A0A075B661_MOUSE Loading...

T cell receptor delta variable 5

AlphaFold DB , UniProt , Accession A0A075B661, Species MOUSE (Mus musculus, Mouse), Gene Trdv5, Length 115 aa.

						>A0A075B661_MOUSE|A0A075B661|Trdv5
MILAATLTLLFAYKDVLCITLTQSSTDQTVASGTEVTLLCTYNADSPNPDLFWYRKRPDRSFQFILYRDDTSSHDADFVQGRFSVKHSKANRTFHLVISPVSLEDSATYYCASGY
					

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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	M	57.8	Low	58.8	Low	220 Å²	220	115.6 Å²	115.6	100%	1.084	63%	0.632	S	S	*	*				0	-36.9	0	-66.4	178.3	72.2	0	0	113.2
2	I	60.6	Low	58.7	Low	142 Å²	142	112.1 Å²	112.1	73%	0.728	63%	0.63	S	S	*	*	H	α-helix	trans	-68.5	-39.2	-174.1	-55.4	168.5	0	0	0	113.6	A4 A5 T6	I2-A4 VanDerWaalsContact C-N 3.3Å; I2-A4 PolarHBondContact O-N 3.29Å; I2-A5 PolarHBondContact O-N 2.82Å; I2-T6 PolarHBondContact O-N 2.87Å
3	L	59.8	Low	58.6	Low	149 Å²	149	118 Å²	118	78%	0.78	64%	0.638	S	S	*	*	H	α-helix	trans	-63.6	-30.9	179.5	-70.3	165.9	0	0	0	113.9	T6 L7	L3-T6 PolarHBondContact O-OG1 2.92Å; L3-L7 WeakPolarHBondContact O-CB 3.38Å; L3-L7 PolarHBondContact O-N 2.91Å
4	A	60.2	Low	58.3	Low	66 Å²	66	120.1 Å²	120.1	55%	0.545	64%	0.638	S	S	.	*	H	α-helix	trans	-72.9	-37.5	177.9	0	0	0	0	0	111.4	I2 L7 T8	I2-A4 VanDerWaalsContact C-N 3.3Å; I2-A4 PolarHBondContact O-N 3.29Å; A4-L7 PolarHBondContact O-N 2.97Å; A4-T8 PolarHBondContact O-N 2.87Å; A4-T8 PolarHBondContact O-OG1 3.17Å
5	A	58.5	Low	58.2	Low	49 Å²	49	120.4 Å²	120.4	41%	0.405	64%	0.64	S	S	.	*	H	α-helix	trans	-67.4	-39.2	178.6	0	0	0	0	0	112.4	I2 T8 L9	I2-A5 PolarHBondContact O-N 2.82Å; A5-T8 WeakPolarHBondContact CA-OG1 3.42Å; A5-T8 PolarHBondContact O-OG1 3.46Å; A5-L9 WeakPolarHBondContact O-CB 3.37Å; A5-L9 WeakPolarHBondContact O-CD1 3.46Å; A5-L9 PolarHBondContact O-N 3.39Å
6	T	58.1	Low	58.5	Low	71 Å²	71	119.6 Å²	119.6	44%	0.436	64%	0.641	S	S	.	*	H	α-helix	trans	-69.3	-37.1	174.5	52.8	0	0	0	0	111.7	I2 L3 L9 L10	I2-T6 PolarHBondContact O-N 2.87Å; L3-T6 PolarHBondContact O-OG1 2.92Å; T6-L9 PolarHBondContact O-N 2.81Å; T6-L10 WeakPolarHBondContact O-CG 3.28Å; T6-L10 PolarHBondContact O-N 3.24Å
7	L	58.1	Low	58.9	Low	91 Å²	91	118.2 Å²	118.2	48%	0.476	63%	0.633	S	S	.	*	H	α-helix	trans	-68.2	-40.8	177.2	-173.5	62.5	0	0	0	112	L3 A4 L9 L10 F11	L3-L7 WeakPolarHBondContact O-CB 3.38Å; L3-L7 PolarHBondContact O-N 2.91Å; A4-L7 PolarHBondContact O-N 2.97Å; L7-L9 VanDerWaalsContact C-N 3.34Å; L7-L10 PolarHBondContact O-N 3.22Å; L7-F11 HydrophobicContact CD1-CD2 4.09Å; L7-F11 HydrophobicContact CD1-CE2 3.43Å; L7-F11 VanDerWaalsContact CD1-CE2 3.43Å; L7-F11 HydrophobicContact CD1-CZ 4.01Å; L7-F11 HydrophobicContact CD2-CE2 4.08Å; L7-F11 HydrophobicContact CG-CD2 3.93Å; L7-F11 HydrophobicContact CG-CE2 3.48Å; L7-F11 VanDerWaalsContact CG-CE2 3.48Å; L7-F11 HydrophobicContact CG-CZ 4.47Å; L7-F11 WeakPolarHBondContact O-CD2 3.38Å; L7-F11 PolarHBondContact O-N 3.27Å; L7-F11 VanDerWaalsContact O-N 3.07Å
8	T	59.5	Low	59.9	Low	92 Å²	92	115.7 Å²	115.7	56%	0.564	63%	0.625	S	S	*	*	H	α-helix	trans	-64.6	-35.5	170.9	40.2	0	0	0	0	112.6	A4 A5 F11 A12	A4-T8 PolarHBondContact O-N 2.87Å; A4-T8 PolarHBondContact O-OG1 3.17Å; A5-T8 WeakPolarHBondContact CA-OG1 3.42Å; A5-T8 PolarHBondContact O-OG1 3.46Å; T8-F11 PolarHBondContact O-N 3.04Å; T8-A12 WeakPolarHBondContact O-CB 3.28Å; T8-A12 PolarHBondContact O-N 3.26Å
9	L	58.3	Low	61.4	Low	128 Å²	128	110.9 Å²	110.9	67%	0.67	60%	0.599	S	S	*	*	H	α-helix	trans	-65.1	-38.3	173.1	-104	127.7	0	0	0	112.8	A5 T6 L7 A12 Y13	A5-L9 WeakPolarHBondContact O-CB 3.37Å; A5-L9 WeakPolarHBondContact O-CD1 3.46Å; A5-L9 PolarHBondContact O-N 3.39Å; T6-L9 PolarHBondContact O-N 2.81Å; L7-L9 VanDerWaalsContact C-N 3.34Å; L9-A12 PolarHBondContact O-N 3.22Å; L9-Y13 PolarHBondContact O-N 2.93Å
10	L	56.6	Low	62.9	Low	127 Å²	127	108.9 Å²	108.9	67%	0.665	59%	0.591	S	S	*	*	H	α-helix	trans	-69.6	-33.5	175.9	-70.9	169.7	0	0	0	112.7	T6 L7 A12	T6-L10 WeakPolarHBondContact O-CG 3.28Å; T6-L10 PolarHBondContact O-N 3.24Å; L7-L10 PolarHBondContact O-N 3.22Å; L10-A12 VanDerWaalsContact C-N 3.32Å
11	F	59	Low	64.5	Low	137 Å²	137	106 Å²	106	60%	0.601	57%	0.574	S	S	*	*	H	α-helix	trans	-76	-20.2	172.7	-70.5	-60	0	0	0	113.3	L7 T8	L7-F11 HydrophobicContact CD1-CD2 4.09Å; L7-F11 HydrophobicContact CD1-CE2 3.43Å; L7-F11 VanDerWaalsContact CD1-CE2 3.43Å; L7-F11 HydrophobicContact CD1-CZ 4.01Å; L7-F11 HydrophobicContact CD2-CE2 4.08Å; L7-F11 HydrophobicContact CG-CD2 3.93Å; L7-F11 HydrophobicContact CG-CE2 3.48Å; L7-F11 VanDerWaalsContact CG-CE2 3.48Å; L7-F11 HydrophobicContact CG-CZ 4.47Å; L7-F11 WeakPolarHBondContact O-CD2 3.38Å; L7-F11 PolarHBondContact O-N 3.27Å; L7-F11 VanDerWaalsContact O-N 3.07Å; T8-F11 PolarHBondContact O-N 3.04Å
12	A	57.7	Low	66.4	Low	73 Å²	73	99.2 Å²	99.2	60%	0.603	55%	0.546	S	S	*	.	H	α-helix	trans	-85	-20.4	179.3	0	0	0	0	0	114.1	T8 L9 L10 K14	T8-A12 WeakPolarHBondContact O-CB 3.28Å; T8-A12 PolarHBondContact O-N 3.26Å; L9-A12 PolarHBondContact O-N 3.22Å; L10-A12 VanDerWaalsContact C-N 3.32Å; A12-K14 PolarHBondContact O-N 3.17Å
13	Y	57.5	Low	68.1	Low	189 Å²	189	95.6 Å²	95.6	74%	0.741	53%	0.526	S	S	*	.			trans	-83.4	52.9	171.2	-159.1	-97.8	0	0	0	111.3	L9	L9-Y13 PolarHBondContact O-N 2.93Å
14	K	54.1	Low	69.5	Low	147 Å²	147	92.3 Å²	92.3	64%	0.639	52%	0.515	S	S	*	.			trans	-115.1	68.6	161.5	-71.4	-174.2	180	174.8	0	106.4	A12 V16	A12-K14 PolarHBondContact O-N 3.17Å; K14-V16 HydrophobicContact CB-CG2 4.24Å; K14-V16 PolarHBondContact O-N 2.9Å
15	D	57.5	Low	70.5	Confident	125 Å²	125	90.8 Å²	90.8	67%	0.668	50%	0.501	S	S	*	.			trans	-61.1	81	151.1	-68.3	-36.2	0	0	0	105.7	L17	D15-L17 PolarHBondContact O-N 2.8Å
16	V	63.4	Low	71.6	Confident	108 Å²	108	93.8 Å²	93.8	66%	0.655	51%	0.514	S	S	*	.			trans	-65.2	99.1	167.2	172.7	0	0	0	0	103.4	K14 C18	K14-V16 HydrophobicContact CB-CG2 4.24Å; K14-V16 PolarHBondContact O-N 2.9Å; V16-C18 PolarHBondContact O-N 3.44Å
17	L	65.4	Low	73.1	Confident	96 Å²	96	98.2 Å²	98.2	50%	0.503	54%	0.535	S	S	.	.			trans	-48	118.1	165.9	-64.9	165.9	0	0	0	105.2	D15 D45 Y115	D15-L17 PolarHBondContact O-N 2.8Å; L17-D45 HydrophobicContact CD2-CB 4.08Å; L17-Y115 HydrophobicContact CB-CD1 4.42Å; L17-Y115 HydrophobicContact CB-CE1 3.45Å; L17-Y115 VanDerWaalsContact CB-CE1 3.45Å; L17-Y115 HydrophobicContact CB-CE2 4.44Å; L17-Y115 VanDerWaalsContact CB-CZ 3.49Å; L17-Y115 WeakPolarHBondContact CB-OH 3.38Å; L17-Y115 HydrophobicContact CD1-CD1 4.3Å; L17-Y115 HydrophobicContact CD1-CE1 4.01Å; L17-Y115 HydrophobicContact CG-CE1 4.31Å; L17-Y115 PolarHBondContact O-OH 3.04Å
18	C	76.7	Confident	74.7	Confident	73 Å²	73	98.3 Å²	98.3	49%	0.493	53%	0.533	S	S	.	.			trans	-118.7	124.4	-179.2	-173.3	0	0	0	0	108.3	V16 D45 Y115	V16-C18 PolarHBondContact O-N 3.44Å; C18-D45 PolarHBondContact N-OD2 2.82Å; C18-Y115 WeakPolarHBondContact CA-OH 3.36Å; C18-Y115 PolarHBondContact N-OH 3.33Å; C18-Y115 VanDerWaalsContact N-OH 3.16Å
19	I	87.3	Confident	76.4	Confident	25 Å²	25	101 Å²	101	13%	0.128	55%	0.55	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	123.3	167.8	-62.6	155.3	0	0	0	107.4	L21 N43 A44 P49 S113 G114 Y115	I19-L21 HydrophobicContact CG2-CD2 4.31Å; I19-L21 HydrophobicContact CG2-CG 4.5Å; I19-N43 CarbonylContact C-O 3.51Å; I19-N43 WeakPolarHBondContact CA-O 3.44Å; I19-A44 HydrophobicContact CB-CB 4.41Å; I19-A44 HydrophobicContact CG1-CB 3.67Å; I19-A44 HydrophobicContact CG2-CB 4.18Å; I19-P49 HydrophobicContact CD1-CB 3.79Å; I19-P49 HydrophobicContact CG1-CB 4.35Å; I19-S113 WeakPolarHBondContact CB-OG 3.35Å; I19-S113 WeakPolarHBondContact CG2-OG 3.44Å; I19-G114 WeakPolarHBondContact CD1-O 3.04Å; I19-Y115 HydrophobicContact CD1-CD1 4.37Å; I19-Y115 HydrophobicContact CD1-CE1 3.75Å; I19-Y115 HydrophobicContact CD1-CE2 4.11Å; I19-Y115 HydrophobicContact CG1-CE1 4.31Å; I19-Y115 VanDerWaalsContact CG1-OH 3.31Å; I19-Y115 WeakPolarHBondContact CG1-OH 3.4Å; I19-Y115 PolarHBondContact N-OH 2.67Å
20	T	93	Very high	78.1	Confident	70 Å²	70	98.1 Å²	98.1	43%	0.429	54%	0.537	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	132.1	173.1	-56	0	0	0	0	109.2	Y42 N43	T20-Y42 CarbonylContact O-C 3.52Å; T20-Y42 VanDerWaalsContact O-CA 3.3Å; T20-Y42 WeakPolarHBondContact O-CA 3.47Å; T20-N43 PolarHBondContact N-O 3.4Å; T20-N43 PolarHBondContact O-N 2.9Å
