A0A087WQ87_MOUSE Loading...

T cell receptor alpha variable 17

AlphaFold DB , UniProt , Accession A0A087WQ87, Species MOUSE (Mus musculus, Mouse), Gene Trav17, Length 112 aa.

						>A0A087WQ87_MOUSE|A0A087WQ87|Trav17
MFPVTILLLSAFFSLRNSAQSVDQPDAHVTLSEGASLELRCSYSYSAAPYLFWYVQYPGQSLQFLLKYITGDTVVKGTKGFEAEFRKSNSSFNLKKSPAHWSDSAKYFCALE
					

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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	59.5	Low	63.9	Low	238 Å²	238	142.5 Å²	142.5	100%	1.172	79%	0.785	S	S	*	*				0	108.4	0	-100.9	160.8	64	0	0	107.4
2	F	56.8	Low	63.6	Low	204 Å²	204	145.7 Å²	145.7	90%	0.895	79%	0.786	S	S	*	*			trans	-81.3	133.2	171.7	-66.4	-75.7	0	0	0	108.4
3	P	61	Low	62.7	Low	113 Å²	113	147.3 Å²	147.3	73%	0.734	78%	0.782	S	S	*	*			trans	-71.3	140.8	-179.6	28.6	-32	0	0	0	110.4
4	V	67.8	Low	62.1	Low	135 Å²	135	144.8 Å²	144.8	82%	0.818	78%	0.782	S	S	*	*			trans	-91.8	111.5	170.5	178.9	0	0	0	0	107.5	I6	V4-I6 HydrophobicContact CG1-CG1 4.4Å
5	T	73.2	Confident	61.6	Low	122 Å²	122	143.5 Å²	143.5	75%	0.748	77%	0.774	S	S	*	*			trans	-96.1	115.1	174.1	34.3	0	0	0	0	110.2
6	I	72.8	Confident	61.3	Low	139 Å²	139	149.5 Å²	149.5	71%	0.713	78%	0.782	S	S	*	*			trans	-94.7	106.8	171.2	-59.5	174.7	0	0	0	107.6	V4 L8	V4-I6 HydrophobicContact CG1-CG1 4.4Å; I6-L8 HydrophobicContact CG2-CD2 4.27Å; I6-L8 HydrophobicContact CG2-CG 4.18Å; I6-L8 PolarHBondContact O-N 3.47Å
7	L	64.3	Low	61.1	Low	154 Å²	154	147.9 Å²	147.9	81%	0.806	77%	0.774	S	S	*	*			trans	-82.1	96.6	171.5	-74.4	162.7	0	0	0	108.6	L9	L7-L9 PolarHBondContact O-N 3.01Å; L7-L9 VanDerWaalsContact O-N 3.09Å
8	L	63.6	Low	61.3	Low	158 Å²	158	144.6 Å²	144.6	83%	0.827	77%	0.766	S	S	*	*			trans	-75.6	90.8	166.9	-68.6	170.4	0	0	0	108	I6 S10	I6-L8 HydrophobicContact CG2-CD2 4.27Å; I6-L8 HydrophobicContact CG2-CG 4.18Å; I6-L8 PolarHBondContact O-N 3.47Å; L8-S10 VanDerWaalsContact C-N 3.34Å; L8-S10 PolarHBondContact O-N 3.27Å
9	L	56.7	Low	62.2	Low	159 Å²	159	140.9 Å²	140.9	83%	0.832	76%	0.758	S	S	*	*			trans	-67.1	97.8	165.2	-95.9	101.7	0	0	0	108	L7 A11	L7-L9 PolarHBondContact O-N 3.01Å; L7-L9 VanDerWaalsContact O-N 3.09Å; L9-A11 VanDerWaalsContact C-N 3.28Å; L9-A11 PolarHBondContact O-N 3.16Å
10	S	61.7	Low	63.5	Low	82 Å²	82	137.8 Å²	137.8	57%	0.573	74%	0.738	S	S	*	*			trans	-69.2	91.4	165.1	58.2	0	0	0	0	107.9	L8 F12	L8-S10 VanDerWaalsContact C-N 3.34Å; L8-S10 PolarHBondContact O-N 3.27Å; S10-F12 PolarHBondContact O-N 3.22Å; S10-F12 WeakPolarHBondContact OG-CE2 3.41Å
11	A	65.8	Low	65.1	Low	63 Å²	63	134 Å²	134	52%	0.521	72%	0.723	S	S	.	*			trans	-66.9	100.1	167	0	0	0	0	0	107.7	L9 F13	L9-A11 VanDerWaalsContact C-N 3.28Å; L9-A11 PolarHBondContact O-N 3.16Å; A11-F13 HydrophobicContact CB-CD2 3.78Å; A11-F13 HydrophobicContact CB-CE2 3.4Å; A11-F13 HydrophobicContact CB-CZ 3.9Å; A11-F13 PolarHBondContact O-N 3.02Å
12	F	60.3	Low	66.9	Low	181 Å²	181	125 Å²	125	79%	0.794	68%	0.681	S	S	*	*			trans	-71	82.8	166.1	-68.4	-79	0	0	0	107.6	S10 S14	S10-F12 PolarHBondContact O-N 3.22Å; S10-F12 WeakPolarHBondContact OG-CE2 3.41Å; F12-S14 PolarHBondContact O-N 2.68Å
13	F	51.7	Low	68.8	Low	167 Å²	167	119.7 Å²	119.7	73%	0.732	66%	0.662	S	S	*	*			trans	-69.1	90.9	166.3	-69.4	-74	0	0	0	107.7	A11 L15	A11-F13 HydrophobicContact CB-CD2 3.78Å; A11-F13 HydrophobicContact CB-CE2 3.4Å; A11-F13 HydrophobicContact CB-CZ 3.9Å; A11-F13 PolarHBondContact O-N 3.02Å; F13-L15 HydrophobicContact CB-CD1 3.76Å; F13-L15 PolarHBondContact O-N 2.97Å
14	S	54	Low	70.6	Confident	112 Å²	112	117.4 Å²	117.4	78%	0.783	64%	0.642	S	S	*	*			trans	-67.9	81.3	160.2	-62	0	0	0	0	107.2	F12 R16	F12-S14 PolarHBondContact O-N 2.68Å; S14-R16 PolarHBondContact O-N 2.77Å
15	L	55.4	Low	71.9	Confident	126 Å²	126	113.9 Å²	113.9	66%	0.66	62%	0.621	S	S	*	*			trans	-63.5	94.8	163.7	-97.1	74.7	0	0	0	105.9	F13 N17	F13-L15 HydrophobicContact CB-CD1 3.76Å; F13-L15 PolarHBondContact O-N 2.97Å; L15-N17 PolarHBondContact O-N 3.09Å
16	R	57.1	Low	72.9	Confident	239 Å²	239	110 Å²	110	90%	0.902	60%	0.597	S	S	*	*			trans	-70.2	74.5	162.6	-168.9	175.5	-174.4	-133.1	1.6	106.3	S14 S18	S14-R16 PolarHBondContact O-N 2.77Å; R16-S18 VanDerWaalsContact C-N 3.32Å; R16-S18 PolarHBondContact O-N 2.9Å
17	N	57	Low	73.8	Confident	122 Å²	122	108.3 Å²	108.3	65%	0.652	60%	0.603	S	S	*	*			trans	-66.1	101.9	166.1	-83.1	11.5	0	0	0	105.2	L15 A19	L15-N17 PolarHBondContact O-N 3.09Å; N17-A19 PolarHBondContact O-N 3.21Å
18	S	64.7	Low	75.3	Confident	89 Å²	89	108.7 Å²	108.7	62%	0.622	60%	0.6	S	S	*	*			trans	-65.1	75.9	155.8	52.5	0	0	0	0	106.5	R16 Q20	R16-S18 VanDerWaalsContact C-N 3.32Å; R16-S18 PolarHBondContact O-N 2.9Å; S18-Q20 PolarHBondContact O-N 3.12Å; S18-Q20 VanDerWaalsContact O-N 3.15Å
19	A	79	Confident	76.8	Confident	75 Å²	75	104.2 Å²	104.2	62%	0.62	58%	0.579	S	S	*	*			trans	-63.9	117.5	179.5	0	0	0	0	0	107.1	N17	N17-A19 PolarHBondContact O-N 3.21Å
20	Q	88.9	Confident	78.8	Confident	77 Å²	77	102.2 Å²	102.2	36%	0.36	57%	0.574	S	S	.	*			trans	-72.6	138.2	172.2	-57.2	-163.5	48.6	0	0	108.4	S18 S44 Y45 L111	S18-Q20 PolarHBondContact O-N 3.12Å; S18-Q20 VanDerWaalsContact O-N 3.15Å; Q20-S44 WeakPolarHBondContact CA-O 3.48Å; Q20-Y45 HydrophobicContact CB-CD2 4.48Å; Q20-Y45 HydrophobicContact CG-CD2 3.5Å; Q20-Y45 VanDerWaalsContact CG-CD2 3.5Å; Q20-Y45 HydrophobicContact CG-CE2 3.68Å; Q20-Y45 HydrophobicContact CG-CG 4.29Å; Q20-Y45 VanDerWaalsContact OE1-CD2 3.28Å; Q20-Y45 VanDerWaalsContact OE1-CE2 3.27Å; Q20-L111 HydrophobicContact CB-CD2 3.79Å
21	S	95.1	Very high	80.4	Confident	60 Å²	60	101 Å²	101	42%	0.42	56%	0.561	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-148.1	161	178.2	67.4	0	0	0	0	112.5	Y43 S44	S21-Y43 CarbonylContact O-C 3.47Å; S21-Y43 VanDerWaalsContact O-CA 3.28Å; S21-Y43 WeakPolarHBondContact O-CA 3.26Å; S21-S44 PolarHBondContact N-O 2.9Å; S21-S44 PolarHBondContact O-N 2.97Å; S21-S44 VanDerWaalsContact OG-CB 3.31Å; S21-S44 WeakPolarHBondContact OG-CB 3.2Å
22	V	97.5	Very high	81.9	Confident	49 Å²	49	102.1 Å²	102.1	30%	0.297	57%	0.565	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-124.3	149.4	164.1	-67.7	0	0	0	0	109.1	S42 L51 L111	V22-S42 CarbonylContact C-O 3.55Å; V22-S42 WeakPolarHBondContact CA-O 3.3Å; V22-L51 HydrophobicContact CG1-CD2 4.35Å; V22-L111 HydrophobicContact CG1-CB 3.61Å
23	D	97.5	Very high	83.6	Confident	92 Å²	92	98.4 Å²	98.4	49%	0.492	55%	0.55	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	132	174.5	177	63.8	0	0	0	110.2	C41 S42	D23-C41 WeakPolarHBondContact O-CA 3.26Å; D23-S42 PolarHBondContact N-O 2.8Å; D23-S42 PolarHBondContact O-N 3.48Å
24	Q	98.3	Very high	85.9	Confident	64 Å²	64	92.6 Å²	92.6	30%	0.299	54%	0.537	S	S	.	.			trans	-121.2	90.7	-179.5	-72.6	-179.4	-118.1	0	0	108.8	D26 C41 W53 Y107 C109	Q24-D26 PolarHBondContact O-N 3.37Å; Q24-C41 HydrophobicContact CG-CB 4.48Å; Q24-W53 HydrophobicContact CG-CH2 4.39Å; Q24-Y107 PolarHBondContact NE2-O 3.07Å; Q24-C109 HydrophobicContact CG-CB 3.93Å
25	P	96.4	Very high	88	Confident	61 Å²	61	89 Å²	89	40%	0.396	52%	0.515	S	S	.	.			trans	-69.8	-19.2	-174.6	28.1	-36.5	0	0	0	113.2	A27 R40	P25-A27 PolarHBondContact O-N 2.89Å; P25-A27 VanDerWaalsContact O-N 3.07Å; P25-R40 HydrophobicContact CG-CB 3.93Å
26	D	93.8	Very high	90	Very high	42 Å²	42	87.3 Å²	87.3	23%	0.225	51%	0.513	C	S	.	.			trans	-83.9	76.2	-178.8	-59.1	-44.5	0	0	0	111	Q24 H28 V29 L39 R40	Q24-D26 PolarHBondContact O-N 3.37Å; D26-H28 VanDerWaalsContact C-N 3.29Å; D26-H28 PolarHBondContact O-N 2.97Å; D26-V29 HydrophobicContact CB-CG2 3.82Å; D26-L39 HydrophobicContact CB-CD2 4.36Å; D26-R40 IonicContact OD1-CZ 3.99Å; D26-R40 VanDerWaalsContact OD1-CZ 3.31Å; D26-R40 IonicContact OD1-NE 3.96Å; D26-R40 PolarHBondContact OD1-NE 2.78Å; D26-R40 VanDerWaalsContact OD1-NE 3.1Å; D26-R40 IonicContact OD1-NH2 2.81Å; D26-R40 PolarHBondContact OD1-NH2 3.25Å; D26-R40 WeakPolarHBondContact OD2-CB 3.31Å; D26-R40 VanDerWaalsContact OD2-CG 3.29Å; D26-R40 WeakPolarHBondContact OD2-CG 3.38Å; D26-R40 IonicContact OD2-CZ 2.71Å; D26-R40 PolarHBondContact OD2-N 3.46Å; D26-R40 IonicContact OD2-NE 2.69Å; D26-R40 PolarHBondContact OD2-NE 2.69Å; D26-R40 IonicContact OD2-NH2 3.85Å
