A0A075B6A6_MOUSE Loading...

T cell receptor alpha variable 6N-7

AlphaFold DB , UniProt , Accession A0A075B6A6, Species MOUSE (Mus musculus, Mouse), Gene Trav6n-7, Length 116 aa.

						>A0A075B6A6_MOUSE|A0A075B6A6|Trav6n-7
MGLKMNSSPGFMTVMLLIFTRAHGDSVTQTEGQVALSEEDFLTIHCNYSASGYPALFWYVQYPGEGPQFLFRASRDKEKGSSRGFEATYDKGTTSFHLRKASVQESDSAVYYCALG
					

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	43.2	Very low	57.2	Low	249 Å²	249	145.2 Å²	145.2	100%	1.227	84%	0.837	S	S	*	*				0	95.5	0	-140.7	137.3	83.6	0	0	107.2
2	G	45.9	Very low	58.3	Low	76 Å²	76	147.8 Å²	147.8	78%	0.784	84%	0.839	S	S	*	*			trans	-127.8	95.8	-178.8	0	0	0	0	0	108.6	K4	G2-K4 PolarHBondContact O-N 3.17Å; G2-K4 VanDerWaalsContact O-N 3.17Å
3	L	52.2	Low	59.4	Low	165 Å²	165	144.3 Å²	144.3	86%	0.864	82%	0.823	S	S	*	*			trans	-74.2	103.3	176.3	-72.4	168.5	0	0	0	108	M5	L3-M5 PolarHBondContact O-N 3.17Å
4	K	51.4	Low	60.8	Low	191 Å²	191	142.5 Å²	142.5	83%	0.83	82%	0.816	S	S	*	*			trans	-80.1	94.7	175	-149.4	167.5	-176	172.2	0	107.6	G2 N6	G2-K4 PolarHBondContact O-N 3.17Å; G2-K4 VanDerWaalsContact O-N 3.17Å; K4-N6 PolarHBondContact O-N 2.78Å
5	M	65.7	Low	61.7	Low	177 Å²	177	143.6 Å²	143.6	87%	0.872	81%	0.814	S	S	*	*			trans	-72.9	98.7	172.9	-76.7	162.8	55.9	0	0	108.8	L3 S7	L3-M5 PolarHBondContact O-N 3.17Å; M5-S7 PolarHBondContact O-N 3.27Å
6	N	55.8	Low	62.2	Low	142 Å²	142	143.5 Å²	143.5	76%	0.759	81%	0.809	S	S	*	*			trans	-74.7	109.9	168.6	-71.4	-12.4	0	0	0	108.1	K4 S8	K4-N6 PolarHBondContact O-N 2.78Å; N6-S8 PolarHBondContact O-N 3.25Å
7	S	61.4	Low	62.8	Low	116 Å²	116	142.2 Å²	142.2	81%	0.811	80%	0.799	S	S	*	*			trans	-64	111.6	174.7	-177.2	0	0	0	0	109.2	M5	M5-S7 PolarHBondContact O-N 3.27Å
8	S	65.4	Low	63.3	Low	106 Å²	106	142.7 Å²	142.7	74%	0.741	80%	0.798	S	S	*	*	P	Polyproline II helix	trans	-70.4	128	172	-170.1	0	0	0	0	108.8	N6 G10	N6-S8 PolarHBondContact O-N 3.25Å; S8-G10 PolarHBondContact O-N 3.26Å
9	P	55.9	Low	63.4	Low	113 Å²	113	144.4 Å²	144.4	73%	0.734	80%	0.796	S	S	*	*	P	Polyproline II helix	trans	-66.1	123.6	-178.8	26.4	-31.2	0	0	0	109.4	F11	P9-F11 PolarHBondContact O-N 3.22Å
10	G	61.8	Low	63.6	Low	73 Å²	73	143.6 Å²	143.6	75%	0.753	80%	0.796	S	S	*	*	P	Polyproline II helix	trans	-54.8	123.5	-178.1	0	0	0	0	0	111.6	S8 M12	S8-G10 PolarHBondContact O-N 3.26Å; G10-M12 PolarHBondContact O-N 3.17Å; G10-M12 VanDerWaalsContact O-N 3.07Å
11	F	70.3	Confident	63.6	Low	189 Å²	189	146.5 Å²	146.5	83%	0.829	80%	0.795	S	S	*	*			trans	-67.8	102.7	175	-139.8	-98.4	0	0	0	108.1	P9 T13	P9-F11 PolarHBondContact O-N 3.22Å; F11-T13 PolarHBondContact O-N 2.94Å; F11-T13 VanDerWaalsContact O-N 3.12Å
12	M	71.1	Confident	64.7	Low	176 Å²	176	139.1 Å²	139.1	87%	0.867	77%	0.773	S	S	*	*			trans	-75.4	95.8	172.3	-102.7	-69.2	-135.7	0	0	108.5	G10 V14	G10-M12 PolarHBondContact O-N 3.17Å; G10-M12 VanDerWaalsContact O-N 3.07Å; M12-V14 PolarHBondContact O-N 3.18Å
13	T	72.5	Confident	65.8	Low	103 Å²	103	142.8 Å²	142.8	63%	0.632	77%	0.77	S	S	*	*			trans	-81.1	104.5	177	-27	0	0	0	0	109.4	F11 M15	F11-T13 PolarHBondContact O-N 2.94Å; F11-T13 VanDerWaalsContact O-N 3.12Å; T13-M15 PolarHBondContact O-N 3.22Å
14	V	78.4	Confident	67.3	Low	119 Å²	119	137.3 Å²	137.3	72%	0.721	75%	0.753	S	S	*	*			trans	-79.2	101.1	171.8	178.8	0	0	0	0	108.6	M12 L16	M12-V14 PolarHBondContact O-N 3.18Å; V14-L16 HydrophobicContact CG1-CD1 3.89Å; V14-L16 PolarHBondContact O-N 3.35Å
15	M	74.8	Confident	69.3	Low	159 Å²	159	132 Å²	132	78%	0.783	73%	0.733	S	S	*	*			trans	-78.5	90.4	171.3	-80.9	-98.5	-171.8	0	0	109.6	T13 L17	T13-M15 PolarHBondContact O-N 3.22Å; M15-L17 PolarHBondContact O-N 2.76Å
16	L	69.6	Low	70.7	Confident	142 Å²	142	126 Å²	126	74%	0.743	71%	0.709	S	S	*	*			trans	-73.1	93.8	171.2	-131	87.1	0	0	0	108.7	V14 I18	V14-L16 HydrophobicContact CG1-CD1 3.89Å; V14-L16 PolarHBondContact O-N 3.35Å; L16-I18 VanDerWaalsContact C-N 3.33Å; L16-I18 PolarHBondContact O-N 3.05Å
17	L	71.5	Confident	72.6	Confident	122 Å²	122	121.4 Å²	121.4	64%	0.639	69%	0.686	S	S	*	*			trans	-71.2	90.9	172.3	-69.3	167.8	0	0	0	108.7	M15 F19	M15-L17 PolarHBondContact O-N 2.76Å; L17-F19 HydrophobicContact CB-CD2 4.13Å; L17-F19 HydrophobicContact CB-CE2 3.68Å; L17-F19 HydrophobicContact CB-CZ 4.1Å; L17-F19 HydrophobicContact CD1-CE2 4.17Å; L17-F19 HydrophobicContact CD1-CZ 4.03Å; L17-F19 WeakPolarHBondContact O-CD2 3.25Å; L17-F19 PolarHBondContact O-N 3.09Å
18	I	72.7	Confident	74.3	Confident	151 Å²	151	119.8 Å²	119.8	77%	0.774	67%	0.671	S	S	*	*			trans	-70.5	88.1	167.4	-0.5	174.5	0	0	0	106.9	L16 T20	L16-I18 VanDerWaalsContact C-N 3.33Å; L16-I18 PolarHBondContact O-N 3.05Å; I18-T20 VanDerWaalsContact C-N 3.3Å; I18-T20 PolarHBondContact O-N 3.13Å
19	F	64.4	Low	75.9	Confident	174 Å²	174	117.9 Å²	117.9	76%	0.763	65%	0.651	S	S	*	*			trans	-66.9	96.7	166.3	-68	-78.3	0	0	0	107	L17 R21	L17-F19 HydrophobicContact CB-CD2 4.13Å; L17-F19 HydrophobicContact CB-CE2 3.68Å; L17-F19 HydrophobicContact CB-CZ 4.1Å; L17-F19 HydrophobicContact CD1-CE2 4.17Å; L17-F19 HydrophobicContact CD1-CZ 4.03Å; L17-F19 WeakPolarHBondContact O-CD2 3.25Å; L17-F19 PolarHBondContact O-N 3.09Å; F19-R21 PolarHBondContact O-N 2.92Å; F19-R21 VanDerWaalsContact O-N 3.1Å
20	T	67.9	Low	77.3	Confident	128 Å²	128	116.9 Å²	116.9	79%	0.785	64%	0.643	S	S	*	*			trans	-59.1	117	162.9	47.8	0	0	0	0	106.1	I18 A22	I18-T20 VanDerWaalsContact C-N 3.3Å; I18-T20 PolarHBondContact O-N 3.13Å; T20-A22 PolarHBondContact O-N 2.89Å
21	R	64.2	Low	78.1	Confident	206 Å²	206	117.5 Å²	117.5	78%	0.777	63%	0.626	S	S	*	*			trans	-61.1	105.4	173.9	-177	175.9	-65.3	-158.1	-0.1	106.5	F19 H23	F19-R21 PolarHBondContact O-N 2.92Å; F19-R21 VanDerWaalsContact O-N 3.1Å; R21-H23 PolarHBondContact O-CD2 3.03Å; R21-H23 PolarHBondContact O-N 2.98Å
22	A	65	Low	78.9	Confident	93 Å²	93	111.9 Å²	111.9	77%	0.769	62%	0.621	S	S	*	*			trans	-66.4	100.6	172.4	0	0	0	0	0	107	T20 G24	T20-A22 PolarHBondContact O-N 2.89Å; A22-G24 VanDerWaalsContact C-N 3.27Å; A22-G24 PolarHBondContact O-N 2.98Å
23	H	69.4	Low	79.8	Confident	154 Å²	154	112.8 Å²	112.8	71%	0.713	62%	0.623	S	S	*	*			trans	-71.6	92.8	166.2	-73.7	-85.2	0	0	0	106.4	R21	R21-H23 PolarHBondContact O-CD2 3.03Å; R21-H23 PolarHBondContact O-N 2.98Å
24	G	84.4	Confident	80.8	Confident	50 Å²	50	111.2 Å²	111.2	52%	0.515	61%	0.613	S	S	.	*			trans	-76.7	141.7	172.5	0	0	0	0	0	110.3	A22	A22-G24 VanDerWaalsContact C-N 3.27Å; A22-G24 PolarHBondContact O-N 2.98Å
25	D	92.2	Very high	81.5	Confident	78 Å²	78	110 Å²	110	42%	0.417	62%	0.616	S	S	.	*			trans	-69.1	136.7	169.1	-65.4	-7.6	0	0	0	108.8	S49 A50 S51 L115	D25-S49 CarbonylContact C-O 3.59Å; D25-S49 WeakPolarHBondContact CA-O 2.95Å; D25-A50 HydrophobicContact CB-CB 4.1Å; D25-A50 WeakPolarHBondContact OD1-CA 3.49Å; D25-S51 PolarHBondContact OD1-N 3.25Å; D25-L115 HydrophobicContact CB-CD1 3.59Å; D25-L115 HydrophobicContact CB-CD2 4.05Å
26	S	95.6	Very high	82.5	Confident	52 Å²	52	106 Å²	106	36%	0.364	60%	0.597	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-148.9	155	-177.2	54.8	0	0	0	0	113	Y48 S49 L115	S26-Y48 CarbonylContact O-C 3.59Å; S26-Y48 VanDerWaalsContact O-CA 3.27Å; S26-Y48 WeakPolarHBondContact O-CA 3.27Å; S26-S49 PolarHBondContact N-O 3.01Å; S26-S49 PolarHBondContact O-N 3.01Å; S26-L115 VanDerWaalsContact CA-CD2 3.45Å; S26-L115 VanDerWaalsContact N-CD2 3.26Å; S26-L115 VanDerWaalsContact O-CD2 3.24Å; S26-L115 WeakPolarHBondContact O-CD2 3.16Å
27	V	97	Very high	83.8	Confident	46 Å²	46	103.1 Å²	103.1	28%	0.279	59%	0.589	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-111.1	149	164.9	-68.1	0	0	0	0	109.5	N47 C113 L115	V27-N47 CarbonylContact C-O 3.48Å; V27-N47 VanDerWaalsContact CA-O 3.27Å; V27-N47 WeakPolarHBondContact CA-O 2.98Å; V27-C113 WeakPolarHBondContact CG2-O 3.46Å; V27-L115 HydrophobicContact CG1-CB 3.99Å; V27-L115 HydrophobicContact CG1-CD2 3.8Å; V27-L115 HydrophobicContact CG1-CG 4.23Å
