A0A075B6A9_MOUSE Loading...

T cell receptor alpha variable 9D-2

AlphaFold DB , UniProt , Accession A0A075B6A9, Species MOUSE (Mus musculus, Mouse), Gene Trav9d-2, Length 112 aa.

						>A0A075B6A9_MOUSE|A0A075B6A9|Trav9d-2
MLLALLPVLGIHFVLNAQAQSVTQPDARVTVSEGASLQLRCKYSSSGTPYLFWYVQYPRQGLQLLLKYYSGDPVVQGVNGFEAEFSKSNSSFHLRKASVHWSDSAVYFCVLS
					

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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	39	Very low	52.4	Low	236 Å²	236	141.4 Å²	141.4	100%	1.163	80%	0.798	S	S	*	*				0	104.3	0	-77.8	175.4	46.4	0	0	108
2	L	35.3	Very low	52.7	Low	175 Å²	175	143.9 Å²	143.9	92%	0.916	80%	0.798	S	S	*	*			trans	-90.8	108.6	-177.2	-158.3	78.7	0	0	0	107.6	A4	L2-A4 PolarHBondContact O-N 3.12Å; L2-A4 VanDerWaalsContact O-N 3.14Å
3	L	38.2	Very low	53.1	Low	163 Å²	163	145.9 Å²	145.9	85%	0.853	79%	0.794	S	S	*	*			trans	-75.6	97.9	172.3	-77.3	161.9	0	0	0	107.9	L5	L3-L5 PolarHBondContact O-N 3.36Å
4	A	46.7	Very low	53.9	Low	84 Å²	84	143.7 Å²	143.7	69%	0.694	79%	0.787	S	S	*	*			trans	-72.8	105.6	169.5	0	0	0	0	0	108.6	L2 L6	L2-A4 PolarHBondContact O-N 3.12Å; L2-A4 VanDerWaalsContact O-N 3.14Å; A4-L6 PolarHBondContact O-N 2.82Å; A4-L6 VanDerWaalsContact O-N 3.11Å
5	L	53.9	Low	54.3	Low	167 Å²	167	144.1 Å²	144.1	87%	0.874	79%	0.786	S	S	*	*			trans	-70.9	100	167	-68.4	166.1	0	0	0	107.1	L3 P7	L3-L5 PolarHBondContact O-N 3.36Å; L5-P7 WeakPolarHBondContact O-CD 3.28Å
6	L	52.4	Low	54.6	Low	151 Å²	151	144.3 Å²	144.3	79%	0.791	79%	0.786	S	S	*	*			trans	-61.6	120.6	169.5	-68.5	166.6	0	0	0	107.1	A4 V8	A4-L6 PolarHBondContact O-N 2.82Å; A4-L6 VanDerWaalsContact O-N 3.11Å; L6-V8 PolarHBondContact O-N 3.45Å
7	P	58.4	Low	55	Low	115 Å²	115	141.1 Å²	141.1	75%	0.747	78%	0.784	S	S	*	*			trans	-65.4	106.8	171.1	27.3	-29.2	0	0	0	105.4	L5 L9	L5-P7 WeakPolarHBondContact O-CD 3.28Å; P7-L9 VanDerWaalsContact C-N 3.27Å; P7-L9 PolarHBondContact O-N 3.01Å
8	V	60.8	Low	55.7	Low	136 Å²	136	140.5 Å²	140.5	82%	0.824	77%	0.774	S	S	*	*			trans	-59.8	104.4	166	-178.1	0	0	0	0	103.8	L6 G10	L6-V8 PolarHBondContact O-N 3.45Å; V8-G10 PolarHBondContact O-N 2.86Å
9	L	62.5	Low	56.9	Low	160 Å²	160	137.5 Å²	137.5	84%	0.838	77%	0.77	S	S	*	*			trans	-67.7	80.2	174.2	-166.5	80.7	0	0	0	105.6	P7 I11	P7-L9 VanDerWaalsContact C-N 3.27Å; P7-L9 PolarHBondContact O-N 3.01Å; L9-I11 PolarHBondContact O-N 2.97Å
10	G	63.1	Low	58.6	Low	41 Å²	41	135.1 Å²	135.1	42%	0.423	75%	0.752	S	S	.	*			trans	-59.9	110.3	176.6	0	0	0	0	0	106.2	V8 H12	V8-G10 PolarHBondContact O-N 2.86Å; G10-H12 PolarHBondContact O-N 3.35Å
11	I	65.8	Low	60.4	Low	127 Å²	127	131.3 Å²	131.3	65%	0.651	74%	0.735	S	S	*	*			trans	-64.7	95.6	169.4	-58.1	173.6	0	0	0	104.8	L9 F13	L9-I11 PolarHBondContact O-N 2.97Å; I11-F13 HydrophobicContact CB-CD2 4.24Å; I11-F13 HydrophobicContact CB-CE2 3.96Å; I11-F13 HydrophobicContact CG2-CD2 3.7Å; I11-F13 HydrophobicContact CG2-CE1 4.3Å; I11-F13 HydrophobicContact CG2-CE2 3.42Å; I11-F13 VanDerWaalsContact CG2-CE2 3.42Å; I11-F13 HydrophobicContact CG2-CG 4.26Å; I11-F13 HydrophobicContact CG2-CZ 3.76Å; I11-F13 WeakPolarHBondContact O-CD2 3.37Å; I11-F13 PolarHBondContact O-N 2.89Å
12	H	56.8	Low	63.2	Low	172 Å²	172	122.5 Å²	122.5	80%	0.796	69%	0.694	S	S	*	*			trans	-67.6	90.2	169.5	-74	-72.1	0	0	0	106.7	G10 V14	G10-H12 PolarHBondContact O-N 3.35Å; H12-V14 PolarHBondContact O-N 3.04Å
13	F	57.4	Low	66.2	Low	170 Å²	170	118 Å²	118	75%	0.746	67%	0.674	S	S	*	*			trans	-66.1	87.4	162.3	-74	-83.2	0	0	0	107.1	I11 L15	I11-F13 HydrophobicContact CB-CD2 4.24Å; I11-F13 HydrophobicContact CB-CE2 3.96Å; I11-F13 HydrophobicContact CG2-CD2 3.7Å; I11-F13 HydrophobicContact CG2-CE1 4.3Å; I11-F13 HydrophobicContact CG2-CE2 3.42Å; I11-F13 VanDerWaalsContact CG2-CE2 3.42Å; I11-F13 HydrophobicContact CG2-CG 4.26Å; I11-F13 HydrophobicContact CG2-CZ 3.76Å; I11-F13 WeakPolarHBondContact O-CD2 3.37Å; I11-F13 PolarHBondContact O-N 2.89Å; F13-L15 VanDerWaalsContact C-N 3.26Å; F13-L15 PolarHBondContact O-N 2.83Å
14	V	64.6	Low	69	Low	115 Å²	115	113.4 Å²	113.4	70%	0.697	65%	0.648	S	S	*	*			trans	-68.8	95.4	164.1	-173	0	0	0	0	105.4	H12 N16	H12-V14 PolarHBondContact O-N 3.04Å; V14-N16 VanDerWaalsContact C-N 3.35Å; V14-N16 PolarHBondContact O-N 3Å
15	L	60.2	Low	71.5	Confident	149 Å²	149	112.7 Å²	112.7	78%	0.78	64%	0.636	S	S	*	*			trans	-65.4	99.9	169.9	-129.9	86.1	0	0	0	106.3	F13 A17	F13-L15 VanDerWaalsContact C-N 3.26Å; F13-L15 PolarHBondContact O-N 2.83Å; L15-A17 PolarHBondContact O-N 2.89Å
16	N	58.7	Low	73.5	Confident	147 Å²	147	107.6 Å²	107.6	79%	0.786	61%	0.61	S	S	*	*			trans	-69.7	80.4	167.4	-93	-10.1	0	0	0	107.9	V14 Q18	V14-N16 VanDerWaalsContact C-N 3.35Å; V14-N16 PolarHBondContact O-N 3Å; N16-Q18 PolarHBondContact O-N 2.83Å
17	A	60.8	Low	75.5	Confident	90 Å²	90	105.8 Å²	105.8	74%	0.744	62%	0.617	S	S	*	*			trans	-69.4	99.5	166.4	0	0	0	0	0	107.2	L15 A19	L15-A17 PolarHBondContact O-N 2.89Å; A17-A19 PolarHBondContact O-N 3.49Å
18	Q	68.4	Low	77.4	Confident	131 Å²	131	110.4 Å²	110.4	61%	0.612	62%	0.619	S	S	*	*			trans	-81.8	112.8	-179.3	-165.7	157.6	1.1	0	0	109.9	N16 S46	N16-Q18 PolarHBondContact O-N 2.83Å; Q18-S46 WeakPolarHBondContact CG-OG 3.41Å; Q18-S46 PolarHBondContact NE2-OG 3.13Å; Q18-S46 PolarHBondContact OE1-OG 3.25Å; Q18-S46 VanDerWaalsContact OE1-OG 3.05Å
19	A	78.5	Confident	79.2	Confident	83 Å²	83	106.9 Å²	106.9	69%	0.686	60%	0.598	S	S	*	*			trans	-79.5	128.9	179.6	0	0	0	0	0	110.7	A17	A17-A19 PolarHBondContact O-N 3.49Å
20	Q	90.8	Very high	80.8	Confident	90 Å²	90	104.7 Å²	104.7	42%	0.421	59%	0.591	S	S	.	*			trans	-88.5	145.6	164.5	-73.6	179.9	-21.9	0	0	109.3	S44 S45 L111	Q20-S44 VanDerWaalsContact CA-O 3.3Å; Q20-S44 WeakPolarHBondContact CA-O 3.44Å; Q20-S45 PolarHBondContact NE2-OG 3.23Å; Q20-L111 HydrophobicContact CB-CD2 3.75Å; Q20-L111 HydrophobicContact CG-CD2 4.09Å
21	S	95.7	Very high	82.5	Confident	56 Å²	56	105.5 Å²	105.5	39%	0.392	59%	0.588	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-147	153.4	177.9	68.4	0	0	0	0	112.5	Y43 S44	S21-Y43 CarbonylContact O-C 3.52Å; S21-Y43 WeakPolarHBondContact O-CA 3.2Å; S21-S44 PolarHBondContact N-O 2.74Å; S21-S44 PolarHBondContact O-N 3.01Å; S21-S44 VanDerWaalsContact OG-CB 3.31Å; S21-S44 WeakPolarHBondContact OG-CB 3.25Å
22	V	97.9	Very high	84	Confident	50 Å²	50	103.8 Å²	103.8	30%	0.303	59%	0.587	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-123.9	144	169	177.8	0	0	0	0	109	K42 C109 L111	V22-K42 CarbonylContact C-O 3.52Å; V22-K42 WeakPolarHBondContact CA-O 3.14Å; V22-C109 HydrophobicContact CG1-CB 3.87Å; V22-L111 HydrophobicContact CG2-CB 3.35Å
23	T	98.3	Very high	86	Confident	80 Å²	80	101 Å²	101	49%	0.491	58%	0.575	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-133.5	120	176.9	-53.2	0	0	0	0	110.1	K42	T23-K42 PolarHBondContact N-O 2.75Å; T23-K42 PolarHBondContact O-N 3.48Å
24	Q	98.6	Very high	87.9	Confident	68 Å²	68	95.1 Å²	95.1	32%	0.318	56%	0.562	S	S	.	*			trans	-108.4	106.1	168.9	-68.2	179.7	-110.9	0	0	107.7	D26 Y107 C109	Q24-D26 VanDerWaalsContact C-N 3.31Å; Q24-D26 PolarHBondContact O-N 2.7Å; Q24-Y107 PolarHBondContact NE2-O 3.47Å; Q24-C109 HydrophobicContact CG-CB 4.05Å
25	P	97.3	Very high	89.5	Confident	68 Å²	68	91.5 Å²	91.5	44%	0.442	54%	0.544	S	S	.	.			trans	-73.5	-23.3	-171.5	29.1	-36	0	0	0	113.4	R40	P25-R40 HydrophobicContact CG-CB 3.74Å
26	D	97.1	Very high	91.3	Very high	60 Å²	60	88.7 Å²	88.7	32%	0.321	54%	0.536	S	S	.	.			trans	-98.6	106	-176.3	-55.8	-59.4	0	0	0	109.9	Q24 R28 V29 R40	Q24-D26 VanDerWaalsContact C-N 3.31Å; Q24-D26 PolarHBondContact O-N 2.7Å; D26-R28 VanDerWaalsContact C-N 3.28Å; D26-R28 PolarHBondContact O-N 3.01Å; D26-V29 HydrophobicContact CB-CG2 3.73Å; D26-R40 IonicContact OD1-CZ 3.58Å; D26-R40 IonicContact OD1-NE 3.29Å; D26-R40 IonicContact OD1-NH2 3.44Å; D26-R40 PolarHBondContact OD1-NH2 3.21Å; D26-R40 IonicContact OD2-CZ 3Å; D26-R40 VanDerWaalsContact OD2-CZ 3.29Å; D26-R40 IonicContact OD2-NE 2.7Å; D26-R40 PolarHBondContact OD2-NE 3.05Å; D26-R40 IonicContact OD2-NH2 3.72Å; D26-R40 PolarHBondContact OD2-NH2 3.27Å
