A0A075B5Y4_MOUSE Loading...

Immunoglobulin heavy variable 1-81

AlphaFold DB , UniProt , Accession A0A075B5Y4, Species MOUSE (Mus musculus, Mouse), Gene Ighv1-81, Length 117 aa.

						>A0A075B5Y4_MOUSE|A0A075B5Y4|Ighv1-81
MEWIWIFLFILSGTAGVQSQVQLQQSGAELARPGASVKLSCKASGYTFTSYGISWVKQRTGQGLEWIGEIYPRSGNTYYNEKFKGKATLTADKSSSTAYMELRSLTSEDSAVYFCAR
					

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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	62.8	Low	63.6	Low	209 Å²	209	149.4 Å²	149.4	100%	1.03	70%	0.696	S	S	*	*				0	-11.9	0	-97.4	166	167	0	0	113.7	W3	M1-W3 PolarHBondContact O-N 3.13Å
2	E	62.7	Low	63.3	Low	154 Å²	154	145.1 Å²	145.1	72%	0.72	70%	0.695	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.6	-22.4	177.2	-69.4	-66	132.9	0	0	114.9	I4 W5	E2-I4 VanDerWaalsContact C-N 3.3Å; E2-I4 PolarHBondContact O-N 2.96Å; E2-W5 PolarHBondContact O-N 3.49Å
3	W	66.4	Low	63.1	Low	184 Å²	184	139.5 Å²	139.5	70%	0.697	70%	0.699	S	S	*	*	H	α-helix	trans	-71.4	-24.3	-174.3	-151.8	1.9	0	0	0	113.6	M1 W5 I6 F7	M1-W3 PolarHBondContact O-N 3.13Å; W3-W5 VanDerWaalsContact C-N 3.27Å; W3-W5 PolarHBondContact O-N 3.28Å; W3-I6 PolarHBondContact O-N 2.79Å; W3-F7 AromaticContact CD1-CE2 3.62Å; W3-F7 HydrophobicContact CD2-CE2 4.02Å; W3-F7 AromaticContact CE2-CE2 3.91Å; W3-F7 AromaticContact CG-CE2 3.88Å; W3-F7 HydrophobicContact CG-CE2 3.88Å; W3-F7 HydrophobicContact CZ2-CZ 4.35Å; W3-F7 AromaticContact NE1-CE2 3.63Å; W3-F7 AromaticContact NE1-CZ 3.82Å; W3-F7 WeakPolarHBondContact O-CD2 3.31Å
4	I	70.5	Confident	63.2	Low	109 Å²	109	139.3 Å²	139.3	56%	0.559	71%	0.709	S	S	*	*	H	α-helix	trans	-65.4	-31.5	-178.1	-68.5	165.3	0	0	0	111.4	E2	E2-I4 VanDerWaalsContact C-N 3.3Å; E2-I4 PolarHBondContact O-N 2.96Å
5	W	67.8	Low	63.3	Low	161 Å²	161	135.9 Å²	135.9	61%	0.61	71%	0.711	S	S	*	*	H	α-helix	trans	-73.6	-32.7	-179.6	-62.4	105.2	0	0	0	112.8	E2 W3 F7 L8 F9	E2-W5 PolarHBondContact O-N 3.49Å; W3-W5 VanDerWaalsContact C-N 3.27Å; W3-W5 PolarHBondContact O-N 3.28Å; W5-F7 VanDerWaalsContact C-N 3.32Å; W5-F7 PolarHBondContact O-N 3.44Å; W5-L8 PolarHBondContact O-N 3.33Å; W5-F9 WeakPolarHBondContact O-CD2 3.2Å
6	I	66.5	Low	63.3	Low	103 Å²	103	131.6 Å²	131.6	53%	0.528	71%	0.709	S	S	.	*	H	α-helix	trans	-66.7	-34.9	179.2	-64.3	170.9	0	0	0	111.2	W3 L8	W3-I6 PolarHBondContact O-N 2.79Å; I6-L8 VanDerWaalsContact C-N 3.31Å; I6-L8 PolarHBondContact O-N 3Å
7	F	61.6	Low	63.6	Low	135 Å²	135	132 Å²	132	59%	0.592	72%	0.717	S	S	*	*	H	α-helix	trans	-68.7	-27.8	177.3	-71.4	-72	0	0	0	113.2	W3 W5	W3-F7 AromaticContact CD1-CE2 3.62Å; W3-F7 HydrophobicContact CD2-CE2 4.02Å; W3-F7 AromaticContact CE2-CE2 3.91Å; W3-F7 AromaticContact CG-CE2 3.88Å; W3-F7 HydrophobicContact CG-CE2 3.88Å; W3-F7 HydrophobicContact CZ2-CZ 4.35Å; W3-F7 AromaticContact NE1-CE2 3.63Å; W3-F7 AromaticContact NE1-CZ 3.82Å; W3-F7 WeakPolarHBondContact O-CD2 3.31Å; W5-F7 VanDerWaalsContact C-N 3.32Å; W5-F7 PolarHBondContact O-N 3.44Å
8	L	60.3	Low	63.5	Low	119 Å²	119	134.7 Å²	134.7	62%	0.623	72%	0.724	S	S	*	*	H	α-helix	trans	-77.2	-27.9	-179.4	-82.4	164	0	0	0	113.6	W5 I6 I10	W5-L8 PolarHBondContact O-N 3.33Å; I6-L8 VanDerWaalsContact C-N 3.31Å; I6-L8 PolarHBondContact O-N 3Å; L8-I10 VanDerWaalsContact C-N 3.33Å; L8-I10 PolarHBondContact O-N 2.97Å
9	F	58.8	Low	64	Low	170 Å²	170	132.5 Å²	132.5	75%	0.746	72%	0.719	S	S	*	*	H	α-helix	trans	-75.2	-15.8	-179	-88.1	-78.8	0	0	0	114.7	W5	W5-F9 WeakPolarHBondContact O-CD2 3.2Å
10	I	62.4	Low	65.3	Low	135 Å²	135	132.8 Å²	132.8	69%	0.692	72%	0.716	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.4	-11.6	-175	-58.6	-175.3	0	0	0	112.9	L8	L8-I10 VanDerWaalsContact C-N 3.33Å; L8-I10 PolarHBondContact O-N 2.97Å
11	L	59.5	Low	66.7	Low	164 Å²	164	129.3 Å²	129.3	86%	0.859	70%	0.699	S	S	*	*	S	Bend	trans	-104.9	40.4	-173.7	-140.6	85.7	0	0	0	115
12	S	59.9	Low	68.2	Low	98 Å²	98	123.5 Å²	123.5	69%	0.685	67%	0.669	S	S	*	*			trans	-126.9	35.2	171.1	53.4	0	0	0	0	112.9	T14	S12-T14 PolarHBondContact O-N 3.35Å
13	G	61.2	Low	69.9	Low	72 Å²	72	118.5 Å²	118.5	74%	0.742	65%	0.647	S	S	*	*			trans	-81.6	88.2	161.7	0	0	0	0	0	110	A15	G13-A15 PolarHBondContact O-N 2.95Å
14	T	64.4	Low	71.4	Confident	137 Å²	137	116.3 Å²	116.3	84%	0.84	65%	0.645	S	S	*	*			trans	-67.7	90.2	163.1	47.6	0	0	0	0	107.3	S12 G16	S12-T14 PolarHBondContact O-N 3.35Å; T14-G16 PolarHBondContact O-N 3.12Å
15	A	64.1	Low	72.7	Confident	89 Å²	89	113.5 Å²	113.5	74%	0.736	63%	0.629	S	S	*	*			trans	-61.8	94.6	169	0	0	0	0	0	107.2	G13 V17	G13-A15 PolarHBondContact O-N 2.95Å; A15-V17 PolarHBondContact O-N 3.49Å
16	G	64	Low	74.1	Confident	66 Å²	66	107.5 Å²	107.5	68%	0.68	61%	0.612	S	S	*	*			trans	-59.5	109.5	170.4	0	0	0	0	0	107.6	T14 Q18	T14-G16 PolarHBondContact O-N 3.12Å; G16-Q18 VanDerWaalsContact C-N 3.28Å; G16-Q18 PolarHBondContact O-N 3.4Å
17	V	68.9	Low	75.5	Confident	139 Å²	139	105.5 Å²	105.5	84%	0.842	62%	0.617	S	S	*	*			trans	-73.2	90.8	174.2	179.6	0	0	0	0	107	A15 S19	A15-V17 PolarHBondContact O-N 3.49Å; V17-S19 PolarHBondContact O-N 3.49Å
18	Q	61.6	Low	77.1	Confident	181 Å²	181	104.3 Å²	104.3	85%	0.846	63%	0.632	S	S	*	*			trans	-69.9	114	163.7	-69.9	-167.8	-19.1	0	0	107.3	G16 Q20	G16-Q18 VanDerWaalsContact C-N 3.28Å; G16-Q18 PolarHBondContact O-N 3.4Å; Q18-Q20 VanDerWaalsContact C-N 3.32Å; Q18-Q20 PolarHBondContact O-N 3.33Å
19	S	73.2	Confident	78.8	Confident	92 Å²	92	104.5 Å²	104.5	64%	0.643	63%	0.63	S	S	*	*			trans	-70	92.1	173	-174.8	0	0	0	0	108.6	V17 G45	V17-S19 PolarHBondContact O-N 3.49Å; S19-G45 WeakPolarHBondContact OG-CA 3.47Å
20	Q	90.1	Very high	80.5	Confident	139 Å²	139	104.7 Å²	104.7	65%	0.65	64%	0.638	S	S	*	*			trans	-74.8	134.6	175.9	-168.2	-179.7	15.2	0	0	109.7	Q18 Q22	Q18-Q20 VanDerWaalsContact C-N 3.32Å; Q18-Q20 PolarHBondContact O-N 3.33Å; Q20-Q22 PolarHBondContact O-N 3.33Å
21	V	93.2	Very high	82	Confident	59 Å²	59	100.2 Å²	100.2	36%	0.358	62%	0.621	S	S	.	*			trans	-65.8	130.8	170.6	170.7	0	0	0	0	109.1	S44 Y46	V21-S44 WeakPolarHBondContact CA-O 3.16Å; V21-Y46 HydrophobicContact CG1-CD1 3.82Å; V21-Y46 HydrophobicContact CG1-CE1 4.03Å; V21-Y46 HydrophobicContact CG2-CD1 4.28Å
22	Q	95.9	Very high	83.7	Confident	88 Å²	88	102 Å²	102	41%	0.411	62%	0.616	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-138.1	143.5	-179.8	-65.7	-67.1	-7.2	0	0	111.3	Q20 A43 S44	Q20-Q22 PolarHBondContact O-N 3.33Å; Q22-A43 WeakPolarHBondContact O-CA 3.06Å; Q22-S44 PolarHBondContact N-O 3.16Å; Q22-S44 PolarHBondContact O-N 2.86Å
23	L	97.8	Very high	85.5	Confident	49 Å²	49	102.5 Å²	102.5	26%	0.257	62%	0.617	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-123.3	109.7	169	-65.4	-178.5	0	0	0	108.4	K42 A43 Y46 R117	L23-K42 CarbonylContact C-O 3.53Å; L23-K42 WeakPolarHBondContact CA-O 3.15Å; L23-A43 HydrophobicContact CD2-CB 3.89Å; L23-Y46 HydrophobicContact CD2-CE1 4.28Å; L23-Y46 WeakPolarHBondContact CD2-OH 3.39Å; L23-R117 HydrophobicContact CD1-CB 4.14Å
24	Q	98	Very high	87.2	Confident	138 Å²	138	101.8 Å²	101.8	65%	0.645	61%	0.609	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-98.8	112.8	178.7	-179.1	60.3	60.2	0	0	109.9	C41 K42	Q24-C41 WeakPolarHBondContact O-CA 3.18Å; Q24-K42 HydrophobicContact CB-CB 4.47Å; Q24-K42 PolarHBondContact N-O 2.93Å; Q24-K42 PolarHBondContact O-N 2.74Å
25	Q	98.4	Very high	88.8	Confident	49 Å²	49	96.4 Å²	96.4	23%	0.229	58%	0.579	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-85.9	154.9	176.3	-72.6	-172.6	-123.3	0	0	112.7	S40 C41 Y113 C115	Q25-S40 CarbonylContact C-O 3.57Å; Q25-S40 VanDerWaalsContact CA-O 3.25Å; Q25-S40 WeakPolarHBondContact CA-O 3.44Å; Q25-C41 HydrophobicContact CG-CB 4.43Å; Q25-Y113 PolarHBondContact NE2-O 3.34Å; Q25-C115 VanDerWaalsContact CD-SG 3.59Å; Q25-C115 HydrophobicContact CG-CB 4.43Å; Q25-C115 WeakPolarHBondContact CG-SG 3.39Å