27	A	91.9	Very high	91.9	Very high	103 Å²	103	76.7 Å²	76.7	85%	0.851	47%	0.474	S	S	*	.	S	Bend	trans	-63.1	-34.7	-177.9	0	0	0	0	0	113.3	P25	P25-A27 PolarHBondContact O-N 2.89Å; P25-A27 VanDerWaalsContact O-N 3.07Å
28	H	94.9	Very high	93.9	Very high	162 Å²	162	75.2 Å²	75.2	75%	0.75	46%	0.463	S	S	*	.			trans	-151.1	126.4	176.7	-175.5	-116.5	0	0	0	110.1	D26 T30	D26-H28 VanDerWaalsContact C-N 3.29Å; D26-H28 PolarHBondContact O-N 2.97Å; H28-T30 PolarHBondContact CE1-OG1 3.44Å
29	V	96.4	Very high	95.5	Very high	63 Å²	63	71.7 Å²	71.7	38%	0.382	44%	0.437	S	S	.	.			trans	-122	132.2	178.1	179.3	0	0	0	0	108.7	D26 L31 L37 L39	D26-V29 HydrophobicContact CB-CG2 3.82Å; V29-L31 HydrophobicContact CG1-CD2 4.22Å; V29-L37 HydrophobicContact CG1-CD1 4.33Å; V29-L39 HydrophobicContact CB-CD2 4.19Å; V29-L39 HydrophobicContact CG2-CD2 3.69Å
30	T	96.7	Very high	96.4	Very high	117 Å²	117	73.7 Å²	73.7	72%	0.718	43%	0.429	S	S	*	.			trans	-125.9	131.5	173.9	-53.6	0	0	0	0	108.5	H28	H28-T30 PolarHBondContact CE1-OG1 3.44Å
31	L	95.9	Very high	96.9	Very high	57 Å²	57	70.1 Å²	70.1	30%	0.298	41%	0.412	S	S	.	.			trans	-146.3	159.8	-176.5	57.8	86.6	0	0	0	110.1	V29 A35 L37 A99	V29-L31 HydrophobicContact CG1-CD2 4.22Å; L31-A35 HydrophobicContact CB-CB 4.38Å; L31-A35 HydrophobicContact CD1-CB 4.3Å; L31-L37 HydrophobicContact CD2-CB 3.81Å; L31-L37 HydrophobicContact CD2-CD1 3.62Å; L31-L37 HydrophobicContact CD2-CG 4.28Å; L31-A99 HydrophobicContact CD1-CB 3.54Å; L31-A99 HydrophobicContact CD2-CB 4.46Å
32	S	97.2	Very high	97	Very high	87 Å²	87	69.4 Å²	69.4	61%	0.608	41%	0.407	S	S	*	.			trans	-78.4	148.2	174.6	-56.3	0	0	0	0	111.3	G34 A35	S32-G34 PolarHBondContact O-N 2.8Å; S32-A35 WeakPolarHBondContact O-CB 3.38Å; S32-A35 PolarHBondContact O-N 3.06Å
33	E	97.4	Very high	96.9	Very high	102 Å²	102	67.9 Å²	67.9	48%	0.477	40%	0.396	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.2	139.2	170.2	175.9	171	-129.4	0	0	111.5	A35 H100 W101	E33-A35 VanDerWaalsContact C-N 3.26Å; E33-A35 PolarHBondContact O-N 2.87Å; E33-H100 IonicContact OE1-ND1 2.74Å; E33-W101 HydrophobicContact CB-CD2 4.08Å; E33-W101 HydrophobicContact CB-CG 4.49Å; E33-W101 HydrophobicContact CB-CH2 4.23Å; E33-W101 HydrophobicContact CB-CZ2 3.49Å; E33-W101 VanDerWaalsContact CB-CZ2 3.49Å; E33-W101 VanDerWaalsContact OE2-CD1 3.26Å; E33-W101 PolarHBondContact OE2-NE1 2.99Å
34	G	98	Very high	96.8	Very high	45 Å²	45	66.8 Å²	66.8	46%	0.464	40%	0.396	S	S	.	.	T	Hydrogen-bonded Turn	trans	86.3	-14.9	-175.1	0	0	0	0	0	114.4	S32 A99	S32-G34 PolarHBondContact O-N 2.8Å; G34-A99 PolarHBondContact N-O 2.85Å
35	A	98.2	Very high	96.5	Very high	38 Å²	38	67.2 Å²	67.2	31%	0.314	40%	0.395	S	S	.	.	S	Bend	trans	-71.3	163.7	176.8	0	0	0	0	0	112.2	L31 S32 E33 A99	L31-A35 HydrophobicContact CB-CB 4.38Å; L31-A35 HydrophobicContact CD1-CB 4.3Å; S32-A35 WeakPolarHBondContact O-CB 3.38Å; S32-A35 PolarHBondContact O-N 3.06Å; E33-A35 VanDerWaalsContact C-N 3.26Å; E33-A35 PolarHBondContact O-N 2.87Å; A35-A99 VanDerWaalsContact O-CB 3.31Å; A35-A99 WeakPolarHBondContact O-CB 3.15Å; A35-A99 PolarHBondContact O-N 2.87Å
36	S	98	Very high	96	Very high	89 Å²	89	69.8 Å²	69.8	62%	0.622	42%	0.415	S	S	*	.	P	Polyproline II helix	trans	-83.4	123.2	173.8	-54.3	0	0	0	0	110.4	S97	S36-S97 PolarHBondContact OG-OG 2.81Å
37	L	97.6	Very high	95.7	Very high	17 Å²	17	70.3 Å²	70.3	9%	0.089	43%	0.425	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	134.1	171.9	171.6	64.2	0	0	0	109.8	V29 L31 L39 F81 K95 K96 A99	V29-L37 HydrophobicContact CG1-CD1 4.33Å; L31-L37 HydrophobicContact CD2-CB 3.81Å; L31-L37 HydrophobicContact CD2-CD1 3.62Å; L31-L37 HydrophobicContact CD2-CG 4.28Å; L37-L39 HydrophobicContact CD1-CD2 3.86Å; L37-L39 HydrophobicContact CD1-CG 3.87Å; L37-L39 HydrophobicContact CG-CG 4.38Å; L37-F81 HydrophobicContact CD2-CE1 3.83Å; L37-F81 HydrophobicContact CD2-CZ 4.47Å; L37-K95 VanDerWaalsContact O-CA 3.29Å; L37-K95 WeakPolarHBondContact O-CA 3.05Å; L37-K96 HydrophobicContact CB-CB 4.35Å; L37-K96 HydrophobicContact CD2-CB 4.42Å; L37-K96 PolarHBondContact N-O 3.1Å; L37-K96 PolarHBondContact O-N 2.85Å; L37-A99 HydrophobicContact CB-CB 4.07Å
38	E	97.9	Very high	95.6	Very high	90 Å²	90	68.6 Å²	68.6	42%	0.421	41%	0.411	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	128.6	162.9	-176.6	169.2	161.6	0	0	109.3	N93 L94 K95	E38-N93 HydrophobicContact CG-CB 4.22Å; E38-N93 PolarHBondContact OE1-ND2 3.01Å; E38-L94 CarbonylContact C-O 3.56Å; E38-L94 VanDerWaalsContact CA-O 3.3Å; E38-L94 WeakPolarHBondContact CA-O 3.48Å; E38-K95 HydrophobicContact CB-CG 4.4Å; E38-K95 HydrophobicContact CG-CG 4.13Å; E38-K95 WeakPolarHBondContact OE2-CE 2.92Å
39	L	98.5	Very high	95.6	Very high	15 Å²	15	61.2 Å²	61.2	8%	0.079	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	122.8	171.8	-60.8	177.7	0	0	0	108.8	D26 V29 L37 W53 N93 L94 Y107	D26-L39 HydrophobicContact CB-CD2 4.36Å; V29-L39 HydrophobicContact CB-CD2 4.19Å; V29-L39 HydrophobicContact CG2-CD2 3.69Å; L37-L39 HydrophobicContact CD1-CD2 3.86Å; L37-L39 HydrophobicContact CD1-CG 3.87Å; L37-L39 HydrophobicContact CG-CG 4.38Å; L39-W53 HydrophobicContact CB-CH2 3.97Å; L39-W53 HydrophobicContact CB-CZ2 4.48Å; L39-N93 CarbonylContact O-C 3.51Å; L39-N93 VanDerWaalsContact O-CA 3.27Å; L39-N93 WeakPolarHBondContact O-CA 3.3Å; L39-L94 HydrophobicContact CB-CB 4.32Å; L39-L94 HydrophobicContact CD1-CD2 4.34Å; L39-L94 PolarHBondContact N-O 3.03Å; L39-L94 PolarHBondContact O-N 2.71Å; L39-Y107 HydrophobicContact CD1-CD1 4.37Å; L39-Y107 HydrophobicContact CD1-CD2 3.69Å; L39-Y107 HydrophobicContact CD1-CE2 4.49Å; L39-Y107 HydrophobicContact CD1-CG 3.62Å
40	R	98.4	Very high	95.5	Very high	117 Å²	117	63 Å²	63	44%	0.442	38%	0.378	S	S	.	.			trans	-80.9	137.6	-177.3	-60.9	174.1	-67.5	161.3	-0.4	110.5	P25 D26 N93	P25-R40 HydrophobicContact CG-CB 3.93Å; D26-R40 IonicContact OD1-CZ 3.99Å; D26-R40 VanDerWaalsContact OD1-CZ 3.31Å; D26-R40 IonicContact OD1-NE 3.96Å; D26-R40 PolarHBondContact OD1-NE 2.78Å; D26-R40 VanDerWaalsContact OD1-NE 3.1Å; D26-R40 IonicContact OD1-NH2 2.81Å; D26-R40 PolarHBondContact OD1-NH2 3.25Å; D26-R40 WeakPolarHBondContact OD2-CB 3.31Å; D26-R40 VanDerWaalsContact OD2-CG 3.29Å; D26-R40 WeakPolarHBondContact OD2-CG 3.38Å; D26-R40 IonicContact OD2-CZ 2.71Å; D26-R40 PolarHBondContact OD2-N 3.46Å; D26-R40 IonicContact OD2-NE 2.69Å; D26-R40 PolarHBondContact OD2-NE 2.69Å; D26-R40 IonicContact OD2-NH2 3.85Å; R40-N93 WeakPolarHBondContact CA-OD1 3.35Å
41	C	98.4	Very high	95.6	Very high	2 Å²	2	57.5 Å²	57.5	1%	0.014	34%	0.344	C	S	.	.			trans	-135.8	126.8	165.9	173.8	0	0	0	0	108.4	D23 Q24 W53 S91 F92 N93 C109	D23-C41 WeakPolarHBondContact O-CA 3.26Å; Q24-C41 HydrophobicContact CG-CB 4.48Å; C41-W53 HydrophobicContact CB-CH2 4.09Å; C41-W53 HydrophobicContact CB-CZ2 3.42Å; C41-W53 VanDerWaalsContact CB-CZ2 3.42Å; C41-S91 CarbonylContact O-C 3.52Å; C41-S91 WeakPolarHBondContact O-CA 3.43Å; C41-S91 WeakPolarHBondContact O-CB 3.2Å; C41-F92 PolarHBondContact O-N 3.1Å; C41-N93 PolarHBondContact N-OD1 3.05Å; C41-N93 VanDerWaalsContact N-OD1 3.16Å; C41-N93 PolarHBondContact O-OD1 2.79Å; C41-C109 HydrophobicContact CB-CB 3.54Å; C41-C109 WeakPolarHBondContact CB-SG 3.26Å; C41-C109 WeakPolarHBondContact SG-CB 3.28Å; C41-C109 CovalentContact SG-SG 2.03Å; C41-C109 PolarHBondContact SG-SG 3.28Å
42	S	97.5	Very high	95.7	Very high	45 Å²	45	56 Å²	56	32%	0.315	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	153.3	167.4	69.1	0	0	0	0	110.1	V22 D23 S90	V22-S42 CarbonylContact C-O 3.55Å; V22-S42 WeakPolarHBondContact CA-O 3.3Å; D23-S42 PolarHBondContact N-O 2.8Å; D23-S42 PolarHBondContact O-N 3.48Å; S42-S90 CarbonylContact C-O 3.51Å; S42-S90 WeakPolarHBondContact CA-O 3.42Å