21	L	95.3	Very high	80	Confident	47 Å²	47	95.1 Å²	95.1	25%	0.246	53%	0.531	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	141.8	173.9	-61.9	172.6	0	0	0	109.8	I19 T41 Y42 L51 C111	I19-L21 HydrophobicContact CG2-CD2 4.31Å; I19-L21 HydrophobicContact CG2-CG 4.5Å; L21-T41 WeakPolarHBondContact CA-O 3.44Å; L21-Y42 VanDerWaalsContact CD2-CB 3.46Å; L21-L51 HydrophobicContact CD2-CD2 4.18Å; L21-C111 WeakPolarHBondContact CD1-O 3.45Å
22	T	97	Very high	81.8	Confident	79 Å²	79	92.6 Å²	92.6	49%	0.485	53%	0.53	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	119.6	176.5	-55.1	0	0	0	0	109.1	C40 T41	T22-C40 WeakPolarHBondContact O-CA 3.44Å; T22-T41 WeakPolarHBondContact CB-OG1 3.32Å; T22-T41 PolarHBondContact N-O 3.39Å; T22-T41 PolarHBondContact O-N 2.96Å; T22-T41 PolarHBondContact O-OG1 3.35Å
23	Q	97.1	Very high	83.7	Confident	66 Å²	66	91.6 Å²	91.6	31%	0.308	53%	0.527	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	123	172.8	-69.5	-178.9	-114.1	0	0	108.9	L39 C40 W53 Y109 C111	Q23-L39 WeakPolarHBondContact CA-O 3.37Å; Q23-C40 HydrophobicContact CG-CB 4.3Å; Q23-W53 HydrophobicContact CG-CH2 4.47Å; Q23-Y109 PolarHBondContact NE2-O 2.91Å; Q23-C111 HydrophobicContact CG-CB 3.91Å
24	S	90.2	Very high	85.6	Confident	79 Å²	79	85.2 Å²	85.2	55%	0.552	51%	0.508	S	S	*	.			trans	-102.7	-0.6	178.7	55.8	0	0	0	0	113.3	T26 L39	S24-T26 PolarHBondContact O-N 3.5Å; S24-L39 WeakPolarHBondContact OG-CB 3.3Å
25	S	79.8	Confident	87.7	Confident	35 Å²	35	83.5 Å²	83.5	25%	0.245	50%	0.502	C	S	.	.			trans	-68.8	113	174.8	52.8	0	0	0	0	110.2
26	T	82	Confident	89.5	Confident	112 Å²	112	78.4 Å²	78.4	69%	0.687	48%	0.475	S	S	*	.			trans	-73.2	177.6	164.9	58.8	0	0	0	0	110.3	S24 Q28	S24-T26 PolarHBondContact O-N 3.5Å; T26-Q28 WeakPolarHBondContact O-CG 3.38Å; T26-Q28 PolarHBondContact O-N 3.4Å
27	D	89.6	Confident	91.1	Very high	164 Å²	164	75 Å²	75	88%	0.877	46%	0.455	S	S	*	.			trans	-53.6	129.9	166.7	-64.9	-27.7	0	0	0	109.9
28	Q	91.2	Very high	92.7	Very high	92 Å²	92	71.2 Å²	71.2	43%	0.43	44%	0.435	S	S	.	.			trans	-123.3	129	-177.8	-73.1	176.7	-4.3	0	0	109.3	T26 V30	T26-Q28 WeakPolarHBondContact O-CG 3.38Å; T26-Q28 PolarHBondContact O-N 3.4Å; Q28-V30 HydrophobicContact CB-CG1 4.5Å
29	T	95.2	Very high	93.7	Very high	150 Å²	150	71 Å²	71	92%	0.92	43%	0.428	S	S	*	.			trans	-108.2	116	168.4	-58.8	0	0	0	0	107.6
30	V	95	Very high	94.2	Very high	66 Å²	66	69.8 Å²	69.8	40%	0.4	42%	0.422	S	S	.	.			trans	-126.2	154.6	-177.5	-61.2	0	0	0	0	110.1	Q28 V36 V101	Q28-V30 HydrophobicContact CB-CG1 4.5Å; V30-V36 HydrophobicContact CG1-CG2 4.22Å; V30-V101 HydrophobicContact CG2-CB 4.43Å; V30-V101 HydrophobicContact CG2-CG1 3.94Å; V30-V101 HydrophobicContact CG2-CG2 4.33Å
31	A	96.3	Very high	94.4	Very high	64 Å²	64	69.1 Å²	69.1	53%	0.529	42%	0.418	S	S	.	.			trans	-77	144.8	176.6	0	0	0	0	0	110.7	G33 T34	A31-G33 PolarHBondContact O-N 2.68Å; A31-T34 HydrophobicContact CB-CG2 3.98Å; A31-T34 PolarHBondContact O-N 2.83Å; A31-T34 PolarHBondContact O-OG1 3.07Å
32	S	96.4	Very high	94.4	Very high	85 Å²	85	67.3 Å²	67.3	59%	0.594	41%	0.408	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57	140.3	170.4	-173.3	0	0	0	0	110.1	V101	S32-V101 PolarHBondContact OG-O 2.77Å
33	G	97.5	Very high	94.2	Very high	51 Å²	51	68.1 Å²	68.1	53%	0.526	41%	0.409	S	S	.	.	T	Hydrogen-bonded Turn	trans	90.1	-9.2	-178.1	0	0	0	0	0	115.2	A31 V101	A31-G33 PolarHBondContact O-N 2.68Å; G33-V101 PolarHBondContact N-O 3Å
34	T	97.7	Very high	93.8	Very high	56 Å²	56	65 Å²	65	34%	0.344	40%	0.395	S	S	.	.			trans	-85.2	168.8	177.8	65.9	0	0	0	0	112.5	A31 V101	A31-T34 HydrophobicContact CB-CG2 3.98Å; A31-T34 PolarHBondContact O-N 2.83Å; A31-T34 PolarHBondContact O-OG1 3.07Å; T34-V101 WeakPolarHBondContact O-CG2 3.44Å; T34-V101 PolarHBondContact O-N 3.16Å
35	E	97.5	Very high	93.6	Very high	111 Å²	111	66.5 Å²	66.5	52%	0.519	40%	0.397	S	S	.	.			trans	-89.3	139.4	165.5	177.7	172.2	123.7	0	0	110.2	K86 V97 I98	E35-K86 IonicContact OE1-NZ 3.79Å; E35-V97 HydrophobicContact CG-CG1 3.8Å; E35-I98 WeakPolarHBondContact CA-O 3.34Å
36	V	96.3	Very high	93.8	Very high	17 Å²	17	66.8 Å²	66.8	10%	0.103	40%	0.399	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	144.3	167.5	70.4	0	0	0	0	110	V30 L38 V97 I98 V101	V30-V36 HydrophobicContact CG1-CG2 4.22Å; V36-L38 HydrophobicContact CG2-CD2 4.46Å; V36-V97 WeakPolarHBondContact O-CA 3.33Å; V36-I98 HydrophobicContact CG1-CB 3.89Å; V36-I98 HydrophobicContact CG1-CD1 4.32Å; V36-I98 HydrophobicContact CG1-CG1 4.32Å; V36-I98 PolarHBondContact N-O 3.43Å; V36-I98 PolarHBondContact O-N 3.31Å; V36-V101 HydrophobicContact CB-CG2 4.06Å; V36-V101 HydrophobicContact CG1-CG2 3.44Å; V36-V101 VanDerWaalsContact CG1-CG2 3.44Å
37	T	97.2	Very high	93.8	Very high	38 Å²	38	66 Å²	66	23%	0.233	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	120.7	173.6	-61	0	0	0	0	109.6	L39 H95 L96 V97	T37-L39 HydrophobicContact CG2-CD2 3.97Å; T37-H95 HydrophobicContact CG2-CB 3.82Å; T37-L96 CarbonylContact C-O 3.58Å; T37-L96 WeakPolarHBondContact CA-O 3.1Å; T37-V97 HydrophobicContact CG2-CG2 4.2Å
38	L	97.9	Very high	93.5	Very high	16 Å²	16	60.7 Å²	60.7	8%	0.084	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	122.4	173.5	-55	179.9	0	0	0	109.5	V36 W53 H95 L96 Y109	V36-L38 HydrophobicContact CG2-CD2 4.46Å; L38-W53 HydrophobicContact CB-CH2 3.89Å; L38-W53 HydrophobicContact CB-CZ2 4.39Å; L38-W53 HydrophobicContact CB-CZ3 4.43Å; L38-W53 HydrophobicContact CD1-CZ3 4.49Å; L38-H95 CarbonylContact O-C 3.46Å; L38-H95 VanDerWaalsContact O-CA 3.24Å; L38-H95 WeakPolarHBondContact O-CA 3.36Å; L38-H95 WeakPolarHBondContact O-CB 3.26Å; L38-L96 HydrophobicContact CB-CB 4.31Å; L38-L96 HydrophobicContact CD1-CD2 4.25Å; L38-L96 PolarHBondContact N-O 3.3Å; L38-L96 PolarHBondContact O-N 2.65Å; L38-Y109 VanDerWaalsContact CD1-CB 3.42Å; L38-Y109 HydrophobicContact CD1-CD1 3.85Å; L38-Y109 HydrophobicContact CD1-CD2 3.62Å; L38-Y109 HydrophobicContact CD1-CE2 4.36Å; L38-Y109 HydrophobicContact CD1-CG 3.34Å
39	L	97.8	Very high	93.5	Very high	67 Å²	67	56.6 Å²	56.6	35%	0.351	35%	0.349	S	S	.	.			trans	-88	125	-172.9	-56.5	178.3	0	0	0	110.5	Q23 S24 T37 H95	Q23-L39 WeakPolarHBondContact CA-O 3.37Å; S24-L39 WeakPolarHBondContact OG-CB 3.3Å; T37-L39 HydrophobicContact CG2-CD2 3.97Å; L39-H95 HydrophobicContact CD2-CB 4.45Å
40	C	97.6	Very high	93.5	Very high	0 Å²	0	51.1 Å²	51.1	0%	0	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	131.7	167	177.8	0	0	0	0	110.1	T22 Q23 W53 F94 H95 C111	T22-C40 WeakPolarHBondContact O-CA 3.44Å; Q23-C40 HydrophobicContact CG-CB 4.3Å; C40-W53 HydrophobicContact CB-CH2 4Å; C40-W53 HydrophobicContact CB-CZ2 3.44Å; C40-W53 VanDerWaalsContact CB-CZ2 3.44Å; C40-F94 PolarHBondContact O-N 2.81Å; C40-H95 PolarHBondContact N-ND1 2.85Å; C40-H95 VanDerWaalsContact N-ND1 3.11Å; C40-H95 PolarHBondContact O-CE1 3.19Å; C40-H95 PolarHBondContact O-ND1 2.82Å; C40-C111 HydrophobicContact CB-CB 3.53Å; C40-C111 WeakPolarHBondContact CB-SG 3.39Å; C40-C111 WeakPolarHBondContact SG-CB 3.48Å; C40-C111 CovalentContact SG-SG 2.03Å; C40-C111 PolarHBondContact SG-SG 3.19Å
41	T	97.2	Very high	93.6	Very high	56 Å²	56	48 Å²	48	34%	0.344	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	148.5	168.1	61.3	0	0	0	0	109.1	L21 T22 R92 T93	L21-T41 WeakPolarHBondContact CA-O 3.44Å; T22-T41 WeakPolarHBondContact CB-OG1 3.32Å; T22-T41 PolarHBondContact N-O 3.39Å; T22-T41 PolarHBondContact O-N 2.96Å; T22-T41 PolarHBondContact O-OG1 3.35Å; T41-R92 CarbonylContact C-O 3.52Å; T41-R92 WeakPolarHBondContact CA-O 3.11Å; T41-T93 HydrophobicContact CG2-CG2 4.06Å
42	Y	94.8	Very high	93.6	Very high	9 Å²	9	46.8 Å²	46.8	4%	0.035	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	150.9	178.1	66	-90.3	0	0	0	110.7	T20 L21 A44 P49 L51 R92 F94	T20-Y42 CarbonylContact O-C 3.52Å; T20-Y42 VanDerWaalsContact O-CA 3.3Å; T20-Y42 WeakPolarHBondContact O-CA 3.47Å; L21-Y42 VanDerWaalsContact CD2-CB 3.46Å; Y42-A44 HydrophobicContact CD2-CB 4.17Å; Y42-P49 HydrophobicContact CD2-CG 3.62Å; Y42-P49 HydrophobicContact CE2-CG 3.42Å; Y42-P49 VanDerWaalsContact CE2-CG 3.42Å; Y42-P49 HydrophobicContact CG-CG 4.46Å; Y42-L51 HydrophobicContact CD1-CD1 3.65Å; Y42-L51 HydrophobicContact CD1-CD2 4.14Å; Y42-L51 HydrophobicContact CE1-CD1 3.47Å; Y42-L51 VanDerWaalsContact CE1-CD1 3.47Å; Y42-L51 HydrophobicContact CG-CD1 4.27Å; Y42-L51 HydrophobicContact CG-CD2 4.11Å; Y42-R92 HydrophobicContact CD1-CB 4.27Å; Y42-R92 WeakPolarHBondContact CD1-O 3.47Å; Y42-R92 HydrophobicContact CD2-CB 4.14Å; Y42-R92 HydrophobicContact CE1-CB 4.1Å; Y42-R92 HydrophobicContact CE2-CB 3.97Å; Y42-R92 HydrophobicContact CE2-CG 4.11Å; Y42-R92 HydrophobicContact CG-CB 4.29Å; Y42-R92 PolarHBondContact N-O 3.41Å; Y42-R92 WeakPolarHBondContact O-CB 3.46Å; Y42-R92 WeakPolarHBondContact O-CD 3.3Å; Y42-F94 HydrophobicContact CD1-CB 4.39Å
