A0A075B699_MOUSE Loading...

T cell receptor alpha variable 9D-1

AlphaFold DB , UniProt , Accession A0A075B699, Species MOUSE (Mus musculus, Mouse), Gene Trav9d-1, Length 112 aa.

						>A0A075B699_MOUSE|A0A075B699|Trav9d-1
MLLVLISFLGIHFFLDVQTQTVSQSDAHVTVFEGDSVELRCNYSYGGSIYLSWYIQHHGRGLQFLLKYYSGNPVVQGVNGFKAEFSKSDSSFHLRKASVHWSDSAVYFCAVS
					

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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	60.9	Low	59.3	Low	195 Å²	195	113.2 Å²	113.2	96%	0.961	62%	0.621	S	S	*	*				0	-41.4	0	-93.8	177.3	64.8	0	0	113.8	L3 V4 L5	M1-L3 PolarHBondContact O-N 3.27Å; M1-V4 PolarHBondContact O-N 3.32Å; M1-L5 PolarHBondContact O-N 2.99Å; M1-L5 VanDerWaalsContact O-N 3.12Å
2	L	64.7	Low	58.9	Low	129 Å²	129	113.1 Å²	113.1	68%	0.675	61%	0.612	S	S	*	*	H	α-helix	trans	-61.3	-39.4	-178.5	-168.7	65.7	0	0	0	114.3	V4 L5 I6	L2-V4 VanDerWaalsContact C-N 3.33Å; L2-V4 PolarHBondContact O-N 3.43Å; L2-L5 WeakPolarHBondContact O-CB 3.3Å; L2-L5 PolarHBondContact O-N 3.23Å; L2-I6 HydrophobicContact CG-CD1 4.3Å; L2-I6 VanDerWaalsContact O-CG1 3.31Å; L2-I6 WeakPolarHBondContact O-CG1 3.42Å; L2-I6 PolarHBondContact O-N 3.1Å
3	L	59	Low	58.8	Low	146 Å²	146	116.2 Å²	116.2	76%	0.764	62%	0.617	S	S	*	*	H	α-helix	trans	-63.1	-37	175.6	-74.8	160.1	0	0	0	113.1	M1 I6 S7	M1-L3 PolarHBondContact O-N 3.27Å; L3-I6 PolarHBondContact O-N 3.48Å; L3-S7 PolarHBondContact O-N 2.97Å; L3-S7 PolarHBondContact O-OG 3.05Å; L3-S7 VanDerWaalsContact O-OG 3.14Å
4	V	63.3	Low	58.8	Low	79 Å²	79	122.9 Å²	122.9	48%	0.479	64%	0.639	S	S	.	*	H	α-helix	trans	-67.1	-40.5	176	176.8	0	0	0	0	109.9	M1 L2 I6 S7 F8	M1-V4 PolarHBondContact O-N 3.32Å; L2-V4 VanDerWaalsContact C-N 3.33Å; L2-V4 PolarHBondContact O-N 3.43Å; V4-I6 PolarHBondContact O-N 2.69Å; V4-S7 VanDerWaalsContact C-OG 3.32Å; V4-S7 VanDerWaalsContact CA-OG 3.28Å; V4-S7 WeakPolarHBondContact CA-OG 3.39Å; V4-S7 PolarHBondContact O-N 3.4Å; V4-S7 PolarHBondContact O-OG 3.32Å; V4-F8 HydrophobicContact CG1-CD2 3.6Å; V4-F8 HydrophobicContact CG1-CE2 3.33Å; V4-F8 WeakPolarHBondContact O-CD2 3.17Å; V4-F8 PolarHBondContact O-N 2.88Å
5	L	57.8	Low	59	Low	92 Å²	92	123.7 Å²	123.7	48%	0.482	64%	0.643	S	S	.	*	H	α-helix	trans	-64	-36.8	173.2	-67.8	166	0	0	0	112.4	M1 L2 F8 L9	M1-L5 PolarHBondContact O-N 2.99Å; M1-L5 VanDerWaalsContact O-N 3.12Å; L2-L5 WeakPolarHBondContact O-CB 3.3Å; L2-L5 PolarHBondContact O-N 3.23Å; L5-F8 PolarHBondContact O-N 3.49Å; L5-L9 WeakPolarHBondContact O-CB 3.48Å; L5-L9 PolarHBondContact O-N 3.05Å
6	I	61.8	Low	59.7	Low	103 Å²	103	125.3 Å²	125.3	53%	0.528	65%	0.653	S	S	.	*	H	α-helix	trans	-67	-39.6	175.1	-65	161.2	0	0	0	111	L2 L3 V4 L9 G10	L2-I6 HydrophobicContact CG-CD1 4.3Å; L2-I6 VanDerWaalsContact O-CG1 3.31Å; L2-I6 WeakPolarHBondContact O-CG1 3.42Å; L2-I6 PolarHBondContact O-N 3.1Å; L3-I6 PolarHBondContact O-N 3.48Å; V4-I6 PolarHBondContact O-N 2.69Å; I6-L9 PolarHBondContact O-N 3.24Å; I6-G10 PolarHBondContact O-N 2.96Å
