A0A075B6D3_MOUSE Loading...

T cell receptor alpha variable 6D-3

AlphaFold DB , UniProt , Accession A0A075B6D3, Species MOUSE (Mus musculus, Mouse), Gene Trav6d-3, Length 102 aa.

						>A0A075B6D3_MOUSE|A0A075B6D3|Trav6d-3
IFFLSGRTHGDSVIQMQGQVTLSENDFLFINCTYSTTGYPTLFWYVQYSGEGPQLLLQVTTANNKGSSRGFEATYDKGTTSFHLQKTSVQEIDSAVYYCAMS
					

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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	I	41.9	Very low	54.9	Low	190 Å²	190	139.7 Å²	139.7	97%	0.974	74%	0.738	S	S	*	*				0	97.6	0	-63.7	166.1	0	0	0	106.3	F3	I1-F3 HydrophobicContact CG2-CD2 4.28Å; I1-F3 HydrophobicContact CG2-CE2 3.84Å; I1-F3 HydrophobicContact CG2-CZ 4.14Å
2	F	39.9	Very low	58.2	Low	204 Å²	204	132.3 Å²	132.3	90%	0.895	71%	0.706	S	S	*	*			trans	-92.6	112.3	177	-76.5	-81.7	0	0	0	107.8	L4	F2-L4 PolarHBondContact O-N 3.28Å
3	F	44.8	Very low	61.1	Low	180 Å²	180	126 Å²	126	79%	0.789	68%	0.675	S	S	*	*			trans	-74.8	105.4	167.3	-70.5	-84.7	0	0	0	107.3	I1 S5	I1-F3 HydrophobicContact CG2-CD2 4.28Å; I1-F3 HydrophobicContact CG2-CE2 3.84Å; I1-F3 HydrophobicContact CG2-CZ 4.14Å; F3-S5 PolarHBondContact O-N 3.42Å
4	L	48.7	Very low	63.6	Low	168 Å²	168	125 Å²	125	88%	0.88	67%	0.668	S	S	*	*			trans	-71	88.1	163.1	-70.7	171	0	0	0	106.9	F2 G6	F2-L4 PolarHBondContact O-N 3.28Å; L4-G6 PolarHBondContact O-N 3.05Å
5	S	47.7	Very low	65.6	Low	116 Å²	116	120.6 Å²	120.6	81%	0.811	64%	0.642	S	S	*	*			trans	-70.2	57.1	157.7	-54.8	0	0	0	0	108.6	F3 R7	F3-S5 PolarHBondContact O-N 3.42Å; S5-R7 VanDerWaalsContact C-N 3.26Å; S5-R7 PolarHBondContact O-N 3.42Å
6	G	46.2	Very low	67	Low	57 Å²	57	117.6 Å²	117.6	59%	0.588	62%	0.624	S	S	*	*			trans	-72.8	86.8	172.8	0	0	0	0	0	107.5	L4 T8	L4-G6 PolarHBondContact O-N 3.05Å; G6-T8 PolarHBondContact O-N 2.76Å
7	R	48.4	Very low	68.1	Low	231 Å²	231	121.4 Å²	121.4	87%	0.872	64%	0.638	S	S	*	*			trans	-68.9	86.8	163.4	-153.5	176.7	-171.7	-173.7	1.1	105.1	S5 H9	S5-R7 VanDerWaalsContact C-N 3.26Å; S5-R7 PolarHBondContact O-N 3.42Å; R7-H9 VanDerWaalsContact C-N 3.32Å; R7-H9 PolarHBondContact O-N 2.87Å
8	T	55.8	Low	69.2	Low	130 Å²	130	118.8 Å²	118.8	80%	0.798	65%	0.645	S	S	*	*			trans	-64.1	103.4	168.8	49.3	0	0	0	0	105.2	G6 G10	G6-T8 PolarHBondContact O-N 2.76Å; T8-G10 PolarHBondContact O-N 2.85Å
9	H	61.7	Low	70.4	Confident	129 Å²	129	121.8 Å²	121.8	60%	0.597	65%	0.654	S	S	*	*			trans	-73.8	78.3	170	-147.4	-90.2	0	0	0	105.6	R7	R7-H9 VanDerWaalsContact C-N 3.32Å; R7-H9 PolarHBondContact O-N 2.87Å
10	G	79.6	Confident	71.4	Confident	43 Å²	43	119.3 Å²	119.3	44%	0.443	64%	0.643	S	S	.	*			trans	-72.6	131.8	-178.2	0	0	0	0	0	109.6	T8 S12	T8-G10 PolarHBondContact O-N 2.85Å; G10-S12 PolarHBondContact O-N 2.88Å
11	D	89.4	Confident	72.6	Confident	89 Å²	89	119.1 Å²	119.1	48%	0.476	65%	0.646	S	S	.	*			trans	-60.6	127.1	167.4	-88.8	23.4	0	0	0	109	S35 T36 M101	D11-S35 CarbonylContact C-O 3.59Å; D11-S35 VanDerWaalsContact CA-O 3.27Å; D11-S35 WeakPolarHBondContact CA-O 3.5Å; D11-T36 WeakPolarHBondContact OD1-CA 3.42Å; D11-T36 WeakPolarHBondContact OD1-CB 3.31Å; D11-T36 PolarHBondContact OD1-OG1 2.71Å; D11-T36 VanDerWaalsContact OD1-OG1 3.08Å; D11-T36 WeakPolarHBondContact OD2-CB 3.45Å; D11-T36 PolarHBondContact OD2-OG1 2.64Å; D11-M101 HydrophobicContact CB-CE 3.37Å
12	S	94.5	Very high	75.1	Confident	50 Å²	50	113.1 Å²	113.1	35%	0.35	62%	0.616	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-148.8	157.8	-177.7	54.2	0	0	0	0	113.6	G10 Y34 S35	G10-S12 PolarHBondContact O-N 2.88Å; S12-Y34 CarbonylContact O-C 3.51Å; S12-Y34 VanDerWaalsContact O-CA 3.3Å; S12-Y34 WeakPolarHBondContact O-CA 3.23Å; S12-S35 PolarHBondContact N-O 3Å; S12-S35 PolarHBondContact O-N 3.11Å
13	V	95.8	Very high	77.8	Confident	51 Å²	51	107.2 Å²	107.2	31%	0.309	60%	0.6	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-118.2	142.7	167	-67.7	0	0	0	0	109.3	T33 M101	V13-T33 CarbonylContact C-O 3.5Å; V13-T33 WeakPolarHBondContact CA-O 3.39Å; V13-M101 HydrophobicContact CG1-CB 4Å; V13-M101 HydrophobicContact CG1-CG 3.73Å; V13-M101 HydrophobicContact CG1-SD 3.75Å
14	I	95.7	Very high	80.3	Confident	112 Å²	112	104 Å²	104	57%	0.574	59%	0.588	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-124.8	115.4	177.5	-59.1	173.2	0	0	0	107.2	C32 T33	I14-C32 CarbonylContact O-C 3.58Å; I14-C32 WeakPolarHBondContact O-CA 3.22Å; I14-T33 PolarHBondContact N-O 2.88Å; I14-T33 PolarHBondContact O-N 3.33Å
15	Q	94.1	Very high	82.6	Confident	59 Å²	59	101 Å²	101	28%	0.276	57%	0.572	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-112.1	157.3	176.3	62.9	177.5	72.6	0	0	111.7	Q17 N31 Y97 C99	Q15-Q17 PolarHBondContact O-N 3.07Å; Q15-N31 VanDerWaalsContact CA-O 3.25Å; Q15-N31 WeakPolarHBondContact CA-O 3.44Å; Q15-Y97 PolarHBondContact NE2-O 2.94Å; Q15-C99 VanDerWaalsContact OE1-N 3.07Å
16	M	87.2	Confident	85	Confident	73 Å²	73	98.5 Å²	98.5	36%	0.36	55%	0.55	S	S	.	.			trans	-55.4	129.6	169.2	-172.9	168.6	66.4	0	0	109.8	V20 N31	M16-V20 HydrophobicContact CE-CG2 3.3Å; M16-N31 HydrophobicContact CB-CB 4.27Å; M16-N31 PolarHBondContact N-O 2.98Å
17	Q	85.8	Confident	87.4	Confident	182 Å²	182	101 Å²	101	85%	0.85	55%	0.545	S	S	*	.			trans	-96.9	149.8	178.8	-63.3	-176.8	-2	0	0	110.4	Q15	Q15-Q17 PolarHBondContact O-N 3.07Å
18	G	88.8	Confident	89.8	Confident	74 Å²	74	90.6 Å²	90.6	76%	0.763	51%	0.506	S	S	*	.	S	Bend	trans	100.3	180	177.3	0	0	0	0	0	113.8
19	Q	91.2	Very high	91.7	Very high	177 Å²	177	88.5 Å²	88.5	83%	0.827	49%	0.486	S	S	*	.			trans	-89.5	136.9	179.4	-177.6	177.8	-33.6	0	0	110	T21	Q19-T21 PolarHBondContact NE2-OG1 2.84Å
20	V	91.6	Very high	93.4	Very high	71 Å²	71	83.1 Å²	83.1	43%	0.43	46%	0.462	S	S	.	.			trans	-107.6	129.2	169.1	-171.9	0	0	0	0	107.5	M16 L22	M16-V20 HydrophobicContact CE-CG2 3.3Å; V20-L22 HydrophobicContact CG1-CD1 4.37Å; V20-L22 HydrophobicContact CG1-CD2 4.03Å; V20-L22 HydrophobicContact CG1-CG 3.92Å
21	T	94.9	Very high	94.3	Very high	116 Å²	116	84.1 Å²	84.1	71%	0.712	46%	0.457	S	S	*	.			trans	-113.3	122.3	173.7	-54.9	0	0	0	0	107.9	Q19	Q19-T21 PolarHBondContact NE2-OG1 2.84Å
22	L	95.3	Very high	94.7	Very high	63 Å²	63	80 Å²	80	33%	0.33	44%	0.435	S	S	.	.			trans	-125.7	155.3	179.7	-63.1	178.5	0	0	0	109.3	V20 D26 L28 V89	V20-L22 HydrophobicContact CG1-CD1 4.37Å; V20-L22 HydrophobicContact CG1-CD2 4.03Å; V20-L22 HydrophobicContact CG1-CG 3.92Å; L22-D26 HydrophobicContact CB-CB 4.04Å; L22-D26 HydrophobicContact CD2-CB 4.39Å; L22-L28 HydrophobicContact CD1-CB 4Å; L22-L28 HydrophobicContact CD1-CD1 3.58Å; L22-L28 HydrophobicContact CD1-CG 4.42Å; L22-V89 HydrophobicContact CB-CG2 4.08Å; L22-V89 HydrophobicContact CD1-CG1 4.2Å; L22-V89 HydrophobicContact CD1-CG2 4.37Å
23	S	97	Very high	94.8	Very high	81 Å²	81	80 Å²	80	57%	0.566	43%	0.433	S	S	*	.			trans	-88.6	159	170.5	-53.2	0	0	0	0	110.4	N25 D26 V89	S23-N25 PolarHBondContact O-N 2.91Å; S23-D26 WeakPolarHBondContact CA-OD2 3.26Å; S23-D26 WeakPolarHBondContact CB-OD2 3.44Å; S23-D26 PolarHBondContact N-OD2 3.43Å; S23-D26 WeakPolarHBondContact O-CB 3.19Å; S23-D26 VanDerWaalsContact O-CG 3.3Å; S23-D26 PolarHBondContact O-N 3.09Å; S23-V89 VanDerWaalsContact O-CG2 3.26Å; S23-V89 WeakPolarHBondContact O-CG2 3.5Å
