-Y69 HydrophobicContact CE2-CG 4.03Å; Y52-Y69 AromaticContact CZ-CD1 3.64Å; Y52-Y69 AromaticContact CZ-CD2 3.03Å; Y52-Y69 AromaticContact CZ-CE1 3.96Å; Y52-Y69 AromaticContact CZ-CE2 3.44Å; Y52-Y69 VanDerWaalsContact CZ-CE2 3.44Å; Y52-Y69 AromaticContact CZ-CG 3.19Å; Y52-Y69 AromaticContact CZ-CZ 3.88Å; Y52-Y69 WeakPolarHBondContact OH-CD1 3.42Å; Y52-Y69 WeakPolarHBondContact OH-CD2 3.39Å; Y52-Y69 WeakPolarHBondContact OH-CE1 3.45Å; Y52-Y69 WeakPolarHBondContact OH-CE2 3.46Å; M53-Y69 CarbonylContact O-C 3.6Å; M53-Y69 WeakPolarHBondContact O-CA 3.39Å; W66-Y69 HydrophobicContact CH2-CD1 4.14Å; W66-Y69 AromaticContact CZ2-CD1 3.38Å; W66-Y69 HydrophobicContact CZ2-CD1 3.38Å; W66-Y69 HydrophobicContact CZ2-CE1 4.28Å; W66-Y69 HydrophobicContact CZ2-CG 4.09Å; Y69-T77 WeakPolarHBondContact O-CA 3.33Å; Y69-T77 WeakPolarHBondContact O-CB 3.31Å; Y69-N78 HydrophobicContact CD1-CB 3.68Å; Y69-N78 HydrophobicContact CE1-CB 3.15Å; Y69-N78 HydrophobicContact CE2-CB 4.42Å; Y69-N78 HydrophobicContact CG-CB 4.48Å; Y69-N78 PolarHBondContact N-O 2.83Å; Y69-N78 PolarHBondContact O-N 2.84Å; Y69-I89 WeakPolarHBondContact O-CG2 3.43Å
70	I	97	Very high	94.6	Very high	11 Å²	11	61 Å²	61	6%	0.056	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	133.8	167.4	-173	163.4	0	0	0	109.3	M53 S76 T77 I89 T91 L98	M53-I70 HydrophobicContact CB-CG2 3.94Å; M53-I70 PolarHBondContact N-O 2.65Å; M53-I70 PolarHBondContact O-N 3.48Å; I70-S76 WeakPolarHBondContact CA-O 3.4Å; I70-T77 HydrophobicContact CB-CG2 4.03Å; I70-T77 HydrophobicContact CD1-CG2 4.05Å; I70-T77 HydrophobicContact CG1-CG2 3.8Å; I70-I89 HydrophobicContact CB-CD1 4.06Å; I70-I89 HydrophobicContact CB-CG1 4.28Å; I70-I89 HydrophobicContact CB-CG2 4.08Å; I70-I89 HydrophobicContact CG2-CD1 3.74Å; I70-I89 HydrophobicContact CG2-CG1 4.04Å; I70-T91 HydrophobicContact CG2-CG2 3.98Å; I70-L98 HydrophobicContact CG2-CD1 3.85Å
71	S	95.1	Very high	94.9	Very high	11 Å²	11	62 Å²	62	8%	0.077	38%	0.381	C	S	.	.			trans	-69.4	162.4	174.1	64.2	0	0	0	0	111.9	S73 G74 C75 S76	S71-S73 PolarHBondContact O-N 3.11Å; S71-S73 PolarHBondContact OG-OG 2.82Å; S71-G74 WeakPolarHBondContact O-CA 3.46Å; S71-G74 PolarHBondContact O-N 2.74Å; S71-G74 PolarHBondContact OG-N 3.03Å; S71-C75 PolarHBondContact OG-N 3.35Å; S71-S76 WeakPolarHBondContact CB-OG 3.3Å; S71-S76 PolarHBondContact N-O 2.84Å; S71-S76 PolarHBondContact OG-N 3.34Å; S71-S76 PolarHBondContact OG-OG 2.89Å; S71-S76 VanDerWaalsContact OG-OG 3.14Å
72	S	92.3	Very high	95	Very high	63 Å²	63	60.7 Å²	60.7	44%	0.441	36%	0.356	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.7	-37.3	171.9	53.2	0	0	0	0	112.6	G49 S50 W51 G74	G49-S72 CarbonylContact O-C 3.34Å; G49-S72 WeakPolarHBondContact O-CA 3.26Å; G49-S72 WeakPolarHBondContact O-CB 3.29Å; S50-S72 VanDerWaalsContact C-CB 3.47Å; S50-S72 WeakPolarHBondContact O-CB 3.35Å; W51-S72 WeakPolarHBondContact O-CA 3.13Å; W51-S72 PolarHBondContact O-N 2.82Å; S72-G74 PolarHBondContact O-N 3.07Å
73	S	88.8	Confident	95.2	Very high	82 Å²	82	55 Å²	55	57%	0.573	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.3	-14.9	174.4	58.9	0	0	0	0	113.9	S71 C75	S71-S73 PolarHBondContact O-N 3.11Å; S71-S73 PolarHBondContact OG-OG 2.82Å; S73-C75 PolarHBondContact O-N 3.38Å; S73-C75 VanDerWaalsContact O-N 3.14Å; S73-C75 PolarHBondContact OG-N 2.87Å
74	G	88.3	Confident	95.3	Very high	37 Å²	37	58.7 Å²	58.7	38%	0.381	33%	0.334	S	S	.	.	S	Bend	trans	69.2	-3.2	-170	0	0	0	0	0	114.3	S71 S72	S71-G74 WeakPolarHBondContact O-CA 3.46Å; S71-G74 PolarHBondContact O-N 2.74Å; S71-G74 PolarHBondContact OG-N 3.03Å; S72-G74 PolarHBondContact O-N 3.07Å
75	C	89.3	Confident	95.4	Very high	117 Å²	117	57 Å²	57	79%	0.791	35%	0.345	S	S	*	.	S	Bend	trans	-80.9	-22.5	-174.9	-58.2	0	0	0	0	113.6	S71 S73	S71-C75 PolarHBondContact OG-N 3.35Å; S73-C75 PolarHBondContact O-N 3.38Å; S73-C75 VanDerWaalsContact O-N 3.14Å; S73-C75 PolarHBondContact OG-N 2.87Å
