A0A075B623_MOUSE Loading...

T cell receptor alpha variable 6N-6

AlphaFold DB , UniProt , Accession A0A075B623, Species MOUSE (Mus musculus, Mouse), Gene Trav6n-6, Length 95 aa.

						>A0A075B623_MOUSE|A0A075B623|Trav6n-6
GDSVTQTEGQVTVSESKSLIINCTYSATSIGYPNLFWYVRYPGEGLQLLLKVITAGQKGSSRGFEATYNKEATSFHLQKASVQESDSAVYYCALS
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	G	85.4	Confident	94.7	Very high	86 Å²	86	87.5 Å²	87.5	89%	0.887	54%	0.539	S	S	*	.				0	178.1	0	0	0	0	0	0	108.6
2	D	90.5	Very high	94.7	Very high	70 Å²	70	90.2 Å²	90.2	37%	0.374	56%	0.555	S	S	.	*			trans	-89.7	140.5	-174.2	-54.9	-9.6	0	0	0	110.4	S26 A27 T28 L94	D2-S26 CarbonylContact C-O 3.57Å; D2-S26 WeakPolarHBondContact CA-O 3.04Å; D2-A27 WeakPolarHBondContact OD1-CA 3.5Å; D2-T28 WeakPolarHBondContact OD1-CB 3.27Å; D2-T28 PolarHBondContact OD1-N 3.09Å; D2-T28 PolarHBondContact OD1-OG1 3.24Å; D2-L94 HydrophobicContact CB-CD1 3.54Å; D2-L94 HydrophobicContact CB-CD2 4.18Å
3	S	95	Very high	94.8	Very high	58 Å²	58	87.5 Å²	87.5	41%	0.406	54%	0.538	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.3	157.1	-177.2	65.1	0	0	0	0	112.3	Y25 S26 L94	S3-Y25 CarbonylContact O-C 3.56Å; S3-Y25 VanDerWaalsContact O-CA 3.28Å; S3-Y25 WeakPolarHBondContact O-CA 3.36Å; S3-S26 PolarHBondContact N-O 2.95Å; S3-S26 PolarHBondContact O-N 2.85Å; S3-L94 VanDerWaalsContact O-CD2 3.23Å; S3-L94 WeakPolarHBondContact O-CD2 3.38Å
4	V	97.1	Very high	94.9	Very high	44 Å²	44	87.3 Å²	87.3	27%	0.267	54%	0.542	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	141	172.2	177.6	0	0	0	0	108.5	C23 T24 C92 L94	V4-C23 WeakPolarHBondContact CG1-SG 3.26Å; V4-T24 CarbonylContact C-O 3.55Å; V4-T24 WeakPolarHBondContact CA-O 3.31Å; V4-C92 HydrophobicContact CG1-CB 3.8Å; V4-L94 HydrophobicContact CG2-CB 4.16Å; V4-L94 HydrophobicContact CG2-CD2 3.61Å; V4-L94 HydrophobicContact CG2-CG 3.89Å
5	T	97.7	Very high	95	Very high	84 Å²	84	89.2 Å²	89.2	52%	0.515	54%	0.542	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	125.8	169.9	-56.2	0	0	0	0	108	C23 T24	T5-C23 CarbonylContact O-C 3.53Å; T5-C23 WeakPolarHBondContact O-CA 3.27Å; T5-T24 PolarHBondContact N-O 2.97Å; T5-T24 PolarHBondContact O-N 2.88Å; T5-T24 PolarHBondContact O-OG1 3.01Å
6	Q	97.7	Very high	95	Very high	72 Å²	72	89.4 Å²	89.4	34%	0.336	55%	0.549	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	168.6	-177.7	65.9	-173	-37.8	0	0	111.1	E8 N22 Y90	Q6-E8 PolarHBondContact O-N 2.97Å; Q6-N22 CarbonylContact C-O 3.52Å; Q6-N22 WeakPolarHBondContact CA-O 3.35Å; Q6-Y90 PolarHBondContact OE1-O 2.9Å
7	T	97.1	Very high	95.2	Very high	48 Å²	48	91.7 Å²	91.7	29%	0.294	55%	0.549	S	S	.	.			trans	-55	125.8	174.7	-55.3	0	0	0	0	109.9	V11 N22	T7-V11 HydrophobicContact CG2-CG2 3.81Å; T7-N22 PolarHBondContact N-O 3.23Å; T7-N22 WeakPolarHBondContact OG1-CB 3.49Å; T7-N22 PolarHBondContact OG1-N 3.09Å; T7-N22 PolarHBondContact OG1-O 3.39Å
8	E	94.9	Very high	95.3	Very high	178 Å²	178	91.5 Å²	91.5	83%	0.832	55%	0.553	S	S	*	*			trans	-84.6	148.3	-178.3	-64	-173.3	172.8	0	0	111.8	Q6	Q6-E8 PolarHBondContact O-N 2.97Å
9	G	94.5	Very high	95.4	Very high	74 Å²	74	87.7 Å²	87.7	76%	0.763	53%	0.529	S	S	*	.	S	Bend	trans	74.8	-163.9	173.7	0	0	0	0	0	114.4
10	Q	95.1	Very high	95.5	Very high	180 Å²	180	87.9 Å²	87.9	84%	0.841	53%	0.526	S	S	*	.			trans	-85.9	134	-178.6	-175.1	176	2.6	0	0	110.5
11	V	96.1	Very high	95.6	Very high	69 Å²	69	84.5 Å²	84.5	42%	0.418	51%	0.505	S	S	.	.			trans	-106.7	120	172.6	-178.6	0	0	0	0	108.5	T7 V13 L19	T7-V11 HydrophobicContact CG2-CG2 3.81Å; V11-V13 HydrophobicContact CG1-CG2 3.9Å; V11-L19 HydrophobicContact CG1-CD1 3.73Å
12	T	95.8	Very high	96.2	Very high	119 Å²	119	84.3 Å²	84.3	73%	0.73	48%	0.484	S	S	*	.			trans	-110.5	125.2	176.8	-55.7	0	0	0	0	109.4
13	V	95.2	Very high	96.6	Very high	55 Å²	55	81 Å²	81	33%	0.333	47%	0.466	S	S	.	.			trans	-135	138.2	-178.4	-175.6	0	0	0	0	108.8	V11 K17 L19 V82	V11-V13 HydrophobicContact CG1-CG2 3.9Å; V13-K17 HydrophobicContact CG1-CB 3.68Å; V13-L19 HydrophobicContact CG2-CD1 3.81Å; V13-V82 HydrophobicContact CB-CG2 4.35Å; V13-V82 HydrophobicContact CG1-CG2 3.82Å
14	S	96.4	Very high	96.7	Very high	85 Å²	85	80.7 Å²	80.7	59%	0.594	46%	0.462	S	S	*	.			trans	-71.1	147.5	173.3	-52.7	0	0	0	0	111	K17 V82	S14-K17 VanDerWaalsContact O-CB 3.27Å; S14-K17 WeakPolarHBondContact O-CB 3.3Å; S14-K17 WeakPolarHBondContact O-CG 3.33Å; S14-K17 PolarHBondContact O-N 3.09Å; S14-V82 VanDerWaalsContact O-CG2 3.23Å; S14-V82 WeakPolarHBondContact O-CG2 3.48Å
15	E	95.9	Very high	96.7	Very high	116 Å²	116	79.5 Å²	79.5	54%	0.542	45%	0.453	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.6	151.3	175	-63.9	-161.6	131.4	0	0	112.5	K17 E84	E15-K17 PolarHBondContact O-N 3Å; E15-K17 VanDerWaalsContact O-N 3.09Å; E15-E84 WeakPolarHBondContact OE1-CB 3.46Å; E15-E84 PolarHBondContact OE1-N 2.82Å
16	S	96.1	Very high	96.5	Very high	92 Å²	92	78.4 Å²	78.4	64%	0.643	45%	0.449	S	S	*	.	T	Hydrogen-bonded Turn	trans	62.6	8.4	-177.8	-53	0	0	0	0	115.4	S81 V82	S16-S81 WeakPolarHBondContact CA-OG 3.23Å; S16-V82 PolarHBondContact N-O 3.11Å
17	K	97.6	Very high	96.2	Very high	129 Å²	129	76.6 Å²	76.6	56%	0.561	45%	0.446	S	S	*	.	S	Bend	trans	-92.8	158.4	168.9	-59.4	-63	-176.9	-178.9	0	111.3	V13 S14 E15 A80 V82	V13-K17 HydrophobicContact CG1-CB 3.68Å; S14-K17 VanDerWaalsContact O-CB 3.27Å; S14-K17 WeakPolarHBondContact O-CB 3.3Å; S14-K17 WeakPolarHBondContact O-CG 3.33Å; S14-K17 PolarHBondContact O-N 3.09Å; E15-K17 PolarHBondContact O-N 3Å; E15-K17 VanDerWaalsContact O-N 3.09Å; K17-A80 CarbonylContact C-O 3.58Å; K17-V82 VanDerWaalsContact O-CG2 3.3Å; K17-V82 WeakPolarHBondContact O-CG2 3.31Å; K17-V82 PolarHBondContact O-N 2.83Å
18	S	97.3	Very high	95.5	Very high	88 Å²	88	79 Å²	79	62%	0.615	46%	0.46	S	S	*	.			trans	-76	138.7	172.5	57.9	0	0	0	0	111	K79 A80	S18-K79 CarbonylContact C-O 3.55Å; S18-K79 VanDerWaalsContact CA-O 3.27Å; S18-K79 WeakPolarHBondContact CA-O 3.44Å; S18-A80 WeakPolarHBondContact CA-O 3.48Å; S18-A80 PolarHBondContact N-O 2.87Å
19	L	96.8	Very high	94.6	Very high	19 Å²	19	73.5 Å²	73.5	10%	0.099	44%	0.442	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	140.4	173.8	168.7	68.5	0	0	0	109.8	V11 V13 I21 F64 Q78 K79 V82	V11-L19 HydrophobicContact CG1-CD1 3.73Å; V13-L19 HydrophobicContact CG2-CD1 3.81Å; L19-I21 HydrophobicContact CD1-CG1 3.98Å; L19-I21 HydrophobicContact CD2-CD1 4.21Å; L19-I21 HydrophobicContact CD2-CG1 4.16Å; L19-I21 HydrophobicContact CG-CG1 4.09Å; L19-F64 HydrophobicContact CD2-CE1 4.43Å; L19-Q78 WeakPolarHBondContact O-CA 3.24Å; L19-K79 PolarHBondContact N-O 2.92Å; L19-K79 PolarHBondContact O-N 3.24Å; L19-V82 HydrophobicContact CB-CG1 3.46Å; L19-V82 VanDerWaalsContact CB-CG1 3.46Å; L19-V82 HydrophobicContact CD2-CG1 4.05Å; L19-V82 HydrophobicContact CG-CG1 4.4Å