7	S	57.8	Low	60.4	Low	67 Å²	67	124.7 Å²	124.7	47%	0.469	66%	0.656	S	S	.	*	H	α-helix	trans	-67.5	-33.1	172.6	44.6	0	0	0	0	113.1	L3 V4 G10 I11	L3-S7 PolarHBondContact O-N 2.97Å; L3-S7 PolarHBondContact O-OG 3.05Å; L3-S7 VanDerWaalsContact O-OG 3.14Å; V4-S7 VanDerWaalsContact C-OG 3.32Å; V4-S7 VanDerWaalsContact CA-OG 3.28Å; V4-S7 WeakPolarHBondContact CA-OG 3.39Å; V4-S7 PolarHBondContact O-N 3.4Å; V4-S7 PolarHBondContact O-OG 3.32Å; S7-G10 PolarHBondContact O-N 3.1Å; S7-I11 WeakPolarHBondContact O-CG1 3.35Å
8	F	55.7	Low	61.4	Low	132 Å²	132	123.3 Å²	123.3	58%	0.579	65%	0.645	S	S	*	*	H	α-helix	trans	-74.5	-33.1	173.3	-77.4	-66.8	0	0	0	112.7	V4 L5 G10 I11	V4-F8 HydrophobicContact CG1-CD2 3.6Å; V4-F8 HydrophobicContact CG1-CE2 3.33Å; V4-F8 WeakPolarHBondContact O-CD2 3.17Å; V4-F8 PolarHBondContact O-N 2.88Å; L5-F8 PolarHBondContact O-N 3.49Å; F8-G10 VanDerWaalsContact C-N 3.3Å; F8-I11 HydrophobicContact CD1-CD1 4.19Å; F8-I11 PolarHBondContact O-N 2.89Å
9	L	56.1	Low	62.8	Low	116 Å²	116	122.2 Å²	122.2	61%	0.607	64%	0.644	S	S	*	*	H	α-helix	trans	-68.4	-27.6	170	-113.6	81.8	0	0	0	112.3	L5 I6 I11 H12	L5-L9 WeakPolarHBondContact O-CB 3.48Å; L5-L9 PolarHBondContact O-N 3.05Å; I6-L9 PolarHBondContact O-N 3.24Å; L9-I11 VanDerWaalsContact C-N 3.26Å; L9-I11 PolarHBondContact O-N 3.05Å; L9-H12 WeakPolarHBondContact O-CB 3.28Å; L9-H12 PolarHBondContact O-CD2 3.33Å; L9-H12 PolarHBondContact O-N 3.04Å
10	G	56	Low	64.2	Low	64 Å²	64	119.6 Å²	119.6	66%	0.66	63%	0.628	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.5	-14.3	175.9	0	0	0	0	0	114.3	I6 S7 F8 H12	I6-G10 PolarHBondContact O-N 2.96Å; S7-G10 PolarHBondContact O-N 3.1Å; F8-G10 VanDerWaalsContact C-N 3.3Å; G10-H12 PolarHBondContact O-N 3.4Å
11	I	59.1	Low	65.8	Low	122 Å²	122	117.2 Å²	117.2	63%	0.626	62%	0.619	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.5	7.4	177.2	-59.4	162.5	0	0	0	110.9	S7 F8 L9 F13	S7-I11 WeakPolarHBondContact O-CG1 3.35Å; F8-I11 HydrophobicContact CD1-CD1 4.19Å; F8-I11 PolarHBondContact O-N 2.89Å; L9-I11 VanDerWaalsContact C-N 3.26Å; L9-I11 PolarHBondContact O-N 3.05Å; I11-F13 VanDerWaalsContact C-N 3.3Å; I11-F13 PolarHBondContact O-N 2.77Å
12	H	54.7	Low	67.5	Low	112 Å²	112	110.5 Å²	110.5	52%	0.519	59%	0.589	S	S	.	*	S	Bend	trans	-64.5	91.8	173.4	-77.5	-42.6	0	0	0	111.5	L9 G10	L9-H12 WeakPolarHBondContact O-CB 3.28Å; L9-H12 PolarHBondContact O-CD2 3.33Å; L9-H12 PolarHBondContact O-N 3.04Å; G10-H12 PolarHBondContact O-N 3.4Å