43	N	93.7	Very high	93.7	Very high	96 Å²	96	42.7 Å²	42.7	51%	0.513	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	125.5	165.8	-174.7	44.1	0	0	0	107.6	I19 T20	I19-N43 CarbonylContact C-O 3.51Å; I19-N43 WeakPolarHBondContact CA-O 3.44Å; T20-N43 PolarHBondContact N-O 3.4Å; T20-N43 PolarHBondContact O-N 2.9Å
44	A	89.5	Confident	93.7	Very high	2 Å²	2	43.6 Å²	43.6	2%	0.017	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.9	141.1	-169.7	0	0	0	0	0	109.2	I19 Y42 S46 P49 R92	I19-A44 HydrophobicContact CB-CB 4.41Å; I19-A44 HydrophobicContact CG1-CB 3.67Å; I19-A44 HydrophobicContact CG2-CB 4.18Å; Y42-A44 HydrophobicContact CD2-CB 4.17Å; A44-S46 VanDerWaalsContact C-N 3.32Å; A44-P49 HydrophobicContact CB-CB 4.07Å; A44-P49 HydrophobicContact CB-CG 3.95Å; A44-R92 PolarHBondContact O-NH2 2.83Å
45	D	86.1	Confident	93.7	Very high	110 Å²	110	41.3 Å²	41.3	59%	0.588	22%	0.222	S	C	*	.	S	Bend	trans	-66.9	-38.5	171.5	-57.2	-41.9	0	0	0	110.8	L17 C18	L17-D45 HydrophobicContact CD2-CB 4.08Å; C18-D45 PolarHBondContact N-OD2 2.82Å
46	S	83.7	Confident	93.6	Very high	41 Å²	41	40.2 Å²	40.2	29%	0.287	22%	0.216	S	C	.	.	S	Bend	trans	-67.5	135	172.4	178.5	0	0	0	0	110.7	A44 N48	A44-S46 VanDerWaalsContact C-N 3.32Å; S46-N48 PolarHBondContact O-N 2.81Å; S46-N48 PolarHBondContact OG-N 3.3Å; S46-N48 VanDerWaalsContact OG-N 3.14Å; S46-N48 PolarHBondContact OG-O 3.23Å
47	P	80.9	Confident	93.5	Very high	94 Å²	94	41.6 Å²	41.6	61%	0.61	22%	0.219	S	C	*	.	S	Bend	trans	-67.5	-22.2	171.5	28.8	-34.6	0	0	0	112.6
48	N	84.2	Confident	93.2	Very high	53 Å²	53	44.7 Å²	44.7	28%	0.283	24%	0.24	S	C	.	.	S	Bend	trans	-129.5	70.7	-174.3	-61.5	-27	0	0	0	109.6	S46 D70 K89	S46-N48 PolarHBondContact O-N 2.81Å; S46-N48 PolarHBondContact OG-N 3.3Å; S46-N48 VanDerWaalsContact OG-N 3.14Å; S46-N48 PolarHBondContact OG-O 3.23Å; N48-D70 HydrophobicContact CB-CB 4.05Å; N48-D70 WeakPolarHBondContact ND2-CB 3.39Å; N48-D70 PolarHBondContact ND2-OD2 3.04Å; N48-K89 PolarHBondContact OD1-NZ 2.78Å
49	P	91.6	Very high	92.6	Very high	6 Å²	6	52.1 Å²	52.1	4%	0.039	28%	0.279	C	S	.	.			trans	-71.9	147.7	173	30.8	-32.5	0	0	0	110.3	I19 Y42 A44 L51	I19-P49 HydrophobicContact CD1-CB 3.79Å; I19-P49 HydrophobicContact CG1-CB 4.35Å; Y42-P49 HydrophobicContact CD2-CG 3.62Å; Y42-P49 HydrophobicContact CE2-CG 3.42Å; Y42-P49 VanDerWaalsContact CE2-CG 3.42Å; Y42-P49 HydrophobicContact CG-CG 4.46Å; A44-P49 HydrophobicContact CB-CB 4.07Å; A44-P49 HydrophobicContact CB-CG 3.95Å; P49-L51 HydrophobicContact CB-CD2 4.49Å; P49-L51 HydrophobicContact CG-CD1 4.28Å; P49-L51 HydrophobicContact CG-CD2 4.25Å; P49-L51 HydrophobicContact CG-CG 4.17Å; P49-L51 PolarHBondContact O-N 3.42Å
50	D	94.1	Very high	92.1	Very high	35 Å²	35	57 Å²	57	19%	0.187	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.2	119.2	168.1	-76.8	5.7	0	0	0	108.9	F52 Y67 S113 G114	D50-F52 HydrophobicContact CB-CE2 3.78Å; D50-F52 HydrophobicContact CB-CZ 4.22Å; D50-Y67 HydrophobicContact CB-CE2 3.72Å; D50-Y67 PolarHBondContact OD1-OH 2.93Å; D50-Y67 PolarHBondContact OD2-OH 3.11Å; D50-S113 CarbonylContact O-C 3.58Å; D50-S113 WeakPolarHBondContact O-CA 3.32Å; D50-S113 WeakPolarHBondContact O-CB 3.33Å; D50-G114 PolarHBondContact O-N 3.24Å
51	L	97.2	Very high	91.8	Very high	0 Å²	0	61.9 Å²	61.9	0%	0	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	134.3	-174.3	-66	169.2	0	0	0	111.6	L21 Y42 P49 Y67 R68 F94	L21-L51 HydrophobicContact CD2-CD2 4.18Å; Y42-L51 HydrophobicContact CD1-CD1 3.65Å; Y42-L51 HydrophobicContact CD1-CD2 4.14Å; Y42-L51 HydrophobicContact CE1-CD1 3.47Å; Y42-L51 VanDerWaalsContact CE1-CD1 3.47Å; Y42-L51 HydrophobicContact CG-CD1 4.27Å; Y42-L51 HydrophobicContact CG-CD2 4.11Å; P49-L51 HydrophobicContact CB-CD2 4.49Å; P49-L51 HydrophobicContact CG-CD1 4.28Å; P49-L51 HydrophobicContact CG-CD2 4.25Å; P49-L51 HydrophobicContact CG-CG 4.17Å; P49-L51 PolarHBondContact O-N 3.42Å; L51-Y67 CarbonylContact O-C 3.55Å; L51-Y67 VanDerWaalsContact O-CA 3.26Å; L51-Y67 WeakPolarHBondContact O-CA 3.32Å; L51-Y67 WeakPolarHBondContact O-CD2 2.96Å; L51-R68 PolarHBondContact N-O 2.03Å; L51-R68 PolarHBondContact O-N 2.92Å; L51-F94 HydrophobicContact CB-CD1 3.76Å; L51-F94 HydrophobicContact CB-CD2 4.03Å; L51-F94 HydrophobicContact CB-CE1 3.66Å; L51-F94 HydrophobicContact CB-CE2 3.96Å; L51-F94 HydrophobicContact CB-CG 3.94Å; L51-F94 HydrophobicContact CB-CZ 3.76Å; L51-F94 HydrophobicContact CD1-CB 4.02Å; L51-F94 HydrophobicContact CD1-CD1 4.49Å; L51-F94 HydrophobicContact CD1-CD2 3.8Å; L51-F94 HydrophobicContact CD1-CE2 4.38Å; L51-F94 HydrophobicContact CD1-CG 3.87Å; L51-F94 HydrophobicContact CG-CG 4.44Å
52	F	97.9	Very high	91.7	Very high	39 Å²	39	64.8 Å²	64.8	17%	0.171	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	152.1	-172.7	-54	-102.2	0	0	0	111.2	D50 Y54 F64 L66 Y67 C111 A112	D50-F52 HydrophobicContact CB-CE2 3.78Å; D50-F52 HydrophobicContact CB-CZ 4.22Å; F52-Y54 HydrophobicContact CB-CD2 4.04Å; F52-Y54 HydrophobicContact CB-CE2 3.42Å; F52-Y54 VanDerWaalsContact CB-CE2 3.42Å; F52-Y54 HydrophobicContact CD1-CE2 4.24Å; F52-Y54 AromaticContact CG-CE2 3.98Å; F52-Y54 HydrophobicContact CG-CE2 3.98Å; F52-F64 HydrophobicContact CD1-CE2 4.09Å; F52-L66 WeakPolarHBondContact CA-O 3.33Å; F52-Y67 AromaticContact CD1-CD2 3.46Å; F52-Y67 HydrophobicContact CD1-CD2 3.46Å; F52-Y67 VanDerWaalsContact CD1-CD2 3.46Å; F52-Y67 HydrophobicContact CD1-CE2 4.34Å; F52-Y67 HydrophobicContact CD1-CG 4.13Å; F52-Y67 HydrophobicContact CD2-CD2 4.11Å; F52-Y67 HydrophobicContact CD2-CE2 4.48Å; F52-Y67 AromaticContact CE1-CD2 3.11Å; F52-Y67 HydrophobicContact CE1-CD2 3.11Å; F52-Y67 AromaticContact CE1-CE2 3.64Å; F52-Y67 HydrophobicContact CE1-CE2 3.64Å; F52-Y67 AromaticContact CE1-CG 3.88Å; F52-Y67 HydrophobicContact CE1-CG 3.88Å; F52-Y67 AromaticContact CE2-CD2 3.82Å; F52-Y67 HydrophobicContact CE2-CD2 3.82Å; F52-Y67 AromaticContact CE2-CE2 3.81Å; F52-Y67 HydrophobicContact CE2-CE2 3.81Å; F52-Y67 AromaticContact CG-CD2 3.93Å; F52-Y67 HydrophobicContact CG-CD2 3.93Å; F52-Y67 AromaticContact CZ-CD2 3.3Å; F52-Y67 HydrophobicContact CZ-CD2 3.3Å; F52-Y67 AromaticContact CZ-CE2 3.32Å; F52-Y67 HydrophobicContact CZ-CE2 3.32Å; F52-Y67 HydrophobicContact CZ-CG 4.41Å; F52-C111 WeakPolarHBondContact O-CA 3.44Å; F52-A112 HydrophobicContact CB-CB 4.2Å; F52-A112 PolarHBondContact N-O 3.42Å; F52-A112 PolarHBondContact O-N 2.94Å
53	W	98.2	Very high	91.8	Very high	0 Å²	0	67.7 Å²	67.7	0%	0	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	136.2	159.8	-83.7	99.7	0	0	0	110.2	Q23 L38 C40 I65 L66 F94 L96 Y110 C111	Q23-W53 HydrophobicContact CG-CH2 4.47Å; L38-W53 HydrophobicContact CB-CH2 3.89Å; L38-W53 HydrophobicContact CB-CZ2 4.39Å; L38-W53 HydrophobicContact CB-CZ3 4.43Å; L38-W53 HydrophobicContact CD1-CZ3 4.49Å; C40-W53 HydrophobicContact CB-CH2 4Å; C40-W53 HydrophobicContact CB-CZ2 3.44Å; C40-W53 VanDerWaalsContact CB-CZ2 3.44Å; W53-I65 HydrophobicContact CB-CB 4.09Å; W53-I65 HydrophobicContact CB-CD1 4.21Å; W53-I65 HydrophobicContact CB-CG2 4.48Å; W53-I65 VanDerWaalsContact O-CB 3.28Å; W53-I65 WeakPolarHBondContact O-CB 3.49Å; W53-I65 PolarHBondContact O-N 3Å; W53-L66 HydrophobicContact CB-CD1 4.28Å; W53-L66 HydrophobicContact CB-CG 4.28Å; W53-L66 PolarHBondContact N-O 2.92Å; W53-L66 PolarHBondContact O-N 3.36Å; W53-F94 AromaticContact CD1-CD1 3.51Å; W53-F94 AromaticContact CD1-CE1 3.33Å; W53-F94 HydrophobicContact CG-CE1 4.4Å; W53-F94 AromaticContact NE1-CD1 3.36Å; W53-F94 AromaticContact NE1-CE1 3.72Å; W53-F94 PolarHBondContact NE1-O 3.23Å; W53-L96 HydrophobicContact CB-CD1 4.43Å; W53-L96 HydrophobicContact CB-CD2 4.37Å; W53-L96 HydrophobicContact CD2-CB 3.82Å; W53-L96 HydrophobicContact CD2-CD2 4.11Å; W53-L96 HydrophobicContact CD2-CG 4.46Å; W53-L96 HydrophobicContact CE3-CB 4.43Å; W53-L96 HydrophobicContact CE3-CD2 4.23Å; W53-L96 HydrophobicContact CG-CB 4.07Å; W53-L96 HydrophobicContact CG-CD1 4.21Å; W53-L96 HydrophobicContact CG-CD2 4.18Å; W53-L96 HydrophobicContact CG-CG 4.4Å; W53-L96 HydrophobicContact CZ2-CB 3.94Å; W53-Y110 WeakPolarHBondContact CA-O 3.4Å; W53-Y110 VanDerWaalsContact CE3-C 3.41Å; W53-C111 HydrophobicContact CD2-CB 4.29Å; W53-C111 HydrophobicContact CE3-CB 4.25Å; W53-C111 HydrophobicContact CH2-CB 3.89Å; W53-C111 HydrophobicContact CZ2-CB 3.92Å; W53-C111 HydrophobicContact CZ3-CB 4.05Å