26	S	97.1	Very high	90.4	Very high	36 Å²	36	95 Å²	95	25%	0.252	56%	0.564	S	S	.	*			trans	-58.9	154.1	163.1	50.9	0	0	0	0	110.6	L39 S40	S26-L39 WeakPolarHBondContact OG-CA 3.42Å; S26-S40 WeakPolarHBondContact CB-OG 3.44Å; S26-S40 PolarHBondContact N-O 3.14Å; S26-S40 PolarHBondContact OG-N 2.88Å
27	G	95.6	Very high	92	Very high	61 Å²	61	92.5 Å²	92.5	63%	0.629	54%	0.535	S	S	*	.			trans	-68.1	-173	177.2	0	0	0	0	0	113.7	E29	G27-E29 PolarHBondContact O-N 2.96Å
28	A	95.3	Very high	93.4	Very high	110 Å²	110	91.4 Å²	91.4	91%	0.909	52%	0.519	S	S	*	.			trans	-65.8	132.1	175.2	0	0	0	0	0	110.8
29	E	94.6	Very high	95.1	Very high	122 Å²	122	83.5 Å²	83.5	57%	0.57	48%	0.483	S	S	*	.			trans	-109.8	132	175.5	-161	98.4	159.8	0	0	109.7	G27 V37	G27-E29 PolarHBondContact O-N 2.96Å; E29-V37 HydrophobicContact CB-CG2 3.64Å; E29-V37 HydrophobicContact CG-CB 4.26Å; E29-V37 HydrophobicContact CG-CG2 3.55Å
30	L	94.6	Very high	96.3	Very high	175 Å²	175	80.8 Å²	80.8	92%	0.916	46%	0.463	S	S	*	.			trans	-108.2	120.4	170.5	-176.8	64.1	0	0	0	109.2
31	A	95.1	Very high	96.7	Very high	41 Å²	41	74.2 Å²	74.2	34%	0.339	43%	0.433	S	S	.	.			trans	-132.2	148.9	-179.2	0	0	0	0	0	111.1	A35 L105	A31-A35 HydrophobicContact CB-CB 4.37Å; A31-L105 HydrophobicContact CB-CD1 3.56Å
32	R	95.7	Very high	97	Very high	201 Å²	201	77.1 Å²	77.1	76%	0.758	44%	0.441	S	S	*	.			trans	-72.3	153.2	174.6	64.8	-178.3	180	-177.6	-0.2	111.1	A35	R32-A35 HydrophobicContact CG-CB 3.84Å; R32-A35 WeakPolarHBondContact O-CB 3.45Å; R32-A35 PolarHBondContact O-N 2.97Å; R32-A35 VanDerWaalsContact O-N 3.13Å
33	P	96.3	Very high	97.1	Very high	109 Å²	109	73.1 Å²	73.1	71%	0.708	42%	0.423	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.6	142.3	170	-26.1	34.9	0	0	0	112.1	A35 L105	P33-A35 PolarHBondContact O-N 2.7Å; P33-L105 CarbonylContact C-O 3.53Å; P33-L105 WeakPolarHBondContact CA-O 3.33Å
34	G	97.3	Very high	97	Very high	56 Å²	56	73.8 Å²	73.8	58%	0.577	43%	0.431	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.6	-12.7	-176.8	0	0	0	0	0	115.3	L105	G34-L105 PolarHBondContact N-O 2.97Å
35	A	97.8	Very high	96.9	Very high	25 Å²	25	68.6 Å²	68.6	21%	0.207	42%	0.416	C	S	.	.			trans	-74.2	178	174.5	0	0	0	0	0	112.1	A31 R32 P33 S104 L105	A31-A35 HydrophobicContact CB-CB 4.37Å; R32-A35 HydrophobicContact CG-CB 3.84Å; R32-A35 WeakPolarHBondContact O-CB 3.45Å; R32-A35 PolarHBondContact O-N 2.97Å; R32-A35 VanDerWaalsContact O-N 3.13Å; P33-A35 PolarHBondContact O-N 2.7Å; A35-S104 PolarHBondContact O-N 2.91Å; A35-S104 VanDerWaalsContact O-N 3.14Å; A35-L105 VanDerWaalsContact O-CG 3.31Å; A35-L105 WeakPolarHBondContact O-CG 3.36Å; A35-L105 PolarHBondContact O-N 3.28Å
36	S	97.5	Very high	96.7	Very high	59 Å²	59	68.2 Å²	68.2	41%	0.413	41%	0.412	S	S	.	.			trans	-116.3	151.4	170.1	-56	0	0	0	0	110.3	L102	S36-L102 CarbonylContact C-O 3.57Å; S36-L102 WeakPolarHBondContact CA-O 3.35Å; S36-L102 WeakPolarHBondContact CB-O 3.49Å
37	V	97.8	Very high	96.6	Very high	14 Å²	14	70.7 Å²	70.7	9%	0.085	43%	0.426	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	141.4	173.6	48.6	0	0	0	0	108.8	E29 L39 E101 L102 L105	E29-V37 HydrophobicContact CB-CG2 3.64Å; E29-V37 HydrophobicContact CG-CB 4.26Å; E29-V37 HydrophobicContact CG-CG2 3.55Å; V37-L39 HydrophobicContact CG2-CD2 3.72Å; V37-L39 HydrophobicContact CG2-CG 4.24Å; V37-E101 CarbonylContact O-C 3.55Å; V37-E101 VanDerWaalsContact O-CA 3.28Å; V37-E101 WeakPolarHBondContact O-CA 3.35Å; V37-L102 HydrophobicContact CG1-CB 3.89Å; V37-L102 HydrophobicContact CG1-CD1 4.45Å; V37-L102 PolarHBondContact N-O 2.69Å; V37-L102 PolarHBondContact O-N 3.04Å; V37-L105 HydrophobicContact CB-CD1 4.16Å; V37-L105 HydrophobicContact CG1-CD1 3.65Å; V37-L105 HydrophobicContact CG1-CD2 3.84Å; V37-L105 HydrophobicContact CG1-CG 4.22Å
38	K	97.9	Very high	96.7	Very high	115 Å²	115	68.1 Å²	68.1	50%	0.5	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	112.1	175	-173.2	178.6	-178.2	179.9	0	110.2	Y99	K38-Y99 HydrophobicContact CD-CD1 4.39Å; K38-Y99 VanDerWaalsContact CE-CD1 3.44Å; K38-Y99 HydrophobicContact CG-CD1 4.37Å
39	L	98.4	Very high	96.9	Very high	16 Å²	16	65 Å²	65	8%	0.084	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	146.7	174.2	-55.1	-176.7	0	0	0	110.2	S26 V37 W55 Y99 M100 Y113	S26-L39 WeakPolarHBondContact OG-CA 3.42Å; V37-L39 HydrophobicContact CG2-CD2 3.72Å; V37-L39 HydrophobicContact CG2-CG 4.24Å; L39-W55 HydrophobicContact CB-CH2 4.04Å; L39-W55 HydrophobicContact CB-CZ3 4Å; L39-W55 HydrophobicContact CD1-CZ3 4.45Å; L39-Y99 WeakPolarHBondContact O-CA 3.48Å; L39-M100 HydrophobicContact CD1-CE 3.68Å; L39-M100 HydrophobicContact CG-CE 4.47Å; L39-M100 PolarHBondContact N-O 2.83Å; L39-M100 PolarHBondContact O-N 2.82Å; L39-Y113 HydrophobicContact CD1-CD2 4.24Å; L39-Y113 HydrophobicContact CD1-CG 3.94Å
40	S	98.5	Very high	97	Very high	34 Å²	34	62.8 Å²	62.8	24%	0.238	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	148.8	175.6	67	0	0	0	0	111.5	Q25 S26 A98	Q25-S40 CarbonylContact C-O 3.57Å; Q25-S40 VanDerWaalsContact CA-O 3.25Å; Q25-S40 WeakPolarHBondContact CA-O 3.44Å; S26-S40 WeakPolarHBondContact CB-OG 3.44Å; S26-S40 PolarHBondContact N-O 3.14Å; S26-S40 PolarHBondContact OG-N 2.88Å; S40-A98 CarbonylContact C-O 3.55Å; S40-A98 WeakPolarHBondContact CA-O 3.15Å
41	C	98.5	Very high	97	Very high	1 Å²	1	59.9 Å²	59.9	1%	0.007	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	101.9	174.9	178.5	0	0	0	0	109.1	Q24 Q25 W55 T97 A98 C115	Q24-C41 WeakPolarHBondContact O-CA 3.18Å; Q25-C41 HydrophobicContact CG-CB 4.43Å; C41-W55 HydrophobicContact CB-CH2 3.71Å; C41-W55 HydrophobicContact CB-CZ2 3.79Å; C41-T97 WeakPolarHBondContact O-CA 3.39Å; C41-A98 HydrophobicContact CB-CB 4.49Å; C41-A98 PolarHBondContact N-O 2.88Å; C41-A98 PolarHBondContact O-N 3.44Å; C41-C115 HydrophobicContact CB-CB 3.46Å; C41-C115 VanDerWaalsContact CB-CB 3.46Å; C41-C115 WeakPolarHBondContact CB-SG 3.43Å; C41-C115 WeakPolarHBondContact SG-CB 3.28Å; C41-C115 CovalentContact SG-SG 2.02Å; C41-C115 PolarHBondContact SG-SG 3.29Å
42	K	98.3	Very high	97.2	Very high	120 Å²	120	58.2 Å²	58.2	52%	0.522	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	126.5	-179.3	-176.4	174.9	-176.7	179.2	0	110.3	L23 Q24 T97	L23-K42 CarbonylContact C-O 3.53Å; L23-K42 WeakPolarHBondContact CA-O 3.15Å; Q24-K42 HydrophobicContact CB-CB 4.47Å; Q24-K42 PolarHBondContact N-O 2.93Å; Q24-K42 PolarHBondContact O-N 2.74Å; K42-T97 HydrophobicContact CB-CG2 4.43Å
43	A	98.1	Very high	97.3	Very high	5 Å²	5	48.6 Å²	48.6	4%	0.041	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	140.6	179.9	0	0	0	0	0	112.3	Q22 L23 Y46 F48 S96	Q22-A43 WeakPolarHBondContact O-CA 3.06Å; L23-A43 HydrophobicContact CD2-CB 3.89Å; A43-Y46 HydrophobicContact CB-CE1 3.63Å; A43-Y46 WeakPolarHBondContact CB-OH 2.94Å; A43-F48 HydrophobicContact CB-CD2 3.45Å; A43-F48 VanDerWaalsContact CB-CD2 3.45Å; A43-F48 HydrophobicContact CB-CE2 3.99Å; A43-F48 HydrophobicContact CB-CG 4.34Å; A43-S96 PolarHBondContact N-O 2.82Å; A43-S96 WeakPolarHBondContact O-CB 3.39Å
44	S	96.4	Very high	97.4	Very high	62 Å²	62	44.5 Å²	44.5	43%	0.434	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.7	163.1	170.1	55.2	0	0	0	0	111.7	V21 Q22 Y46	V21-S44 WeakPolarHBondContact CA-O 3.16Å; Q22-S44 PolarHBondContact N-O 3.16Å; Q22-S44 PolarHBondContact O-N 2.86Å; S44-Y46 VanDerWaalsContact C-N 3.34Å; S44-Y46 WeakPolarHBondContact O-CD1 3.44Å