20	I	97.7	Very high	93.5	Very high	91 Å²	91	78.4 Å²	78.4	47%	0.467	45%	0.449	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	123.2	166.1	-56.2	-179.8	0	0	0	107.8	H76 L77 Q78	I20-H76 HydrophobicContact CG2-CB 4.2Å; I20-L77 CarbonylContact C-O 3.57Å; I20-L77 VanDerWaalsContact CA-O 3.31Å; I20-L77 WeakPolarHBondContact CA-O 3.22Å; I20-Q78 HydrophobicContact CG1-CG 4.19Å; I20-Q78 HydrophobicContact CG2-CG 4.35Å
21	I	98.1	Very high	92.7	Very high	18 Å²	18	72 Å²	72	9%	0.092	43%	0.432	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	113.8	169.3	-52.3	-178.8	0	0	0	107.4	L19 W37 H76 L77 Y90	L19-I21 HydrophobicContact CD1-CG1 3.98Å; L19-I21 HydrophobicContact CD2-CD1 4.21Å; L19-I21 HydrophobicContact CD2-CG1 4.16Å; L19-I21 HydrophobicContact CG-CG1 4.09Å; I21-W37 HydrophobicContact CB-CH2 4.1Å; I21-W37 HydrophobicContact CG2-CH2 3.68Å; I21-W37 HydrophobicContact CG2-CZ3 4.25Å; I21-H76 WeakPolarHBondContact O-CA 3.5Å; I21-L77 HydrophobicContact CB-CB 4.24Å; I21-L77 HydrophobicContact CD1-CD2 4.38Å; I21-L77 PolarHBondContact N-O 2.96Å; I21-L77 PolarHBondContact O-N 3Å; I21-Y90 HydrophobicContact CD1-CD2 3.91Å; I21-Y90 HydrophobicContact CD1-CG 3.96Å
22	N	98.2	Very high	92.1	Very high	82 Å²	82	75 Å²	75	44%	0.439	44%	0.436	S	S	.	.			trans	-68.6	139	178.5	-62.6	-28.1	0	0	0	110.2	Q6 T7	Q6-N22 CarbonylContact C-O 3.52Å; Q6-N22 WeakPolarHBondContact CA-O 3.35Å; T7-N22 PolarHBondContact N-O 3.23Å; T7-N22 WeakPolarHBondContact OG1-CB 3.49Å; T7-N22 PolarHBondContact OG1-N 3.09Å; T7-N22 PolarHBondContact OG1-O 3.39Å
23	C	98.4	Very high	92	Very high	0 Å²	0	69.5 Å²	69.5	0%	0	40%	0.403	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.5	125.6	169.3	172.8	0	0	0	0	108.3	V4 T5 W37 S74 F75 H76 C92	V4-C23 WeakPolarHBondContact CG1-SG 3.26Å; T5-C23 CarbonylContact O-C 3.53Å; T5-C23 WeakPolarHBondContact O-CA 3.27Å; C23-W37 HydrophobicContact CB-CH2 3.94Å; C23-W37 HydrophobicContact CB-CZ2 3.41Å; C23-W37 VanDerWaalsContact CB-CZ2 3.41Å; C23-S74 WeakPolarHBondContact O-CA 3.44Å; C23-F75 PolarHBondContact O-N 3.41Å; C23-H76 PolarHBondContact N-ND1 2.88Å; C23-H76 VanDerWaalsContact N-ND1 3.12Å; C23-H76 PolarHBondContact O-CE1 3.22Å; C23-H76 VanDerWaalsContact O-CE1 3.3Å; C23-H76 PolarHBondContact O-ND1 2.98Å; C23-C92 HydrophobicContact CB-CB 3.59Å; C23-C92 WeakPolarHBondContact CB-SG 3.33Å; C23-C92 WeakPolarHBondContact SG-CB 3.08Å; C23-C92 CovalentContact SG-SG 2.02Å; C23-C92 PolarHBondContact SG-SG 3.47Å
24	T	97.8	Very high	92	Very high	52 Å²	52	69.3 Å²	69.3	32%	0.319	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	156	170	56.1	0	0	0	0	109.3	V4 T5 T73	V4-T24 CarbonylContact C-O 3.55Å; V4-T24 WeakPolarHBondContact CA-O 3.31Å; T5-T24 PolarHBondContact N-O 2.97Å; T5-T24 PolarHBondContact O-N 2.88Å; T5-T24 PolarHBondContact O-OG1 3.01Å; T24-T73 CarbonylContact C-O 3.55Å; T24-T73 WeakPolarHBondContact CA-O 2.98Å; T24-T73 WeakPolarHBondContact CB-O 3.39Å
25	Y	95.7	Very high	92	Very high	18 Å²	18	65.3 Å²	65.3	7%	0.071	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	154.4	-179.5	69.3	-90.3	0	0	0	111.1	S3 A27 P33 L35 Y68 T73	S3-Y25 CarbonylContact O-C 3.56Å; S3-Y25 VanDerWaalsContact O-CA 3.28Å; S3-Y25 WeakPolarHBondContact O-CA 3.36Å; Y25-A27 HydrophobicContact CD2-CB 4.23Å; Y25-A27 HydrophobicContact CE2-CB 4.43Å; Y25-P33 HydrophobicContact CD2-CG 3.79Å; Y25-P33 HydrophobicContact CE2-CG 3.68Å; Y25-L35 HydrophobicContact CD1-CD1 4.11Å; Y25-L35 HydrophobicContact CD1-CD2 3.81Å; Y25-L35 HydrophobicContact CE1-CD1 3.87Å; Y25-L35 HydrophobicContact CE1-CD2 4.36Å; Y25-L35 HydrophobicContact CG-CD2 4.1Å; Y25-Y68 HydrophobicContact CE1-CE2 4.05Å; Y25-Y68 AromaticContact CZ-CE2 3.94Å; Y25-Y68 WeakPolarHBondContact OH-CE2 3.48Å; Y25-T73 WeakPolarHBondContact CD1-O 3.45Å; Y25-T73 PolarHBondContact N-O 3.29Å; Y25-T73 WeakPolarHBondContact O-CB 3.2Å
26	S	94.5	Very high	92.1	Very high	62 Å²	62	61.3 Å²	61.3	43%	0.434	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	124.4	166.3	169.2	0	0	0	0	106.8	D2 S3	D2-S26 CarbonylContact C-O 3.57Å; D2-S26 WeakPolarHBondContact CA-O 3.04Å; S3-S26 PolarHBondContact N-O 2.95Å; S3-S26 PolarHBondContact O-N 2.85Å
27	A	90.3	Very high	92.3	Very high	34 Å²	34	56.9 Å²	56.9	28%	0.281	32%	0.322	S	S	.	.			trans	-125.8	138.1	176.6	0	0	0	0	0	109.5	D2 Y25 P33	D2-A27 WeakPolarHBondContact OD1-CA 3.5Å; Y25-A27 HydrophobicContact CD2-CB 4.23Å; Y25-A27 HydrophobicContact CE2-CB 4.43Å; A27-P33 HydrophobicContact CB-CB 4.41Å; A27-P33 HydrophobicContact CB-CG 3.87Å
28	T	82.5	Confident	92.3	Very high	97 Å²	97	54.1 Å²	54.1	60%	0.595	31%	0.308	S	S	*	.			trans	-96.5	-13.7	-177.8	51.6	0	0	0	0	113.2	D2	D2-T28 WeakPolarHBondContact OD1-CB 3.27Å; D2-T28 PolarHBondContact OD1-N 3.09Å; D2-T28 PolarHBondContact OD1-OG1 3.24Å
29	S	76.9	Confident	92.4	Very high	64 Å²	64	49.9 Å²	49.9	45%	0.448	28%	0.279	S	S	.	.	S	Bend	trans	-73.3	149.1	179.9	52.2	0	0	0	0	112	G31	S29-G31 PolarHBondContact O-N 2.81Å; S29-G31 PolarHBondContact OG-O 2.77Å
30	I	71.4	Confident	92.4	Very high	177 Å²	177	54.5 Å²	54.5	91%	0.908	30%	0.295	S	S	*	.	S	Bend	trans	-65.6	-25.9	173.3	-60	172.8	0	0	0	110.2
31	G	77.5	Confident	92.4	Very high	46 Å²	46	51.8 Å²	51.8	47%	0.474	28%	0.279	S	S	.	.	S	Bend	trans	-83.6	150.6	173.3	0	0	0	0	0	112.3	S29	S29-G31 PolarHBondContact O-N 2.81Å; S29-G31 PolarHBondContact OG-O 2.77Å
32	Y	84.9	Confident	92.3	Very high	130 Å²	130	56.2 Å²	56.2	51%	0.51	31%	0.309	S	S	.	.	P	Polyproline II helix	trans	-75	132.4	173.5	-62.4	-55.3	0	0	0	109.9	Y68 K70	Y32-Y68 WeakPolarHBondContact CB-OH 3.21Å; Y32-K70 HydrophobicContact CD1-CD 3.91Å; Y32-K70 HydrophobicContact CD1-CG 4.13Å; Y32-K70 HydrophobicContact CD2-CD 4.43Å; Y32-K70 HydrophobicContact CE1-CD 3.46Å; Y32-K70 VanDerWaalsContact CE1-CD 3.46Å; Y32-K70 HydrophobicContact CE1-CG 3.93Å; Y32-K70 HydrophobicContact CE2-CD 3.99Å; Y32-K70 HydrophobicContact CG-CD 4.43Å; Y32-K70 WeakPolarHBondContact OH-CE 3.43Å; Y32-K70 PolarHBondContact OH-NZ 2.92Å
33	P	93	Very high	92.2	Very high	5 Å²	5	56.7 Å²	56.7	3%	0.032	33%	0.333	C	S	.	.	P	Polyproline II helix	trans	-65.3	154.2	179.2	28.2	-36.2	0	0	0	110.8	Y25 A27 Y68 L94 S95	Y25-P33 HydrophobicContact CD2-CG 3.79Å; Y25-P33 HydrophobicContact CE2-CG 3.68Å; A27-P33 HydrophobicContact CB-CB 4.41Å; A27-P33 HydrophobicContact CB-CG 3.87Å; P33-Y68 WeakPolarHBondContact CD-OH 3.23Å; P33-Y68 WeakPolarHBondContact CG-OH 3.27Å; P33-Y68 WeakPolarHBondContact O-CE1 3.45Å; P33-Y68 PolarHBondContact O-OH 2.87Å; P33-L94 HydrophobicContact CB-CB 4.11Å; P33-S95 CarbonylContact C-O 3.49Å; P33-S95 VanDerWaalsContact CA-O 3.26Å; P33-S95 WeakPolarHBondContact CA-O 3.39Å; P33-S95 WeakPolarHBondContact CB-O 3.21Å