54	Y	97.6	Very high	91.9	Very high	70 Å²	70	66.3 Å²	66.3	28%	0.275	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	158.2	171.7	-64.6	-90.7	0	0	0	109.8	F52 Q63 F64 Y109 Y110 A112	F52-Y54 HydrophobicContact CB-CD2 4.04Å; F52-Y54 HydrophobicContact CB-CE2 3.42Å; F52-Y54 VanDerWaalsContact CB-CE2 3.42Å; F52-Y54 HydrophobicContact CD1-CE2 4.24Å; F52-Y54 AromaticContact CG-CE2 3.98Å; F52-Y54 HydrophobicContact CG-CE2 3.98Å; Y54-Q63 CarbonylContact C-O 3.52Å; Y54-Q63 WeakPolarHBondContact CA-O 3.37Å; Y54-F64 HydrophobicContact CD1-CB 4.2Å; Y54-F64 HydrophobicContact CD1-CD2 4.5Å; Y54-F64 HydrophobicContact CE1-CB 3.97Å; Y54-F64 AromaticContact CE1-CD2 3.91Å; Y54-F64 HydrophobicContact CE1-CD2 3.91Å; Y54-F64 HydrophobicContact CE1-CG 4.45Å; Y54-Y109 CarbonylContact O-C 3.53Å; Y54-Y109 WeakPolarHBondContact O-CA 3.38Å; Y54-Y110 PolarHBondContact N-O 3.24Å; Y54-Y110 PolarHBondContact O-N 3.37Å; Y54-A112 HydrophobicContact CD2-CB 3.94Å; Y54-A112 HydrophobicContact CE2-CB 3.91Å
55	R	96.6	Very high	92.3	Very high	7 Å²	7	66.2 Å²	66.2	3%	0.026	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	150.5	163.8	60	-179.6	-177.7	-167.4	-3.9	112	R57 Q63 I65 F78 D105 A107 T108 Y109	R55-R57 VanDerWaalsContact NH1-NH2 3.14Å; R55-Q63 HydrophobicContact CG-CB 4.14Å; R55-Q63 PolarHBondContact N-O 2.88Å; R55-Q63 PolarHBondContact O-N 2.86Å; R55-I65 HydrophobicContact CB-CD1 3.94Å; R55-I65 HydrophobicContact CB-CG1 4.47Å; R55-I65 HydrophobicContact CG-CD1 4.09Å; R55-I65 HydrophobicContact CG-CG1 4.13Å; R55-F78 VanDerWaalsContact CZ-CZ 3.47Å; R55-D105 IonicContact NH1-OD1 3.58Å; R55-A107 HydrophobicContact CB-CB 3.98Å; R55-T108 CarbonylContact C-O 3.6Å; R55-T108 VanDerWaalsContact CA-O 3.27Å; R55-T108 WeakPolarHBondContact CA-O 3.33Å; R55-Y109 HydrophobicContact CB-CD1 3.88Å; R55-Y109 HydrophobicContact CB-CE1 3.81Å; R55-Y109 HydrophobicContact CB-CG 4.37Å; R55-Y109 HydrophobicContact CG-CE1 4.46Å
56	K	95.8	Very high	92.9	Very high	88 Å²	88	61 Å²	61	38%	0.383	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	118.2	169.5	-170.5	-179.6	176.8	-124.9	0	108.9	F62 A107 T108 Y110	K56-F62 HydrophobicContact CB-CD1 4.06Å; K56-F62 HydrophobicContact CB-CE1 4.04Å; K56-F62 HydrophobicContact CD-CE1 4.28Å; K56-F62 HydrophobicContact CD-CE2 4.13Å; K56-F62 HydrophobicContact CD-CZ 3.97Å; K56-A107 WeakPolarHBondContact O-CB 3.48Å; K56-T108 PolarHBondContact N-O 2.94Å; K56-T108 PolarHBondContact O-N 3.32Å; K56-Y110 HydrophobicContact CB-CE2 3.87Å
57	R	93.7	Very high	93.6	Very high	47 Å²	47	60.1 Å²	60.1	18%	0.177	30%	0.301	C	S	.	.			trans	-85.3	157.8	171.7	-71.2	-171.4	-179	96.3	-14.3	110.3	R55 D59 R60 E104 A107	R55-R57 VanDerWaalsContact NH1-NH2 3.14Å; R57-D59 PolarHBondContact O-N 2.92Å; R57-R60 HydrophobicContact CB-CB 4.12Å; R57-R60 HydrophobicContact CB-CG 4.22Å; R57-R60 PolarHBondContact O-N 3.02Å; R57-R60 VanDerWaalsContact O-N 3.17Å; R57-E104 PolarHBondContact NE-O 3.03Å; R57-E104 VanDerWaalsContact NE-O 3.07Å; R57-E104 PolarHBondContact NH2-O 3.41Å; R57-A107 HydrophobicContact CG-CB 3.92Å
58	P	91	Very high	94.3	Very high	102 Å²	102	57.6 Å²	57.6	66%	0.662	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49	131.4	168.7	-25.7	34.8	0	0	0	110.3	R60	P58-R60 PolarHBondContact O-N 3.31Å
59	D	85.6	Confident	94.6	Very high	172 Å²	172	56.4 Å²	56.4	92%	0.92	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.1	20	177.4	-48.1	-42.4	0	0	0	116.3	R57	R57-D59 PolarHBondContact O-N 2.92Å
60	R	87.9	Confident	94.4	Very high	171 Å²	171	60.4 Å²	60.4	65%	0.645	29%	0.294	S	S	*	.	S	Bend	trans	-121.7	159.6	174.5	-58.5	-163.8	-176.8	-148.8	2.1	112.2	R57 P58	R57-R60 HydrophobicContact CB-CB 4.12Å; R57-R60 HydrophobicContact CB-CG 4.22Å; R57-R60 PolarHBondContact O-N 3.02Å; R57-R60 VanDerWaalsContact O-N 3.17Å; P58-R60 PolarHBondContact O-N 3.31Å
61	S	91.4	Very high	94.3	Very high	101 Å²	101	64.5 Å²	64.5	71%	0.706	32%	0.32	S	S	*	.			trans	-66.7	166.6	169.9	55.5	0	0	0	0	111.7
62	F	94	Very high	94.1	Very high	118 Å²	118	66.3 Å²	66.3	52%	0.518	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.6	137.3	169.9	-74.4	-87.1	0	0	0	110.6	K56 Y110	K56-F62 HydrophobicContact CB-CD1 4.06Å; K56-F62 HydrophobicContact CB-CE1 4.04Å; K56-F62 HydrophobicContact CD-CE1 4.28Å; K56-F62 HydrophobicContact CD-CE2 4.13Å; K56-F62 HydrophobicContact CD-CZ 3.97Å; F62-Y110 HydrophobicContact CD1-CD2 4.25Å; F62-Y110 AromaticContact CE1-CD2 3.56Å; F62-Y110 HydrophobicContact CE1-CD2 3.56Å; F62-Y110 AromaticContact CE1-CE2 3.64Å; F62-Y110 HydrophobicContact CE1-CE2 3.64Å; F62-Y110 HydrophobicContact CE1-CG 4.14Å; F62-Y110 HydrophobicContact CZ-CE2 4.32Å
63	Q	96.6	Very high	93.9	Very high	70 Å²	70	67.9 Å²	67.9	33%	0.327	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	127.8	174.6	-175.1	175.1	45.4	0	0	109.1	Y54 R55 F78	Y54-Q63 CarbonylContact C-O 3.52Å; Y54-Q63 WeakPolarHBondContact CA-O 3.37Å; R55-Q63 HydrophobicContact CG-CB 4.14Å; R55-Q63 PolarHBondContact N-O 2.88Å; R55-Q63 PolarHBondContact O-N 2.86Å; Q63-F78 HydrophobicContact CG-CE1 3.95Å; Q63-F78 HydrophobicContact CG-CZ 4.42Å
64	F	97.1	Very high	93.9	Very high	67 Å²	67	73 Å²	73	29%	0.294	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.9	137.6	171.2	174	-107.6	0	0	0	111	F52 Y54 L66 H74 A76 F78	F52-F64 HydrophobicContact CD1-CE2 4.09Å; Y54-F64 HydrophobicContact CD1-CB 4.2Å; Y54-F64 HydrophobicContact CD1-CD2 4.5Å; Y54-F64 HydrophobicContact CE1-CB 3.97Å; Y54-F64 AromaticContact CE1-CD2 3.91Å; Y54-F64 HydrophobicContact CE1-CD2 3.91Å; Y54-F64 HydrophobicContact CE1-CG 4.45Å; F64-L66 WeakPolarHBondContact CE2-O 3.32Å; F64-L66 VanDerWaalsContact CZ-CA 3.45Å; F64-H74 HydrophobicContact CZ-CB 4.28Å; F64-A76 HydrophobicContact CD1-CB 4.03Å; F64-A76 HydrophobicContact CE1-CB 4.45Å; F64-A76 WeakPolarHBondContact O-CB 3.03Å; F64-F78 WeakPolarHBondContact O-CE1 3.22Å
65	I	98.2	Very high	93.9	Very high	0 Å²	0	72.2 Å²	72.2	0%	0	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	-63.8	174.7	-59.4	173.5	0	0	0	109	W53 R55 A76 F78 V79 F83 L96 Y109	W53-I65 HydrophobicContact CB-CB 4.09Å; W53-I65 HydrophobicContact CB-CD1 4.21Å; W53-I65 HydrophobicContact CB-CG2 4.48Å; W53-I65 VanDerWaalsContact O-CB 3.28Å; W53-I65 WeakPolarHBondContact O-CB 3.49Å; W53-I65 PolarHBondContact O-N 3Å; R55-I65 HydrophobicContact CB-CD1 3.94Å; R55-I65 HydrophobicContact CB-CG1 4.47Å; R55-I65 HydrophobicContact CG-CD1 4.09Å; R55-I65 HydrophobicContact CG-CG1 4.13Å; I65-A76 WeakPolarHBondContact O-CB 3.29Å; I65-A76 PolarHBondContact O-N 3.31Å; I65-F78 HydrophobicContact CG1-CZ 4.11Å; I65-V79 HydrophobicContact CB-CG1 4.43Å; I65-V79 HydrophobicContact CG2-CB 4.49Å; I65-V79 HydrophobicContact CG2-CG1 3.68Å; I65-V79 WeakPolarHBondContact O-CG1 3.43Å; I65-F83 HydrophobicContact CG2-CD1 3.8Å; I65-F83 HydrophobicContact CG2-CE1 4.36Å; I65-L96 HydrophobicContact CD1-CD2 3.94Å; I65-L96 HydrophobicContact CG2-CD1 4.17Å; I65-L96 HydrophobicContact CG2-CD2 4.48Å; I65-Y109 HydrophobicContact CD1-CD1 3.42Å; I65-Y109 VanDerWaalsContact CD1-CD1 3.42Å; I65-Y109 HydrophobicContact CD1-CE1 3.48Å; I65-Y109 VanDerWaalsContact CD1-CE1 3.48Å
66	L	98.3	Very high	93.9	Very high	1 Å²	1	72.8 Å²	72.8	1%	0.005	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.9	163.6	-175.8	61.8	77.7	0	0	0	112.4	F52 W53 F64 H74 D75 V85 F94 L96	F52-L66 WeakPolarHBondContact CA-O 3.33Å; W53-L66 HydrophobicContact CB-CD1 4.28Å; W53-L66 HydrophobicContact CB-CG 4.28Å; W53-L66 PolarHBondContact N-O 2.92Å; W53-L66 PolarHBondContact O-N 3.36Å; F64-L66 WeakPolarHBondContact CE2-O 3.32Å; F64-L66 VanDerWaalsContact CZ-CA 3.45Å; L66-H74 CarbonylContact C-O 3.6Å; L66-H74 WeakPolarHBondContact CA-O 3.24Å; L66-D75 WeakPolarHBondContact CB-OD1 3.32Å; L66-V85 HydrophobicContact CD1-CB 4.33Å; L66-V85 HydrophobicContact CD2-CB 4.26Å; L66-F94 HydrophobicContact CD1-CE1 3.87Å; L66-F94 HydrophobicContact CD1-CZ 3.61Å; L66-L96 HydrophobicContact CD2-CD1 3.62Å; L66-L96 HydrophobicContact CG-CD1 4.24Å