45	G	95	Very high	97.5	Very high	30 Å²	30	41.8 Å²	41.8	31%	0.309	24%	0.24	S	C	.	.	S	Bend	trans	83.1	6.8	-179.3	0	0	0	0	0	114.8	S19	S19-G45 WeakPolarHBondContact OG-CA 3.47Å
46	Y	94.6	Very high	97.5	Very high	41 Å²	41	41.8 Å²	41.8	16%	0.161	24%	0.237	C	C	.	.	S	Bend	trans	-159.3	167.7	174.5	68.9	-80.1	0	0	0	111.6	V21 L23 A43 S44 F48 Y51 I53 R117	V21-Y46 HydrophobicContact CG1-CD1 3.82Å; V21-Y46 HydrophobicContact CG1-CE1 4.03Å; V21-Y46 HydrophobicContact CG2-CD1 4.28Å; L23-Y46 HydrophobicContact CD2-CE1 4.28Å; L23-Y46 WeakPolarHBondContact CD2-OH 3.39Å; A43-Y46 HydrophobicContact CB-CE1 3.63Å; A43-Y46 WeakPolarHBondContact CB-OH 2.94Å; S44-Y46 VanDerWaalsContact C-N 3.34Å; S44-Y46 WeakPolarHBondContact O-CD1 3.44Å; Y46-F48 PolarHBondContact O-N 2.89Å; Y46-F48 VanDerWaalsContact O-N 3.13Å; Y46-Y51 AromaticContact CD2-CD2 3.68Å; Y46-Y51 HydrophobicContact CD2-CD2 3.68Å; Y46-Y51 HydrophobicContact CD2-CE2 4.13Å; Y46-Y51 AromaticContact CE2-CD2 3.91Å; Y46-Y51 HydrophobicContact CE2-CD2 3.91Å; Y46-I53 WeakPolarHBondContact OH-CD1 3.45Å; Y46-R117 VanDerWaalsContact CB-NH1 3.32Å; Y46-R117 VanDerWaalsContact CD2-NH1 3.33Å; Y46-R117 HydrophobicContact CE2-CG 4.14Å; Y46-R117 WeakPolarHBondContact OH-CD 3.43Å
47	T	96.3	Very high	97.5	Very high	88 Å²	88	39.1 Å²	39.1	54%	0.54	22%	0.218	S	C	.	.			trans	-70.1	103.8	172.3	-56.2	0	0	0	0	110.2	T49 S50	T47-T49 WeakPolarHBondContact CG2-OG1 3.42Å; T47-T49 PolarHBondContact O-N 2.77Å; T47-T49 VanDerWaalsContact O-N 3.09Å; T47-S50 WeakPolarHBondContact CB-OG 3.4Å; T47-S50 WeakPolarHBondContact CG2-OG 3.36Å; T47-S50 WeakPolarHBondContact O-CB 3.43Å; T47-S50 PolarHBondContact O-N 3.07Å
48	F	97.4	Very high	97.4	Very high	6 Å²	6	42.1 Å²	42.1	3%	0.026	23%	0.231	C	C	.	.	G	3₁₀ helix	trans	-51.6	-36.3	-175.5	177.6	-121.8	0	0	0	113.9	A43 Y46 S50 I53 P72 A91 A98	A43-F48 HydrophobicContact CB-CD2 3.45Å; A43-F48 VanDerWaalsContact CB-CD2 3.45Å; A43-F48 HydrophobicContact CB-CE2 3.99Å; A43-F48 HydrophobicContact CB-CG 4.34Å; Y46-F48 PolarHBondContact O-N 2.89Å; Y46-F48 VanDerWaalsContact O-N 3.13Å; F48-S50 VanDerWaalsContact C-N 3.27Å; F48-S50 PolarHBondContact O-N 2.81Å; F48-I53 HydrophobicContact CD2-CD1 4.45Å; F48-I53 HydrophobicContact CE2-CD1 4Å; F48-I53 HydrophobicContact CE2-CG1 3.79Å; F48-I53 HydrophobicContact CZ-CG1 4.42Å; F48-P72 HydrophobicContact CD1-CB 3.85Å; F48-P72 HydrophobicContact CD1-CG 4.18Å; F48-P72 HydrophobicContact CD2-CG 4.38Å; F48-P72 HydrophobicContact CE1-CB 3.56Å; F48-P72 HydrophobicContact CE1-CG 3.77Å; F48-P72 HydrophobicContact CE2-CG 3.99Å; F48-P72 HydrophobicContact CG-CG 4.49Å; F48-P72 HydrophobicContact CZ-CB 4Å; F48-P72 HydrophobicContact CZ-CG 3.66Å; F48-A91 HydrophobicContact CE1-CB 4.13Å; F48-A91 HydrophobicContact CZ-CB 4.12Å; F48-A98 HydrophobicContact CE2-CB 4.42Å; F48-A98 HydrophobicContact CZ-CB 4.12Å
49	T	98	Very high	97.2	Very high	46 Å²	46	38.2 Å²	38.2	28%	0.282	21%	0.213	S	C	.	.	G	3₁₀ helix	trans	-74.6	-10.7	179.6	54.4	0	0	0	0	114.5	T47 Y51 P72 R73 K93	T47-T49 WeakPolarHBondContact CG2-OG1 3.42Å; T47-T49 PolarHBondContact O-N 2.77Å; T47-T49 VanDerWaalsContact O-N 3.09Å; T49-Y51 VanDerWaalsContact C-N 3.33Å; T49-Y51 PolarHBondContact O-N 2.92Å; T49-P72 HydrophobicContact CG2-CB 4.42Å; T49-R73 VanDerWaalsContact O-CB 3.31Å; T49-R73 WeakPolarHBondContact O-CB 2.99Å; T49-K93 HydrophobicContact CG2-CG 4.18Å
50	S	96.7	Very high	96.6	Very high	75 Å²	75	44 Å²	44	52%	0.524	25%	0.25	S	C	.	.	G	3₁₀ helix	trans	-80.2	-11.3	-176.2	-63.1	0	0	0	0	114.3	T47 F48	T47-S50 WeakPolarHBondContact CB-OG 3.4Å; T47-S50 WeakPolarHBondContact CG2-OG 3.36Å; T47-S50 WeakPolarHBondContact O-CB 3.43Å; T47-S50 PolarHBondContact O-N 3.07Å; F48-S50 VanDerWaalsContact C-N 3.27Å; F48-S50 PolarHBondContact O-N 2.81Å
51	Y	96	Very high	96.2	Very high	113 Å²	113	46.8 Å²	46.8	44%	0.443	28%	0.283	S	S	.	.	S	Bend	trans	-136.6	152.9	-174.2	-63.5	-87	0	0	0	111.9	Y46 T49 P72 R117	Y46-Y51 AromaticContact CD2-CD2 3.68Å; Y46-Y51 HydrophobicContact CD2-CD2 3.68Å; Y46-Y51 HydrophobicContact CD2-CE2 4.13Å; Y46-Y51 AromaticContact CE2-CD2 3.91Å; Y46-Y51 HydrophobicContact CE2-CD2 3.91Å; T49-Y51 VanDerWaalsContact C-N 3.33Å; T49-Y51 PolarHBondContact O-N 2.92Å; Y51-P72 WeakPolarHBondContact O-CD 3.44Å; Y51-R117 HydrophobicContact CD1-CG 4.26Å; Y51-R117 HydrophobicContact CD2-CG 4.33Å; Y51-R117 HydrophobicContact CG-CG 3.75Å
52	G	97.8	Very high	95.7	Very high	6 Å²	6	52 Å²	52	6%	0.062	31%	0.308	C	S	.	.			trans	-69.7	154.4	166.3	0	0	0	0	0	111.1	I70	G52-I70 CarbonylContact C-O 3.58Å; G52-I70 WeakPolarHBondContact CA-O 3.25Å
53	I	98.6	Very high	95.4	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	109.4	169.2	-53.7	-64.4	0	0	0	107.7	Y46 F48 E69 I70 P72 A98 C115 A116 R117	Y46-I53 WeakPolarHBondContact OH-CD1 3.45Å; F48-I53 HydrophobicContact CD2-CD1 4.45Å; F48-I53 HydrophobicContact CE2-CD1 4Å; F48-I53 HydrophobicContact CE2-CG1 3.79Å; F48-I53 HydrophobicContact CZ-CG1 4.42Å; I53-E69 WeakPolarHBondContact O-CA 3.29Å; I53-I70 HydrophobicContact CB-CG2 4.13Å; I53-I70 PolarHBondContact N-O 2.78Å; I53-I70 PolarHBondContact O-N 3Å; I53-P72 HydrophobicContact CG1-CG 4.24Å; I53-A98 HydrophobicContact CB-CB 4Å; I53-A98 HydrophobicContact CG1-CB 4.05Å; I53-A98 HydrophobicContact CG2-CB 3.78Å; I53-C115 HydrophobicContact CG2-CB 4.16Å; I53-A116 CarbonylContact C-O 3.54Å; I53-A116 WeakPolarHBondContact CA-O 3.49Å; I53-R117 HydrophobicContact CD1-CB 4.22Å; I53-R117 HydrophobicContact CD1-CG 4.38Å
54	S	98.6	Very high	95.3	Very high	22 Å²	22	54.1 Å²	54.1	15%	0.154	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	142	177.2	-81.4	0	0	0	0	111	W66 G68 E69 C115 A116	S54-W66 PolarHBondContact OG-NE1 2.86Å; S54-G68 CarbonylContact C-O 3.5Å; S54-G68 WeakPolarHBondContact CA-O 2.98Å; S54-E69 PolarHBondContact OG-OE1 2.69Å; S54-C115 CarbonylContact O-C 3.4Å; S54-C115 VanDerWaalsContact O-CA 3.31Å; S54-C115 WeakPolarHBondContact O-CA 3.35Å; S54-A116 PolarHBondContact N-O 2.9Å; S54-A116 PolarHBondContact O-N 3.49Å
55	W	98.7	Very high	95.4	Very high	0 Å²	0	53 Å²	53	0%	0	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	135.4	174.4	-70	89.6	0	0	0	110.3	L39 C41 I67 G68 L89 A98 M100 F114 C115	L39-W55 HydrophobicContact CB-CH2 4.04Å; L39-W55 HydrophobicContact CB-CZ3 4Å; L39-W55 HydrophobicContact CD1-CZ3 4.45Å; C41-W55 HydrophobicContact CB-CH2 3.71Å; C41-W55 HydrophobicContact CB-CZ2 3.79Å; W55-I67 HydrophobicContact CB-CB 4.17Å; W55-I67 HydrophobicContact CB-CD1 4.27Å; W55-I67 WeakPolarHBondContact O-CB 3.2Å; W55-I67 PolarHBondContact O-N 3.22Å; W55-G68 PolarHBondContact N-O 3.05Å; W55-L89 HydrophobicContact CG-CD2 4.11Å; W55-A98 HydrophobicContact CZ2-CB 4.41Å; W55-M100 HydrophobicContact CB-SD 3.84Å; W55-M100 HydrophobicContact CD2-CB 3.65Å; W55-M100 HydrophobicContact CD2-CE 4.32Å; W55-M100 HydrophobicContact CD2-CG 4.43Å; W55-M100 HydrophobicContact CD2-SD 4.07Å; W55-M100 HydrophobicContact CE3-CB 3.96Å; W55-M100 HydrophobicContact CE3-CE 3.78Å; W55-M100 HydrophobicContact CE3-SD 4.13Å; W55-M100 HydrophobicContact CG-CB 4.1Å; W55-M100 HydrophobicContact CG-SD 3.97Å; W55-M100 HydrophobicContact CH2-CB 4.19Å; W55-M100 HydrophobicContact CZ2-CB 3.91Å; W55-M100 HydrophobicContact CZ3-CB 4.22Å; W55-M100 HydrophobicContact CZ3-CE 4.28Å; W55-F114 WeakPolarHBondContact CA-O 3.5Å; W55-C115 HydrophobicContact CD2-CB 4.23Å; W55-C115 HydrophobicContact CE3-CB 4.04Å; W55-C115 HydrophobicContact CH2-CB 4.08Å; W55-C115 HydrophobicContact CZ2-CB 4.23Å; W55-C115 HydrophobicContact CZ3-CB 3.98Å