34	N	94.8	Very high	92.1	Very high	51 Å²	51	61.5 Å²	61.5	27%	0.273	36%	0.356	S	S	.	.	P	Polyproline II helix	trans	-77.1	136.1	162.8	-62.9	-41.5	0	0	0	108.8	F36 I53 L94 S95	N34-F36 HydrophobicContact CB-CE2 3.49Å; N34-F36 VanDerWaalsContact CB-CE2 3.49Å; N34-F36 HydrophobicContact CB-CZ 3.56Å; N34-F36 VanDerWaalsContact O-CE2 3.29Å; N34-F36 WeakPolarHBondContact O-CE2 3.44Å; N34-I53 HydrophobicContact CB-CD1 3.72Å; N34-I53 WeakPolarHBondContact OD1-CD1 3.44Å; N34-I53 WeakPolarHBondContact OD1-CG2 3.38Å; N34-L94 CarbonylContact O-C 3.52Å; N34-L94 VanDerWaalsContact O-CA 3.26Å; N34-L94 WeakPolarHBondContact O-CA 3.33Å; N34-S95 PolarHBondContact N-O 2.67Å; N34-S95 PolarHBondContact O-N 3.16Å
35	L	97.3	Very high	92.1	Very high	0 Å²	0	61.5 Å²	61.5	0%	0	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	137.8	-176.1	-68.1	163.9	0	0	0	111.2	Y25 K51 V52 Y68 F75 L94	Y25-L35 HydrophobicContact CD1-CD1 4.11Å; Y25-L35 HydrophobicContact CD1-CD2 3.81Å; Y25-L35 HydrophobicContact CE1-CD1 3.87Å; Y25-L35 HydrophobicContact CE1-CD2 4.36Å; Y25-L35 HydrophobicContact CG-CD2 4.1Å; L35-K51 CarbonylContact O-C 3.55Å; L35-K51 VanDerWaalsContact O-CA 3.31Å; L35-K51 WeakPolarHBondContact O-CA 3.47Å; L35-V52 PolarHBondContact N-O 2.8Å; L35-V52 PolarHBondContact O-N 3.45Å; L35-Y68 HydrophobicContact CD1-CD1 3.75Å; L35-Y68 HydrophobicContact CD1-CD2 3.41Å; L35-Y68 VanDerWaalsContact CD1-CD2 3.41Å; L35-Y68 HydrophobicContact CD1-CE1 3.7Å; L35-Y68 HydrophobicContact CD1-CE2 3.4Å; L35-Y68 HydrophobicContact CD1-CG 3.58Å; L35-Y68 VanDerWaalsContact CD1-CZ 3.49Å; L35-Y68 HydrophobicContact CG-CE1 4.26Å; L35-F75 HydrophobicContact CB-CB 4.45Å; L35-F75 HydrophobicContact CB-CD1 3.58Å; L35-F75 HydrophobicContact CB-CD2 4.15Å; L35-F75 HydrophobicContact CB-CE1 3.69Å; L35-F75 HydrophobicContact CB-CE2 4.29Å; L35-F75 HydrophobicContact CB-CG 3.81Å; L35-F75 HydrophobicContact CB-CZ 4.06Å; L35-F75 HydrophobicContact CD1-CB 3.94Å; L35-F75 HydrophobicContact CD1-CD2 4.11Å; L35-F75 HydrophobicContact CD1-CG 3.96Å; L35-F75 HydrophobicContact CD2-CB 4.43Å; L35-F75 HydrophobicContact CG-CD1 4.48Å; L35-F75 HydrophobicContact CG-CG 4.37Å; L35-L94 HydrophobicContact CD2-CB 4.07Å
36	F	98.2	Very high	92.2	Very high	32 Å²	32	65.5 Å²	65.5	14%	0.14	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	143.6	-172.8	-50.7	-97.1	0	0	0	110.7	N34 Y38 L48 K51 A93	N34-F36 HydrophobicContact CB-CE2 3.49Å; N34-F36 VanDerWaalsContact CB-CE2 3.49Å; N34-F36 HydrophobicContact CB-CZ 3.56Å; N34-F36 VanDerWaalsContact O-CE2 3.29Å; N34-F36 WeakPolarHBondContact O-CE2 3.44Å; F36-Y38 HydrophobicContact CB-CD2 4.1Å; F36-Y38 HydrophobicContact CB-CE2 3.75Å; F36-Y38 HydrophobicContact CG-CE2 4.3Å; F36-L48 HydrophobicContact CB-CD1 4.36Å; F36-L48 HydrophobicContact CD1-CD1 4Å; F36-K51 HydrophobicContact CD1-CB 3.51Å; F36-K51 HydrophobicContact CE1-CB 3.79Å; F36-K51 HydrophobicContact CE1-CD 4.15Å; F36-K51 HydrophobicContact CG-CB 4.42Å; F36-A93 HydrophobicContact CB-CB 4.36Å; F36-A93 PolarHBondContact N-O 2.71Å; F36-A93 PolarHBondContact O-N 3.14Å
37	W	98.6	Very high	92.3	Very high	0 Å²	0	65 Å²	65	0%	0	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	130.8	159	-81.8	99.5	0	0	0	109	I21 C23 L49 L50 F75 L77 Y91 C92	I21-W37 HydrophobicContact CB-CH2 4.1Å; I21-W37 HydrophobicContact CG2-CH2 3.68Å; I21-W37 HydrophobicContact CG2-CZ3 4.25Å; C23-W37 HydrophobicContact CB-CH2 3.94Å; C23-W37 HydrophobicContact CB-CZ2 3.41Å; C23-W37 VanDerWaalsContact CB-CZ2 3.41Å; W37-L49 HydrophobicContact CB-CB 4.27Å; W37-L49 HydrophobicContact CB-CD2 4.33Å; W37-L49 WeakPolarHBondContact O-CA 3.26Å; W37-L49 WeakPolarHBondContact O-CB 3.34Å; W37-L49 PolarHBondContact O-N 3.3Å; W37-L50 HydrophobicContact CB-CD1 4.08Å; W37-L50 HydrophobicContact CB-CG 4.12Å; W37-L50 HydrophobicContact CG-CD1 4.35Å; W37-L50 PolarHBondContact N-O 3.42Å; W37-L50 PolarHBondContact O-N 3.12Å; W37-F75 AromaticContact CD1-CD1 3.44Å; W37-F75 VanDerWaalsContact CD1-CD1 3.44Å; W37-F75 AromaticContact CD1-CE1 3.24Å; W37-F75 HydrophobicContact CG-CE1 4.27Å; W37-F75 WeakPolarHBondContact CZ2-O 3.47Å; W37-F75 AromaticContact NE1-CD1 3.36Å; W37-F75 AromaticContact NE1-CE1 3.7Å; W37-F75 PolarHBondContact NE1-O 3.27Å; W37-L77 HydrophobicContact CB-CD1 4.26Å; W37-L77 HydrophobicContact CD2-CB 3.9Å; W37-L77 HydrophobicContact CD2-CD1 4.15Å; W37-L77 HydrophobicContact CD2-CD2 4.04Å; W37-L77 HydrophobicContact CD2-CG 4.26Å; W37-L77 HydrophobicContact CE3-CB 4.36Å; W37-L77 HydrophobicContact CE3-CD2 4Å; W37-L77 HydrophobicContact CG-CB 4.4Å; W37-L77 HydrophobicContact CG-CD1 3.81Å; W37-L77 HydrophobicContact CG-CD2 4.39Å; W37-L77 HydrophobicContact CG-CG 4.43Å; W37-L77 HydrophobicContact CH2-CB 4.08Å; W37-L77 HydrophobicContact CZ2-CB 3.6Å; W37-L77 HydrophobicContact CZ3-CB 4.45Å; W37-L77 HydrophobicContact CZ3-CD2 4.41Å; W37-Y91 WeakPolarHBondContact CA-O 3.36Å; W37-Y91 VanDerWaalsContact CE3-C 3.48Å; W37-C92 HydrophobicContact CD2-CB 4.21Å; W37-C92 HydrophobicContact CE3-CB 4.09Å; W37-C92 HydrophobicContact CH2-CB 3.68Å; W37-C92 HydrophobicContact CZ2-CB 3.78Å; W37-C92 HydrophobicContact CZ3-CB 3.83Å
38	Y	98.5	Very high	92.7	Very high	70 Å²	70	67.1 Å²	67.1	28%	0.275	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	154.2	168.7	-74.5	-97.8	0	0	0	109.9	F36 L46 Q47 L48 Y90 Y91	F36-Y38 HydrophobicContact CB-CD2 4.1Å; F36-Y38 HydrophobicContact CB-CE2 3.75Å; F36-Y38 HydrophobicContact CG-CE2 4.3Å; Y38-L46 HydrophobicContact CD1-CD1 4.43Å; Y38-L46 HydrophobicContact CD1-CD2 3.82Å; Y38-L46 HydrophobicContact CD1-CG 3.69Å; Y38-L46 HydrophobicContact CE1-CD2 4.37Å; Y38-L46 HydrophobicContact CG-CD1 4.4Å; Y38-L46 HydrophobicContact CG-CD2 4.11Å; Y38-L46 HydrophobicContact CG-CG 4.1Å; Y38-Q47 CarbonylContact C-O 3.49Å; Y38-Q47 WeakPolarHBondContact CA-O 3.38Å; Y38-Q47 WeakPolarHBondContact CB-O 3.37Å; Y38-Q47 VanDerWaalsContact CD1-C 3.45Å; Y38-Q47 VanDerWaalsContact CD1-O 3.27Å; Y38-Q47 WeakPolarHBondContact CD1-O 3.37Å; Y38-L48 HydrophobicContact CD1-CB 4.38Å; Y38-L48 HydrophobicContact CD2-CD1 4.49Å; Y38-L48 HydrophobicContact CE1-CB 4.05Å; Y38-L48 HydrophobicContact CE1-CD1 4.23Å; Y38-L48 HydrophobicContact CE2-CD1 4.08Å; Y38-Y90 CarbonylContact O-C 3.5Å; Y38-Y90 WeakPolarHBondContact O-CA 3.35Å; Y38-Y91 PolarHBondContact N-O 3.5Å; Y38-Y91 PolarHBondContact O-N 3.01Å
39	V	98.5	Very high	93.5	Very high	0 Å²	0	62.8 Å²	62.8	0%	0	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	141.6	175.8	63.1	0	0	0	0	109.5	Y41 Q47 L49 A88 V89 Y90	V39-Y41 HydrophobicContact CB-CE2 4.35Å; V39-Y41 HydrophobicContact CG1-CD2 4.48Å; V39-Y41 HydrophobicContact CG1-CE2 3.69Å; V39-Y41 HydrophobicContact CG2-CD2 4.24Å; V39-Y41 HydrophobicContact CG2-CE1 4.15Å; V39-Y41 HydrophobicContact CG2-CE2 3.69Å; V39-Q47 HydrophobicContact CG1-CB 4.14Å; V39-Q47 PolarHBondContact N-O 2.66Å; V39-Q47 PolarHBondContact O-N 2.97Å; V39-L49 HydrophobicContact CB-CB 4.36Å; V39-L49 HydrophobicContact CG1-CB 4.12Å; V39-L49 HydrophobicContact CG1-CD1 4.47Å; V39-A88 HydrophobicContact CG2-CB 3.56Å; V39-V89 CarbonylContact C-O 3.52Å; V39-V89 WeakPolarHBondContact CA-O 3.26Å; V39-Y90 HydrophobicContact CB-CD1 4.11Å; V39-Y90 HydrophobicContact CB-CE1 4.03Å; V39-Y90 HydrophobicContact CG2-CD1 3.98Å; V39-Y90 HydrophobicContact CG2-CE1 3.59Å; V39-Y90 HydrophobicContact CG2-CE2 4.49Å