24	E	96.4	Very high	94.8	Very high	113 Å²	113	78.1 Å²	78.1	53%	0.528	42%	0.421	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.8	137.6	174.3	-166.7	-179.3	-159.5	0	0	111.1	D26	E24-D26 PolarHBondContact O-N 3.17Å
25	N	97.2	Very high	94.8	Very high	105 Å²	105	74.9 Å²	74.9	56%	0.561	41%	0.408	S	S	*	.	T	Hydrogen-bonded Turn	trans	71.5	4.1	-174.4	-43.7	-73.2	0	0	0	116.2	S23 S88 V89	S23-N25 PolarHBondContact O-N 2.91Å; N25-S88 WeakPolarHBondContact CA-OG 3.37Å; N25-S88 PolarHBondContact OD1-OG 2.91Å; N25-V89 PolarHBondContact N-O 2.85Å
26	D	98	Very high	94.8	Very high	63 Å²	63	73.5 Å²	73.5	34%	0.337	40%	0.403	S	S	.	.	P	Polyproline II helix	trans	-68.3	156.9	170.4	-74.9	-13.5	0	0	0	111.7	L22 S23 E24 V89	L22-D26 HydrophobicContact CB-CB 4.04Å; L22-D26 HydrophobicContact CD2-CB 4.39Å; S23-D26 WeakPolarHBondContact CA-OD2 3.26Å; S23-D26 WeakPolarHBondContact CB-OD2 3.44Å; S23-D26 PolarHBondContact N-OD2 3.43Å; S23-D26 WeakPolarHBondContact O-CB 3.19Å; S23-D26 VanDerWaalsContact O-CG 3.3Å; S23-D26 PolarHBondContact O-N 3.09Å; E24-D26 PolarHBondContact O-N 3.17Å; D26-V89 HydrophobicContact CB-CG2 4.19Å; D26-V89 WeakPolarHBondContact O-CG2 3.37Å; D26-V89 PolarHBondContact O-N 2.79Å
27	F	97.9	Very high	94.9	Very high	110 Å²	110	76.3 Å²	76.3	48%	0.482	43%	0.425	S	S	.	.	P	Polyproline II helix	trans	-80.1	123.1	171.5	179.7	-104.8	0	0	0	110.5	F29 Q85 K86	F27-F29 HydrophobicContact CD1-CB 4.23Å; F27-F29 HydrophobicContact CE1-CB 3.74Å; F27-F29 HydrophobicContact CE1-CD2 4.16Å; F27-F29 HydrophobicContact CE1-CG 4.33Å; F27-F29 HydrophobicContact CZ-CD2 4.45Å; F27-Q85 HydrophobicContact CE2-CB 4.27Å; F27-Q85 HydrophobicContact CZ-CB 3.9Å; F27-K86 WeakPolarHBondContact CD2-O 3.28Å
28	L	96.8	Very high	95.1	Very high	12 Å²	12	69.2 Å²	69.2	6%	0.063	40%	0.4	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	135.5	171.5	179.3	70.6	0	0	0	110.6	L22 I30 F71 Q85 K86 V89	L22-L28 HydrophobicContact CD1-CB 4Å; L22-L28 HydrophobicContact CD1-CD1 3.58Å; L22-L28 HydrophobicContact CD1-CG 4.42Å; L28-I30 HydrophobicContact CD1-CD1 4.12Å; L28-I30 HydrophobicContact CD1-CG1 3.84Å; L28-I30 HydrophobicContact CD2-CD1 4.2Å; L28-I30 HydrophobicContact CD2-CG1 4.36Å; L28-I30 HydrophobicContact CG-CD1 4.4Å; L28-I30 HydrophobicContact CG-CG1 4.06Å; L28-F71 HydrophobicContact CD2-CD1 4.12Å; L28-F71 HydrophobicContact CD2-CE1 3.53Å; L28-Q85 WeakPolarHBondContact O-CA 3.16Å; L28-K86 HydrophobicContact CB-CB 4.12Å; L28-K86 HydrophobicContact CD2-CB 4.37Å; L28-K86 PolarHBondContact N-O 3.47Å; L28-K86 PolarHBondContact O-N 2.91Å; L28-K86 VanDerWaalsContact O-N 3.1Å; L28-V89 HydrophobicContact CB-CG1 3.52Å; L28-V89 HydrophobicContact CD2-CG1 4.44Å; L28-V89 HydrophobicContact CG-CG1 4.45Å
29	F	97.2	Very high	95.4	Very high	85 Å²	85	73.2 Å²	73.2	37%	0.373	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141	119.1	168.8	-172.5	-102.5	0	0	0	110.6	F27 N31 H83 L84 Q85	F27-F29 HydrophobicContact CD1-CB 4.23Å; F27-F29 HydrophobicContact CE1-CB 3.74Å; F27-F29 HydrophobicContact CE1-CD2 4.16Å; F27-F29 HydrophobicContact CE1-CG 4.33Å; F27-F29 HydrophobicContact CZ-CD2 4.45Å; F29-N31 WeakPolarHBondContact CE1-OD1 3.49Å; F29-H83 HydrophobicContact CE2-CB 3.75Å; F29-H83 HydrophobicContact CZ-CB 3.84Å; F29-H83 AromaticContact CZ-CG 3.79Å; F29-H83 AromaticContact CZ-ND1 3.88Å; F29-L84 WeakPolarHBondContact CA-O 3.02Å; F29-Q85 HydrophobicContact CD2-CB 4.34Å
30	I	97.1	Very high	95.6	Very high	17 Å²	17	65.1 Å²	65.1	9%	0.087	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	121.2	177	-50.9	-178.4	0	0	0	108.9	L28 C32 W44 H83 L84 Y97	L28-I30 HydrophobicContact CD1-CD1 4.12Å; L28-I30 HydrophobicContact CD1-CG1 3.84Å; L28-I30 HydrophobicContact CD2-CD1 4.2Å; L28-I30 HydrophobicContact CD2-CG1 4.36Å; L28-I30 HydrophobicContact CG-CD1 4.4Å; L28-I30 HydrophobicContact CG-CG1 4.06Å; I30-C32 PolarHBondContact O-N 2.92Å; I30-W44 HydrophobicContact CB-CH2 4.14Å; I30-W44 HydrophobicContact CG2-CH2 3.65Å; I30-W44 HydrophobicContact CG2-CZ3 4.3Å; I30-H83 WeakPolarHBondContact O-CA 3.4Å; I30-L84 HydrophobicContact CB-CB 4.25Å; I30-L84 HydrophobicContact CD1-CD2 4.36Å; I30-L84 PolarHBondContact N-O 2.73Å; I30-L84 PolarHBondContact O-N 2.89Å; I30-Y97 HydrophobicContact CD1-CD2 3.97Å; I30-Y97 HydrophobicContact CD1-CG 4.02Å
31	N	97.3	Very high	95.9	Very high	64 Å²	64	63.3 Å²	63.3	34%	0.342	35%	0.345	S	S	.	.			trans	-71.4	130.8	177	-73.3	-52	0	0	0	111.8	Q15 M16 F29 H83	Q15-N31 VanDerWaalsContact CA-O 3.25Å; Q15-N31 WeakPolarHBondContact CA-O 3.44Å; M16-N31 HydrophobicContact CB-CB 4.27Å; M16-N31 PolarHBondContact N-O 2.98Å; F29-N31 WeakPolarHBondContact CE1-OD1 3.49Å; N31-H83 WeakPolarHBondContact CA-ND1 3.47Å; N31-H83 PolarHBondContact OD1-CE1 3.5Å; N31-H83 PolarHBondContact OD1-ND1 2.95Å
32	C	98	Very high	96.1	Very high	1 Å²	1	57.8 Å²	57.8	1%	0.007	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	126	161.7	178.1	0	0	0	0	109.8	I14 I30 W44 S81 F82 C99	I14-C32 CarbonylContact O-C 3.58Å; I14-C32 WeakPolarHBondContact O-CA 3.22Å; I30-C32 PolarHBondContact O-N 2.92Å; C32-W44 HydrophobicContact CB-CH2 4.03Å; C32-W44 HydrophobicContact CB-CZ2 3.46Å; C32-W44 VanDerWaalsContact CB-CZ2 3.46Å; C32-S81 WeakPolarHBondContact O-CA 3.48Å; C32-S81 WeakPolarHBondContact O-CB 3.32Å; C32-F82 PolarHBondContact O-N 2.89Å; C32-C99 HydrophobicContact CB-CB 3.57Å; C32-C99 WeakPolarHBondContact CB-SG 3.25Å; C32-C99 WeakPolarHBondContact SG-CB 3.4Å; C32-C99 CovalentContact SG-SG 2.02Å; C32-C99 PolarHBondContact SG-SG 2.94Å
33	T	97.7	Very high	96.2	Very high	52 Å²	52	56 Å²	56	32%	0.319	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	159	168	59.4	0	0	0	0	109.6	V13 I14 T80	V13-T33 CarbonylContact C-O 3.5Å; V13-T33 WeakPolarHBondContact CA-O 3.39Å; I14-T33 PolarHBondContact N-O 2.88Å; I14-T33 PolarHBondContact O-N 3.33Å; T33-T80 CarbonylContact C-O 3.59Å; T33-T80 VanDerWaalsContact CA-O 3.28Å; T33-T80 WeakPolarHBondContact CA-O 3.38Å; T33-T80 WeakPolarHBondContact CB-O 3.25Å
34	Y	96	Very high	96.3	Very high	11 Å²	11	52.1 Å²	52.1	4%	0.043	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135	155.6	179.2	71.3	-94.7	0	0	0	110.5	S12 T36 P40 L42 Y75 T80 M101	S12-Y34 CarbonylContact O-C 3.51Å; S12-Y34 VanDerWaalsContact O-CA 3.3Å; S12-Y34 WeakPolarHBondContact O-CA 3.23Å; Y34-T36 HydrophobicContact CD2-CG2 3.72Å; Y34-T36 HydrophobicContact CE2-CG2 3.76Å; Y34-P40 HydrophobicContact CD2-CG 4.11Å; Y34-P40 HydrophobicContact CE2-CG 3.99Å; Y34-L42 HydrophobicContact CD1-CD1 3.83Å; Y34-L42 HydrophobicContact CD1-CD2 3.96Å; Y34-L42 HydrophobicContact CE1-CD1 3.69Å; Y34-L42 HydrophobicContact CE1-CD2 4.47Å; Y34-L42 HydrophobicContact CG-CD2 4.15Å; Y34-Y75 HydrophobicContact CE1-CD2 4.22Å; Y34-Y75 AromaticContact CE1-CE2 3.97Å; Y34-Y75 HydrophobicContact CE1-CE2 3.97Å; Y34-Y75 AromaticContact CZ-CE2 3.79Å; Y34-Y75 VanDerWaalsContact OH-CE2 3.28Å; Y34-Y75 WeakPolarHBondContact OH-CE2 2.96Å; Y34-T80 WeakPolarHBondContact CD1-O 3.37Å; Y34-T80 HydrophobicContact CE2-CG2 4.34Å; Y34-T80 PolarHBondContact N-O 3.31Å; Y34-T80 WeakPolarHBondContact O-CB 3.37Å; Y34-M101 HydrophobicContact CD2-SD 4.41Å; Y34-M101 HydrophobicContact CG-SD 4.45Å