13	F	57.3	Low	69	Low	154 Å²	154	107.7 Å²	107.7	68%	0.675	58%	0.58	S	S	*	*			trans	60.9	82.9	147.6	-46.9	-76.7	0	0	0	113.3	I11 L15	I11-F13 VanDerWaalsContact C-N 3.3Å; I11-F13 PolarHBondContact O-N 2.77Å; F13-L15 HydrophobicContact CB-CD2 4.13Å; F13-L15 HydrophobicContact CB-CG 3.97Å; F13-L15 PolarHBondContact O-N 2.93Å
14	F	59.5	Low	70.9	Confident	209 Å²	209	104.1 Å²	104.1	92%	0.917	56%	0.559	S	S	*	*			trans	-59.5	83.3	138.2	-64.2	-77.2	0	0	0	106.3	D16	F14-D16 PolarHBondContact O-N 2.87Å
15	L	61.4	Low	72.2	Confident	136 Å²	136	103.2 Å²	103.2	71%	0.712	56%	0.556	S	S	*	*			trans	-61.6	99.9	159.3	-65.8	175.4	0	0	0	103.6	F13 V17	F13-L15 HydrophobicContact CB-CD2 4.13Å; F13-L15 HydrophobicContact CB-CG 3.97Å; F13-L15 PolarHBondContact O-N 2.93Å; L15-V17 HydrophobicContact CB-CG2 4.46Å; L15-V17 PolarHBondContact O-N 2.9Å
16	D	70.3	Confident	73.6	Confident	148 Å²	148	100.9 Å²	100.9	79%	0.791	54%	0.544	S	S	*	.			trans	-64.8	91.8	170.3	-174	22.6	0	0	0	106.5	F14 Q18	F14-D16 PolarHBondContact O-N 2.87Å; D16-Q18 VanDerWaalsContact C-N 3.35Å; D16-Q18 PolarHBondContact O-N 2.79Å
17	V	71.8	Confident	74.8	Confident	116 Å²	116	101 Å²	101	70%	0.703	56%	0.561	S	S	*	*			trans	-75.9	95.2	175.5	178.2	0	0	0	0	106.2	L15 T19	L15-V17 HydrophobicContact CB-CG2 4.46Å; L15-V17 PolarHBondContact O-N 2.9Å; V17-T19 PolarHBondContact O-N 3.05Å
18	Q	78.7	Confident	76.5	Confident	99 Å²	99	105.3 Å²	105.3	46%	0.463	57%	0.573	S	S	.	*	P	Polyproline II helix	trans	-74.2	121.6	175.4	-166.2	168.9	30.1	0	0	109.7	D16 Y45 G46	D16-Q18 VanDerWaalsContact C-N 3.35Å; D16-Q18 PolarHBondContact O-N 2.79Å; Q18-Y45 HydrophobicContact CB-CE2 4.39Å; Q18-Y45 HydrophobicContact CG-CD2 4.03Å; Q18-Y45 HydrophobicContact CG-CE2 4.1Å; Q18-G46 VanDerWaalsContact NE2-CA 3.35Å
19	T	86.8	Confident	78.4	Confident	102 Å²	102	101.9 Å²	101.9	63%	0.626	56%	0.563	S	S	*	*	P	Polyproline II helix	trans	-79.3	136.6	175.2	-57.3	0	0	0	0	109.7	V17 T21	V17-T19 PolarHBondContact O-N 3.05Å; T19-T21 HydrophobicContact CG2-CG2 3.84Å
20	Q	92.1	Very high	80.3	Confident	70 Å²	70	101.8 Å²	101.8	33%	0.327	57%	0.567	S	S	.	*	P	Polyproline II helix	trans	-101.3	133.5	169.4	-59.8	-178.3	-19.3	0	0	109	Y45 V111 S112	Q20-Y45 HydrophobicContact CG-CD1 4.13Å; Q20-Y45 HydrophobicContact CG-CD2 3.53Å; Q20-Y45 HydrophobicContact CG-CE1 4.31Å; Q20-Y45 HydrophobicContact CG-CE2 3.76Å; Q20-Y45 HydrophobicContact CG-CG 3.75Å; Q20-Y45 PolarHBondContact NE2-OH 2.83Å; Q20-V111 HydrophobicContact CB-CG1 3.76Å; Q20-S112 PolarHBondContact NE2-OXT 2.86Å
21	T	95.9	Very high	82.3	Confident	70 Å²	70	101.4 Å²	101.4	43%	0.429	55%	0.552	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-137.6	152.8	176	61.5	0	0	0	0	111.6	T19 Y43 S44	T19-T21 HydrophobicContact CG2-CG2 3.84Å; T21-Y43 CarbonylContact O-C 3.59Å; T21-Y43 VanDerWaalsContact O-CA 3.26Å; T21-Y43 WeakPolarHBondContact O-CA 3.31Å; T21-S44 PolarHBondContact N-O 3.37Å; T21-S44 PolarHBondContact O-N 2.68Å; T21-S44 VanDerWaalsContact OG1-CB 3.29Å; T21-S44 WeakPolarHBondContact OG1-CB 3.01Å