76	S	93.7	Very high	95.4	Very high	49 Å²	49	54 Å²	54	34%	0.343	33%	0.33	S	S	.	.			trans	-118.3	127.1	176.2	57	0	0	0	0	110.9	I70 S71	I70-S76 WeakPolarHBondContact CA-O 3.4Å; S71-S76 WeakPolarHBondContact CB-OG 3.3Å; S71-S76 PolarHBondContact N-O 2.84Å; S71-S76 PolarHBondContact OG-N 3.34Å; S71-S76 PolarHBondContact OG-OG 2.89Å; S71-S76 VanDerWaalsContact OG-OG 3.14Å
77	T	97.1	Very high	95.4	Very high	60 Å²	60	49.5 Å²	49.5	37%	0.368	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	143.3	170	60.4	0	0	0	0	108.9	Y69 I70 I89	Y69-T77 WeakPolarHBondContact O-CA 3.33Å; Y69-T77 WeakPolarHBondContact O-CB 3.31Å; I70-T77 HydrophobicContact CB-CG2 4.03Å; I70-T77 HydrophobicContact CD1-CG2 4.05Å; I70-T77 HydrophobicContact CG1-CG2 3.8Å; T77-I89 HydrophobicContact CG2-CG2 3.87Å
78	N	97.7	Very high	95.4	Very high	67 Å²	67	52.5 Å²	52.5	36%	0.358	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	160.2	169.1	-159.5	1.8	0	0	0	109.9	W66 S68 Y69	W66-N78 HydrophobicContact CH2-CB 3.94Å; W66-N78 HydrophobicContact CZ2-CB 4.36Å; S68-N78 CarbonylContact C-O 3.53Å; S68-N78 WeakPolarHBondContact CA-O 3.28Å; S68-N78 VanDerWaalsContact CB-O 3.26Å; S68-N78 WeakPolarHBondContact CB-O 3.35Å; Y69-N78 HydrophobicContact CD1-CB 3.68Å; Y69-N78 HydrophobicContact CE1-CB 3.15Å; Y69-N78 HydrophobicContact CE2-CB 4.42Å; Y69-N78 HydrophobicContact CG-CB 4.48Å; Y69-N78 PolarHBondContact N-O 2.83Å; Y69-N78 PolarHBondContact O-N 2.84Å
79	Y	98.3	Very high	95.4	Very high	36 Å²	36	52.8 Å²	52.8	14%	0.141	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	144.4	-175.2	-58.7	-88.3	0	0	0	109.1	W66 V67 S68 F87 T88 I89	W66-Y79 VanDerWaalsContact CZ3-C 3.47Å; V67-Y79 WeakPolarHBondContact O-CA 3.27Å; S68-Y79 VanDerWaalsContact CB-CD1 3.49Å; Y79-F87 HydrophobicContact CD1-CB 4.46Å; Y79-F87 WeakPolarHBondContact CE1-O 3.32Å; Y79-T88 WeakPolarHBondContact OH-CA 3.47Å; Y79-I89 HydrophobicContact CE1-CB 4.35Å; Y79-I89 HydrophobicContact CE1-CG2 3.96Å; Y79-I89 PolarHBondContact OH-N 3.24Å; Y79-I89 VanDerWaalsContact OH-N 3.11Å
80	A	97.7	Very high	95.3	Very high	16 Å²	16	52.7 Å²	52.7	13%	0.132	34%	0.339	C	S	.	.			trans	-61.6	145.1	168.1	0	0	0	0	0	109.7	W66 V67 S82 V83 K84	W66-A80 HydrophobicContact CE3-CB 4.01Å; W66-A80 HydrophobicContact CZ3-CB 4Å; W66-A80 WeakPolarHBondContact O-CB 3.22Å; V67-A80 PolarHBondContact O-N 3.35Å; A80-S82 PolarHBondContact O-N 3.01Å; A80-S82 VanDerWaalsContact O-N 3.1Å; A80-V83 HydrophobicContact CB-CG2 4.25Å; A80-V83 WeakPolarHBondContact O-CG2 3.19Å; A80-V83 PolarHBondContact O-N 3.29Å; A80-K84 PolarHBondContact O-N 2.82Å
81	D	97.4	Very high	95.2	Very high	140 Å²	140	54.1 Å²	54.1	75%	0.749	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.6	-29.4	-175.9	-69.4	-32.6	0	0	0	112.5	V83	D81-V83 VanDerWaalsContact C-N 3.26Å; D81-V83 PolarHBondContact O-N 2.58Å
82	S	95	Very high	95.1	Very high	68 Å²	68	55.4 Å²	55.4	48%	0.476	35%	0.354	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.3	-28.5	176.2	56	0	0	0	0	113.8	A80 R86	A80-S82 PolarHBondContact O-N 3.01Å; A80-S82 VanDerWaalsContact O-N 3.1Å; S82-R86 PolarHBondContact O-NE 2.85Å; S82-R86 PolarHBondContact O-NH2 3.19Å
83	V	96.8	Very high	95.1	Very high	0 Å²	0	56.9 Å²	56.9	0%	0	36%	0.357	C	S	.	.	T	Hydrogen-bonded Turn	trans	-118.2	-4.5	-174.6	-57.3	0	0	0	0	113.4	V67 A80 D81 G85 R86 F87	V67-V83 HydrophobicContact CG1-CG1 4.47Å; V67-V83 HydrophobicContact CG1-CG2 3.99Å; A80-V83 HydrophobicContact CB-CG2 4.25Å; A80-V83 WeakPolarHBondContact O-CG2 3.19Å; A80-V83 PolarHBondContact O-N 3.29Å; D81-V83 VanDerWaalsContact C-N 3.26Å; D81-V83 PolarHBondContact O-N 2.58Å; V83-G85 PolarHBondContact O-N 3.12Å; V83-R86 WeakPolarHBondContact O-CB 3.45Å; V83-R86 PolarHBondContact O-N 2.82Å; V83-F87 HydrophobicContact CB-CB 4.12Å; V83-F87 HydrophobicContact CB-CD1 4.19Å; V83-F87 HydrophobicContact CB-CD2 3.52Å; V83-F87 HydrophobicContact CB-CE1 4.5Å; V83-F87 HydrophobicContact CB-CE2 3.9Å; V83-F87 HydrophobicContact CB-CG 3.69Å; V83-F87 HydrophobicContact CB-CZ 4.36Å; V83-F87 HydrophobicContact CG1-CD2 3.59Å; V83-F87 HydrophobicContact CG1-CE1 4.39Å; V83-F87 HydrophobicContact CG1-CE2 3.41Å; V83-F87 VanDerWaalsContact CG1-CE2 3.41Å; V83-F87 HydrophobicContact CG1-CG 4.17Å; V83-F87 HydrophobicContact CG1-CZ 3.85Å; V83-F87 HydrophobicContact CG2-CB 4.32Å; V83-F87 HydrophobicContact CG2-CD2 3.98Å; V83-F87 HydrophobicContact CG2-CG 4.3Å; V83-F87 PolarHBondContact O-N 2.89Å