56	V	98.3	Very high	95.5	Very high	25 Å²	25	56.3 Å²	56.3	15%	0.152	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	135.6	-174.7	-176	0	0	0	0	109.6	L64 E65 Y113 F114	V56-L64 HydrophobicContact CG1-CB 3.83Å; V56-L64 HydrophobicContact CG1-CD2 3.98Å; V56-L64 HydrophobicContact CG1-CG 4.35Å; V56-E65 CarbonylContact C-O 3.49Å; V56-E65 WeakPolarHBondContact CA-O 3.43Å; V56-Y113 CarbonylContact O-C 3.6Å; V56-Y113 WeakPolarHBondContact O-CA 3.31Å; V56-F114 PolarHBondContact N-O 3.25Å; V56-F114 PolarHBondContact O-N 3.09Å
57	K	97.5	Very high	95.7	Very high	2 Å²	2	54.4 Å²	54.4	1%	0.009	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	134.3	171.9	-176	177	-175.3	172.8	0	109.6	E65 I67 F83 E108 D109 A111 Y113	K57-E65 HydrophobicContact CB-CB 4.32Å; K57-E65 PolarHBondContact N-O 3.47Å; K57-E65 PolarHBondContact O-N 3.43Å; K57-I67 HydrophobicContact CB-CD1 4.03Å; K57-I67 HydrophobicContact CB-CG1 4.23Å; K57-F83 HydrophobicContact CB-CZ 4.42Å; K57-F83 HydrophobicContact CD-CE1 4.01Å; K57-F83 HydrophobicContact CD-CZ 3.91Å; K57-E108 WeakPolarHBondContact CE-O 3.46Å; K57-E108 PolarHBondContact NZ-O 3.42Å; K57-D109 IonicContact NZ-OD1 2.69Å; K57-D109 PolarHBondContact NZ-OD1 2.98Å; K57-A111 HydrophobicContact CD-CB 4.26Å; K57-A111 HydrophobicContact CG-CB 3.67Å; K57-Y113 HydrophobicContact CB-CD1 4.08Å; K57-Y113 HydrophobicContact CB-CE1 3.83Å; K57-Y113 HydrophobicContact CD-CE1 3.94Å; K57-Y113 WeakPolarHBondContact CE-OH 3.39Å; K57-Y113 HydrophobicContact CG-CD1 4.26Å; K57-Y113 HydrophobicContact CG-CE1 3.71Å
58	Q	96.8	Very high	95.8	Very high	77 Å²	77	50.2 Å²	50.2	36%	0.36	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	116.4	171.4	-171.9	178.4	46.2	0	0	109.8	L64 A111 V112 F114	Q58-L64 HydrophobicContact CB-CD2 3.68Å; Q58-L64 HydrophobicContact CG-CD2 3.74Å; Q58-A111 WeakPolarHBondContact O-CB 3.38Å; Q58-V112 HydrophobicContact CB-CB 4.49Å; Q58-V112 PolarHBondContact N-O 3.12Å; Q58-V112 PolarHBondContact O-N 3.36Å; Q58-F114 HydrophobicContact CB-CD2 4.27Å; Q58-F114 HydrophobicContact CB-CE2 3.71Å; Q58-F114 HydrophobicContact CG-CE2 4.46Å; Q58-F114 VanDerWaalsContact OE1-CE2 3.24Å
59	R	92.3	Very high	95.8	Very high	33 Å²	33	51.4 Å²	51.4	13%	0.125	30%	0.3	C	S	.	.			trans	-93.2	141.7	172.6	-73.7	169.8	169.6	174.5	-3.8	109.5	G61 Q62 E65 E108 A111	R59-G61 PolarHBondContact O-N 3.43Å; R59-Q62 HydrophobicContact CB-CB 3.91Å; R59-Q62 HydrophobicContact CB-CG 4.04Å; R59-Q62 PolarHBondContact O-N 2.83Å; R59-E65 IonicContact NH1-OE1 2.7Å; R59-E108 IonicContact CZ-OE2 3.14Å; R59-E108 PolarHBondContact NE-O 2.89Å; R59-E108 VanDerWaalsContact NE-O 3.16Å; R59-E108 PolarHBondContact NH2-O 2.83Å; R59-E108 IonicContact NH2-OE2 3.35Å; R59-E108 PolarHBondContact NH2-OE2 2.68Å; R59-A111 HydrophobicContact CG-CB 3.98Å
60	T	87.1	Confident	95.9	Very high	139 Å²	139	49.5 Å²	49.5	85%	0.853	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.2	122.4	176.7	49.9	0	0	0	0	110.4	Q62	T60-Q62 VanDerWaalsContact C-N 3.26Å; T60-Q62 PolarHBondContact O-N 3.48Å
61	G	90	Very high	96	Very high	92 Å²	92	50.2 Å²	50.2	95%	0.948	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	76.6	3.5	-177.8	0	0	0	0	0	115.4	R59	R59-G61 PolarHBondContact O-N 3.43Å
62	Q	88.4	Confident	96.1	Very high	110 Å²	110	45 Å²	45	51%	0.514	26%	0.259	S	S	.	.	S	Bend	trans	-117.5	174.2	172.1	-51.7	179.3	23.7	0	0	110.4	R59 T60	R59-Q62 HydrophobicContact CB-CB 3.91Å; R59-Q62 HydrophobicContact CB-CG 4.04Å; R59-Q62 PolarHBondContact O-N 2.83Å; T60-Q62 VanDerWaalsContact C-N 3.26Å; T60-Q62 PolarHBondContact O-N 3.48Å
63	G	91.7	Very high	96.1	Very high	54 Å²	54	53.5 Å²	53.5	56%	0.557	29%	0.29	S	S	*	.			trans	-74	-179.5	177.7	0	0	0	0	0	114.2
64	L	95.9	Very high	96.1	Very high	116 Å²	116	56.4 Å²	56.4	61%	0.607	31%	0.31	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-78.7	131.9	168.7	-63.4	176.8	0	0	0	109.7	V56 Q58	V56-L64 HydrophobicContact CG1-CB 3.83Å; V56-L64 HydrophobicContact CG1-CD2 3.98Å; V56-L64 HydrophobicContact CG1-CG 4.35Å; Q58-L64 HydrophobicContact CB-CD2 3.68Å; Q58-L64 HydrophobicContact CG-CD2 3.74Å
65	E	96.9	Very high	96	Very high	38 Å²	38	57.5 Å²	57.5	18%	0.178	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	116.4	172.8	-65.9	-173.8	-133.4	0	0	109.5	V56 K57 R59 I67 K82 F83	V56-E65 CarbonylContact C-O 3.49Å; V56-E65 WeakPolarHBondContact CA-O 3.43Å; K57-E65 HydrophobicContact CB-CB 4.32Å; K57-E65 PolarHBondContact N-O 3.47Å; K57-E65 PolarHBondContact O-N 3.43Å; R59-E65 IonicContact NH1-OE1 2.7Å; E65-I67 PolarHBondContact O-N 3.2Å; E65-K82 IonicContact OE1-NZ 2.83Å; E65-K82 PolarHBondContact OE1-NZ 2.89Å; E65-K82 IonicContact OE2-NZ 3.88Å; E65-K82 PolarHBondContact OE2-NZ 3.36Å; E65-F83 HydrophobicContact CB-CE2 4.35Å; E65-F83 HydrophobicContact CB-CZ 4.42Å
66	W	97.9	Very high	96	Very high	100 Å²	100	61.5 Å²	61.5	38%	0.379	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70	129.9	173.2	-179.4	79	0	0	0	110.3	S54 G68 E69 Y79 N80	S54-W66 PolarHBondContact OG-NE1 2.86Å; W66-G68 VanDerWaalsContact CZ2-C 3.42Å; W66-G68 PolarHBondContact NE1-O 3Å; W66-E69 HydrophobicContact CZ2-CB 3.91Å; W66-Y79 VanDerWaalsContact CZ3-C 3.44Å; W66-N80 HydrophobicContact CE3-CB 3.78Å; W66-N80 HydrophobicContact CZ3-CB 4.02Å; W66-N80 WeakPolarHBondContact O-CB 3.3Å; W66-N80 PolarHBondContact O-ND2 2.83Å
67	I	98.5	Very high	96	Very high	0 Å²	0	62.9 Å²	62.9	0%	0	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	-47.9	-178.2	-64.9	166.9	0	0	0	110.2	W55 K57 E65 N80 F83 A87 M100 Y113	W55-I67 HydrophobicContact CB-CB 4.17Å; W55-I67 HydrophobicContact CB-CD1 4.27Å; W55-I67 WeakPolarHBondContact O-CB 3.2Å; W55-I67 PolarHBondContact O-N 3.22Å; K57-I67 HydrophobicContact CB-CD1 4.03Å; K57-I67 HydrophobicContact CB-CG1 4.23Å; E65-I67 PolarHBondContact O-N 3.2Å; I67-N80 PolarHBondContact O-N 3.15Å; I67-F83 HydrophobicContact CB-CD2 4.34Å; I67-F83 HydrophobicContact CB-CG 4.23Å; I67-F83 HydrophobicContact CG1-CD1 4.01Å; I67-F83 HydrophobicContact CG1-CD2 4.18Å; I67-F83 HydrophobicContact CG1-CE1 3.94Å; I67-F83 HydrophobicContact CG1-CE2 4.09Å; I67-F83 HydrophobicContact CG1-CG 4.13Å; I67-F83 HydrophobicContact CG1-CZ 3.97Å; I67-F83 HydrophobicContact CG2-CB 3.83Å; I67-F83 HydrophobicContact CG2-CD1 4.12Å; I67-F83 HydrophobicContact CG2-CD2 4.46Å; I67-F83 HydrophobicContact CG2-CG 3.89Å; I67-A87 HydrophobicContact CG2-CB 3.74Å; I67-M100 HydrophobicContact CD1-CE 4.03Å; I67-M100 HydrophobicContact CD1-SD 3.56Å; I67-M100 VanDerWaalsContact CD1-SD 3.56Å; I67-M100 HydrophobicContact CG2-SD 3.93Å; I67-Y113 HydrophobicContact CD1-CD1 3.64Å; I67-Y113 HydrophobicContact CD1-CE1 3.74Å
68	G	98.6	Very high	96.1	Very high	0 Å²	0	68.7 Å²	68.7	0%	0	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	167.8	175.8	-172	0	0	0	0	0	112.3	S54 W55 W66 Y78	S54-G68 CarbonylContact C-O 3.5Å; S54-G68 WeakPolarHBondContact CA-O 2.98Å; W55-G68 PolarHBondContact N-O 3.05Å; W66-G68 VanDerWaalsContact CZ2-C 3.42Å; W66-G68 PolarHBondContact NE1-O 3Å; G68-Y78 CarbonylContact C-O 3.6Å; G68-Y78 WeakPolarHBondContact CA-O 3.4Å
69	E	98.6	Very high	96.1	Very high	32 Å²	32	67.6 Å²	67.6	15%	0.15	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	142.1	179.7	179.1	169.8	-122.8	0	0	110.4	I53 S54 W66 Y71 T77 Y78	I53-E69 WeakPolarHBondContact O-CA 3.29Å; S54-E69 PolarHBondContact OG-OE1 2.69Å; W66-E69 HydrophobicContact CZ2-CB 3.91Å; E69-Y71 HydrophobicContact CG-CD2 4.33Å; E69-Y71 HydrophobicContact CG-CE2 3.87Å; E69-Y71 WeakPolarHBondContact OE2-CE2 3.47Å; E69-Y71 PolarHBondContact OE2-OH 3.35Å; E69-T77 CarbonylContact O-C 3.54Å; E69-T77 VanDerWaalsContact O-CA 3.28Å; E69-T77 WeakPolarHBondContact O-CA 3.45Å; E69-Y78 PolarHBondContact N-O 2.83Å; E69-Y78 PolarHBondContact O-N 2.02Å