67	Y	97.2	Very high	93.9	Very high	21 Å²	21	75.7 Å²	75.7	8%	0.082	40%	0.399	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141	141.4	-179.6	166.1	-100.1	0	0	0	111.1	D50 L51 F52 D69 S72 S73 H74	D50-Y67 HydrophobicContact CB-CE2 3.72Å; D50-Y67 PolarHBondContact OD1-OH 2.93Å; D50-Y67 PolarHBondContact OD2-OH 3.11Å; L51-Y67 CarbonylContact O-C 3.55Å; L51-Y67 VanDerWaalsContact O-CA 3.26Å; L51-Y67 WeakPolarHBondContact O-CA 3.32Å; L51-Y67 WeakPolarHBondContact O-CD2 2.96Å; F52-Y67 AromaticContact CD1-CD2 3.46Å; F52-Y67 HydrophobicContact CD1-CD2 3.46Å; F52-Y67 VanDerWaalsContact CD1-CD2 3.46Å; F52-Y67 HydrophobicContact CD1-CE2 4.34Å; F52-Y67 HydrophobicContact CD1-CG 4.13Å; F52-Y67 HydrophobicContact CD2-CD2 4.11Å; F52-Y67 HydrophobicContact CD2-CE2 4.48Å; F52-Y67 AromaticContact CE1-CD2 3.11Å; F52-Y67 HydrophobicContact CE1-CD2 3.11Å; F52-Y67 AromaticContact CE1-CE2 3.64Å; F52-Y67 HydrophobicContact CE1-CE2 3.64Å; F52-Y67 AromaticContact CE1-CG 3.88Å; F52-Y67 HydrophobicContact CE1-CG 3.88Å; F52-Y67 AromaticContact CE2-CD2 3.82Å; F52-Y67 HydrophobicContact CE2-CD2 3.82Å; F52-Y67 AromaticContact CE2-CE2 3.81Å; F52-Y67 HydrophobicContact CE2-CE2 3.81Å; F52-Y67 AromaticContact CG-CD2 3.93Å; F52-Y67 HydrophobicContact CG-CD2 3.93Å; F52-Y67 AromaticContact CZ-CD2 3.3Å; F52-Y67 HydrophobicContact CZ-CD2 3.3Å; F52-Y67 AromaticContact CZ-CE2 3.32Å; F52-Y67 HydrophobicContact CZ-CE2 3.32Å; F52-Y67 HydrophobicContact CZ-CG 4.41Å; Y67-D69 HydrophobicContact CE1-CB 4.14Å; Y67-D69 WeakPolarHBondContact CE1-OD2 3.42Å; Y67-D69 VanDerWaalsContact CZ-OD2 3.27Å; Y67-D69 VanDerWaalsContact OH-CB 3.29Å; Y67-D69 WeakPolarHBondContact OH-CB 3.05Å; Y67-D69 PolarHBondContact OH-OD2 2.81Å; Y67-S72 WeakPolarHBondContact CE1-OG 3.48Å; Y67-S73 WeakPolarHBondContact O-CA 3.39Å; Y67-H74 HydrophobicContact CD1-CB 4.43Å; Y67-H74 AromaticContact CD1-CD2 3.65Å; Y67-H74 PolarHBondContact N-O 3.05Å; Y67-H74 PolarHBondContact O-N 2.95Å
68	R	95.6	Very high	93.9	Very high	42 Å²	42	76.3 Å²	76.3	16%	0.158	40%	0.403	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	138	170.8	-57.9	-67.7	-179.8	-85.6	4.6	110.4	L51 S73 H74 D75 V85 F94	L51-R68 PolarHBondContact N-O 2.03Å; L51-R68 PolarHBondContact O-N 2.92Å; R68-S73 VanDerWaalsContact CD-CB 3.48Å; R68-H74 PolarHBondContact NH1-O 2.81Å; R68-D75 IonicContact CZ-OD1 3.17Å; R68-D75 IonicContact CZ-OD2 3.92Å; R68-D75 IonicContact NH1-OD1 2.65Å; R68-D75 PolarHBondContact NH1-OD1 3.19Å; R68-D75 VanDerWaalsContact NH2-CG 3.28Å; R68-D75 IonicContact NH2-OD1 2.78Å; R68-D75 PolarHBondContact NH2-OD1 2.78Å; R68-D75 IonicContact NH2-OD2 2.97Å; R68-D75 PolarHBondContact NH2-OD2 2.65Å; R68-V85 HydrophobicContact CG-CG1 3.96Å; R68-F94 HydrophobicContact CB-CE2 3.66Å; R68-F94 HydrophobicContact CB-CZ 3.89Å; R68-F94 HydrophobicContact CG-CE2 3.62Å; R68-F94 HydrophobicContact CG-CZ 3.75Å
69	D	91.6	Very high	94.1	Very high	27 Å²	27	71.5 Å²	71.5	14%	0.144	37%	0.371	C	S	.	.			trans	-129	-151.5	162.2	64.5	27.9	0	0	0	110.1	Y67 T71 S72	Y67-D69 HydrophobicContact CE1-CB 4.14Å; Y67-D69 WeakPolarHBondContact CE1-OD2 3.42Å; Y67-D69 VanDerWaalsContact CZ-OD2 3.27Å; Y67-D69 VanDerWaalsContact OH-CB 3.29Å; Y67-D69 WeakPolarHBondContact OH-CB 3.05Å; Y67-D69 PolarHBondContact OH-OD2 2.81Å; D69-T71 WeakPolarHBondContact OD1-CA 3.27Å; D69-T71 PolarHBondContact OD1-N 3.49Å; D69-T71 PolarHBondContact OD1-OG1 2.85Å; D69-S72 PolarHBondContact N-O 3.17Å; D69-S72 VanDerWaalsContact N-O 3.13Å; D69-S72 WeakPolarHBondContact OD1-CA 3.49Å; D69-S72 PolarHBondContact OD1-N 2.96Å; D69-S72 PolarHBondContact OD1-OG 3.29Å; D69-S72 PolarHBondContact OD2-OG 2.97Å
70	D	88.1	Confident	94.4	Very high	91 Å²	91	69 Å²	69	49%	0.487	35%	0.354	S	S	.	.	S	Bend	trans	-85.6	-21.4	174.9	62.9	-12.6	0	0	0	115.9	N48	N48-D70 HydrophobicContact CB-CB 4.05Å; N48-D70 WeakPolarHBondContact ND2-CB 3.39Å; N48-D70 PolarHBondContact ND2-OD2 3.04Å
71	T	90.2	Very high	94.7	Very high	121 Å²	121	64.5 Å²	64.5	74%	0.742	36%	0.362	S	S	*	.	S	Bend	trans	-113	-22.2	-174.4	59.2	0	0	0	0	113.7	D69	D69-T71 WeakPolarHBondContact OD1-CA 3.27Å; D69-T71 PolarHBondContact OD1-N 3.49Å; D69-T71 PolarHBondContact OD1-OG1 2.85Å
72	S	92.8	Very high	94.9	Very high	38 Å²	38	62.4 Å²	62.4	27%	0.266	34%	0.338	S	S	.	.			trans	-147.1	153	-164.6	77.2	0	0	0	0	113	Y67 D69	Y67-S72 WeakPolarHBondContact CE1-OG 3.48Å; D69-S72 PolarHBondContact N-O 3.17Å; D69-S72 VanDerWaalsContact N-O 3.13Å; D69-S72 WeakPolarHBondContact OD1-CA 3.49Å; D69-S72 PolarHBondContact OD1-N 2.96Å; D69-S72 PolarHBondContact OD1-OG 3.29Å; D69-S72 PolarHBondContact OD2-OG 2.97Å
73	S	95.5	Very high	95.1	Very high	72 Å²	72	57.5 Å²	57.5	50%	0.503	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	129.5	177.8	62.2	0	0	0	0	108.6	Y67 R68	Y67-S73 WeakPolarHBondContact O-CA 3.39Å; R68-S73 VanDerWaalsContact CD-CB 3.48Å
74	H	96.6	Very high	95.2	Very high	108 Å²	108	57 Å²	57	50%	0.5	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	133.9	177.7	-61.4	-68.8	0	0	0	109.7	F64 L66 Y67 R68	F64-H74 HydrophobicContact CZ-CB 4.28Å; L66-H74 CarbonylContact C-O 3.6Å; L66-H74 WeakPolarHBondContact CA-O 3.24Å; Y67-H74 HydrophobicContact CD1-CB 4.43Å; Y67-H74 AromaticContact CD1-CD2 3.65Å; Y67-H74 PolarHBondContact N-O 3.05Å; Y67-H74 PolarHBondContact O-N 2.95Å; R68-H74 PolarHBondContact NH1-O 2.81Å
75	D	97.8	Very high	95.2	Very high	53 Å²	53	55.2 Å²	55.2	28%	0.283	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	136.3	-177.9	-75.5	-15.8	0	0	0	108.4	L66 R68 V79	L66-D75 WeakPolarHBondContact CB-OD1 3.32Å; R68-D75 IonicContact CZ-OD1 3.17Å; R68-D75 IonicContact CZ-OD2 3.92Å; R68-D75 IonicContact NH1-OD1 2.65Å; R68-D75 PolarHBondContact NH1-OD1 3.19Å; R68-D75 VanDerWaalsContact NH2-CG 3.28Å; R68-D75 IonicContact NH2-OD1 2.78Å; R68-D75 PolarHBondContact NH2-OD1 2.78Å; R68-D75 IonicContact NH2-OD2 2.97Å; R68-D75 PolarHBondContact NH2-OD2 2.65Å; D75-V79 HydrophobicContact CB-CG2 3.66Å
76	A	97.7	Very high	95.1	Very high	19 Å²	19	60.4 Å²	60.4	16%	0.157	34%	0.338	C	S	.	.			trans	-71.6	143.7	171.5	0	0	0	0	0	110.6	F64 I65 F78 V79	F64-A76 HydrophobicContact CD1-CB 4.03Å; F64-A76 HydrophobicContact CE1-CB 4.45Å; F64-A76 WeakPolarHBondContact O-CB 3.03Å; I65-A76 WeakPolarHBondContact O-CB 3.29Å; I65-A76 PolarHBondContact O-N 3.31Å; A76-F78 HydrophobicContact CB-CD1 3.8Å; A76-F78 HydrophobicContact CB-CE1 3.52Å; A76-F78 HydrophobicContact CB-CZ 4.35Å; A76-F78 PolarHBondContact O-N 2.86Å; A76-V79 HydrophobicContact CB-CG1 3.96Å; A76-V79 WeakPolarHBondContact O-CB 3.38Å; A76-V79 WeakPolarHBondContact O-CG1 3.39Å; A76-V79 WeakPolarHBondContact O-CG2 3.11Å; A76-V79 PolarHBondContact O-N 3.19Å
77	D	96	Very high	95	Very high	148 Å²	148	63.1 Å²	63.1	79%	0.791	35%	0.351	S	S	*	.	G	3₁₀ helix	trans	-54.5	-36.6	-172.1	-60.7	-23.8	0	0	0	114.5	V79 Q80	D77-V79 PolarHBondContact O-N 2.91Å; D77-Q80 WeakPolarHBondContact O-CB 3.4Å; D77-Q80 WeakPolarHBondContact O-CG 3.47Å; D77-Q80 PolarHBondContact O-N 2.92Å
78	F	93.8	Very high	94.9	Very high	60 Å²	60	63.6 Å²	63.6	26%	0.263	36%	0.357	S	S	.	.	G	3₁₀ helix	trans	-68.8	-15.4	-178.3	75.7	-94.7	0	0	0	114	R55 Q63 F64 I65 A76 Q80 F83	R55-F78 VanDerWaalsContact CZ-CZ 3.47Å; Q63-F78 HydrophobicContact CG-CE1 3.95Å; Q63-F78 HydrophobicContact CG-CZ 4.42Å; F64-F78 WeakPolarHBondContact O-CE1 3.22Å; I65-F78 HydrophobicContact CG1-CZ 4.11Å; A76-F78 HydrophobicContact CB-CD1 3.8Å; A76-F78 HydrophobicContact CB-CE1 3.52Å; A76-F78 HydrophobicContact CB-CZ 4.35Å; A76-F78 PolarHBondContact O-N 2.86Å; F78-Q80 VanDerWaalsContact C-N 3.34Å; F78-F83 HydrophobicContact CE2-CZ 4.37Å
79	V	94.6	Very high	94.8	Very high	1 Å²	1	66 Å²	66	1%	0.006	37%	0.369	C	S	.	.	G	3₁₀ helix	trans	-83.6	-19.1	-175.7	-46.1	0	0	0	0	110.8	I65 D75 A76 D77 G81 R82 F83	I65-V79 HydrophobicContact CB-CG1 4.43Å; I65-V79 HydrophobicContact CG2-CB 4.49Å; I65-V79 HydrophobicContact CG2-CG1 3.68Å; I65-V79 WeakPolarHBondContact O-CG1 3.43Å; D75-V79 HydrophobicContact CB-CG2 3.66Å; A76-V79 HydrophobicContact CB-CG1 3.96Å; A76-V79 WeakPolarHBondContact O-CB 3.38Å; A76-V79 WeakPolarHBondContact O-CG1 3.39Å; A76-V79 WeakPolarHBondContact O-CG2 3.11Å; A76-V79 PolarHBondContact O-N 3.19Å; D77-V79 PolarHBondContact O-N 2.91Å; V79-G81 PolarHBondContact O-N 3.42Å; V79-R82 PolarHBondContact O-N 2.92Å; V79-R82 VanDerWaalsContact O-N 3.17Å; V79-F83 HydrophobicContact CB-CB 3.65Å; V79-F83 HydrophobicContact CB-CD2 4.21Å; V79-F83 HydrophobicContact CB-CG 3.91Å; V79-F83 HydrophobicContact CG1-CB 4.47Å; V79-F83 HydrophobicContact CG1-CG 4.35Å; V79-F83 HydrophobicContact CG2-CB 4.36Å; V79-F83 PolarHBondContact O-N 2.9Å