27	A	95.1	Very high	93.2	Very high	113 Å²	113	82.6 Å²	82.6	93%	0.934	50%	0.504	S	S	*	.	S	Bend	trans	-69.3	-28.8	177.5	0	0	0	0	0	112.6
28	R	97	Very high	95	Very high	212 Å²	212	82 Å²	82	80%	0.8	49%	0.486	S	S	*	.			trans	-148	133.3	177.2	-175.3	176.9	175.2	173.1	-0.1	109.6	D26	D26-R28 VanDerWaalsContact C-N 3.28Å; D26-R28 PolarHBondContact O-N 3.01Å
29	V	97.8	Very high	96.4	Very high	63 Å²	63	76.7 Å²	76.7	38%	0.382	46%	0.462	S	S	.	.			trans	-120.1	132.6	172.2	-179.3	0	0	0	0	107.6	D26 L37 L39	D26-V29 HydrophobicContact CB-CG2 3.73Å; V29-L37 HydrophobicContact CG1-CD1 3.74Å; V29-L39 HydrophobicContact CB-CD2 4.04Å; V29-L39 HydrophobicContact CG1-CD2 4.43Å; V29-L39 HydrophobicContact CG2-CD2 3.72Å
30	T	97.8	Very high	97.4	Very high	113 Å²	113	77.9 Å²	77.9	69%	0.693	45%	0.448	S	S	*	.			trans	-122.4	127.9	174.3	-58.4	0	0	0	0	107.5
31	V	97.4	Very high	97.7	Very high	58 Å²	58	73.6 Å²	73.6	35%	0.352	43%	0.428	S	S	.	.			trans	-140.8	142.3	-172.5	55.9	0	0	0	0	108.2	A35 L37 V99	V31-A35 HydrophobicContact CG2-CB 3.74Å; V31-L37 HydrophobicContact CG1-CD1 4.22Å; V31-V99 HydrophobicContact CG1-CG2 3.81Å; V31-V99 HydrophobicContact CG2-CG2 4.01Å
32	S	98.1	Very high	97.9	Very high	92 Å²	92	74.9 Å²	74.9	64%	0.643	43%	0.427	S	S	*	.			trans	-73.1	145.3	175.8	-60.4	0	0	0	0	110.6	A35 V99	S32-A35 VanDerWaalsContact O-CB 3.28Å; S32-A35 WeakPolarHBondContact O-CB 3.36Å; S32-A35 PolarHBondContact O-N 2.78Å; S32-A35 VanDerWaalsContact O-N 3.12Å; S32-V99 WeakPolarHBondContact O-CG2 3.46Å
33	E	98	Very high	97.8	Very high	114 Å²	114	73.4 Å²	73.4	53%	0.533	42%	0.416	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.5	140.6	171.5	-178.7	159.9	-113.5	0	0	111.2	A35 H100 W101	E33-A35 PolarHBondContact O-N 3.44Å; E33-H100 IonicContact OE1-CD2 3.95Å; E33-H100 PolarHBondContact OE1-CD2 2.79Å; E33-H100 IonicContact OE1-CG 2.79Å; E33-H100 IonicContact OE1-NE2 3.01Å; E33-W101 VanDerWaalsContact OE1-CD1 3.29Å; E33-W101 PolarHBondContact OE1-N 3.18Å
34	G	98.1	Very high	97.7	Very high	45 Å²	45	72.7 Å²	72.7	46%	0.464	41%	0.414	S	S	.	.	T	Hydrogen-bonded Turn	trans	84.1	-16.9	-175.5	0	0	0	0	0	115	S98 V99	G34-S98 WeakPolarHBondContact CA-OG 3.49Å; G34-S98 PolarHBondContact O-OG 2.71Å; G34-V99 PolarHBondContact N-O 2.81Å
35	A	98.5	Very high	97.4	Very high	39 Å²	39	70.8 Å²	70.8	32%	0.322	41%	0.408	S	S	.	.	S	Bend	trans	-82.4	160.4	179.9	0	0	0	0	0	112.4	V31 S32 E33 S98 V99	V31-A35 HydrophobicContact CG2-CB 3.74Å; S32-A35 VanDerWaalsContact O-CB 3.28Å; S32-A35 WeakPolarHBondContact O-CB 3.36Å; S32-A35 PolarHBondContact O-N 2.78Å; S32-A35 VanDerWaalsContact O-N 3.12Å; E33-A35 PolarHBondContact O-N 3.44Å; A35-S98 WeakPolarHBondContact O-CA 3.33Å; A35-V99 WeakPolarHBondContact O-CG2 3.42Å; A35-V99 PolarHBondContact O-N 2.94Å
36	S	98.2	Very high	97	Very high	90 Å²	90	70.8 Å²	70.8	63%	0.629	41%	0.41	S	S	*	.			trans	-76	139.5	175.3	63.1	0	0	0	0	111.7	K96 A97	S36-K96 CarbonylContact C-O 3.58Å; S36-K96 WeakPolarHBondContact CA-O 3.31Å; S36-A97 VanDerWaalsContact CA-O 3.25Å; S36-A97 WeakPolarHBondContact CA-O 3.22Å; S36-A97 WeakPolarHBondContact CB-O 3.36Å; S36-A97 PolarHBondContact N-O 3.01Å
37	L	97.8	Very high	96.6	Very high	19 Å²	19	70 Å²	70	10%	0.099	42%	0.416	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	142.5	174.7	174	67.4	0	0	0	110.8	V29 V31 L39 F81 R95 K96 V99	V29-L37 HydrophobicContact CG1-CD1 3.74Å; V31-L37 HydrophobicContact CG1-CD1 4.22Å; L37-L39 HydrophobicContact CD1-CD2 3.76Å; L37-L39 HydrophobicContact CD1-CG 4.21Å; L37-L39 HydrophobicContact CD2-CD2 4.47Å; L37-L39 HydrophobicContact CD2-CG 4.21Å; L37-L39 HydrophobicContact CG-CD2 4.31Å; L37-L39 HydrophobicContact CG-CG 4.22Å; L37-F81 HydrophobicContact CD2-CE1 4.32Å; L37-R95 VanDerWaalsContact O-CA 3.29Å; L37-R95 WeakPolarHBondContact O-CA 3.49Å; L37-K96 PolarHBondContact N-O 3.48Å; L37-K96 PolarHBondContact O-N 2.84Å; L37-V99 HydrophobicContact CB-CG1 3.38Å; L37-V99 HydrophobicContact CD2-CG1 3.98Å; L37-V99 HydrophobicContact CG-CG1 4.3Å
38	Q	98.2	Very high	96.4	Very high	77 Å²	77	69.7 Å²	69.7	36%	0.36	40%	0.403	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135	122.5	163.5	-178.6	176.8	-52.6	0	0	109.8	H93 L94 R95	Q38-H93 HydrophobicContact CG-CB 4.34Å; Q38-L94 CarbonylContact C-O 3.45Å; Q38-L94 VanDerWaalsContact CA-O 3.29Å; Q38-L94 WeakPolarHBondContact CA-O 3.28Å; Q38-R95 HydrophobicContact CG-CG 4.23Å; Q38-R95 VanDerWaalsContact OE1-CZ 3.32Å
39	L	98.6	Very high	96.3	Very high	21 Å²	21	60 Å²	60	11%	0.11	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	123.8	170.9	-58	-176.6	0	0	0	109.7	V29 L37 W53 H93 L94 Y107	V29-L39 HydrophobicContact CB-CD2 4.04Å; V29-L39 HydrophobicContact CG1-CD2 4.43Å; V29-L39 HydrophobicContact CG2-CD2 3.72Å; L37-L39 HydrophobicContact CD1-CD2 3.76Å; L37-L39 HydrophobicContact CD1-CG 4.21Å; L37-L39 HydrophobicContact CD2-CD2 4.47Å; L37-L39 HydrophobicContact CD2-CG 4.21Å; L37-L39 HydrophobicContact CG-CD2 4.31Å; L37-L39 HydrophobicContact CG-CG 4.22Å; L39-W53 HydrophobicContact CB-CH2 3.81Å; L39-W53 HydrophobicContact CB-CZ2 4.38Å; L39-W53 HydrophobicContact CB-CZ3 4.4Å; L39-W53 HydrophobicContact CD1-CZ3 4.41Å; L39-H93 WeakPolarHBondContact O-CA 3.27Å; L39-L94 HydrophobicContact CB-CB 4.28Å; L39-L94 HydrophobicContact CD1-CD2 4.23Å; L39-L94 PolarHBondContact N-O 3.01Å; L39-L94 PolarHBondContact O-N 3.44Å; L39-Y107 VanDerWaalsContact CD1-CB 3.47Å; L39-Y107 HydrophobicContact CD1-CD1 4.24Å; L39-Y107 HydrophobicContact CD1-CD2 3.7Å; L39-Y107 HydrophobicContact CD1-CE2 4.5Å; L39-Y107 HydrophobicContact CD1-CG 3.55Å
40	R	98.6	Very high	96.3	Very high	107 Å²	107	61.9 Å²	61.9	40%	0.404	37%	0.368	S	S	.	.			trans	-83	136.3	-176.2	-65.7	-177.1	-65.8	158.2	-4.2	110.8	P25 D26	P25-R40 HydrophobicContact CG-CB 3.74Å; D26-R40 IonicContact OD1-CZ 3.58Å; D26-R40 IonicContact OD1-NE 3.29Å; D26-R40 IonicContact OD1-NH2 3.44Å; D26-R40 PolarHBondContact OD1-NH2 3.21Å; D26-R40 IonicContact OD2-CZ 3Å; D26-R40 VanDerWaalsContact OD2-CZ 3.29Å; D26-R40 IonicContact OD2-NE 2.7Å; D26-R40 PolarHBondContact OD2-NE 3.05Å; D26-R40 IonicContact OD2-NH2 3.72Å; D26-R40 PolarHBondContact OD2-NH2 3.27Å
41	C	98.6	Very high	96.3	Very high	0 Å²	0	56.5 Å²	56.5	0%	0	34%	0.335	C	S	.	.			trans	-139.9	126	170.8	174.2	0	0	0	0	109.7	W53 S91 F92 H93 C109	C41-W53 HydrophobicContact CB-CH2 4.12Å; C41-W53 HydrophobicContact CB-CZ2 3.5Å; C41-W53 VanDerWaalsContact CB-CZ2 3.5Å; C41-S91 WeakPolarHBondContact O-CA 3.15Å; C41-S91 WeakPolarHBondContact O-CB 2.99Å; C41-F92 WeakPolarHBondContact CB-O 3.29Å; C41-F92 PolarHBondContact O-N 2.95Å; C41-F92 VanDerWaalsContact O-N 3.12Å; C41-H93 PolarHBondContact N-ND1 2.76Å; C41-H93 PolarHBondContact O-CE1 3.05Å; C41-H93 PolarHBondContact O-ND1 2.72Å; C41-C109 HydrophobicContact CB-CB 3.51Å; C41-C109 WeakPolarHBondContact CB-SG 3.29Å; C41-C109 WeakPolarHBondContact SG-CB 3.5Å; C41-C109 CovalentContact SG-SG 2.02Å; C41-C109 PolarHBondContact SG-SG 2.84Å
42	K	98.4	Very high	96.3	Very high	84 Å²	84	55 Å²	55	37%	0.365	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	148.7	168.9	-69.2	-64	-170.1	-179.6	0	109.3	V22 T23 N89 S90	V22-K42 CarbonylContact C-O 3.52Å; V22-K42 WeakPolarHBondContact CA-O 3.14Å; T23-K42 PolarHBondContact N-O 2.75Å; T23-K42 PolarHBondContact O-N 3.48Å; K42-N89 PolarHBondContact NZ-O 2.93Å; K42-S90 CarbonylContact C-O 3.54Å; K42-S90 VanDerWaalsContact CA-O 3.31Å; K42-S90 WeakPolarHBondContact CA-O 3.21Å; K42-S90 WeakPolarHBondContact CD-O 3.24Å