28	T	97.1	Very high	85	Confident	81 Å²	81	103.3 Å²	103.3	50%	0.497	59%	0.587	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-127.1	123.8	174.3	-59.2	0	0	0	0	109.2	C46 N47	T28-C46 WeakPolarHBondContact O-CA 3.3Å; T28-N47 PolarHBondContact N-O 2.89Å; T28-N47 PolarHBondContact O-N 3.02Å
29	Q	97.5	Very high	86.1	Confident	67 Å²	67	103.8 Å²	103.8	31%	0.313	59%	0.585	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-104.6	126	170.6	-69.8	179.3	-115.9	0	0	109.2	H45 C46 Y111 C113	Q29-H45 VanDerWaalsContact CA-O 3.28Å; Q29-H45 WeakPolarHBondContact CA-O 3.48Å; Q29-C46 HydrophobicContact CG-CB 4.47Å; Q29-Y111 PolarHBondContact NE2-O 3.39Å; Q29-C113 HydrophobicContact CG-CB 4.09Å
30	T	86.6	Confident	87.7	Confident	92 Å²	92	98.6 Å²	98.6	56%	0.564	57%	0.566	S	S	*	*			trans	-88.3	-30.5	-173.4	-44.2	0	0	0	0	112.4	H45	T30-H45 PolarHBondContact N-O 3.07Å
31	E	78.9	Confident	89.1	Confident	86 Å²	86	98.2 Å²	98.2	40%	0.402	55%	0.554	S	S	.	*			trans	-85.7	133	-178.9	-56.8	-52.2	139.1	0	0	111	V34 H45	E31-V34 HydrophobicContact CB-CG2 4.07Å; E31-H45 IonicContact OE1-CD2 3.68Å
32	G	85.9	Confident	90.7	Very high	70 Å²	70	89.2 Å²	89.2	72%	0.722	52%	0.521	S	S	*	.			trans	-85.8	-126.8	168.6	0	0	0	0	0	110.6
33	Q	91.1	Very high	92.2	Very high	196 Å²	196	86.5 Å²	86.5	92%	0.916	49%	0.494	S	S	*	.			trans	-78.6	128.6	172.6	-170	179.5	-58.1	0	0	110.3
34	V	92.1	Very high	93.5	Very high	69 Å²	69	80.1 Å²	80.1	42%	0.418	47%	0.465	S	S	.	.			trans	-117.5	136.8	175.9	-172.7	0	0	0	0	107.9	E31 L36	E31-V34 HydrophobicContact CB-CG2 4.07Å; V34-L36 HydrophobicContact CG1-CD1 4.29Å; V34-L36 HydrophobicContact CG1-CD2 3.8Å; V34-L36 HydrophobicContact CG1-CG 3.78Å
35	A	94.6	Very high	94.2	Very high	94 Å²	94	80.9 Å²	80.9	78%	0.777	46%	0.456	S	S	*	.			trans	-115.4	123.3	170	0	0	0	0	0	108.4
36	L	94.5	Very high	94.4	Very high	75 Å²	75	77.2 Å²	77.2	39%	0.393	44%	0.436	S	S	.	.			trans	-125.3	155.4	-177.7	-63.1	178.8	0	0	0	109.5	V34 D40 L42 V103	V34-L36 HydrophobicContact CG1-CD1 4.29Å; V34-L36 HydrophobicContact CG1-CD2 3.8Å; V34-L36 HydrophobicContact CG1-CG 3.78Å; L36-D40 HydrophobicContact CB-CB 4.05Å; L36-D40 HydrophobicContact CD2-CB 4.46Å; L36-L42 HydrophobicContact CD1-CB 3.83Å; L36-L42 HydrophobicContact CD1-CD1 3.74Å; L36-L42 HydrophobicContact CD1-CG 4.31Å; L36-V103 HydrophobicContact CB-CG2 4.07Å; L36-V103 HydrophobicContact CD1-CG1 4.28Å; L36-V103 HydrophobicContact CD1-CG2 4.38Å
37	S	97.1	Very high	94.5	Very high	82 Å²	82	77.4 Å²	77.4	57%	0.573	43%	0.433	S	S	*	.			trans	-83.4	159.2	169.2	-52.3	0	0	0	0	109.8	D40 V103	S37-D40 PolarHBondContact N-OD2 3.09Å; S37-D40 VanDerWaalsContact O-CB 3.25Å; S37-D40 WeakPolarHBondContact O-CB 3.5Å; S37-D40 PolarHBondContact O-N 3.17Å; S37-V103 WeakPolarHBondContact O-CG2 3.47Å
38	E	96.9	Very high	94.5	Very high	126 Å²	126	76 Å²	76	59%	0.589	42%	0.422	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.8	148.4	170.7	-65.2	-160.7	128.9	0	0	110.7	D40 V103 E105	E38-D40 PolarHBondContact O-N 2.81Å; E38-V103 WeakPolarHBondContact CA-O 3.48Å; E38-E105 PolarHBondContact OE1-N 2.87Å
39	E	96.9	Very high	94.4	Very high	160 Å²	160	75.4 Å²	75.4	75%	0.748	42%	0.422	S	S	*	.	T	Hydrogen-bonded Turn	trans	71.2	-6.2	-176.7	-48.1	178.6	166	0	0	115.8	S102 V103	E39-S102 WeakPolarHBondContact CA-OG 3.29Å; E39-V103 PolarHBondContact N-O 3.04Å
40	D	97.8	Very high	94.2	Very high	65 Å²	65	73.5 Å²	73.5	35%	0.348	42%	0.418	S	S	.	.			trans	-63.1	152.1	172.8	-75.9	-18	0	0	0	111.9	L36 S37 E38 V103	L36-D40 HydrophobicContact CB-CB 4.05Å; L36-D40 HydrophobicContact CD2-CB 4.46Å; S37-D40 PolarHBondContact N-OD2 3.09Å; S37-D40 VanDerWaalsContact O-CB 3.25Å; S37-D40 WeakPolarHBondContact O-CB 3.5Å; S37-D40 PolarHBondContact O-N 3.17Å; E38-D40 PolarHBondContact O-N 2.81Å; D40-V103 HydrophobicContact CB-CG2 4.06Å; D40-V103 WeakPolarHBondContact O-CG2 3.35Å; D40-V103 PolarHBondContact O-N 3.25Å
41	F	97.5	Very high	94.3	Very high	121 Å²	121	74.8 Å²	74.8	53%	0.531	43%	0.43	S	S	.	.			trans	-84.3	126.2	172.4	177.6	-101.3	0	0	0	110.7	T43 R99 K100	F41-T43 WeakPolarHBondContact CE1-OG1 3.46Å; F41-T43 WeakPolarHBondContact CZ-OG1 3.39Å; F41-R99 HydrophobicContact CE2-CB 4.43Å; F41-R99 HydrophobicContact CZ-CB 4.26Å; F41-R99 HydrophobicContact CZ-CG 4.22Å; F41-K100 VanDerWaalsContact CD2-O 3.3Å; F41-K100 WeakPolarHBondContact CD2-O 3.25Å
42	L	96	Very high	94.7	Very high	17 Å²	17	72.5 Å²	72.5	9%	0.089	43%	0.43	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	135.3	176.9	172.2	65.2	0	0	0	110.9	L36 I44 F85 R99 K100 V103	L36-L42 HydrophobicContact CD1-CB 3.83Å; L36-L42 HydrophobicContact CD1-CD1 3.74Å; L36-L42 HydrophobicContact CD1-CG 4.31Å; L42-I44 HydrophobicContact CD1-CD1 4.48Å; L42-I44 HydrophobicContact CD1-CG1 3.85Å; L42-I44 HydrophobicContact CD2-CD1 4.36Å; L42-I44 HydrophobicContact CD2-CG1 4.38Å; L42-I44 HydrophobicContact CG-CG1 4.16Å; L42-F85 HydrophobicContact CD2-CE1 3.94Å; L42-R99 VanDerWaalsContact O-CA 3.27Å; L42-R99 WeakPolarHBondContact O-CA 3.28Å; L42-K100 HydrophobicContact CB-CB 4.37Å; L42-K100 PolarHBondContact N-O 3.03Å; L42-K100 PolarHBondContact O-N 3.31Å; L42-V103 HydrophobicContact CB-CG1 3.47Å; L42-V103 VanDerWaalsContact CB-CG1 3.47Å; L42-V103 HydrophobicContact CD2-CG1 4.06Å; L42-V103 HydrophobicContact CG-CG1 4.41Å
43	T	97.1	Very high	94.7	Very high	35 Å²	35	77.3 Å²	77.3	22%	0.215	43%	0.427	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	126.1	161.6	-68.8	0	0	0	0	109.8	F41 H97 L98 R99	F41-T43 WeakPolarHBondContact CE1-OG1 3.46Å; F41-T43 WeakPolarHBondContact CZ-OG1 3.39Å; T43-H97 HydrophobicContact CG2-CB 4.33Å; T43-L98 CarbonylContact C-O 3.53Å; T43-L98 VanDerWaalsContact CA-O 3.3Å; T43-L98 WeakPolarHBondContact CA-O 3.04Å; T43-R99 HydrophobicContact CG2-CG 4.44Å
44	I	97.3	Very high	94.9	Very high	20 Å²	20	68.5 Å²	68.5	10%	0.103	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	114.6	169.8	-52.4	-178.9	0	0	0	107.9	L42 C46 W58 H97 L98 Y111	L42-I44 HydrophobicContact CD1-CD1 4.48Å; L42-I44 HydrophobicContact CD1-CG1 3.85Å; L42-I44 HydrophobicContact CD2-CD1 4.36Å; L42-I44 HydrophobicContact CD2-CG1 4.38Å; L42-I44 HydrophobicContact CG-CG1 4.16Å; I44-C46 PolarHBondContact O-N 3.12Å; I44-W58 HydrophobicContact CB-CH2 4.12Å; I44-W58 HydrophobicContact CG2-CH2 3.77Å; I44-W58 HydrophobicContact CG2-CZ3 4.3Å; I44-H97 WeakPolarHBondContact O-CA 3.46Å; I44-L98 HydrophobicContact CB-CB 4.2Å; I44-L98 HydrophobicContact CD1-CD2 4.31Å; I44-L98 PolarHBondContact N-O 2.85Å; I44-L98 PolarHBondContact O-N 2.64Å; I44-Y111 HydrophobicContact CD1-CD2 3.89Å; I44-Y111 HydrophobicContact CD1-CG 3.86Å
45	H	97.9	Very high	95.1	Very high	67 Å²	67	66.1 Å²	66.1	31%	0.31	38%	0.375	S	S	.	.			trans	-73.3	117	179.6	-66.9	-72.6	0	0	0	110.8	Q29 T30 E31 H97	Q29-H45 VanDerWaalsContact CA-O 3.28Å; Q29-H45 WeakPolarHBondContact CA-O 3.48Å; T30-H45 PolarHBondContact N-O 3.07Å; E31-H45 IonicContact OE1-CD2 3.68Å; H45-H97 AromaticContact ND1-CD2 3.83Å; H45-H97 AromaticContact ND1-CE1 3.7Å; H45-H97 AromaticContact ND1-CG 3.99Å; H45-H97 AromaticContact ND1-ND1 3.95Å; H45-H97 AromaticContact ND1-NE2 3.65Å
46	C	97.8	Very high	95.3	Very high	0 Å²	0	61.7 Å²	61.7	0%	0	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	124.1	163.1	178.9	0	0	0	0	110.9	T28 Q29 I44 W58 S95 F96 H97 C113	T28-C46 WeakPolarHBondContact O-CA 3.3Å; Q29-C46 HydrophobicContact CG-CB 4.47Å; I44-C46 PolarHBondContact O-N 3.12Å; C46-W58 HydrophobicContact CB-CH2 3.94Å; C46-W58 HydrophobicContact CB-CZ2 3.49Å; C46-W58 VanDerWaalsContact CB-CZ2 3.49Å; C46-S95 WeakPolarHBondContact O-CA 3.48Å; C46-F96 PolarHBondContact O-N 2.94Å; C46-H97 PolarHBondContact N-ND1 2.82Å; C46-H97 VanDerWaalsContact N-ND1 3.18Å; C46-H97 PolarHBondContact O-CE1 3.42Å; C46-H97 PolarHBondContact O-ND1 3.05Å; C46-C113 HydrophobicContact CB-CB 3.53Å; C46-C113 WeakPolarHBondContact CB-SG 3.1Å; C46-C113 WeakPolarHBondContact SG-CB 3.38Å; C46-C113 CovalentContact SG-SG 2.02Å; C46-C113 PolarHBondContact SG-SG 3.04Å