84	K	96.8	Very high	95.3	Very high	127 Å²	127	58.1 Å²	58.1	55%	0.552	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.2	131	-178.8	-165.2	170.2	-171.7	170.3	0	111.1	A80 R86	A80-K84 PolarHBondContact O-N 2.82Å; K84-R86 PolarHBondContact O-N 2.75Å
85	G	96.4	Very high	95.5	Very high	81 Å²	81	62.3 Å²	62.3	84%	0.835	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	77.3	-4.3	-176.1	0	0	0	0	0	115.2	V83	V83-G85 PolarHBondContact O-N 3.12Å
86	R	96.4	Very high	95.7	Very high	22 Å²	22	58.6 Å²	58.6	8%	0.083	35%	0.346	C	S	.	.	T	Hydrogen-bonded Turn	trans	-109.1	-40.8	176.6	-60.3	-168.2	-60	117.1	-0.2	111.8	S82 V83 K84 N103 S104 D109	S82-R86 PolarHBondContact O-NE 2.85Å; S82-R86 PolarHBondContact O-NH2 3.19Å; V83-R86 WeakPolarHBondContact O-CB 3.45Å; V83-R86 PolarHBondContact O-N 2.82Å; K84-R86 PolarHBondContact O-N 2.75Å; R86-N103 WeakPolarHBondContact CB-O 3.03Å; R86-N103 WeakPolarHBondContact O-CB 2.92Å; R86-N103 PolarHBondContact O-N 3.32Å; R86-N103 PolarHBondContact O-ND2 3.44Å; R86-S104 PolarHBondContact NH1-O 2.93Å; R86-D109 IonicContact CZ-OD1 3.47Å; R86-D109 IonicContact CZ-OD2 3.68Å; R86-D109 IonicContact NH1-OD1 3.63Å; R86-D109 IonicContact NH1-OD2 2.68Å; R86-D109 PolarHBondContact NH1-OD2 3.33Å; R86-D109 IonicContact NH2-OD1 3.24Å; R86-D109 PolarHBondContact NH2-OD1 3.5Å; R86-D109 IonicContact NH2-OD2 2.8Å; R86-D109 PolarHBondContact NH2-OD2 3.4Å
87	F	97.2	Very high	95.8	Very high	4 Å²	4	56.9 Å²	56.9	2%	0.018	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	156	-175.7	-67.5	10.9	0	0	0	111.4	V67 Y79 V83 L100 Q101 M102 L105 D109 Y113	V67-F87 HydrophobicContact CG1-CD2 3.86Å; V67-F87 HydrophobicContact CG1-CE2 4.24Å; Y79-F87 HydrophobicContact CD1-CB 4.46Å; Y79-F87 WeakPolarHBondContact CE1-O 3.32Å; V83-F87 HydrophobicContact CB-CB 4.12Å; V83-F87 HydrophobicContact CB-CD1 4.19Å; V83-F87 HydrophobicContact CB-CD2 3.52Å; V83-F87 HydrophobicContact CB-CE1 4.5Å; V83-F87 HydrophobicContact CB-CE2 3.9Å; V83-F87 HydrophobicContact CB-CG 3.69Å; V83-F87 HydrophobicContact CB-CZ 4.36Å; V83-F87 HydrophobicContact CG1-CD2 3.59Å; V83-F87 HydrophobicContact CG1-CE1 4.39Å; V83-F87 HydrophobicContact CG1-CE2 3.41Å; V83-F87 VanDerWaalsContact CG1-CE2 3.41Å; V83-F87 HydrophobicContact CG1-CG 4.17Å; V83-F87 HydrophobicContact CG1-CZ 3.85Å; V83-F87 HydrophobicContact CG2-CB 4.32Å; V83-F87 HydrophobicContact CG2-CD2 3.98Å; V83-F87 HydrophobicContact CG2-CG 4.3Å; V83-F87 PolarHBondContact O-N 2.89Å; F87-L100 HydrophobicContact CB-CD1 4.19Å; F87-L100 HydrophobicContact CD2-CD1 4.34Å; F87-L100 HydrophobicContact CD2-CD2 4.17Å; F87-L100 HydrophobicContact CD2-CG 4.42Å; F87-Q101 CarbonylContact C-O 3.55Å; F87-Q101 WeakPolarHBondContact CA-O 3.38Å; F87-M102 HydrophobicContact CD1-CB 3.7Å; F87-M102 HydrophobicContact CD1-CG 3.74Å; F87-M102 HydrophobicContact CD2-CG 3.71Å; F87-M102 HydrophobicContact CD2-SD 4.21Å; F87-M102 HydrophobicContact CE1-CB 3.53Å; F87-M102 HydrophobicContact CE1-CG 3.69Å; F87-M102 HydrophobicContact CE1-SD 4.31Å; F87-M102 HydrophobicContact CE2-CB 4.39Å; F87-M102 HydrophobicContact CE2-CG 3.63Å; F87-M102 HydrophobicContact CE2-SD 3.61Å; F87-M102 HydrophobicContact CG-CB 4.24Å; F87-M102 HydrophobicContact CG-CG 3.78Å; F87-M102 HydrophobicContact CZ-CB 3.9Å; F87-M102 HydrophobicContact CZ-CG 3.63Å; F87-M102 HydrophobicContact CZ-SD 3.67Å; F87-L105 HydrophobicContact CE1-CD2 4.25Å; F87-L105 HydrophobicContact CZ-CD2 4.22Å; F87-D109 HydrophobicContact CZ-CB 4.07Å; F87-Y113 HydrophobicContact CE2-CE1 4.36Å