43	Y	97.4	Very high	96.4	Very high	19 Å²	19	50.6 Å²	50.6	8%	0.075	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	161.9	175.9	73.1	-95.2	0	0	0	111.3	S21 P49 L51 F85 S90	S21-Y43 CarbonylContact O-C 3.52Å; S21-Y43 WeakPolarHBondContact O-CA 3.2Å; Y43-P49 HydrophobicContact CD2-CB 4.16Å; Y43-P49 HydrophobicContact CD2-CG 4.47Å; Y43-P49 HydrophobicContact CE2-CB 3.83Å; Y43-P49 HydrophobicContact CE2-CG 3.67Å; Y43-L51 HydrophobicContact CD1-CD1 3.53Å; Y43-L51 HydrophobicContact CD1-CD2 3.97Å; Y43-L51 HydrophobicContact CD1-CG 4.4Å; Y43-L51 HydrophobicContact CE1-CD1 3.46Å; Y43-L51 VanDerWaalsContact CE1-CD1 3.46Å; Y43-L51 HydrophobicContact CG-CD1 4.27Å; Y43-L51 HydrophobicContact CG-CD2 4.06Å; Y43-F85 HydrophobicContact CE1-CD2 4.47Å; Y43-F85 HydrophobicContact CE1-CE2 4.05Å; Y43-F85 AromaticContact CZ-CE2 3.9Å; Y43-F85 WeakPolarHBondContact OH-CE2 3.18Å; Y43-S90 VanDerWaalsContact CD1-C 3.43Å; Y43-S90 WeakPolarHBondContact CD1-O 3.34Å; Y43-S90 PolarHBondContact N-O 2.82Å; Y43-S90 WeakPolarHBondContact O-CB 3.31Å
44	S	95.9	Very high	96.4	Very high	64 Å²	64	48.5 Å²	48.5	45%	0.448	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	126.2	168.1	-173.3	0	0	0	0	108.2	Q20 S21 L111	Q20-S44 VanDerWaalsContact CA-O 3.3Å; Q20-S44 WeakPolarHBondContact CA-O 3.44Å; S21-S44 PolarHBondContact N-O 2.74Å; S21-S44 PolarHBondContact O-N 3.01Å; S21-S44 VanDerWaalsContact OG-CB 3.31Å; S21-S44 WeakPolarHBondContact OG-CB 3.25Å; S44-L111 VanDerWaalsContact O-CD2 3.25Å; S44-L111 WeakPolarHBondContact O-CD2 3.39Å
45	S	92.6	Very high	96.4	Very high	29 Å²	29	46.6 Å²	46.6	20%	0.203	26%	0.26	C	S	.	.			trans	-151.1	143.3	179.1	-171.8	0	0	0	0	110.4	Q20 G47	Q20-S45 PolarHBondContact NE2-OG 3.23Å; S45-G47 VanDerWaalsContact C-N 3.34Å; S45-G47 PolarHBondContact OG-N 3.36Å
46	S	88.1	Confident	96.4	Very high	67 Å²	67	48.1 Å²	48.1	47%	0.469	26%	0.261	S	S	.	.	S	Bend	trans	-67.3	-36.8	167.4	-4	0	0	0	0	113.5	Q18	Q18-S46 WeakPolarHBondContact CG-OG 3.41Å; Q18-S46 PolarHBondContact NE2-OG 3.13Å; Q18-S46 PolarHBondContact OE1-OG 3.25Å; Q18-S46 VanDerWaalsContact OE1-OG 3.05Å
47	G	88.1	Confident	96.4	Very high	44 Å²	44	45.7 Å²	45.7	45%	0.454	24%	0.238	S	C	.	.	S	Bend	trans	-104.3	-165.6	-160.2	0	0	0	0	0	111.4	S45 P49	S45-G47 VanDerWaalsContact C-N 3.34Å; S45-G47 PolarHBondContact OG-N 3.36Å; G47-P49 VanDerWaalsContact O-CD 3.23Å; G47-P49 WeakPolarHBondContact O-CD 3.4Å
48	T	91.6	Very high	96.3	Very high	107 Å²	107	48.9 Å²	48.9	66%	0.656	26%	0.26	S	S	*	.			trans	-72.9	112.1	166.6	-56.1	0	0	0	0	108.1	Y50	T48-Y50 HydrophobicContact CG2-CE1 4.29Å
49	P	94.7	Very high	96.2	Very high	8 Å²	8	57 Å²	57	5%	0.052	29%	0.287	C	S	.	.			trans	-77.3	135.9	-176.8	32.7	-34.9	0	0	0	110.7	Y43 G47 L51 F85 L111	Y43-P49 HydrophobicContact CD2-CB 4.16Å; Y43-P49 HydrophobicContact CD2-CG 4.47Å; Y43-P49 HydrophobicContact CE2-CB 3.83Å; Y43-P49 HydrophobicContact CE2-CG 3.67Å; G47-P49 VanDerWaalsContact O-CD 3.23Å; G47-P49 WeakPolarHBondContact O-CD 3.4Å; P49-L51 HydrophobicContact CB-CD1 4.35Å; P49-L51 HydrophobicContact CB-CG 4.26Å; P49-L51 HydrophobicContact CG-CD1 4.46Å; P49-F85 HydrophobicContact CG-CE2 3.78Å; P49-F85 HydrophobicContact CG-CZ 4.08Å; P49-L111 HydrophobicContact CB-CD1 3.33Å
50	Y	97.3	Very high	96.1	Very high	103 Å²	103	60.7 Å²	60.7	40%	0.404	30%	0.304	S	S	.	.			trans	-101.1	122.9	163	-60.1	-28.1	0	0	0	109	T48 F52 Y69 L111 S112	T48-Y50 HydrophobicContact CG2-CE1 4.29Å; Y50-F52 WeakPolarHBondContact O-CE2 3.25Å; Y50-Y69 AromaticContact CD1-CD1 3.7Å; Y50-Y69 HydrophobicContact CD1-CD1 3.7Å; Y50-Y69 HydrophobicContact CD1-CG 4.44Å; Y50-Y69 HydrophobicContact CD2-CD1 4.08Å; Y50-Y69 HydrophobicContact CD2-CE1 4.37Å; Y50-Y69 HydrophobicContact CE1-CD1 4.15Å; Y50-Y69 AromaticContact CG-CD1 3.65Å; Y50-Y69 HydrophobicContact CG-CD1 3.65Å; Y50-Y69 HydrophobicContact CG-CE1 4.22Å; Y50-L111 CarbonylContact O-C 3.57Å; Y50-L111 WeakPolarHBondContact O-CA 3.4Å; Y50-S112 PolarHBondContact N-O 3.19Å; Y50-S112 PolarHBondContact O-N 3.11Å
51	L	98.3	Very high	96.1	Very high	0 Å²	0	58 Å²	58	0%	0	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	139.7	-170.1	-67.7	164	0	0	0	111	Y43 P49 K67 Y68 F85 F92 V110 L111	Y43-L51 HydrophobicContact CD1-CD1 3.53Å; Y43-L51 HydrophobicContact CD1-CD2 3.97Å; Y43-L51 HydrophobicContact CD1-CG 4.4Å; Y43-L51 HydrophobicContact CE1-CD1 3.46Å; Y43-L51 VanDerWaalsContact CE1-CD1 3.46Å; Y43-L51 HydrophobicContact CG-CD1 4.27Å; Y43-L51 HydrophobicContact CG-CD2 4.06Å; P49-L51 HydrophobicContact CB-CD1 4.35Å; P49-L51 HydrophobicContact CB-CG 4.26Å; P49-L51 HydrophobicContact CG-CD1 4.46Å; L51-K67 CarbonylContact O-C 3.52Å; L51-K67 VanDerWaalsContact O-CA 3.28Å; L51-K67 WeakPolarHBondContact O-CA 3.45Å; L51-Y68 PolarHBondContact N-O 2.94Å; L51-Y68 PolarHBondContact O-N 3.26Å; L51-F85 HydrophobicContact CD1-CD2 3.7Å; L51-F85 HydrophobicContact CD1-CE2 3.87Å; L51-F92 HydrophobicContact CB-CB 4.33Å; L51-F92 HydrophobicContact CB-CD1 3.57Å; L51-F92 HydrophobicContact CB-CE1 3.86Å; L51-F92 HydrophobicContact CB-CG 3.92Å; L51-F92 HydrophobicContact CB-CZ 4.47Å; L51-F92 HydrophobicContact CD1-CB 3.8Å; L51-F92 HydrophobicContact CD1-CG 4.12Å; L51-V110 WeakPolarHBondContact CA-O 3.45Å; L51-L111 HydrophobicContact CD2-CB 3.97Å; L51-L111 HydrophobicContact CD2-CD1 3.75Å; L51-L111 HydrophobicContact CD2-CG 4.45Å; L51-L111 HydrophobicContact CG-CD1 4.34Å
52	F	98.4	Very high	96	Very high	25 Å²	25	62.9 Å²	62.9	11%	0.11	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136	146.6	-174.8	-49	-99.4	0	0	0	109.8	Y50 Y54 L64 K67 Y69 C109 V110	Y50-F52 WeakPolarHBondContact O-CE2 3.25Å; F52-Y54 HydrophobicContact CB-CD2 3.99Å; F52-Y54 HydrophobicContact CB-CE2 3.73Å; F52-Y54 HydrophobicContact CD1-CE2 4.46Å; F52-Y54 HydrophobicContact CG-CE2 4.23Å; F52-L64 HydrophobicContact CB-CD1 4.26Å; F52-L64 HydrophobicContact CD1-CD1 4.02Å; F52-K67 HydrophobicContact CD1-CB 3.47Å; F52-K67 VanDerWaalsContact CD1-CB 3.47Å; F52-K67 HydrophobicContact CD1-CD 4.28Å; F52-K67 HydrophobicContact CE1-CB 3.85Å; F52-K67 HydrophobicContact CE1-CD 4.07Å; F52-K67 HydrophobicContact CG-CB 4.32Å; F52-Y69 AromaticContact CE1-CE1 3.95Å; F52-Y69 HydrophobicContact CE1-CE1 3.95Å; F52-Y69 AromaticContact CZ-CE1 3.76Å; F52-Y69 HydrophobicContact CZ-CE1 3.76Å; F52-C109 WeakPolarHBondContact O-CA 3.17Å; F52-V110 HydrophobicContact CB-CB 4.29Å; F52-V110 HydrophobicContact CD2-CB 4.47Å; F52-V110 PolarHBondContact N-O 3.14Å; F52-V110 PolarHBondContact O-N 3.22Å
53	W	98.6	Very high	96	Very high	0 Å²	0	62.7 Å²	62.7	0%	0	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	126.3	159.3	-82.4	97.3	0	0	0	109.1	L39 C41 L65 L66 F92 L94 F108 C109	L39-W53 HydrophobicContact CB-CH2 3.81Å; L39-W53 HydrophobicContact CB-CZ2 4.38Å; L39-W53 HydrophobicContact CB-CZ3 4.4Å; L39-W53 HydrophobicContact CD1-CZ3 4.41Å; C41-W53 HydrophobicContact CB-CH2 4.12Å; C41-W53 HydrophobicContact CB-CZ2 3.5Å; C41-W53 VanDerWaalsContact CB-CZ2 3.5Å; W53-L65 HydrophobicContact CB-CB 4.26Å; W53-L65 HydrophobicContact CB-CD2 4.34Å; W53-L65 WeakPolarHBondContact O-CA 3.33Å; W53-L65 VanDerWaalsContact O-CB 3.27Å; W53-L65 WeakPolarHBondContact O-CB 3.41Å; W53-L65 PolarHBondContact O-N 2.82Å; W53-L66 HydrophobicContact CB-CD1 3.97Å; W53-L66 HydrophobicContact CB-CG 4.21Å; W53-L66 HydrophobicContact CG-CD1 4.22Å; W53-L66 PolarHBondContact N-O 3.28Å; W53-L66 PolarHBondContact O-N 2.87Å; W53-F92 AromaticContact CD1-CD1 3.49Å; W53-F92 VanDerWaalsContact CD1-CD1 3.49Å; W53-F92 AromaticContact CD1-CE1 3.48Å; W53-F92 VanDerWaalsContact CD1-CE1 3.48Å; W53-F92 AromaticContact NE1-CD1 3.54Å; W53-F92 PolarHBondContact NE1-O 2.89Å; W53-L94 HydrophobicContact CB-CD1 4.27Å; W53-L94 HydrophobicContact CD2-CB 3.8Å; W53-L94 HydrophobicContact CD2-CD1 4.44Å; W53-L94 HydrophobicContact CD2-CD2 4.06Å; W53-L94 HydrophobicContact CD2-CG 4.33Å; W53-L94 VanDerWaalsContact CE2-CB 3.48Å; W53-L94 HydrophobicContact CE3-CB 4.38Å; W53-L94 HydrophobicContact CE3-CD2 4.08Å; W53-L94 HydrophobicContact CG-CB 4.14Å; W53-L94 HydrophobicContact CG-CD1 3.98Å; W53-L94 HydrophobicContact CG-CD2 4.31Å; W53-L94 HydrophobicContact CG-CG 4.39Å; W53-L94 HydrophobicContact CH2-CB 4.31Å; W53-L94 HydrophobicContact CZ2-CB 3.73Å; W53-F108 WeakPolarHBondContact CA-O 3.38Å; W53-C109 HydrophobicContact CD2-CB 4.23Å; W53-C109 HydrophobicContact CE3-CB 4.2Å; W53-C109 HydrophobicContact CH2-CB 3.83Å; W53-C109 HydrophobicContact CZ2-CB 3.83Å; W53-C109 HydrophobicContact CZ3-CB 4Å