70	I	98.8	Very high	96.4	Very high	5 Å²	5	68.5 Å²	68.5	3%	0.026	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	133.3	169.6	-176.7	164.8	0	0	0	110.7	G52 I53 P72 N76 T77 L89 T90 A91 A98	G52-I70 CarbonylContact C-O 3.58Å; G52-I70 WeakPolarHBondContact CA-O 3.25Å; I53-I70 HydrophobicContact CB-CG2 4.13Å; I53-I70 PolarHBondContact N-O 2.78Å; I53-I70 PolarHBondContact O-N 3Å; I70-P72 WeakPolarHBondContact O-CD 3.41Å; I70-N76 WeakPolarHBondContact CA-O 3.31Å; I70-T77 HydrophobicContact CB-CG2 4.18Å; I70-T77 HydrophobicContact CD1-CG2 4.07Å; I70-T77 HydrophobicContact CG1-CG2 4.01Å; I70-L89 HydrophobicContact CB-CB 4.11Å; I70-L89 HydrophobicContact CG2-CB 4.44Å; I70-T90 VanDerWaalsContact CD1-CA 3.47Å; I70-A91 HydrophobicContact CD1-CB 3.73Å; I70-A91 HydrophobicContact CG1-CB 4.32Å; I70-A98 HydrophobicContact CG2-CB 4.41Å
71	Y	98.4	Very high	96.9	Very high	91 Å²	91	68.2 Å²	68.2	36%	0.357	37%	0.366	S	S	.	.			trans	-95	103.9	172.4	-72.7	-94.7	0	0	0	109.5	E69 R73 S74 G75 N76 Y78	E69-Y71 HydrophobicContact CG-CD2 4.33Å; E69-Y71 HydrophobicContact CG-CE2 3.87Å; E69-Y71 WeakPolarHBondContact OE2-CE2 3.47Å; E69-Y71 PolarHBondContact OE2-OH 3.35Å; Y71-R73 PolarHBondContact O-N 2.84Å; Y71-R73 VanDerWaalsContact O-N 3.12Å; Y71-S74 PolarHBondContact O-N 2.88Å; Y71-G75 WeakPolarHBondContact O-CA 3.31Å; Y71-G75 PolarHBondContact O-N 2.81Å; Y71-N76 PolarHBondContact N-O 2.82Å; Y71-Y78 AromaticContact CD2-CD2 3.91Å; Y71-Y78 HydrophobicContact CD2-CD2 3.91Å; Y71-Y78 AromaticContact CD2-CE2 3.65Å; Y71-Y78 HydrophobicContact CD2-CE2 3.65Å; Y71-Y78 AromaticContact CE2-CD2 3.58Å; Y71-Y78 HydrophobicContact CE2-CD2 3.58Å; Y71-Y78 AromaticContact CE2-CE2 3.44Å; Y71-Y78 HydrophobicContact CE2-CE2 3.44Å; Y71-Y78 VanDerWaalsContact CE2-CE2 3.44Å
72	P	98.5	Very high	97.2	Very high	3 Å²	3	69 Å²	69	2%	0.019	34%	0.344	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.5	-28	-172.4	-21.7	34.3	0	0	0	113	F48 T49 Y51 I53 I70 A91 K93	F48-P72 HydrophobicContact CD1-CB 3.85Å; F48-P72 HydrophobicContact CD1-CG 4.18Å; F48-P72 HydrophobicContact CD2-CG 4.38Å; F48-P72 HydrophobicContact CE1-CB 3.56Å; F48-P72 HydrophobicContact CE1-CG 3.77Å; F48-P72 HydrophobicContact CE2-CG 3.99Å; F48-P72 HydrophobicContact CG-CG 4.49Å; F48-P72 HydrophobicContact CZ-CB 4Å; F48-P72 HydrophobicContact CZ-CG 3.66Å; T49-P72 HydrophobicContact CG2-CB 4.42Å; Y51-P72 WeakPolarHBondContact O-CD 3.44Å; I53-P72 HydrophobicContact CG1-CG 4.24Å; I70-P72 WeakPolarHBondContact O-CD 3.41Å; P72-A91 HydrophobicContact CB-CB 4.06Å; P72-A91 HydrophobicContact CG-CB 4.29Å; P72-K93 WeakPolarHBondContact O-CE 3.43Å
73	R	98	Very high	97.6	Very high	185 Å²	185	64 Å²	64	70%	0.698	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.3	-56	176.4	-176.5	171	66	98.8	0.3	112.6	T49 Y71 K93	T49-R73 VanDerWaalsContact O-CB 3.31Å; T49-R73 WeakPolarHBondContact O-CB 2.99Å; Y71-R73 PolarHBondContact O-N 2.84Å; Y71-R73 VanDerWaalsContact O-N 3.12Å; R73-K93 PolarHBondContact O-NZ 2.89Å
74	S	97.9	Very high	97.8	Very high	61 Å²	61	67.3 Å²	67.3	43%	0.427	32%	0.319	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.9	-23.6	-175.4	52.9	0	0	0	0	113.5	Y71 N76	Y71-S74 PolarHBondContact O-N 2.88Å; S74-N76 PolarHBondContact OG-N 3.48Å
75	G	97.8	Very high	97.8	Very high	44 Å²	44	65.2 Å²	65.2	45%	0.454	33%	0.326	S	S	.	.			trans	79.4	3.8	-168.9	0	0	0	0	0	113.6	Y71	Y71-G75 WeakPolarHBondContact O-CA 3.31Å; Y71-G75 PolarHBondContact O-N 2.81Å
76	N	98.3	Very high	97.8	Very high	84 Å²	84	65.5 Å²	65.5	45%	0.449	33%	0.326	S	S	.	.			trans	-66.1	139.3	179.1	-69.1	-1.4	0	0	0	110.6	I70 Y71 S74 Y78	I70-N76 WeakPolarHBondContact CA-O 3.31Å; Y71-N76 PolarHBondContact N-O 2.82Å; S74-N76 PolarHBondContact OG-N 3.48Å; N76-Y78 HydrophobicContact CB-CE2 4.23Å
77	T	98.6	Very high	97.8	Very high	54 Å²	54	60.9 Å²	60.9	33%	0.331	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	136.6	178.2	55.9	0	0	0	0	111.1	E69 I70 Y79 L89	E69-T77 CarbonylContact O-C 3.54Å; E69-T77 VanDerWaalsContact O-CA 3.28Å; E69-T77 WeakPolarHBondContact O-CA 3.45Å; I70-T77 HydrophobicContact CB-CG2 4.18Å; I70-T77 HydrophobicContact CD1-CG2 4.07Å; I70-T77 HydrophobicContact CG1-CG2 4.01Å; T77-Y79 HydrophobicContact CG2-CE2 4.49Å; T77-Y79 WeakPolarHBondContact OG1-CE2 3.48Å; T77-L89 HydrophobicContact CG2-CB 4.1Å
78	Y	98.3	Very high	97.8	Very high	124 Å²	124	63.1 Å²	63.1	49%	0.486	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	142.5	172.2	-59.5	-90.8	0	0	0	108.5	G68 E69 Y71 N76	G68-Y78 CarbonylContact C-O 3.6Å; G68-Y78 WeakPolarHBondContact CA-O 3.4Å; E69-Y78 PolarHBondContact N-O 2.83Å; E69-Y78 PolarHBondContact O-N 2.02Å; Y71-Y78 AromaticContact CD2-CD2 3.91Å; Y71-Y78 HydrophobicContact CD2-CD2 3.91Å; Y71-Y78 AromaticContact CD2-CE2 3.65Å; Y71-Y78 HydrophobicContact CD2-CE2 3.65Å; Y71-Y78 AromaticContact CE2-CD2 3.58Å; Y71-Y78 HydrophobicContact CE2-CD2 3.58Å; Y71-Y78 AromaticContact CE2-CE2 3.44Å; Y71-Y78 HydrophobicContact CE2-CE2 3.44Å; Y71-Y78 VanDerWaalsContact CE2-CE2 3.44Å; N76-Y78 HydrophobicContact CB-CE2 4.23Å
79	Y	98.7	Very high	97.8	Very high	55 Å²	55	63.4 Å²	63.4	22%	0.216	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	149.6	-175.8	-67.8	-88.7	0	0	0	110.7	W66 T77 A87 L89	W66-Y79 VanDerWaalsContact CZ3-C 3.44Å; T77-Y79 HydrophobicContact CG2-CE2 4.49Å; T77-Y79 WeakPolarHBondContact OG1-CE2 3.48Å; Y79-A87 HydrophobicContact CE1-CB 4.39Å; Y79-A87 WeakPolarHBondContact CE1-O 3.48Å; Y79-L89 HydrophobicContact CE1-CD1 4.05Å; Y79-L89 HydrophobicContact CE1-CG 3.7Å; Y79-L89 PolarHBondContact OH-N 3.14Å
80	N	97.9	Very high	97.8	Very high	52 Å²	52	64.9 Å²	64.9	28%	0.278	34%	0.336	S	S	.	.			trans	-70.4	131.9	154.8	-179.1	-31.7	0	0	0	108.3	W66 I67 K82 F83 K84	W66-N80 HydrophobicContact CE3-CB 3.78Å; W66-N80 HydrophobicContact CZ3-CB 4.02Å; W66-N80 WeakPolarHBondContact O-CB 3.3Å; W66-N80 PolarHBondContact O-ND2 2.83Å; I67-N80 PolarHBondContact O-N 3.15Å; N80-K82 PolarHBondContact O-N 2.87Å; N80-K82 VanDerWaalsContact O-N 3.08Å; N80-K82 WeakPolarHBondContact OD1-CB 3.46Å; N80-K82 PolarHBondContact OD1-N 3.01Å; N80-F83 HydrophobicContact CB-CD2 4.01Å; N80-F83 PolarHBondContact O-N 3.22Å; N80-K84 PolarHBondContact O-N 3.37Å
81	E	97.5	Very high	97.8	Very high	132 Å²	132	66.3 Å²	66.3	62%	0.617	35%	0.348	S	S	*	.	G	3₁₀ helix	trans	-54.7	-31	-177.7	-68.8	-61.3	138.9	0	0	112.7	F83 K84	E81-F83 VanDerWaalsContact C-N 3.26Å; E81-F83 PolarHBondContact O-N 2.8Å; E81-K84 WeakPolarHBondContact O-CB 3.49Å; E81-K84 PolarHBondContact O-N 3.29Å; E81-K84 IonicContact OE1-NZ 3.47Å; E81-K84 PolarHBondContact OE1-NZ 3.21Å; E81-K84 WeakPolarHBondContact OE2-CD 3.44Å; E81-K84 IonicContact OE2-NZ 3.47Å; E81-K84 PolarHBondContact OE2-NZ 2.69Å; E81-K84 VanDerWaalsContact OE2-NZ 3.14Å
82	K	95.4	Very high	97.8	Very high	110 Å²	110	64.7 Å²	64.7	48%	0.478	35%	0.346	S	S	.	.	G	3₁₀ helix	trans	-60.5	-32	174.7	-178.4	179	176.9	-176.3	0	113.6	E65 N80	E65-K82 IonicContact OE1-NZ 2.83Å; E65-K82 PolarHBondContact OE1-NZ 2.89Å; E65-K82 IonicContact OE2-NZ 3.88Å; E65-K82 PolarHBondContact OE2-NZ 3.36Å; N80-K82 PolarHBondContact O-N 2.87Å; N80-K82 VanDerWaalsContact O-N 3.08Å; N80-K82 WeakPolarHBondContact OD1-CB 3.46Å; N80-K82 PolarHBondContact OD1-N 3.01Å