43	Y	95.8	Very high	95.8	Very high	17 Å²	17	51.8 Å²	51.8	7%	0.067	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	150.6	178.5	70.7	-92.8	0	0	0	110.9	S21 P49 L51 F85 S90	S21-Y43 CarbonylContact O-C 3.47Å; S21-Y43 VanDerWaalsContact O-CA 3.28Å; S21-Y43 WeakPolarHBondContact O-CA 3.26Å; Y43-P49 HydrophobicContact CD2-CB 4.07Å; Y43-P49 HydrophobicContact CD2-CG 4.31Å; Y43-P49 HydrophobicContact CE1-CG 4.19Å; Y43-P49 HydrophobicContact CE2-CB 3.93Å; Y43-P49 HydrophobicContact CE2-CG 3.72Å; Y43-L51 HydrophobicContact CD1-CD1 3.47Å; Y43-L51 VanDerWaalsContact CD1-CD1 3.47Å; Y43-L51 HydrophobicContact CD1-CD2 4.16Å; Y43-L51 HydrophobicContact CD1-CG 4.44Å; Y43-L51 HydrophobicContact CE1-CD1 3.69Å; Y43-L51 HydrophobicContact CG-CD1 4.13Å; Y43-L51 HydrophobicContact CG-CD2 4.08Å; Y43-F85 HydrophobicContact CE1-CD2 4.33Å; Y43-F85 AromaticContact CE1-CE2 3.69Å; Y43-F85 HydrophobicContact CE1-CE2 3.69Å; Y43-F85 AromaticContact CZ-CE2 3.88Å; Y43-F85 WeakPolarHBondContact OH-CE2 3.29Å; Y43-S90 WeakPolarHBondContact CD1-O 3.18Å; Y43-S90 PolarHBondContact N-O 3.28Å; Y43-S90 WeakPolarHBondContact O-CB 3.43Å
44	S	94.8	Very high	95.8	Very high	69 Å²	69	50.1 Å²	50.1	48%	0.483	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	100.1	170.2	-163.1	0	0	0	0	108.7	Q20 S21	Q20-S44 WeakPolarHBondContact CA-O 3.48Å; S21-S44 PolarHBondContact N-O 2.9Å; S21-S44 PolarHBondContact O-N 2.97Å; S21-S44 VanDerWaalsContact OG-CB 3.31Å; S21-S44 WeakPolarHBondContact OG-CB 3.2Å
45	Y	92.4	Very high	95.8	Very high	73 Å²	73	48 Å²	48	29%	0.286	27%	0.274	S	S	.	.			trans	-156.3	135.7	174.5	-169.6	-143.9	0	0	0	111.2	Q20 A47 A48 P49 L111	Q20-Y45 HydrophobicContact CB-CD2 4.48Å; Q20-Y45 HydrophobicContact CG-CD2 3.5Å; Q20-Y45 VanDerWaalsContact CG-CD2 3.5Å; Q20-Y45 HydrophobicContact CG-CE2 3.68Å; Q20-Y45 HydrophobicContact CG-CG 4.29Å; Q20-Y45 VanDerWaalsContact OE1-CD2 3.28Å; Q20-Y45 VanDerWaalsContact OE1-CE2 3.27Å; Y45-A47 HydrophobicContact CD1-CB 4.28Å; Y45-A47 HydrophobicContact CE1-CB 3.75Å; Y45-A47 HydrophobicContact CE2-CB 4.19Å; Y45-A48 WeakPolarHBondContact CE1-O 3.41Å; Y45-P49 HydrophobicContact CD1-CB 3.98Å; Y45-L111 HydrophobicContact CD1-CD1 4.17Å; Y45-L111 HydrophobicContact CG-CD2 4.34Å
46	S	86.2	Confident	95.8	Very high	115 Å²	115	49.5 Å²	49.5	80%	0.804	27%	0.274	S	S	*	.	S	Bend	trans	-84.7	-17.4	-175	52.9	0	0	0	0	114.2
47	A	88.6	Confident	95.8	Very high	54 Å²	54	46 Å²	46	45%	0.446	25%	0.248	S	C	.	.	S	Bend	trans	-102	-167.8	-179.1	0	0	0	0	0	111.6	Y45 P49	Y45-A47 HydrophobicContact CD1-CB 4.28Å; Y45-A47 HydrophobicContact CE1-CB 3.75Å; Y45-A47 HydrophobicContact CE2-CB 4.19Å; A47-P49 VanDerWaalsContact O-CD 3.27Å; A47-P49 WeakPolarHBondContact O-CD 3.14Å
48	A	89.3	Confident	95.8	Very high	67 Å²	67	50.4 Å²	50.4	55%	0.554	28%	0.277	S	S	*	.			trans	-68.5	115.5	172.2	0	0	0	0	0	109.2	Y45	Y45-A48 WeakPolarHBondContact CE1-O 3.41Å
49	P	93.7	Very high	95.8	Very high	7 Å²	7	50.6 Å²	50.6	5%	0.045	30%	0.303	C	S	.	.			trans	-83.4	138.2	-175.8	36	-36.6	0	0	0	111.2	Y43 Y45 A47 L51 F85 L111	Y43-P49 HydrophobicContact CD2-CB 4.07Å; Y43-P49 HydrophobicContact CD2-CG 4.31Å; Y43-P49 HydrophobicContact CE1-CG 4.19Å; Y43-P49 HydrophobicContact CE2-CB 3.93Å; Y43-P49 HydrophobicContact CE2-CG 3.72Å; Y45-P49 HydrophobicContact CD1-CB 3.98Å; A47-P49 VanDerWaalsContact O-CD 3.27Å; A47-P49 WeakPolarHBondContact O-CD 3.14Å; P49-L51 HydrophobicContact CB-CD1 4.07Å; P49-L51 HydrophobicContact CB-CD2 4.38Å; P49-L51 HydrophobicContact CB-CG 3.95Å; P49-L51 HydrophobicContact CG-CD1 3.95Å; P49-L51 HydrophobicContact CG-CG 4.33Å; P49-F85 HydrophobicContact CG-CE2 3.76Å; P49-F85 HydrophobicContact CG-CZ 4.13Å; P49-L111 HydrophobicContact CB-CD1 3.61Å
50	Y	95.6	Very high	95.8	Very high	101 Å²	101	54.7 Å²	54.7	40%	0.396	32%	0.322	S	S	.	.			trans	-96.2	109.7	163.6	-59.7	-30.3	0	0	0	108.3	F52 Y68 I69 L111 E112	Y50-F52 WeakPolarHBondContact O-CD2 2.97Å; Y50-F52 WeakPolarHBondContact O-CE2 3.27Å; Y50-Y68 WeakPolarHBondContact CA-O 3.19Å; Y50-I69 HydrophobicContact CD1-CB 4.13Å; Y50-I69 HydrophobicContact CD1-CG1 4.2Å; Y50-I69 HydrophobicContact CD1-CG2 3.78Å; Y50-I69 HydrophobicContact CE1-CB 4.31Å; Y50-I69 HydrophobicContact CE1-CG2 3.47Å; Y50-I69 VanDerWaalsContact CE1-CG2 3.47Å; Y50-L111 WeakPolarHBondContact O-CA 3.27Å; Y50-E112 PolarHBondContact O-N 3.48Å; Y50-E112 VanDerWaalsContact O-N 3.1Å
51	L	97.8	Very high	95.8	Very high	0 Å²	0	53.3 Å²	53.3	0%	0	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	141.8	-172.4	-65.6	163.8	0	0	0	110.6	V22 Y43 P49 K67 Y68 F85 F92 A110 L111	V22-L51 HydrophobicContact CG1-CD2 4.35Å; Y43-L51 HydrophobicContact CD1-CD1 3.47Å; Y43-L51 VanDerWaalsContact CD1-CD1 3.47Å; Y43-L51 HydrophobicContact CD1-CD2 4.16Å; Y43-L51 HydrophobicContact CD1-CG 4.44Å; Y43-L51 HydrophobicContact CE1-CD1 3.69Å; Y43-L51 HydrophobicContact CG-CD1 4.13Å; Y43-L51 HydrophobicContact CG-CD2 4.08Å; P49-L51 HydrophobicContact CB-CD1 4.07Å; P49-L51 HydrophobicContact CB-CD2 4.38Å; P49-L51 HydrophobicContact CB-CG 3.95Å; P49-L51 HydrophobicContact CG-CD1 3.95Å; P49-L51 HydrophobicContact CG-CG 4.33Å; L51-K67 CarbonylContact O-C 3.45Å; L51-K67 WeakPolarHBondContact O-CA 3.3Å; L51-K67 WeakPolarHBondContact O-CB 3.29Å; L51-Y68 PolarHBondContact N-O 2.82Å; L51-Y68 PolarHBondContact O-N 3.4Å; L51-F85 HydrophobicContact CD1-CD2 3.9Å; L51-F85 HydrophobicContact CD1-CE2 4.01Å; L51-F92 HydrophobicContact CB-CB 4.37Å; L51-F92 HydrophobicContact CB-CD1 3.46Å; L51-F92 VanDerWaalsContact CB-CD1 3.46Å; L51-F92 HydrophobicContact CB-CE1 3.75Å; L51-F92 HydrophobicContact CB-CG 3.95Å; L51-F92 HydrophobicContact CB-CZ 4.49Å; L51-F92 HydrophobicContact CD1-CB 3.71Å; L51-F92 HydrophobicContact CD1-CD1 4.39Å; L51-F92 HydrophobicContact CD1-CG 4.06Å; L51-F92 HydrophobicContact CG-CD1 4.45Å; L51-A110 WeakPolarHBondContact CA-O 3.35Å; L51-L111 HydrophobicContact CD2-CB 3.96Å; L51-L111 HydrophobicContact CD2-CD1 3.82Å; L51-L111 HydrophobicContact CD2-CG 4.42Å; L51-L111 HydrophobicContact CG-CD1 4.43Å
52	F	98.2	Very high	95.8	Very high	25 Å²	25	57.5 Å²	57.5	11%	0.11	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	148.5	-173.5	-55.8	-102.3	0	0	0	109.9	Y50 Y54 F64 L66 K67 C109 A110 E112	Y50-F52 WeakPolarHBondContact O-CD2 2.97Å; Y50-F52 WeakPolarHBondContact O-CE2 3.27Å; F52-Y54 HydrophobicContact CB-CD2 4.22Å; F52-Y54 HydrophobicContact CB-CE2 3.54Å; F52-Y54 HydrophobicContact CG-CE2 4.3Å; F52-F64 AromaticContact CD1-CE2 3.94Å; F52-F64 HydrophobicContact CD1-CE2 3.94Å; F52-L66 WeakPolarHBondContact CA-O 3.23Å; F52-K67 HydrophobicContact CD1-CB 3.54Å; F52-K67 HydrophobicContact CD1-CD 4.25Å; F52-K67 HydrophobicContact CE1-CB 3.82Å; F52-K67 HydrophobicContact CE1-CD 3.76Å; F52-K67 HydrophobicContact CE1-CG 4.45Å; F52-K67 HydrophobicContact CG-CB 4.21Å; F52-C109 CarbonylContact O-C 3.52Å; F52-C109 WeakPolarHBondContact O-CA 3.27Å; F52-A110 HydrophobicContact CB-CB 4.36Å; F52-A110 PolarHBondContact N-O 2.72Å; F52-A110 PolarHBondContact O-N 2.77Å; F52-E112 HydrophobicContact CE2-CB 3.91Å
53	W	98.5	Very high	95.8	Very high	0 Å²	0	58 Å²	58	0%	0	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	137.5	161.9	-81.8	97.5	0	0	0	110.1	Q24 L39 C41 L65 L66 F92 L94 F108 C109	Q24-W53 HydrophobicContact CG-CH2 4.39Å; L39-W53 HydrophobicContact CB-CH2 3.97Å; L39-W53 HydrophobicContact CB-CZ2 4.48Å; C41-W53 HydrophobicContact CB-CH2 4.09Å; C41-W53 HydrophobicContact CB-CZ2 3.42Å; C41-W53 VanDerWaalsContact CB-CZ2 3.42Å; W53-L65 HydrophobicContact CB-CB 4.3Å; W53-L65 HydrophobicContact CB-CD2 4.33Å; W53-L65 VanDerWaalsContact O-CB 3.25Å; W53-L65 WeakPolarHBondContact O-CB 3.33Å; W53-L65 PolarHBondContact O-N 2.83Å; W53-L66 HydrophobicContact CB-CD1 3.84Å; W53-L66 HydrophobicContact CB-CG 4.22Å; W53-L66 HydrophobicContact CG-CD1 4.15Å; W53-L66 PolarHBondContact N-O 2.9Å; W53-L66 PolarHBondContact O-N 3.01Å; W53-F92 AromaticContact CD1-CD1 3.53Å; W53-F92 AromaticContact CD1-CE1 3.41Å; W53-F92 VanDerWaalsContact CD1-CE1 3.41Å; W53-F92 AromaticContact NE1-CD1 3.55Å; W53-F92 AromaticContact NE1-CE1 3.94Å; W53-F92 PolarHBondContact NE1-O 3.15Å; W53-L94 HydrophobicContact CB-CD1 4.17Å; W53-L94 HydrophobicContact CD2-CB 3.85Å; W53-L94 HydrophobicContact CD2-CD1 4.39Å; W53-L94 HydrophobicContact CD2-CD2 4.08Å; W53-L94 HydrophobicContact CD2-CG 4.34Å; W53-L94 HydrophobicContact CE3-CB 4.38Å; W53-L94 HydrophobicContact CE3-CD2 4.05Å; W53-L94 HydrophobicContact CG-CB 4.2Å; W53-L94 HydrophobicContact CG-CD1 3.94Å; W53-L94 HydrophobicContact CG-CD2 4.35Å; W53-L94 HydrophobicContact CG-CG 4.4Å; W53-L94 HydrophobicContact CH2-CB 4.34Å; W53-L94 HydrophobicContact CZ2-CB 3.8Å; W53-F108 CarbonylContact C-O 3.47Å; W53-F108 WeakPolarHBondContact CA-O 3.49Å; W53-F108 VanDerWaalsContact CE3-C 3.41Å; W53-C109 HydrophobicContact CD2-CB 4.15Å; W53-C109 HydrophobicContact CE3-CB 4.16Å; W53-C109 HydrophobicContact CH2-CB 3.9Å; W53-C109 HydrophobicContact CZ2-CB 3.88Å; W53-C109 HydrophobicContact CZ3-CB 4.03Å