35	S	95.9	Very high	96.4	Very high	43 Å²	43	50.4 Å²	50.4	30%	0.301	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	114.2	175.1	167.9	0	0	0	0	108.1	D11 S12	D11-S35 CarbonylContact C-O 3.59Å; D11-S35 VanDerWaalsContact CA-O 3.27Å; D11-S35 WeakPolarHBondContact CA-O 3.5Å; S12-S35 PolarHBondContact N-O 3Å; S12-S35 PolarHBondContact O-N 3.11Å
36	T	93.4	Very high	96.4	Very high	31 Å²	31	45.4 Å²	45.4	19%	0.19	24%	0.236	C	C	.	.			trans	-157.5	162.6	173.1	-179.5	0	0	0	0	109.1	D11 Y34 G38 P40	D11-T36 WeakPolarHBondContact OD1-CA 3.42Å; D11-T36 WeakPolarHBondContact OD1-CB 3.31Å; D11-T36 PolarHBondContact OD1-OG1 2.71Å; D11-T36 VanDerWaalsContact OD1-OG1 3.08Å; D11-T36 WeakPolarHBondContact OD2-CB 3.45Å; D11-T36 PolarHBondContact OD2-OG1 2.64Å; Y34-T36 HydrophobicContact CD2-CG2 3.72Å; Y34-T36 HydrophobicContact CE2-CG2 3.76Å; T36-G38 PolarHBondContact OG1-N 3Å; T36-P40 HydrophobicContact CG2-CB 4.27Å; T36-P40 VanDerWaalsContact CG2-CD 3.46Å; T36-P40 HydrophobicContact CG2-CG 3.64Å
37	T	89.3	Confident	96.4	Very high	132 Å²	132	45 Å²	45	81%	0.81	23%	0.233	S	C	*	.	S	Bend	trans	-87.8	-13.3	176.1	57.9	0	0	0	0	113.2
38	G	90.4	Very high	96.4	Very high	32 Å²	32	42.1 Å²	42.1	33%	0.33	22%	0.219	S	C	.	.	S	Bend	trans	-105.7	-158.5	-172.2	0	0	0	0	0	115.8	T36 P40	T36-G38 PolarHBondContact OG1-N 3Å; G38-P40 VanDerWaalsContact O-CD 3.31Å; G38-P40 WeakPolarHBondContact O-CD 3.41Å
39	Y	94.3	Very high	96.3	Very high	159 Å²	159	47.1 Å²	47.1	62%	0.624	26%	0.255	S	S	*	.			trans	-111.4	80.7	171.9	-64.7	-92.8	0	0	0	108.4	A62 Y75 K77	Y39-A62 HydrophobicContact CD1-CB 4.12Å; Y39-A62 HydrophobicContact CE1-CB 4.36Å; Y39-Y75 WeakPolarHBondContact CA-OH 3.04Å; Y39-K77 HydrophobicContact CD1-CD 4.16Å; Y39-K77 HydrophobicContact CE1-CD 3.63Å; Y39-K77 VanDerWaalsContact CE1-CE 3.49Å; Y39-K77 PolarHBondContact OH-NZ 2.74Å
40	P	96.1	Very high	96.2	Very high	7 Å²	7	47.5 Å²	47.5	5%	0.045	28%	0.283	C	S	.	.			trans	-64.8	155.2	-177.2	29	-39.3	0	0	0	110.9	Y34 T36 G38 L42 Y75 M101 S102	Y34-P40 HydrophobicContact CD2-CG 4.11Å; Y34-P40 HydrophobicContact CE2-CG 3.99Å; T36-P40 HydrophobicContact CG2-CB 4.27Å; T36-P40 VanDerWaalsContact CG2-CD 3.46Å; T36-P40 HydrophobicContact CG2-CG 3.64Å; G38-P40 VanDerWaalsContact O-CD 3.31Å; G38-P40 WeakPolarHBondContact O-CD 3.41Å; P40-L42 HydrophobicContact CB-CD2 4.12Å; P40-L42 HydrophobicContact CG-CD2 3.79Å; P40-L42 HydrophobicContact CG-CG 4.25Å; P40-Y75 VanDerWaalsContact CD-OH 3.26Å; P40-Y75 WeakPolarHBondContact CD-OH 3.37Å; P40-Y75 WeakPolarHBondContact O-CE1 3.39Å; P40-M101 HydrophobicContact CB-CB 4.08Å; P40-S102 CarbonylContact C-O 3.6Å; P40-S102 WeakPolarHBondContact CA-O 3.38Å
41	T	97.8	Very high	96.1	Very high	32 Å²	32	51.1 Å²	51.1	20%	0.196	30%	0.299	C	S	.	.			trans	-80	131.2	156.1	-57.4	0	0	0	0	108.3	F43 T60 M101 S102	T41-F43 HydrophobicContact CG2-CD1 4.47Å; T41-F43 HydrophobicContact CG2-CD2 4.4Å; T41-F43 HydrophobicContact CG2-CE1 3.72Å; T41-F43 HydrophobicContact CG2-CE2 3.63Å; T41-F43 HydrophobicContact CG2-CZ 3.24Å; T41-F43 WeakPolarHBondContact O-CD2 3.11Å; T41-F43 VanDerWaalsContact O-CE2 3.24Å; T41-F43 WeakPolarHBondContact O-CE2 3.45Å; T41-T60 HydrophobicContact CG2-CG2 3.61Å; T41-M101 CarbonylContact O-C 3.52Å; T41-M101 VanDerWaalsContact O-CA 3.23Å; T41-M101 WeakPolarHBondContact O-CA 3.42Å; T41-S102 PolarHBondContact N-O 3.28Å; T41-S102 PolarHBondContact O-N 2.94Å
42	L	98.5	Very high	96.1	Very high	0 Å²	0	50.1 Å²	50.1	0%	0	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	139.5	-178.2	-59.7	175.2	0	0	0	110.1	Y34 P40 Q58 V59 Y75 F82 M101	Y34-L42 HydrophobicContact CD1-CD1 3.83Å; Y34-L42 HydrophobicContact CD1-CD2 3.96Å; Y34-L42 HydrophobicContact CE1-CD1 3.69Å; Y34-L42 HydrophobicContact CE1-CD2 4.47Å; Y34-L42 HydrophobicContact CG-CD2 4.15Å; P40-L42 HydrophobicContact CB-CD2 4.12Å; P40-L42 HydrophobicContact CG-CD2 3.79Å; P40-L42 HydrophobicContact CG-CG 4.25Å; L42-Q58 CarbonylContact O-C 3.58Å; L42-Q58 VanDerWaalsContact O-CA 3.23Å; L42-Q58 WeakPolarHBondContact O-CA 3.23Å; L42-V59 PolarHBondContact N-O 2.87Å; L42-V59 PolarHBondContact O-N 3.4Å; L42-Y75 HydrophobicContact CD1-CD1 3.85Å; L42-Y75 HydrophobicContact CD1-CD2 3.36Å; L42-Y75 HydrophobicContact CD1-CE1 4.19Å; L42-Y75 HydrophobicContact CD1-CE2 3.77Å; L42-Y75 HydrophobicContact CD1-CG 3.44Å; L42-Y75 VanDerWaalsContact CD1-CG 3.44Å; L42-Y75 HydrophobicContact CG-CD1 4.28Å; L42-Y75 HydrophobicContact CG-CE1 4.43Å; L42-Y75 HydrophobicContact CG-CG 4.35Å; L42-F82 HydrophobicContact CB-CB 4.41Å; L42-F82 HydrophobicContact CB-CD1 3.57Å; L42-F82 HydrophobicContact CB-CD2 3.99Å; L42-F82 HydrophobicContact CB-CE1 3.65Å; L42-F82 HydrophobicContact CB-CE2 4.1Å; L42-F82 HydrophobicContact CB-CG 3.74Å; L42-F82 HydrophobicContact CB-CZ 3.93Å; L42-F82 HydrophobicContact CD1-CB 3.82Å; L42-F82 HydrophobicContact CD1-CD2 3.92Å; L42-F82 HydrophobicContact CD1-CG 3.85Å; L42-F82 HydrophobicContact CG-CG 4.37Å; L42-M101 HydrophobicContact CD2-CB 3.62Å
43	F	98.5	Very high	96.1	Very high	26 Å²	26	53.9 Å²	53.9	11%	0.114	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	145.1	-173.5	-52.1	-94.8	0	0	0	110.7	T41 Y45 L55 L57 Q58 A100 S102	T41-F43 HydrophobicContact CG2-CD1 4.47Å; T41-F43 HydrophobicContact CG2-CD2 4.4Å; T41-F43 HydrophobicContact CG2-CE1 3.72Å; T41-F43 HydrophobicContact CG2-CE2 3.63Å; T41-F43 HydrophobicContact CG2-CZ 3.24Å; T41-F43 WeakPolarHBondContact O-CD2 3.11Å; T41-F43 VanDerWaalsContact O-CE2 3.24Å; T41-F43 WeakPolarHBondContact O-CE2 3.45Å; F43-Y45 HydrophobicContact CB-CD2 4.1Å; F43-Y45 HydrophobicContact CB-CE2 3.55Å; F43-Y45 HydrophobicContact CG-CE2 4.13Å; F43-L55 HydrophobicContact CB-CD1 4.37Å; F43-L55 HydrophobicContact CD1-CD1 3.87Å; F43-L57 WeakPolarHBondContact CA-O 3.33Å; F43-Q58 HydrophobicContact CD1-CB 3.57Å; F43-Q58 HydrophobicContact CE1-CB 3.87Å; F43-Q58 HydrophobicContact CG-CB 4.44Å; F43-A100 HydrophobicContact CB-CB 4.38Å; F43-A100 PolarHBondContact N-O 3.1Å; F43-A100 PolarHBondContact O-N 2.83Å; F43-S102 WeakPolarHBondContact CE2-OG 3.36Å