80	Q	92.6	Very high	94.9	Very high	119 Å²	119	69.2 Å²	69.2	56%	0.556	40%	0.399	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.6	130.7	-176.4	-65.8	-61.9	-25	0	0	111.6	D77 F78 R82	D77-Q80 WeakPolarHBondContact O-CB 3.4Å; D77-Q80 WeakPolarHBondContact O-CG 3.47Å; D77-Q80 PolarHBondContact O-N 2.92Å; F78-Q80 VanDerWaalsContact C-N 3.34Å; Q80-R82 PolarHBondContact O-N 2.9Å
81	G	93.2	Very high	95.2	Very high	78 Å²	78	70.6 Å²	70.6	80%	0.804	41%	0.407	S	S	*	.	T	Hydrogen-bonded Turn	trans	75.9	-3.6	177.9	0	0	0	0	0	116.1	V79	V79-G81 PolarHBondContact O-N 3.42Å
82	R	96.7	Very high	95.4	Very high	57 Å²	57	69.5 Å²	69.5	22%	0.215	39%	0.389	C	S	.	.	T	Hydrogen-bonded Turn	trans	-131.9	-32.7	178.5	-55.6	-167	-56.7	113.2	-3.3	115.2	V79 Q80 I98 S99 P100 D105	V79-R82 PolarHBondContact O-N 2.92Å; V79-R82 VanDerWaalsContact O-N 3.17Å; Q80-R82 PolarHBondContact O-N 2.9Å; R82-I98 CarbonylContact O-C 3.59Å; R82-I98 WeakPolarHBondContact O-CA 3.18Å; R82-S99 VanDerWaalsContact CA-O 3.28Å; R82-S99 WeakPolarHBondContact CA-O 3.48Å; R82-S99 PolarHBondContact O-N 3.02Å; R82-P100 PolarHBondContact NH1-O 3.48Å; R82-D105 IonicContact CZ-OD1 3.68Å; R82-D105 IonicContact CZ-OD2 3.59Å; R82-D105 IonicContact NH1-OD1 3.5Å; R82-D105 PolarHBondContact NH1-OD1 3.32Å; R82-D105 IonicContact NH1-OD2 2.67Å; R82-D105 PolarHBondContact NH1-OD2 2.98Å; R82-D105 IonicContact NH2-OD1 2.91Å; R82-D105 PolarHBondContact NH2-OD1 2.95Å; R82-D105 IonicContact NH2-OD2 3.58Å
83	F	98.3	Very high	95.6	Very high	14 Å²	14	68.7 Å²	68.7	6%	0.061	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	139.9	-178.2	-72.3	-118.8	0	0	0	109.1	I65 F78 V79 L96 V97 I98 D105 Y109	I65-F83 HydrophobicContact CG2-CD1 3.8Å; I65-F83 HydrophobicContact CG2-CE1 4.36Å; F78-F83 HydrophobicContact CE2-CZ 4.37Å; V79-F83 HydrophobicContact CB-CB 3.65Å; V79-F83 HydrophobicContact CB-CD2 4.21Å; V79-F83 HydrophobicContact CB-CG 3.91Å; V79-F83 HydrophobicContact CG1-CB 4.47Å; V79-F83 HydrophobicContact CG1-CG 4.35Å; V79-F83 HydrophobicContact CG2-CB 4.36Å; V79-F83 PolarHBondContact O-N 2.9Å; F83-L96 HydrophobicContact CD1-CD1 4.24Å; F83-L96 HydrophobicContact CD1-CD2 4.2Å; F83-L96 HydrophobicContact CD1-CG 4.43Å; F83-L96 HydrophobicContact CE1-CD2 4.39Å; F83-V97 CarbonylContact C-O 3.56Å; F83-V97 VanDerWaalsContact CA-O 3.28Å; F83-V97 WeakPolarHBondContact CA-O 3.31Å; F83-I98 HydrophobicContact CD1-CD1 4.14Å; F83-I98 HydrophobicContact CD1-CG1 3.73Å; F83-I98 HydrophobicContact CD2-CG2 4.09Å; F83-I98 HydrophobicContact CE1-CB 4.46Å; F83-I98 HydrophobicContact CE1-CD1 3.44Å; F83-I98 VanDerWaalsContact CE1-CD1 3.44Å; F83-I98 HydrophobicContact CE1-CG1 3.54Å; F83-I98 HydrophobicContact CE1-CG2 4.18Å; F83-I98 HydrophobicContact CE2-CG2 3.66Å; F83-I98 HydrophobicContact CG-CG1 4.3Å; F83-I98 HydrophobicContact CG-CG2 4.49Å; F83-I98 HydrophobicContact CZ-CB 4.45Å; F83-I98 HydrophobicContact CZ-CD1 3.78Å; F83-I98 HydrophobicContact CZ-CG1 3.95Å; F83-I98 HydrophobicContact CZ-CG2 3.69Å; F83-D105 WeakPolarHBondContact CZ-OD1 3.32Å; F83-Y109 HydrophobicContact CE1-CE1 4Å
84	S	97.4	Very high	95.7	Very high	61 Å²	61	65.3 Å²	65.3	43%	0.427	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.8	172	173	61.9	0	0	0	0	110.1	V97	S84-V97 PolarHBondContact N-O 2.56Å; S84-V97 PolarHBondContact O-N 2.91Å
85	V	97.4	Very high	95.8	Very high	29 Å²	29	61.8 Å²	61.8	18%	0.176	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	129.9	178.1	72.9	0	0	0	0	111.1	L66 R68 H87 F94 H95	L66-V85 HydrophobicContact CD1-CB 4.33Å; L66-V85 HydrophobicContact CD2-CB 4.26Å; R68-V85 HydrophobicContact CG-CG1 3.96Å; V85-H87 HydrophobicContact CG1-CB 4.36Å; V85-H87 PolarHBondContact O-N 2.81Å; V85-F94 HydrophobicContact CB-CE2 4.4Å; V85-F94 HydrophobicContact CG1-CE2 4.1Å; V85-F94 HydrophobicContact CG2-CD1 4.24Å; V85-F94 HydrophobicContact CG2-CD2 3.64Å; V85-F94 HydrophobicContact CG2-CE1 4.18Å; V85-F94 HydrophobicContact CG2-CE2 3.54Å; V85-F94 HydrophobicContact CG2-CG 4Å; V85-F94 HydrophobicContact CG2-CZ 3.84Å; V85-H95 CarbonylContact C-O 3.48Å; V85-H95 WeakPolarHBondContact CA-O 3.34Å; V85-H95 VanDerWaalsContact CG2-O 3.29Å; V85-H95 WeakPolarHBondContact CG2-O 3.43Å
86	K	97	Very high	95.8	Very high	108 Å²	108	59.2 Å²	59.2	47%	0.47	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	90.4	165.9	-69.9	171.8	179.4	161	0	107.4	E35 H95 V97	E35-K86 IonicContact OE1-NZ 3.79Å; K86-H95 HydrophobicContact CB-CB 4.27Å; K86-H95 PolarHBondContact N-O 2.86Å; K86-H95 PolarHBondContact O-N 2.71Å; K86-V97 HydrophobicContact CD-CG2 3.78Å; K86-V97 HydrophobicContact CG-CG2 3.87Å
87	H	96	Very high	95.8	Very high	58 Å²	58	58.5 Å²	58.5	27%	0.269	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	114	179	-174.2	-179.7	0	0	0	110.3	V85 T93 F94	V85-H87 HydrophobicContact CG1-CB 4.36Å; V85-H87 PolarHBondContact O-N 2.81Å; H87-T93 CarbonylContact C-O 3.59Å; H87-T93 WeakPolarHBondContact CA-O 3.43Å; H87-T93 PolarHBondContact CD2-O 2.76Å; H87-T93 VanDerWaalsContact CD2-O 3.31Å; H87-F94 HydrophobicContact CB-CD2 3.86Å; H87-F94 HydrophobicContact CB-CE2 4.16Å; H87-F94 AromaticContact CD2-CD2 3.89Å; H87-F94 AromaticContact CG-CD2 3.61Å; H87-F94 AromaticContact CG-CE2 3.96Å; H87-F94 AromaticContact ND1-CD2 3.83Å; H87-F94 AromaticContact ND1-CE2 3.79Å
88	S	95	Very high	95.9	Very high	32 Å²	32	51.7 Å²	51.7	22%	0.224	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	107.5	171	177.4	0	0	0	0	110.3	A90 N91 R92 T93	S88-A90 VanDerWaalsContact C-N 3.35Å; S88-N91 PolarHBondContact O-N 3.05Å; S88-N91 WeakPolarHBondContact OG-CB 3.28Å; S88-N91 PolarHBondContact OG-N 2.9Å; S88-N91 PolarHBondContact OG-ND2 3.04Å; S88-R92 CarbonylContact O-C 3.54Å; S88-R92 VanDerWaalsContact O-CA 3.32Å; S88-R92 WeakPolarHBondContact O-CA 3.45Å; S88-R92 PolarHBondContact O-N 2.8Å; S88-T93 WeakPolarHBondContact CB-OG1 3.32Å; S88-T93 PolarHBondContact N-O 2.97Å; S88-T93 PolarHBondContact O-N 2.99Å
89	K	92.6	Very high	96.1	Very high	91 Å²	91	50.9 Å²	50.9	40%	0.396	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64	-40	175.8	-65.5	-171.9	176.6	-167.1	0	112.2	N48 N91 R92	N48-K89 PolarHBondContact OD1-NZ 2.78Å; K89-N91 VanDerWaalsContact C-N 3.32Å; K89-N91 PolarHBondContact O-N 3.14Å; K89-R92 PolarHBondContact O-N 3.13Å
90	A	93.3	Very high	96.2	Very high	95 Å²	95	53.9 Å²	53.9	79%	0.785	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.2	-39.7	179	0	0	0	0	0	112.3	S88	S88-A90 VanDerWaalsContact C-N 3.35Å
91	N	95.5	Very high	96.5	Very high	121 Å²	121	49 Å²	49	65%	0.647	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.6	0.9	179.1	-57.7	-25.1	0	0	0	112.7	S88 K89 T93	S88-N91 PolarHBondContact O-N 3.05Å; S88-N91 WeakPolarHBondContact OG-CB 3.28Å; S88-N91 PolarHBondContact OG-N 2.9Å; S88-N91 PolarHBondContact OG-ND2 3.04Å; K89-N91 VanDerWaalsContact C-N 3.32Å; K89-N91 PolarHBondContact O-N 3.14Å; N91-T93 VanDerWaalsContact C-N 3.32Å; N91-T93 HydrophobicContact CB-CG2 3.93Å; N91-T93 WeakPolarHBondContact O-CG2 3.34Å; N91-T93 PolarHBondContact O-N 3.37Å
92	R	94.6	Very high	96.6	Very high	98 Å²	98	46.8 Å²	46.8	37%	0.37	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	46.3	50.6	-172.3	-56.4	-178.5	132	110	-5.5	113.5	T41 Y42 A44 S88 K89	T41-R92 CarbonylContact C-O 3.52Å; T41-R92 WeakPolarHBondContact CA-O 3.11Å; Y42-R92 HydrophobicContact CD1-CB 4.27Å; Y42-R92 WeakPolarHBondContact CD1-O 3.47Å; Y42-R92 HydrophobicContact CD2-CB 4.14Å; Y42-R92 HydrophobicContact CE1-CB 4.1Å; Y42-R92 HydrophobicContact CE2-CB 3.97Å; Y42-R92 HydrophobicContact CE2-CG 4.11Å; Y42-R92 HydrophobicContact CG-CB 4.29Å; Y42-R92 PolarHBondContact N-O 3.41Å; Y42-R92 WeakPolarHBondContact O-CB 3.46Å; Y42-R92 WeakPolarHBondContact O-CD 3.3Å; A44-R92 PolarHBondContact O-NH2 2.83Å; S88-R92 CarbonylContact O-C 3.54Å; S88-R92 VanDerWaalsContact O-CA 3.32Å; S88-R92 WeakPolarHBondContact O-CA 3.45Å; S88-R92 PolarHBondContact O-N 2.8Å; K89-R92 PolarHBondContact O-N 3.13Å