54	Y	98.5	Very high	95.9	Very high	66 Å²	66	62 Å²	62	26%	0.259	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	155	172.7	-62	-93.6	0	0	0	110	F52 L62 Q63 F64 Y107 F108 A110	F52-Y54 HydrophobicContact CB-CD2 4.22Å; F52-Y54 HydrophobicContact CB-CE2 3.54Å; F52-Y54 HydrophobicContact CG-CE2 4.3Å; Y54-L62 HydrophobicContact CD1-CD2 4.16Å; Y54-L62 HydrophobicContact CD1-CG 4.16Å; Y54-L62 HydrophobicContact CG-CD2 4.13Å; Y54-L62 HydrophobicContact CG-CG 4.22Å; Y54-Q63 CarbonylContact C-O 3.53Å; Y54-Q63 WeakPolarHBondContact CA-O 3.37Å; Y54-Q63 WeakPolarHBondContact CB-O 3.32Å; Y54-F64 HydrophobicContact CD1-CB 4.25Å; Y54-F64 HydrophobicContact CD1-CD2 4.43Å; Y54-F64 HydrophobicContact CE1-CB 4.12Å; Y54-F64 AromaticContact CE1-CD2 3.97Å; Y54-F64 HydrophobicContact CE1-CD2 3.97Å; Y54-Y107 WeakPolarHBondContact O-CA 3.36Å; Y54-F108 PolarHBondContact N-O 3.18Å; Y54-F108 PolarHBondContact O-N 3.24Å; Y54-A110 HydrophobicContact CD2-CB 4.4Å; Y54-A110 HydrophobicContact CE2-CB 4.08Å
55	V	98.4	Very high	96.1	Very high	2 Å²	2	58.7 Å²	58.7	1%	0.012	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	139.6	176.6	62.9	0	0	0	0	110	Y57 Q63 L65 A105 K106 Y107	V55-Y57 HydrophobicContact CB-CE2 4.41Å; V55-Y57 HydrophobicContact CG1-CD2 4.43Å; V55-Y57 HydrophobicContact CG1-CE2 3.74Å; V55-Y57 HydrophobicContact CG2-CD2 4.21Å; V55-Y57 HydrophobicContact CG2-CE1 4.28Å; V55-Y57 HydrophobicContact CG2-CE2 3.73Å; V55-Q63 HydrophobicContact CG1-CB 4.02Å; V55-Q63 PolarHBondContact N-O 2.82Å; V55-Q63 PolarHBondContact O-N 2.88Å; V55-L65 HydrophobicContact CG1-CD1 4.18Å; V55-A105 HydrophobicContact CG2-CB 3.5Å; V55-K106 CarbonylContact C-O 3.54Å; V55-K106 WeakPolarHBondContact CA-O 3.47Å; V55-Y107 HydrophobicContact CB-CD1 3.97Å; V55-Y107 HydrophobicContact CB-CE1 3.83Å; V55-Y107 HydrophobicContact CG2-CD1 3.92Å; V55-Y107 HydrophobicContact CG2-CE1 3.49Å; V55-Y107 VanDerWaalsContact CG2-CE1 3.49Å; V55-Y107 HydrophobicContact CG2-CE2 4.34Å
56	Q	98.4	Very high	96.4	Very high	69 Å²	69	55.4 Å²	55.4	32%	0.322	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	106	172.7	-171.5	-178.3	34.7	0	0	109.5	Q60 L62 K106 F108	Q56-Q60 WeakPolarHBondContact CG-O 3.46Å; Q56-Q60 PolarHBondContact NE2-O 2.89Å; Q56-L62 HydrophobicContact CB-CD1 4.02Å; Q56-K106 HydrophobicContact CB-CB 4.39Å; Q56-K106 PolarHBondContact N-O 2.71Å; Q56-K106 PolarHBondContact O-N 2.86Å; Q56-F108 HydrophobicContact CB-CE2 3.82Å
57	Y	97.8	Very high	96.9	Very high	16 Å²	16	54.7 Å²	54.7	6%	0.063	31%	0.314	C	S	.	.			trans	-74.7	154.5	173.7	-66.7	-78.1	0	0	0	111.3	V55 G59 Q60 K79 S102 A105	V55-Y57 HydrophobicContact CB-CE2 4.41Å; V55-Y57 HydrophobicContact CG1-CD2 4.43Å; V55-Y57 HydrophobicContact CG1-CE2 3.74Å; V55-Y57 HydrophobicContact CG2-CD2 4.21Å; V55-Y57 HydrophobicContact CG2-CE1 4.28Å; V55-Y57 HydrophobicContact CG2-CE2 3.73Å; Y57-G59 PolarHBondContact O-N 2.82Å; Y57-Q60 PolarHBondContact O-N 3.39Å; Y57-K79 VanDerWaalsContact OH-CD 3.26Å; Y57-K79 WeakPolarHBondContact OH-CD 3.28Å; Y57-K79 PolarHBondContact OH-NZ 2.03Å; Y57-S102 VanDerWaalsContact CE1-O 3.26Å; Y57-S102 WeakPolarHBondContact CE1-O 3.49Å; Y57-A105 HydrophobicContact CD1-CB 3.63Å; Y57-A105 HydrophobicContact CE1-CB 3.76Å; Y57-A105 HydrophobicContact CG-CB 4.24Å
58	P	97.9	Very high	97.3	Very high	109 Å²	109	53.4 Å²	53.4	71%	0.708	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.6	126.1	174.4	-27.2	35.4	0	0	0	111.9	Q60	P58-Q60 PolarHBondContact O-N 2.94Å
59	G	97.9	Very high	97.5	Very high	94 Å²	94	53 Å²	53	97%	0.969	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	72.4	5.1	179.2	0	0	0	0	0	115.9	Y57	Y57-G59 PolarHBondContact O-N 2.82Å
60	Q	98.1	Very high	97.3	Very high	100 Å²	100	57.9 Å²	57.9	47%	0.467	32%	0.316	S	S	.	.	S	Bend	trans	-112.1	161.1	-179.8	-59.1	-175.7	28.7	0	0	111.8	Q56 Y57 P58	Q56-Q60 WeakPolarHBondContact CG-O 3.46Å; Q56-Q60 PolarHBondContact NE2-O 2.89Å; Y57-Q60 PolarHBondContact O-N 3.39Å; P58-Q60 PolarHBondContact O-N 2.94Å
61	S	98.1	Very high	97	Very high	89 Å²	89	55.9 Å²	55.9	62%	0.622	33%	0.326	S	S	*	.			trans	-70	164.2	170.9	61.3	0	0	0	0	111.5	Q63	S61-Q63 PolarHBondContact O-N 2.92Å
62	L	98.1	Very high	96.6	Very high	89 Å²	89	62.2 Å²	62.2	47%	0.466	36%	0.36	S	S	.	.			trans	-61	133.4	171.3	-166.9	68.5	0	0	0	110	Y54 Q56 F108	Y54-L62 HydrophobicContact CD1-CD2 4.16Å; Y54-L62 HydrophobicContact CD1-CG 4.16Å; Y54-L62 HydrophobicContact CG-CD2 4.13Å; Y54-L62 HydrophobicContact CG-CG 4.22Å; Q56-L62 HydrophobicContact CB-CD1 4.02Å; L62-F108 HydrophobicContact CD1-CD2 3.47Å; L62-F108 VanDerWaalsContact CD1-CD2 3.47Å; L62-F108 HydrophobicContact CD1-CE2 3.8Å; L62-F108 HydrophobicContact CD1-CG 4.33Å
63	Q	98.2	Very high	96.5	Very high	57 Å²	57	65 Å²	65	27%	0.266	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	140.6	-177.8	-68.3	169.5	33.7	0	0	110.1	Y54 V55 S61	Y54-Q63 CarbonylContact C-O 3.53Å; Y54-Q63 WeakPolarHBondContact CA-O 3.37Å; Y54-Q63 WeakPolarHBondContact CB-O 3.32Å; V55-Q63 HydrophobicContact CG1-CB 4.02Å; V55-Q63 PolarHBondContact N-O 2.82Å; V55-Q63 PolarHBondContact O-N 2.88Å; S61-Q63 PolarHBondContact O-N 2.92Å
64	F	98	Very high	96.4	Very high	99 Å²	99	67.7 Å²	67.7	43%	0.434	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72	133.7	174.6	175.2	-107.8	0	0	0	111.1	F52 Y54 L66 K67	F52-F64 AromaticContact CD1-CE2 3.94Å; F52-F64 HydrophobicContact CD1-CE2 3.94Å; Y54-F64 HydrophobicContact CD1-CB 4.25Å; Y54-F64 HydrophobicContact CD1-CD2 4.43Å; Y54-F64 HydrophobicContact CE1-CB 4.12Å; Y54-F64 AromaticContact CE1-CD2 3.97Å; Y54-F64 HydrophobicContact CE1-CD2 3.97Å; F64-L66 WeakPolarHBondContact CE2-O 3.47Å; F64-L66 VanDerWaalsContact CZ-CA 3.5Å; F64-K67 HydrophobicContact CE2-CB 3.95Å; F64-K67 HydrophobicContact CE2-CG 4.45Å; F64-K67 HydrophobicContact CZ-CB 3.87Å; F64-K67 HydrophobicContact CZ-CD 4.12Å; F64-K67 HydrophobicContact CZ-CG 3.93Å
65	L	97.9	Very high	96.4	Very high	1 Å²	1	65.8 Å²	65.8	1%	0.005	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	-55.1	-179.2	-165.6	67.1	0	0	0	112	W53 V55 G77 T78 F81 L94 Y107	W53-L65 HydrophobicContact CB-CB 4.3Å; W53-L65 HydrophobicContact CB-CD2 4.33Å; W53-L65 VanDerWaalsContact O-CB 3.25Å; W53-L65 WeakPolarHBondContact O-CB 3.33Å; W53-L65 PolarHBondContact O-N 2.83Å; V55-L65 HydrophobicContact CG1-CD1 4.18Å; L65-G77 VanDerWaalsContact O-CA 3.23Å; L65-G77 WeakPolarHBondContact O-CA 3.25Å; L65-T78 PolarHBondContact O-N 3.17Å; L65-T78 VanDerWaalsContact O-N 3.12Å; L65-F81 HydrophobicContact CD1-CB 4.2Å; L65-F81 HydrophobicContact CD1-CD2 3.77Å; L65-F81 HydrophobicContact CD1-CE2 4.47Å; L65-F81 HydrophobicContact CD1-CG 4.1Å; L65-F81 HydrophobicContact CD2-CB 3.9Å; L65-F81 HydrophobicContact CD2-CD1 4.05Å; L65-F81 HydrophobicContact CD2-CD2 4.18Å; L65-F81 HydrophobicContact CD2-CG 3.77Å; L65-F81 HydrophobicContact CG-CB 4.06Å; L65-F81 HydrophobicContact CG-CD2 4.43Å; L65-F81 HydrophobicContact CG-CG 4.25Å; L65-L94 HydrophobicContact CD2-CD1 3.7Å; L65-L94 HydrophobicContact CD2-CD2 3.62Å; L65-L94 HydrophobicContact CD2-CG 4.29Å; L65-Y107 HydrophobicContact CD2-CD1 4.19Å; L65-Y107 HydrophobicContact CD2-CE1 4.06Å