44	W	98.5	Very high	96.1	Very high	0 Å²	0	55.2 Å²	55.2	0%	0	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	132.2	157.3	-82.6	99.7	0	0	0	109.1	I30 C32 L56 L57 F82 L84 Y98 C99	I30-W44 HydrophobicContact CB-CH2 4.14Å; I30-W44 HydrophobicContact CG2-CH2 3.65Å; I30-W44 HydrophobicContact CG2-CZ3 4.3Å; C32-W44 HydrophobicContact CB-CH2 4.03Å; C32-W44 HydrophobicContact CB-CZ2 3.46Å; C32-W44 VanDerWaalsContact CB-CZ2 3.46Å; W44-L56 HydrophobicContact CB-CB 4.36Å; W44-L56 HydrophobicContact CB-CD2 4.29Å; W44-L56 WeakPolarHBondContact O-CA 3.47Å; W44-L56 WeakPolarHBondContact O-CB 3.46Å; W44-L56 PolarHBondContact O-N 3.5Å; W44-L57 HydrophobicContact CB-CD1 4.11Å; W44-L57 HydrophobicContact CB-CG 4.15Å; W44-L57 HydrophobicContact CG-CD1 4.4Å; W44-L57 PolarHBondContact N-O 2.8Å; W44-L57 PolarHBondContact O-N 3.34Å; W44-F82 AromaticContact CD1-CD1 3.4Å; W44-F82 VanDerWaalsContact CD1-CD1 3.4Å; W44-F82 AromaticContact CD1-CE1 3.25Å; W44-F82 HydrophobicContact CG-CD1 4.47Å; W44-F82 HydrophobicContact CG-CE1 4.26Å; W44-F82 AromaticContact NE1-CD1 3.35Å; W44-F82 AromaticContact NE1-CE1 3.74Å; W44-F82 PolarHBondContact NE1-O 2.81Å; W44-L84 HydrophobicContact CB-CD1 4.28Å; W44-L84 HydrophobicContact CD2-CB 3.94Å; W44-L84 HydrophobicContact CD2-CD1 4.21Å; W44-L84 HydrophobicContact CD2-CD2 3.99Å; W44-L84 HydrophobicContact CD2-CG 4.28Å; W44-L84 HydrophobicContact CE3-CB 4.43Å; W44-L84 HydrophobicContact CE3-CD2 3.99Å; W44-L84 HydrophobicContact CG-CB 4.39Å; W44-L84 HydrophobicContact CG-CD1 3.83Å; W44-L84 HydrophobicContact CG-CD2 4.32Å; W44-L84 HydrophobicContact CG-CG 4.41Å; W44-L84 HydrophobicContact CH2-CB 4.18Å; W44-L84 HydrophobicContact CZ2-CB 3.64Å; W44-L84 HydrophobicContact CZ3-CD2 4.43Å; W44-Y98 CarbonylContact C-O 3.57Å; W44-Y98 WeakPolarHBondContact CA-O 3.31Å; W44-Y98 VanDerWaalsContact CE3-O 3.28Å; W44-C99 HydrophobicContact CD2-CB 4.26Å; W44-C99 HydrophobicContact CE3-CB 4.18Å; W44-C99 HydrophobicContact CH2-CB 3.7Å; W44-C99 HydrophobicContact CZ2-CB 3.77Å; W44-C99 HydrophobicContact CZ3-CB 3.9Å
45	Y	98.4	Very high	96.2	Very high	77 Å²	77	58.6 Å²	58.6	30%	0.302	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	149	168.4	-65.8	-97.5	0	0	0	109.4	F43 P53 Q54 L55 Y97 Y98 A100	F43-Y45 HydrophobicContact CB-CD2 4.1Å; F43-Y45 HydrophobicContact CB-CE2 3.55Å; F43-Y45 HydrophobicContact CG-CE2 4.13Å; Y45-P53 HydrophobicContact CD1-CB 4.47Å; Y45-Q54 CarbonylContact C-O 3.56Å; Y45-Q54 WeakPolarHBondContact CA-O 3.32Å; Y45-Q54 WeakPolarHBondContact CB-O 3.36Å; Y45-L55 HydrophobicContact CD1-CB 4.4Å; Y45-L55 HydrophobicContact CE1-CB 4.16Å; Y45-L55 HydrophobicContact CE1-CD1 4.17Å; Y45-Y97 WeakPolarHBondContact O-CA 3.2Å; Y45-Y98 PolarHBondContact N-O 2.84Å; Y45-Y98 PolarHBondContact O-N 2.9Å; Y45-A100 HydrophobicContact CD2-CB 4.32Å; Y45-A100 HydrophobicContact CE2-CB 4.11Å
46	V	98.1	Very high	96.4	Very high	0 Å²	0	56.9 Å²	56.9	0%	0	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	142.9	169.3	68.2	0	0	0	0	109	Y48 Q54 L56 A95 V96 Y97	V46-Y48 HydrophobicContact CG1-CE2 3.93Å; V46-Y48 HydrophobicContact CG2-CE1 4.18Å; V46-Y48 HydrophobicContact CG2-CE2 4.32Å; V46-Q54 HydrophobicContact CG1-CB 4.36Å; V46-Q54 PolarHBondContact N-O 2.98Å; V46-Q54 PolarHBondContact O-N 2.83Å; V46-L56 HydrophobicContact CB-CB 4.42Å; V46-L56 HydrophobicContact CG1-CB 4.4Å; V46-A95 HydrophobicContact CG2-CB 3.38Å; V46-V96 CarbonylContact C-O 3.54Å; V46-V96 WeakPolarHBondContact CA-O 3.46Å; V46-Y97 HydrophobicContact CB-CD1 4.15Å; V46-Y97 HydrophobicContact CB-CE1 4.01Å; V46-Y97 HydrophobicContact CG2-CD1 4.01Å; V46-Y97 HydrophobicContact CG2-CE1 3.57Å
47	Q	97.9	Very high	96.6	Very high	55 Å²	55	55.9 Å²	55.9	26%	0.257	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	107.8	173.8	-175	176.1	6.5	0	0	109.4	E51 A95 V96 Y98	Q47-E51 VanDerWaalsContact CG-O 3.28Å; Q47-E51 WeakPolarHBondContact CG-O 3.17Å; Q47-E51 PolarHBondContact NE2-O 3Å; Q47-A95 WeakPolarHBondContact O-CB 3.23Å; Q47-V96 HydrophobicContact CB-CB 4.44Å; Q47-V96 PolarHBondContact N-O 2.76Å; Q47-V96 PolarHBondContact O-N 3.19Å; Q47-Y98 HydrophobicContact CB-CE2 3.79Å; Q47-Y98 PolarHBondContact OE1-OH 3.45Å; Q47-Y98 VanDerWaalsContact OE1-OH 3.08Å
48	Y	96.7	Very high	97	Very high	48 Å²	48	54.2 Å²	54.2	19%	0.188	31%	0.314	C	S	.	.			trans	-75.2	156.8	172.6	-62.3	-69.1	0	0	0	111	V46 G50 E51 R69 I92 A95	V46-Y48 HydrophobicContact CG1-CE2 3.93Å; V46-Y48 HydrophobicContact CG2-CE1 4.18Å; V46-Y48 HydrophobicContact CG2-CE2 4.32Å; Y48-G50 PolarHBondContact O-N 3Å; Y48-E51 PolarHBondContact O-N 2.97Å; Y48-R69 PolarHBondContact OH-NH1 2.89Å; Y48-I92 WeakPolarHBondContact CE1-O 2.96Å; Y48-A95 HydrophobicContact CD1-CB 3.7Å; Y48-A95 HydrophobicContact CE1-CB 3.9Å; Y48-A95 HydrophobicContact CG-CB 4.49Å
49	S	94.6	Very high	97.4	Very high	118 Å²	118	53.1 Å²	53.1	83%	0.825	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.3	121.1	178.8	-64.8	0	0	0	0	111.7	E51	S49-E51 VanDerWaalsContact C-N 3.28Å; S49-E51 PolarHBondContact O-N 3.02Å
50	G	95.9	Very high	97.6	Very high	93 Å²	93	49.2 Å²	49.2	96%	0.959	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	82.1	-2.2	179.6	0	0	0	0	0	115.1	Y48	Y48-G50 PolarHBondContact O-N 3Å
51	E	95.5	Very high	97.7	Very high	92 Å²	92	52.5 Å²	52.5	43%	0.43	31%	0.313	S	S	.	.	S	Bend	trans	-104.4	165.6	177.5	-62.2	-176	-157.3	0	0	111.8	Q47 Y48 S49 Q54	Q47-E51 VanDerWaalsContact CG-O 3.28Å; Q47-E51 WeakPolarHBondContact CG-O 3.17Å; Q47-E51 PolarHBondContact NE2-O 3Å; Y48-E51 PolarHBondContact O-N 2.97Å; S49-E51 VanDerWaalsContact C-N 3.28Å; S49-E51 PolarHBondContact O-N 3.02Å; E51-Q54 PolarHBondContact OE2-NE2 2.87Å
52	G	96.9	Very high	97.7	Very high	44 Å²	44	51.9 Å²	51.9	45%	0.454	31%	0.311	S	S	.	.			trans	-82.5	165.1	168.2	0	0	0	0	0	112.1	Q54	G52-Q54 PolarHBondContact O-N 3.43Å
53	P	97.9	Very high	97.6	Very high	80 Å²	80	57.2 Å²	57.2	52%	0.519	34%	0.34	S	S	.	.			trans	-58.7	131.7	174.3	-23.2	33.7	0	0	0	112.2	Y45	Y45-P53 HydrophobicContact CD1-CB 4.47Å
54	Q	98.3	Very high	97.6	Very high	79 Å²	79	60 Å²	60	37%	0.369	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	142.9	177.7	-67.7	170.9	1.4	0	0	109.9	Y45 V46 E51 G52 L56	Y45-Q54 CarbonylContact C-O 3.56Å; Y45-Q54 WeakPolarHBondContact CA-O 3.32Å; Y45-Q54 WeakPolarHBondContact CB-O 3.36Å; V46-Q54 HydrophobicContact CG1-CB 4.36Å; V46-Q54 PolarHBondContact N-O 2.98Å; V46-Q54 PolarHBondContact O-N 2.83Å; E51-Q54 PolarHBondContact OE2-NE2 2.87Å; G52-Q54 PolarHBondContact O-N 3.43Å; Q54-L56 PolarHBondContact O-N 2.98Å
55	L	98.4	Very high	97.6	Very high	83 Å²	83	65.5 Å²	65.5	44%	0.435	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.8	120.6	175.4	-178.1	65	0	0	0	109.6	F43 Y45 Q58	F43-L55 HydrophobicContact CB-CD1 4.37Å; F43-L55 HydrophobicContact CD1-CD1 3.87Å; Y45-L55 HydrophobicContact CD1-CB 4.4Å; Y45-L55 HydrophobicContact CE1-CB 4.16Å; Y45-L55 HydrophobicContact CE1-CD1 4.17Å; L55-Q58 HydrophobicContact CD1-CB 4.44Å
56	L	98.5	Very high	97.6	Very high	6 Å²	6	62.3 Å²	62.3	3%	0.031	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	-55.7	172.4	171	61.7	0	0	0	110	W44 V46 Q54 S68 R69 F71 L84 Y97	W44-L56 HydrophobicContact CB-CB 4.36Å; W44-L56 HydrophobicContact CB-CD2 4.29Å; W44-L56 WeakPolarHBondContact O-CA 3.47Å; W44-L56 WeakPolarHBondContact O-CB 3.46Å; W44-L56 PolarHBondContact O-N 3.5Å; V46-L56 HydrophobicContact CB-CB 4.42Å; V46-L56 HydrophobicContact CG1-CB 4.4Å; Q54-L56 PolarHBondContact O-N 2.98Å; L56-S68 WeakPolarHBondContact O-CB 3.49Å; L56-S68 PolarHBondContact O-OG 2.86Å; L56-R69 HydrophobicContact CD1-CB 4.47Å; L56-F71 HydrophobicContact CD1-CB 4.42Å; L56-F71 HydrophobicContact CD1-CD2 3.85Å; L56-F71 HydrophobicContact CD1-CG 4.31Å; L56-F71 HydrophobicContact CD2-CB 4.06Å; L56-F71 HydrophobicContact CD2-CD1 4.26Å; L56-F71 HydrophobicContact CD2-CD2 4.12Å; L56-F71 HydrophobicContact CD2-CG 3.89Å; L56-L84 HydrophobicContact CD2-CD1 4.06Å; L56-L84 HydrophobicContact CD2-CD2 3.96Å; L56-Y97 HydrophobicContact CD2-CD1 4.03Å; L56-Y97 HydrophobicContact CD2-CE1 3.96Å