83	F	97.6	Very high	97.8	Very high	5 Å²	5	70.3 Å²	70.3	2%	0.022	37%	0.37	C	S	.	.	G	3₁₀ helix	trans	-103.1	-4.4	-175.5	-66	-86.6	0	0	0	113	K57 E65 I67 N80 E81 G85 K86 A87	K57-F83 HydrophobicContact CB-CZ 4.42Å; K57-F83 HydrophobicContact CD-CE1 4.01Å; K57-F83 HydrophobicContact CD-CZ 3.91Å; E65-F83 HydrophobicContact CB-CE2 4.35Å; E65-F83 HydrophobicContact CB-CZ 4.42Å; I67-F83 HydrophobicContact CB-CD2 4.34Å; I67-F83 HydrophobicContact CB-CG 4.23Å; I67-F83 HydrophobicContact CG1-CD1 4.01Å; I67-F83 HydrophobicContact CG1-CD2 4.18Å; I67-F83 HydrophobicContact CG1-CE1 3.94Å; I67-F83 HydrophobicContact CG1-CE2 4.09Å; I67-F83 HydrophobicContact CG1-CG 4.13Å; I67-F83 HydrophobicContact CG1-CZ 3.97Å; I67-F83 HydrophobicContact CG2-CB 3.83Å; I67-F83 HydrophobicContact CG2-CD1 4.12Å; I67-F83 HydrophobicContact CG2-CD2 4.46Å; I67-F83 HydrophobicContact CG2-CG 3.89Å; N80-F83 HydrophobicContact CB-CD2 4.01Å; N80-F83 PolarHBondContact O-N 3.22Å; E81-F83 VanDerWaalsContact C-N 3.26Å; E81-F83 PolarHBondContact O-N 2.8Å; F83-G85 PolarHBondContact O-N 2.61Å; F83-K86 WeakPolarHBondContact O-CB 3.44Å; F83-K86 PolarHBondContact O-N 3.34Å; F83-A87 HydrophobicContact CB-CB 4.25Å; F83-A87 PolarHBondContact O-N 3.48Å
84	K	96.3	Very high	97.7	Very high	122 Å²	122	66.6 Å²	66.6	53%	0.53	37%	0.372	S	S	.	.	B	Isolated β-bridge	trans	-62.2	128.5	177	-161.5	174	-169.9	170.8	0	110	N80 E81 K86	N80-K84 PolarHBondContact O-N 3.37Å; E81-K84 WeakPolarHBondContact O-CB 3.49Å; E81-K84 PolarHBondContact O-N 3.29Å; E81-K84 IonicContact OE1-NZ 3.47Å; E81-K84 PolarHBondContact OE1-NZ 3.21Å; E81-K84 WeakPolarHBondContact OE2-CD 3.44Å; E81-K84 IonicContact OE2-NZ 3.47Å; E81-K84 PolarHBondContact OE2-NZ 2.69Å; E81-K84 VanDerWaalsContact OE2-NZ 3.14Å; K84-K86 PolarHBondContact O-N 2.89Å; K84-K86 VanDerWaalsContact O-N 3.15Å
85	G	95.1	Very high	97.7	Very high	72 Å²	72	65.5 Å²	65.5	74%	0.742	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.8	-21.5	-174	0	0	0	0	0	115	F83	F83-G85 PolarHBondContact O-N 2.61Å
86	K	96.9	Very high	97.7	Very high	45 Å²	45	65.1 Å²	65.1	20%	0.196	36%	0.355	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.1	-45.8	172.5	-177.4	77	179.8	-165.9	0	111.8	F83 K84 L102 R103 S104 D109	F83-K86 WeakPolarHBondContact O-CB 3.44Å; F83-K86 PolarHBondContact O-N 3.34Å; K84-K86 PolarHBondContact O-N 2.89Å; K84-K86 VanDerWaalsContact O-N 3.15Å; K86-L102 HydrophobicContact CG-CD2 4.37Å; K86-R103 WeakPolarHBondContact CD-O 2.98Å; K86-R103 WeakPolarHBondContact CE-O 3.28Å; K86-R103 PolarHBondContact NZ-O 3.28Å; K86-R103 PolarHBondContact O-N 3.47Å; K86-S104 PolarHBondContact NZ-O 3.27Å; K86-D109 WeakPolarHBondContact CE-OD2 3.48Å; K86-D109 IonicContact NZ-OD2 3.2Å; K86-D109 PolarHBondContact NZ-OD2 2.78Å
87	A	98.4	Very high	97.8	Very high	3 Å²	3	61.5 Å²	61.5	3%	0.025	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	141	179.4	0	0	0	0	0	110.8	I67 Y79 F83 M100 E101 L102	I67-A87 HydrophobicContact CG2-CB 3.74Å; Y79-A87 HydrophobicContact CE1-CB 4.39Å; Y79-A87 WeakPolarHBondContact CE1-O 3.48Å; F83-A87 HydrophobicContact CB-CB 4.25Å; F83-A87 PolarHBondContact O-N 3.48Å; A87-M100 HydrophobicContact CB-CG 4.49Å; A87-E101 CarbonylContact C-O 3.54Å; A87-E101 VanDerWaalsContact CA-O 3.29Å; A87-E101 WeakPolarHBondContact CA-O 3.37Å; A87-L102 HydrophobicContact CB-CD2 3.9Å
88	T	98.6	Very high	97.8	Very high	46 Å²	46	59 Å²	59	28%	0.282	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	119.7	169.9	-61.1	0	0	0	0	109.1	T90 M100 E101	T88-T90 HydrophobicContact CG2-CG2 4.3Å; T88-M100 WeakPolarHBondContact O-CA 3.43Å; T88-E101 PolarHBondContact N-O 2.84Å; T88-E101 PolarHBondContact O-N 3.07Å
89	L	98.8	Very high	97.8	Very high	7 Å²	7	55.7 Å²	55.7	4%	0.037	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	130.9	178.8	-52.7	-175.4	0	0	0	110.5	W55 I70 T77 Y79 Y99 M100	W55-L89 HydrophobicContact CG-CD2 4.11Å; I70-L89 HydrophobicContact CB-CB 4.11Å; I70-L89 HydrophobicContact CG2-CB 4.44Å; T77-L89 HydrophobicContact CG2-CB 4.1Å; Y79-L89 HydrophobicContact CE1-CD1 4.05Å; Y79-L89 HydrophobicContact CE1-CG 3.7Å; Y79-L89 PolarHBondContact OH-N 3.14Å; L89-Y99 WeakPolarHBondContact CA-O 3.41Å; L89-M100 HydrophobicContact CD2-CB 3.74Å; L89-M100 HydrophobicContact CD2-CG 3.63Å; L89-M100 HydrophobicContact CD2-SD 4.25Å
90	T	98.5	Very high	97.8	Very high	63 Å²	63	53 Å²	53	39%	0.387	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139	160.3	176.1	56.1	0	0	0	0	110.5	I70 T88 A98 Y99	I70-T90 VanDerWaalsContact CD1-CA 3.47Å; T88-T90 HydrophobicContact CG2-CG2 4.3Å; T90-A98 CarbonylContact O-C 3.56Å; T90-A98 WeakPolarHBondContact O-CA 3.41Å; T90-Y99 PolarHBondContact N-O 2.98Å; T90-Y99 PolarHBondContact O-N 2.95Å
91	A	98.5	Very high	97.8	Very high	34 Å²	34	53.1 Å²	53.1	28%	0.281	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	134.1	178.3	0	0	0	0	0	110.4	F48 I70 P72 T97	F48-A91 HydrophobicContact CE1-CB 4.13Å; F48-A91 HydrophobicContact CZ-CB 4.12Å; I70-A91 HydrophobicContact CD1-CB 3.73Å; I70-A91 HydrophobicContact CG1-CB 4.32Å; P72-A91 HydrophobicContact CB-CB 4.06Å; P72-A91 HydrophobicContact CG-CB 4.29Å; A91-T97 WeakPolarHBondContact CA-O 3.48Å
92	D	98.2	Very high	97.8	Very high	57 Å²	57	46.9 Å²	46.9	31%	0.305	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	112.6	170.9	174.8	12	0	0	0	109.4	S94 S95 S96 T97 Y99	D92-S94 VanDerWaalsContact C-N 3.3Å; D92-S94 PolarHBondContact O-N 2.77Å; D92-S94 WeakPolarHBondContact OD1-CB 3.14Å; D92-S94 PolarHBondContact OD1-N 2.9Å; D92-S94 PolarHBondContact OD1-OG 3.01Å; D92-S94 PolarHBondContact OD2-OG 3.08Å; D92-S95 WeakPolarHBondContact CB-OG 3.35Å; D92-S95 VanDerWaalsContact OD2-CB 3.3Å; D92-S95 WeakPolarHBondContact OD2-CB 3.42Å; D92-S95 PolarHBondContact OD2-OG 3.04Å; D92-S96 PolarHBondContact O-N 2.81Å; D92-S96 VanDerWaalsContact O-N 3.14Å; D92-T97 PolarHBondContact N-O 3Å; D92-T97 PolarHBondContact O-N 2.95Å; D92-Y99 HydrophobicContact CB-CE2 4.16Å
93	K	97.6	Very high	97.9	Very high	122 Å²	122	47 Å²	47	53%	0.53	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.1	-33.6	-179.7	-65.4	173.3	174.3	176	0	112.1	T49 P72 R73	T49-K93 HydrophobicContact CG2-CG 4.18Å; P72-K93 WeakPolarHBondContact O-CE 3.43Å; R73-K93 PolarHBondContact O-NZ 2.89Å
94	S	97.3	Very high	97.9	Very high	106 Å²	106	50.6 Å²	50.6	74%	0.741	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.4	-37.6	-173.9	70.4	0	0	0	0	112	D92	D92-S94 VanDerWaalsContact C-N 3.3Å; D92-S94 PolarHBondContact O-N 2.77Å; D92-S94 WeakPolarHBondContact OD1-CB 3.14Å; D92-S94 PolarHBondContact OD1-N 2.9Å; D92-S94 PolarHBondContact OD1-OG 3.01Å; D92-S94 PolarHBondContact OD2-OG 3.08Å
95	S	98	Very high	98	Very high	38 Å²	38	45.7 Å²	45.7	27%	0.266	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.7	1	178.2	65.6	0	0	0	0	114	D92 T97	D92-S95 WeakPolarHBondContact CB-OG 3.35Å; D92-S95 VanDerWaalsContact OD2-CB 3.3Å; D92-S95 WeakPolarHBondContact OD2-CB 3.42Å; D92-S95 PolarHBondContact OD2-OG 3.04Å; S95-T97 PolarHBondContact O-N 2.88Å; S95-T97 PolarHBondContact O-OG1 2.84Å; S95-T97 WeakPolarHBondContact OG-CB 3.43Å; S95-T97 PolarHBondContact OG-OG1 3.33Å
96	S	98.1	Very high	98	Very high	36 Å²	36	45.6 Å²	45.6	25%	0.252	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	51.7	41.3	-173.3	-63.6	0	0	0	0	113	A43 D92	A43-S96 PolarHBondContact N-O 2.82Å; A43-S96 WeakPolarHBondContact O-CB 3.39Å; D92-S96 PolarHBondContact O-N 2.81Å; D92-S96 VanDerWaalsContact O-N 3.14Å