88	T	97.4	Very high	95.7	Very high	63 Å²	63	54.1 Å²	54.1	39%	0.387	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	118.9	178.2	-54	0	0	0	0	109.4	Y79 Q101	Y79-T88 WeakPolarHBondContact OH-CA 3.47Å; T88-Q101 PolarHBondContact N-O 2.96Å; T88-Q101 PolarHBondContact O-N 2.9Å
89	I	97.2	Very high	95.6	Very high	6 Å²	6	52.5 Å²	52.5	3%	0.031	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	140.8	174.8	-171.2	174.4	0	0	0	109.3	Y69 I70 T77 Y79 L98 Y99 L100	Y69-I89 WeakPolarHBondContact O-CG2 3.43Å; I70-I89 HydrophobicContact CB-CD1 4.06Å; I70-I89 HydrophobicContact CB-CG1 4.28Å; I70-I89 HydrophobicContact CB-CG2 4.08Å; I70-I89 HydrophobicContact CG2-CD1 3.74Å; I70-I89 HydrophobicContact CG2-CG1 4.04Å; T77-I89 HydrophobicContact CG2-CG2 3.87Å; Y79-I89 HydrophobicContact CE1-CB 4.35Å; Y79-I89 HydrophobicContact CE1-CG2 3.96Å; Y79-I89 PolarHBondContact OH-N 3.24Å; Y79-I89 VanDerWaalsContact OH-N 3.11Å; I89-L98 HydrophobicContact CD1-CD1 4Å; I89-L98 HydrophobicContact CG1-CD1 3.91Å; I89-Y99 WeakPolarHBondContact CA-O 3.35Å; I89-L100 HydrophobicContact CB-CD1 4.37Å
90	S	95.9	Very high	95.5	Very high	46 Å²	46	50.8 Å²	50.8	32%	0.322	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.3	160.1	174.9	59.2	0	0	0	0	111.5	Y99	S90-Y99 PolarHBondContact N-O 3.42Å; S90-Y99 VanDerWaalsContact N-O 3.07Å; S90-Y99 PolarHBondContact O-N 2.85Å
91	T	94.7	Very high	95.4	Very high	41 Å²	41	53 Å²	53	25%	0.252	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	147	174.6	49.3	0	0	0	0	110.1	V48 I70 T97 L98	V48-T91 HydrophobicContact CG1-CG2 4.38Å; V48-T91 HydrophobicContact CG2-CG2 3.91Å; I70-T91 HydrophobicContact CG2-CG2 3.98Å; T91-T97 CarbonylContact C-O 3.53Å; T91-T97 WeakPolarHBondContact CA-O 3.47Å; T91-L98 HydrophobicContact CG2-CD1 3.43Å; T91-L98 VanDerWaalsContact CG2-CD1 3.43Å
92	D	93.9	Very high	95.3	Very high	39 Å²	39	46.4 Å²	46.4	21%	0.209	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	101.3	164.9	-176.3	-18	0	0	0	107.7	S94 K95 N96 T97 Y99	D92-S94 PolarHBondContact O-N 2.85Å; D92-S94 WeakPolarHBondContact OD1-CB 3.17Å; D92-S94 PolarHBondContact OD1-N 3.36Å; D92-S94 PolarHBondContact OD1-OG 3.39Å; D92-K95 HydrophobicContact CB-CB 4.29Å; D92-K95 CarbonylContact O-C 3.5Å; D92-K95 PolarHBondContact O-N 2.88Å; D92-K95 PolarHBondContact OD1-N 3.23Å; D92-K95 WeakPolarHBondContact OD2-CD 2.88Å; D92-K95 VanDerWaalsContact OD2-CE 3.22Å; D92-K95 WeakPolarHBondContact OD2-CE 3.41Å; D92-K95 WeakPolarHBondContact OD2-CG 3.43Å; D92-K95 IonicContact OD2-NZ 3.35Å; D92-K95 PolarHBondContact OD2-NZ 3.25Å; D92-N96 PolarHBondContact O-N 3.27Å; D92-T97 PolarHBondContact N-O 2.79Å; D92-T97 PolarHBondContact O-N 2.79Å; D92-Y99 HydrophobicContact CB-CD2 4.4Å; D92-Y99 HydrophobicContact CB-CE2 3.66Å
93	N	91.4	Very high	95.2	Very high	93 Å²	93	45.6 Å²	45.6	50%	0.497	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66	-27.3	-178	-66.6	-15.4	0	0	0	112.2	G49 K95 N96	G49-N93 WeakPolarHBondContact CA-OD1 3.2Å; G49-N93 PolarHBondContact N-OD1 2.94Å; N93-K95 VanDerWaalsContact C-N 3.3Å; N93-N96 PolarHBondContact O-N 3.05Å
94	S	92.6	Very high	95.1	Very high	108 Å²	108	49 Å²	49	76%	0.755	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.5	-32.6	177.7	76.1	0	0	0	0	111.8	D92	D92-S94 PolarHBondContact O-N 2.85Å; D92-S94 WeakPolarHBondContact OD1-CB 3.17Å; D92-S94 PolarHBondContact OD1-N 3.36Å; D92-S94 PolarHBondContact OD1-OG 3.39Å