57	L	98.5	Very high	97.6	Very high	10 Å²	10	65.9 Å²	65.9	5%	0.052	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.2	160.3	177.9	58.3	81.5	0	0	0	111.2	F43 W44 F71 A73 F82 L84	F43-L57 WeakPolarHBondContact CA-O 3.33Å; W44-L57 HydrophobicContact CB-CD1 4.11Å; W44-L57 HydrophobicContact CB-CG 4.15Å; W44-L57 HydrophobicContact CG-CD1 4.4Å; W44-L57 PolarHBondContact N-O 2.8Å; W44-L57 PolarHBondContact O-N 3.34Å; L57-F71 HydrophobicContact CD2-CB 4.36Å; L57-A73 HydrophobicContact CD1-CB 3.84Å; L57-A73 HydrophobicContact CD2-CB 4.4Å; L57-F82 HydrophobicContact CD1-CE1 3.84Å; L57-F82 HydrophobicContact CD1-CZ 3.5Å; L57-L84 HydrophobicContact CD2-CD1 3.99Å
58	Q	98.3	Very high	97.6	Very high	98 Å²	98	65.2 Å²	65.2	46%	0.458	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140	149.8	173.5	66.4	172.5	65.2	0	0	111.3	L42 F43 L55	L42-Q58 CarbonylContact O-C 3.58Å; L42-Q58 VanDerWaalsContact O-CA 3.23Å; L42-Q58 WeakPolarHBondContact O-CA 3.23Å; F43-Q58 HydrophobicContact CD1-CB 3.57Å; F43-Q58 HydrophobicContact CE1-CB 3.87Å; F43-Q58 HydrophobicContact CG-CB 4.44Å; L55-Q58 HydrophobicContact CD1-CB 4.44Å
59	V	98.6	Very high	97.6	Very high	9 Å²	9	67.9 Å²	67.9	6%	0.055	41%	0.406	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	124.5	173.6	-175.6	0	0	0	0	109	L42 T61 N64 Y75 F82	L42-V59 PolarHBondContact N-O 2.87Å; L42-V59 PolarHBondContact O-N 3.4Å; V59-T61 WeakPolarHBondContact CG1-O 3.46Å; V59-N64 HydrophobicContact CG1-CB 3.92Å; V59-Y75 HydrophobicContact CG1-CD1 4.18Å; V59-Y75 HydrophobicContact CG1-CG 4.5Å; V59-F82 HydrophobicContact CB-CE2 3.84Å; V59-F82 HydrophobicContact CB-CZ 4.02Å; V59-F82 HydrophobicContact CG2-CE2 3.64Å; V59-F82 HydrophobicContact CG2-CZ 3.73Å
60	T	97.8	Very high	97.7	Very high	77 Å²	77	64.3 Å²	64.3	47%	0.472	39%	0.388	S	S	.	.			trans	-99.8	-19.7	-175.3	55.3	0	0	0	0	113.4	T41	T41-T60 HydrophobicContact CG2-CG2 3.61Å
61	T	97.8	Very high	97.9	Very high	75 Å²	75	59.9 Å²	59.9	46%	0.46	34%	0.343	S	S	.	.	S	Bend	trans	-115	129.5	-172.7	-55.4	0	0	0	0	109.5	V59 N64 Y75	V59-T61 WeakPolarHBondContact CG1-O 3.46Å; T61-N64 VanDerWaalsContact CB-ND2 3.32Å; T61-N64 WeakPolarHBondContact CB-ND2 3.01Å; T61-N64 WeakPolarHBondContact CG2-ND2 3.28Å; T61-N64 WeakPolarHBondContact O-CB 3.48Å; T61-N64 PolarHBondContact O-N 2.87Å; T61-Y75 WeakPolarHBondContact O-CD1 3.47Å
62	A	97.1	Very high	98	Very high	19 Å²	19	58.7 Å²	58.7	16%	0.157	34%	0.337	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56	143.9	176.3	0	0	0	0	0	111.9	Y39 N64 Y75 K77	Y39-A62 HydrophobicContact CD1-CB 4.12Å; Y39-A62 HydrophobicContact CE1-CB 4.36Å; A62-N64 PolarHBondContact O-N 2.93Å; A62-Y75 HydrophobicContact CB-CE1 4.24Å; A62-Y75 HydrophobicContact CB-CE2 4.17Å; A62-K77 HydrophobicContact CB-CB 3.95Å; A62-K77 HydrophobicContact CB-CD 4.07Å; A62-K77 HydrophobicContact CB-CG 4.48Å
63	N	97.1	Very high	98.1	Very high	112 Å²	112	56.6 Å²	56.6	60%	0.599	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.9	14.2	-179.2	-48.4	-39.2	0	0	0	114.8	Y75	N63-Y75 WeakPolarHBondContact CA-O 3.33Å; N63-Y75 PolarHBondContact N-O 2.99Å
64	N	98.2	Very high	98.1	Very high	84 Å²	84	54.9 Å²	54.9	45%	0.449	30%	0.304	S	S	.	.			trans	-96.6	161.4	168.7	-76.3	-19.2	0	0	0	111.4	V59 T61 A62 Y75	V59-N64 HydrophobicContact CG1-CB 3.92Å; T61-N64 VanDerWaalsContact CB-ND2 3.32Å; T61-N64 WeakPolarHBondContact CB-ND2 3.01Å; T61-N64 WeakPolarHBondContact CG2-ND2 3.28Å; T61-N64 WeakPolarHBondContact O-CB 3.48Å; T61-N64 PolarHBondContact O-N 2.87Å; A62-N64 PolarHBondContact O-N 2.93Å; N64-Y75 PolarHBondContact O-N 3.24Å
65	K	98.2	Very high	98.1	Very high	116 Å²	116	51.1 Å²	51.1	50%	0.504	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	138.7	176.9	-178.6	-176.7	-75.6	-162.4	0	110	E72 A73 T74	K65-E72 HydrophobicContact CD-CB 4.27Å; K65-E72 HydrophobicContact CD-CG 4.46Å; K65-E72 IonicContact NZ-OE2 2.74Å; K65-E72 PolarHBondContact NZ-OE2 2.79Å; K65-A73 WeakPolarHBondContact CA-O 3.38Å; K65-T74 WeakPolarHBondContact CE-OG1 3.49Å
66	G	98.3	Very high	98.1	Very high	10 Å²	10	49.8 Å²	49.8	10%	0.103	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	148.7	167.2	0	0	0	0	0	110.1	E72 A73	G66-E72 WeakPolarHBondContact O-CA 3.34Å; G66-A73 PolarHBondContact N-O 2.83Å; G66-A73 PolarHBondContact O-N 3.2Å
67	S	98.4	Very high	98	Very high	76 Å²	76	53.3 Å²	53.3	53%	0.531	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	142.4	174	-177.2	0	0	0	0	111.1	F71	S67-F71 CarbonylContact C-O 3.53Å; S67-F71 WeakPolarHBondContact CA-O 3.46Å; S67-F71 PolarHBondContact OG-O 2.85Å
68	S	98.3	Very high	97.9	Very high	40 Å²	40	56.3 Å²	56.3	28%	0.28	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-162.3	134.3	177.4	178.7	0	0	0	0	109.9	L56 G70 F71	L56-S68 WeakPolarHBondContact O-CB 3.49Å; L56-S68 PolarHBondContact O-OG 2.86Å; S68-G70 PolarHBondContact O-N 3.08Å; S68-G70 VanDerWaalsContact O-N 3.11Å; S68-F71 PolarHBondContact N-O 3.3Å; S68-F71 WeakPolarHBondContact O-CB 3.37Å; S68-F71 PolarHBondContact O-N 2.9Å
69	R	96.8	Very high	97.8	Very high	104 Å²	104	55.4 Å²	55.4	39%	0.392	33%	0.329	S	S	.	.	T	Hydrogen-bonded Turn	trans	51.4	34	178.8	-61.2	-177.6	-71.4	-167.2	-14.2	114.5	Y48 L56 F71 K86	Y48-R69 PolarHBondContact OH-NH1 2.89Å; L56-R69 HydrophobicContact CD1-CB 4.47Å; R69-F71 HydrophobicContact CB-CD2 4.19Å; R69-F71 WeakPolarHBondContact O-CD2 3.19Å; R69-F71 PolarHBondContact O-N 3.26Å; R69-K86 PolarHBondContact O-NZ 2.79Å
70	G	97.7	Very high	97.7	Very high	43 Å²	43	58 Å²	58	44%	0.443	35%	0.345	S	S	.	.	T	Hydrogen-bonded Turn	trans	77.7	-2.1	-177.3	0	0	0	0	0	114.9	S68	S68-G70 PolarHBondContact O-N 3.08Å; S68-G70 VanDerWaalsContact O-N 3.11Å
71	F	98.6	Very high	97.7	Very high	1 Å²	1	54.4 Å²	54.4	0%	0.004	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	148.8	167.8	-62.5	-93.9	0	0	0	110.3	L28 L56 L57 S67 S68 R69 L84 Q85 K86 D93 Y97	L28-F71 HydrophobicContact CD2-CD1 4.12Å; L28-F71 HydrophobicContact CD2-CE1 3.53Å; L56-F71 HydrophobicContact CD1-CB 4.42Å; L56-F71 HydrophobicContact CD1-CD2 3.85Å; L56-F71 HydrophobicContact CD1-CG 4.31Å; L56-F71 HydrophobicContact CD2-CB 4.06Å; L56-F71 HydrophobicContact CD2-CD1 4.26Å; L56-F71 HydrophobicContact CD2-CD2 4.12Å; L56-F71 HydrophobicContact CD2-CG 3.89Å; L57-F71 HydrophobicContact CD2-CB 4.36Å; S67-F71 CarbonylContact C-O 3.53Å; S67-F71 WeakPolarHBondContact CA-O 3.46Å; S67-F71 PolarHBondContact OG-O 2.85Å; S68-F71 PolarHBondContact N-O 3.3Å; S68-F71 WeakPolarHBondContact O-CB 3.37Å; S68-F71 PolarHBondContact O-N 2.9Å; R69-F71 HydrophobicContact CB-CD2 4.19Å; R69-F71 WeakPolarHBondContact O-CD2 3.19Å; R69-F71 PolarHBondContact O-N 3.26Å; F71-L84 HydrophobicContact CB-CD1 3.93Å; F71-L84 HydrophobicContact CD1-CD1 4.28Å; F71-L84 HydrophobicContact CD1-CD2 3.88Å; F71-L84 HydrophobicContact CD1-CG 3.98Å; F71-L84 HydrophobicContact CE1-CD2 4.38Å; F71-L84 HydrophobicContact CG-CD1 4.5Å; F71-Q85 CarbonylContact C-O 3.59Å; F71-Q85 VanDerWaalsContact CA-O 3.31Å; F71-Q85 WeakPolarHBondContact CA-O 3.41Å; F71-K86 HydrophobicContact CD1-CB 3.81Å; F71-K86 HydrophobicContact CD1-CD 3.99Å; F71-K86 HydrophobicContact CD2-CD 4Å; F71-K86 HydrophobicContact CE1-CB 4Å; F71-K86 HydrophobicContact CE1-CD 3.71Å; F71-K86 HydrophobicContact CE2-CD 3.7Å; F71-K86 HydrophobicContact CG-CB 4.36Å; F71-K86 HydrophobicContact CG-CD 4.12Å; F71-K86 HydrophobicContact CZ-CD 3.53Å; F71-D93 WeakPolarHBondContact CE2-OD1 3.3Å; F71-D93 HydrophobicContact CZ-CB 4.02Å; F71-D93 WeakPolarHBondContact CZ-OD1 3.35Å; F71-Y97 HydrophobicContact CD1-CE1 4.37Å; F71-Y97 AromaticContact CE1-CE1 3.71Å; F71-Y97 HydrophobicContact CE1-CE1 3.71Å; F71-Y97 AromaticContact CE1-CZ 3.82Å; F71-Y97 HydrophobicContact CE2-CE1 4.48Å; F71-Y97 AromaticContact CZ-CE1 3.8Å; F71-Y97 HydrophobicContact CZ-CE1 3.8Å; F71-Y97 AromaticContact CZ-CZ 3.73Å; F71-Y97 WeakPolarHBondContact CZ-OH 3.42Å