97	T	98.7	Very high	97.9	Very high	9 Å²	9	48.4 Å²	48.4	6%	0.055	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	125.3	-172.9	-55.4	0	0	0	0	111.4	C41 K42 A91 D92 S95 Y99	C41-T97 WeakPolarHBondContact O-CA 3.39Å; K42-T97 HydrophobicContact CB-CG2 4.43Å; A91-T97 WeakPolarHBondContact CA-O 3.48Å; D92-T97 PolarHBondContact N-O 3Å; D92-T97 PolarHBondContact O-N 2.95Å; S95-T97 PolarHBondContact O-N 2.88Å; S95-T97 PolarHBondContact O-OG1 2.84Å; S95-T97 WeakPolarHBondContact OG-CB 3.43Å; S95-T97 PolarHBondContact OG-OG1 3.33Å; T97-Y99 HydrophobicContact CG2-CD1 4.28Å; T97-Y99 HydrophobicContact CG2-CD2 4.39Å; T97-Y99 HydrophobicContact CG2-CE1 3.67Å; T97-Y99 HydrophobicContact CG2-CE2 3.78Å; T97-Y99 WeakPolarHBondContact CG2-OH 3.48Å
98	A	98.7	Very high	97.6	Very high	0 Å²	0	53.8 Å²	53.8	0%	0	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	149.7	167.5	0	0	0	0	0	110.1	S40 C41 F48 I53 W55 I70 T90	S40-A98 CarbonylContact C-O 3.55Å; S40-A98 WeakPolarHBondContact CA-O 3.15Å; C41-A98 HydrophobicContact CB-CB 4.49Å; C41-A98 PolarHBondContact N-O 2.88Å; C41-A98 PolarHBondContact O-N 3.44Å; F48-A98 HydrophobicContact CE2-CB 4.42Å; F48-A98 HydrophobicContact CZ-CB 4.12Å; I53-A98 HydrophobicContact CB-CB 4Å; I53-A98 HydrophobicContact CG1-CB 4.05Å; I53-A98 HydrophobicContact CG2-CB 3.78Å; W55-A98 HydrophobicContact CZ2-CB 4.41Å; I70-A98 HydrophobicContact CG2-CB 4.41Å; T90-A98 CarbonylContact O-C 3.56Å; T90-A98 WeakPolarHBondContact O-CA 3.41Å
99	Y	98.7	Very high	97.4	Very high	55 Å²	55	52.5 Å²	52.5	22%	0.216	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	145.3	177.5	-55.7	-87.9	0	0	0	110.9	K38 L39 L89 T90 D92 T97	K38-Y99 HydrophobicContact CD-CD1 4.39Å; K38-Y99 VanDerWaalsContact CE-CD1 3.44Å; K38-Y99 HydrophobicContact CG-CD1 4.37Å; L39-Y99 WeakPolarHBondContact O-CA 3.48Å; L89-Y99 WeakPolarHBondContact CA-O 3.41Å; T90-Y99 PolarHBondContact N-O 2.98Å; T90-Y99 PolarHBondContact O-N 2.95Å; D92-Y99 HydrophobicContact CB-CE2 4.16Å; T97-Y99 HydrophobicContact CG2-CD1 4.28Å; T97-Y99 HydrophobicContact CG2-CD2 4.39Å; T97-Y99 HydrophobicContact CG2-CE1 3.67Å; T97-Y99 HydrophobicContact CG2-CE2 3.78Å; T97-Y99 WeakPolarHBondContact CG2-OH 3.48Å
100	M	98.6	Very high	97.2	Very high	0 Å²	0	56.9 Å²	56.9	0%	0	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	119.9	167.4	177	-179.5	68.9	0	0	108.6	L39 W55 I67 A87 T88 L89 L102 Y113	L39-M100 HydrophobicContact CD1-CE 3.68Å; L39-M100 HydrophobicContact CG-CE 4.47Å; L39-M100 PolarHBondContact N-O 2.83Å; L39-M100 PolarHBondContact O-N 2.82Å; W55-M100 HydrophobicContact CB-SD 3.84Å; W55-M100 HydrophobicContact CD2-CB 3.65Å; W55-M100 HydrophobicContact CD2-CE 4.32Å; W55-M100 HydrophobicContact CD2-CG 4.43Å; W55-M100 HydrophobicContact CD2-SD 4.07Å; W55-M100 HydrophobicContact CE3-CB 3.96Å; W55-M100 HydrophobicContact CE3-CE 3.78Å; W55-M100 HydrophobicContact CE3-SD 4.13Å; W55-M100 HydrophobicContact CG-CB 4.1Å; W55-M100 HydrophobicContact CG-SD 3.97Å; W55-M100 HydrophobicContact CH2-CB 4.19Å; W55-M100 HydrophobicContact CZ2-CB 3.91Å; W55-M100 HydrophobicContact CZ3-CB 4.22Å; W55-M100 HydrophobicContact CZ3-CE 4.28Å; I67-M100 HydrophobicContact CD1-CE 4.03Å; I67-M100 HydrophobicContact CD1-SD 3.56Å; I67-M100 VanDerWaalsContact CD1-SD 3.56Å; I67-M100 HydrophobicContact CG2-SD 3.93Å; A87-M100 HydrophobicContact CB-CG 4.49Å; T88-M100 WeakPolarHBondContact O-CA 3.43Å; L89-M100 HydrophobicContact CD2-CB 3.74Å; L89-M100 HydrophobicContact CD2-CG 3.63Å; L89-M100 HydrophobicContact CD2-SD 4.25Å; M100-L102 HydrophobicContact CE-CD1 3.94Å; M100-L102 HydrophobicContact CE-CG 4.14Å; M100-L102 HydrophobicContact CG-CG 4.45Å; M100-L102 HydrophobicContact SD-CD2 4.42Å; M100-L102 HydrophobicContact SD-CG 4.42Å; M100-Y113 HydrophobicContact CE-CD1 3.6Å; M100-Y113 HydrophobicContact CE-CE1 4.17Å; M100-Y113 HydrophobicContact CE-CG 4.11Å
101	E	98.5	Very high	97.1	Very high	53 Å²	53	55.4 Å²	55.4	25%	0.248	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98	124.4	169.2	-169.9	-171.7	-176.5	0	0	109.4	V37 A87 T88 R103	V37-E101 CarbonylContact O-C 3.55Å; V37-E101 VanDerWaalsContact O-CA 3.28Å; V37-E101 WeakPolarHBondContact O-CA 3.35Å; A87-E101 CarbonylContact C-O 3.54Å; A87-E101 VanDerWaalsContact CA-O 3.29Å; A87-E101 WeakPolarHBondContact CA-O 3.37Å; T88-E101 PolarHBondContact N-O 2.84Å; T88-E101 PolarHBondContact O-N 3.07Å; E101-R103 HydrophobicContact CG-CG 4.29Å; E101-R103 IonicContact OE1-NE 2.88Å; E101-R103 PolarHBondContact OE1-NE 2.93Å; E101-R103 IonicContact OE1-NH2 3.29Å; E101-R103 IonicContact OE2-CZ 3.96Å; E101-R103 IonicContact OE2-NE 3.68Å; E101-R103 PolarHBondContact OE2-NE 2.92Å; E101-R103 IonicContact OE2-NH2 2.93Å; E101-R103 PolarHBondContact OE2-NH2 3.01Å
102	L	98.1	Very high	97	Very high	1 Å²	1	57.2 Å²	57.2	1%	0.005	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	128.4	170.3	-70.4	166.9	0	0	0	108.9	S36 V37 K86 A87 M100 L105 Y113	S36-L102 CarbonylContact C-O 3.57Å; S36-L102 WeakPolarHBondContact CA-O 3.35Å; S36-L102 WeakPolarHBondContact CB-O 3.49Å; V37-L102 HydrophobicContact CG1-CB 3.89Å; V37-L102 HydrophobicContact CG1-CD1 4.45Å; V37-L102 PolarHBondContact N-O 2.69Å; V37-L102 PolarHBondContact O-N 3.04Å; K86-L102 HydrophobicContact CG-CD2 4.37Å; A87-L102 HydrophobicContact CB-CD2 3.9Å; M100-L102 HydrophobicContact CE-CD1 3.94Å; M100-L102 HydrophobicContact CE-CG 4.14Å; M100-L102 HydrophobicContact CG-CG 4.45Å; M100-L102 HydrophobicContact SD-CD2 4.42Å; M100-L102 HydrophobicContact SD-CG 4.42Å; L102-L105 HydrophobicContact CB-CD2 3.89Å; L102-Y113 HydrophobicContact CD1-CD1 4.21Å; L102-Y113 HydrophobicContact CD1-CE1 3.51Å; L102-Y113 HydrophobicContact CD1-CE2 4.07Å; L102-Y113 VanDerWaalsContact CD1-CZ 3.43Å; L102-Y113 WeakPolarHBondContact CD1-OH 3.22Å
103	R	97.5	Very high	97	Very high	112 Å²	112	55.8 Å²	55.8	42%	0.423	32%	0.319	S	S	.	.			trans	-109.1	159.3	-175.9	-59.9	-174.1	174.1	-178.1	0.9	112.3	K86 E101 L105	K86-R103 WeakPolarHBondContact CD-O 2.98Å; K86-R103 WeakPolarHBondContact CE-O 3.28Å; K86-R103 PolarHBondContact NZ-O 3.28Å; K86-R103 PolarHBondContact O-N 3.47Å; E101-R103 HydrophobicContact CG-CG 4.29Å; E101-R103 IonicContact OE1-NE 2.88Å; E101-R103 PolarHBondContact OE1-NE 2.93Å; E101-R103 IonicContact OE1-NH2 3.29Å; E101-R103 IonicContact OE2-CZ 3.96Å; E101-R103 IonicContact OE2-NE 3.68Å; E101-R103 PolarHBondContact OE2-NE 2.92Å; E101-R103 IonicContact OE2-NH2 2.93Å; E101-R103 PolarHBondContact OE2-NH2 3.01Å; R103-L105 VanDerWaalsContact C-N 3.31Å; R103-L105 PolarHBondContact O-N 2.78Å
104	S	97	Very high	97	Very high	81 Å²	81	53.6 Å²	53.6	57%	0.566	31%	0.31	S	S	*	.	S	Bend	trans	52	47.8	173.7	-52.9	0	0	0	0	112.6	A35 K86	A35-S104 PolarHBondContact O-N 2.91Å; A35-S104 VanDerWaalsContact O-N 3.14Å; K86-S104 PolarHBondContact NZ-O 3.27Å
105	L	97.6	Very high	97	Very high	20 Å²	20	49.1 Å²	49.1	11%	0.105	28%	0.278	C	S	.	.			trans	-55.4	142.2	-170.8	-68.5	168.6	0	0	0	113	A31 P33 G34 A35 V37 L102 R103 D109	A31-L105 HydrophobicContact CB-CD1 3.56Å; P33-L105 CarbonylContact C-O 3.53Å; P33-L105 WeakPolarHBondContact CA-O 3.33Å; G34-L105 PolarHBondContact N-O 2.97Å; A35-L105 VanDerWaalsContact O-CG 3.31Å; A35-L105 WeakPolarHBondContact O-CG 3.36Å; A35-L105 PolarHBondContact O-N 3.28Å; V37-L105 HydrophobicContact CB-CD1 4.16Å; V37-L105 HydrophobicContact CG1-CD1 3.65Å; V37-L105 HydrophobicContact CG1-CD2 3.84Å; V37-L105 HydrophobicContact CG1-CG 4.22Å; L102-L105 HydrophobicContact CB-CD2 3.89Å; R103-L105 VanDerWaalsContact C-N 3.31Å; R103-L105 PolarHBondContact O-N 2.78Å; L105-D109 WeakPolarHBondContact CA-OD2 2.98Å; L105-D109 HydrophobicContact CD2-CB 3.73Å