54	Y	98.4	Very high	96	Very high	71 Å²	71	65.4 Å²	65.4	28%	0.278	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	149.4	169	-79.1	-98.1	0	0	0	109.7	F52 L62 Q63 L64 Y107 F108 V110	F52-Y54 HydrophobicContact CB-CD2 3.99Å; F52-Y54 HydrophobicContact CB-CE2 3.73Å; F52-Y54 HydrophobicContact CD1-CE2 4.46Å; F52-Y54 HydrophobicContact CG-CE2 4.23Å; Y54-L62 HydrophobicContact CD1-CB 3.96Å; Y54-Q63 CarbonylContact C-O 3.58Å; Y54-Q63 VanDerWaalsContact CA-O 3.25Å; Y54-Q63 WeakPolarHBondContact CA-O 3.37Å; Y54-Q63 VanDerWaalsContact CD1-C 3.44Å; Y54-Q63 WeakPolarHBondContact CD1-O 3.39Å; Y54-L64 HydrophobicContact CD1-CB 4.35Å; Y54-L64 HydrophobicContact CD2-CD1 4.33Å; Y54-L64 HydrophobicContact CE1-CB 3.9Å; Y54-L64 HydrophobicContact CE1-CD1 4.35Å; Y54-L64 HydrophobicContact CE2-CD1 3.87Å; Y54-Y107 CarbonylContact O-C 3.53Å; Y54-Y107 WeakPolarHBondContact O-CA 3.43Å; Y54-F108 PolarHBondContact N-O 2.91Å; Y54-F108 PolarHBondContact O-N 2.7Å; Y54-V110 HydrophobicContact CD2-CG2 4.08Å
55	V	98.4	Very high	96.1	Very high	4 Å²	4	62.7 Å²	62.7	2%	0.024	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	140.7	172.8	63.1	0	0	0	0	109.4	Y57 Q63 L65 A105 V106 Y107	V55-Y57 HydrophobicContact CG1-CE2 3.84Å; V55-Y57 HydrophobicContact CG2-CD2 4.41Å; V55-Y57 HydrophobicContact CG2-CE1 4.24Å; V55-Y57 HydrophobicContact CG2-CE2 3.97Å; V55-Q63 HydrophobicContact CG1-CB 4.05Å; V55-Q63 PolarHBondContact N-O 2.95Å; V55-Q63 PolarHBondContact O-N 3.15Å; V55-L65 HydrophobicContact CG1-CD1 4.09Å; V55-A105 HydrophobicContact CG2-CB 3.47Å; V55-A105 VanDerWaalsContact CG2-CB 3.47Å; V55-V106 CarbonylContact C-O 3.51Å; V55-V106 WeakPolarHBondContact CA-O 3.41Å; V55-Y107 HydrophobicContact CB-CD1 4.04Å; V55-Y107 HydrophobicContact CB-CE1 3.95Å; V55-Y107 HydrophobicContact CG2-CD1 3.97Å; V55-Y107 HydrophobicContact CG2-CE1 3.61Å; V55-Y107 HydrophobicContact CG2-CE2 4.38Å
56	Q	98.4	Very high	96.3	Very high	72 Å²	72	61.7 Å²	61.7	34%	0.336	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	106.2	173.6	-169.6	178.1	21.7	0	0	109.8	Q60 L62 V106 F108	Q56-Q60 WeakPolarHBondContact CG-O 3.22Å; Q56-Q60 PolarHBondContact NE2-O 2.9Å; Q56-L62 HydrophobicContact CB-CD2 4.02Å; Q56-V106 HydrophobicContact CB-CB 4.45Å; Q56-V106 PolarHBondContact N-O 2.81Å; Q56-V106 PolarHBondContact O-N 2.99Å; Q56-F108 HydrophobicContact CB-CE2 3.94Å
57	Y	97.4	Very high	96.8	Very high	39 Å²	39	62.6 Å²	62.6	15%	0.153	32%	0.319	C	S	.	.			trans	-76.6	157.1	171.5	-63.6	-75.5	0	0	0	111.1	V55 R59 Q60 S102 A105	V55-Y57 HydrophobicContact CG1-CE2 3.84Å; V55-Y57 HydrophobicContact CG2-CD2 4.41Å; V55-Y57 HydrophobicContact CG2-CE1 4.24Å; V55-Y57 HydrophobicContact CG2-CE2 3.97Å; Y57-R59 PolarHBondContact O-N 3.06Å; Y57-Q60 PolarHBondContact O-N 3.1Å; Y57-S102 WeakPolarHBondContact CE1-O 3.25Å; Y57-A105 HydrophobicContact CD1-CB 3.67Å; Y57-A105 HydrophobicContact CE1-CB 3.82Å; Y57-A105 HydrophobicContact CG-CB 4.35Å
58	P	97.1	Very high	97.3	Very high	86 Å²	86	61.7 Å²	61.7	56%	0.558	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.6	125.9	178	-27.7	35.3	0	0	0	112.4	Q60	P58-Q60 PolarHBondContact O-N 3.12Å
59	R	96.1	Very high	97.5	Very high	247 Å²	247	61.1 Å²	61.1	93%	0.932	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	61.4	20.1	-179.3	-55.3	-179.8	-68.7	-87.6	-0.7	115.1	Y57	Y57-R59 PolarHBondContact O-N 3.06Å
60	Q	96.6	Very high	97.6	Very high	99 Å²	99	65.3 Å²	65.3	46%	0.463	32%	0.318	S	S	.	.			trans	-113.8	161.6	174.3	-59.1	-175.5	28	0	0	111	Q56 Y57 P58	Q56-Q60 WeakPolarHBondContact CG-O 3.22Å; Q56-Q60 PolarHBondContact NE2-O 2.9Å; Y57-Q60 PolarHBondContact O-N 3.1Å; P58-Q60 PolarHBondContact O-N 3.12Å
61	G	96.8	Very high	97.5	Very high	51 Å²	51	63.1 Å²	63.1	53%	0.526	33%	0.327	S	S	.	.			trans	-72.5	170.7	170.5	0	0	0	0	0	112.3	Q63	G61-Q63 PolarHBondContact O-N 3.01Å
62	L	97.4	Very high	97.4	Very high	102 Å²	102	68.5 Å²	68.5	53%	0.534	36%	0.356	S	S	.	.			trans	-63.9	130.6	171.7	-73.8	167.9	0	0	0	110.3	Y54 Q56 F108	Y54-L62 HydrophobicContact CD1-CB 3.96Å; Q56-L62 HydrophobicContact CB-CD2 4.02Å; L62-F108 HydrophobicContact CD2-CD2 3.45Å; L62-F108 VanDerWaalsContact CD2-CD2 3.45Å; L62-F108 HydrophobicContact CD2-CE2 3.72Å; L62-F108 HydrophobicContact CD2-CG 4.32Å
63	Q	97.8	Very high	97.3	Very high	80 Å²	80	69.9 Å²	69.9	37%	0.374	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	134.1	177	-66.3	171.3	45.9	0	0	109.2	Y54 V55 G61 L65	Y54-Q63 CarbonylContact C-O 3.58Å; Y54-Q63 VanDerWaalsContact CA-O 3.25Å; Y54-Q63 WeakPolarHBondContact CA-O 3.37Å; Y54-Q63 VanDerWaalsContact CD1-C 3.44Å; Y54-Q63 WeakPolarHBondContact CD1-O 3.39Å; V55-Q63 HydrophobicContact CG1-CB 4.05Å; V55-Q63 PolarHBondContact N-O 2.95Å; V55-Q63 PolarHBondContact O-N 3.15Å; G61-Q63 PolarHBondContact O-N 3.01Å; Q63-L65 PolarHBondContact O-N 2.79Å
64	L	97.7	Very high	97.3	Very high	75 Å²	75	72.6 Å²	72.6	39%	0.393	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.7	124.7	176.1	177.8	67.8	0	0	0	109.4	F52 Y54 K67	F52-L64 HydrophobicContact CB-CD1 4.26Å; F52-L64 HydrophobicContact CD1-CD1 4.02Å; Y54-L64 HydrophobicContact CD1-CB 4.35Å; Y54-L64 HydrophobicContact CD2-CD1 4.33Å; Y54-L64 HydrophobicContact CE1-CB 3.9Å; Y54-L64 HydrophobicContact CE1-CD1 4.35Å; Y54-L64 HydrophobicContact CE2-CD1 3.87Å; L64-K67 HydrophobicContact CD1-CB 4.39Å; L64-K67 HydrophobicContact CD2-CD 3.96Å
65	L	97.8	Very high	97.3	Very high	7 Å²	7	70.5 Å²	70.5	4%	0.037	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	-49.9	178.4	-168	76.1	0	0	0	111.5	W53 V55 Q63 V78 F81 L94 Y107	W53-L65 HydrophobicContact CB-CB 4.26Å; W53-L65 HydrophobicContact CB-CD2 4.34Å; W53-L65 WeakPolarHBondContact O-CA 3.33Å; W53-L65 VanDerWaalsContact O-CB 3.27Å; W53-L65 WeakPolarHBondContact O-CB 3.41Å; W53-L65 PolarHBondContact O-N 2.82Å; V55-L65 HydrophobicContact CG1-CD1 4.09Å; Q63-L65 PolarHBondContact O-N 2.79Å; L65-V78 HydrophobicContact CD1-CG2 3.44Å; L65-V78 VanDerWaalsContact CD1-CG2 3.44Å; L65-V78 HydrophobicContact CG-CG2 4.32Å; L65-F81 HydrophobicContact CD1-CD2 3.96Å; L65-F81 HydrophobicContact CD1-CE2 4.49Å; L65-F81 HydrophobicContact CD1-CG 4.37Å; L65-F81 HydrophobicContact CD2-CB 3.97Å; L65-F81 HydrophobicContact CD2-CD1 4.06Å; L65-F81 HydrophobicContact CD2-CD2 4.13Å; L65-F81 HydrophobicContact CD2-CG 3.79Å; L65-F81 HydrophobicContact CG-CB 4.29Å; L65-F81 HydrophobicContact CG-CD2 4.46Å; L65-F81 HydrophobicContact CG-CG 4.39Å; L65-L94 HydrophobicContact CD2-CD1 3.73Å; L65-L94 HydrophobicContact CD2-CD2 3.59Å; L65-L94 HydrophobicContact CD2-CG 4.3Å; L65-Y107 HydrophobicContact CD2-CD1 4.18Å; L65-Y107 HydrophobicContact CD2-CE1 4.01Å
66	L	98.3	Very high	97.2	Very high	8 Å²	8	76 Å²	76	4%	0.042	40%	0.403	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-163.6	166.3	176.2	55.7	77.4	0	0	0	111.4	W53 V75 F81 A83 F92 L94	W53-L66 HydrophobicContact CB-CD1 3.97Å; W53-L66 HydrophobicContact CB-CG 4.21Å; W53-L66 HydrophobicContact CG-CD1 4.22Å; W53-L66 PolarHBondContact N-O 3.28Å; W53-L66 PolarHBondContact O-N 2.87Å; L66-V75 HydrophobicContact CB-CG1 4.15Å; L66-F81 HydrophobicContact CD2-CB 4.5Å; L66-A83 HydrophobicContact CD1-CB 3.58Å; L66-A83 HydrophobicContact CD2-CB 4.02Å; L66-A83 HydrophobicContact CG-CB 4.48Å; L66-F92 HydrophobicContact CD1-CE1 3.64Å; L66-F92 HydrophobicContact CD1-CZ 3.52Å; L66-L94 HydrophobicContact CD1-CD1 4.49Å; L66-L94 HydrophobicContact CD2-CD1 3.68Å; L66-L94 HydrophobicContact CG-CD1 4.19Å