72	E	98.7	Very high	97.7	Very high	66 Å²	66	50.9 Å²	50.9	31%	0.308	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134	146.2	174.3	-59.1	-171.4	163.9	0	0	110.4	K65 G66 Q85	K65-E72 HydrophobicContact CD-CB 4.27Å; K65-E72 HydrophobicContact CD-CG 4.46Å; K65-E72 IonicContact NZ-OE2 2.74Å; K65-E72 PolarHBondContact NZ-OE2 2.79Å; G66-E72 WeakPolarHBondContact O-CA 3.34Å; E72-Q85 HydrophobicContact CB-CG 4.22Å; E72-Q85 PolarHBondContact N-O 3.44Å; E72-Q85 VanDerWaalsContact O-CG 3.23Å; E72-Q85 WeakPolarHBondContact O-CG 3.41Å; E72-Q85 PolarHBondContact O-N 2.02Å
73	A	98.7	Very high	97.8	Very high	0 Å²	0	52 Å²	52	0%	0	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	135.1	167.5	0	0	0	0	0	110	L57 K65 G66 F82 H83 L84	L57-A73 HydrophobicContact CD1-CB 3.84Å; L57-A73 HydrophobicContact CD2-CB 4.4Å; K65-A73 WeakPolarHBondContact CA-O 3.38Å; G66-A73 PolarHBondContact N-O 2.83Å; G66-A73 PolarHBondContact O-N 3.2Å; A73-F82 HydrophobicContact CB-CD1 4.36Å; A73-F82 HydrophobicContact CB-CD2 3.92Å; A73-F82 HydrophobicContact CB-CE1 4.09Å; A73-F82 HydrophobicContact CB-CE2 3.58Å; A73-F82 HydrophobicContact CB-CG 4.29Å; A73-F82 HydrophobicContact CB-CZ 3.69Å; A73-H83 WeakPolarHBondContact CA-O 3.45Å; A73-H83 WeakPolarHBondContact CB-O 3.39Å; A73-L84 HydrophobicContact CB-CD1 4.28Å
74	T	98.6	Very high	97.8	Very high	44 Å²	44	46.7 Å²	46.7	27%	0.27	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	125.8	176.1	-58.6	0	0	0	0	108.6	K65 D76 F82	K65-T74 WeakPolarHBondContact CE-OG1 3.49Å; T74-D76 VanDerWaalsContact C-N 3.33Å; T74-D76 PolarHBondContact O-N 3.29Å; T74-F82 WeakPolarHBondContact O-CD2 3.23Å
75	Y	98.4	Very high	97.8	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	27%	0.265	C	S	.	.			trans	-74.9	90.5	167.9	178.8	175.2	0	0	0	107.9	Y34 Y39 P40 L42 V59 T61 A62 N63 N64 K77	Y34-Y75 HydrophobicContact CE1-CD2 4.22Å; Y34-Y75 AromaticContact CE1-CE2 3.97Å; Y34-Y75 HydrophobicContact CE1-CE2 3.97Å; Y34-Y75 AromaticContact CZ-CE2 3.79Å; Y34-Y75 VanDerWaalsContact OH-CE2 3.28Å; Y34-Y75 WeakPolarHBondContact OH-CE2 2.96Å; Y39-Y75 WeakPolarHBondContact CA-OH 3.04Å; P40-Y75 VanDerWaalsContact CD-OH 3.26Å; P40-Y75 WeakPolarHBondContact CD-OH 3.37Å; P40-Y75 WeakPolarHBondContact O-CE1 3.39Å; L42-Y75 HydrophobicContact CD1-CD1 3.85Å; L42-Y75 HydrophobicContact CD1-CD2 3.36Å; L42-Y75 HydrophobicContact CD1-CE1 4.19Å; L42-Y75 HydrophobicContact CD1-CE2 3.77Å; L42-Y75 HydrophobicContact CD1-CG 3.44Å; L42-Y75 VanDerWaalsContact CD1-CG 3.44Å; L42-Y75 HydrophobicContact CG-CD1 4.28Å; L42-Y75 HydrophobicContact CG-CE1 4.43Å; L42-Y75 HydrophobicContact CG-CG 4.35Å; V59-Y75 HydrophobicContact CG1-CD1 4.18Å; V59-Y75 HydrophobicContact CG1-CG 4.5Å; T61-Y75 WeakPolarHBondContact O-CD1 3.47Å; A62-Y75 HydrophobicContact CB-CE1 4.24Å; A62-Y75 HydrophobicContact CB-CE2 4.17Å; N63-Y75 WeakPolarHBondContact CA-O 3.33Å; N63-Y75 PolarHBondContact N-O 2.99Å; N64-Y75 PolarHBondContact O-N 3.24Å; Y75-K77 HydrophobicContact CE2-CB 4.28Å
76	D	97.9	Very high	97.8	Very high	56 Å²	56	40.5 Å²	40.5	30%	0.299	25%	0.245	S	C	.	.	B	Isolated β-bridge	trans	-89.8	108.1	175.4	-167.1	-36.3	0	0	0	110.4	T74 G78 T79 T80 S81	T74-D76 VanDerWaalsContact C-N 3.33Å; T74-D76 PolarHBondContact O-N 3.29Å; D76-G78 WeakPolarHBondContact OD1-CA 3.38Å; D76-G78 PolarHBondContact OD1-N 2.94Å; D76-T79 WeakPolarHBondContact CB-OG1 3.35Å; D76-T79 PolarHBondContact OD1-N 3.04Å; D76-T79 PolarHBondContact OD1-OG1 2.85Å; D76-T79 PolarHBondContact OD2-OG1 3.37Å; D76-T80 CarbonylContact O-C 3.52Å; D76-T80 WeakPolarHBondContact O-CA 3.1Å; D76-T80 PolarHBondContact O-N 2.8Å; D76-T80 VanDerWaalsContact O-N 3.07Å; D76-S81 PolarHBondContact N-O 3.23Å; D76-S81 PolarHBondContact O-N 2.83Å
77	K	95.6	Very high	97.8	Very high	80 Å²	80	45.4 Å²	45.4	35%	0.348	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.6	-29.8	178	-172.3	-176.2	179.7	-159.7	0	112.3	Y39 A62 Y75 T80	Y39-K77 HydrophobicContact CD1-CD 4.16Å; Y39-K77 HydrophobicContact CE1-CD 3.63Å; Y39-K77 VanDerWaalsContact CE1-CE 3.49Å; Y39-K77 PolarHBondContact OH-NZ 2.74Å; A62-K77 HydrophobicContact CB-CB 3.95Å; A62-K77 HydrophobicContact CB-CD 4.07Å; A62-K77 HydrophobicContact CB-CG 4.48Å; Y75-K77 HydrophobicContact CE2-CB 4.28Å; K77-T80 PolarHBondContact O-N 3Å
78	G	96	Very high	97.8	Very high	73 Å²	73	43.5 Å²	43.5	75%	0.753	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.4	-42.7	-177.9	0	0	0	0	0	111.7	D76	D76-G78 WeakPolarHBondContact OD1-CA 3.38Å; D76-G78 PolarHBondContact OD1-N 2.94Å
79	T	96.7	Very high	97.8	Very high	78 Å²	78	42.2 Å²	42.2	48%	0.479	25%	0.25	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.4	0.7	176.4	56.2	0	0	0	0	113.7	D76 S81	D76-T79 WeakPolarHBondContact CB-OG1 3.35Å; D76-T79 PolarHBondContact OD1-N 3.04Å; D76-T79 PolarHBondContact OD1-OG1 2.85Å; D76-T79 PolarHBondContact OD2-OG1 3.37Å; T79-S81 PolarHBondContact O-N 2.92Å; T79-S81 PolarHBondContact OG1-OG 2.86Å
80	T	96.8	Very high	97.8	Very high	63 Å²	63	41.7 Å²	41.7	39%	0.387	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	51.7	51.6	-175.9	55.2	0	0	0	0	112.3	T33 Y34 D76 K77	T33-T80 CarbonylContact C-O 3.59Å; T33-T80 VanDerWaalsContact CA-O 3.28Å; T33-T80 WeakPolarHBondContact CA-O 3.38Å; T33-T80 WeakPolarHBondContact CB-O 3.25Å; Y34-T80 WeakPolarHBondContact CD1-O 3.37Å; Y34-T80 HydrophobicContact CE2-CG2 4.34Å; Y34-T80 PolarHBondContact N-O 3.31Å; Y34-T80 WeakPolarHBondContact O-CB 3.37Å; D76-T80 CarbonylContact O-C 3.52Å; D76-T80 WeakPolarHBondContact O-CA 3.1Å; D76-T80 PolarHBondContact O-N 2.8Å; D76-T80 VanDerWaalsContact O-N 3.07Å; K77-T80 PolarHBondContact O-N 3Å
81	S	97.9	Very high	97.7	Very high	3 Å²	3	46 Å²	46	2%	0.021	26%	0.261	C	S	.	.	B	Isolated β-bridge	trans	-137.6	160	-172.8	72	0	0	0	0	115.2	C32 D76 T79 H83	C32-S81 WeakPolarHBondContact O-CA 3.48Å; C32-S81 WeakPolarHBondContact O-CB 3.32Å; D76-S81 PolarHBondContact N-O 3.23Å; D76-S81 PolarHBondContact O-N 2.83Å; T79-S81 PolarHBondContact O-N 2.92Å; T79-S81 PolarHBondContact OG1-OG 2.86Å; S81-H83 WeakPolarHBondContact CB-NE2 3.19Å; S81-H83 PolarHBondContact OG-CD2 3.05Å; S81-H83 VanDerWaalsContact OG-CD2 3.23Å; S81-H83 PolarHBondContact OG-NE2 3.31Å