66	L	98.2	Very high	96.3	Very high	4 Å²	4	74.2 Å²	74.2	2%	0.021	43%	0.427	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-166.5	168.2	-179.6	51.9	78.6	0	0	0	112.1	F52 W53 F64 V75 F81 A83 F92 L94	F52-L66 WeakPolarHBondContact CA-O 3.23Å; W53-L66 HydrophobicContact CB-CD1 3.84Å; W53-L66 HydrophobicContact CB-CG 4.22Å; W53-L66 HydrophobicContact CG-CD1 4.15Å; W53-L66 PolarHBondContact N-O 2.9Å; W53-L66 PolarHBondContact O-N 3.01Å; F64-L66 WeakPolarHBondContact CE2-O 3.47Å; F64-L66 VanDerWaalsContact CZ-CA 3.5Å; L66-V75 HydrophobicContact CD1-CG2 3.99Å; L66-F81 HydrophobicContact CD2-CB 4.38Å; L66-A83 HydrophobicContact CD1-CB 3.51Å; L66-A83 HydrophobicContact CD2-CB 3.97Å; L66-A83 HydrophobicContact CG-CB 4.41Å; L66-F92 HydrophobicContact CD1-CE1 3.82Å; L66-F92 HydrophobicContact CD1-CZ 3.55Å; L66-L94 HydrophobicContact CD1-CD1 4.34Å; L66-L94 HydrophobicContact CD2-CD1 3.73Å; L66-L94 HydrophobicContact CG-CD1 4.19Å
67	K	97.3	Very high	96.2	Very high	100 Å²	100	72.1 Å²	72.1	44%	0.435	42%	0.424	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.1	156	176.1	69.2	-175.7	-178.1	176.4	0	113	L51 F52 F64 I69	L51-K67 CarbonylContact O-C 3.45Å; L51-K67 WeakPolarHBondContact O-CA 3.3Å; L51-K67 WeakPolarHBondContact O-CB 3.29Å; F52-K67 HydrophobicContact CD1-CB 3.54Å; F52-K67 HydrophobicContact CD1-CD 4.25Å; F52-K67 HydrophobicContact CE1-CB 3.82Å; F52-K67 HydrophobicContact CE1-CD 3.76Å; F52-K67 HydrophobicContact CE1-CG 4.45Å; F52-K67 HydrophobicContact CG-CB 4.21Å; F64-K67 HydrophobicContact CE2-CB 3.95Å; F64-K67 HydrophobicContact CE2-CG 4.45Å; F64-K67 HydrophobicContact CZ-CB 3.87Å; F64-K67 HydrophobicContact CZ-CD 4.12Å; F64-K67 HydrophobicContact CZ-CG 3.93Å; K67-I69 HydrophobicContact CD-CD1 3.92Å; K67-I69 HydrophobicContact CD-CG1 4.23Å; K67-I69 HydrophobicContact CG-CG1 4.46Å
68	Y	97.3	Very high	96.2	Very high	26 Å²	26	74.8 Å²	74.8	10%	0.102	44%	0.442	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	132.4	165.5	176	-92.3	0	0	0	109.4	Y50 L51 D72 V75 F85 F92	Y50-Y68 WeakPolarHBondContact CA-O 3.19Å; L51-Y68 PolarHBondContact N-O 2.82Å; L51-Y68 PolarHBondContact O-N 3.4Å; Y68-D72 VanDerWaalsContact CE2-O 3.27Å; Y68-D72 WeakPolarHBondContact CE2-O 3.31Å; Y68-V75 HydrophobicContact CD2-CG1 4.09Å; Y68-F85 HydrophobicContact CD1-CB 4.31Å; Y68-F85 HydrophobicContact CD1-CD1 4.21Å; Y68-F85 AromaticContact CD1-CD2 3.84Å; Y68-F85 HydrophobicContact CD1-CD2 3.84Å; Y68-F85 HydrophobicContact CD1-CE2 4.17Å; Y68-F85 AromaticContact CD1-CG 3.85Å; Y68-F85 HydrophobicContact CD1-CG 3.85Å; Y68-F85 HydrophobicContact CD1-CZ 4.48Å; Y68-F85 HydrophobicContact CD2-CB 3.72Å; Y68-F85 HydrophobicContact CD2-CD1 4.23Å; Y68-F85 AromaticContact CD2-CG 3.98Å; Y68-F85 HydrophobicContact CD2-CG 3.98Å; Y68-F85 HydrophobicContact CE1-CB 4.47Å; Y68-F85 AromaticContact CE1-CD1 3.56Å; Y68-F85 HydrophobicContact CE1-CD1 3.56Å; Y68-F85 AromaticContact CE1-CD2 3.87Å; Y68-F85 HydrophobicContact CE1-CD2 3.87Å; Y68-F85 AromaticContact CE1-CE1 3.59Å; Y68-F85 HydrophobicContact CE1-CE1 3.59Å; Y68-F85 AromaticContact CE1-CE2 3.9Å; Y68-F85 HydrophobicContact CE1-CE2 3.9Å; Y68-F85 AromaticContact CE1-CG 3.69Å; Y68-F85 HydrophobicContact CE1-CG 3.69Å; Y68-F85 AromaticContact CE1-CZ 3.76Å; Y68-F85 HydrophobicContact CE1-CZ 3.76Å; Y68-F85 HydrophobicContact CE2-CB 3.9Å; Y68-F85 AromaticContact CE2-CD1 3.59Å; Y68-F85 HydrophobicContact CE2-CD1 3.59Å; Y68-F85 HydrophobicContact CE2-CE1 4.3Å; Y68-F85 AromaticContact CE2-CG 3.83Å; Y68-F85 HydrophobicContact CE2-CG 3.83Å; Y68-F85 HydrophobicContact CG-CB 3.94Å; Y68-F85 HydrophobicContact CG-CD2 4.28Å; Y68-F85 AromaticContact CG-CG 3.99Å; Y68-F85 HydrophobicContact CG-CG 3.99Å; Y68-F85 AromaticContact CZ-CD1 3.21Å; Y68-F85 AromaticContact CZ-CE1 3.47Å; Y68-F85 VanDerWaalsContact CZ-CE1 3.47Å; Y68-F85 AromaticContact CZ-CG 3.68Å; Y68-F85 WeakPolarHBondContact OH-CD1 3.39Å; Y68-F85 VanDerWaalsContact OH-CE1 3.28Å; Y68-F85 WeakPolarHBondContact OH-CE1 3.38Å; Y68-F92 HydrophobicContact CG-CE2 4.49Å
69	I	92.8	Very high	96	Very high	60 Å²	60	74.8 Å²	74.8	31%	0.308	43%	0.431	S	S	.	.			trans	-122.8	-61.1	175.8	-64.9	-178.9	0	0	0	108.8	Y50 K67	Y50-I69 HydrophobicContact CD1-CB 4.13Å; Y50-I69 HydrophobicContact CD1-CG1 4.2Å; Y50-I69 HydrophobicContact CD1-CG2 3.78Å; Y50-I69 HydrophobicContact CE1-CB 4.31Å; Y50-I69 HydrophobicContact CE1-CG2 3.47Å; Y50-I69 VanDerWaalsContact CE1-CG2 3.47Å; K67-I69 HydrophobicContact CD-CD1 3.92Å; K67-I69 HydrophobicContact CD-CG1 4.23Å; K67-I69 HydrophobicContact CG-CG1 4.46Å
70	T	91.1	Very high	96	Very high	109 Å²	109	73.1 Å²	73.1	67%	0.669	41%	0.414	S	S	*	.	S	Bend	trans	-156.8	161.1	177.5	53.6	0	0	0	0	109.4
71	G	89.6	Confident	96	Very high	59 Å²	59	68.5 Å²	68.5	61%	0.608	39%	0.392	S	S	*	.	S	Bend	trans	98.3	-130.8	173.8	0	0	0	0	0	112
72	D	89.4	Confident	96	Very high	133 Å²	133	67.8 Å²	67.8	71%	0.711	38%	0.379	S	S	*	.			trans	-55.6	138	-171.3	-63.9	-28.8	0	0	0	112.8	Y68 V74	Y68-D72 VanDerWaalsContact CE2-O 3.27Å; Y68-D72 WeakPolarHBondContact CE2-O 3.31Å; D72-V74 VanDerWaalsContact C-N 3.3Å; D72-V74 PolarHBondContact O-N 3.09Å
73	T	94.1	Very high	96.1	Very high	82 Å²	82	63.6 Å²	63.6	50%	0.503	36%	0.357	S	S	.	.	S	Bend	trans	-70.4	-28.5	178.4	52.3	0	0	0	0	112.1	E84 F85	T73-E84 CarbonylContact O-C 3.5Å; T73-E84 WeakPolarHBondContact O-CA 3.35Å; T73-F85 PolarHBondContact O-N 2.8Å
74	V	97.7	Very high	96	Very high	58 Å²	58	62.6 Å²	62.6	35%	0.352	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	120.4	176.4	-178.6	0	0	0	0	109.2	D72 E82 A83 E84	D72-V74 VanDerWaalsContact C-N 3.3Å; D72-V74 PolarHBondContact O-N 3.09Å; V74-E82 HydrophobicContact CG1-CB 4.28Å; V74-A83 WeakPolarHBondContact CA-O 3.4Å; V74-E84 HydrophobicContact CG2-CB 4.37Å; V74-E84 HydrophobicContact CG2-CG 4.02Å
75	V	97.9	Very high	96	Very high	25 Å²	25	58.5 Å²	58.5	15%	0.152	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	136.7	176.8	-60.8	0	0	0	0	110.1	L66 Y68 E82 A83 F92	L66-V75 HydrophobicContact CD1-CG2 3.99Å; Y68-V75 HydrophobicContact CD2-CG1 4.09Å; V75-E82 CarbonylContact O-C 3.46Å; V75-E82 WeakPolarHBondContact O-CA 3.2Å; V75-E82 WeakPolarHBondContact O-CB 3.04Å; V75-A83 HydrophobicContact CG2-CB 4.11Å; V75-A83 PolarHBondContact N-O 2.92Å; V75-A83 PolarHBondContact O-N 2.89Å; V75-F92 HydrophobicContact CG2-CE2 3.73Å; V75-F92 HydrophobicContact CG2-CZ 3.72Å
76	K	97.6	Very high	95.9	Very high	179 Å²	179	63.9 Å²	63.9	78%	0.778	36%	0.355	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-96	136.5	176.6	-63.8	-175.1	179.5	-179.3	0	110.3	E82	K76-E82 HydrophobicContact CG-CB 4.5Å
77	G	96.1	Very high	95.7	Very high	26 Å²	26	71.4 Å²	71.4	27%	0.268	39%	0.387	S	S	.	.			trans	-109.6	-164.7	177.2	0	0	0	0	0	113.6	L65 F81	L65-G77 VanDerWaalsContact O-CA 3.23Å; L65-G77 WeakPolarHBondContact O-CA 3.25Å; G77-F81 WeakPolarHBondContact CA-O 3.2Å; G77-F81 PolarHBondContact N-O 2.99Å
78	T	96.6	Very high	95.5	Very high	71 Å²	71	71.8 Å²	71.8	44%	0.436	40%	0.403	S	S	.	.	G	3₁₀ helix	trans	-78	161.2	172.6	66.8	0	0	0	0	111.1	L65 G80 F81	L65-T78 PolarHBondContact O-N 3.17Å; L65-T78 VanDerWaalsContact O-N 3.12Å; T78-G80 PolarHBondContact O-N 3.12Å; T78-G80 VanDerWaalsContact O-N 3.09Å; T78-F81 PolarHBondContact O-N 3.09Å; T78-F81 VanDerWaalsContact O-N 3.17Å
79	K	94.8	Very high	95.3	Very high	109 Å²	109	75.4 Å²	75.4	47%	0.474	42%	0.424	S	S	.	.	G	3₁₀ helix	trans	56.5	27.3	175	-53.3	-175.4	-179	-169.9	0	115.1	Y57 F81 K96	Y57-K79 VanDerWaalsContact OH-CD 3.26Å; Y57-K79 WeakPolarHBondContact OH-CD 3.28Å; Y57-K79 PolarHBondContact OH-NZ 2.03Å; K79-F81 VanDerWaalsContact C-N 3.26Å; K79-F81 HydrophobicContact CB-CD2 4.06Å; K79-F81 HydrophobicContact CB-CE2 4.27Å; K79-F81 PolarHBondContact O-N 2.94Å; K79-K96 WeakPolarHBondContact O-CE 3.5Å; K79-K96 PolarHBondContact O-NZ 2.91Å
80	G	97.2	Very high	95.5	Very high	59 Å²	59	74.8 Å²	74.8	61%	0.608	42%	0.424	S	S	*	.	G	3₁₀ helix	trans	74.8	13.3	177.3	0	0	0	0	0	114.5	T78	T78-G80 PolarHBondContact O-N 3.12Å; T78-G80 VanDerWaalsContact O-N 3.09Å