67	K	97.8	Very high	97	Very high	86 Å²	86	73.7 Å²	73.7	37%	0.374	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.3	147.6	-176.9	60.9	-177.1	-179.3	174	0	113.6	L51 F52 L64 Y69 V75	L51-K67 CarbonylContact O-C 3.52Å; L51-K67 VanDerWaalsContact O-CA 3.28Å; L51-K67 WeakPolarHBondContact O-CA 3.45Å; F52-K67 HydrophobicContact CD1-CB 3.47Å; F52-K67 VanDerWaalsContact CD1-CB 3.47Å; F52-K67 HydrophobicContact CD1-CD 4.28Å; F52-K67 HydrophobicContact CE1-CB 3.85Å; F52-K67 HydrophobicContact CE1-CD 4.07Å; F52-K67 HydrophobicContact CG-CB 4.32Å; L64-K67 HydrophobicContact CD1-CB 4.39Å; L64-K67 HydrophobicContact CD2-CD 3.96Å; K67-Y69 HydrophobicContact CD-CD2 4.44Å; K67-Y69 HydrophobicContact CD-CE2 3.46Å; K67-Y69 VanDerWaalsContact CD-CE2 3.46Å; K67-Y69 WeakPolarHBondContact CD-OH 3.03Å; K67-Y69 VanDerWaalsContact CE-CE2 3.45Å; K67-Y69 HydrophobicContact CG-CE2 4.06Å; K67-Y69 PolarHBondContact NZ-OH 3Å; K67-V75 WeakPolarHBondContact O-CG1 3.46Å
68	Y	98.3	Very high	96.8	Very high	25 Å²	25	75.5 Å²	75.5	10%	0.098	42%	0.415	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	129.3	173.7	179	-95.9	0	0	0	110.5	L51 G71 D72 V75 F85	L51-Y68 PolarHBondContact N-O 2.94Å; L51-Y68 PolarHBondContact O-N 3.26Å; Y68-G71 PolarHBondContact OH-O 3.11Å; Y68-D72 VanDerWaalsContact CE2-O 3.28Å; Y68-D72 WeakPolarHBondContact CE2-O 3.41Å; Y68-V75 HydrophobicContact CD2-CG2 3.81Å; Y68-V75 HydrophobicContact CG-CG2 4.39Å; Y68-F85 HydrophobicContact CD1-CB 3.9Å; Y68-F85 HydrophobicContact CD1-CD1 4.01Å; Y68-F85 AromaticContact CD1-CD2 3.73Å; Y68-F85 HydrophobicContact CD1-CD2 3.73Å; Y68-F85 HydrophobicContact CD1-CE1 4.47Å; Y68-F85 HydrophobicContact CD1-CE2 4.21Å; Y68-F85 AromaticContact CD1-CG 3.59Å; Y68-F85 HydrophobicContact CD1-CG 3.59Å; Y68-F85 HydrophobicContact CD2-CB 3.94Å; Y68-F85 HydrophobicContact CD2-CG 4.38Å; Y68-F85 HydrophobicContact CE1-CB 4Å; Y68-F85 AromaticContact CE1-CD1 3.27Å; Y68-F85 HydrophobicContact CE1-CD1 3.27Å; Y68-F85 AromaticContact CE1-CD2 3.75Å; Y68-F85 HydrophobicContact CE1-CD2 3.75Å; Y68-F85 AromaticContact CE1-CE1 3.53Å; Y68-F85 HydrophobicContact CE1-CE1 3.53Å; Y68-F85 AromaticContact CE1-CE2 3.97Å; Y68-F85 HydrophobicContact CE1-CE2 3.97Å; Y68-F85 AromaticContact CE1-CG 3.37Å; Y68-F85 HydrophobicContact CE1-CG 3.37Å; Y68-F85 AromaticContact CE1-CZ 3.87Å; Y68-F85 HydrophobicContact CE1-CZ 3.87Å; Y68-F85 HydrophobicContact CE2-CB 4.04Å; Y68-F85 HydrophobicContact CE2-CD1 4.06Å; Y68-F85 HydrophobicContact CE2-CG 4.2Å; Y68-F85 HydrophobicContact CG-CB 3.87Å; Y68-F85 HydrophobicContact CG-CD2 4.48Å; Y68-F85 HydrophobicContact CG-CG 4.1Å; Y68-F85 AromaticContact CZ-CD1 3.29Å; Y68-F85 AromaticContact CZ-CE1 3.79Å; Y68-F85 AromaticContact CZ-CG 3.7Å; Y68-F85 WeakPolarHBondContact OH-CD1 3.46Å
69	Y	96.9	Very high	96.6	Very high	95 Å²	95	76.7 Å²	76.7	37%	0.373	42%	0.416	S	S	.	.	S	Bend	trans	-115.8	-46.9	171.9	-61.7	-67.4	0	0	0	112	Y50 F52 K67	Y50-Y69 AromaticContact CD1-CD1 3.7Å; Y50-Y69 HydrophobicContact CD1-CD1 3.7Å; Y50-Y69 HydrophobicContact CD1-CG 4.44Å; Y50-Y69 HydrophobicContact CD2-CD1 4.08Å; Y50-Y69 HydrophobicContact CD2-CE1 4.37Å; Y50-Y69 HydrophobicContact CE1-CD1 4.15Å; Y50-Y69 AromaticContact CG-CD1 3.65Å; Y50-Y69 HydrophobicContact CG-CD1 3.65Å; Y50-Y69 HydrophobicContact CG-CE1 4.22Å; F52-Y69 AromaticContact CE1-CE1 3.95Å; F52-Y69 HydrophobicContact CE1-CE1 3.95Å; F52-Y69 AromaticContact CZ-CE1 3.76Å; F52-Y69 HydrophobicContact CZ-CE1 3.76Å; K67-Y69 HydrophobicContact CD-CD2 4.44Å; K67-Y69 HydrophobicContact CD-CE2 3.46Å; K67-Y69 VanDerWaalsContact CD-CE2 3.46Å; K67-Y69 WeakPolarHBondContact CD-OH 3.03Å; K67-Y69 VanDerWaalsContact CE-CE2 3.45Å; K67-Y69 HydrophobicContact CG-CE2 4.06Å; K67-Y69 PolarHBondContact NZ-OH 3Å
70	S	95.5	Very high	96.6	Very high	97 Å²	97	67.3 Å²	67.3	68%	0.678	40%	0.397	S	S	*	.	S	Bend	trans	-170.5	171.1	178.6	60.5	0	0	0	0	109.3
71	G	95.6	Very high	96.7	Very high	57 Å²	57	62.6 Å²	62.6	59%	0.588	38%	0.375	S	S	*	.	S	Bend	trans	92.1	-138.2	176.4	0	0	0	0	0	112.7	Y68	Y68-G71 PolarHBondContact OH-O 3.11Å
72	D	96.4	Very high	96.8	Very high	112 Å²	112	63.4 Å²	63.4	60%	0.599	37%	0.365	S	S	*	.			trans	-54.9	121.6	-177.1	-166.9	-28.4	0	0	0	110.7	Y68 V74	Y68-D72 VanDerWaalsContact CE2-O 3.28Å; Y68-D72 WeakPolarHBondContact CE2-O 3.41Å; D72-V74 PolarHBondContact O-N 3.28Å; D72-V74 PolarHBondContact OD1-N 3.11Å
73	P	96.4	Very high	96.8	Very high	55 Å²	55	58.6 Å²	58.6	36%	0.357	34%	0.34	S	S	.	.	S	Bend	trans	-64	-26.2	179.4	26.5	-35.2	0	0	0	112.8	E84 F85	P73-E84 CarbonylContact O-C 3.57Å; P73-E84 WeakPolarHBondContact O-CA 3.39Å; P73-F85 HydrophobicContact CB-CB 4.38Å; P73-F85 WeakPolarHBondContact CB-O 3.37Å; P73-F85 PolarHBondContact O-N 3.37Å
74	V	97.8	Very high	96.8	Very high	57 Å²	57	59.3 Å²	59.3	35%	0.345	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	111.9	179.4	-176	0	0	0	0	109.5	D72 E84	D72-V74 PolarHBondContact O-N 3.28Å; D72-V74 PolarHBondContact OD1-N 3.11Å; V74-E84 HydrophobicContact CG2-CB 4.49Å; V74-E84 HydrophobicContact CG2-CG 4.13Å
75	V	97.9	Very high	96.9	Very high	26 Å²	26	57 Å²	57	16%	0.158	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	125.7	179.8	-174.9	0	0	0	0	109.8	L66 K67 Y68 E82 A83 F92	L66-V75 HydrophobicContact CB-CG1 4.15Å; K67-V75 WeakPolarHBondContact O-CG1 3.46Å; Y68-V75 HydrophobicContact CD2-CG2 3.81Å; Y68-V75 HydrophobicContact CG-CG2 4.39Å; V75-E82 CarbonylContact O-C 3.52Å; V75-E82 WeakPolarHBondContact O-CA 3.47Å; V75-A83 PolarHBondContact N-O 2.83Å; V75-A83 PolarHBondContact O-N 2.92Å; V75-F92 HydrophobicContact CG2-CE2 4.49Å
76	Q	97.6	Very high	96.9	Very high	119 Å²	119	57.5 Å²	57.5	56%	0.556	33%	0.334	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-86.3	135.1	171.5	-62.2	-62.1	-30.7	0	0	110.6	E82	Q76-E82 PolarHBondContact NE2-OE2 2.91Å
77	G	94.3	Very high	96.7	Very high	25 Å²	25	65 Å²	65	26%	0.258	37%	0.366	S	S	.	.			trans	-112.2	-169.7	176	0	0	0	0	0	112.6	F81	G77-F81 WeakPolarHBondContact CA-O 3.42Å; G77-F81 PolarHBondContact N-O 2.83Å
78	V	91.9	Very high	96.6	Very high	77 Å²	77	66 Å²	66	47%	0.467	38%	0.384	S	S	.	.	G	3₁₀ helix	trans	-71.7	153.4	175	-61.9	0	0	0	0	111.4	L65 G80 F81	L65-V78 HydrophobicContact CD1-CG2 3.44Å; L65-V78 VanDerWaalsContact CD1-CG2 3.44Å; L65-V78 HydrophobicContact CG-CG2 4.32Å; V78-G80 VanDerWaalsContact C-N 3.26Å; V78-G80 PolarHBondContact O-N 3.42Å; V78-F81 WeakPolarHBondContact O-CD2 3.44Å; V78-F81 PolarHBondContact O-N 2.94Å
79	N	93.8	Very high	96.6	Very high	110 Å²	110	69.5 Å²	69.5	59%	0.588	40%	0.404	S	S	*	.	G	3₁₀ helix	trans	56.1	33.1	172.8	-57.1	-22.9	0	0	0	115.2	F81 K96	N79-F81 VanDerWaalsContact C-N 3.26Å; N79-F81 HydrophobicContact CB-CD2 4.43Å; N79-F81 PolarHBondContact O-N 2.98Å; N79-K96 WeakPolarHBondContact O-CE 3.34Å; N79-K96 PolarHBondContact O-NZ 3.28Å
80	G	96.3	Very high	96.6	Very high	51 Å²	51	67.2 Å²	67.2	53%	0.526	40%	0.402	S	S	.	.	G	3₁₀ helix	trans	71.9	18	176.4	0	0	0	0	0	114.3	V78	V78-G80 VanDerWaalsContact C-N 3.26Å; V78-G80 PolarHBondContact O-N 3.42Å