82	F	98.1	Very high	97.5	Very high	0 Å²	0	51.5 Å²	51.5	0%	0	29%	0.289	C	S	.	.			trans	-147.5	51.8	-178.1	-162.5	-128.1	0	0	0	110.8	C32 L42 W44 L57 V59 A73 T74 L84	C32-F82 PolarHBondContact O-N 2.89Å; L42-F82 HydrophobicContact CB-CB 4.41Å; L42-F82 HydrophobicContact CB-CD1 3.57Å; L42-F82 HydrophobicContact CB-CD2 3.99Å; L42-F82 HydrophobicContact CB-CE1 3.65Å; L42-F82 HydrophobicContact CB-CE2 4.1Å; L42-F82 HydrophobicContact CB-CG 3.74Å; L42-F82 HydrophobicContact CB-CZ 3.93Å; L42-F82 HydrophobicContact CD1-CB 3.82Å; L42-F82 HydrophobicContact CD1-CD2 3.92Å; L42-F82 HydrophobicContact CD1-CG 3.85Å; L42-F82 HydrophobicContact CG-CG 4.37Å; W44-F82 AromaticContact CD1-CD1 3.4Å; W44-F82 VanDerWaalsContact CD1-CD1 3.4Å; W44-F82 AromaticContact CD1-CE1 3.25Å; W44-F82 HydrophobicContact CG-CD1 4.47Å; W44-F82 HydrophobicContact CG-CE1 4.26Å; W44-F82 AromaticContact NE1-CD1 3.35Å; W44-F82 AromaticContact NE1-CE1 3.74Å; W44-F82 PolarHBondContact NE1-O 2.81Å; L57-F82 HydrophobicContact CD1-CE1 3.84Å; L57-F82 HydrophobicContact CD1-CZ 3.5Å; V59-F82 HydrophobicContact CB-CE2 3.84Å; V59-F82 HydrophobicContact CB-CZ 4.02Å; V59-F82 HydrophobicContact CG2-CE2 3.64Å; V59-F82 HydrophobicContact CG2-CZ 3.73Å; A73-F82 HydrophobicContact CB-CD1 4.36Å; A73-F82 HydrophobicContact CB-CD2 3.92Å; A73-F82 HydrophobicContact CB-CE1 4.09Å; A73-F82 HydrophobicContact CB-CE2 3.58Å; A73-F82 HydrophobicContact CB-CG 4.29Å; A73-F82 HydrophobicContact CB-CZ 3.69Å; T74-F82 WeakPolarHBondContact O-CD2 3.23Å; F82-L84 PolarHBondContact O-N 2.95Å
83	H	98.4	Very high	97.4	Very high	44 Å²	44	49 Å²	49	20%	0.204	28%	0.278	C	S	.	.			trans	-60.9	133.2	-177	-49.1	-79.7	0	0	0	111.1	F29 I30 N31 A73 S81	F29-H83 HydrophobicContact CE2-CB 3.75Å; F29-H83 HydrophobicContact CZ-CB 3.84Å; F29-H83 AromaticContact CZ-CG 3.79Å; F29-H83 AromaticContact CZ-ND1 3.88Å; I30-H83 WeakPolarHBondContact O-CA 3.4Å; N31-H83 WeakPolarHBondContact CA-ND1 3.47Å; N31-H83 PolarHBondContact OD1-CE1 3.5Å; N31-H83 PolarHBondContact OD1-ND1 2.95Å; A73-H83 WeakPolarHBondContact CA-O 3.45Å; A73-H83 WeakPolarHBondContact CB-O 3.39Å; S81-H83 WeakPolarHBondContact CB-NE2 3.19Å; S81-H83 PolarHBondContact OG-CD2 3.05Å; S81-H83 VanDerWaalsContact OG-CD2 3.23Å; S81-H83 PolarHBondContact OG-NE2 3.31Å
84	L	98.4	Very high	97.3	Very high	0 Å²	0	52.8 Å²	52.8	0%	0	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	138.4	172.9	-166.6	66.7	0	0	0	109.6	F29 I30 W44 L56 L57 F71 A73 F82 Y97	F29-L84 WeakPolarHBondContact CA-O 3.02Å; I30-L84 HydrophobicContact CB-CB 4.25Å; I30-L84 HydrophobicContact CD1-CD2 4.36Å; I30-L84 PolarHBondContact N-O 2.73Å; I30-L84 PolarHBondContact O-N 2.89Å; W44-L84 HydrophobicContact CB-CD1 4.28Å; W44-L84 HydrophobicContact CD2-CB 3.94Å; W44-L84 HydrophobicContact CD2-CD1 4.21Å; W44-L84 HydrophobicContact CD2-CD2 3.99Å; W44-L84 HydrophobicContact CD2-CG 4.28Å; W44-L84 HydrophobicContact CE3-CB 4.43Å; W44-L84 HydrophobicContact CE3-CD2 3.99Å; W44-L84 HydrophobicContact CG-CB 4.39Å; W44-L84 HydrophobicContact CG-CD1 3.83Å; W44-L84 HydrophobicContact CG-CD2 4.32Å; W44-L84 HydrophobicContact CG-CG 4.41Å; W44-L84 HydrophobicContact CH2-CB 4.18Å; W44-L84 HydrophobicContact CZ2-CB 3.64Å; W44-L84 HydrophobicContact CZ3-CD2 4.43Å; L56-L84 HydrophobicContact CD2-CD1 4.06Å; L56-L84 HydrophobicContact CD2-CD2 3.96Å; L57-L84 HydrophobicContact CD2-CD1 3.99Å; F71-L84 HydrophobicContact CB-CD1 3.93Å; F71-L84 HydrophobicContact CD1-CD1 4.28Å; F71-L84 HydrophobicContact CD1-CD2 3.88Å; F71-L84 HydrophobicContact CD1-CG 3.98Å; F71-L84 HydrophobicContact CE1-CD2 4.38Å; F71-L84 HydrophobicContact CG-CD1 4.5Å; A73-L84 HydrophobicContact CB-CD1 4.28Å; F82-L84 PolarHBondContact O-N 2.95Å; L84-Y97 HydrophobicContact CD2-CD1 3.56Å; L84-Y97 HydrophobicContact CD2-CE1 4.14Å; L84-Y97 HydrophobicContact CD2-CG 4.11Å
85	Q	98.1	Very high	97.2	Very high	53 Å²	53	52.1 Å²	52.1	25%	0.248	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144	149.8	-180	40.4	-178.3	-56.9	0	0	111.1	F27 L28 F29 F71 E72	F27-Q85 HydrophobicContact CE2-CB 4.27Å; F27-Q85 HydrophobicContact CZ-CB 3.9Å; L28-Q85 WeakPolarHBondContact O-CA 3.16Å; F29-Q85 HydrophobicContact CD2-CB 4.34Å; F71-Q85 CarbonylContact C-O 3.59Å; F71-Q85 VanDerWaalsContact CA-O 3.31Å; F71-Q85 WeakPolarHBondContact CA-O 3.41Å; E72-Q85 HydrophobicContact CB-CG 4.22Å; E72-Q85 PolarHBondContact N-O 3.44Å; E72-Q85 VanDerWaalsContact O-CG 3.23Å; E72-Q85 WeakPolarHBondContact O-CG 3.41Å; E72-Q85 PolarHBondContact O-N 2.02Å
86	K	98.3	Very high	97.1	Very high	16 Å²	16	55.7 Å²	55.7	7%	0.07	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	131.2	173.5	177.9	162.3	-178.2	162.2	0	108.8	F27 L28 R69 F71 S88 D93	F27-K86 WeakPolarHBondContact CD2-O 3.28Å; L28-K86 HydrophobicContact CB-CB 4.12Å; L28-K86 HydrophobicContact CD2-CB 4.37Å; L28-K86 PolarHBondContact N-O 3.47Å; L28-K86 PolarHBondContact O-N 2.91Å; L28-K86 VanDerWaalsContact O-N 3.1Å; R69-K86 PolarHBondContact O-NZ 2.79Å; F71-K86 HydrophobicContact CD1-CB 3.81Å; F71-K86 HydrophobicContact CD1-CD 3.99Å; F71-K86 HydrophobicContact CD2-CD 4Å; F71-K86 HydrophobicContact CE1-CB 4Å; F71-K86 HydrophobicContact CE1-CD 3.71Å; F71-K86 HydrophobicContact CE2-CD 3.7Å; F71-K86 HydrophobicContact CG-CB 4.36Å; F71-K86 HydrophobicContact CG-CD 4.12Å; F71-K86 HydrophobicContact CZ-CD 3.53Å; K86-S88 VanDerWaalsContact C-N 3.33Å; K86-S88 WeakPolarHBondContact CE-O 3.44Å; K86-S88 PolarHBondContact O-N 3.07Å; K86-D93 WeakPolarHBondContact CD-OD2 3.24Å; K86-D93 WeakPolarHBondContact CE-OD2 3.48Å; K86-D93 IonicContact NZ-OD1 2.71Å; K86-D93 PolarHBondContact NZ-OD1 3.38Å; K86-D93 IonicContact NZ-OD2 2.85Å; K86-D93 PolarHBondContact NZ-OD2 2.72Å
87	T	98	Very high	97.1	Very high	113 Å²	113	54 Å²	54	69%	0.693	31%	0.314	S	S	*	.	S	Bend	trans	-67	-33.9	-172	49.3	0	0	0	0	113.8
88	S	97.8	Very high	97.2	Very high	37 Å²	37	54.3 Å²	54.3	26%	0.259	31%	0.314	S	S	.	.	S	Bend	trans	-147.8	108.2	-176.7	-179.1	0	0	0	0	108.3	N25 K86	N25-S88 WeakPolarHBondContact CA-OG 3.37Å; N25-S88 PolarHBondContact OD1-OG 2.91Å; K86-S88 VanDerWaalsContact C-N 3.33Å; K86-S88 WeakPolarHBondContact CE-O 3.44Å; K86-S88 PolarHBondContact O-N 3.07Å
89	V	97.8	Very high	97.3	Very high	13 Å²	13	51.2 Å²	51.2	8%	0.079	28%	0.281	C	S	.	.			trans	-77.2	149.2	174.8	-62.6	0	0	0	0	111.7	L22 S23 N25 D26 L28 D93	L22-V89 HydrophobicContact CB-CG2 4.08Å; L22-V89 HydrophobicContact CD1-CG1 4.2Å; L22-V89 HydrophobicContact CD1-CG2 4.37Å; S23-V89 VanDerWaalsContact O-CG2 3.26Å; S23-V89 WeakPolarHBondContact O-CG2 3.5Å; N25-V89 PolarHBondContact N-O 2.85Å; D26-V89 HydrophobicContact CB-CG2 4.19Å; D26-V89 WeakPolarHBondContact O-CG2 3.37Å; D26-V89 PolarHBondContact O-N 2.79Å; L28-V89 HydrophobicContact CB-CG1 3.52Å; L28-V89 HydrophobicContact CD2-CG1 4.44Å; L28-V89 HydrophobicContact CG-CG1 4.45Å; V89-D93 WeakPolarHBondContact CA-OD2 3.35Å
90	Q	97.3	Very high	97.3	Very high	93 Å²	93	48.9 Å²	48.9	44%	0.435	27%	0.27	S	S	.	.			trans	-122.8	162.4	171.7	-68.6	170.3	54.2	0	0	109.3	I92 D93	Q90-I92 HydrophobicContact CB-CG1 3.86Å; Q90-I92 PolarHBondContact O-N 3.42Å; Q90-D93 PolarHBondContact N-OD2 3.08Å; Q90-D93 VanDerWaalsContact O-CB 3.25Å; Q90-D93 WeakPolarHBondContact O-CB 3.33Å; Q90-D93 PolarHBondContact O-N 3Å