81	F	98.5	Very high	95.8	Very high	3 Å²	3	70.1 Å²	70.1	1%	0.013	40%	0.397	C	S	.	.			trans	-77.3	147.7	169.3	-75	-89	0	0	0	110.7	L37 L65 L66 G77 T78 K79 L94 K96 D103 Y107	L37-F81 HydrophobicContact CD2-CE1 3.83Å; L37-F81 HydrophobicContact CD2-CZ 4.47Å; L65-F81 HydrophobicContact CD1-CB 4.2Å; L65-F81 HydrophobicContact CD1-CD2 3.77Å; L65-F81 HydrophobicContact CD1-CE2 4.47Å; L65-F81 HydrophobicContact CD1-CG 4.1Å; L65-F81 HydrophobicContact CD2-CB 3.9Å; L65-F81 HydrophobicContact CD2-CD1 4.05Å; L65-F81 HydrophobicContact CD2-CD2 4.18Å; L65-F81 HydrophobicContact CD2-CG 3.77Å; L65-F81 HydrophobicContact CG-CB 4.06Å; L65-F81 HydrophobicContact CG-CD2 4.43Å; L65-F81 HydrophobicContact CG-CG 4.25Å; L66-F81 HydrophobicContact CD2-CB 4.38Å; G77-F81 WeakPolarHBondContact CA-O 3.2Å; G77-F81 PolarHBondContact N-O 2.99Å; T78-F81 PolarHBondContact O-N 3.09Å; T78-F81 VanDerWaalsContact O-N 3.17Å; K79-F81 VanDerWaalsContact C-N 3.26Å; K79-F81 HydrophobicContact CB-CD2 4.06Å; K79-F81 HydrophobicContact CB-CE2 4.27Å; K79-F81 PolarHBondContact O-N 2.94Å; F81-L94 HydrophobicContact CB-CD1 4.14Å; F81-L94 HydrophobicContact CD1-CD1 4.08Å; F81-L94 HydrophobicContact CD1-CD2 3.82Å; F81-L94 HydrophobicContact CD1-CG 3.85Å; F81-L94 HydrophobicContact CE1-CD2 4.13Å; F81-K96 HydrophobicContact CD1-CB 3.72Å; F81-K96 HydrophobicContact CD1-CD 4.07Å; F81-K96 HydrophobicContact CD1-CG 4.47Å; F81-K96 HydrophobicContact CD2-CD 3.89Å; F81-K96 HydrophobicContact CE1-CB 3.68Å; F81-K96 HydrophobicContact CE1-CD 3.72Å; F81-K96 HydrophobicContact CE1-CG 4.33Å; F81-K96 HydrophobicContact CE2-CD 3.51Å; F81-K96 HydrophobicContact CG-CB 4.36Å; F81-K96 HydrophobicContact CG-CD 4.15Å; F81-K96 HydrophobicContact CZ-CB 4.25Å; F81-K96 HydrophobicContact CZ-CD 3.38Å; F81-K96 HydrophobicContact CZ-CG 4.44Å; F81-D103 WeakPolarHBondContact CE2-OD1 3.44Å; F81-D103 HydrophobicContact CZ-CB 4.06Å; F81-Y107 AromaticContact CE1-CE1 3.83Å; F81-Y107 HydrophobicContact CE1-CE1 3.83Å; F81-Y107 HydrophobicContact CE2-CE1 4.45Å; F81-Y107 AromaticContact CZ-CE1 3.82Å; F81-Y107 HydrophobicContact CZ-CE1 3.82Å; F81-Y107 AromaticContact CZ-CZ 3.74Å; F81-Y107 WeakPolarHBondContact CZ-OH 3.44Å
82	E	98.5	Very high	96.2	Very high	74 Å²	74	67.3 Å²	67.3	35%	0.346	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137	160.1	168.7	62	-176.7	-158.8	0	0	109.4	V74 V75 K76 K95	V74-E82 HydrophobicContact CG1-CB 4.28Å; V75-E82 CarbonylContact O-C 3.46Å; V75-E82 WeakPolarHBondContact O-CA 3.2Å; V75-E82 WeakPolarHBondContact O-CB 3.04Å; K76-E82 HydrophobicContact CG-CB 4.5Å; E82-K95 HydrophobicContact CG-CB 4.14Å; E82-K95 PolarHBondContact N-O 2.99Å; E82-K95 PolarHBondContact O-N 3.31Å; E82-K95 VanDerWaalsContact O-O 3.12Å
83	A	98.5	Very high	96.6	Very high	1 Å²	1	62.2 Å²	62.2	1%	0.008	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	144.7	173	0	0	0	0	0	110.8	L66 V74 V75 F92 N93 L94	L66-A83 HydrophobicContact CD1-CB 3.51Å; L66-A83 HydrophobicContact CD2-CB 3.97Å; L66-A83 HydrophobicContact CG-CB 4.41Å; V74-A83 WeakPolarHBondContact CA-O 3.4Å; V75-A83 HydrophobicContact CG2-CB 4.11Å; V75-A83 PolarHBondContact N-O 2.92Å; V75-A83 PolarHBondContact O-N 2.89Å; A83-F92 HydrophobicContact CB-CD2 3.95Å; A83-F92 HydrophobicContact CB-CE1 4.18Å; A83-F92 HydrophobicContact CB-CE2 3.46Å; A83-F92 VanDerWaalsContact CB-CE2 3.46Å; A83-F92 HydrophobicContact CB-CG 4.49Å; A83-F92 HydrophobicContact CB-CZ 3.61Å; A83-N93 WeakPolarHBondContact CA-O 3.38Å; A83-N93 WeakPolarHBondContact CB-O 3.48Å; A83-L94 HydrophobicContact CB-CD1 4.24Å
84	E	97.7	Very high	96.8	Very high	36 Å²	36	58.3 Å²	58.3	17%	0.168	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	111.5	-178.3	-171.4	-177.2	174	0	0	110.4	T73 V74 R86 F92 N93 K95	T73-E84 CarbonylContact O-C 3.5Å; T73-E84 WeakPolarHBondContact O-CA 3.35Å; V74-E84 HydrophobicContact CG2-CB 4.37Å; V74-E84 HydrophobicContact CG2-CG 4.02Å; E84-R86 HydrophobicContact CG-CG 4.15Å; E84-R86 IonicContact OE1-CZ 3.05Å; E84-R86 IonicContact OE1-NE 3.1Å; E84-R86 PolarHBondContact OE1-NE 2.78Å; E84-R86 IonicContact OE1-NH2 2.72Å; E84-R86 PolarHBondContact OE1-NH2 2.86Å; E84-R86 IonicContact OE2-CZ 3.16Å; E84-R86 IonicContact OE2-NE 2.77Å; E84-R86 IonicContact OE2-NH2 3.58Å; E84-R86 PolarHBondContact OE2-NH2 2.83Å; E84-F92 WeakPolarHBondContact O-CA 3.38Å; E84-N93 PolarHBondContact N-O 2.82Å; E84-N93 PolarHBondContact O-N 3.22Å; E84-K95 IonicContact OE2-NZ 3.31Å; E84-K95 PolarHBondContact OE2-NZ 2.74Å
85	F	97.2	Very high	96.9	Very high	13 Å²	13	57.8 Å²	57.8	6%	0.057	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	121.5	171.1	175.3	-108	0	0	0	110.8	Y43 P49 L51 Y68 T73 K87 F92	Y43-F85 HydrophobicContact CE1-CD2 4.33Å; Y43-F85 AromaticContact CE1-CE2 3.69Å; Y43-F85 HydrophobicContact CE1-CE2 3.69Å; Y43-F85 AromaticContact CZ-CE2 3.88Å; Y43-F85 WeakPolarHBondContact OH-CE2 3.29Å; P49-F85 HydrophobicContact CG-CE2 3.76Å; P49-F85 HydrophobicContact CG-CZ 4.13Å; L51-F85 HydrophobicContact CD1-CD2 3.9Å; L51-F85 HydrophobicContact CD1-CE2 4.01Å; Y68-F85 HydrophobicContact CD1-CB 4.31Å; Y68-F85 HydrophobicContact CD1-CD1 4.21Å; Y68-F85 AromaticContact CD1-CD2 3.84Å; Y68-F85 HydrophobicContact CD1-CD2 3.84Å; Y68-F85 HydrophobicContact CD1-CE2 4.17Å; Y68-F85 AromaticContact CD1-CG 3.85Å; Y68-F85 HydrophobicContact CD1-CG 3.85Å; Y68-F85 HydrophobicContact CD1-CZ 4.48Å; Y68-F85 HydrophobicContact CD2-CB 3.72Å; Y68-F85 HydrophobicContact CD2-CD1 4.23Å; Y68-F85 AromaticContact CD2-CG 3.98Å; Y68-F85 HydrophobicContact CD2-CG 3.98Å; Y68-F85 HydrophobicContact CE1-CB 4.47Å; Y68-F85 AromaticContact CE1-CD1 3.56Å; Y68-F85 HydrophobicContact CE1-CD1 3.56Å; Y68-F85 AromaticContact CE1-CD2 3.87Å; Y68-F85 HydrophobicContact CE1-CD2 3.87Å; Y68-F85 AromaticContact CE1-CE1 3.59Å; Y68-F85 HydrophobicContact CE1-CE1 3.59Å; Y68-F85 AromaticContact CE1-CE2 3.9Å; Y68-F85 HydrophobicContact CE1-CE2 3.9Å; Y68-F85 AromaticContact CE1-CG 3.69Å; Y68-F85 HydrophobicContact CE1-CG 3.69Å; Y68-F85 AromaticContact CE1-CZ 3.76Å; Y68-F85 HydrophobicContact CE1-CZ 3.76Å; Y68-F85 HydrophobicContact CE2-CB 3.9Å; Y68-F85 AromaticContact CE2-CD1 3.59Å; Y68-F85 HydrophobicContact CE2-CD1 3.59Å; Y68-F85 HydrophobicContact CE2-CE1 4.3Å; Y68-F85 AromaticContact CE2-CG 3.83Å; Y68-F85 HydrophobicContact CE2-CG 3.83Å; Y68-F85 HydrophobicContact CG-CB 3.94Å; Y68-F85 HydrophobicContact CG-CD2 4.28Å; Y68-F85 AromaticContact CG-CG 3.99Å; Y68-F85 HydrophobicContact CG-CG 3.99Å; Y68-F85 AromaticContact CZ-CD1 3.21Å; Y68-F85 AromaticContact CZ-CE1 3.47Å; Y68-F85 VanDerWaalsContact CZ-CE1 3.47Å; Y68-F85 AromaticContact CZ-CG 3.68Å; Y68-F85 WeakPolarHBondContact OH-CD1 3.39Å; Y68-F85 VanDerWaalsContact OH-CE1 3.28Å; Y68-F85 WeakPolarHBondContact OH-CE1 3.38Å; T73-F85 PolarHBondContact O-N 2.8Å; F85-K87 HydrophobicContact CE1-CB 3.86Å; F85-K87 HydrophobicContact CZ-CB 3.82Å; F85-K87 HydrophobicContact CZ-CG 4.31Å; F85-F92 HydrophobicContact CB-CD2 3.92Å; F85-F92 HydrophobicContact CB-CE2 4.33Å
86	R	96	Very high	96.9	Very high	115 Å²	115	57.6 Å²	57.6	43%	0.434	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	97.3	175.3	-62.9	-174	170.4	-155.5	0.8	110.4	E84 S88 N89 S90 S91	E84-R86 HydrophobicContact CG-CG 4.15Å; E84-R86 IonicContact OE1-CZ 3.05Å; E84-R86 IonicContact OE1-NE 3.1Å; E84-R86 PolarHBondContact OE1-NE 2.78Å; E84-R86 IonicContact OE1-NH2 2.72Å; E84-R86 PolarHBondContact OE1-NH2 2.86Å; E84-R86 IonicContact OE2-CZ 3.16Å; E84-R86 IonicContact OE2-NE 2.77Å; E84-R86 IonicContact OE2-NH2 3.58Å; E84-R86 PolarHBondContact OE2-NH2 2.83Å; R86-S88 VanDerWaalsContact C-N 3.28Å; R86-S88 PolarHBondContact O-N 2.82Å; R86-N89 PolarHBondContact O-N 2.85Å; R86-S90 PolarHBondContact O-N 3.16Å; R86-S90 VanDerWaalsContact O-N 3.11Å; R86-S91 PolarHBondContact N-O 2.96Å; R86-S91 PolarHBondContact O-N 3.36Å; R86-S91 VanDerWaalsContact O-N 3.1Å
87	K	93.5	Very high	96.9	Very high	162 Å²	162	53.2 Å²	53.2	70%	0.704	30%	0.298	S	S	*	.	G	3₁₀ helix	trans	-55.9	-38.9	178.7	-170.8	175.7	-178.5	177.1	0	113.4	F85 N89 S90	F85-K87 HydrophobicContact CE1-CB 3.86Å; F85-K87 HydrophobicContact CZ-CB 3.82Å; F85-K87 HydrophobicContact CZ-CG 4.31Å; K87-N89 PolarHBondContact O-N 2.81Å; K87-S90 PolarHBondContact O-N 2.81Å