93	T	96.5	Very high	96.4	Very high	21 Å²	21	50.9 Å²	50.9	13%	0.129	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	144.6	179.3	69.6	0	0	0	0	112.5	T41 H87 S88 N91 H95	T41-T93 HydrophobicContact CG2-CG2 4.06Å; H87-T93 CarbonylContact C-O 3.59Å; H87-T93 WeakPolarHBondContact CA-O 3.43Å; H87-T93 PolarHBondContact CD2-O 2.76Å; H87-T93 VanDerWaalsContact CD2-O 3.31Å; S88-T93 WeakPolarHBondContact CB-OG1 3.32Å; S88-T93 PolarHBondContact N-O 2.97Å; S88-T93 PolarHBondContact O-N 2.99Å; N91-T93 VanDerWaalsContact C-N 3.32Å; N91-T93 HydrophobicContact CB-CG2 3.93Å; N91-T93 WeakPolarHBondContact O-CG2 3.34Å; N91-T93 PolarHBondContact O-N 3.37Å; T93-H95 VanDerWaalsContact CB-CE1 3.49Å; T93-H95 WeakPolarHBondContact CB-CE1 3.35Å
94	F	97.1	Very high	96.2	Very high	0 Å²	0	56.9 Å²	56.9	0%	0	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	62.2	-179.4	-164.7	-115.5	0	0	0	111	C40 Y42 L51 W53 L66 R68 V85 H87	C40-F94 PolarHBondContact O-N 2.81Å; Y42-F94 HydrophobicContact CD1-CB 4.39Å; L51-F94 HydrophobicContact CB-CD1 3.76Å; L51-F94 HydrophobicContact CB-CD2 4.03Å; L51-F94 HydrophobicContact CB-CE1 3.66Å; L51-F94 HydrophobicContact CB-CE2 3.96Å; L51-F94 HydrophobicContact CB-CG 3.94Å; L51-F94 HydrophobicContact CB-CZ 3.76Å; L51-F94 HydrophobicContact CD1-CB 4.02Å; L51-F94 HydrophobicContact CD1-CD1 4.49Å; L51-F94 HydrophobicContact CD1-CD2 3.8Å; L51-F94 HydrophobicContact CD1-CE2 4.38Å; L51-F94 HydrophobicContact CD1-CG 3.87Å; L51-F94 HydrophobicContact CG-CG 4.44Å; W53-F94 AromaticContact CD1-CD1 3.51Å; W53-F94 AromaticContact CD1-CE1 3.33Å; W53-F94 HydrophobicContact CG-CE1 4.4Å; W53-F94 AromaticContact NE1-CD1 3.36Å; W53-F94 AromaticContact NE1-CE1 3.72Å; W53-F94 PolarHBondContact NE1-O 3.23Å; L66-F94 HydrophobicContact CD1-CE1 3.87Å; L66-F94 HydrophobicContact CD1-CZ 3.61Å; R68-F94 HydrophobicContact CB-CE2 3.66Å; R68-F94 HydrophobicContact CB-CZ 3.89Å; R68-F94 HydrophobicContact CG-CE2 3.62Å; R68-F94 HydrophobicContact CG-CZ 3.75Å; V85-F94 HydrophobicContact CB-CE2 4.4Å; V85-F94 HydrophobicContact CG1-CE2 4.1Å; V85-F94 HydrophobicContact CG2-CD1 4.24Å; V85-F94 HydrophobicContact CG2-CD2 3.64Å; V85-F94 HydrophobicContact CG2-CE1 4.18Å; V85-F94 HydrophobicContact CG2-CE2 3.54Å; V85-F94 HydrophobicContact CG2-CG 4Å; V85-F94 HydrophobicContact CG2-CZ 3.84Å; H87-F94 HydrophobicContact CB-CD2 3.86Å; H87-F94 HydrophobicContact CB-CE2 4.16Å; H87-F94 AromaticContact CD2-CD2 3.89Å; H87-F94 AromaticContact CG-CD2 3.61Å; H87-F94 AromaticContact CG-CE2 3.96Å; H87-F94 AromaticContact ND1-CD2 3.83Å; H87-F94 AromaticContact ND1-CE2 3.79Å
95	H	98.1	Very high	96.1	Very high	34 Å²	34	54.4 Å²	54.4	16%	0.157	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	128.8	-170.2	-53.7	-25.2	0	0	0	111.9	T37 L38 L39 C40 V85 K86 T93	T37-H95 HydrophobicContact CG2-CB 3.82Å; L38-H95 CarbonylContact O-C 3.46Å; L38-H95 VanDerWaalsContact O-CA 3.24Å; L38-H95 WeakPolarHBondContact O-CA 3.36Å; L38-H95 WeakPolarHBondContact O-CB 3.26Å; L39-H95 HydrophobicContact CD2-CB 4.45Å; C40-H95 PolarHBondContact N-ND1 2.85Å; C40-H95 VanDerWaalsContact N-ND1 3.11Å; C40-H95 PolarHBondContact O-CE1 3.19Å; C40-H95 PolarHBondContact O-ND1 2.82Å; V85-H95 CarbonylContact C-O 3.48Å; V85-H95 WeakPolarHBondContact CA-O 3.34Å; V85-H95 VanDerWaalsContact CG2-O 3.29Å; V85-H95 WeakPolarHBondContact CG2-O 3.43Å; K86-H95 HydrophobicContact CB-CB 4.27Å; K86-H95 PolarHBondContact N-O 2.86Å; K86-H95 PolarHBondContact O-N 2.71Å; T93-H95 VanDerWaalsContact CB-CE1 3.49Å; T93-H95 WeakPolarHBondContact CB-CE1 3.35Å
96	L	98.3	Very high	96	Very high	0 Å²	0	56.8 Å²	56.8	0%	0	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	130.4	175.1	-173.6	69.4	0	0	0	109.8	T37 L38 W53 I65 L66 F83 I98 Y109	T37-L96 CarbonylContact C-O 3.58Å; T37-L96 WeakPolarHBondContact CA-O 3.1Å; L38-L96 HydrophobicContact CB-CB 4.31Å; L38-L96 HydrophobicContact CD1-CD2 4.25Å; L38-L96 PolarHBondContact N-O 3.3Å; L38-L96 PolarHBondContact O-N 2.65Å; W53-L96 HydrophobicContact CB-CD1 4.43Å; W53-L96 HydrophobicContact CB-CD2 4.37Å; W53-L96 HydrophobicContact CD2-CB 3.82Å; W53-L96 HydrophobicContact CD2-CD2 4.11Å; W53-L96 HydrophobicContact CD2-CG 4.46Å; W53-L96 HydrophobicContact CE3-CB 4.43Å; W53-L96 HydrophobicContact CE3-CD2 4.23Å; W53-L96 HydrophobicContact CG-CB 4.07Å; W53-L96 HydrophobicContact CG-CD1 4.21Å; W53-L96 HydrophobicContact CG-CD2 4.18Å; W53-L96 HydrophobicContact CG-CG 4.4Å; W53-L96 HydrophobicContact CZ2-CB 3.94Å; I65-L96 HydrophobicContact CD1-CD2 3.94Å; I65-L96 HydrophobicContact CG2-CD1 4.17Å; I65-L96 HydrophobicContact CG2-CD2 4.48Å; L66-L96 HydrophobicContact CD2-CD1 3.62Å; L66-L96 HydrophobicContact CG-CD1 4.24Å; F83-L96 HydrophobicContact CD1-CD1 4.24Å; F83-L96 HydrophobicContact CD1-CD2 4.2Å; F83-L96 HydrophobicContact CD1-CG 4.43Å; F83-L96 HydrophobicContact CE1-CD2 4.39Å; L96-I98 HydrophobicContact CD2-CD1 4.34Å; L96-I98 HydrophobicContact CD2-CG1 4.38Å; L96-I98 HydrophobicContact CG-CG1 4.36Å; L96-Y109 HydrophobicContact CD2-CD1 3.71Å; L96-Y109 HydrophobicContact CD2-CE1 4.04Å
97	V	98	Very high	95.9	Very high	4 Å²	4	53 Å²	53	2%	0.024	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	133.3	174.6	-176.2	0	0	0	0	108.5	E35 V36 T37 F83 S84 K86	E35-V97 HydrophobicContact CG-CG1 3.8Å; V36-V97 WeakPolarHBondContact O-CA 3.33Å; T37-V97 HydrophobicContact CG2-CG2 4.2Å; F83-V97 CarbonylContact C-O 3.56Å; F83-V97 VanDerWaalsContact CA-O 3.28Å; F83-V97 WeakPolarHBondContact CA-O 3.31Å; S84-V97 PolarHBondContact N-O 2.56Å; S84-V97 PolarHBondContact O-N 2.91Å; K86-V97 HydrophobicContact CD-CG2 3.78Å; K86-V97 HydrophobicContact CG-CG2 3.87Å
98	I	97.9	Very high	95.9	Very high	4 Å²	4	54 Å²	54	2%	0.021	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	119.5	175.6	-48.3	173.8	0	0	0	107.6	E35 V36 R82 F83 L96 V101 Y109	E35-I98 WeakPolarHBondContact CA-O 3.34Å; V36-I98 HydrophobicContact CG1-CB 3.89Å; V36-I98 HydrophobicContact CG1-CD1 4.32Å; V36-I98 HydrophobicContact CG1-CG1 4.32Å; V36-I98 PolarHBondContact N-O 3.43Å; V36-I98 PolarHBondContact O-N 3.31Å; R82-I98 CarbonylContact O-C 3.59Å; R82-I98 WeakPolarHBondContact O-CA 3.18Å; F83-I98 HydrophobicContact CD1-CD1 4.14Å; F83-I98 HydrophobicContact CD1-CG1 3.73Å; F83-I98 HydrophobicContact CD2-CG2 4.09Å; F83-I98 HydrophobicContact CE1-CB 4.46Å; F83-I98 HydrophobicContact CE1-CD1 3.44Å; F83-I98 VanDerWaalsContact CE1-CD1 3.44Å; F83-I98 HydrophobicContact CE1-CG1 3.54Å; F83-I98 HydrophobicContact CE1-CG2 4.18Å; F83-I98 HydrophobicContact CE2-CG2 3.66Å; F83-I98 HydrophobicContact CG-CG1 4.3Å; F83-I98 HydrophobicContact CG-CG2 4.49Å; F83-I98 HydrophobicContact CZ-CB 4.45Å; F83-I98 HydrophobicContact CZ-CD1 3.78Å; F83-I98 HydrophobicContact CZ-CG1 3.95Å; F83-I98 HydrophobicContact CZ-CG2 3.69Å; L96-I98 HydrophobicContact CD2-CD1 4.34Å; L96-I98 HydrophobicContact CD2-CG1 4.38Å; L96-I98 HydrophobicContact CG-CG1 4.36Å; I98-V101 HydrophobicContact CB-CG2 4.15Å; I98-V101 HydrophobicContact CG2-CG2 4.02Å; I98-Y109 HydrophobicContact CD1-CE1 3.88Å; I98-Y109 HydrophobicContact CD1-CE2 4.37Å
99	S	97.7	Very high	96	Very high	44 Å²	44	53.6 Å²	53.6	31%	0.308	30%	0.304	S	S	.	.	S	Bend	trans	-158.3	121.1	-177.5	-170.3	0	0	0	0	111.5	R82	R82-S99 VanDerWaalsContact CA-O 3.28Å; R82-S99 WeakPolarHBondContact CA-O 3.48Å; R82-S99 PolarHBondContact O-N 3.02Å
100	P	97.7	Very high	96.2	Very high	64 Å²	64	53.4 Å²	53.4	42%	0.416	30%	0.301	S	S	.	.	S	Bend	cis	-73	142.9	-8.9	29.2	-33.6	0	0	0	111.7	R82	R82-P100 PolarHBondContact NH1-O 3.48Å
101	V	97.5	Very high	96.4	Very high	16 Å²	16	49.4 Å²	49.4	10%	0.097	27%	0.267	C	S	.	.			trans	-67.4	137.9	167.8	175.1	0	0	0	0	110.2	V30 S32 G33 T34 V36 I98 D105	V30-V101 HydrophobicContact CG2-CB 4.43Å; V30-V101 HydrophobicContact CG2-CG1 3.94Å; V30-V101 HydrophobicContact CG2-CG2 4.33Å; S32-V101 PolarHBondContact OG-O 2.77Å; G33-V101 PolarHBondContact N-O 3Å; T34-V101 WeakPolarHBondContact O-CG2 3.44Å; T34-V101 PolarHBondContact O-N 3.16Å; V36-V101 HydrophobicContact CB-CG2 4.06Å; V36-V101 HydrophobicContact CG1-CG2 3.44Å; V36-V101 VanDerWaalsContact CG1-CG2 3.44Å; I98-V101 HydrophobicContact CB-CG2 4.15Å; I98-V101 HydrophobicContact CG2-CG2 4.02Å; V101-D105 HydrophobicContact CG1-CB 4.48Å
102	S	96	Very high	96.5	Very high	31 Å²	31	45 Å²	45	22%	0.217	25%	0.248	C	C	.	.			trans	-120.2	165.3	170.2	80.9	0	0	0	0	111.3	E104 D105	S102-E104 PolarHBondContact O-N 3Å; S102-E104 PolarHBondContact OG-N 2.76Å; S102-D105 PolarHBondContact N-OD2 2.78Å; S102-D105 WeakPolarHBondContact O-CB 3.47Å; S102-D105 PolarHBondContact O-N 2.91Å; S102-D105 PolarHBondContact OG-OD2 3.04Å