40	R	98.2	Very high	94.5	Very high	116 Å²	116	60.2 Å²	60.2	44%	0.438	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	103.9	173.6	-170.5	-176	76.5	169.9	4.4	109.3	E44 L46 V89 Y91	R40-E44 WeakPolarHBondContact CG-O 3.42Å; R40-L46 HydrophobicContact CB-CD1 4.2Å; R40-V89 PolarHBondContact N-O 2.77Å; R40-V89 PolarHBondContact O-N 2.99Å; R40-Y91 HydrophobicContact CB-CE2 4.25Å
41	Y	97.4	Very high	95.8	Very high	33 Å²	33	57.7 Å²	57.7	13%	0.129	32%	0.321	C	S	.	.			trans	-73.9	157.1	173.5	-61.7	-81.1	0	0	0	111	V39 G43 E44 R62 S85 A88	V39-Y41 HydrophobicContact CB-CE2 4.35Å; V39-Y41 HydrophobicContact CG1-CD2 4.48Å; V39-Y41 HydrophobicContact CG1-CE2 3.69Å; V39-Y41 HydrophobicContact CG2-CD2 4.24Å; V39-Y41 HydrophobicContact CG2-CE1 4.15Å; V39-Y41 HydrophobicContact CG2-CE2 3.69Å; Y41-G43 PolarHBondContact O-N 2.88Å; Y41-E44 PolarHBondContact O-N 2.87Å; Y41-E44 VanDerWaalsContact O-N 3.09Å; Y41-R62 VanDerWaalsContact CE2-NH1 3.32Å; Y41-R62 PolarHBondContact OH-NH1 3.45Å; Y41-S85 WeakPolarHBondContact CE1-O 3.4Å; Y41-A88 HydrophobicContact CD1-CB 3.64Å; Y41-A88 HydrophobicContact CE1-CB 3.85Å; Y41-A88 HydrophobicContact CG-CB 4.23Å
42	P	96.3	Very high	96.7	Very high	111 Å²	111	55.8 Å²	55.8	72%	0.721	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.3	123.9	175.2	-25.7	35.3	0	0	0	112	E44	P42-E44 VanDerWaalsContact C-N 3.28Å; P42-E44 PolarHBondContact O-N 3.43Å
43	G	96.4	Very high	97.2	Very high	92 Å²	92	53.3 Å²	53.3	95%	0.948	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	80	-1.6	179.6	0	0	0	0	0	115.7	Y41	Y41-G43 PolarHBondContact O-N 2.88Å
44	E	96.1	Very high	97.3	Very high	102 Å²	102	56.6 Å²	56.6	48%	0.477	32%	0.316	S	S	.	.			trans	-107	161.4	-179.6	-63.9	-174.2	-161.2	0	0	112.9	R40 Y41 P42 Q47	R40-E44 WeakPolarHBondContact CG-O 3.42Å; Y41-E44 PolarHBondContact O-N 2.87Å; Y41-E44 VanDerWaalsContact O-N 3.09Å; P42-E44 VanDerWaalsContact C-N 3.28Å; P42-E44 PolarHBondContact O-N 3.43Å; E44-Q47 PolarHBondContact OE2-NE2 2.87Å
45	G	96.6	Very high	97.2	Very high	51 Å²	51	55.9 Å²	55.9	53%	0.526	32%	0.316	S	S	.	.			trans	-72.1	168.9	170.6	0	0	0	0	0	113	Q47	G45-Q47 PolarHBondContact O-N 2.8Å
46	L	97.7	Very high	97.1	Very high	102 Å²	102	59 Å²	59	53%	0.534	35%	0.348	S	S	.	.			trans	-67	126.5	174.5	-168.1	71.7	0	0	0	110.1	Y38 R40 Y91	Y38-L46 HydrophobicContact CD1-CD1 4.43Å; Y38-L46 HydrophobicContact CD1-CD2 3.82Å; Y38-L46 HydrophobicContact CD1-CG 3.69Å; Y38-L46 HydrophobicContact CE1-CD2 4.37Å; Y38-L46 HydrophobicContact CG-CD1 4.4Å; Y38-L46 HydrophobicContact CG-CD2 4.11Å; Y38-L46 HydrophobicContact CG-CG 4.1Å; R40-L46 HydrophobicContact CB-CD1 4.2Å; L46-Y91 HydrophobicContact CD1-CD2 3.58Å; L46-Y91 HydrophobicContact CD1-CE2 3.94Å
47	Q	98.2	Very high	97.1	Very high	53 Å²	53	62.4 Å²	62.4	25%	0.248	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	142.4	-179.3	-65.3	175.2	25.1	0	0	111	Y38 V39 E44 G45 L49	Y38-Q47 CarbonylContact C-O 3.49Å; Y38-Q47 WeakPolarHBondContact CA-O 3.38Å; Y38-Q47 WeakPolarHBondContact CB-O 3.37Å; Y38-Q47 VanDerWaalsContact CD1-C 3.45Å; Y38-Q47 VanDerWaalsContact CD1-O 3.27Å; Y38-Q47 WeakPolarHBondContact CD1-O 3.37Å; V39-Q47 HydrophobicContact CG1-CB 4.14Å; V39-Q47 PolarHBondContact N-O 2.66Å; V39-Q47 PolarHBondContact O-N 2.97Å; E44-Q47 PolarHBondContact OE2-NE2 2.87Å; G45-Q47 PolarHBondContact O-N 2.8Å; Q47-L49 PolarHBondContact O-N 3.42Å
48	L	98.3	Very high	97	Very high	77 Å²	77	67.8 Å²	67.8	40%	0.403	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.8	120.2	170.3	-179.3	67.1	0	0	0	109.1	F36 Y38 K51	F36-L48 HydrophobicContact CB-CD1 4.36Å; F36-L48 HydrophobicContact CD1-CD1 4Å; Y38-L48 HydrophobicContact CD1-CB 4.38Å; Y38-L48 HydrophobicContact CD2-CD1 4.49Å; Y38-L48 HydrophobicContact CE1-CB 4.05Å; Y38-L48 HydrophobicContact CE1-CD1 4.23Å; Y38-L48 HydrophobicContact CE2-CD1 4.08Å; L48-K51 HydrophobicContact CD1-CB 4.46Å; L48-K51 HydrophobicContact CD2-CD 4.36Å
49	L	98.4	Very high	97	Very high	6 Å²	6	65 Å²	65	3%	0.031	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	-57.7	173.7	178.9	60.7	0	0	0	109.9	W37 V39 Q47 S61 R62 F64 L77 Y90	W37-L49 HydrophobicContact CB-CB 4.27Å; W37-L49 HydrophobicContact CB-CD2 4.33Å; W37-L49 WeakPolarHBondContact O-CA 3.26Å; W37-L49 WeakPolarHBondContact O-CB 3.34Å; W37-L49 PolarHBondContact O-N 3.3Å; V39-L49 HydrophobicContact CB-CB 4.36Å; V39-L49 HydrophobicContact CG1-CB 4.12Å; V39-L49 HydrophobicContact CG1-CD1 4.47Å; Q47-L49 PolarHBondContact O-N 3.42Å; L49-S61 WeakPolarHBondContact O-CB 3.43Å; L49-S61 PolarHBondContact O-OG 2.99Å; L49-R62 HydrophobicContact CD1-CB 4.33Å; L49-R62 HydrophobicContact CD1-CG 4.39Å; L49-F64 HydrophobicContact CD1-CD2 4.07Å; L49-F64 HydrophobicContact CD2-CB 4.07Å; L49-F64 HydrophobicContact CD2-CD2 4.09Å; L49-F64 HydrophobicContact CD2-CG 3.97Å; L49-L77 HydrophobicContact CD2-CD1 3.99Å; L49-L77 HydrophobicContact CD2-CD2 3.87Å; L49-Y90 HydrophobicContact CD2-CD1 3.98Å; L49-Y90 HydrophobicContact CD2-CE1 3.86Å
50	L	98.2	Very high	97	Very high	10 Å²	10	69.1 Å²	69.1	5%	0.052	41%	0.409	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.9	160.3	177.3	58.7	80.2	0	0	0	111.2	W37 A66 F75 L77	W37-L50 HydrophobicContact CB-CD1 4.08Å; W37-L50 HydrophobicContact CB-CG 4.12Å; W37-L50 HydrophobicContact CG-CD1 4.35Å; W37-L50 PolarHBondContact N-O 3.42Å; W37-L50 PolarHBondContact O-N 3.12Å; L50-A66 HydrophobicContact CD1-CB 3.88Å; L50-A66 HydrophobicContact CD2-CB 4.32Å; L50-F75 HydrophobicContact CD1-CE1 3.84Å; L50-F75 HydrophobicContact CD1-CE2 4.49Å; L50-F75 HydrophobicContact CD1-CZ 3.46Å; L50-F75 VanDerWaalsContact CD1-CZ 3.46Å; L50-L77 HydrophobicContact CD2-CD1 3.98Å
51	K	97.8	Very high	97	Very high	124 Å²	124	65.3 Å²	65.3	54%	0.539	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	144	174.2	67.9	179.9	-179	179.3	0	110.7	L35 F36 L48 I53	L35-K51 CarbonylContact O-C 3.55Å; L35-K51 VanDerWaalsContact O-CA 3.31Å; L35-K51 WeakPolarHBondContact O-CA 3.47Å; F36-K51 HydrophobicContact CD1-CB 3.51Å; F36-K51 HydrophobicContact CE1-CB 3.79Å; F36-K51 HydrophobicContact CE1-CD 4.15Å; F36-K51 HydrophobicContact CG-CB 4.42Å; L48-K51 HydrophobicContact CD1-CB 4.46Å; L48-K51 HydrophobicContact CD2-CD 4.36Å; K51-I53 HydrophobicContact CD-CD1 4.46Å
52	V	97.9	Very high	96.9	Very high	6 Å²	6	69.7 Å²	69.7	4%	0.036	42%	0.417	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	124.5	172.4	-175.1	0	0	0	0	108.8	L35 T54 Q57 G59 Y68 F75	L35-V52 PolarHBondContact N-O 2.8Å; L35-V52 PolarHBondContact O-N 3.45Å; V52-T54 WeakPolarHBondContact CG1-O 3.42Å; V52-Q57 HydrophobicContact CG1-CB 3.72Å; V52-G59 VanDerWaalsContact CG2-N 3.28Å; V52-Y68 HydrophobicContact CG1-CD1 4.07Å; V52-Y68 HydrophobicContact CG1-CG 4.43Å; V52-F75 HydrophobicContact CB-CE2 3.8Å; V52-F75 HydrophobicContact CB-CZ 3.91Å; V52-F75 HydrophobicContact CG2-CE2 3.65Å; V52-F75 HydrophobicContact CG2-CZ 3.69Å