81	F	98.4	Very high	96.7	Very high	0 Å²	0	62.9 Å²	62.9	0%	0	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	143	165.6	-79.8	-79.9	0	0	0	110.3	L37 L65 L66 G77 V78 N79 L94 R95 K96 D103 Y107	L37-F81 HydrophobicContact CD2-CE1 4.32Å; L65-F81 HydrophobicContact CD1-CD2 3.96Å; L65-F81 HydrophobicContact CD1-CE2 4.49Å; L65-F81 HydrophobicContact CD1-CG 4.37Å; L65-F81 HydrophobicContact CD2-CB 3.97Å; L65-F81 HydrophobicContact CD2-CD1 4.06Å; L65-F81 HydrophobicContact CD2-CD2 4.13Å; L65-F81 HydrophobicContact CD2-CG 3.79Å; L65-F81 HydrophobicContact CG-CB 4.29Å; L65-F81 HydrophobicContact CG-CD2 4.46Å; L65-F81 HydrophobicContact CG-CG 4.39Å; L66-F81 HydrophobicContact CD2-CB 4.5Å; G77-F81 WeakPolarHBondContact CA-O 3.42Å; G77-F81 PolarHBondContact N-O 2.83Å; V78-F81 WeakPolarHBondContact O-CD2 3.44Å; V78-F81 PolarHBondContact O-N 2.94Å; N79-F81 VanDerWaalsContact C-N 3.26Å; N79-F81 HydrophobicContact CB-CD2 4.43Å; N79-F81 PolarHBondContact O-N 2.98Å; F81-L94 HydrophobicContact CB-CD1 4.12Å; F81-L94 HydrophobicContact CD1-CD1 3.97Å; F81-L94 HydrophobicContact CD1-CD2 3.74Å; F81-L94 HydrophobicContact CD1-CG 3.76Å; F81-L94 HydrophobicContact CE1-CD2 3.96Å; F81-L94 HydrophobicContact CE1-CG 4.35Å; F81-L94 HydrophobicContact CG-CD1 4.43Å; F81-R95 WeakPolarHBondContact CA-O 3.38Å; F81-K96 HydrophobicContact CD1-CB 3.81Å; F81-K96 HydrophobicContact CD1-CD 4.11Å; F81-K96 HydrophobicContact CD1-CG 4.48Å; F81-K96 HydrophobicContact CD2-CD 3.96Å; F81-K96 HydrophobicContact CE1-CB 3.77Å; F81-K96 HydrophobicContact CE1-CD 3.78Å; F81-K96 HydrophobicContact CE1-CG 4.4Å; F81-K96 HydrophobicContact CE2-CD 3.6Å; F81-K96 HydrophobicContact CG-CB 4.45Å; F81-K96 HydrophobicContact CG-CD 4.19Å; F81-K96 HydrophobicContact CZ-CB 4.37Å; F81-K96 HydrophobicContact CZ-CD 3.5Å; F81-K96 VanDerWaalsContact CZ-CD 3.5Å; F81-D103 HydrophobicContact CZ-CB 4.27Å; F81-Y107 HydrophobicContact CE1-CE1 4.06Å; F81-Y107 HydrophobicContact CE2-CE1 4.44Å; F81-Y107 AromaticContact CZ-CE1 3.88Å; F81-Y107 HydrophobicContact CZ-CE1 3.88Å; F81-Y107 AromaticContact CZ-CZ 3.81Å; F81-Y107 WeakPolarHBondContact CZ-OH 3.34Å
82	E	98.5	Very high	96.8	Very high	68 Å²	68	60.2 Å²	60.2	32%	0.318	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	157.9	173.1	66.3	-178.9	-168	0	0	110.5	V75 Q76 L94 R95	V75-E82 CarbonylContact O-C 3.52Å; V75-E82 WeakPolarHBondContact O-CA 3.47Å; Q76-E82 PolarHBondContact NE2-OE2 2.91Å; E82-L94 CarbonylContact O-C 3.58Å; E82-L94 WeakPolarHBondContact O-CA 3.47Å; E82-R95 HydrophobicContact CG-CB 3.99Å; E82-R95 PolarHBondContact N-O 2.95Å; E82-R95 PolarHBondContact O-N 2.81Å
83	A	98.5	Very high	97	Very high	1 Å²	1	56.6 Å²	56.6	1%	0.008	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	142.7	170.2	0	0	0	0	0	111.3	L66 V75 F92 H93 L94	L66-A83 HydrophobicContact CD1-CB 3.58Å; L66-A83 HydrophobicContact CD2-CB 4.02Å; L66-A83 HydrophobicContact CG-CB 4.48Å; V75-A83 PolarHBondContact N-O 2.83Å; V75-A83 PolarHBondContact O-N 2.92Å; A83-F92 HydrophobicContact CB-CD1 4.4Å; A83-F92 HydrophobicContact CB-CD2 3.96Å; A83-F92 HydrophobicContact CB-CE1 4.07Å; A83-F92 HydrophobicContact CB-CE2 3.58Å; A83-F92 HydrophobicContact CB-CG 4.36Å; A83-F92 HydrophobicContact CB-CZ 3.65Å; A83-H93 VanDerWaalsContact CA-O 3.25Å; A83-H93 WeakPolarHBondContact CA-O 3.49Å; A83-H93 WeakPolarHBondContact CB-O 3.25Å; A83-L94 HydrophobicContact CB-CD1 4.37Å
84	E	97.9	Very high	97.1	Very high	95 Å²	95	54 Å²	54	44%	0.444	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	119.3	178.6	-173.7	-176.5	176.4	0	0	110.4	P73 V74 F92 H93	P73-E84 CarbonylContact O-C 3.57Å; P73-E84 WeakPolarHBondContact O-CA 3.39Å; V74-E84 HydrophobicContact CG2-CB 4.49Å; V74-E84 HydrophobicContact CG2-CG 4.13Å; E84-F92 WeakPolarHBondContact O-CA 3.43Å; E84-H93 PolarHBondContact N-O 3.33Å
85	F	98.2	Very high	97.1	Very high	26 Å²	26	56.2 Å²	56.2	11%	0.114	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	121.5	170.5	172.7	-109.4	0	0	0	110.7	Y43 P49 L51 Y68 P73 K87 F92	Y43-F85 HydrophobicContact CE1-CD2 4.47Å; Y43-F85 HydrophobicContact CE1-CE2 4.05Å; Y43-F85 AromaticContact CZ-CE2 3.9Å; Y43-F85 WeakPolarHBondContact OH-CE2 3.18Å; P49-F85 HydrophobicContact CG-CE2 3.78Å; P49-F85 HydrophobicContact CG-CZ 4.08Å; L51-F85 HydrophobicContact CD1-CD2 3.7Å; L51-F85 HydrophobicContact CD1-CE2 3.87Å; Y68-F85 HydrophobicContact CD1-CB 3.9Å; Y68-F85 HydrophobicContact CD1-CD1 4.01Å; Y68-F85 AromaticContact CD1-CD2 3.73Å; Y68-F85 HydrophobicContact CD1-CD2 3.73Å; Y68-F85 HydrophobicContact CD1-CE1 4.47Å; Y68-F85 HydrophobicContact CD1-CE2 4.21Å; Y68-F85 AromaticContact CD1-CG 3.59Å; Y68-F85 HydrophobicContact CD1-CG 3.59Å; Y68-F85 HydrophobicContact CD2-CB 3.94Å; Y68-F85 HydrophobicContact CD2-CG 4.38Å; Y68-F85 HydrophobicContact CE1-CB 4Å; Y68-F85 AromaticContact CE1-CD1 3.27Å; Y68-F85 HydrophobicContact CE1-CD1 3.27Å; Y68-F85 AromaticContact CE1-CD2 3.75Å; Y68-F85 HydrophobicContact CE1-CD2 3.75Å; Y68-F85 AromaticContact CE1-CE1 3.53Å; Y68-F85 HydrophobicContact CE1-CE1 3.53Å; Y68-F85 AromaticContact CE1-CE2 3.97Å; Y68-F85 HydrophobicContact CE1-CE2 3.97Å; Y68-F85 AromaticContact CE1-CG 3.37Å; Y68-F85 HydrophobicContact CE1-CG 3.37Å; Y68-F85 AromaticContact CE1-CZ 3.87Å; Y68-F85 HydrophobicContact CE1-CZ 3.87Å; Y68-F85 HydrophobicContact CE2-CB 4.04Å; Y68-F85 HydrophobicContact CE2-CD1 4.06Å; Y68-F85 HydrophobicContact CE2-CG 4.2Å; Y68-F85 HydrophobicContact CG-CB 3.87Å; Y68-F85 HydrophobicContact CG-CD2 4.48Å; Y68-F85 HydrophobicContact CG-CG 4.1Å; Y68-F85 AromaticContact CZ-CD1 3.29Å; Y68-F85 AromaticContact CZ-CE1 3.79Å; Y68-F85 AromaticContact CZ-CG 3.7Å; Y68-F85 WeakPolarHBondContact OH-CD1 3.46Å; P73-F85 HydrophobicContact CB-CB 4.38Å; P73-F85 WeakPolarHBondContact CB-O 3.37Å; P73-F85 PolarHBondContact O-N 3.37Å; F85-K87 HydrophobicContact CE1-CB 4.03Å; F85-K87 HydrophobicContact CZ-CB 3.9Å; F85-F92 HydrophobicContact CB-CD2 4.08Å; F85-F92 HydrophobicContact CB-CE2 4.27Å
86	S	97.6	Very high	97.1	Very high	17 Å²	17	56.1 Å²	56.1	12%	0.119	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	111.1	172.8	-175.7	0	0	0	0	110.3	S88 N89 S90 S91	S86-S88 PolarHBondContact OG-OG 2.79Å; S86-N89 WeakPolarHBondContact OG-CB 3.31Å; S86-N89 PolarHBondContact OG-N 3.4Å; S86-N89 PolarHBondContact OG-ND2 2.02Å; S86-N89 VanDerWaalsContact OG-ND2 3.11Å; S86-S90 WeakPolarHBondContact O-CA 3.44Å; S86-S90 PolarHBondContact O-N 2.85Å; S86-S90 VanDerWaalsContact O-N 3.11Å; S86-S91 WeakPolarHBondContact CB-OG 3.41Å; S86-S91 PolarHBondContact N-O 3.47Å; S86-S91 PolarHBondContact O-N 2.84Å
87	K	95.3	Very high	97.1	Very high	165 Å²	165	54.6 Å²	54.6	72%	0.717	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.3	-40.4	174.1	-171.5	175.2	-178.8	176.6	0	112.1	F85 N89 S90	F85-K87 HydrophobicContact CE1-CB 4.03Å; F85-K87 HydrophobicContact CZ-CB 3.9Å; K87-N89 VanDerWaalsContact C-N 3.31Å; K87-N89 PolarHBondContact O-N 2.83Å; K87-S90 PolarHBondContact O-N 3.38Å
88	S	95.5	Very high	97.3	Very high	108 Å²	108	56.6 Å²	56.6	76%	0.755	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.1	-36.6	-179.6	51.7	0	0	0	0	112.5	S86	S86-S88 PolarHBondContact OG-OG 2.79Å
89	N	97.3	Very high	97.6	Very high	98 Å²	98	53.4 Å²	53.4	52%	0.524	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.8	1.1	179.5	-65.1	-53.7	0	0	0	113.5	K42 S86 K87 S91	K42-N89 PolarHBondContact NZ-O 2.93Å; S86-N89 WeakPolarHBondContact OG-CB 3.31Å; S86-N89 PolarHBondContact OG-N 3.4Å; S86-N89 PolarHBondContact OG-ND2 2.02Å; S86-N89 VanDerWaalsContact OG-ND2 3.11Å; K87-N89 VanDerWaalsContact C-N 3.31Å; K87-N89 PolarHBondContact O-N 2.83Å; N89-S91 VanDerWaalsContact C-N 3.28Å; N89-S91 PolarHBondContact O-N 2.92Å
90	S	97.3	Very high	97.8	Very high	47 Å²	47	52.3 Å²	52.3	33%	0.329	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	40.8	54.8	-169.3	-51.2	0	0	0	0	112.6	K42 Y43 S86 K87	K42-S90 CarbonylContact C-O 3.54Å; K42-S90 VanDerWaalsContact CA-O 3.31Å; K42-S90 WeakPolarHBondContact CA-O 3.21Å; K42-S90 WeakPolarHBondContact CD-O 3.24Å; Y43-S90 VanDerWaalsContact CD1-C 3.43Å; Y43-S90 WeakPolarHBondContact CD1-O 3.34Å; Y43-S90 PolarHBondContact N-O 2.82Å; Y43-S90 WeakPolarHBondContact O-CB 3.31Å; S86-S90 WeakPolarHBondContact O-CA 3.44Å; S86-S90 PolarHBondContact O-N 2.85Å; S86-S90 VanDerWaalsContact O-N 3.11Å; K87-S90 PolarHBondContact O-N 3.38Å
91	S	98.4	Very high	97.8	Very high	7 Å²	7	58.5 Å²	58.5	5%	0.049	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	155.4	-174	59.9	0	0	0	0	114	C41 S86 N89 H93	C41-S91 WeakPolarHBondContact O-CA 3.15Å; C41-S91 WeakPolarHBondContact O-CB 2.99Å; S86-S91 WeakPolarHBondContact CB-OG 3.41Å; S86-S91 PolarHBondContact N-O 3.47Å; S86-S91 PolarHBondContact O-N 2.84Å; N89-S91 VanDerWaalsContact C-N 3.28Å; N89-S91 PolarHBondContact O-N 2.92Å; S91-H93 VanDerWaalsContact CB-CE1 3.47Å; S91-H93 WeakPolarHBondContact CB-CE1 3.44Å