95	K	93.5	Very high	94.9	Very high	125 Å²	125	43.9 Å²	43.9	54%	0.543	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.4	1.1	177.4	-62	-179.6	-167.5	152.9	0	113.5	D92 N93 T97	D92-K95 HydrophobicContact CB-CB 4.29Å; D92-K95 CarbonylContact O-C 3.5Å; D92-K95 PolarHBondContact O-N 2.88Å; D92-K95 PolarHBondContact OD1-N 3.23Å; D92-K95 WeakPolarHBondContact OD2-CD 2.88Å; D92-K95 VanDerWaalsContact OD2-CE 3.22Å; D92-K95 WeakPolarHBondContact OD2-CE 3.41Å; D92-K95 WeakPolarHBondContact OD2-CG 3.43Å; D92-K95 IonicContact OD2-NZ 3.35Å; D92-K95 PolarHBondContact OD2-NZ 3.25Å; N93-K95 VanDerWaalsContact C-N 3.3Å; K95-T97 PolarHBondContact O-N 2.84Å; K95-T97 VanDerWaalsContact O-N 3.15Å; K95-T97 PolarHBondContact O-OG1 2.76Å
96	N	93.4	Very high	94.7	Very high	39 Å²	39	46.4 Å²	46.4	21%	0.209	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	48.8	39.6	-173.5	-155.1	36.8	0	0	0	113.5	A43 F46 T47 V48 D92 N93	A43-N96 PolarHBondContact N-O 2.83Å; A43-N96 PolarHBondContact O-ND2 3.25Å; F46-N96 PolarHBondContact O-ND2 2.89Å; F46-N96 PolarHBondContact O-OD1 3.15Å; T47-N96 VanDerWaalsContact CA-OD1 3.29Å; T47-N96 WeakPolarHBondContact CA-OD1 3.23Å; V48-N96 PolarHBondContact N-OD1 2.81Å; D92-N96 PolarHBondContact O-N 3.27Å; N93-N96 PolarHBondContact O-N 3.05Å
97	T	94.8	Very high	94.4	Very high	14 Å²	14	50 Å²	50	9%	0.086	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	137.9	-168.9	-62	0	0	0	0	111.6	G41 T91 D92 K95 Y99	G41-T97 WeakPolarHBondContact O-CA 3.47Å; T91-T97 CarbonylContact C-O 3.53Å; T91-T97 WeakPolarHBondContact CA-O 3.47Å; D92-T97 PolarHBondContact N-O 2.79Å; D92-T97 PolarHBondContact O-N 2.79Å; K95-T97 PolarHBondContact O-N 2.84Å; K95-T97 VanDerWaalsContact O-N 3.15Å; K95-T97 PolarHBondContact O-OG1 2.76Å; T97-Y99 HydrophobicContact CG2-CD1 4.24Å; T97-Y99 HydrophobicContact CG2-CD2 4.34Å; T97-Y99 HydrophobicContact CG2-CE1 3.73Å; T97-Y99 HydrophobicContact CG2-CE2 3.83Å; T97-Y99 VanDerWaalsContact CG2-CZ 3.48Å
98	L	95.3	Very high	94.1	Very high	1 Å²	1	56.4 Å²	56.4	1%	0.005	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	137.6	168.7	-174.3	71	0	0	0	109.5	S40 G41 V48 M53 W55 I70 I89 T91 C115	S40-L98 CarbonylContact C-O 3.52Å; S40-L98 WeakPolarHBondContact CA-O 3.18Å; G41-L98 PolarHBondContact N-O 3.41Å; G41-L98 PolarHBondContact O-N 3.19Å; V48-L98 HydrophobicContact CG2-CB 4.2Å; M53-L98 HydrophobicContact CB-CD1 3.8Å; M53-L98 HydrophobicContact CB-CD2 3.98Å; M53-L98 HydrophobicContact CB-CG 4.49Å; M53-L98 HydrophobicContact CE-CD2 4.22Å; M53-L98 HydrophobicContact CG-CD1 4.46Å; W55-L98 HydrophobicContact CD2-CD2 4.28Å; W55-L98 HydrophobicContact CG-CD2 4.38Å; W55-L98 HydrophobicContact CZ2-CB 4.48Å; W55-L98 HydrophobicContact CZ2-CD2 4.11Å; W55-L98 HydrophobicContact CZ2-CG 4.16Å; W55-L98 VanDerWaalsContact NE1-CD2 3.3Å; I70-L98 HydrophobicContact CG2-CD1 3.85Å; I89-L98 HydrophobicContact CD1-CD1 4Å; I89-L98 HydrophobicContact CG1-CD1 3.91Å; T91-L98 HydrophobicContact CG2-CD1 3.43Å; T91-L98 VanDerWaalsContact CG2-CD1 3.43Å; L98-C115 HydrophobicContact CD2-CB 3.73Å
99	Y	95.6	Very high	93.9	Very high	33 Å²	33	54 Å²	54	13%	0.129	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	147.7	177.5	-64.2	-75.4	0	0	0	111.3	K38 L39 S40 W55 I89 S90 D92 T97	K38-Y99 HydrophobicContact CD-CD1 4.44Å; K38-Y99 HydrophobicContact CG-CD1 4.44Å; L39-Y99 VanDerWaalsContact O-CA 3.28Å; L39-Y99 WeakPolarHBondContact O-CA 2.98Å; L39-Y99 WeakPolarHBondContact O-CD1 3.48Å; S40-Y99 VanDerWaalsContact CB-CD1 3.46Å; W55-Y99 PolarHBondContact NE1-O 3.14Å; I89-Y99 WeakPolarHBondContact CA-O 3.35Å; S90-Y99 PolarHBondContact N-O 3.42Å; S90-Y99 VanDerWaalsContact N-O 3.07Å; S90-Y99 PolarHBondContact O-N 2.85Å; D92-Y99 HydrophobicContact CB-CD2 4.4Å; D92-Y99 HydrophobicContact CB-CE2 3.66Å; T97-Y99 HydrophobicContact CG2-CD1 4.24Å; T97-Y99 HydrophobicContact CG2-CD2 4.34Å; T97-Y99 HydrophobicContact CG2-CE1 3.73Å; T97-Y99 HydrophobicContact CG2-CE2 3.83Å; T97-Y99 VanDerWaalsContact CG2-CZ 3.48Å