47	N	97.5	Very high	95.5	Very high	56 Å²	56	60 Å²	60	30%	0.299	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	152.3	168.2	-63.8	-54.3	0	0	0	109.5	V27 T28 T94 S95 H97	V27-N47 CarbonylContact C-O 3.48Å; V27-N47 VanDerWaalsContact CA-O 3.27Å; V27-N47 WeakPolarHBondContact CA-O 2.98Å; T28-N47 PolarHBondContact N-O 2.89Å; T28-N47 PolarHBondContact O-N 3.02Å; N47-T94 CarbonylContact C-O 3.51Å; N47-T94 WeakPolarHBondContact CA-O 3.36Å; N47-S95 WeakPolarHBondContact OD1-CB 3.27Å; N47-H97 PolarHBondContact OD1-CE1 2.95Å
48	Y	96.3	Very high	95.6	Very high	17 Å²	17	56.1 Å²	56.1	7%	0.067	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	152.2	176.3	73.7	-90	0	0	0	111.5	S26 A50 P54 L56 Y89 T94	S26-Y48 CarbonylContact O-C 3.59Å; S26-Y48 VanDerWaalsContact O-CA 3.27Å; S26-Y48 WeakPolarHBondContact O-CA 3.27Å; Y48-A50 HydrophobicContact CD2-CB 4.07Å; Y48-A50 HydrophobicContact CE2-CB 4.44Å; Y48-P54 HydrophobicContact CD2-CG 3.88Å; Y48-P54 HydrophobicContact CE2-CG 4Å; Y48-L56 HydrophobicContact CD1-CD1 3.53Å; Y48-L56 HydrophobicContact CD1-CD2 4.08Å; Y48-L56 HydrophobicContact CD1-CG 4.44Å; Y48-L56 HydrophobicContact CE1-CD1 3.68Å; Y48-L56 HydrophobicContact CG-CD1 4.32Å; Y48-L56 HydrophobicContact CG-CD2 4.08Å; Y48-Y89 HydrophobicContact CE1-CD2 4.5Å; Y48-Y89 AromaticContact CE1-CE2 3.8Å; Y48-Y89 HydrophobicContact CE1-CE2 3.8Å; Y48-Y89 AromaticContact CZ-CE2 3.85Å; Y48-Y89 WeakPolarHBondContact OH-CE2 3.35Å; Y48-T94 VanDerWaalsContact CD1-C 3.4Å; Y48-T94 VanDerWaalsContact CD1-O 3.29Å; Y48-T94 WeakPolarHBondContact CD1-O 3.46Å; Y48-T94 VanDerWaalsContact CE1-CA 3.44Å; Y48-T94 HydrophobicContact CE2-CG2 4.43Å; Y48-T94 PolarHBondContact N-O 2.98Å; Y48-T94 WeakPolarHBondContact O-CB 3.42Å
49	S	95.7	Very high	95.7	Very high	69 Å²	69	53.6 Å²	53.6	48%	0.483	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	116.8	168.3	168.1	0	0	0	0	106.6	D25 S26	D25-S49 CarbonylContact C-O 3.59Å; D25-S49 WeakPolarHBondContact CA-O 2.95Å; S26-S49 PolarHBondContact N-O 3.01Å; S26-S49 PolarHBondContact O-N 3.01Å
50	A	93.4	Very high	95.7	Very high	27 Å²	27	46 Å²	46	22%	0.223	25%	0.25	C	S	.	.			trans	-146.9	153.3	178.1	0	0	0	0	0	111.5	D25 Y48 G52 P54	D25-A50 HydrophobicContact CB-CB 4.1Å; D25-A50 WeakPolarHBondContact OD1-CA 3.49Å; Y48-A50 HydrophobicContact CD2-CB 4.07Å; Y48-A50 HydrophobicContact CE2-CB 4.44Å; A50-G52 PolarHBondContact O-N 2.79Å; A50-P54 HydrophobicContact CB-CB 4.42Å; A50-P54 HydrophobicContact CB-CG 3.78Å
51	S	87.6	Confident	95.7	Very high	118 Å²	118	45.4 Å²	45.4	83%	0.825	25%	0.246	S	C	*	.	S	Bend	trans	-70.6	-8.9	178	60.1	0	0	0	0	114.6	D25	D25-S51 PolarHBondContact OD1-N 3.25Å
52	G	87.1	Confident	95.8	Very high	39 Å²	39	42 Å²	42	40%	0.402	23%	0.23	S	C	.	.	S	Bend	trans	-147.2	-145.5	-179.9	0	0	0	0	0	113.4	A50 P54	A50-G52 PolarHBondContact O-N 2.79Å; G52-P54 WeakPolarHBondContact O-CD 2.94Å
53	Y	87.5	Confident	95.8	Very high	170 Å²	170	46.5 Å²	46.5	67%	0.667	26%	0.26	S	S	*	.			trans	-108.7	83.8	177.5	-55.7	-55.3	0	0	0	109.4	K91	Y53-K91 HydrophobicContact CD1-CD 3.43Å; Y53-K91 VanDerWaalsContact CD1-CD 3.43Å; Y53-K91 VanDerWaalsContact CD1-CE 3.42Å; Y53-K91 HydrophobicContact CD1-CG 4.22Å; Y53-K91 VanDerWaalsContact CD1-NZ 3.34Å; Y53-K91 HydrophobicContact CE1-CD 3.56Å; Y53-K91 HydrophobicContact CE1-CG 4.46Å; Y53-K91 HydrophobicContact CG-CD 4.15Å
54	P	94.5	Very high	95.8	Very high	12 Å²	12	49.3 Å²	49.3	8%	0.078	30%	0.296	C	S	.	.			trans	-67.5	161.5	-177.3	30.8	-37.6	0	0	0	110.5	Y48 A50 G52 L56 Y89 L115 G116	Y48-P54 HydrophobicContact CD2-CG 3.88Å; Y48-P54 HydrophobicContact CE2-CG 4Å; A50-P54 HydrophobicContact CB-CB 4.42Å; A50-P54 HydrophobicContact CB-CG 3.78Å; G52-P54 WeakPolarHBondContact O-CD 2.94Å; P54-L56 HydrophobicContact CG-CD2 4.17Å; P54-Y89 WeakPolarHBondContact CD-OH 3.44Å; P54-Y89 WeakPolarHBondContact O-CE1 3.18Å; P54-Y89 PolarHBondContact O-OH 2.87Å; P54-L115 HydrophobicContact CB-CB 4.2Å; P54-L115 HydrophobicContact CG-CB 4.47Å; P54-G116 WeakPolarHBondContact CB-O 3.49Å
55	A	96.9	Very high	95.8	Very high	19 Å²	19	52.8 Å²	52.8	16%	0.157	31%	0.312	C	S	.	.			trans	-77.7	137.5	160.9	0	0	0	0	0	108.6	F57 A73 L115 G116	A55-F57 HydrophobicContact CB-CE2 3.55Å; A55-F57 HydrophobicContact CB-CZ 3.69Å; A55-F57 WeakPolarHBondContact O-CD2 3.3Å; A55-F57 VanDerWaalsContact O-CE2 3.31Å; A55-F57 WeakPolarHBondContact O-CE2 3.31Å; A55-A73 WeakPolarHBondContact CA-O 3.29Å; A55-L115 CarbonylContact O-C 3.56Å; A55-L115 WeakPolarHBondContact O-CA 3.15Å; A55-G116 PolarHBondContact N-O 2.88Å; A55-G116 PolarHBondContact O-N 2.75Å
56	L	98.4	Very high	95.8	Very high	0 Å²	0	51.7 Å²	51.7	0%	0	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	140.4	179.5	-61.5	171.5	0	0	0	109.5	Y48 P54 R72 A73 Y89 F96 A114 L115	Y48-L56 HydrophobicContact CD1-CD1 3.53Å; Y48-L56 HydrophobicContact CD1-CD2 4.08Å; Y48-L56 HydrophobicContact CD1-CG 4.44Å; Y48-L56 HydrophobicContact CE1-CD1 3.68Å; Y48-L56 HydrophobicContact CG-CD1 4.32Å; Y48-L56 HydrophobicContact CG-CD2 4.08Å; P54-L56 HydrophobicContact CG-CD2 4.17Å; L56-R72 CarbonylContact O-C 3.47Å; L56-R72 WeakPolarHBondContact O-CA 3.38Å; L56-R72 WeakPolarHBondContact O-CB 3.49Å; L56-A73 PolarHBondContact N-O 2.69Å; L56-A73 PolarHBondContact O-N 2.82Å; L56-Y89 HydrophobicContact CD1-CD1 3.97Å; L56-Y89 HydrophobicContact CD1-CD2 4.03Å; L56-Y89 HydrophobicContact CD1-CE1 3.84Å; L56-Y89 HydrophobicContact CD1-CE2 3.89Å; L56-Y89 HydrophobicContact CD1-CG 4.07Å; L56-Y89 HydrophobicContact CG-CD1 4.38Å; L56-Y89 HydrophobicContact CG-CE1 4.04Å; L56-F96 HydrophobicContact CB-CB 4.24Å; L56-F96 HydrophobicContact CB-CD1 3.45Å; L56-F96 VanDerWaalsContact CB-CD1 3.45Å; L56-F96 HydrophobicContact CB-CE1 3.81Å; L56-F96 HydrophobicContact CB-CG 3.87Å; L56-F96 HydrophobicContact CD1-CB 3.61Å; L56-F96 HydrophobicContact CD1-CD1 4.43Å; L56-F96 HydrophobicContact CD1-CG 4.02Å; L56-F96 HydrophobicContact CG-CB 4.48Å; L56-A114 WeakPolarHBondContact CA-O 3.19Å; L56-L115 HydrophobicContact CD2-CB 3.8Å
57	F	98.6	Very high	95.8	Very high	40 Å²	40	55.6 Å²	55.6	18%	0.175	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	144.7	-170.7	-56.1	-102.5	0	0	0	109.7	A55 Y59 F69 R72 C113 A114	A55-F57 HydrophobicContact CB-CE2 3.55Å; A55-F57 HydrophobicContact CB-CZ 3.69Å; A55-F57 WeakPolarHBondContact O-CD2 3.3Å; A55-F57 VanDerWaalsContact O-CE2 3.31Å; A55-F57 WeakPolarHBondContact O-CE2 3.31Å; F57-Y59 HydrophobicContact CB-CD2 4.19Å; F57-Y59 HydrophobicContact CB-CE2 3.54Å; F57-Y59 HydrophobicContact CG-CE2 4.29Å; F57-F69 AromaticContact CD1-CE2 3.96Å; F57-F69 HydrophobicContact CD1-CE2 3.96Å; F57-R72 HydrophobicContact CD1-CB 3.61Å; F57-R72 HydrophobicContact CE1-CB 3.81Å; F57-R72 HydrophobicContact CE1-CG 4.45Å; F57-R72 HydrophobicContact CG-CB 4.22Å; F57-C113 WeakPolarHBondContact O-CA 3.47Å; F57-A114 HydrophobicContact CB-CB 4.36Å; F57-A114 PolarHBondContact N-O 3.47Å; F57-A114 PolarHBondContact O-N 3.16Å