103	L	93.7	Very high	96.4	Very high	143 Å²	143	42.2 Å²	42.2	75%	0.749	24%	0.243	S	C	*	.	G	3₁₀ helix	trans	-57.5	-30.6	176.7	-67.6	175	0	0	0	112.8	D105 S106	L103-D105 PolarHBondContact O-N 3.29Å; L103-S106 WeakPolarHBondContact O-CB 3.33Å; L103-S106 PolarHBondContact O-N 2.99Å; L103-S106 PolarHBondContact O-OG 3.27Å
104	E	93.2	Very high	95.9	Very high	141 Å²	141	42.1 Å²	42.1	66%	0.659	25%	0.247	S	C	*	.	G	3₁₀ helix	trans	-68.3	-14.9	179.2	-59.4	-173.6	160.3	0	0	113.6	R57 S102 S106	R57-E104 PolarHBondContact NE-O 3.03Å; R57-E104 VanDerWaalsContact NE-O 3.07Å; R57-E104 PolarHBondContact NH2-O 3.41Å; S102-E104 PolarHBondContact O-N 3Å; S102-E104 PolarHBondContact OG-N 2.76Å; E104-S106 VanDerWaalsContact C-N 3.28Å
105	D	95.1	Very high	94.5	Very high	8 Å²	8	50.5 Å²	50.5	4%	0.043	28%	0.28	C	S	.	.	G	3₁₀ helix	trans	-83.5	-3.6	177.6	-57.4	-38.4	0	0	0	112.7	R55 R82 F83 V101 S102 L103 A107 Y109	R55-D105 IonicContact NH1-OD1 3.58Å; R82-D105 IonicContact CZ-OD1 3.68Å; R82-D105 IonicContact CZ-OD2 3.59Å; R82-D105 IonicContact NH1-OD1 3.5Å; R82-D105 PolarHBondContact NH1-OD1 3.32Å; R82-D105 IonicContact NH1-OD2 2.67Å; R82-D105 PolarHBondContact NH1-OD2 2.98Å; R82-D105 IonicContact NH2-OD1 2.91Å; R82-D105 PolarHBondContact NH2-OD1 2.95Å; R82-D105 IonicContact NH2-OD2 3.58Å; F83-D105 WeakPolarHBondContact CZ-OD1 3.32Å; V101-D105 HydrophobicContact CG1-CB 4.48Å; S102-D105 PolarHBondContact N-OD2 2.78Å; S102-D105 WeakPolarHBondContact O-CB 3.47Å; S102-D105 PolarHBondContact O-N 2.91Å; S102-D105 PolarHBondContact OG-OD2 3.04Å; L103-D105 PolarHBondContact O-N 3.29Å; D105-A107 PolarHBondContact O-N 3.07Å; D105-Y109 VanDerWaalsContact O-CE2 3.3Å; D105-Y109 WeakPolarHBondContact O-CE2 3.45Å; D105-Y109 PolarHBondContact O-OH 3.22Å
106	S	95	Very high	94.3	Very high	80 Å²	80	51.4 Å²	51.4	56%	0.559	29%	0.286	S	S	*	.			trans	-61.3	105.2	175.5	-55.2	0	0	0	0	110.7	L103 E104	L103-S106 WeakPolarHBondContact O-CB 3.33Å; L103-S106 PolarHBondContact O-N 2.99Å; L103-S106 PolarHBondContact O-OG 3.27Å; E104-S106 VanDerWaalsContact C-N 3.28Å
107	A	95.9	Very high	94.1	Very high	29 Å²	29	54.1 Å²	54.1	24%	0.24	30%	0.301	C	S	.	.	S	Bend	trans	-165.1	167.4	-175.6	0	0	0	0	0	110.7	R55 K56 R57 D105 Y109	R55-A107 HydrophobicContact CB-CB 3.98Å; K56-A107 WeakPolarHBondContact O-CB 3.48Å; R57-A107 HydrophobicContact CG-CB 3.92Å; D105-A107 PolarHBondContact O-N 3.07Å; A107-Y109 HydrophobicContact CB-CD2 4.42Å; A107-Y109 HydrophobicContact CB-CE2 3.9Å; A107-Y109 WeakPolarHBondContact O-CD2 3.34Å
108	T	96.2	Very high	93.9	Very high	77 Å²	77	56.8 Å²	56.8	47%	0.472	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	132.1	161.9	-48.5	0	0	0	0	109	R55 K56 Y110	R55-T108 CarbonylContact C-O 3.6Å; R55-T108 VanDerWaalsContact CA-O 3.27Å; R55-T108 WeakPolarHBondContact CA-O 3.33Å; K56-T108 PolarHBondContact N-O 2.94Å; K56-T108 PolarHBondContact O-N 3.32Å; T108-Y110 HydrophobicContact CG2-CD2 4.35Å; T108-Y110 HydrophobicContact CG2-CE1 4.12Å; T108-Y110 HydrophobicContact CG2-CE2 3.56Å; T108-Y110 VanDerWaalsContact CG2-CZ 3.43Å; T108-Y110 WeakPolarHBondContact CG2-OH 3.29Å
109	Y	97.1	Very high	93.7	Very high	25 Å²	25	59.9 Å²	59.9	10%	0.098	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	135.7	-178.1	-70.9	-97.4	0	0	0	110.7	Q23 L38 Y54 R55 I65 F83 L96 I98 D105 A107	Q23-Y109 PolarHBondContact NE2-O 2.91Å; L38-Y109 VanDerWaalsContact CD1-CB 3.42Å; L38-Y109 HydrophobicContact CD1-CD1 3.85Å; L38-Y109 HydrophobicContact CD1-CD2 3.62Å; L38-Y109 HydrophobicContact CD1-CE2 4.36Å; L38-Y109 HydrophobicContact CD1-CG 3.34Å; Y54-Y109 CarbonylContact O-C 3.53Å; Y54-Y109 WeakPolarHBondContact O-CA 3.38Å; R55-Y109 HydrophobicContact CB-CD1 3.88Å; R55-Y109 HydrophobicContact CB-CE1 3.81Å; R55-Y109 HydrophobicContact CB-CG 4.37Å; R55-Y109 HydrophobicContact CG-CE1 4.46Å; I65-Y109 HydrophobicContact CD1-CD1 3.42Å; I65-Y109 VanDerWaalsContact CD1-CD1 3.42Å; I65-Y109 HydrophobicContact CD1-CE1 3.48Å; I65-Y109 VanDerWaalsContact CD1-CE1 3.48Å; F83-Y109 HydrophobicContact CE1-CE1 4Å; L96-Y109 HydrophobicContact CD2-CD1 3.71Å; L96-Y109 HydrophobicContact CD2-CE1 4.04Å; I98-Y109 HydrophobicContact CD1-CE1 3.88Å; I98-Y109 HydrophobicContact CD1-CE2 4.37Å; D105-Y109 VanDerWaalsContact O-CE2 3.3Å; D105-Y109 WeakPolarHBondContact O-CE2 3.45Å; D105-Y109 PolarHBondContact O-OH 3.22Å; A107-Y109 HydrophobicContact CB-CD2 4.42Å; A107-Y109 HydrophobicContact CB-CE2 3.9Å; A107-Y109 WeakPolarHBondContact O-CD2 3.34Å
110	Y	96.9	Very high	93.4	Very high	86 Å²	86	60.9 Å²	60.9	34%	0.337	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	121.2	-175.1	-62	-88.3	0	0	0	109.8	W53 Y54 K56 F62 T108	W53-Y110 WeakPolarHBondContact CA-O 3.4Å; W53-Y110 VanDerWaalsContact CE3-C 3.41Å; Y54-Y110 PolarHBondContact N-O 3.24Å; Y54-Y110 PolarHBondContact O-N 3.37Å; K56-Y110 HydrophobicContact CB-CE2 3.87Å; F62-Y110 HydrophobicContact CD1-CD2 4.25Å; F62-Y110 AromaticContact CE1-CD2 3.56Å; F62-Y110 HydrophobicContact CE1-CD2 3.56Å; F62-Y110 AromaticContact CE1-CE2 3.64Å; F62-Y110 HydrophobicContact CE1-CE2 3.64Å; F62-Y110 HydrophobicContact CE1-CG 4.14Å; F62-Y110 HydrophobicContact CZ-CE2 4.32Å; T108-Y110 HydrophobicContact CG2-CD2 4.35Å; T108-Y110 HydrophobicContact CG2-CE1 4.12Å; T108-Y110 HydrophobicContact CG2-CE2 3.56Å; T108-Y110 VanDerWaalsContact CG2-CZ 3.43Å; T108-Y110 WeakPolarHBondContact CG2-OH 3.29Å
111	C	97.2	Very high	93.1	Very high	11 Å²	11	60.7 Å²	60.7	7%	0.074	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	133.1	165.4	-167.8	0	0	0	0	107.5	L21 Q23 C40 F52 W53	L21-C111 WeakPolarHBondContact CD1-O 3.45Å; Q23-C111 HydrophobicContact CG-CB 3.91Å; C40-C111 HydrophobicContact CB-CB 3.53Å; C40-C111 WeakPolarHBondContact CB-SG 3.39Å; C40-C111 WeakPolarHBondContact SG-CB 3.48Å; C40-C111 CovalentContact SG-SG 2.03Å; C40-C111 PolarHBondContact SG-SG 3.19Å; F52-C111 WeakPolarHBondContact O-CA 3.44Å; W53-C111 HydrophobicContact CD2-CB 4.29Å; W53-C111 HydrophobicContact CE3-CB 4.25Å; W53-C111 HydrophobicContact CH2-CB 3.89Å; W53-C111 HydrophobicContact CZ2-CB 3.92Å; W53-C111 HydrophobicContact CZ3-CB 4.05Å
112	A	96	Very high	92.8	Very high	28 Å²	28	63.9 Å²	63.9	23%	0.231	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	162	-179.5	0	0	0	0	0	110.5	F52 Y54	F52-A112 HydrophobicContact CB-CB 4.2Å; F52-A112 PolarHBondContact N-O 3.42Å; F52-A112 PolarHBondContact O-N 2.94Å; Y54-A112 HydrophobicContact CD2-CB 3.94Å; Y54-A112 HydrophobicContact CE2-CB 3.91Å
113	S	93.1	Very high	92.6	Very high	40 Å²	40	66.5 Å²	66.5	28%	0.28	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	148	179.1	59.1	0	0	0	0	111.2	I19 D50	I19-S113 WeakPolarHBondContact CB-OG 3.35Å; I19-S113 WeakPolarHBondContact CG2-OG 3.44Å; D50-S113 CarbonylContact O-C 3.58Å; D50-S113 WeakPolarHBondContact O-CA 3.32Å; D50-S113 WeakPolarHBondContact O-CB 3.33Å
114	G	85.8	Confident	92.5	Very high	19 Å²	19	60.1 Å²	60.1	20%	0.196	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	-177.3	178.5	0	0	0	0	0	112.8	I19 D50	I19-G114 WeakPolarHBondContact CD1-O 3.04Å; D50-G114 PolarHBondContact O-N 3.24Å
115	Y	67.9	Low	92.4	Very high	177 Å²	177	52.7 Å²	52.7	69%	0.694	29%	0.293	S	S	*	.			trans	-132.1	0	172.9	-76.7	-71.8	0	0	0	110.1	L17 C18 I19	L17-Y115 HydrophobicContact CB-CD1 4.42Å; L17-Y115 HydrophobicContact CB-CE1 3.45Å; L17-Y115 VanDerWaalsContact CB-CE1 3.45Å; L17-Y115 HydrophobicContact CB-CE2 4.44Å; L17-Y115 VanDerWaalsContact CB-CZ 3.49Å; L17-Y115 WeakPolarHBondContact CB-OH 3.38Å; L17-Y115 HydrophobicContact CD1-CD1 4.3Å; L17-Y115 HydrophobicContact CD1-CE1 4.01Å; L17-Y115 HydrophobicContact CG-CE1 4.31Å; L17-Y115 PolarHBondContact O-OH 3.04Å; C18-Y115 WeakPolarHBondContact CA-OH 3.36Å; C18-Y115 PolarHBondContact N-OH 3.33Å; C18-Y115 VanDerWaalsContact N-OH 3.16Å; I19-Y115 HydrophobicContact CD1-CD1 4.37Å; I19-Y115 HydrophobicContact CD1-CE1 3.75Å; I19-Y115 HydrophobicContact CD1-CE2 4.11Å; I19-Y115 HydrophobicContact CG1-CE1 4.31Å; I19-Y115 VanDerWaalsContact CG1-OH 3.31Å; I19-Y115 WeakPolarHBondContact CG1-OH 3.4Å; I19-Y115 PolarHBondContact N-OH 2.67Å

Retrieved 115 of 115 residues in 180 ms (Link to these results)

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