100	L	96.6	Very high	93.7	Very high	0 Å²	0	58.3 Å²	58.3	0%	0	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	107.1	165.5	-173.1	63.6	0	0	0	108.6	K38 L39 W55 V67 F87 I89 M102 Y113	K38-L100 WeakPolarHBondContact CA-O 3.15Å; L39-L100 HydrophobicContact CB-CB 4.32Å; L39-L100 PolarHBondContact N-O 3.23Å; L39-L100 PolarHBondContact O-N 3.34Å; W55-L100 HydrophobicContact CB-CD2 4.16Å; W55-L100 HydrophobicContact CD2-CB 4.05Å; W55-L100 HydrophobicContact CD2-CD2 4.25Å; W55-L100 HydrophobicContact CG-CB 4.12Å; W55-L100 HydrophobicContact CG-CD1 4.43Å; W55-L100 HydrophobicContact CG-CD2 3.97Å; W55-L100 HydrophobicContact CG-CG 4.41Å; W55-L100 HydrophobicContact CZ2-CB 4.21Å; V67-L100 HydrophobicContact CG1-CD2 4.13Å; F87-L100 HydrophobicContact CB-CD1 4.19Å; F87-L100 HydrophobicContact CD2-CD1 4.34Å; F87-L100 HydrophobicContact CD2-CD2 4.17Å; F87-L100 HydrophobicContact CD2-CG 4.42Å; I89-L100 HydrophobicContact CB-CD1 4.37Å; L100-M102 HydrophobicContact CD2-CG 4.1Å; L100-M102 HydrophobicContact CD2-SD 3.98Å; L100-M102 HydrophobicContact CG-CG 3.9Å; L100-M102 HydrophobicContact CG-SD 4.39Å; L100-Y113 HydrophobicContact CD2-CD1 3.81Å; L100-Y113 HydrophobicContact CD2-CE1 3.86Å
101	Q	95.5	Very high	93.5	Very high	63 Å²	63	57.2 Å²	57.2	29%	0.294	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	127.1	170.4	179.8	172.4	-33.4	0	0	109	Y36 F87 T88 N103	Y36-Q101 HydrophobicContact CD2-CG 4.32Å; Y36-Q101 HydrophobicContact CE2-CG 3.38Å; F87-Q101 CarbonylContact C-O 3.55Å; F87-Q101 WeakPolarHBondContact CA-O 3.38Å; T88-Q101 PolarHBondContact N-O 2.96Å; T88-Q101 PolarHBondContact O-N 2.9Å; Q101-N103 PolarHBondContact NE2-OD1 2.93Å
102	M	94.9	Very high	93.5	Very high	1 Å²	1	58.8 Å²	58.8	1%	0.005	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	112.1	-177.7	-61.6	-179.8	-75.9	0	0	108.9	Y36 L37 L39 F87 L100 L105 Y113	Y36-M102 WeakPolarHBondContact CA-O 3.45Å; L37-M102 HydrophobicContact CB-CE 3.91Å; L37-M102 HydrophobicContact CD2-CE 3.6Å; L37-M102 HydrophobicContact CG-CE 3.71Å; L37-M102 PolarHBondContact N-O 3.14Å; L37-M102 WeakPolarHBondContact O-CA 3.1Å; L37-M102 WeakPolarHBondContact O-CB 3.43Å; L37-M102 PolarHBondContact O-N 2.91Å; L39-M102 HydrophobicContact CD1-CE 3.42Å; L39-M102 VanDerWaalsContact CD1-CE 3.42Å; L39-M102 HydrophobicContact CD1-SD 4.26Å; L39-M102 HydrophobicContact CD2-CE 4.26Å; L39-M102 HydrophobicContact CG-CE 3.42Å; L39-M102 VanDerWaalsContact CG-CE 3.42Å; F87-M102 HydrophobicContact CD1-CB 3.7Å; F87-M102 HydrophobicContact CD1-CG 3.74Å; F87-M102 HydrophobicContact CD2-CG 3.71Å; F87-M102 HydrophobicContact CD2-SD 4.21Å; F87-M102 HydrophobicContact CE1-CB 3.53Å; F87-M102 HydrophobicContact CE1-CG 3.69Å; F87-M102 HydrophobicContact CE1-SD 4.31Å; F87-M102 HydrophobicContact CE2-CB 4.39Å; F87-M102 HydrophobicContact CE2-CG 3.63Å; F87-M102 HydrophobicContact CE2-SD 3.61Å; F87-M102 HydrophobicContact CG-CB 4.24Å; F87-M102 HydrophobicContact CG-CG 3.78Å; F87-M102 HydrophobicContact CZ-CB 3.9Å; F87-M102 HydrophobicContact CZ-CG 3.63Å; F87-M102 HydrophobicContact CZ-SD 3.67Å; L100-M102 HydrophobicContact CD2-CG 4.1Å; L100-M102 HydrophobicContact CD2-SD 3.98Å; L100-M102 HydrophobicContact CG-CG 3.9Å; L100-M102 HydrophobicContact CG-SD 4.39Å; M102-L105 HydrophobicContact CB-CD2 3.76Å; M102-L105 HydrophobicContact CB-CG 4.3Å; M102-L105 HydrophobicContact SD-CD2 4.21Å; M102-Y113 HydrophobicContact SD-CE1 4.16Å; M102-Y113 HydrophobicContact SD-CE2 4.41Å
103	N	93.6	Very high	93.5	Very high	51 Å²	51	58 Å²	58	27%	0.273	31%	0.311	S	S	.	.			trans	-105.5	157	175.4	-45.7	-81.8	0	0	0	109.4	Y36 R86 Q101 L105	Y36-N103 VanDerWaalsContact CD2-OD1 3.26Å; Y36-N103 WeakPolarHBondContact CD2-OD1 3.33Å; R86-N103 WeakPolarHBondContact CB-O 3.03Å; R86-N103 WeakPolarHBondContact O-CB 2.92Å; R86-N103 PolarHBondContact O-N 3.32Å; R86-N103 PolarHBondContact O-ND2 3.44Å; Q101-N103 PolarHBondContact NE2-OD1 2.93Å; N103-L105 VanDerWaalsContact C-N 3.29Å; N103-L105 PolarHBondContact O-N 3.4Å