58	W	98.6	Very high	95.9	Very high	0 Å²	0	56.2 Å²	56.2	0%	0	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	137.9	163.3	-81.6	103.2	0	0	0	110.1	I44 C46 L70 F71 F96 L98 Y112 C113	I44-W58 HydrophobicContact CB-CH2 4.12Å; I44-W58 HydrophobicContact CG2-CH2 3.77Å; I44-W58 HydrophobicContact CG2-CZ3 4.3Å; C46-W58 HydrophobicContact CB-CH2 3.94Å; C46-W58 HydrophobicContact CB-CZ2 3.49Å; C46-W58 VanDerWaalsContact CB-CZ2 3.49Å; W58-L70 HydrophobicContact CB-CB 4.15Å; W58-L70 HydrophobicContact CB-CD1 4.14Å; W58-L70 WeakPolarHBondContact O-CB 3.39Å; W58-L70 PolarHBondContact O-N 3.41Å; W58-F71 HydrophobicContact CB-CE2 4.21Å; W58-F71 HydrophobicContact CB-CZ 4.35Å; W58-F71 AromaticContact CD1-CE2 3.64Å; W58-F71 HydrophobicContact CG-CE2 4.26Å; W58-F71 HydrophobicContact CG-CZ 4.43Å; W58-F71 PolarHBondContact N-O 3.03Å; W58-F96 AromaticContact CD1-CD1 3.45Å; W58-F96 VanDerWaalsContact CD1-CD1 3.45Å; W58-F96 AromaticContact CD1-CE1 3.26Å; W58-F96 HydrophobicContact CG-CE1 4.33Å; W58-F96 VanDerWaalsContact CZ2-O 3.31Å; W58-F96 WeakPolarHBondContact CZ2-O 3.24Å; W58-F96 AromaticContact NE1-CD1 3.32Å; W58-F96 VanDerWaalsContact NE1-CD1 3.32Å; W58-F96 AromaticContact NE1-CE1 3.67Å; W58-F96 AromaticContact NE1-CG 3.97Å; W58-F96 PolarHBondContact NE1-O 2.81Å; W58-L98 HydrophobicContact CB-CD1 4.39Å; W58-L98 HydrophobicContact CD2-CB 3.95Å; W58-L98 HydrophobicContact CD2-CD1 4.05Å; W58-L98 HydrophobicContact CD2-CD2 4.08Å; W58-L98 HydrophobicContact CD2-CG 4.26Å; W58-L98 HydrophobicContact CE3-CB 4.28Å; W58-L98 HydrophobicContact CE3-CD2 3.9Å; W58-L98 HydrophobicContact CG-CD1 3.86Å; W58-L98 HydrophobicContact CH2-CB 3.91Å; W58-L98 HydrophobicContact CZ2-CB 3.56Å; W58-L98 HydrophobicContact CZ3-CB 4.26Å; W58-L98 HydrophobicContact CZ3-CD2 4.21Å; W58-Y112 WeakPolarHBondContact CA-O 3.46Å; W58-Y112 VanDerWaalsContact CE3-C 3.4Å; W58-Y112 VanDerWaalsContact CE3-O 3.24Å; W58-C113 HydrophobicContact CD2-CB 4.37Å; W58-C113 HydrophobicContact CE3-CB 4.22Å; W58-C113 HydrophobicContact CH2-CB 3.69Å; W58-C113 HydrophobicContact CZ2-CB 3.82Å; W58-C113 HydrophobicContact CZ3-CB 3.89Å
59	Y	98.5	Very high	96	Very high	73 Å²	73	60.5 Å²	60.5	29%	0.286	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	154	170.9	-63.8	-98.9	0	0	0	109.3	F57 Q68 F69 Y111 Y112 A114	F57-Y59 HydrophobicContact CB-CD2 4.19Å; F57-Y59 HydrophobicContact CB-CE2 3.54Å; F57-Y59 HydrophobicContact CG-CE2 4.29Å; Y59-Q68 CarbonylContact C-O 3.55Å; Y59-Q68 WeakPolarHBondContact CA-O 3.28Å; Y59-Q68 WeakPolarHBondContact CB-O 3.36Å; Y59-F69 HydrophobicContact CD1-CB 4.22Å; Y59-F69 HydrophobicContact CE1-CB 3.99Å; Y59-F69 HydrophobicContact CE1-CD2 4.08Å; Y59-Y111 WeakPolarHBondContact O-CA 3.31Å; Y59-Y112 PolarHBondContact N-O 3.44Å; Y59-Y112 PolarHBondContact O-N 3.41Å; Y59-A114 HydrophobicContact CE2-CB 4.32Å
60	V	98.3	Very high	96.1	Very high	0 Å²	0	57.7 Å²	57.7	0%	0	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	141.4	171.4	63.7	0	0	0	0	109.4	Y62 Q68 L70 R83 A109 V110 Y111	V60-Y62 HydrophobicContact CG1-CE2 4.23Å; V60-Y62 HydrophobicContact CG2-CE1 4.38Å; V60-Y62 HydrophobicContact CG2-CE2 4.48Å; V60-Q68 HydrophobicContact CG1-CB 4.25Å; V60-Q68 PolarHBondContact N-O 2.64Å; V60-Q68 PolarHBondContact O-N 3.18Å; V60-L70 HydrophobicContact CB-CD1 3.93Å; V60-L70 HydrophobicContact CB-CG 4.17Å; V60-L70 HydrophobicContact CG1-CD1 4.24Å; V60-L70 HydrophobicContact CG1-CD2 4.13Å; V60-L70 HydrophobicContact CG1-CG 3.92Å; V60-R83 VanDerWaalsContact CG1-CZ 3.47Å; V60-A109 HydrophobicContact CG2-CB 3.38Å; V60-V110 CarbonylContact C-O 3.52Å; V60-V110 WeakPolarHBondContact CA-O 3.17Å; V60-Y111 HydrophobicContact CB-CD1 3.95Å; V60-Y111 HydrophobicContact CB-CE1 3.83Å; V60-Y111 HydrophobicContact CG2-CD1 3.91Å; V60-Y111 HydrophobicContact CG2-CE1 3.49Å; V60-Y111 VanDerWaalsContact CG2-CE1 3.49Å; V60-Y111 HydrophobicContact CG2-CE2 4.26Å; V60-Y111 HydrophobicContact CG2-CG 4.47Å
61	Q	98.3	Very high	96.3	Very high	54 Å²	54	56.9 Å²	56.9	25%	0.252	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	110.1	176.3	-175.3	174.1	14.3	0	0	109.3	E65 A109 V110 Y112	Q61-E65 VanDerWaalsContact CG-O 3.29Å; Q61-E65 WeakPolarHBondContact CG-O 3.47Å; Q61-E65 PolarHBondContact NE2-O 3.03Å; Q61-A109 WeakPolarHBondContact O-CB 3.49Å; Q61-V110 PolarHBondContact N-O 3.26Å; Q61-V110 PolarHBondContact O-N 2.9Å; Q61-Y112 HydrophobicContact CB-CD2 4.47Å; Q61-Y112 HydrophobicContact CB-CE2 3.77Å; Q61-Y112 VanDerWaalsContact OE1-CE2 3.31Å; Q61-Y112 PolarHBondContact OE1-OH 2.93Å; Q61-Y112 VanDerWaalsContact OE1-OH 3.09Å
62	Y	97.6	Very high	96.8	Very high	49 Å²	49	58.1 Å²	58.1	19%	0.192	32%	0.322	C	S	.	.			trans	-76.1	157.1	173.3	-64	-71.4	0	0	0	111.2	V60 G64 E65 R83 S106 A109	V60-Y62 HydrophobicContact CG1-CE2 4.23Å; V60-Y62 HydrophobicContact CG2-CE1 4.38Å; V60-Y62 HydrophobicContact CG2-CE2 4.48Å; Y62-G64 PolarHBondContact O-N 3.31Å; Y62-E65 PolarHBondContact O-N 3.41Å; Y62-R83 PolarHBondContact OH-NH1 2.94Å; Y62-S106 WeakPolarHBondContact CE1-O 3.14Å; Y62-A109 HydrophobicContact CD1-CB 3.7Å; Y62-A109 HydrophobicContact CE1-CB 3.93Å; Y62-A109 HydrophobicContact CG-CB 4.44Å
63	P	97.2	Very high	97.4	Very high	111 Å²	111	56.3 Å²	56.3	72%	0.721	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.8	126.1	176.6	-26.9	35.5	0	0	0	112.5	E65	P63-E65 VanDerWaalsContact C-N 3.25Å; P63-E65 PolarHBondContact O-N 2.89Å
64	G	97.8	Very high	97.8	Very high	94 Å²	94	50.4 Å²	50.4	97%	0.969	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	79.4	-0.4	179.5	0	0	0	0	0	115.3	Y62	Y62-G64 PolarHBondContact O-N 3.31Å
65	E	97.4	Very high	98	Very high	94 Å²	94	59 Å²	59	44%	0.439	32%	0.317	S	S	.	.	S	Bend	trans	-108.8	168.4	179.6	-61	-171.8	-149.7	0	0	112.5	Q61 Y62 P63 Q68	Q61-E65 VanDerWaalsContact CG-O 3.29Å; Q61-E65 WeakPolarHBondContact CG-O 3.47Å; Q61-E65 PolarHBondContact NE2-O 3.03Å; Y62-E65 PolarHBondContact O-N 3.41Å; P63-E65 VanDerWaalsContact C-N 3.25Å; P63-E65 PolarHBondContact O-N 2.89Å; E65-Q68 PolarHBondContact OE2-NE2 2.8Å
66	G	97.7	Very high	98	Very high	44 Å²	44	61.4 Å²	61.4	45%	0.454	33%	0.327	S	S	.	.			trans	-84.7	166.9	169.7	0	0	0	0	0	112.5	Q68	G66-Q68 PolarHBondContact O-N 2.76Å
67	P	98.1	Very high	98	Very high	82 Å²	82	66.8 Å²	66.8	53%	0.532	35%	0.35	S	S	.	.			trans	-59.4	125.3	174.2	-23.4	34	0	0	0	112
68	Q	98.4	Very high	98	Very high	68 Å²	68	68 Å²	68	32%	0.318	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	138.2	175.9	-57.4	-176.7	3.5	0	0	110.5	Y59 V60 E65 G66	Y59-Q68 CarbonylContact C-O 3.55Å; Y59-Q68 WeakPolarHBondContact CA-O 3.28Å; Y59-Q68 WeakPolarHBondContact CB-O 3.36Å; V60-Q68 HydrophobicContact CG1-CB 4.25Å; V60-Q68 PolarHBondContact N-O 2.64Å; V60-Q68 PolarHBondContact O-N 3.18Å; E65-Q68 PolarHBondContact OE2-NE2 2.8Å; G66-Q68 PolarHBondContact O-N 2.76Å
69	F	98.2	Very high	97.9	Very high	108 Å²	108	73.6 Å²	73.6	47%	0.474	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.5	132.9	175.5	177.3	-112.3	0	0	0	111.5	F57 Y59 F71 R72	F57-F69 AromaticContact CD1-CE2 3.96Å; F57-F69 HydrophobicContact CD1-CE2 3.96Å; Y59-F69 HydrophobicContact CD1-CB 4.22Å; Y59-F69 HydrophobicContact CE1-CB 3.99Å; Y59-F69 HydrophobicContact CE1-CD2 4.08Å; F69-F71 WeakPolarHBondContact CE2-O 3.4Å; F69-R72 HydrophobicContact CE2-CB 4.1Å; F69-R72 HydrophobicContact CZ-CB 4.09Å; F69-R72 HydrophobicContact CZ-CG 4.41Å
70	L	98.1	Very high	97.9	Very high	9 Å²	9	70.3 Å²	70.3	5%	0.047	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	-64.2	170	-81.5	167.4	0	0	0	111	W58 V60 S82 Y111	W58-L70 HydrophobicContact CB-CB 4.15Å; W58-L70 HydrophobicContact CB-CD1 4.14Å; W58-L70 WeakPolarHBondContact O-CB 3.39Å; W58-L70 PolarHBondContact O-N 3.41Å; V60-L70 HydrophobicContact CB-CD1 3.93Å; V60-L70 HydrophobicContact CB-CG 4.17Å; V60-L70 HydrophobicContact CG1-CD1 4.24Å; V60-L70 HydrophobicContact CG1-CD2 4.13Å; V60-L70 HydrophobicContact CG1-CG 3.92Å; L70-S82 VanDerWaalsContact O-CB 3.29Å; L70-S82 WeakPolarHBondContact O-CB 3.45Å; L70-Y111 HydrophobicContact CD1-CD1 3.94Å; L70-Y111 HydrophobicContact CD1-CE1 4.05Å