88	S	93.4	Very high	97	Very high	108 Å²	108	54.9 Å²	54.9	76%	0.755	31%	0.305	S	S	*	.	G	3₁₀ helix	trans	-60.8	-31.1	-178.3	63.3	0	0	0	0	113.2	R86	R86-S88 VanDerWaalsContact C-N 3.28Å; R86-S88 PolarHBondContact O-N 2.82Å
89	N	94.3	Very high	97	Very high	102 Å²	102	51.7 Å²	51.7	55%	0.545	29%	0.285	S	S	.	.	G	3₁₀ helix	trans	-107.5	3.1	-175.9	-62.5	9.1	0	0	0	111.6	R86 K87 S91	R86-N89 PolarHBondContact O-N 2.85Å; K87-N89 PolarHBondContact O-N 2.81Å; N89-S91 PolarHBondContact O-N 3.41Å
90	S	95.9	Very high	97.2	Very high	46 Å²	46	50.5 Å²	50.5	32%	0.322	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	44.2	50	-168.7	-50.9	0	0	0	0	112.2	S42 Y43 R86 K87	S42-S90 CarbonylContact C-O 3.51Å; S42-S90 WeakPolarHBondContact CA-O 3.42Å; Y43-S90 WeakPolarHBondContact CD1-O 3.18Å; Y43-S90 PolarHBondContact N-O 3.28Å; Y43-S90 WeakPolarHBondContact O-CB 3.43Å; R86-S90 PolarHBondContact O-N 3.16Å; R86-S90 VanDerWaalsContact O-N 3.11Å; K87-S90 PolarHBondContact O-N 2.81Å
91	S	97.4	Very high	97.1	Very high	12 Å²	12	55 Å²	55	8%	0.084	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	154	-174.6	74.8	0	0	0	0	113.5	C41 R86 N89	C41-S91 CarbonylContact O-C 3.52Å; C41-S91 WeakPolarHBondContact O-CA 3.43Å; C41-S91 WeakPolarHBondContact O-CB 3.2Å; R86-S91 PolarHBondContact N-O 2.96Å; R86-S91 PolarHBondContact O-N 3.36Å; R86-S91 VanDerWaalsContact O-N 3.1Å; N89-S91 PolarHBondContact O-N 3.41Å
92	F	98	Very high	97	Very high	0 Å²	0	59.1 Å²	59.1	0%	0	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.5	70.1	176.8	-174.3	-128.5	0	0	0	110.2	C41 L51 W53 L66 Y68 V75 A83 E84 F85	C41-F92 PolarHBondContact O-N 3.1Å; L51-F92 HydrophobicContact CB-CB 4.37Å; L51-F92 HydrophobicContact CB-CD1 3.46Å; L51-F92 VanDerWaalsContact CB-CD1 3.46Å; L51-F92 HydrophobicContact CB-CE1 3.75Å; L51-F92 HydrophobicContact CB-CG 3.95Å; L51-F92 HydrophobicContact CB-CZ 4.49Å; L51-F92 HydrophobicContact CD1-CB 3.71Å; L51-F92 HydrophobicContact CD1-CD1 4.39Å; L51-F92 HydrophobicContact CD1-CG 4.06Å; L51-F92 HydrophobicContact CG-CD1 4.45Å; W53-F92 AromaticContact CD1-CD1 3.53Å; W53-F92 AromaticContact CD1-CE1 3.41Å; W53-F92 VanDerWaalsContact CD1-CE1 3.41Å; W53-F92 AromaticContact NE1-CD1 3.55Å; W53-F92 AromaticContact NE1-CE1 3.94Å; W53-F92 PolarHBondContact NE1-O 3.15Å; L66-F92 HydrophobicContact CD1-CE1 3.82Å; L66-F92 HydrophobicContact CD1-CZ 3.55Å; Y68-F92 HydrophobicContact CG-CE2 4.49Å; V75-F92 HydrophobicContact CG2-CE2 3.73Å; V75-F92 HydrophobicContact CG2-CZ 3.72Å; A83-F92 HydrophobicContact CB-CD2 3.95Å; A83-F92 HydrophobicContact CB-CE1 4.18Å; A83-F92 HydrophobicContact CB-CE2 3.46Å; A83-F92 VanDerWaalsContact CB-CE2 3.46Å; A83-F92 HydrophobicContact CB-CG 4.49Å; A83-F92 HydrophobicContact CB-CZ 3.61Å; E84-F92 WeakPolarHBondContact O-CA 3.38Å; F85-F92 HydrophobicContact CB-CD2 3.92Å; F85-F92 HydrophobicContact CB-CE2 4.33Å
93	N	98.4	Very high	97	Very high	26 Å²	26	56.1 Å²	56.1	14%	0.139	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	132.4	-171.2	-63.6	-3.5	0	0	0	110.5	E38 L39 R40 C41 A83 E84	E38-N93 HydrophobicContact CG-CB 4.22Å; E38-N93 PolarHBondContact OE1-ND2 3.01Å; L39-N93 CarbonylContact O-C 3.51Å; L39-N93 VanDerWaalsContact O-CA 3.27Å; L39-N93 WeakPolarHBondContact O-CA 3.3Å; R40-N93 WeakPolarHBondContact CA-OD1 3.35Å; C41-N93 PolarHBondContact N-OD1 3.05Å; C41-N93 VanDerWaalsContact N-OD1 3.16Å; C41-N93 PolarHBondContact O-OD1 2.79Å; A83-N93 WeakPolarHBondContact CA-O 3.38Å; A83-N93 WeakPolarHBondContact CB-O 3.48Å; E84-N93 PolarHBondContact N-O 2.82Å; E84-N93 PolarHBondContact O-N 3.22Å
94	L	98.7	Very high	97	Very high	0 Å²	0	59.8 Å²	59.8	0%	0	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	135.9	174.5	-172.1	70.9	0	0	0	109.6	E38 L39 W53 L65 L66 F81 A83 Y107	E38-L94 CarbonylContact C-O 3.56Å; E38-L94 VanDerWaalsContact CA-O 3.3Å; E38-L94 WeakPolarHBondContact CA-O 3.48Å; L39-L94 HydrophobicContact CB-CB 4.32Å; L39-L94 HydrophobicContact CD1-CD2 4.34Å; L39-L94 PolarHBondContact N-O 3.03Å; L39-L94 PolarHBondContact O-N 2.71Å; W53-L94 HydrophobicContact CB-CD1 4.17Å; W53-L94 HydrophobicContact CD2-CB 3.85Å; W53-L94 HydrophobicContact CD2-CD1 4.39Å; W53-L94 HydrophobicContact CD2-CD2 4.08Å; W53-L94 HydrophobicContact CD2-CG 4.34Å; W53-L94 HydrophobicContact CE3-CB 4.38Å; W53-L94 HydrophobicContact CE3-CD2 4.05Å; W53-L94 HydrophobicContact CG-CB 4.2Å; W53-L94 HydrophobicContact CG-CD1 3.94Å; W53-L94 HydrophobicContact CG-CD2 4.35Å; W53-L94 HydrophobicContact CG-CG 4.4Å; W53-L94 HydrophobicContact CH2-CB 4.34Å; W53-L94 HydrophobicContact CZ2-CB 3.8Å; L65-L94 HydrophobicContact CD2-CD1 3.7Å; L65-L94 HydrophobicContact CD2-CD2 3.62Å; L65-L94 HydrophobicContact CD2-CG 4.29Å; L66-L94 HydrophobicContact CD1-CD1 4.34Å; L66-L94 HydrophobicContact CD2-CD1 3.73Å; L66-L94 HydrophobicContact CG-CD1 4.19Å; F81-L94 HydrophobicContact CB-CD1 4.14Å; F81-L94 HydrophobicContact CD1-CD1 4.08Å; F81-L94 HydrophobicContact CD1-CD2 3.82Å; F81-L94 HydrophobicContact CD1-CG 3.85Å; F81-L94 HydrophobicContact CE1-CD2 4.13Å; A83-L94 HydrophobicContact CB-CD1 4.24Å; L94-Y107 HydrophobicContact CD2-CD1 3.5Å; L94-Y107 HydrophobicContact CD2-CE1 3.93Å; L94-Y107 HydrophobicContact CD2-CG 4.25Å
95	K	98.5	Very high	97	Very high	47 Å²	47	59.5 Å²	59.5	20%	0.204	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	148.8	-178.2	-66.3	177.5	177.5	176.3	0	111.1	L37 E38 E82 E84	L37-K95 VanDerWaalsContact O-CA 3.29Å; L37-K95 WeakPolarHBondContact O-CA 3.05Å; E38-K95 HydrophobicContact CB-CG 4.4Å; E38-K95 HydrophobicContact CG-CG 4.13Å; E38-K95 WeakPolarHBondContact OE2-CE 2.92Å; E82-K95 HydrophobicContact CG-CB 4.14Å; E82-K95 PolarHBondContact N-O 2.99Å; E82-K95 PolarHBondContact O-N 3.31Å; E82-K95 VanDerWaalsContact O-O 3.12Å; E84-K95 IonicContact OE2-NZ 3.31Å; E84-K95 PolarHBondContact OE2-NZ 2.74Å
96	K	98.3	Very high	97	Very high	20 Å²	20	65.5 Å²	65.5	9%	0.087	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.6	134.1	167.3	-179.9	165.3	177.6	167	0	110.7	L37 K79 F81 P98 D103	L37-K96 HydrophobicContact CB-CB 4.35Å; L37-K96 HydrophobicContact CD2-CB 4.42Å; L37-K96 PolarHBondContact N-O 3.1Å; L37-K96 PolarHBondContact O-N 2.85Å; K79-K96 WeakPolarHBondContact O-CE 3.5Å; K79-K96 PolarHBondContact O-NZ 2.91Å; F81-K96 HydrophobicContact CD1-CB 3.72Å; F81-K96 HydrophobicContact CD1-CD 4.07Å; F81-K96 HydrophobicContact CD1-CG 4.47Å; F81-K96 HydrophobicContact CD2-CD 3.89Å; F81-K96 HydrophobicContact CE1-CB 3.68Å; F81-K96 HydrophobicContact CE1-CD 3.72Å; F81-K96 HydrophobicContact CE1-CG 4.33Å; F81-K96 HydrophobicContact CE2-CD 3.51Å; F81-K96 HydrophobicContact CG-CB 4.36Å; F81-K96 HydrophobicContact CG-CD 4.15Å; F81-K96 HydrophobicContact CZ-CB 4.25Å; F81-K96 HydrophobicContact CZ-CD 3.38Å; F81-K96 HydrophobicContact CZ-CG 4.44Å; K96-P98 WeakPolarHBondContact CE-O 3.42Å; K96-P98 WeakPolarHBondContact CG-O 3.17Å; K96-D103 VanDerWaalsContact CD-OD2 3.3Å; K96-D103 WeakPolarHBondContact CD-OD2 3.14Å; K96-D103 WeakPolarHBondContact CE-OD2 3.45Å; K96-D103 IonicContact NZ-OD1 3.86Å; K96-D103 PolarHBondContact NZ-OD1 3.22Å; K96-D103 IonicContact NZ-OD2 3.33Å; K96-D103 PolarHBondContact NZ-OD2 3.11Å
97	S	97.7	Very high	97.1	Very high	87 Å²	87	61.2 Å²	61.2	61%	0.608	34%	0.335	S	S	*	.	S	Bend	trans	-148.7	119.5	176.2	179.5	0	0	0	0	109.7	S36	S36-S97 PolarHBondContact OG-OG 2.81Å
98	P	97.9	Very high	97.4	Very high	62 Å²	62	57.1 Å²	57.1	40%	0.403	32%	0.317	S	S	.	.	S	Bend	cis	-75.4	148.9	-4.4	30.7	-33.9	0	0	0	112.7	K96	K96-P98 WeakPolarHBondContact CE-O 3.42Å; K96-P98 WeakPolarHBondContact CG-O 3.17Å
99	A	97.8	Very high	97.6	Very high	3 Å²	3	52.4 Å²	52.4	3%	0.025	28%	0.284	C	S	.	.			trans	-79.1	140.4	165.2	0	0	0	0	0	111	L31 G34 A35 L37	L31-A99 HydrophobicContact CD1-CB 3.54Å; L31-A99 HydrophobicContact CD2-CB 4.46Å; G34-A99 PolarHBondContact N-O 2.85Å; A35-A99 VanDerWaalsContact O-CB 3.31Å; A35-A99 WeakPolarHBondContact O-CB 3.15Å; A35-A99 PolarHBondContact O-N 2.87Å; L37-A99 HydrophobicContact CB-CB 4.07Å