104	S	93.8	Very high	93.6	Very high	73 Å²	73	57.8 Å²	57.8	51%	0.51	30%	0.304	S	S	.	.	S	Bend	trans	51.1	50.3	176.9	-55	0	0	0	0	111.9	G35 R86	G35-S104 PolarHBondContact O-N 3.31Å; G35-S104 VanDerWaalsContact O-N 3.15Å; R86-S104 PolarHBondContact NH1-O 2.93Å
105	L	93.2	Very high	93.6	Very high	18 Å²	18	53.8 Å²	53.8	9%	0.094	28%	0.276	C	S	.	.			trans	-56.5	142.5	-179.2	-78.2	165.4	0	0	0	111.3	A31 P33 G34 G35 L37 F87 M102 N103 D109	A31-L105 HydrophobicContact CB-CD1 3.35Å; P33-L105 CarbonylContact C-O 3.59Å; G34-L105 PolarHBondContact N-O 3.02Å; G35-L105 PolarHBondContact O-N 3.23Å; L37-L105 HydrophobicContact CB-CD1 3.7Å; F87-L105 HydrophobicContact CE1-CD2 4.25Å; F87-L105 HydrophobicContact CZ-CD2 4.22Å; M102-L105 HydrophobicContact CB-CD2 3.76Å; M102-L105 HydrophobicContact CB-CG 4.3Å; M102-L105 HydrophobicContact SD-CD2 4.21Å; N103-L105 VanDerWaalsContact C-N 3.29Å; N103-L105 PolarHBondContact O-N 3.4Å; L105-D109 HydrophobicContact CD2-CB 4.05Å
106	R	92.2	Very high	93.5	Very high	134 Å²	134	49.3 Å²	49.3	51%	0.506	26%	0.262	S	S	.	.			trans	-119.5	165.1	175.7	-52	175.7	174	162.9	-2.6	109.7	E108 D109	R106-E108 WeakPolarHBondContact CB-OE2 3.4Å; R106-E108 PolarHBondContact O-N 3.16Å; R106-D109 PolarHBondContact N-OD2 2.75Å; R106-D109 WeakPolarHBondContact O-CB 3.5Å; R106-D109 PolarHBondContact O-N 2.79Å; R106-D109 VanDerWaalsContact O-N 3.08Å
107	V	90.1	Very high	93.4	Very high	98 Å²	98	54.7 Å²	54.7	59%	0.594	28%	0.279	S	S	*	.	G	3₁₀ helix	trans	-60.6	-33	178.6	179.3	0	0	0	0	110.4	P33 D109 T110	P33-V107 HydrophobicContact CG-CG2 4Å; V107-D109 PolarHBondContact O-N 3.3Å; V107-T110 VanDerWaalsContact O-CB 3.29Å; V107-T110 WeakPolarHBondContact O-CB 3.47Å; V107-T110 PolarHBondContact O-N 3.36Å; V107-T110 VanDerWaalsContact O-N 3.16Å; V107-T110 PolarHBondContact O-OG1 3.41Å
108	E	91.3	Very high	93.3	Very high	139 Å²	139	56.7 Å²	56.7	65%	0.65	29%	0.289	S	S	*	.	G	3₁₀ helix	trans	-69	-17.4	179.2	-54.2	76.2	-160.3	0	0	113.6	R106 T110	R106-E108 WeakPolarHBondContact CB-OE2 3.4Å; R106-E108 PolarHBondContact O-N 3.16Å; E108-T110 PolarHBondContact O-N 3.41Å
109	D	92.5	Very high	93.2	Very high	12 Å²	12	59.6 Å²	59.6	6%	0.064	30%	0.304	C	S	.	.	G	3₁₀ helix	trans	-79.1	-1.7	175.7	-56.2	-43.6	0	0	0	112	R86 F87 L105 R106 V107 A111 Y113	R86-D109 IonicContact CZ-OD1 3.47Å; R86-D109 IonicContact CZ-OD2 3.68Å; R86-D109 IonicContact NH1-OD1 3.63Å; R86-D109 IonicContact NH1-OD2 2.68Å; R86-D109 PolarHBondContact NH1-OD2 3.33Å; R86-D109 IonicContact NH2-OD1 3.24Å; R86-D109 PolarHBondContact NH2-OD1 3.5Å; R86-D109 IonicContact NH2-OD2 2.8Å; R86-D109 PolarHBondContact NH2-OD2 3.4Å; F87-D109 HydrophobicContact CZ-CB 4.07Å; L105-D109 HydrophobicContact CD2-CB 4.05Å; R106-D109 PolarHBondContact N-OD2 2.75Å; R106-D109 WeakPolarHBondContact O-CB 3.5Å; R106-D109 PolarHBondContact O-N 2.79Å; R106-D109 VanDerWaalsContact O-N 3.08Å; V107-D109 PolarHBondContact O-N 3.3Å; D109-A111 PolarHBondContact O-N 3.02Å; D109-Y113 WeakPolarHBondContact O-CE2 3.42Å; D109-Y113 PolarHBondContact O-OH 3.41Å
110	T	92.1	Very high	93	Very high	96 Å²	96	61.1 Å²	61.1	59%	0.589	31%	0.314	S	S	*	.			trans	-70.5	101.9	178.9	-52.9	0	0	0	0	110.4	V107 E108	V107-T110 VanDerWaalsContact O-CB 3.29Å; V107-T110 WeakPolarHBondContact O-CB 3.47Å; V107-T110 PolarHBondContact O-N 3.36Å; V107-T110 VanDerWaalsContact O-N 3.16Å; V107-T110 PolarHBondContact O-OG1 3.41Å; E108-T110 PolarHBondContact O-N 3.41Å
111	A	92.8	Very high	92.8	Very high	24 Å²	24	64.7 Å²	64.7	20%	0.198	33%	0.332	C	S	.	.	S	Bend	trans	-156.4	165.8	-177.6	0	0	0	0	0	110.8	H57 Q58 A59 D109 Y113	H57-A111 HydrophobicContact CB-CB 3.75Å; H57-A111 WeakPolarHBondContact ND1-CB 3.34Å; Q58-A111 WeakPolarHBondContact O-CA 3.42Å; Q58-A111 WeakPolarHBondContact O-CB 3.49Å; A59-A111 HydrophobicContact CB-CB 4.39Å; D109-A111 PolarHBondContact O-N 3.02Å; A111-Y113 HydrophobicContact CB-CD2 4.47Å; A111-Y113 HydrophobicContact CB-CE2 4.04Å; A111-Y113 WeakPolarHBondContact O-CD2 3.5Å