53	I	95.2	Very high	96.9	Very high	79 Å²	79	67 Å²	67	41%	0.405	41%	0.409	S	S	.	.			trans	-100	-34.8	-173.8	-52.4	-54.2	0	0	0	110.3	N34 K51	N34-I53 HydrophobicContact CB-CD1 3.72Å; N34-I53 WeakPolarHBondContact OD1-CD1 3.44Å; N34-I53 WeakPolarHBondContact OD1-CG2 3.38Å; K51-I53 HydrophobicContact CD-CD1 4.46Å
54	T	94.3	Very high	97	Very high	74 Å²	74	62.7 Å²	62.7	45%	0.454	36%	0.364	S	S	.	.	S	Bend	trans	-102.4	125.7	-175.1	-52.4	0	0	0	0	110.9	V52 G56 Q57	V52-T54 WeakPolarHBondContact CG1-O 3.42Å; T54-G56 PolarHBondContact O-N 2.76Å; T54-Q57 HydrophobicContact CG2-CG 4.26Å; T54-Q57 WeakPolarHBondContact O-CB 3.19Å; T54-Q57 PolarHBondContact O-N 2.85Å; T54-Q57 VanDerWaalsContact O-N 3.14Å
55	A	93.3	Very high	97.1	Very high	35 Å²	35	61.2 Å²	61.2	29%	0.289	36%	0.357	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.5	138.5	172.5	0	0	0	0	0	111.5	Q57 Y68 K70	A55-Q57 VanDerWaalsContact C-N 3.28Å; A55-Q57 PolarHBondContact O-N 3.34Å; A55-Y68 HydrophobicContact CB-CD1 4.45Å; A55-Y68 HydrophobicContact CB-CD2 4.32Å; A55-Y68 HydrophobicContact CB-CE1 4.43Å; A55-Y68 HydrophobicContact CB-CE2 4.26Å; A55-Y68 HydrophobicContact CB-CG 4.43Å; A55-K70 HydrophobicContact CB-CB 3.9Å; A55-K70 HydrophobicContact CB-CD 4.2Å
56	G	95	Very high	97.2	Very high	65 Å²	65	58.8 Å²	58.8	67%	0.67	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	83.9	-8.4	-176.7	0	0	0	0	0	114.8	T54 Y68	T54-G56 PolarHBondContact O-N 2.76Å; G56-Y68 WeakPolarHBondContact CA-O 3.43Å; G56-Y68 PolarHBondContact N-O 3.3Å
57	Q	97.3	Very high	97.3	Very high	104 Å²	104	57 Å²	57	49%	0.486	33%	0.325	S	S	.	.			trans	-84.2	155.8	173.5	-67.5	-170.1	-22.7	0	0	112.4	V52 T54 A55 Y68	V52-Q57 HydrophobicContact CG1-CB 3.72Å; T54-Q57 HydrophobicContact CG2-CG 4.26Å; T54-Q57 WeakPolarHBondContact O-CB 3.19Å; T54-Q57 PolarHBondContact O-N 2.85Å; T54-Q57 VanDerWaalsContact O-N 3.14Å; A55-Q57 VanDerWaalsContact C-N 3.28Å; A55-Q57 PolarHBondContact O-N 3.34Å; Q57-Y68 PolarHBondContact O-N 2.86Å
58	K	97.9	Very high	97.2	Very high	114 Å²	114	54.4 Å²	54.4	50%	0.496	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	128.9	173.4	-172.4	174.9	75.4	160.7	0	109.7	E65 A66	K58-E65 HydrophobicContact CD-CB 4.31Å; K58-E65 IonicContact NZ-OE1 2.92Å; K58-E65 PolarHBondContact NZ-OE1 2.78Å; K58-E65 IonicContact NZ-OE2 2.79Å; K58-E65 PolarHBondContact NZ-OE2 2.83Å; K58-A66 WeakPolarHBondContact CA-O 3Å
59	G	97.9	Very high	97.2	Very high	10 Å²	10	53.9 Å²	53.9	10%	0.103	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	148	169.1	0	0	0	0	0	110.2	V52 E65 A66	V52-G59 VanDerWaalsContact CG2-N 3.28Å; G59-E65 CarbonylContact O-C 3.47Å; G59-E65 VanDerWaalsContact O-CA 3.28Å; G59-E65 WeakPolarHBondContact O-CA 3.38Å; G59-A66 PolarHBondContact N-O 2.02Å; G59-A66 PolarHBondContact O-N 2.94Å
60	S	98	Very high	96.9	Very high	87 Å²	87	57.9 Å²	57.9	61%	0.608	33%	0.328	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-142.5	137.7	176.4	60.9	0	0	0	0	111.4	F64	S60-F64 CarbonylContact C-O 3.58Å; S60-F64 WeakPolarHBondContact CA-O 3.33Å
61	S	98	Very high	96.7	Very high	36 Å²	36	66.3 Å²	66.3	25%	0.252	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-161.7	135.7	177.5	-177.9	0	0	0	0	110.9	L49 G63 F64	L49-S61 WeakPolarHBondContact O-CB 3.43Å; L49-S61 PolarHBondContact O-OG 2.99Å; S61-G63 PolarHBondContact O-N 3.09Å; S61-G63 VanDerWaalsContact O-N 3.09Å; S61-F64 PolarHBondContact N-O 2.92Å; S61-F64 WeakPolarHBondContact O-CA 3.47Å; S61-F64 WeakPolarHBondContact O-CB 3.07Å; S61-F64 PolarHBondContact O-N 3.47Å
62	R	96.2	Very high	96.6	Very high	126 Å²	126	62.8 Å²	62.8	48%	0.475	36%	0.361	S	S	.	.	T	Hydrogen-bonded Turn	trans	51.2	34.1	178.5	-53.1	-176.9	-169.2	-177.4	8.1	114	Y41 L49 F64 K79	Y41-R62 VanDerWaalsContact CE2-NH1 3.32Å; Y41-R62 PolarHBondContact OH-NH1 3.45Å; L49-R62 HydrophobicContact CD1-CB 4.33Å; L49-R62 HydrophobicContact CD1-CG 4.39Å; R62-F64 HydrophobicContact CB-CD2 4.36Å; R62-F64 PolarHBondContact O-N 2.82Å; R62-K79 PolarHBondContact O-NZ 2.83Å; R62-K79 VanDerWaalsContact O-NZ 3.16Å
63	G	96.9	Very high	96.4	Very high	54 Å²	54	65.6 Å²	65.6	56%	0.557	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	77.1	-1.2	-176.7	0	0	0	0	0	115.2	S61	S61-G63 PolarHBondContact O-N 3.09Å; S61-G63 VanDerWaalsContact O-N 3.09Å
64	F	98.4	Very high	96.6	Very high	1 Å²	1	62.2 Å²	62.2	0%	0.004	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	147.5	168.4	-66	-88.4	0	0	0	110.7	L19 L49 S60 S61 R62 L77 Q78 K79 D86 Y90	L19-F64 HydrophobicContact CD2-CE1 4.43Å; L49-F64 HydrophobicContact CD1-CD2 4.07Å; L49-F64 HydrophobicContact CD2-CB 4.07Å; L49-F64 HydrophobicContact CD2-CD2 4.09Å; L49-F64 HydrophobicContact CD2-CG 3.97Å; S60-F64 CarbonylContact C-O 3.58Å; S60-F64 WeakPolarHBondContact CA-O 3.33Å; S61-F64 PolarHBondContact N-O 2.92Å; S61-F64 WeakPolarHBondContact O-CA 3.47Å; S61-F64 WeakPolarHBondContact O-CB 3.07Å; S61-F64 PolarHBondContact O-N 3.47Å; R62-F64 HydrophobicContact CB-CD2 4.36Å; R62-F64 PolarHBondContact O-N 2.82Å; F64-L77 HydrophobicContact CB-CD1 3.84Å; F64-L77 HydrophobicContact CB-CG 4.36Å; F64-L77 HydrophobicContact CD1-CD1 4.21Å; F64-L77 HydrophobicContact CD1-CD2 3.78Å; F64-L77 HydrophobicContact CD1-CG 3.8Å; F64-L77 HydrophobicContact CE1-CD2 4.23Å; F64-L77 HydrophobicContact CG-CD1 4.38Å; F64-L77 HydrophobicContact CG-CD2 4.46Å; F64-L77 HydrophobicContact CG-CG 4.45Å; F64-Q78 CarbonylContact C-O 3.6Å; F64-Q78 VanDerWaalsContact CA-O 3.26Å; F64-Q78 WeakPolarHBondContact CA-O 3.28Å; F64-K79 HydrophobicContact CD1-CB 3.71Å; F64-K79 HydrophobicContact CD1-CD 3.95Å; F64-K79 HydrophobicContact CD1-CG 4.41Å; F64-K79 HydrophobicContact CD2-CD 4.03Å; F64-K79 HydrophobicContact CE1-CB 3.77Å; F64-K79 HydrophobicContact CE1-CD 3.6Å; F64-K79 HydrophobicContact CE1-CG 4.33Å; F64-K79 HydrophobicContact CE2-CD 3.68Å; F64-K79 HydrophobicContact CG-CB 4.4Å; F64-K79 HydrophobicContact CG-CD 4.14Å; F64-K79 HydrophobicContact CZ-CB 4.49Å; F64-K79 HydrophobicContact CZ-CD 3.44Å; F64-K79 VanDerWaalsContact CZ-CD 3.44Å; F64-D86 WeakPolarHBondContact CE2-OD1 3.46Å; F64-D86 HydrophobicContact CZ-CB 4.02Å; F64-Y90 AromaticContact CE1-CE1 3.96Å; F64-Y90 HydrophobicContact CE1-CE1 3.96Å; F64-Y90 HydrophobicContact CE2-CE1 4.22Å; F64-Y90 AromaticContact CZ-CE1 3.81Å; F64-Y90 HydrophobicContact CZ-CE1 3.81Å; F64-Y90 AromaticContact CZ-CZ 3.64Å; F64-Y90 WeakPolarHBondContact CZ-OH 3.32Å