71	F	98.6	Very high	97.9	Very high	11 Å²	11	73.9 Å²	73.9	5%	0.048	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-168.9	170.9	-179.3	51.4	-102.3	0	0	0	110.3	W58 F69 G80 F85 A87 F96 L98	W58-F71 HydrophobicContact CB-CE2 4.21Å; W58-F71 HydrophobicContact CB-CZ 4.35Å; W58-F71 AromaticContact CD1-CE2 3.64Å; W58-F71 HydrophobicContact CG-CE2 4.26Å; W58-F71 HydrophobicContact CG-CZ 4.43Å; W58-F71 PolarHBondContact N-O 3.03Å; F69-F71 WeakPolarHBondContact CE2-O 3.4Å; F71-G80 VanDerWaalsContact CD2-CA 3.47Å; F71-F85 HydrophobicContact CE1-CB 4.13Å; F71-A87 HydrophobicContact CE2-CB 3.75Å; F71-A87 HydrophobicContact CZ-CB 4.01Å; F71-F96 HydrophobicContact CD2-CZ 4.05Å; F71-F96 HydrophobicContact CE2-CE1 4.23Å; F71-F96 AromaticContact CE2-CZ 3.82Å; F71-F96 HydrophobicContact CE2-CZ 3.82Å; F71-L98 HydrophobicContact CE1-CD1 4Å; F71-L98 HydrophobicContact CE2-CD1 4.36Å; F71-L98 HydrophobicContact CZ-CD1 3.41Å; F71-L98 VanDerWaalsContact CZ-CD1 3.41Å
72	R	98.1	Very high	97.9	Very high	144 Å²	144	73.2 Å²	73.2	54%	0.543	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	163.9	173.9	78	175.2	-168.6	-126.1	-1.5	111.4	L56 F57 F69	L56-R72 CarbonylContact O-C 3.47Å; L56-R72 WeakPolarHBondContact O-CA 3.38Å; L56-R72 WeakPolarHBondContact O-CB 3.49Å; F57-R72 HydrophobicContact CD1-CB 3.61Å; F57-R72 HydrophobicContact CE1-CB 3.81Å; F57-R72 HydrophobicContact CE1-CG 4.45Å; F57-R72 HydrophobicContact CG-CB 4.22Å; F69-R72 HydrophobicContact CE2-CB 4.1Å; F69-R72 HydrophobicContact CZ-CB 4.09Å; F69-R72 HydrophobicContact CZ-CG 4.41Å
73	A	98.4	Very high	97.9	Very high	0 Å²	0	75.2 Å²	75.2	0%	0	40%	0.403	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	143	164.6	0	0	0	0	0	109.3	A55 L56 E78 Y89 F96	A55-A73 WeakPolarHBondContact CA-O 3.29Å; L56-A73 PolarHBondContact N-O 2.69Å; L56-A73 PolarHBondContact O-N 2.82Å; A73-E78 HydrophobicContact CB-CB 4.04Å; A73-E78 HydrophobicContact CB-CG 4Å; A73-Y89 HydrophobicContact CB-CD1 3.96Å; A73-Y89 HydrophobicContact CB-CG 4.44Å; A73-F96 HydrophobicContact CB-CE2 3.56Å; A73-F96 HydrophobicContact CB-CZ 3.63Å
74	S	97	Very high	97.9	Very high	46 Å²	46	72.4 Å²	72.4	32%	0.322	39%	0.394	S	S	.	.			trans	-128.4	-5.4	-177.2	-53.5	0	0	0	0	113.1	E78	S74-E78 PolarHBondContact N-OE2 2.94Å
75	R	97	Very high	97.9	Very high	194 Å²	194	67.9 Å²	67.9	73%	0.732	35%	0.348	S	S	*	.	S	Bend	trans	-126.8	155.9	-179.9	-59.4	179.3	-177.1	177.8	1.5	111.2	K77 E78 Y89	R75-K77 PolarHBondContact O-N 2.99Å; R75-E78 HydrophobicContact CB-CB 4.22Å; R75-E78 PolarHBondContact N-OE2 2.92Å; R75-E78 WeakPolarHBondContact O-CB 3.27Å; R75-E78 PolarHBondContact O-N 3.1Å; R75-E78 VanDerWaalsContact O-N 3.16Å; R75-Y89 WeakPolarHBondContact O-CB 3.37Å; R75-Y89 WeakPolarHBondContact O-CD1 3.35Å
76	D	97.5	Very high	98	Very high	68 Å²	68	66.6 Å²	66.6	36%	0.364	34%	0.342	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.6	139.5	174.1	-166.1	31.9	0	0	0	110.2	E78 K91	D76-E78 PolarHBondContact O-N 2.89Å; D76-K91 HydrophobicContact CB-CB 4.33Å; D76-K91 HydrophobicContact CB-CD 3.61Å; D76-K91 HydrophobicContact CB-CG 3.77Å; D76-K91 WeakPolarHBondContact OD1-CB 2.96Å; D76-K91 WeakPolarHBondContact OD1-CG 3.04Å; D76-K91 PolarHBondContact OD1-N 2.79Å
77	K	97.9	Very high	98	Very high	113 Å²	113	64.6 Å²	64.6	49%	0.491	32%	0.321	S	S	.	.	T	Hydrogen-bonded Turn	trans	60.5	7.3	-178.1	-46.2	-52.4	178.6	-171.1	0	114.7	R75 K79 Y89 D90	R75-K77 PolarHBondContact O-N 2.99Å; K77-K79 PolarHBondContact O-N 3.01Å; K77-Y89 WeakPolarHBondContact CA-O 3.42Å; K77-Y89 PolarHBondContact N-O 2.93Å; K77-D90 IonicContact NZ-OD1 2.91Å; K77-D90 PolarHBondContact NZ-OD1 2.91Å; K77-D90 IonicContact NZ-OD2 2.83Å; K77-D90 PolarHBondContact NZ-OD2 3.29Å
78	E	98.5	Very high	98	Very high	67 Å²	67	63.4 Å²	63.4	31%	0.313	31%	0.313	S	S	.	.	P	Polyproline II helix	trans	-65.2	131.6	169.8	-175.2	175	-179.4	0	0	109.2	A73 S74 R75 D76 Y89	A73-E78 HydrophobicContact CB-CB 4.04Å; A73-E78 HydrophobicContact CB-CG 4Å; S74-E78 PolarHBondContact N-OE2 2.94Å; R75-E78 HydrophobicContact CB-CB 4.22Å; R75-E78 PolarHBondContact N-OE2 2.92Å; R75-E78 WeakPolarHBondContact O-CB 3.27Å; R75-E78 PolarHBondContact O-N 3.1Å; R75-E78 VanDerWaalsContact O-N 3.16Å; D76-E78 PolarHBondContact O-N 2.89Å; E78-Y89 PolarHBondContact O-N 2.84Å
79	K	98.3	Very high	98	Very high	116 Å²	116	60.2 Å²	60.2	50%	0.504	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	122.6	179.2	-172.5	175.7	-179.2	176	0	109.1	K77 E86 A87	K77-K79 PolarHBondContact O-N 3.01Å; K79-E86 WeakPolarHBondContact CE-OE2 3.42Å; K79-E86 IonicContact NZ-OE1 3.69Å; K79-E86 IonicContact NZ-OE2 2.64Å; K79-E86 PolarHBondContact NZ-OE2 2.76Å; K79-A87 WeakPolarHBondContact CA-O 3.31Å
80	G	98	Very high	98	Very high	5 Å²	5	57 Å²	57	5%	0.052	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	142.4	165.7	0	0	0	0	0	110.1	F71 E86 A87	F71-G80 VanDerWaalsContact CD2-CA 3.47Å; G80-E86 CarbonylContact O-C 3.58Å; G80-E86 VanDerWaalsContact O-CA 3.25Å; G80-E86 WeakPolarHBondContact O-CA 3.34Å; G80-A87 PolarHBondContact N-O 3.02Å; G80-A87 PolarHBondContact O-N 3.46Å
81	S	98.2	Very high	97.9	Very high	75 Å²	75	59.3 Å²	59.3	52%	0.524	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.6	140.6	172.8	-175.2	0	0	0	0	111.8	F85	S81-F85 CarbonylContact C-O 3.51Å; S81-F85 WeakPolarHBondContact CA-O 3.47Å; S81-F85 WeakPolarHBondContact CB-O 3.36Å; S81-F85 PolarHBondContact OG-O 2.95Å
82	S	98.3	Very high	97.8	Very high	39 Å²	39	62.2 Å²	62.2	27%	0.273	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-163.1	141.4	175.1	-175.8	0	0	0	0	109	L70 G84 F85	L70-S82 VanDerWaalsContact O-CB 3.29Å; L70-S82 WeakPolarHBondContact O-CB 3.45Å; S82-G84 PolarHBondContact O-N 2.89Å; S82-G84 VanDerWaalsContact O-N 3.15Å; S82-F85 PolarHBondContact N-O 3.13Å; S82-F85 WeakPolarHBondContact O-CB 3.38Å; S82-F85 PolarHBondContact O-N 2.91Å
83	R	96.5	Very high	97.7	Very high	91 Å²	91	59.2 Å²	59.2	34%	0.343	33%	0.326	S	S	.	.	T	Hydrogen-bonded Turn	trans	53.5	33.7	176.8	-63.6	-176.2	-81.6	-156.5	-20	115	V60 Y62 F85 K100	V60-R83 VanDerWaalsContact CG1-CZ 3.47Å; Y62-R83 PolarHBondContact OH-NH1 2.94Å; R83-F85 HydrophobicContact CB-CD2 4.25Å; R83-F85 WeakPolarHBondContact O-CD2 3.3Å; R83-F85 PolarHBondContact O-N 3.24Å; R83-K100 PolarHBondContact O-NZ 2.83Å; R83-K100 VanDerWaalsContact O-NZ 3.13Å
84	G	97.5	Very high	97.6	Very high	52 Å²	52	62.3 Å²	62.3	54%	0.536	35%	0.345	S	S	.	.	T	Hydrogen-bonded Turn	trans	75.4	-2.2	-176.8	0	0	0	0	0	114.7	S82	S82-G84 PolarHBondContact O-N 2.89Å; S82-G84 VanDerWaalsContact O-N 3.15Å
85	F	98.5	Very high	97.7	Very high	0 Å²	0	60.4 Å²	60.4	0%	0	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	149.4	167.9	-67	-87.5	0	0	0	110.5	L42 F71 S81 S82 R83 L98 R99 K100 D107 Y111	L42-F85 HydrophobicContact CD2-CE1 3.94Å; F71-F85 HydrophobicContact CE1-CB 4.13Å; S81-F85 CarbonylContact C-O 3.51Å; S81-F85 WeakPolarHBondContact CA-O 3.47Å; S81-F85 WeakPolarHBondContact CB-O 3.36Å; S81-F85 PolarHBondContact OG-O 2.95Å; S82-F85 PolarHBondContact N-O 3.13Å; S82-F85 WeakPolarHBondContact O-CB 3.38Å; S82-F85 PolarHBondContact O-N 2.91Å; R83-F85 HydrophobicContact CB-CD2 4.25Å; R83-F85 WeakPolarHBondContact O-CD2 3.3Å; R83-F85 PolarHBondContact O-N 3.24Å; F85-L98 HydrophobicContact CB-CD1 3.85Å; F85-L98 HydrophobicContact CB-CG 4.36Å; F85-L98 HydrophobicContact CD1-CD1 4.24Å; F85-L98 HydrophobicContact CD1-CD2 3.75Å; F85-L98 HydrophobicContact CD1-CG 3.82Å; F85-L98 HydrophobicContact CE1-CD2 4.25Å; F85-L98 HydrophobicContact CG-CD1 4.43Å; F85-L98 HydrophobicContact CG-CD2 4.42Å; F85-L98 HydrophobicContact CG-CG 4.47Å; F85-R99 CarbonylContact C-O 3.55Å; F85-R99 VanDerWaalsContact CA-O 3.3Å; F85-R99 WeakPolarHBondContact CA-O 3.37Å; F85-K100 HydrophobicContact CD1-CB 3.77Å; F85-K100 HydrophobicContact CD1-CD 4.07Å; F85-K100 