112	V	93.9	Very high	92.7	Very high	74 Å²	74	64.8 Å²	64.8	45%	0.448	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	132.1	162	-175.7	0	0	0	0	107.9	H57 Q58 Y114	H57-V112 CarbonylContact C-O 3.44Å; H57-V112 WeakPolarHBondContact CA-O 3.29Å; Q58-V112 PolarHBondContact N-O 3.3Å; Q58-V112 PolarHBondContact O-N 3.48Å; V112-Y114 HydrophobicContact CB-CE2 3.99Å; V112-Y114 HydrophobicContact CG1-CD2 4.49Å; V112-Y114 HydrophobicContact CG1-CE1 3.82Å; V112-Y114 HydrophobicContact CG1-CE2 3.78Å; V112-Y114 WeakPolarHBondContact CG1-OH 3.36Å
113	Y	94.8	Very high	92.5	Very high	23 Å²	23	69.1 Å²	69.1	9%	0.09	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	131.1	-179.8	-75.1	-100.7	0	0	0	110.5	L39 I56 H57 V67 F87 L100 M102 D109 A111	L39-Y113 HydrophobicContact CD1-CD1 4.06Å; L39-Y113 HydrophobicContact CD1-CD2 3.86Å; L39-Y113 HydrophobicContact CD1-CG 3.55Å; I56-Y113 CarbonylContact O-C 3.53Å; I56-Y113 WeakPolarHBondContact O-CA 3.08Å; H57-Y113 HydrophobicContact CB-CD1 3.66Å; H57-Y113 HydrophobicContact CB-CD2 4.26Å; H57-Y113 HydrophobicContact CB-CE1 3.61Å; H57-Y113 HydrophobicContact CB-CE2 4.22Å; H57-Y113 HydrophobicContact CB-CG 3.98Å; H57-Y113 AromaticContact ND1-CZ 3.84Å; V67-Y113 HydrophobicContact CG1-CE1 4.33Å; V67-Y113 HydrophobicContact CG2-CD1 4.31Å; V67-Y113 HydrophobicContact CG2-CE1 3.92Å; F87-Y113 HydrophobicContact CE2-CE1 4.36Å; L100-Y113 HydrophobicContact CD2-CD1 3.81Å; L100-Y113 HydrophobicContact CD2-CE1 3.86Å; M102-Y113 HydrophobicContact SD-CE1 4.16Å; M102-Y113 HydrophobicContact SD-CE2 4.41Å; D109-Y113 WeakPolarHBondContact O-CE2 3.42Å; D109-Y113 PolarHBondContact O-OH 3.41Å; A111-Y113 HydrophobicContact CB-CD2 4.47Å; A111-Y113 HydrophobicContact CB-CE2 4.04Å; A111-Y113 WeakPolarHBondContact O-CD2 3.5Å
114	Y	94.2	Very high	92.4	Very high	88 Å²	88	70.4 Å²	70.4	35%	0.345	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	134.9	179.9	-55.1	-81.4	0	0	0	109.4	W55 I56 Q58 L64 V112	W55-Y114 WeakPolarHBondContact CA-O 3.47Å; I56-Y114 PolarHBondContact N-O 3.31Å; I56-Y114 PolarHBondContact O-N 3.35Å; Q58-Y114 HydrophobicContact CB-CE2 3.93Å; L64-Y114 HydrophobicContact CD2-CD2 4.02Å; L64-Y114 HydrophobicContact CD2-CE2 4.1Å; V112-Y114 HydrophobicContact CB-CE2 3.99Å; V112-Y114 HydrophobicContact CG1-CD2 4.49Å; V112-Y114 HydrophobicContact CG1-CE1 3.82Å; V112-Y114 HydrophobicContact CG1-CE2 3.78Å; V112-Y114 WeakPolarHBondContact CG1-OH 3.36Å
115	C	91.9	Very high	92.3	Very high	23 Å²	23	70.2 Å²	70.2	16%	0.155	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	135.8	165.3	58.4	0	0	0	0	109.4	S54 W55 L98	S54-C115 CarbonylContact O-C 3.59Å; S54-C115 WeakPolarHBondContact O-CA 3.06Å; W55-C115 HydrophobicContact CD2-CB 4.4Å; W55-C115 HydrophobicContact CE3-CB 4.2Å; W55-C115 HydrophobicContact CH2-CB 4.14Å; W55-C115 HydrophobicContact CZ2-CB 4.33Å; W55-C115 HydrophobicContact CZ3-CB 4.07Å; L98-C115 HydrophobicContact CD2-CB 3.73Å
116	A	91.5	Very high	92.3	Very high	31 Å²	31	74.5 Å²	74.5	26%	0.256	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136	154.6	175.4	0	0	0	0	0	110.7	M53 S54 I56	M53-A116 WeakPolarHBondContact CA-O 3.34Å; S54-A116 PolarHBondContact N-O 3.1Å; S54-A116 PolarHBondContact O-N 3.43Å; I56-A116 HydrophobicContact CD1-CB 3.48Å; I56-A116 VanDerWaalsContact CD1-CB 3.48Å
117	R	90	Very high	92.3	Very high	152 Å²	152	69.1 Å²	69.1	57%	0.574	36%	0.36	S	S	*	.			trans	-101.9	0	167.9	172.8	175.7	68.3	-168.2	0.8	109.3	W51 Y52 M53	W51-R117 HydrophobicContact CB-CG 3.81Å; W51-R117 HydrophobicContact CD2-CG 4.37Å; W51-R117 HydrophobicContact CE3-CG 4.29Å; W51-R117 HydrophobicContact CG-CG 4.19Å; Y52-R117 WeakPolarHBondContact O-CA 3.25Å; M53-R117 HydrophobicContact CE-CB 4.49Å; M53-R117 HydrophobicContact SD-CB 3.89Å; M53-R117 HydrophobicContact SD-CG 4.39Å

Retrieved 117 of 117 residues in 55.3 ms (Link to these results)

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