106	T	96.1	Very high	97	Very high	70 Å²	70	49.4 Å²	49.4	43%	0.429	28%	0.283	S	S	.	.			trans	-123	172	172.2	65.4	0	0	0	0	110.2	E108 D109	T106-E108 PolarHBondContact O-N 2.88Å; T106-E108 VanDerWaalsContact O-N 3.12Å; T106-E108 WeakPolarHBondContact OG1-CB 3.15Å; T106-E108 PolarHBondContact OG1-N 2.83Å; T106-D109 PolarHBondContact N-OD2 3.14Å; T106-D109 WeakPolarHBondContact O-CB 3.37Å; T106-D109 PolarHBondContact O-N 3.5Å
107	S	93.7	Very high	96.8	Very high	104 Å²	104	53.2 Å²	53.2	73%	0.727	29%	0.292	S	S	*	.	G	3₁₀ helix	trans	-57.4	-25.7	174.5	52.1	0	0	0	0	112.8	D109 S110	S107-D109 PolarHBondContact O-N 3.13Å; S107-S110 WeakPolarHBondContact O-CB 3.45Å; S107-S110 PolarHBondContact O-N 3.3Å; S107-S110 PolarHBondContact O-OG 2.92Å
108	E	92.9	Very high	96.7	Very high	116 Å²	116	55.5 Å²	55.5	54%	0.542	30%	0.304	S	S	.	.	G	3₁₀ helix	trans	-68.6	-16.6	175.1	-84.2	-163	-136.8	0	0	114.4	K57 R59 T106	K57-E108 WeakPolarHBondContact CE-O 3.46Å; K57-E108 PolarHBondContact NZ-O 3.42Å; R59-E108 IonicContact CZ-OE2 3.14Å; R59-E108 PolarHBondContact NE-O 2.89Å; R59-E108 VanDerWaalsContact NE-O 3.16Å; R59-E108 PolarHBondContact NH2-O 2.83Å; R59-E108 IonicContact NH2-OE2 3.35Å; R59-E108 PolarHBondContact NH2-OE2 2.68Å; T106-E108 PolarHBondContact O-N 2.88Å; T106-E108 VanDerWaalsContact O-N 3.12Å; T106-E108 WeakPolarHBondContact OG1-CB 3.15Å; T106-E108 PolarHBondContact OG1-N 2.83Å
109	D	95.2	Very high	96.6	Very high	18 Å²	18	58.4 Å²	58.4	10%	0.096	32%	0.32	C	S	.	.	G	3₁₀ helix	trans	-88.2	-6.4	177.3	-63.7	-46.3	0	0	0	113.3	K57 K86 L105 T106 S107 A111 Y113	K57-D109 IonicContact NZ-OD1 2.69Å; K57-D109 PolarHBondContact NZ-OD1 2.98Å; K86-D109 WeakPolarHBondContact CE-OD2 3.48Å; K86-D109 IonicContact NZ-OD2 3.2Å; K86-D109 PolarHBondContact NZ-OD2 2.78Å; L105-D109 WeakPolarHBondContact CA-OD2 2.98Å; L105-D109 HydrophobicContact CD2-CB 3.73Å; T106-D109 PolarHBondContact N-OD2 3.14Å; T106-D109 WeakPolarHBondContact O-CB 3.37Å; T106-D109 PolarHBondContact O-N 3.5Å; S107-D109 PolarHBondContact O-N 3.13Å; D109-A111 PolarHBondContact O-N 3.35Å; D109-Y113 WeakPolarHBondContact O-CE2 2.76Å; D109-Y113 PolarHBondContact O-OH 3.22Å
110	S	94.7	Very high	96.4	Very high	99 Å²	99	58.6 Å²	58.6	69%	0.692	33%	0.326	S	S	*	.			trans	-67.4	100.1	170.6	-62.1	0	0	0	0	110.1	S107	S107-S110 WeakPolarHBondContact O-CB 3.45Å; S107-S110 PolarHBondContact O-N 3.3Å; S107-S110 PolarHBondContact O-OG 2.92Å
111	A	96.1	Very high	96.3	Very high	33 Å²	33	62 Å²	62	27%	0.273	35%	0.345	S	S	.	.	S	Bend	trans	-159.3	169.6	-174.1	0	0	0	0	0	110.7	K57 Q58 R59 D109 Y113	K57-A111 HydrophobicContact CD-CB 4.26Å; K57-A111 HydrophobicContact CG-CB 3.67Å; Q58-A111 WeakPolarHBondContact O-CB 3.38Å; R59-A111 HydrophobicContact CG-CB 3.98Å; D109-A111 PolarHBondContact O-N 3.35Å; A111-Y113 HydrophobicContact CB-CE2 3.93Å; A111-Y113 WeakPolarHBondContact O-CD2 3.47Å
112	V	96.5	Very high	96.2	Very high	71 Å²	71	62.6 Å²	62.6	43%	0.43	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	136.4	165.9	-172.5	0	0	0	0	108.2	Q58 F114	Q58-V112 HydrophobicContact CB-CB 4.49Å; Q58-V112 PolarHBondContact N-O 3.12Å; Q58-V112 PolarHBondContact O-N 3.36Å; V112-F114 HydrophobicContact CB-CE2 4.11Å; V112-F114 HydrophobicContact CB-CZ 4.15Å; V112-F114 HydrophobicContact CG1-CD1 4.46Å; V112-F114 HydrophobicContact CG1-CD2 4.37Å; V112-F114 HydrophobicContact CG1-CE1 3.75Å; V112-F114 HydrophobicContact CG1-CE2 3.64Å; V112-F114 HydrophobicContact CG1-CZ 3.3Å
113	Y	97.5	Very high	96	Very high	27 Å²	27	66.7 Å²	66.7	11%	0.106	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	131.1	179	-69.3	-90.4	0	0	0	109.6	Q25 L39 V56 K57 I67 M100 L102 D109 A111	Q25-Y113 PolarHBondContact NE2-O 3.34Å; L39-Y113 HydrophobicContact CD1-CD2 4.24Å; L39-Y113 HydrophobicContact CD1-CG 3.94Å; V56-Y113 CarbonylContact O-C 3.6Å; V56-Y113 WeakPolarHBondContact O-CA 3.31Å; K57-Y113 HydrophobicContact CB-CD1 4.08Å; K57-Y113 HydrophobicContact CB-CE1 3.83Å; K57-Y113 HydrophobicContact CD-CE1 3.94Å; K57-Y113 WeakPolarHBondContact CE-OH 3.39Å; K57-Y113 HydrophobicContact CG-CD1 4.26Å; K57-Y113 HydrophobicContact CG-CE1 3.71Å; I67-Y113 HydrophobicContact CD1-CD1 3.64Å; I67-Y113 HydrophobicContact CD1-CE1 3.74Å; M100-Y113 HydrophobicContact CE-CD1 3.6Å; M100-Y113 HydrophobicContact CE-CE1 4.17Å; M100-Y113 HydrophobicContact CE-CG 4.11Å; L102-Y113 HydrophobicContact CD1-CD1 4.21Å; L102-Y113 HydrophobicContact CD1-CE1 3.51Å; L102-Y113 HydrophobicContact CD1-CE2 4.07Å; L102-Y113 VanDerWaalsContact CD1-CZ 3.43Å; L102-Y113 WeakPolarHBondContact CD1-OH 3.22Å; D109-Y113 WeakPolarHBondContact O-CE2 2.76Å; D109-Y113 PolarHBondContact O-OH 3.22Å; A111-Y113 HydrophobicContact CB-CE2 3.93Å; A111-Y113 WeakPolarHBondContact O-CD2 3.47Å
114	F	97.5	Very high	95.9	Very high	77 Å²	77	63.4 Å²	63.4	34%	0.338	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	141.3	179.8	-59.2	-76.2	0	0	0	110.6	W55 V56 Q58 V112	W55-F114 WeakPolarHBondContact CA-O 3.5Å; V56-F114 PolarHBondContact N-O 3.25Å; V56-F114 PolarHBondContact O-N 3.09Å; Q58-F114 HydrophobicContact CB-CD2 4.27Å; Q58-F114 HydrophobicContact CB-CE2 3.71Å; Q58-F114 HydrophobicContact CG-CE2 4.46Å; Q58-F114 VanDerWaalsContact OE1-CE2 3.24Å; V112-F114 HydrophobicContact CB-CE2 4.11Å; V112-F114 HydrophobicContact CB-CZ 4.15Å; V112-F114 HydrophobicContact CG1-CD1 4.46Å; V112-F114 HydrophobicContact CG1-CD2 4.37Å; V112-F114 HydrophobicContact CG1-CE1 3.75Å; V112-F114 HydrophobicContact CG1-CE2 3.64Å; V112-F114 HydrophobicContact CG1-CZ 3.3Å
115	C	98.2	Very high	95.9	Very high	11 Å²	11	62.1 Å²	62.1	7%	0.074	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	144.4	159	67.3	0	0	0	0	109.7	Q25 C41 I53 S54 W55	Q25-C115 VanDerWaalsContact CD-SG 3.59Å; Q25-C115 HydrophobicContact CG-CB 4.43Å; Q25-C115 WeakPolarHBondContact CG-SG 3.39Å; C41-C115 HydrophobicContact CB-CB 3.46Å; C41-C115 VanDerWaalsContact CB-CB 3.46Å; C41-C115 WeakPolarHBondContact CB-SG 3.43Å; C41-C115 WeakPolarHBondContact SG-CB 3.28Å; C41-C115 CovalentContact SG-SG 2.02Å; C41-C115 PolarHBondContact SG-SG 3.29Å; I53-C115 HydrophobicContact CG2-CB 4.16Å; S54-C115 CarbonylContact O-C 3.4Å; S54-C115 VanDerWaalsContact O-CA 3.31Å; S54-C115 WeakPolarHBondContact O-CA 3.35Å; W55-C115 HydrophobicContact CD2-CB 4.23Å; W55-C115 HydrophobicContact CE3-CB 4.04Å; W55-C115 HydrophobicContact CH2-CB 4.08Å; W55-C115 HydrophobicContact CZ2-CB 4.23Å; W55-C115 HydrophobicContact CZ3-CB 3.98Å
116	A	97.3	Very high	95.7	Very high	44 Å²	44	65.6 Å²	65.6	36%	0.364	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	152.8	177.1	0	0	0	0	0	109.9	I53 S54	I53-A116 CarbonylContact C-O 3.54Å; I53-A116 WeakPolarHBondContact CA-O 3.49Å; S54-A116 PolarHBondContact N-O 2.9Å; S54-A116 PolarHBondContact O-N 3.49Å
117	R	93	Very high	95.7	Very high	117 Å²	117	65.2 Å²	65.2	44%	0.442	37%	0.371	S	S	.	.			trans	-113.6	0	171.9	-177	-160.2	76.4	-179.4	-1.2	109	L23 Y46 Y51 I53	L23-R117 HydrophobicContact CD1-CB 4.14Å; Y46-R117 VanDerWaalsContact CB-NH1 3.32Å; Y46-R117 VanDerWaalsContact CD2-NH1 3.33Å; Y46-R117 HydrophobicContact CE2-CG 4.14Å; Y46-R117 WeakPolarHBondContact OH-CD 3.43Å; Y51-R117 HydrophobicContact CD1-CG 4.26Å; Y51-R117 HydrophobicContact CD2-CG 4.33Å; Y51-R117 HydrophobicContact CG-CG 3.75Å; I53-R117 HydrophobicContact CD1-CB 4.22Å; I53-R117 HydrophobicContact CD1-CG 4.38Å

Retrieved 117 of 117 residues in 154.5 ms (Link to these results)

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