65	E	98.5	Very high	96.7	Very high	72 Å²	72	58.7 Å²	58.7	34%	0.336	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	147.4	175.8	-56.6	-167.1	146.5	0	0	110.7	K58 G59 L77 Q78	K58-E65 HydrophobicContact CD-CB 4.31Å; K58-E65 IonicContact NZ-OE1 2.92Å; K58-E65 PolarHBondContact NZ-OE1 2.78Å; K58-E65 IonicContact NZ-OE2 2.79Å; K58-E65 PolarHBondContact NZ-OE2 2.83Å; G59-E65 CarbonylContact O-C 3.47Å; G59-E65 VanDerWaalsContact O-CA 3.28Å; G59-E65 WeakPolarHBondContact O-CA 3.38Å; E65-L77 CarbonylContact O-C 3.57Å; E65-Q78 PolarHBondContact N-O 2.94Å; E65-Q78 PolarHBondContact O-N 2.83Å
66	A	98.6	Very high	97	Very high	0 Å²	0	59.5 Å²	59.5	0%	0	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.5	131.8	168.7	0	0	0	0	0	110.1	L50 K58 G59 F75 H76 L77	L50-A66 HydrophobicContact CD1-CB 3.88Å; L50-A66 HydrophobicContact CD2-CB 4.32Å; K58-A66 WeakPolarHBondContact CA-O 3Å; G59-A66 PolarHBondContact N-O 2.02Å; G59-A66 PolarHBondContact O-N 2.94Å; A66-F75 HydrophobicContact CB-CD1 4.44Å; A66-F75 HydrophobicContact CB-CD2 3.88Å; A66-F75 HydrophobicContact CB-CE1 4.15Å; A66-F75 HydrophobicContact CB-CE2 3.5Å; A66-F75 VanDerWaalsContact CB-CE2 3.5Å; A66-F75 HydrophobicContact CB-CG 4.33Å; A66-F75 HydrophobicContact CB-CZ 3.66Å; A66-H76 WeakPolarHBondContact CA-O 3.4Å; A66-H76 WeakPolarHBondContact CB-O 2.92Å; A66-L77 HydrophobicContact CB-CD1 4.37Å
67	T	98.3	Very high	97.2	Very high	63 Å²	63	56.5 Å²	56.5	39%	0.387	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	128.5	177.4	-59.1	0	0	0	0	109.4	N69	T67-N69 PolarHBondContact O-N 2.83Å
68	Y	97.5	Very high	97.2	Very high	0 Å²	0	55.5 Å²	55.5	0%	0	30%	0.302	C	S	.	.			trans	-74.5	94.7	171.7	-173.3	163.4	0	0	0	109.1	Y25 Y32 P33 L35 V52 A55 G56 Q57 K70	Y25-Y68 HydrophobicContact CE1-CE2 4.05Å; Y25-Y68 AromaticContact CZ-CE2 3.94Å; Y25-Y68 WeakPolarHBondContact OH-CE2 3.48Å; Y32-Y68 WeakPolarHBondContact CB-OH 3.21Å; P33-Y68 WeakPolarHBondContact CD-OH 3.23Å; P33-Y68 WeakPolarHBondContact CG-OH 3.27Å; P33-Y68 WeakPolarHBondContact O-CE1 3.45Å; P33-Y68 PolarHBondContact O-OH 2.87Å; L35-Y68 HydrophobicContact CD1-CD1 3.75Å; L35-Y68 HydrophobicContact CD1-CD2 3.41Å; L35-Y68 VanDerWaalsContact CD1-CD2 3.41Å; L35-Y68 HydrophobicContact CD1-CE1 3.7Å; L35-Y68 HydrophobicContact CD1-CE2 3.4Å; L35-Y68 HydrophobicContact CD1-CG 3.58Å; L35-Y68 VanDerWaalsContact CD1-CZ 3.49Å; L35-Y68 HydrophobicContact CG-CE1 4.26Å; V52-Y68 HydrophobicContact CG1-CD1 4.07Å; V52-Y68 HydrophobicContact CG1-CG 4.43Å; A55-Y68 HydrophobicContact CB-CD1 4.45Å; A55-Y68 HydrophobicContact CB-CD2 4.32Å; A55-Y68 HydrophobicContact CB-CE1 4.43Å; A55-Y68 HydrophobicContact CB-CE2 4.26Å; A55-Y68 HydrophobicContact CB-CG 4.43Å; G56-Y68 WeakPolarHBondContact CA-O 3.43Å; G56-Y68 PolarHBondContact N-O 3.3Å; Q57-Y68 PolarHBondContact O-N 2.86Å; Y68-K70 HydrophobicContact CE2-CB 4.38Å
69	N	96.6	Very high	97.2	Very high	65 Å²	65	50.9 Å²	50.9	35%	0.348	28%	0.282	S	S	.	.	B	Isolated β-bridge	trans	-94.5	101.7	173.7	-170.4	-24.4	0	0	0	110.9	T67 E71 A72 T73 S74	T67-N69 PolarHBondContact O-N 2.83Å; N69-E71 PolarHBondContact OD1-N 2.94Å; N69-E71 VanDerWaalsContact OD1-N 3.07Å; N69-A72 HydrophobicContact CB-CB 4.33Å; N69-A72 PolarHBondContact OD1-N 3.05Å; N69-T73 WeakPolarHBondContact O-CA 3.28Å; N69-T73 PolarHBondContact O-N 2.95Å; N69-T73 VanDerWaalsContact O-N 3.14Å; N69-S74 PolarHBondContact N-O 2.79Å; N69-S74 PolarHBondContact O-N 3.14Å
70	K	93.4	Very high	97.2	Very high	90 Å²	90	54.6 Å²	54.6	39%	0.391	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.3	-39.6	178.1	173	-172.9	152.6	-171.9	0	112.8	Y32 A55 Y68 T73	Y32-K70 HydrophobicContact CD1-CD 3.91Å; Y32-K70 HydrophobicContact CD1-CG 4.13Å; Y32-K70 HydrophobicContact CD2-CD 4.43Å; Y32-K70 HydrophobicContact CE1-CD 3.46Å; Y32-K70 VanDerWaalsContact CE1-CD 3.46Å; Y32-K70 HydrophobicContact CE1-CG 3.93Å; Y32-K70 HydrophobicContact CE2-CD 3.99Å; Y32-K70 HydrophobicContact CG-CD 4.43Å; Y32-K70 WeakPolarHBondContact OH-CE 3.43Å; Y32-K70 PolarHBondContact OH-NZ 2.92Å; A55-K70 HydrophobicContact CB-CB 3.9Å; A55-K70 HydrophobicContact CB-CD 4.2Å; Y68-K70 HydrophobicContact CE2-CB 4.38Å; K70-T73 PolarHBondContact O-N 2.87Å
71	E	93.1	Very high	97.2	Very high	188 Å²	188	53 Å²	53	88%	0.879	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.9	-41.7	-175.7	-66.3	178.9	179.9	0	0	111.5	N69 T73	N69-E71 PolarHBondContact OD1-N 2.94Å; N69-E71 VanDerWaalsContact OD1-N 3.07Å; E71-T73 VanDerWaalsContact C-N 3.29Å
72	A	95.6	Very high	97.2	Very high	50 Å²	50	51.9 Å²	51.9	41%	0.413	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.4	1.4	175.9	0	0	0	0	0	113.5	N69 S74	N69-A72 HydrophobicContact CB-CB 4.33Å; N69-A72 PolarHBondContact OD1-N 3.05Å; A72-S74 VanDerWaalsContact C-N 3.25Å; A72-S74 PolarHBondContact O-N 2.87Å
73	T	95.4	Very high	97.2	Very high	65 Å²	65	51.3 Å²	51.3	40%	0.399	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	48.3	46.6	-174.2	55.1	0	0	0	0	112.8	T24 Y25 N69 K70 E71	T24-T73 CarbonylContact C-O 3.55Å; T24-T73 WeakPolarHBondContact CA-O 2.98Å; T24-T73 WeakPolarHBondContact CB-O 3.39Å; Y25-T73 WeakPolarHBondContact CD1-O 3.45Å; Y25-T73 PolarHBondContact N-O 3.29Å; Y25-T73 WeakPolarHBondContact O-CB 3.2Å; N69-T73 WeakPolarHBondContact O-CA 3.28Å; N69-T73 PolarHBondContact O-N 2.95Å; N69-T73 VanDerWaalsContact O-N 3.14Å; K70-T73 PolarHBondContact O-N 2.87Å; E71-T73 VanDerWaalsContact C-N 3.29Å
74	S	97.5	Very high	97.2	Very high	8 Å²	8	55.8 Å²	55.8	6%	0.056	30%	0.301	C	S	.	.	B	Isolated β-bridge	trans	-134.5	153.3	-169	77.9	0	0	0	0	115.3	C23 N69 A72 H76	C23-S74 WeakPolarHBondContact O-CA 3.44Å; N69-S74 PolarHBondContact N-O 2.79Å; N69-S74 PolarHBondContact O-N 3.14Å; A72-S74 VanDerWaalsContact C-N 3.25Å; A72-S74 PolarHBondContact O-N 2.87Å; S74-H76 WeakPolarHBondContact CB-CE1 3.45Å
75	F	98.1	Very high	97	Very high	0 Å²	0	59.4 Å²	59.4	0%	0	33%	0.327	C	S	.	.			trans	-147	53.7	180	-164.4	-129.7	0	0	0	111.4	C23 L35 W37 L50 V52 A66 L77	C23-F75 PolarHBondContact O-N 3.41Å; L35-F75 HydrophobicContact CB-CB 4.45Å; L35-F75 HydrophobicContact CB-CD1 3.58Å; L35-F75 HydrophobicContact CB-CD2 4.15Å; L35-F75 HydrophobicContact CB-CE1 3.69Å; L35-F75 HydrophobicContact CB-CE2 4.29Å; L35-F75 HydrophobicContact CB-CG 3.81Å; L35-F75 HydrophobicContact CB-CZ 4.06Å; L35-F75 HydrophobicContact CD1-CB 3.94Å; L35-F75 HydrophobicContact CD1-CD2 4.11Å; L35-F75 HydrophobicContact CD1-CG 3.96Å; L35-F75 HydrophobicContact CD2-CB 4.43Å; L35-F75 HydrophobicContact CG-CD1 4.48Å; L35-F75 HydrophobicContact CG-CG 4.37Å; W37-F75 AromaticContact CD1-CD1 3.44Å; W37-F75 VanDerWaalsContact CD1-CD1 3.44Å; W37-F75 AromaticContact CD1-CE1 3.24Å; W37-F75 HydrophobicContact CG-CE1 4.27Å; W37-F75 WeakPolarHBondContact CZ2-O 3.47Å; W37-F75 AromaticContact NE1-CD1 3.36Å; W37-F75 AromaticContact NE1-CE1 3.7Å; W37-F75 PolarHBondContact NE1-O 3.27Å; L50-F75 HydrophobicContact CD1-CE1 3.84Å; L50-F75 HydrophobicContact CD1-CE2 4.49Å; L50-F75 HydrophobicContact CD1-CZ 3.46Å; L50-F75 VanDerWaalsContact CD1-CZ 3.46Å; V52-F75 HydrophobicContact CB-CE2 3.8Å; V52-F75 HydrophobicContact CB-CZ 3.91Å; V52-F75 HydrophobicContact CG2-CE2 3.65Å; V52-F75 HydrophobicContact CG2-CZ 3.69Å; A66-F75 HydrophobicContact CB-CD1 4.44Å; A66-F75 HydrophobicContact CB-CD2 3.88Å; A66-F75 HydrophobicContact CB-CE1 4.15Å; A66-F75 HydrophobicContact CB-CE2 3.5Å; A66-F75 VanDerWaalsContact CB-CE2 3.5Å; A66-F75 HydrophobicContact CB-CG 4.33Å; A66-F75 HydrophobicContact CB-CZ 3.66Å; F75-L77 PolarHBondContact O-N 2.8Å