92	F	98.6	Very high	97.7	Very high	0 Å²	0	61 Å²	61	0%	0	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.1	69.4	173.2	-169.2	-127.9	0	0	0	110.3	C41 L51 W53 L66 V75 A83 E84 F85	C41-F92 WeakPolarHBondContact CB-O 3.29Å; C41-F92 PolarHBondContact O-N 2.95Å; C41-F92 VanDerWaalsContact O-N 3.12Å; L51-F92 HydrophobicContact CB-CB 4.33Å; L51-F92 HydrophobicContact CB-CD1 3.57Å; L51-F92 HydrophobicContact CB-CE1 3.86Å; L51-F92 HydrophobicContact CB-CG 3.92Å; L51-F92 HydrophobicContact CB-CZ 4.47Å; L51-F92 HydrophobicContact CD1-CB 3.8Å; L51-F92 HydrophobicContact CD1-CG 4.12Å; W53-F92 AromaticContact CD1-CD1 3.49Å; W53-F92 VanDerWaalsContact CD1-CD1 3.49Å; W53-F92 AromaticContact CD1-CE1 3.48Å; W53-F92 VanDerWaalsContact CD1-CE1 3.48Å; W53-F92 AromaticContact NE1-CD1 3.54Å; W53-F92 PolarHBondContact NE1-O 2.89Å; L66-F92 HydrophobicContact CD1-CE1 3.64Å; L66-F92 HydrophobicContact CD1-CZ 3.52Å; V75-F92 HydrophobicContact CG2-CE2 4.49Å; A83-F92 HydrophobicContact CB-CD1 4.4Å; A83-F92 HydrophobicContact CB-CD2 3.96Å; A83-F92 HydrophobicContact CB-CE1 4.07Å; A83-F92 HydrophobicContact CB-CE2 3.58Å; A83-F92 HydrophobicContact CB-CG 4.36Å; A83-F92 HydrophobicContact CB-CZ 3.65Å; E84-F92 WeakPolarHBondContact O-CA 3.43Å; F85-F92 HydrophobicContact CB-CD2 4.08Å; F85-F92 HydrophobicContact CB-CE2 4.27Å
93	H	98.6	Very high	97.7	Very high	36 Å²	36	58.4 Å²	58.4	17%	0.167	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	130	-173	-61.8	-16.1	0	0	0	110.6	Q38 L39 C41 A83 E84 S91	Q38-H93 HydrophobicContact CG-CB 4.34Å; L39-H93 WeakPolarHBondContact O-CA 3.27Å; C41-H93 PolarHBondContact N-ND1 2.76Å; C41-H93 PolarHBondContact O-CE1 3.05Å; C41-H93 PolarHBondContact O-ND1 2.72Å; A83-H93 VanDerWaalsContact CA-O 3.25Å; A83-H93 WeakPolarHBondContact CA-O 3.49Å; A83-H93 WeakPolarHBondContact CB-O 3.25Å; E84-H93 PolarHBondContact N-O 3.33Å; S91-H93 VanDerWaalsContact CB-CE1 3.47Å; S91-H93 WeakPolarHBondContact CB-CE1 3.44Å
94	L	98.7	Very high	97.7	Very high	1 Å²	1	62.6 Å²	62.6	1%	0.005	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	136.2	173.9	-173.8	71.5	0	0	0	109.2	Q38 L39 W53 L65 L66 F81 E82 A83 Y107	Q38-L94 CarbonylContact C-O 3.45Å; Q38-L94 VanDerWaalsContact CA-O 3.29Å; Q38-L94 WeakPolarHBondContact CA-O 3.28Å; L39-L94 HydrophobicContact CB-CB 4.28Å; L39-L94 HydrophobicContact CD1-CD2 4.23Å; L39-L94 PolarHBondContact N-O 3.01Å; L39-L94 PolarHBondContact O-N 3.44Å; W53-L94 HydrophobicContact CB-CD1 4.27Å; W53-L94 HydrophobicContact CD2-CB 3.8Å; W53-L94 HydrophobicContact CD2-CD1 4.44Å; W53-L94 HydrophobicContact CD2-CD2 4.06Å; W53-L94 HydrophobicContact CD2-CG 4.33Å; W53-L94 VanDerWaalsContact CE2-CB 3.48Å; W53-L94 HydrophobicContact CE3-CB 4.38Å; W53-L94 HydrophobicContact CE3-CD2 4.08Å; W53-L94 HydrophobicContact CG-CB 4.14Å; W53-L94 HydrophobicContact CG-CD1 3.98Å; W53-L94 HydrophobicContact CG-CD2 4.31Å; W53-L94 HydrophobicContact CG-CG 4.39Å; W53-L94 HydrophobicContact CH2-CB 4.31Å; W53-L94 HydrophobicContact CZ2-CB 3.73Å; L65-L94 HydrophobicContact CD2-CD1 3.73Å; L65-L94 HydrophobicContact CD2-CD2 3.59Å; L65-L94 HydrophobicContact CD2-CG 4.3Å; L66-L94 HydrophobicContact CD1-CD1 4.49Å; L66-L94 HydrophobicContact CD2-CD1 3.68Å; L66-L94 HydrophobicContact CG-CD1 4.19Å; F81-L94 HydrophobicContact CB-CD1 4.12Å; F81-L94 HydrophobicContact CD1-CD1 3.97Å; F81-L94 HydrophobicContact CD1-CD2 3.74Å; F81-L94 HydrophobicContact CD1-CG 3.76Å; F81-L94 HydrophobicContact CE1-CD2 3.96Å; F81-L94 HydrophobicContact CE1-CG 4.35Å; F81-L94 HydrophobicContact CG-CD1 4.43Å; E82-L94 CarbonylContact O-C 3.58Å; E82-L94 WeakPolarHBondContact O-CA 3.47Å; A83-L94 HydrophobicContact CB-CD1 4.37Å; L94-Y107 HydrophobicContact CD2-CD1 3.68Å; L94-Y107 HydrophobicContact CD2-CE1 4.07Å; L94-Y107 HydrophobicContact CD2-CG 4.44Å
95	R	98.6	Very high	97.7	Very high	104 Å²	104	59.6 Å²	59.6	39%	0.392	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	151.9	-179.4	-51.8	179.9	90.1	146.1	1.9	110.1	L37 Q38 F81 E82	L37-R95 VanDerWaalsContact O-CA 3.29Å; L37-R95 WeakPolarHBondContact O-CA 3.49Å; Q38-R95 HydrophobicContact CG-CG 4.23Å; Q38-R95 VanDerWaalsContact OE1-CZ 3.32Å; F81-R95 WeakPolarHBondContact CA-O 3.38Å; E82-R95 HydrophobicContact CG-CB 3.99Å; E82-R95 PolarHBondContact N-O 2.95Å; E82-R95 PolarHBondContact O-N 2.81Å
96	K	98.4	Very high	97.7	Very high	23 Å²	23	62.1 Å²	62.1	10%	0.1	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.1	128.6	167.9	-176.6	164	-179.3	169.8	0	108.4	S36 L37 N79 F81 S98 V99 D103	S36-K96 CarbonylContact C-O 3.58Å; S36-K96 WeakPolarHBondContact CA-O 3.31Å; L37-K96 PolarHBondContact N-O 3.48Å; L37-K96 PolarHBondContact O-N 2.84Å; N79-K96 WeakPolarHBondContact O-CE 3.34Å; N79-K96 PolarHBondContact O-NZ 3.28Å; F81-K96 HydrophobicContact CD1-CB 3.81Å; F81-K96 HydrophobicContact CD1-CD 4.11Å; F81-K96 HydrophobicContact CD1-CG 4.48Å; F81-K96 HydrophobicContact CD2-CD 3.96Å; F81-K96 HydrophobicContact CE1-CB 3.77Å; F81-K96 HydrophobicContact CE1-CD 3.78Å; F81-K96 HydrophobicContact CE1-CG 4.4Å; F81-K96 HydrophobicContact CE2-CD 3.6Å; F81-K96 HydrophobicContact CG-CB 4.45Å; F81-K96 HydrophobicContact CG-CD 4.19Å; F81-K96 HydrophobicContact CZ-CB 4.37Å; F81-K96 HydrophobicContact CZ-CD 3.5Å; F81-K96 VanDerWaalsContact CZ-CD 3.5Å; K96-S98 WeakPolarHBondContact CE-O 3.39Å; K96-S98 PolarHBondContact O-N 2.88Å; K96-V99 HydrophobicContact CB-CG1 4.29Å; K96-V99 HydrophobicContact CD-CG1 4.3Å; K96-V99 HydrophobicContact CG-CG1 4.32Å; K96-D103 VanDerWaalsContact CE-OD2 3.24Å; K96-D103 WeakPolarHBondContact CE-OD2 3.28Å; K96-D103 IonicContact NZ-OD1 2.78Å; K96-D103 PolarHBondContact NZ-OD1 2.81Å; K96-D103 IonicContact NZ-OD2 2.71Å; K96-D103 PolarHBondContact NZ-OD2 2.96Å
97	A	98.1	Very high	97.7	Very high	87 Å²	87	62.4 Å²	62.4	72%	0.719	35%	0.346	S	S	*	.	S	Bend	trans	-67.5	-35.5	-173.1	0	0	0	0	0	113.1	S36	S36-A97 VanDerWaalsContact CA-O 3.25Å; S36-A97 WeakPolarHBondContact CA-O 3.22Å; S36-A97 WeakPolarHBondContact CB-O 3.36Å; S36-A97 PolarHBondContact N-O 3.01Å
98	S	98.1	Very high	97.9	Very high	68 Å²	68	58 Å²	58	48%	0.476	33%	0.328	S	S	.	.	S	Bend	trans	-145.9	114.5	179.6	176.4	0	0	0	0	109	G34 A35 K96	G34-S98 WeakPolarHBondContact CA-OG 3.49Å; G34-S98 PolarHBondContact O-OG 2.71Å; A35-S98 WeakPolarHBondContact O-CA 3.33Å; K96-S98 WeakPolarHBondContact CE-O 3.39Å; K96-S98 PolarHBondContact O-N 2.88Å
99	V	98.1	Very high	98	Very high	9 Å²	9	53.4 Å²	53.4	6%	0.055	30%	0.295	C	S	.	.			trans	-87.7	151.3	-179.9	-61.1	0	0	0	0	112.3	V31 S32 G34 A35 L37 K96 D103	V31-V99 HydrophobicContact CG1-CG2 3.81Å; V31-V99 HydrophobicContact CG2-CG2 4.01Å; S32-V99 WeakPolarHBondContact O-CG2 3.46Å; G34-V99 PolarHBondContact N-O 2.81Å; A35-V99 WeakPolarHBondContact O-CG2 3.42Å; A35-V99 PolarHBondContact O-N 2.94Å; L37-V99 HydrophobicContact CB-CG1 3.38Å; L37-V99 HydrophobicContact CD2-CG1 3.98Å; L37-V99 HydrophobicContact CG-CG1 4.3Å; K96-V99 HydrophobicContact CB-CG1 4.29Å; K96-V99 HydrophobicContact CD-CG1 4.3Å; K96-V99 HydrophobicContact CG-CG1 4.32Å; V99-D103 WeakPolarHBondContact CA-OD2 3.28Å
100	H	97.8	Very high	98	Very high	87 Å²	87	51.5 Å²	51.5	40%	0.403	29%	0.287	S	S	.	.			trans	-120	158.6	175.7	-171.6	-106.4	0	0	0	110.2	E33 S102 D103	E33-H100 IonicContact OE1-CD2 3.95Å; E33-H100 PolarHBondContact OE1-CD2 2.79Å; E33-H100 IonicContact OE1-CG 2.79Å; E33-H100 IonicContact OE1-NE2 3.01Å; H100-S102 PolarHBondContact ND1-N 3.06Å; H100-S102 PolarHBondContact ND1-OG 3.05Å; H100-S102 PolarHBondContact O-N 3.29Å; H100-D103 PolarHBondContact N-OD2 3.39Å; H100-D103 VanDerWaalsContact O-CB 3.31Å; H100-D103 WeakPolarHBondContact O-CB 3.3Å; H100-D103 PolarHBondContact O-N 2.93Å