HydrophobicContact CD1-CG 4.49Å; F85-K100 HydrophobicContact CD2-CD 4.12Å; F85-K100 HydrophobicContact CE1-CB 3.76Å; F85-K100 HydrophobicContact CE1-CD 3.67Å; F85-K100 HydrophobicContact CE1-CG 4.35Å; F85-K100 HydrophobicContact CE2-CD 3.7Å; F85-K100 HydrophobicContact CG-CB 4.47Å; F85-K100 HydrophobicContact CG-CD 4.27Å; F85-K100 HydrophobicContact CZ-CB 4.42Å; F85-K100 HydrophobicContact CZ-CD 3.43Å; F85-K100 VanDerWaalsContact CZ-CD 3.43Å; F85-D107 VanDerWaalsContact CE2-OD1 3.31Å; F85-D107 WeakPolarHBondContact CE2-OD1 3.45Å; F85-D107 HydrophobicContact CZ-CB 4.06Å; F85-D107 WeakPolarHBondContact CZ-OD1 3.35Å; F85-Y111 HydrophobicContact CD1-CE1 4.28Å; F85-Y111 HydrophobicContact CD2-CE1 4.42Å; F85-Y111 AromaticContact CE1-CE1 3.77Å; F85-Y111 HydrophobicContact CE1-CE1 3.77Å; F85-Y111 AromaticContact CE1-CZ 3.84Å; F85-Y111 AromaticContact CE2-CE1 3.96Å; F85-Y111 HydrophobicContact CE2-CE1 3.96Å; F85-Y111 WeakPolarHBondContact CE2-OH 3.14Å; F85-Y111 AromaticContact CZ-CE1 3.63Å; F85-Y111 HydrophobicContact CZ-CE1 3.63Å; F85-Y111 HydrophobicContact CZ-CE2 4.45Å; F85-Y111 AromaticContact CZ-CZ 3.44Å; F85-Y111 VanDerWaalsContact CZ-CZ 3.44Å; F85-Y111 WeakPolarHBondContact CZ-OH 3.31Å
86	E	98.6	Very high	97.7	Very high	67 Å²	67	51.1 Å²	51.1	31%	0.313	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.1	151.5	174.9	59.6	177.5	-138.2	0	0	111.9	K79 G80 L98 R99	K79-E86 WeakPolarHBondContact CE-OE2 3.42Å; K79-E86 IonicContact NZ-OE1 3.69Å; K79-E86 IonicContact NZ-OE2 2.64Å; K79-E86 PolarHBondContact NZ-OE2 2.76Å; G80-E86 CarbonylContact O-C 3.58Å; G80-E86 VanDerWaalsContact O-CA 3.25Å; G80-E86 WeakPolarHBondContact O-CA 3.34Å; E86-L98 CarbonylContact O-C 3.46Å; E86-R99 HydrophobicContact CG-CB 4.09Å; E86-R99 PolarHBondContact N-O 2.97Å; E86-R99 PolarHBondContact O-N 2.9Å
87	A	98.6	Very high	97.8	Very high	2 Å²	2	49.6 Å²	49.6	2%	0.017	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	147.6	166.4	0	0	0	0	0	109.7	F71 K79 G80 F96 H97	F71-A87 HydrophobicContact CE2-CB 3.75Å; F71-A87 HydrophobicContact CZ-CB 4.01Å; K79-A87 WeakPolarHBondContact CA-O 3.31Å; G80-A87 PolarHBondContact N-O 3.02Å; G80-A87 PolarHBondContact O-N 3.46Å; A87-F96 HydrophobicContact CB-CD1 4.42Å; A87-F96 HydrophobicContact CB-CD2 3.69Å; A87-F96 HydrophobicContact CB-CE1 4.29Å; A87-F96 HydrophobicContact CB-CE2 3.51Å; A87-F96 HydrophobicContact CB-CG 4.15Å; A87-F96 HydrophobicContact CB-CZ 3.85Å; A87-H97 WeakPolarHBondContact CA-O 3.34Å; A87-H97 WeakPolarHBondContact CB-O 3.19Å
88	T	98.6	Very high	97.8	Very high	57 Å²	57	44.3 Å²	44.3	35%	0.35	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	127.6	173.5	-60.4	0	0	0	0	108.5	D90	T88-D90 PolarHBondContact O-N 2.88Å
89	Y	98.5	Very high	97.8	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	27%	0.269	C	S	.	.			trans	-69.9	112	172.2	-170.3	150	0	0	0	108.1	Y48 P54 L56 A73 R75 K77 E78 K91	Y48-Y89 HydrophobicContact CE1-CD2 4.5Å; Y48-Y89 AromaticContact CE1-CE2 3.8Å; Y48-Y89 HydrophobicContact CE1-CE2 3.8Å; Y48-Y89 AromaticContact CZ-CE2 3.85Å; Y48-Y89 WeakPolarHBondContact OH-CE2 3.35Å; P54-Y89 WeakPolarHBondContact CD-OH 3.44Å; P54-Y89 WeakPolarHBondContact O-CE1 3.18Å; P54-Y89 PolarHBondContact O-OH 2.87Å; L56-Y89 HydrophobicContact CD1-CD1 3.97Å; L56-Y89 HydrophobicContact CD1-CD2 4.03Å; L56-Y89 HydrophobicContact CD1-CE1 3.84Å; L56-Y89 HydrophobicContact CD1-CE2 3.89Å; L56-Y89 HydrophobicContact CD1-CG 4.07Å; L56-Y89 HydrophobicContact CG-CD1 4.38Å; L56-Y89 HydrophobicContact CG-CE1 4.04Å; A73-Y89 HydrophobicContact CB-CD1 3.96Å; A73-Y89 HydrophobicContact CB-CG 4.44Å; R75-Y89 WeakPolarHBondContact O-CB 3.37Å; R75-Y89 WeakPolarHBondContact O-CD1 3.35Å; K77-Y89 WeakPolarHBondContact CA-O 3.42Å; K77-Y89 PolarHBondContact N-O 2.93Å; E78-Y89 PolarHBondContact O-N 2.84Å; Y89-K91 HydrophobicContact CD2-CG 3.92Å; Y89-K91 HydrophobicContact CE2-CG 3.46Å; Y89-K91 VanDerWaalsContact CE2-CG 3.46Å
90	D	97.8	Very high	97.7	Very high	40 Å²	40	41.7 Å²	41.7	21%	0.214	25%	0.249	C	C	.	.	B	Isolated β-bridge	trans	-109.1	105.2	172.9	-159.2	-34.1	0	0	0	111.3	K77 T88 G92 T93 T94 S95	K77-D90 IonicContact NZ-OD1 2.91Å; K77-D90 PolarHBondContact NZ-OD1 2.91Å; K77-D90 IonicContact NZ-OD2 2.83Å; K77-D90 PolarHBondContact NZ-OD2 3.29Å; T88-D90 PolarHBondContact O-N 2.88Å; D90-G92 VanDerWaalsContact C-N 3.3Å; D90-G92 WeakPolarHBondContact OD1-CA 3.29Å; D90-G92 PolarHBondContact OD1-N 3.01Å; D90-T93 VanDerWaalsContact CB-OG1 3.31Å; D90-T93 WeakPolarHBondContact CB-OG1 3.46Å; D90-T93 VanDerWaalsContact CG-OG1 3.25Å; D90-T93 PolarHBondContact OD1-N 2.88Å; D90-T94 WeakPolarHBondContact O-CA 3.39Å; D90-T94 PolarHBondContact O-N 3.35Å; D90-S95 PolarHBondContact N-O 2.86Å; D90-S95 PolarHBondContact O-N 2.91Å
91	K	96.1	Very high	97.7	Very high	58 Å²	58	45.4 Å²	45.4	25%	0.252	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.3	-28.8	175.2	-70	-170.2	-177.1	-175.4	0	113.1	Y53 D76 Y89	Y53-K91 HydrophobicContact CD1-CD 3.43Å; Y53-K91 VanDerWaalsContact CD1-CD 3.43Å; Y53-K91 VanDerWaalsContact CD1-CE 3.42Å; Y53-K91 HydrophobicContact CD1-CG 4.22Å; Y53-K91 VanDerWaalsContact CD1-NZ 3.34Å; Y53-K91 HydrophobicContact CE1-CD 3.56Å; Y53-K91 HydrophobicContact CE1-CG 4.46Å; Y53-K91 HydrophobicContact CG-CD 4.15Å; D76-K91 HydrophobicContact CB-CB 4.33Å; D76-K91 HydrophobicContact CB-CD 3.61Å; D76-K91 HydrophobicContact CB-CG 3.77Å; D76-K91 WeakPolarHBondContact OD1-CB 2.96Å; D76-K91 WeakPolarHBondContact OD1-CG 3.04Å; D76-K91 PolarHBondContact OD1-N 2.79Å; Y89-K91 HydrophobicContact CD2-CG 3.92Å; Y89-K91 HydrophobicContact CE2-CG 3.46Å; Y89-K91 VanDerWaalsContact CE2-CG 3.46Å
92	G	95.8	Very high	97.7	Very high	72 Å²	72	44.2 Å²	44.2	74%	0.742	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.1	-38	-177.4	0	0	0	0	0	111.9	D90	D90-G92 VanDerWaalsContact C-N 3.3Å; D90-G92 WeakPolarHBondContact OD1-CA 3.29Å; D90-G92 PolarHBondContact OD1-N 3.01Å
93	T	96.7	Very high	97.7	Very high	81 Å²	81	42.9 Å²	42.9	50%	0.497	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.9	4.3	177.3	55	0	0	0	0	113.5	D90 S95	D90-T93 VanDerWaalsContact CB-OG1 3.31Å; D90-T93 WeakPolarHBondContact CB-OG1 3.46Å; D90-T93 VanDerWaalsContact CG-OG1 3.25Å; D90-T93 PolarHBondContact OD1-N 2.88Å; T93-S95 VanDerWaalsContact C-N 3.31Å; T93-S95 PolarHBondContact O-N 3.02Å; T93-S95 PolarHBondContact OG1-OG 2.02Å
94	T	96.7	Very high	97.8	Very high	65 Å²	65	43.7 Å²	43.7	40%	0.399	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.9	48	-177.2	54.9	0	0	0	0	112.8	N47 Y48 D90	N47-T94 CarbonylContact C-O 3.51Å; N47-T94 WeakPolarHBondContact CA-O 3.36Å; Y48-T94 VanDerWaalsContact CD1-C 3.4Å; Y48-T94 VanDerWaalsContact CD1-O 3.29Å; Y48-T94 WeakPolarHBondContact CD1-O 3.46Å; Y48-T94 VanDerWaalsContact CE1-CA 3.44Å; Y48-T94 HydrophobicContact CE2-CG2 4.43Å; Y48-T94 PolarHBondContact N-O 2.98Å; Y48-T94 WeakPolarHBondContact O-CB 3.42Å; D90-T94 WeakPolarHBondContact O-CA 3.39Å; D90-T94 PolarHBondContact O-N 3.35Å
95	S	97.7	Very high	97.7	Very high	6 Å²	6	48.7 Å²	48.7	4%	0.042	28%	0.278	C	S	.	.	B	Isolated β-bridge	trans	-137.6	156.9	-170.5	71.5	0	0	0	0	114.8	C46 N47 D90 T93 H97	C46-S95 WeakPolarHBondContact O-CA 3.48Å; N47-S95 WeakPolarHBondContact OD1-CB 3.27Å; D90-S95 PolarHBondContact N-O 2.86Å; D90-S95 PolarHBondContact O-N 2.91Å; T93-S95 VanDerWaalsContact C-N 3.31Å; T93-S95 PolarHBondContact O-N 3.02Å; T93-S95 PolarHBondContact OG1-OG 2.02Å; S95-H97 WeakPolarHBondContact CB-CE1 3.19Å