91	E	95.2	Very high	97.3	Very high	132 Å²	132	47.9 Å²	47.9	62%	0.617	26%	0.261	S	S	*	.	G	3₁₀ helix	trans	-51.9	-34.8	176.9	-70.9	-63.4	133	0	0	113	D93 S94	E91-D93 PolarHBondContact O-N 2.98Å; E91-D93 VanDerWaalsContact O-N 3.17Å; E91-S94 VanDerWaalsContact O-CB 3.23Å; E91-S94 WeakPolarHBondContact O-CB 3.45Å; E91-S94 PolarHBondContact O-N 2.8Å; E91-S94 VanDerWaalsContact O-N 3.09Å; E91-S94 PolarHBondContact O-OG 2.81Å
92	I	95	Very high	97.1	Very high	118 Å²	118	53.2 Å²	53.2	61%	0.605	30%	0.298	S	S	*	.	G	3₁₀ helix	trans	-65.4	-13.4	176.9	63.7	164.9	0	0	0	114.2	Y48 Q90 S94	Y48-I92 WeakPolarHBondContact CE1-O 2.96Å; Q90-I92 HydrophobicContact CB-CG1 3.86Å; Q90-I92 PolarHBondContact O-N 3.42Å; I92-S94 VanDerWaalsContact C-N 3.28Å
93	D	97.2	Very high	97	Very high	13 Å²	13	55.9 Å²	55.9	7%	0.07	31%	0.313	C	S	.	.	G	3₁₀ helix	trans	-84.7	-3.5	175.8	-62.7	-45.2	0	0	0	112.4	F71 K86 V89 Q90 E91 A95 Y97	F71-D93 WeakPolarHBondContact CE2-OD1 3.3Å; F71-D93 HydrophobicContact CZ-CB 4.02Å; F71-D93 WeakPolarHBondContact CZ-OD1 3.35Å; K86-D93 WeakPolarHBondContact CD-OD2 3.24Å; K86-D93 WeakPolarHBondContact CE-OD2 3.48Å; K86-D93 IonicContact NZ-OD1 2.71Å; K86-D93 PolarHBondContact NZ-OD1 3.38Å; K86-D93 IonicContact NZ-OD2 2.85Å; K86-D93 PolarHBondContact NZ-OD2 2.72Å; V89-D93 WeakPolarHBondContact CA-OD2 3.35Å; Q90-D93 PolarHBondContact N-OD2 3.08Å; Q90-D93 VanDerWaalsContact O-CB 3.25Å; Q90-D93 WeakPolarHBondContact O-CB 3.33Å; Q90-D93 PolarHBondContact O-N 3Å; E91-D93 PolarHBondContact O-N 2.98Å; E91-D93 VanDerWaalsContact O-N 3.17Å; D93-A95 PolarHBondContact O-N 2.79Å; D93-Y97 WeakPolarHBondContact O-CE2 3.28Å; D93-Y97 PolarHBondContact O-OH 2.88Å
94	S	96.3	Very high	97	Very high	79 Å²	79	56.5 Å²	56.5	55%	0.552	32%	0.319	S	S	*	.			trans	-65.2	101.2	176.2	-62.8	0	0	0	0	111.1	E91 I92	E91-S94 VanDerWaalsContact O-CB 3.23Å; E91-S94 WeakPolarHBondContact O-CB 3.45Å; E91-S94 PolarHBondContact O-N 2.8Å; E91-S94 VanDerWaalsContact O-N 3.09Å; E91-S94 PolarHBondContact O-OG 2.81Å; I92-S94 VanDerWaalsContact C-N 3.28Å
95	A	96.7	Very high	96.9	Very high	31 Å²	31	59.6 Å²	59.6	26%	0.256	34%	0.336	S	S	.	.	S	Bend	trans	-161.2	172.1	-175.7	0	0	0	0	0	111.2	V46 Q47 Y48 D93 Y97	V46-A95 HydrophobicContact CG2-CB 3.38Å; Q47-A95 WeakPolarHBondContact O-CB 3.23Å; Y48-A95 HydrophobicContact CD1-CB 3.7Å; Y48-A95 HydrophobicContact CE1-CB 3.9Å; Y48-A95 HydrophobicContact CG-CB 4.49Å; D93-A95 PolarHBondContact O-N 2.79Å; A95-Y97 HydrophobicContact CB-CE2 3.98Å; A95-Y97 WeakPolarHBondContact O-CD2 3.26Å; A95-Y97 WeakPolarHBondContact O-CE2 3.42Å
96	V	96.7	Very high	96.8	Very high	74 Å²	74	60 Å²	60	45%	0.448	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91	134.6	167.3	-170.9	0	0	0	0	109.3	V46 Q47 Y98	V46-V96 CarbonylContact C-O 3.54Å; V46-V96 WeakPolarHBondContact CA-O 3.46Å; Q47-V96 HydrophobicContact CB-CB 4.44Å; Q47-V96 PolarHBondContact N-O 2.76Å; Q47-V96 PolarHBondContact O-N 3.19Å; V96-Y98 HydrophobicContact CB-CE2 4.04Å; V96-Y98 HydrophobicContact CG1-CD2 4.4Å; V96-Y98 HydrophobicContact CG1-CE1 3.83Å; V96-Y98 HydrophobicContact CG1-CE2 3.69Å; V96-Y98 WeakPolarHBondContact CG1-OH 3.27Å
97	Y	97.4	Very high	96.7	Very high	20 Å²	20	62.8 Å²	62.8	8%	0.078	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	130.6	179.2	-63.7	-93.2	0	0	0	110.3	Q15 I30 Y45 V46 L56 F71 L84 D93 A95	Q15-Y97 PolarHBondContact NE2-O 2.94Å; I30-Y97 HydrophobicContact CD1-CD2 3.97Å; I30-Y97 HydrophobicContact CD1-CG 4.02Å; Y45-Y97 WeakPolarHBondContact O-CA 3.2Å; V46-Y97 HydrophobicContact CB-CD1 4.15Å; V46-Y97 HydrophobicContact CB-CE1 4.01Å; V46-Y97 HydrophobicContact CG2-CD1 4.01Å; V46-Y97 HydrophobicContact CG2-CE1 3.57Å; L56-Y97 HydrophobicContact CD2-CD1 4.03Å; L56-Y97 HydrophobicContact CD2-CE1 3.96Å; F71-Y97 HydrophobicContact CD1-CE1 4.37Å; F71-Y97 AromaticContact CE1-CE1 3.71Å; F71-Y97 HydrophobicContact CE1-CE1 3.71Å; F71-Y97 AromaticContact CE1-CZ 3.82Å; F71-Y97 HydrophobicContact CE2-CE1 4.48Å; F71-Y97 AromaticContact CZ-CE1 3.8Å; F71-Y97 HydrophobicContact CZ-CE1 3.8Å; F71-Y97 AromaticContact CZ-CZ 3.73Å; F71-Y97 WeakPolarHBondContact CZ-OH 3.42Å; L84-Y97 HydrophobicContact CD2-CD1 3.56Å; L84-Y97 HydrophobicContact CD2-CE1 4.14Å; L84-Y97 HydrophobicContact CD2-CG 4.11Å; D93-Y97 WeakPolarHBondContact O-CE2 3.28Å; D93-Y97 PolarHBondContact O-OH 2.88Å; A95-Y97 HydrophobicContact CB-CE2 3.98Å; A95-Y97 WeakPolarHBondContact O-CD2 3.26Å; A95-Y97 WeakPolarHBondContact O-CE2 3.42Å
98	Y	97.3	Very high	96.7	Very high	88 Å²	88	59.4 Å²	59.4	35%	0.345	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	126.2	-178.9	-57.5	-81	0	0	0	110.7	W44 Y45 Q47 V96	W44-Y98 CarbonylContact C-O 3.57Å; W44-Y98 WeakPolarHBondContact CA-O 3.31Å; W44-Y98 VanDerWaalsContact CE3-O 3.28Å; Y45-Y98 PolarHBondContact N-O 2.84Å; Y45-Y98 PolarHBondContact O-N 2.9Å; Q47-Y98 HydrophobicContact CB-CE2 3.79Å; Q47-Y98 PolarHBondContact OE1-OH 3.45Å; Q47-Y98 VanDerWaalsContact OE1-OH 3.08Å; V96-Y98 HydrophobicContact CB-CE2 4.04Å; V96-Y98 HydrophobicContact CG1-CD2 4.4Å; V96-Y98 HydrophobicContact CG1-CE1 3.83Å; V96-Y98 HydrophobicContact CG1-CE2 3.69Å; V96-Y98 WeakPolarHBondContact CG1-OH 3.27Å
99	C	97.9	Very high	96.6	Very high	7 Å²	7	61 Å²	61	5%	0.047	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	137.1	169.3	-167.7	0	0	0	0	109.5	Q15 C32 W44	Q15-C99 VanDerWaalsContact OE1-N 3.07Å; C32-C99 HydrophobicContact CB-CB 3.57Å; C32-C99 WeakPolarHBondContact CB-SG 3.25Å; C32-C99 WeakPolarHBondContact SG-CB 3.4Å; C32-C99 CovalentContact SG-SG 2.02Å; C32-C99 PolarHBondContact SG-SG 2.94Å; W44-C99 HydrophobicContact CD2-CB 4.26Å; W44-C99 HydrophobicContact CE3-CB 4.18Å; W44-C99 HydrophobicContact CH2-CB 3.7Å; W44-C99 HydrophobicContact CZ2-CB 3.77Å; W44-C99 HydrophobicContact CZ3-CB 3.9Å
100	A	97.5	Very high	96.5	Very high	30 Å²	30	64.7 Å²	64.7	25%	0.248	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.1	164.7	179	0	0	0	0	0	111.5	F43 Y45	F43-A100 HydrophobicContact CB-CB 4.38Å; F43-A100 PolarHBondContact N-O 3.1Å; F43-A100 PolarHBondContact O-N 2.83Å; Y45-A100 HydrophobicContact CD2-CB 4.32Å; Y45-A100 HydrophobicContact CE2-CB 4.11Å
101	M	95.8	Very high	96.4	Very high	42 Å²	42	62.3 Å²	62.3	21%	0.207	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.9	156.7	176	73.5	-177.2	-164.9	0	0	112.1	D11 V13 Y34 P40 T41 L42	D11-M101 HydrophobicContact CB-CE 3.37Å; V13-M101 HydrophobicContact CG1-CB 4Å; V13-M101 HydrophobicContact CG1-CG 3.73Å; V13-M101 HydrophobicContact CG1-SD 3.75Å; Y34-M101 HydrophobicContact CD2-SD 4.41Å; Y34-M101 HydrophobicContact CG-SD 4.45Å; P40-M101 HydrophobicContact CB-CB 4.08Å; T41-M101 CarbonylContact O-C 3.52Å; T41-M101 VanDerWaalsContact O-CA 3.23Å; T41-M101 WeakPolarHBondContact O-CA 3.42Å; L42-M101 HydrophobicContact CD2-CB 3.62Å
102	S	94.1	Very high	96.5	Very high	114 Å²	114	56 Å²	56	80%	0.797	33%	0.332	S	S	*	.			trans	-139.6	0	174	71.7	0	0	0	0	112.2	P40 T41 F43	P40-S102 CarbonylContact C-O 3.6Å; P40-S102 WeakPolarHBondContact CA-O 3.38Å; T41-S102 PolarHBondContact N-O 3.28Å; T41-S102 PolarHBondContact O-N 2.94Å; F43-S102 WeakPolarHBondContact CE2-OG 3.36Å

Retrieved 102 of 102 residues in 139.3 ms (Link to these results)

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