101	W	96.6	Very high	98	Very high	181 Å²	181	50.4 Å²	50.4	69%	0.686	28%	0.277	S	S	*	.	G	3₁₀ helix	trans	-54.2	-31.6	179.9	63.9	-99	0	0	0	113.1	E33 D103 S104	E33-W101 VanDerWaalsContact OE1-CD1 3.29Å; E33-W101 PolarHBondContact OE1-N 3.18Å; W101-D103 PolarHBondContact O-N 3.28Å; W101-S104 VanDerWaalsContact O-CB 3.28Å; W101-S104 WeakPolarHBondContact O-CB 3.4Å; W101-S104 PolarHBondContact O-N 3.07Å; W101-S104 VanDerWaalsContact O-N 3.13Å; W101-S104 PolarHBondContact O-OG 2.96Å
102	S	96.4	Very high	97.7	Very high	54 Å²	54	54 Å²	54	38%	0.378	30%	0.302	S	S	.	.	G	3₁₀ helix	trans	-67.3	-14.9	178.2	59.3	0	0	0	0	114	Y57 H100 S104	Y57-S102 WeakPolarHBondContact CE1-O 3.25Å; H100-S102 PolarHBondContact ND1-N 3.06Å; H100-S102 PolarHBondContact ND1-OG 3.05Å; H100-S102 PolarHBondContact O-N 3.29Å; S102-S104 PolarHBondContact O-N 2.85Å
103	D	97.7	Very high	97.6	Very high	12 Å²	12	56.7 Å²	56.7	6%	0.064	32%	0.317	C	S	.	.	G	3₁₀ helix	trans	-80.3	-0.1	173.9	-59.8	-44.3	0	0	0	112.5	F81 K96 V99 H100 W101 A105 Y107	F81-D103 HydrophobicContact CZ-CB 4.27Å; K96-D103 VanDerWaalsContact CE-OD2 3.24Å; K96-D103 WeakPolarHBondContact CE-OD2 3.28Å; K96-D103 IonicContact NZ-OD1 2.78Å; K96-D103 PolarHBondContact NZ-OD1 2.81Å; K96-D103 IonicContact NZ-OD2 2.71Å; K96-D103 PolarHBondContact NZ-OD2 2.96Å; V99-D103 WeakPolarHBondContact CA-OD2 3.28Å; H100-D103 PolarHBondContact N-OD2 3.39Å; H100-D103 VanDerWaalsContact O-CB 3.31Å; H100-D103 WeakPolarHBondContact O-CB 3.3Å; H100-D103 PolarHBondContact O-N 2.93Å; W101-D103 PolarHBondContact O-N 3.28Å; D103-A105 PolarHBondContact O-N 3.36Å; D103-Y107 WeakPolarHBondContact O-CE2 3.23Å; D103-Y107 PolarHBondContact O-OH 2.87Å
104	S	97.9	Very high	97.6	Very high	89 Å²	89	57.7 Å²	57.7	62%	0.622	33%	0.325	S	S	*	.			trans	-68.9	104.1	178.5	-59.6	0	0	0	0	111	W101 S102	W101-S104 VanDerWaalsContact O-CB 3.28Å; W101-S104 WeakPolarHBondContact O-CB 3.4Å; W101-S104 PolarHBondContact O-N 3.07Å; W101-S104 VanDerWaalsContact O-N 3.13Å; W101-S104 PolarHBondContact O-OG 2.96Å; S102-S104 PolarHBondContact O-N 2.85Å
105	A	97.9	Very high	97.5	Very high	32 Å²	32	60.9 Å²	60.9	26%	0.264	34%	0.343	S	S	.	.	S	Bend	trans	-157.7	177.2	-175.9	0	0	0	0	0	111.9	V55 Y57 D103 Y107	V55-A105 HydrophobicContact CG2-CB 3.47Å; V55-A105 VanDerWaalsContact CG2-CB 3.47Å; Y57-A105 HydrophobicContact CD1-CB 3.67Å; Y57-A105 HydrophobicContact CE1-CB 3.82Å; Y57-A105 HydrophobicContact CG-CB 4.35Å; D103-A105 PolarHBondContact O-N 3.36Å; A105-Y107 HydrophobicContact CB-CD2 4.47Å; A105-Y107 HydrophobicContact CB-CE2 3.9Å
106	V	98.4	Very high	97.5	Very high	79 Å²	79	58.4 Å²	58.4	48%	0.479	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	132.3	167.1	-172.4	0	0	0	0	108.7	V55 Q56 F108	V55-V106 CarbonylContact C-O 3.51Å; V55-V106 WeakPolarHBondContact CA-O 3.41Å; Q56-V106 HydrophobicContact CB-CB 4.45Å; Q56-V106 PolarHBondContact N-O 2.81Å; Q56-V106 PolarHBondContact O-N 2.99Å; V106-F108 HydrophobicContact CB-CE2 3.97Å; V106-F108 HydrophobicContact CB-CZ 4.28Å; V106-F108 HydrophobicContact CG1-CD2 4.21Å; V106-F108 HydrophobicContact CG1-CE1 4.09Å; V106-F108 HydrophobicContact CG1-CE2 3.48Å; V106-F108 VanDerWaalsContact CG1-CE2 3.48Å; V106-F108 HydrophobicContact CG1-CZ 3.42Å; V106-F108 VanDerWaalsContact CG1-CZ 3.42Å
107	Y	98.4	Very high	97.4	Very high	23 Å²	23	60.6 Å²	60.6	9%	0.09	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	128.1	-178	-68	-96.1	0	0	0	110.4	Q24 L39 Y54 V55 L65 F81 L94 D103 A105	Q24-Y107 PolarHBondContact NE2-O 3.47Å; L39-Y107 VanDerWaalsContact CD1-CB 3.47Å; L39-Y107 HydrophobicContact CD1-CD1 4.24Å; L39-Y107 HydrophobicContact CD1-CD2 3.7Å; L39-Y107 HydrophobicContact CD1-CE2 4.5Å; L39-Y107 HydrophobicContact CD1-CG 3.55Å; Y54-Y107 CarbonylContact O-C 3.53Å; Y54-Y107 WeakPolarHBondContact O-CA 3.43Å; V55-Y107 HydrophobicContact CB-CD1 4.04Å; V55-Y107 HydrophobicContact CB-CE1 3.95Å; V55-Y107 HydrophobicContact CG2-CD1 3.97Å; V55-Y107 HydrophobicContact CG2-CE1 3.61Å; V55-Y107 HydrophobicContact CG2-CE2 4.38Å; L65-Y107 HydrophobicContact CD2-CD1 4.18Å; L65-Y107 HydrophobicContact CD2-CE1 4.01Å; F81-Y107 HydrophobicContact CE1-CE1 4.06Å; F81-Y107 HydrophobicContact CE2-CE1 4.44Å; F81-Y107 AromaticContact CZ-CE1 3.88Å; F81-Y107 HydrophobicContact CZ-CE1 3.88Å; F81-Y107 AromaticContact CZ-CZ 3.81Å; F81-Y107 WeakPolarHBondContact CZ-OH 3.34Å; L94-Y107 HydrophobicContact CD2-CD1 3.68Å; L94-Y107 HydrophobicContact CD2-CE1 4.07Å; L94-Y107 HydrophobicContact CD2-CG 4.44Å; D103-Y107 WeakPolarHBondContact O-CE2 3.23Å; D103-Y107 PolarHBondContact O-OH 2.87Å; A105-Y107 HydrophobicContact CB-CD2 4.47Å; A105-Y107 HydrophobicContact CB-CE2 3.9Å
108	F	98.5	Very high	97.4	Very high	74 Å²	74	58.8 Å²	58.8	33%	0.325	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	123.4	-176.4	-63.7	-84.2	0	0	0	110.4	W53 Y54 Q56 L62 V106 V110	W53-F108 WeakPolarHBondContact CA-O 3.38Å; Y54-F108 PolarHBondContact N-O 2.91Å; Y54-F108 PolarHBondContact O-N 2.7Å; Q56-F108 HydrophobicContact CB-CE2 3.94Å; L62-F108 HydrophobicContact CD2-CD2 3.45Å; L62-F108 VanDerWaalsContact CD2-CD2 3.45Å; L62-F108 HydrophobicContact CD2-CE2 3.72Å; L62-F108 HydrophobicContact CD2-CG 4.32Å; V106-F108 HydrophobicContact CB-CE2 3.97Å; V106-F108 HydrophobicContact CB-CZ 4.28Å; V106-F108 HydrophobicContact CG1-CD2 4.21Å; V106-F108 HydrophobicContact CG1-CE1 4.09Å; V106-F108 HydrophobicContact CG1-CE2 3.48Å; V106-F108 VanDerWaalsContact CG1-CE2 3.48Å; V106-F108 HydrophobicContact CG1-CZ 3.42Å; V106-F108 VanDerWaalsContact CG1-CZ 3.42Å; F108-V110 HydrophobicContact CB-CG2 4.5Å
109	C	98.4	Very high	97.3	Very high	10 Å²	10	58.1 Å²	58.1	7%	0.068	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	132.9	166.5	-168.6	0	0	0	0	109.1	V22 Q24 C41 F52 W53	V22-C109 HydrophobicContact CG1-CB 3.87Å; Q24-C109 HydrophobicContact CG-CB 4.05Å; C41-C109 HydrophobicContact CB-CB 3.51Å; C41-C109 WeakPolarHBondContact CB-SG 3.29Å; C41-C109 WeakPolarHBondContact SG-CB 3.5Å; C41-C109 CovalentContact SG-SG 2.02Å; C41-C109 PolarHBondContact SG-SG 2.84Å; F52-C109 WeakPolarHBondContact O-CA 3.17Å; W53-C109 HydrophobicContact CD2-CB 4.23Å; W53-C109 HydrophobicContact CE3-CB 4.2Å; W53-C109 HydrophobicContact CH2-CB 3.83Å; W53-C109 HydrophobicContact CZ2-CB 3.83Å; W53-C109 HydrophobicContact CZ3-CB 4Å
110	V	98	Very high	97.2	Very high	59 Å²	59	61.9 Å²	61.9	36%	0.358	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	140.7	-176.4	-174.5	0	0	0	0	109.5	L51 F52 Y54 F108	L51-V110 WeakPolarHBondContact CA-O 3.45Å; F52-V110 HydrophobicContact CB-CB 4.29Å; F52-V110 HydrophobicContact CD2-CB 4.47Å; F52-V110 PolarHBondContact N-O 3.14Å; F52-V110 PolarHBondContact O-N 3.22Å; Y54-V110 HydrophobicContact CD2-CG2 4.08Å; F108-V110 HydrophobicContact CB-CG2 4.5Å
111	L	96.9	Very high	97.2	Very high	23 Å²	23	59.8 Å²	59.8	12%	0.12	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	138.6	173.2	170.4	67	0	0	0	108.8	Q20 V22 S44 P49 Y50 L51	Q20-L111 HydrophobicContact CB-CD2 3.75Å; Q20-L111 HydrophobicContact CG-CD2 4.09Å; V22-L111 HydrophobicContact CG2-CB 3.35Å; S44-L111 VanDerWaalsContact O-CD2 3.25Å; S44-L111 WeakPolarHBondContact O-CD2 3.39Å; P49-L111 HydrophobicContact CB-CD1 3.33Å; Y50-L111 CarbonylContact O-C 3.57Å; Y50-L111 WeakPolarHBondContact O-CA 3.4Å; L51-L111 HydrophobicContact CD2-CB 3.97Å; L51-L111 HydrophobicContact CD2-CD1 3.75Å; L51-L111 HydrophobicContact CD2-CG 4.45Å; L51-L111 HydrophobicContact CG-CD1 4.34Å
112	S	91.3	Very high	97.3	Very high	82 Å²	82	48.8 Å²	48.8	57%	0.573	30%	0.304	S	S	*	.			trans	-128.6	0	166	179.8	0	0	0	0	111.1	Y50	Y50-S112 PolarHBondContact N-O 3.19Å; Y50-S112 PolarHBondContact O-N 3.11Å

Retrieved 112 of 112 residues in 303.5 ms (Link to these results)

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