96	F	97.9	Very high	97.6	Very high	0 Å²	0	52.3 Å²	52.3	0%	0	30%	0.303	C	S	.	.			trans	-148.2	59.4	177.6	-168.2	-132.3	0	0	0	110.7	C46 L56 W58 F71 A73 A87 L98	C46-F96 PolarHBondContact O-N 2.94Å; L56-F96 HydrophobicContact CB-CB 4.24Å; L56-F96 HydrophobicContact CB-CD1 3.45Å; L56-F96 VanDerWaalsContact CB-CD1 3.45Å; L56-F96 HydrophobicContact CB-CE1 3.81Å; L56-F96 HydrophobicContact CB-CG 3.87Å; L56-F96 HydrophobicContact CD1-CB 3.61Å; L56-F96 HydrophobicContact CD1-CD1 4.43Å; L56-F96 HydrophobicContact CD1-CG 4.02Å; L56-F96 HydrophobicContact CG-CB 4.48Å; W58-F96 AromaticContact CD1-CD1 3.45Å; W58-F96 VanDerWaalsContact CD1-CD1 3.45Å; W58-F96 AromaticContact CD1-CE1 3.26Å; W58-F96 HydrophobicContact CG-CE1 4.33Å; W58-F96 VanDerWaalsContact CZ2-O 3.31Å; W58-F96 WeakPolarHBondContact CZ2-O 3.24Å; W58-F96 AromaticContact NE1-CD1 3.32Å; W58-F96 VanDerWaalsContact NE1-CD1 3.32Å; W58-F96 AromaticContact NE1-CE1 3.67Å; W58-F96 AromaticContact NE1-CG 3.97Å; W58-F96 PolarHBondContact NE1-O 2.81Å; F71-F96 HydrophobicContact CD2-CZ 4.05Å; F71-F96 HydrophobicContact CE2-CE1 4.23Å; F71-F96 AromaticContact CE2-CZ 3.82Å; F71-F96 HydrophobicContact CE2-CZ 3.82Å; A73-F96 HydrophobicContact CB-CE2 3.56Å; A73-F96 HydrophobicContact CB-CZ 3.63Å; A87-F96 HydrophobicContact CB-CD1 4.42Å; A87-F96 HydrophobicContact CB-CD2 3.69Å; A87-F96 HydrophobicContact CB-CE1 4.29Å; A87-F96 HydrophobicContact CB-CE2 3.51Å; A87-F96 HydrophobicContact CB-CG 4.15Å; A87-F96 HydrophobicContact CB-CZ 3.85Å; F96-L98 PolarHBondContact O-N 3.15Å
97	H	98.3	Very high	97.6	Very high	36 Å²	36	49.8 Å²	49.8	17%	0.167	29%	0.292	C	S	.	.			trans	-67.5	129.3	-174.2	-53.8	-29.7	0	0	0	112	T43 I44 H45 C46 N47 A87 S95	T43-H97 HydrophobicContact CG2-CB 4.33Å; I44-H97 WeakPolarHBondContact O-CA 3.46Å; H45-H97 AromaticContact ND1-CD2 3.83Å; H45-H97 AromaticContact ND1-CE1 3.7Å; H45-H97 AromaticContact ND1-CG 3.99Å; H45-H97 AromaticContact ND1-ND1 3.95Å; H45-H97 AromaticContact ND1-NE2 3.65Å; C46-H97 PolarHBondContact N-ND1 2.82Å; C46-H97 VanDerWaalsContact N-ND1 3.18Å; C46-H97 PolarHBondContact O-CE1 3.42Å; C46-H97 PolarHBondContact O-ND1 3.05Å; N47-H97 PolarHBondContact OD1-CE1 2.95Å; A87-H97 WeakPolarHBondContact CA-O 3.34Å; A87-H97 WeakPolarHBondContact CB-O 3.19Å; S95-H97 WeakPolarHBondContact CB-CE1 3.19Å
98	L	98.3	Very high	97.5	Very high	1 Å²	1	53.6 Å²	53.6	1%	0.005	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	134.7	173.7	-165.7	64.1	0	0	0	109.4	T43 I44 W58 F71 F85 E86 F96 Y111	T43-L98 CarbonylContact C-O 3.53Å; T43-L98 VanDerWaalsContact CA-O 3.3Å; T43-L98 WeakPolarHBondContact CA-O 3.04Å; I44-L98 HydrophobicContact CB-CB 4.2Å; I44-L98 HydrophobicContact CD1-CD2 4.31Å; I44-L98 PolarHBondContact N-O 2.85Å; I44-L98 PolarHBondContact O-N 2.64Å; W58-L98 HydrophobicContact CB-CD1 4.39Å; W58-L98 HydrophobicContact CD2-CB 3.95Å; W58-L98 HydrophobicContact CD2-CD1 4.05Å; W58-L98 HydrophobicContact CD2-CD2 4.08Å; W58-L98 HydrophobicContact CD2-CG 4.26Å; W58-L98 HydrophobicContact CE3-CB 4.28Å; W58-L98 HydrophobicContact CE3-CD2 3.9Å; W58-L98 HydrophobicContact CG-CD1 3.86Å; W58-L98 HydrophobicContact CH2-CB 3.91Å; W58-L98 HydrophobicContact CZ2-CB 3.56Å; W58-L98 HydrophobicContact CZ3-CB 4.26Å; W58-L98 HydrophobicContact CZ3-CD2 4.21Å; F71-L98 HydrophobicContact CE1-CD1 4Å; F71-L98 HydrophobicContact CE2-CD1 4.36Å; F71-L98 HydrophobicContact CZ-CD1 3.41Å; F71-L98 VanDerWaalsContact CZ-CD1 3.41Å; F85-L98 HydrophobicContact CB-CD1 3.85Å; F85-L98 HydrophobicContact CB-CG 4.36Å; F85-L98 HydrophobicContact CD1-CD1 4.24Å; F85-L98 HydrophobicContact CD1-CD2 3.75Å; F85-L98 HydrophobicContact CD1-CG 3.82Å; F85-L98 HydrophobicContact CE1-CD2 4.25Å; F85-L98 HydrophobicContact CG-CD1 4.43Å; F85-L98 HydrophobicContact CG-CD2 4.42Å; F85-L98 HydrophobicContact CG-CG 4.47Å; E86-L98 CarbonylContact O-C 3.46Å; F96-L98 PolarHBondContact O-N 3.15Å; L98-Y111 HydrophobicContact CD2-CD1 3.44Å; L98-Y111 VanDerWaalsContact CD2-CD1 3.44Å; L98-Y111 HydrophobicContact CD2-CE1 4.07Å; L98-Y111 HydrophobicContact CD2-CG 3.99Å
99	R	98.2	Very high	97.4	Very high	112 Å²	112	52.3 Å²	52.3	42%	0.423	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	148.9	179.1	-61.9	177.2	175.4	170.9	0.5	110.8	F41 L42 T43 F85 E86	F41-R99 HydrophobicContact CE2-CB 4.43Å; F41-R99 HydrophobicContact CZ-CB 4.26Å; F41-R99 HydrophobicContact CZ-CG 4.22Å; L42-R99 VanDerWaalsContact O-CA 3.27Å; L42-R99 WeakPolarHBondContact O-CA 3.28Å; T43-R99 HydrophobicContact CG2-CG 4.44Å; F85-R99 CarbonylContact C-O 3.55Å; F85-R99 VanDerWaalsContact CA-O 3.3Å; F85-R99 WeakPolarHBondContact CA-O 3.37Å; E86-R99 HydrophobicContact CG-CB 4.09Å; E86-R99 PolarHBondContact N-O 2.97Å; E86-R99 PolarHBondContact O-N 2.9Å
100	K	98	Very high	97.4	Very high	17 Å²	17	55.9 Å²	55.9	7%	0.074	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	130.5	167.5	-178	158	-176.7	158.8	0	109.4	F41 L42 R83 F85 S102 V103 D107	F41-K100 VanDerWaalsContact CD2-O 3.3Å; F41-K100 WeakPolarHBondContact CD2-O 3.25Å; L42-K100 HydrophobicContact CB-CB 4.37Å; L42-K100 PolarHBondContact N-O 3.03Å; L42-K100 PolarHBondContact O-N 3.31Å; R83-K100 PolarHBondContact O-NZ 2.83Å; R83-K100 VanDerWaalsContact O-NZ 3.13Å; F85-K100 HydrophobicContact CD1-CB 3.77Å; F85-K100 HydrophobicContact CD1-CD 4.07Å; F85-K100 HydrophobicContact CD1-CG 4.49Å; F85-K100 HydrophobicContact CD2-CD 4.12Å; F85-K100 HydrophobicContact CE1-CB 3.76Å; F85-K100 HydrophobicContact CE1-CD 3.67Å; F85-K100 HydrophobicContact CE1-CG 4.35Å; F85-K100 HydrophobicContact CE2-CD 3.7Å; F85-K100 HydrophobicContact CG-CB 4.47Å; F85-K100 HydrophobicContact CG-CD 4.27Å; F85-K100 HydrophobicContact CZ-CB 4.42Å; F85-K100 HydrophobicContact CZ-CD 3.43Å; F85-K100 VanDerWaalsContact CZ-CD 3.43Å; K100-S102 WeakPolarHBondContact CE-O 3.16Å; K100-S102 WeakPolarHBondContact CG-O 3.44Å; K100-V103 HydrophobicContact CB-CG1 4.43Å; K100-V103 HydrophobicContact CG-CG1 4.4Å; K100-D107 WeakPolarHBondContact CD-OD2 3.25Å; K100-D107 WeakPolarHBondContact CE-OD2 3.38Å; K100-D107 IonicContact NZ-OD1 2.69Å; K100-D107 PolarHBondContact NZ-OD1 2.95Å; K100-D107 IonicContact NZ-OD2 2.79Å; K100-D107 PolarHBondContact NZ-OD2 2.87Å
101	A	98	Very high	97.3	Very high	82 Å²	82	54.8 Å²	54.8	68%	0.678	33%	0.328	S	S	*	.	S	Bend	trans	-68.7	-35.3	-172.8	0	0	0	0	0	113.5
102	S	97.8	Very high	97.4	Very high	51 Å²	51	56.4 Å²	56.4	36%	0.357	33%	0.333	S	S	.	.	S	Bend	trans	-148.8	112.2	-177.9	164.6	0	0	0	0	106.8	E39 K100	E39-S102 WeakPolarHBondContact CA-OG 3.29Å; K100-S102 WeakPolarHBondContact CE-O 3.16Å; K100-S102 WeakPolarHBondContact CG-O 3.44Å
103	V	97.7	Very high	97.5	Very high	11 Å²	11	53.3 Å²	53.3	7%	0.067	30%	0.3	C	S	.	.			trans	-80.8	151.9	177.3	-62.1	0	0	0	0	111.5	L36 S37 E38 E39 D40 L42 K100	L36-V103 HydrophobicContact CB-CG2 4.07Å; L36-V103 HydrophobicContact CD1-CG1 4.28Å; L36-V103 HydrophobicContact CD1-CG2 4.38Å; S37-V103 WeakPolarHBondContact O-CG2 3.47Å; E38-V103 WeakPolarHBondContact CA-O 3.48Å; E39-V103 PolarHBondContact N-O 3.04Å; D40-V103 HydrophobicContact CB-CG2 4.06Å; D40-V103 WeakPolarHBondContact O-CG2 3.35Å; D40-V103 PolarHBondContact O-N 3.25Å; L42-V103 HydrophobicContact CB-CG1 3.47Å; L42-V103 VanDerWaalsContact CB-CG1 3.47Å; L42-V103 HydrophobicContact CD2-CG1 4.06Å; L42-V103 HydrophobicContact CG-CG1 4.41Å; K100-V103 HydrophobicContact CB-CG1 4.43Å; K100-V103 HydrophobicContact CG-CG1 4.4Å
104	Q	97.8	Very high	97.6	Very high	108 Å²	108	51 Å²	51	51%	0.505	29%	0.289	S	S	.	.			trans	-126.1	160.5	175.8	-61.4	176.8	6.6	0	0	109.4	S106 D107	Q104-S106 PolarHBondContact O-N 3.2Å; Q104-S106 VanDerWaalsContact O-N 3.09Å; Q104-D107 PolarHBondContact N-OD2 2.91Å; Q104-D107 VanDerWaalsContact O-CB 3.28Å; Q104-D107 WeakPolarHBondContact O-CB 3.34Å; Q104-D107 PolarHBondContact O-N 3.35Å