100	H	97.8	Very high	97.7	Very high	84 Å²	84	49 Å²	49	39%	0.389	27%	0.27	S	S	.	.			trans	-114.2	157.6	177.6	-67.6	-73.6	0	0	0	111.2	E33 S102 D103	E33-H100 IonicContact OE1-ND1 2.74Å; H100-S102 PolarHBondContact O-N 2.79Å; H100-S102 VanDerWaalsContact O-N 3.12Å; H100-D103 PolarHBondContact N-OD2 3.29Å; H100-D103 VanDerWaalsContact O-CB 3.26Å; H100-D103 WeakPolarHBondContact O-CB 3.35Å; H100-D103 PolarHBondContact O-N 2.87Å
101	W	96.3	Very high	97.7	Very high	154 Å²	154	48.5 Å²	48.5	58%	0.583	26%	0.264	S	S	*	.	G	3₁₀ helix	trans	-56.1	-32	174.5	-57.6	113.6	0	0	0	112.9	E33 D103 S104	E33-W101 HydrophobicContact CB-CD2 4.08Å; E33-W101 HydrophobicContact CB-CG 4.49Å; E33-W101 HydrophobicContact CB-CH2 4.23Å; E33-W101 HydrophobicContact CB-CZ2 3.49Å; E33-W101 VanDerWaalsContact CB-CZ2 3.49Å; E33-W101 VanDerWaalsContact OE2-CD1 3.26Å; E33-W101 PolarHBondContact OE2-NE1 2.99Å; W101-D103 PolarHBondContact O-N 2.77Å; W101-S104 VanDerWaalsContact O-CB 3.3Å; W101-S104 WeakPolarHBondContact O-CB 3.15Å; W101-S104 PolarHBondContact O-N 3.1Å; W101-S104 VanDerWaalsContact O-N 3.09Å; W101-S104 PolarHBondContact O-OG 2.74Å
102	S	96.5	Very high	97.3	Very high	89 Å²	89	55 Å²	55	62%	0.622	29%	0.293	S	S	*	.	G	3₁₀ helix	trans	-67.7	-8.5	176.3	58.5	0	0	0	0	114.3	Y57 H100 S104	Y57-S102 VanDerWaalsContact CE1-O 3.26Å; Y57-S102 WeakPolarHBondContact CE1-O 3.49Å; H100-S102 PolarHBondContact O-N 2.79Å; H100-S102 VanDerWaalsContact O-N 3.12Å; S102-S104 VanDerWaalsContact C-N 3.32Å
103	D	97.7	Very high	97.2	Very high	11 Å²	11	57.8 Å²	57.8	6%	0.059	31%	0.307	C	S	.	.	G	3₁₀ helix	trans	-86.7	-0.6	171.6	-61.1	-47.7	0	0	0	113	F81 K96 H100 W101 A105 Y107	F81-D103 WeakPolarHBondContact CE2-OD1 3.44Å; F81-D103 HydrophobicContact CZ-CB 4.06Å; K96-D103 VanDerWaalsContact CD-OD2 3.3Å; K96-D103 WeakPolarHBondContact CD-OD2 3.14Å; K96-D103 WeakPolarHBondContact CE-OD2 3.45Å; K96-D103 IonicContact NZ-OD1 3.86Å; K96-D103 PolarHBondContact NZ-OD1 3.22Å; K96-D103 IonicContact NZ-OD2 3.33Å; K96-D103 PolarHBondContact NZ-OD2 3.11Å; H100-D103 PolarHBondContact N-OD2 3.29Å; H100-D103 VanDerWaalsContact O-CB 3.26Å; H100-D103 WeakPolarHBondContact O-CB 3.35Å; H100-D103 PolarHBondContact O-N 2.87Å; W101-D103 PolarHBondContact O-N 2.77Å; D103-A105 PolarHBondContact O-N 3.33Å; D103-Y107 WeakPolarHBondContact O-CE2 3.39Å; D103-Y107 PolarHBondContact O-OH 2.89Å
104	S	97.4	Very high	97.2	Very high	78 Å²	78	59.5 Å²	59.5	55%	0.545	32%	0.316	S	S	.	.			trans	-64.5	105.4	177	-57.5	0	0	0	0	110.8	W101 S102	W101-S104 VanDerWaalsContact O-CB 3.3Å; W101-S104 WeakPolarHBondContact O-CB 3.15Å; W101-S104 PolarHBondContact O-N 3.1Å; W101-S104 VanDerWaalsContact O-N 3.09Å; W101-S104 PolarHBondContact O-OG 2.74Å; S102-S104 VanDerWaalsContact C-N 3.32Å
105	A	97.8	Very high	97.1	Very high	30 Å²	30	62.8 Å²	62.8	25%	0.248	33%	0.334	C	S	.	.	S	Bend	trans	-161.2	173.6	-174.1	0	0	0	0	0	111.9	V55 Y57 D103 Y107	V55-A105 HydrophobicContact CG2-CB 3.5Å; Y57-A105 HydrophobicContact CD1-CB 3.63Å; Y57-A105 HydrophobicContact CE1-CB 3.76Å; Y57-A105 HydrophobicContact CG-CB 4.24Å; D103-A105 PolarHBondContact O-N 3.33Å; A105-Y107 HydrophobicContact CB-CD2 4.48Å; A105-Y107 HydrophobicContact CB-CE2 3.84Å; A105-Y107 WeakPolarHBondContact O-CD2 3.21Å
106	K	98.2	Very high	97	Very high	139 Å²	139	63.7 Å²	63.7	60%	0.604	34%	0.342	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-88.9	138.1	165.3	-65.7	178.6	-179.1	179.7	0	109.5	V55 Q56 F108	V55-K106 CarbonylContact C-O 3.54Å; V55-K106 WeakPolarHBondContact CA-O 3.47Å; Q56-K106 HydrophobicContact CB-CB 4.39Å; Q56-K106 PolarHBondContact N-O 2.71Å; Q56-K106 PolarHBondContact O-N 2.86Å; K106-F108 HydrophobicContact CB-CE2 3.62Å; K106-F108 HydrophobicContact CB-CZ 3.81Å; K106-F108 HydrophobicContact CD-CZ 4.2Å
107	Y	98.4	Very high	96.9	Very high	25 Å²	25	66.4 Å²	66.4	10%	0.098	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	135	-180	-67.9	-93	0	0	0	110.3	Q24 L39 Y54 V55 L65 F81 L94 D103 A105	Q24-Y107 PolarHBondContact NE2-O 3.07Å; L39-Y107 HydrophobicContact CD1-CD1 4.37Å; L39-Y107 HydrophobicContact CD1-CD2 3.69Å; L39-Y107 HydrophobicContact CD1-CE2 4.49Å; L39-Y107 HydrophobicContact CD1-CG 3.62Å; Y54-Y107 WeakPolarHBondContact O-CA 3.36Å; V55-Y107 HydrophobicContact CB-CD1 3.97Å; V55-Y107 HydrophobicContact CB-CE1 3.83Å; V55-Y107 HydrophobicContact CG2-CD1 3.92Å; V55-Y107 HydrophobicContact CG2-CE1 3.49Å; V55-Y107 VanDerWaalsContact CG2-CE1 3.49Å; V55-Y107 HydrophobicContact CG2-CE2 4.34Å; L65-Y107 HydrophobicContact CD2-CD1 4.19Å; L65-Y107 HydrophobicContact CD2-CE1 4.06Å; F81-Y107 AromaticContact CE1-CE1 3.83Å; F81-Y107 HydrophobicContact CE1-CE1 3.83Å; F81-Y107 HydrophobicContact CE2-CE1 4.45Å; F81-Y107 AromaticContact CZ-CE1 3.82Å; F81-Y107 HydrophobicContact CZ-CE1 3.82Å; F81-Y107 AromaticContact CZ-CZ 3.74Å; F81-Y107 WeakPolarHBondContact CZ-OH 3.44Å; L94-Y107 HydrophobicContact CD2-CD1 3.5Å; L94-Y107 HydrophobicContact CD2-CE1 3.93Å; L94-Y107 HydrophobicContact CD2-CG 4.25Å; D103-Y107 WeakPolarHBondContact O-CE2 3.39Å; D103-Y107 PolarHBondContact O-OH 2.89Å; A105-Y107 HydrophobicContact CB-CD2 4.48Å; A105-Y107 HydrophobicContact CB-CE2 3.84Å; A105-Y107 WeakPolarHBondContact O-CD2 3.21Å
108	F	98.3	Very high	96.9	Very high	77 Å²	77	65.1 Å²	65.1	34%	0.338	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	121.5	-174.3	-56.2	-91.4	0	0	0	109.6	W53 Y54 Q56 L62 K106	W53-F108 CarbonylContact C-O 3.47Å; W53-F108 WeakPolarHBondContact CA-O 3.49Å; W53-F108 VanDerWaalsContact CE3-C 3.41Å; Y54-F108 PolarHBondContact N-O 3.18Å; Y54-F108 PolarHBondContact O-N 3.24Å; Q56-F108 HydrophobicContact CB-CE2 3.82Å; L62-F108 HydrophobicContact CD1-CD2 3.47Å; L62-F108 VanDerWaalsContact CD1-CD2 3.47Å; L62-F108 HydrophobicContact CD1-CE2 3.8Å; L62-F108 HydrophobicContact CD1-CG 4.33Å; K106-F108 HydrophobicContact CB-CE2 3.62Å; K106-F108 HydrophobicContact CB-CZ 3.81Å; K106-F108 HydrophobicContact CD-CZ 4.2Å
109	C	98.2	Very high	96.8	Very high	9 Å²	9	65.3 Å²	65.3	6%	0.061	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	143.9	167.2	-168.4	0	0	0	0	108.7	Q24 C41 F52 W53	Q24-C109 HydrophobicContact CG-CB 3.93Å; C41-C109 HydrophobicContact CB-CB 3.54Å; C41-C109 WeakPolarHBondContact CB-SG 3.26Å; C41-C109 WeakPolarHBondContact SG-CB 3.28Å; C41-C109 CovalentContact SG-SG 2.03Å; C41-C109 PolarHBondContact SG-SG 3.28Å; F52-C109 CarbonylContact O-C 3.52Å; F52-C109 WeakPolarHBondContact O-CA 3.27Å; W53-C109 HydrophobicContact CD2-CB 4.15Å; W53-C109 HydrophobicContact CE3-CB 4.16Å; W53-C109 HydrophobicContact CH2-CB 3.9Å; W53-C109 HydrophobicContact CZ2-CB 3.88Å; W53-C109 HydrophobicContact CZ3-CB 4.03Å
110	A	97.5	Very high	96.7	Very high	31 Å²	31	70.1 Å²	70.1	26%	0.256	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	156.2	177	0	0	0	0	0	111.1	L51 F52 Y54	L51-A110 WeakPolarHBondContact CA-O 3.35Å; F52-A110 HydrophobicContact CB-CB 4.36Å; F52-A110 PolarHBondContact N-O 2.72Å; F52-A110 PolarHBondContact O-N 2.77Å; Y54-A110 HydrophobicContact CD2-CB 4.4Å; Y54-A110 HydrophobicContact CE2-CB 4.08Å
111	L	95.6	Very high	96.6	Very high	35 Å²	35	68.9 Å²	68.9	18%	0.183	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	136.8	176.6	170.4	65.6	0	0	0	108.4	Q20 V22 Y45 P49 Y50 L51	Q20-L111 HydrophobicContact CB-CD2 3.79Å; V22-L111 HydrophobicContact CG1-CB 3.61Å; Y45-L111 HydrophobicContact CD1-CD1 4.17Å; Y45-L111 HydrophobicContact CG-CD2 4.34Å; P49-L111 HydrophobicContact CB-CD1 3.61Å; Y50-L111 WeakPolarHBondContact O-CA 3.27Å; L51-L111 HydrophobicContact CD2-CB 3.96Å; L51-L111 HydrophobicContact CD2-CD1 3.82Å; L51-L111 HydrophobicContact CD2-CG 4.42Å; L51-L111 HydrophobicContact CG-CD1 4.43Å
112	E	87.6	Confident	96.6	Very high	149 Å²	149	61.2 Å²	61.2	70%	0.696	34%	0.337	S	S	*	.			trans	-107.3	0	172.9	-175.2	177.5	-157.9	0	0	111.8	Y50 F52	Y50-E112 PolarHBondContact O-N 3.48Å; Y50-E112 VanDerWaalsContact O-N 3.1Å; F52-E112 HydrophobicContact CE2-CB 3.91Å

Retrieved 112 of 112 residues in 42.2 ms (Link to these results)

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