76	H	98.5	Very high	97	Very high	52 Å²	52	56.8 Å²	56.8	24%	0.241	32%	0.315	C	S	.	.			trans	-63.9	133.2	-174.4	-53.5	-26	0	0	0	111.5	I20 I21 C23 A66 S74	I20-H76 HydrophobicContact CG2-CB 4.2Å; I21-H76 WeakPolarHBondContact O-CA 3.5Å; C23-H76 PolarHBondContact N-ND1 2.88Å; C23-H76 VanDerWaalsContact N-ND1 3.12Å; C23-H76 PolarHBondContact O-CE1 3.22Å; C23-H76 VanDerWaalsContact O-CE1 3.3Å; C23-H76 PolarHBondContact O-ND1 2.98Å; A66-H76 WeakPolarHBondContact CA-O 3.4Å; A66-H76 WeakPolarHBondContact CB-O 2.92Å; S74-H76 WeakPolarHBondContact CB-CE1 3.45Å
77	L	98.7	Very high	96.9	Very high	2 Å²	2	60.6 Å²	60.6	1%	0.01	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	131	173.2	-166.5	65.3	0	0	0	109.1	I20 I21 W37 L49 L50 F64 E65 A66 F75 Y90	I20-L77 CarbonylContact C-O 3.57Å; I20-L77 VanDerWaalsContact CA-O 3.31Å; I20-L77 WeakPolarHBondContact CA-O 3.22Å; I21-L77 HydrophobicContact CB-CB 4.24Å; I21-L77 HydrophobicContact CD1-CD2 4.38Å; I21-L77 PolarHBondContact N-O 2.96Å; I21-L77 PolarHBondContact O-N 3Å; W37-L77 HydrophobicContact CB-CD1 4.26Å; W37-L77 HydrophobicContact CD2-CB 3.9Å; W37-L77 HydrophobicContact CD2-CD1 4.15Å; W37-L77 HydrophobicContact CD2-CD2 4.04Å; W37-L77 HydrophobicContact CD2-CG 4.26Å; W37-L77 HydrophobicContact CE3-CB 4.36Å; W37-L77 HydrophobicContact CE3-CD2 4Å; W37-L77 HydrophobicContact CG-CB 4.4Å; W37-L77 HydrophobicContact CG-CD1 3.81Å; W37-L77 HydrophobicContact CG-CD2 4.39Å; W37-L77 HydrophobicContact CG-CG 4.43Å; W37-L77 HydrophobicContact CH2-CB 4.08Å; W37-L77 HydrophobicContact CZ2-CB 3.6Å; W37-L77 HydrophobicContact CZ3-CB 4.45Å; W37-L77 HydrophobicContact CZ3-CD2 4.41Å; L49-L77 HydrophobicContact CD2-CD1 3.99Å; L49-L77 HydrophobicContact CD2-CD2 3.87Å; L50-L77 HydrophobicContact CD2-CD1 3.98Å; F64-L77 HydrophobicContact CB-CD1 3.84Å; F64-L77 HydrophobicContact CB-CG 4.36Å; F64-L77 HydrophobicContact CD1-CD1 4.21Å; F64-L77 HydrophobicContact CD1-CD2 3.78Å; F64-L77 HydrophobicContact CD1-CG 3.8Å; F64-L77 HydrophobicContact CE1-CD2 4.23Å; F64-L77 HydrophobicContact CG-CD1 4.38Å; F64-L77 HydrophobicContact CG-CD2 4.46Å; F64-L77 HydrophobicContact CG-CG 4.45Å; E65-L77 CarbonylContact O-C 3.57Å; A66-L77 HydrophobicContact CB-CD1 4.37Å; F75-L77 PolarHBondContact O-N 2.8Å; L77-Y90 HydrophobicContact CD2-CD1 3.47Å; L77-Y90 VanDerWaalsContact CD2-CD1 3.47Å; L77-Y90 HydrophobicContact CD2-CE1 3.98Å; L77-Y90 HydrophobicContact CD2-CG 4.12Å
78	Q	98.4	Very high	96.9	Very high	82 Å²	82	59 Å²	59	38%	0.383	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	144.7	-177.3	-57.1	-175.8	-15	0	0	110	L19 I20 F64 E65	L19-Q78 WeakPolarHBondContact O-CA 3.24Å; I20-Q78 HydrophobicContact CG1-CG 4.19Å; I20-Q78 HydrophobicContact CG2-CG 4.35Å; F64-Q78 CarbonylContact C-O 3.6Å; F64-Q78 VanDerWaalsContact CA-O 3.26Å; F64-Q78 WeakPolarHBondContact CA-O 3.28Å; E65-Q78 PolarHBondContact N-O 2.94Å; E65-Q78 PolarHBondContact O-N 2.83Å
79	K	98.2	Very high	96.9	Very high	18 Å²	18	61.8 Å²	61.8	8%	0.078	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	127.5	168.1	-178.5	157	-176.2	165.7	0	109	S18 L19 R62 F64 S81 V82 D86	S18-K79 CarbonylContact C-O 3.55Å; S18-K79 VanDerWaalsContact CA-O 3.27Å; S18-K79 WeakPolarHBondContact CA-O 3.44Å; L19-K79 PolarHBondContact N-O 2.92Å; L19-K79 PolarHBondContact O-N 3.24Å; R62-K79 PolarHBondContact O-NZ 2.83Å; R62-K79 VanDerWaalsContact O-NZ 3.16Å; F64-K79 HydrophobicContact CD1-CB 3.71Å; F64-K79 HydrophobicContact CD1-CD 3.95Å; F64-K79 HydrophobicContact CD1-CG 4.41Å; F64-K79 HydrophobicContact CD2-CD 4.03Å; F64-K79 HydrophobicContact CE1-CB 3.77Å; F64-K79 HydrophobicContact CE1-CD 3.6Å; F64-K79 HydrophobicContact CE1-CG 4.33Å; F64-K79 HydrophobicContact CE2-CD 3.68Å; F64-K79 HydrophobicContact CG-CB 4.4Å; F64-K79 HydrophobicContact CG-CD 4.14Å; F64-K79 HydrophobicContact CZ-CB 4.49Å; F64-K79 HydrophobicContact CZ-CD 3.44Å; F64-K79 VanDerWaalsContact CZ-CD 3.44Å; K79-S81 VanDerWaalsContact CE-O 3.26Å; K79-S81 WeakPolarHBondContact CE-O 3.42Å; K79-V82 HydrophobicContact CB-CG1 4.42Å; K79-V82 HydrophobicContact CG-CG1 4.38Å; K79-D86 WeakPolarHBondContact CD-OD2 3.18Å; K79-D86 WeakPolarHBondContact CE-OD2 3.5Å; K79-D86 IonicContact NZ-OD1 2.67Å; K79-D86 PolarHBondContact NZ-OD1 2.92Å; K79-D86 IonicContact NZ-OD2 2.77Å; K79-D86 PolarHBondContact NZ-OD2 2.87Å
80	A	97.7	Very high	97	Very high	87 Å²	87	59.8 Å²	59.8	72%	0.719	34%	0.339	S	S	*	.	S	Bend	trans	-69.8	-34.6	-174	0	0	0	0	0	113.1	K17 S18	K17-A80 CarbonylContact C-O 3.58Å; S18-A80 WeakPolarHBondContact CA-O 3.48Å; S18-A80 PolarHBondContact N-O 2.87Å
81	S	97.3	Very high	97.2	Very high	55 Å²	55	59.4 Å²	59.4	39%	0.385	34%	0.336	S	S	.	.	S	Bend	trans	-143.6	102.9	-178.3	175.9	0	0	0	0	109.2	S16 K79	S16-S81 WeakPolarHBondContact CA-OG 3.23Å; K79-S81 VanDerWaalsContact CE-O 3.26Å; K79-S81 WeakPolarHBondContact CE-O 3.42Å
82	V	97.5	Very high	97.4	Very high	11 Å²	11	51 Å²	51	7%	0.067	30%	0.298	C	S	.	.			trans	-73.3	149.3	176.3	-64.1	0	0	0	0	112.4	V13 S14 S16 K17 L19 K79 D86	V13-V82 HydrophobicContact CB-CG2 4.35Å; V13-V82 HydrophobicContact CG1-CG2 3.82Å; S14-V82 VanDerWaalsContact O-CG2 3.23Å; S14-V82 WeakPolarHBondContact O-CG2 3.48Å; S16-V82 PolarHBondContact N-O 3.11Å; K17-V82 VanDerWaalsContact O-CG2 3.3Å; K17-V82 WeakPolarHBondContact O-CG2 3.31Å; K17-V82 PolarHBondContact O-N 2.83Å; L19-V82 HydrophobicContact CB-CG1 3.46Å; L19-V82 VanDerWaalsContact CB-CG1 3.46Å; L19-V82 HydrophobicContact CD2-CG1 4.05Å; L19-V82 HydrophobicContact CG-CG1 4.4Å; K79-V82 HydrophobicContact CB-CG1 4.42Å; K79-V82 HydrophobicContact CG-CG1 4.38Å; V82-D86 WeakPolarHBondContact CA-OD2 3.19Å
83	Q	97.4	Very high	97.5	Very high	114 Å²	114	50.2 Å²	50.2	53%	0.533	29%	0.291	S	S	.	.			trans	-124.9	157.4	175.9	-60.9	176.8	4.4	0	0	109.4	S85 D86	Q83-S85 PolarHBondContact O-N 2.87Å; Q83-S85 VanDerWaalsContact O-N 3.11Å; Q83-D86 PolarHBondContact N-OD2 2.73Å; Q83-D86 VanDerWaalsContact O-CB 3.22Å; Q83-D86 WeakPolarHBondContact O-CB 3.21Å; Q83-D86 PolarHBondContact O-N 2.69Å
84	E	95.7	Very high	97.5	Very high	149 Å²	149	48.9 Å²	48.9	70%	0.696	28%	0.282	S	S	*	.	G	3₁₀ helix	trans	-51	-37.2	175.5	-173.3	176.1	-171.6	0	0	113.1	E15 D86 S87	E15-E84 WeakPolarHBondContact OE1-CB 3.46Å; E15-E84 PolarHBondContact OE1-N 2.82Å; E84-D86 PolarHBondContact O-N 3.07Å; E84-D86 VanDerWaalsContact O-N 3.09Å; E84-S87 VanDerWaalsContact O-CB 3.24Å; E84-S87 WeakPolarHBondContact O-CB 3.49Å; E84-S87 PolarHBondContact O-N 2.97Å; E84-S87 PolarHBondContact O-OG 2.72Å