105	E	96.4	Very high	97.5	Very high	156 Å²	156	50 Å²	50	73%	0.729	28%	0.281	S	S	*	.	G	3₁₀ helix	trans	-52.6	-36	175.3	-171.7	179.8	-175.6	0	0	112.4	E38 D107 S108	E38-E105 PolarHBondContact OE1-N 2.87Å; E105-D107 PolarHBondContact O-N 2.92Å; E105-D107 VanDerWaalsContact O-N 3.13Å; E105-S108 VanDerWaalsContact O-CB 3.25Å; E105-S108 WeakPolarHBondContact O-CB 3.37Å; E105-S108 PolarHBondContact O-N 2.87Å; E105-S108 PolarHBondContact O-OG 2.82Å
106	S	96.4	Very high	97.2	Very high	76 Å²	76	53.9 Å²	53.9	53%	0.531	32%	0.322	S	S	.	.	G	3₁₀ helix	trans	-65	-11.3	177.4	69.9	0	0	0	0	115.2	Y62 Q104 S108	Y62-S106 WeakPolarHBondContact CE1-O 3.14Å; Q104-S106 PolarHBondContact O-N 3.2Å; Q104-S106 VanDerWaalsContact O-N 3.09Å; S106-S108 VanDerWaalsContact C-N 3.28Å
107	D	97.5	Very high	97.2	Very high	15 Å²	15	56.6 Å²	56.6	8%	0.08	34%	0.338	C	S	.	.	G	3₁₀ helix	trans	-84	-0.9	173.1	-64.7	-47.7	0	0	0	113.2	F85 K100 Q104 E105 A109 Y111	F85-D107 VanDerWaalsContact CE2-OD1 3.31Å; F85-D107 WeakPolarHBondContact CE2-OD1 3.45Å; F85-D107 HydrophobicContact CZ-CB 4.06Å; F85-D107 WeakPolarHBondContact CZ-OD1 3.35Å; K100-D107 WeakPolarHBondContact CD-OD2 3.25Å; K100-D107 WeakPolarHBondContact CE-OD2 3.38Å; K100-D107 IonicContact NZ-OD1 2.69Å; K100-D107 PolarHBondContact NZ-OD1 2.95Å; K100-D107 IonicContact NZ-OD2 2.79Å; K100-D107 PolarHBondContact NZ-OD2 2.87Å; Q104-D107 PolarHBondContact N-OD2 2.91Å; Q104-D107 VanDerWaalsContact O-CB 3.28Å; Q104-D107 WeakPolarHBondContact O-CB 3.34Å; Q104-D107 PolarHBondContact O-N 3.35Å; E105-D107 PolarHBondContact O-N 2.92Å; E105-D107 VanDerWaalsContact O-N 3.13Å; D107-A109 PolarHBondContact O-N 2.95Å; D107-Y111 WeakPolarHBondContact O-CE2 3.32Å; D107-Y111 PolarHBondContact O-OH 2.78Å
108	S	96.9	Very high	97.1	Very high	82 Å²	82	57.6 Å²	57.6	57%	0.573	35%	0.347	S	S	*	.			trans	-64.8	98.4	177.6	-60.7	0	0	0	0	111.2	E105 S106	E105-S108 VanDerWaalsContact O-CB 3.25Å; E105-S108 WeakPolarHBondContact O-CB 3.37Å; E105-S108 PolarHBondContact O-N 2.87Å; E105-S108 PolarHBondContact O-OG 2.82Å; S106-S108 VanDerWaalsContact C-N 3.28Å
109	A	97.2	Very high	97	Very high	29 Å²	29	60.8 Å²	60.8	24%	0.24	37%	0.366	C	S	.	.	S	Bend	trans	-159.9	172.1	-176	0	0	0	0	0	111.6	V60 Q61 Y62 D107 Y111	V60-A109 HydrophobicContact CG2-CB 3.38Å; Q61-A109 WeakPolarHBondContact O-CB 3.49Å; Y62-A109 HydrophobicContact CD1-CB 3.7Å; Y62-A109 HydrophobicContact CE1-CB 3.93Å; Y62-A109 HydrophobicContact CG-CB 4.44Å; D107-A109 PolarHBondContact O-N 2.95Å; A109-Y111 HydrophobicContact CB-CE2 3.89Å
110	V	97.3	Very high	97	Very high	76 Å²	76	57.8 Å²	57.8	46%	0.461	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	132.6	168	-171.4	0	0	0	0	109.2	V60 Q61 Y112	V60-V110 CarbonylContact C-O 3.52Å; V60-V110 WeakPolarHBondContact CA-O 3.17Å; Q61-V110 PolarHBondContact N-O 3.26Å; Q61-V110 PolarHBondContact O-N 2.9Å; V110-Y112 HydrophobicContact CB-CE2 4.03Å; V110-Y112 HydrophobicContact CG1-CD1 4.48Å; V110-Y112 HydrophobicContact CG1-CD2 4.4Å; V110-Y112 HydrophobicContact CG1-CE1 3.81Å; V110-Y112 HydrophobicContact CG1-CE2 3.71Å; V110-Y112 WeakPolarHBondContact CG1-OH 3.41Å
111	Y	97.7	Very high	96.9	Very high	16 Å²	16	60.3 Å²	60.3	6%	0.063	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	125.3	-179.7	-66.4	-95	0	0	0	110.7	Q29 I44 Y59 V60 L70 F85 L98 D107 A109	Q29-Y111 PolarHBondContact NE2-O 3.39Å; I44-Y111 HydrophobicContact CD1-CD2 3.89Å; I44-Y111 HydrophobicContact CD1-CG 3.86Å; Y59-Y111 WeakPolarHBondContact O-CA 3.31Å; V60-Y111 HydrophobicContact CB-CD1 3.95Å; V60-Y111 HydrophobicContact CB-CE1 3.83Å; V60-Y111 HydrophobicContact CG2-CD1 3.91Å; V60-Y111 HydrophobicContact CG2-CE1 3.49Å; V60-Y111 VanDerWaalsContact CG2-CE1 3.49Å; V60-Y111 HydrophobicContact CG2-CE2 4.26Å; V60-Y111 HydrophobicContact CG2-CG 4.47Å; L70-Y111 HydrophobicContact CD1-CD1 3.94Å; L70-Y111 HydrophobicContact CD1-CE1 4.05Å; F85-Y111 HydrophobicContact CD1-CE1 4.28Å; F85-Y111 HydrophobicContact CD2-CE1 4.42Å; F85-Y111 AromaticContact CE1-CE1 3.77Å; F85-Y111 HydrophobicContact CE1-CE1 3.77Å; F85-Y111 AromaticContact CE1-CZ 3.84Å; F85-Y111 AromaticContact CE2-CE1 3.96Å; F85-Y111 HydrophobicContact CE2-CE1 3.96Å; F85-Y111 WeakPolarHBondContact CE2-OH 3.14Å; F85-Y111 AromaticContact CZ-CE1 3.63Å; F85-Y111 HydrophobicContact CZ-CE1 3.63Å; F85-Y111 HydrophobicContact CZ-CE2 4.45Å; F85-Y111 AromaticContact CZ-CZ 3.44Å; F85-Y111 VanDerWaalsContact CZ-CZ 3.44Å; F85-Y111 WeakPolarHBondContact CZ-OH 3.31Å; L98-Y111 HydrophobicContact CD2-CD1 3.44Å; L98-Y111 VanDerWaalsContact CD2-CD1 3.44Å; L98-Y111 HydrophobicContact CD2-CE1 4.07Å; L98-Y111 HydrophobicContact CD2-CG 3.99Å; D107-Y111 WeakPolarHBondContact O-CE2 3.32Å; D107-Y111 PolarHBondContact O-OH 2.78Å; A109-Y111 HydrophobicContact CB-CE2 3.89Å
112	Y	97.5	Very high	96.8	Very high	92 Å²	92	58.9 Å²	58.9	36%	0.361	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	125.3	-177.6	-58.6	-79.9	0	0	0	110.9	W58 Y59 Q61 V110	W58-Y112 WeakPolarHBondContact CA-O 3.46Å; W58-Y112 VanDerWaalsContact CE3-C 3.4Å; W58-Y112 VanDerWaalsContact CE3-O 3.24Å; Y59-Y112 PolarHBondContact N-O 3.44Å; Y59-Y112 PolarHBondContact O-N 3.41Å; Q61-Y112 HydrophobicContact CB-CD2 4.47Å; Q61-Y112 HydrophobicContact CB-CE2 3.77Å; Q61-Y112 VanDerWaalsContact OE1-CE2 3.31Å; Q61-Y112 PolarHBondContact OE1-OH 2.93Å; Q61-Y112 VanDerWaalsContact OE1-OH 3.09Å; V110-Y112 HydrophobicContact CB-CE2 4.03Å; V110-Y112 HydrophobicContact CG1-CD1 4.48Å; V110-Y112 HydrophobicContact CG1-CD2 4.4Å; V110-Y112 HydrophobicContact CG1-CE1 3.81Å; V110-Y112 HydrophobicContact CG1-CE2 3.71Å; V110-Y112 WeakPolarHBondContact CG1-OH 3.41Å
113	C	98	Very high	96.7	Very high	8 Å²	8	59.4 Å²	59.4	5%	0.054	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	141.1	164.3	-167	0	0	0	0	108.9	V27 Q29 C46 F57 W58	V27-C113 WeakPolarHBondContact CG2-O 3.46Å; Q29-C113 HydrophobicContact CG-CB 4.09Å; C46-C113 HydrophobicContact CB-CB 3.53Å; C46-C113 WeakPolarHBondContact CB-SG 3.1Å; C46-C113 WeakPolarHBondContact SG-CB 3.38Å; C46-C113 CovalentContact SG-SG 2.02Å; C46-C113 PolarHBondContact SG-SG 3.04Å; F57-C113 WeakPolarHBondContact O-CA 3.47Å; W58-C113 HydrophobicContact CD2-CB 4.37Å; W58-C113 HydrophobicContact CE3-CB 4.22Å; W58-C113 HydrophobicContact CH2-CB 3.69Å; W58-C113 HydrophobicContact CZ2-CB 3.82Å; W58-C113 HydrophobicContact CZ3-CB 3.89Å
114	A	97.6	Very high	96.7	Very high	31 Å²	31	63.2 Å²	63.2	26%	0.256	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	154.7	174.4	0	0	0	0	0	110.7	L56 F57 Y59	L56-A114 WeakPolarHBondContact CA-O 3.19Å; F57-A114 HydrophobicContact CB-CB 4.36Å; F57-A114 PolarHBondContact N-O 3.47Å; F57-A114 PolarHBondContact O-N 3.16Å; Y59-A114 HydrophobicContact CE2-CB 4.32Å
115	L	95.4	Very high	96.6	Very high	45 Å²	45	59.4 Å²	59.4	24%	0.236	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	149.9	168.9	70.6	92.3	0	0	0	109.1	D25 S26 V27 P54 A55 L56	D25-L115 HydrophobicContact CB-CD1 3.59Å; D25-L115 HydrophobicContact CB-CD2 4.05Å; S26-L115 VanDerWaalsContact CA-CD2 3.45Å; S26-L115 VanDerWaalsContact N-CD2 3.26Å; S26-L115 VanDerWaalsContact O-CD2 3.24Å; S26-L115 WeakPolarHBondContact O-CD2 3.16Å; V27-L115 HydrophobicContact CG1-CB 3.99Å; V27-L115 HydrophobicContact CG1-CD2 3.8Å; V27-L115 HydrophobicContact CG1-CG 4.23Å; P54-L115 HydrophobicContact CB-CB 4.2Å; P54-L115 HydrophobicContact CG-CB 4.47Å; A55-L115 CarbonylContact O-C 3.56Å; A55-L115 WeakPolarHBondContact O-CA 3.15Å; L56-L115 HydrophobicContact CD2-CB 3.8Å
116	G	91.2	Very high	96.6	Very high	87 Å²	87	50.6 Å²	50.6	90%	0.897	34%	0.341	S	S	*	.			trans	-149.6	0	174.5	0	0	0	0	0	112.8	P54 A55	P54-G116 WeakPolarHBondContact CB-O 3.49Å; A55-G116 PolarHBondContact N-O 2.88Å; A55-G116 PolarHBondContact O-N 2.75Å

Retrieved 116 of 116 residues in 310.4 ms (Link to these results)

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