85	S	95.9	Very high	97.3	Very high	77 Å²	77	53.6 Å²	53.6	54%	0.538	32%	0.315	S	S	.	.	G	3₁₀ helix	trans	-63.4	-12.7	177.1	62.3	0	0	0	0	114.5	Y41 Q83	Y41-S85 WeakPolarHBondContact CE1-O 3.4Å; Q83-S85 PolarHBondContact O-N 2.87Å; Q83-S85 VanDerWaalsContact O-N 3.11Å
86	D	97.5	Very high	97.2	Very high	16 Å²	16	56.3 Å²	56.3	9%	0.086	33%	0.33	C	S	.	.	G	3₁₀ helix	trans	-82.2	-1.7	173.7	-62.6	-40.5	0	0	0	112.9	F64 K79 V82 Q83 E84 A88 Y90	F64-D86 WeakPolarHBondContact CE2-OD1 3.46Å; F64-D86 HydrophobicContact CZ-CB 4.02Å; K79-D86 WeakPolarHBondContact CD-OD2 3.18Å; K79-D86 WeakPolarHBondContact CE-OD2 3.5Å; K79-D86 IonicContact NZ-OD1 2.67Å; K79-D86 PolarHBondContact NZ-OD1 2.92Å; K79-D86 IonicContact NZ-OD2 2.77Å; K79-D86 PolarHBondContact NZ-OD2 2.87Å; V82-D86 WeakPolarHBondContact CA-OD2 3.19Å; Q83-D86 PolarHBondContact N-OD2 2.73Å; Q83-D86 VanDerWaalsContact O-CB 3.22Å; Q83-D86 WeakPolarHBondContact O-CB 3.21Å; Q83-D86 PolarHBondContact O-N 2.69Å; E84-D86 PolarHBondContact O-N 3.07Å; E84-D86 VanDerWaalsContact O-N 3.09Å; D86-A88 PolarHBondContact O-N 2.96Å; D86-Y90 WeakPolarHBondContact O-CE2 3.11Å; D86-Y90 PolarHBondContact O-OH 3.37Å
87	S	97.4	Very high	97.1	Very high	80 Å²	80	56.5 Å²	56.5	56%	0.559	34%	0.335	S	S	*	.			trans	-67.9	100.1	177.6	-59.5	0	0	0	0	110.5	E84	E84-S87 VanDerWaalsContact O-CB 3.24Å; E84-S87 WeakPolarHBondContact O-CB 3.49Å; E84-S87 PolarHBondContact O-N 2.97Å; E84-S87 PolarHBondContact O-OG 2.72Å
88	A	97.7	Very high	97.1	Very high	29 Å²	29	59.6 Å²	59.6	24%	0.24	35%	0.353	C	S	.	.	S	Bend	trans	-155.8	173	-176.5	0	0	0	0	0	111.6	V39 Y41 D86 Y90	V39-A88 HydrophobicContact CG2-CB 3.56Å; Y41-A88 HydrophobicContact CD1-CB 3.64Å; Y41-A88 HydrophobicContact CE1-CB 3.85Å; Y41-A88 HydrophobicContact CG-CB 4.23Å; D86-A88 PolarHBondContact O-N 2.96Å; A88-Y90 HydrophobicContact CB-CD2 4.49Å; A88-Y90 HydrophobicContact CB-CE2 3.84Å; A88-Y90 WeakPolarHBondContact O-CD2 3.26Å
89	V	97.7	Very high	97	Very high	60 Å²	60	58.2 Å²	58.2	36%	0.364	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93	128.2	166.7	-171.9	0	0	0	0	109	V39 R40 Y91	V39-V89 CarbonylContact C-O 3.52Å; V39-V89 WeakPolarHBondContact CA-O 3.26Å; R40-V89 PolarHBondContact N-O 2.77Å; R40-V89 PolarHBondContact O-N 2.99Å; V89-Y91 HydrophobicContact CB-CE2 4.01Å; V89-Y91 HydrophobicContact CG1-CD2 4.18Å; V89-Y91 HydrophobicContact CG1-CE1 4.07Å; V89-Y91 HydrophobicContact CG1-CE2 3.48Å; V89-Y91 VanDerWaalsContact CG1-CE2 3.48Å; V89-Y91 VanDerWaalsContact CG1-CZ 3.42Å; V89-Y91 WeakPolarHBondContact CG1-OH 3.29Å
90	Y	98.2	Very high	96.9	Very high	22 Å²	22	60.8 Å²	60.8	9%	0.086	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	136.3	178.8	-65.1	-94.9	0	0	0	109.6	Q6 I21 Y38 V39 L49 F64 L77 D86 A88	Q6-Y90 PolarHBondContact OE1-O 2.9Å; I21-Y90 HydrophobicContact CD1-CD2 3.91Å; I21-Y90 HydrophobicContact CD1-CG 3.96Å; Y38-Y90 CarbonylContact O-C 3.5Å; Y38-Y90 WeakPolarHBondContact O-CA 3.35Å; V39-Y90 HydrophobicContact CB-CD1 4.11Å; V39-Y90 HydrophobicContact CB-CE1 4.03Å; V39-Y90 HydrophobicContact CG2-CD1 3.98Å; V39-Y90 HydrophobicContact CG2-CE1 3.59Å; V39-Y90 HydrophobicContact CG2-CE2 4.49Å; L49-Y90 HydrophobicContact CD2-CD1 3.98Å; L49-Y90 HydrophobicContact CD2-CE1 3.86Å; F64-Y90 AromaticContact CE1-CE1 3.96Å; F64-Y90 HydrophobicContact CE1-CE1 3.96Å; F64-Y90 HydrophobicContact CE2-CE1 4.22Å; F64-Y90 AromaticContact CZ-CE1 3.81Å; F64-Y90 HydrophobicContact CZ-CE1 3.81Å; F64-Y90 AromaticContact CZ-CZ 3.64Å; F64-Y90 WeakPolarHBondContact CZ-OH 3.32Å; L77-Y90 HydrophobicContact CD2-CD1 3.47Å; L77-Y90 VanDerWaalsContact CD2-CD1 3.47Å; L77-Y90 HydrophobicContact CD2-CE1 3.98Å; L77-Y90 HydrophobicContact CD2-CG 4.12Å; D86-Y90 WeakPolarHBondContact O-CE2 3.11Å; D86-Y90 PolarHBondContact O-OH 3.37Å; A88-Y90 HydrophobicContact CB-CD2 4.49Å; A88-Y90 HydrophobicContact CB-CE2 3.84Å; A88-Y90 WeakPolarHBondContact O-CD2 3.26Å
91	Y	98.1	Very high	96.9	Very high	82 Å²	82	59 Å²	59	32%	0.322	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	123.2	-179.4	-64	-83.9	0	0	0	110.2	W37 Y38 R40 L46 V89	W37-Y91 WeakPolarHBondContact CA-O 3.36Å; W37-Y91 VanDerWaalsContact CE3-C 3.48Å; Y38-Y91 PolarHBondContact N-O 3.5Å; Y38-Y91 PolarHBondContact O-N 3.01Å; R40-Y91 HydrophobicContact CB-CE2 4.25Å; L46-Y91 HydrophobicContact CD1-CD2 3.58Å; L46-Y91 HydrophobicContact CD1-CE2 3.94Å; V89-Y91 HydrophobicContact CB-CE2 4.01Å; V89-Y91 HydrophobicContact CG1-CD2 4.18Å; V89-Y91 HydrophobicContact CG1-CE1 4.07Å; V89-Y91 HydrophobicContact CG1-CE2 3.48Å; V89-Y91 VanDerWaalsContact CG1-CE2 3.48Å; V89-Y91 VanDerWaalsContact CG1-CZ 3.42Å; V89-Y91 WeakPolarHBondContact CG1-OH 3.29Å
92	C	98.1	Very high	96.8	Very high	12 Å²	12	59.3 Å²	59.3	8%	0.081	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	136.9	168.5	-165.1	0	0	0	0	110.2	V4 C23 W37	V4-C92 HydrophobicContact CG1-CB 3.8Å; C23-C92 HydrophobicContact CB-CB 3.59Å; C23-C92 WeakPolarHBondContact CB-SG 3.33Å; C23-C92 WeakPolarHBondContact SG-CB 3.08Å; C23-C92 CovalentContact SG-SG 2.02Å; C23-C92 PolarHBondContact SG-SG 3.47Å; W37-C92 HydrophobicContact CD2-CB 4.21Å; W37-C92 HydrophobicContact CE3-CB 4.09Å; W37-C92 HydrophobicContact CH2-CB 3.68Å; W37-C92 HydrophobicContact CZ2-CB 3.78Å; W37-C92 HydrophobicContact CZ3-CB 3.83Å
93	A	97.5	Very high	96.8	Very high	33 Å²	33	63 Å²	63	27%	0.273	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	156.2	-179.6	0	0	0	0	0	111.7	F36	F36-A93 HydrophobicContact CB-CB 4.36Å; F36-A93 PolarHBondContact N-O 2.71Å; F36-A93 PolarHBondContact O-N 3.14Å
94	L	95.3	Very high	96.7	Very high	38 Å²	38	58.8 Å²	58.8	20%	0.199	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	154	173.1	70.6	82.2	0	0	0	110.5	D2 S3 V4 P33 N34 L35	D2-L94 HydrophobicContact CB-CD1 3.54Å; D2-L94 HydrophobicContact CB-CD2 4.18Å; S3-L94 VanDerWaalsContact O-CD2 3.23Å; S3-L94 WeakPolarHBondContact O-CD2 3.38Å; V4-L94 HydrophobicContact CG2-CB 4.16Å; V4-L94 HydrophobicContact CG2-CD2 3.61Å; V4-L94 HydrophobicContact CG2-CG 3.89Å; P33-L94 HydrophobicContact CB-CB 4.11Å; N34-L94 CarbonylContact O-C 3.52Å; N34-L94 VanDerWaalsContact O-CA 3.26Å; N34-L94 WeakPolarHBondContact O-CA 3.33Å; L35-L94 HydrophobicContact CD2-CB 4.07Å
95	S	91.8	Very high	96.8	Very high	107 Å²	107	50.5 Å²	50.5	75%	0.748	32%	0.318	S	S	*	.			trans	-143.8	0	170.7	177.5	0	0	0	0	112.1	P33 N34	P33-S95 CarbonylContact C-O 3.49Å; P33-S95 VanDerWaalsContact CA-O 3.26Å; P33-S95 WeakPolarHBondContact CA-O 3.39Å; P33-S95 WeakPolarHBondContact CB-O 3.21Å; N34-S95 PolarHBondContact N-O 2.67Å; N34-S95 PolarHBondContact O-N 3.16Å

Retrieved 95 of 95 residues in 139.4 ms (Link to these results)

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