22	V	97.1	Very high	84.1	Confident	55 Å²	55	103.3 Å²	103.3	33%	0.333	56%	0.556	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-125.2	148.8	164.9	-69.4	0	0	0	0	109.6	N42 V111	V22-N42 CarbonylContact C-O 3.5Å; V22-N42 WeakPolarHBondContact CA-O 3.41Å; V22-V111 HydrophobicContact CG1-CB 3.8Å; V22-V111 HydrophobicContact CG1-CG1 3.76Å
23	S	97.1	Very high	86.2	Confident	70 Å²	70	102.8 Å²	102.8	49%	0.49	55%	0.554	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-128.3	125.2	174.8	-176.9	0	0	0	0	109.5	C41 N42	S23-C41 WeakPolarHBondContact O-CA 3.46Å; S23-N42 PolarHBondContact N-O 2.87Å; S23-N42 PolarHBondContact O-N 3.24Å
24	Q	97.8	Very high	88.1	Confident	71 Å²	71	97.4 Å²	97.4	33%	0.332	54%	0.541	S	S	.	.			trans	-110.8	106.4	172.6	-69.5	179.3	-120.2	0	0	108.1	D26 R40 C41 W53 Y107 C109	Q24-D26 VanDerWaalsContact C-N 3.3Å; Q24-R40 WeakPolarHBondContact CA-O 3.28Å; Q24-C41 HydrophobicContact CG-CB 4.49Å; Q24-W53 HydrophobicContact CG-CH2 4.38Å; Q24-Y107 PolarHBondContact NE2-O 3.08Å; Q24-C109 HydrophobicContact CG-CB 4.16Å
25	S	91.1	Very high	90	Very high	60 Å²	60	90.9 Å²	90.9	42%	0.42	52%	0.516	S	S	.	.			trans	-74.7	-22.2	-176.5	48.6	0	0	0	0	113.4	A27 R40	S25-A27 PolarHBondContact O-N 3.08Å; S25-R40 PolarHBondContact OG-NE 2.89Å; S25-R40 VanDerWaalsContact OG-NE 3.08Å; S25-R40 PolarHBondContact OG-NH2 2.86Å
26	D	86.6	Confident	91.7	Very high	42 Å²	42	88.6 Å²	88.6	23%	0.225	51%	0.512	C	S	.	.			trans	-91.5	90.5	-176.4	-53.7	-49.5	0	0	0	109.7	Q24 H28 V29 R40	Q24-D26 VanDerWaalsContact C-N 3.3Å; D26-H28 VanDerWaalsContact C-N 3.32Å; D26-H28 PolarHBondContact O-N 2.94Å; D26-V29 HydrophobicContact CB-CG2 3.62Å; D26-R40 IonicContact OD1-CZ 3.3Å; D26-R40 VanDerWaalsContact OD1-CZ 3.3Å; D26-R40 IonicContact OD1-NE 3.11Å; D26-R40 PolarHBondContact OD1-NE 2.75Å; D26-R40 VanDerWaalsContact OD1-NE 3.11Å; D26-R40 IonicContact OD1-NH2 2.68Å; D26-R40 PolarHBondContact OD1-NH2 2.79Å; D26-R40 VanDerWaalsContact OD2-CB 3.26Å; D26-R40 WeakPolarHBondContact OD2-CB 3.46Å; D26-R40 WeakPolarHBondContact OD2-CG 3.41Å; D26-R40 PolarHBondContact OD2-N 3.11Å; D26-R40 IonicContact OD2-NE 3.08Å; D26-R40 PolarHBondContact OD2-NE 3.28Å; D26-R40 VanDerWaalsContact OD2-NE 3.08Å
27	A	86.9	Confident	93	Very high	106 Å²	106	82.5 Å²	82.5	88%	0.876	48%	0.48	S	S	*	.	S	Bend	trans	-66.8	-35.3	-178.3	0	0	0	0	0	112.7	S25	S25-A27 PolarHBondContact O-N 3.08Å
28	H	94.2	Very high	94.2	Very high	158 Å²	158	81.2 Å²	81.2	73%	0.731	47%	0.466	S	S	*	.			trans	-150.4	126.8	177.9	-172.5	-96	0	0	0	109.5	D26 T30	D26-H28 VanDerWaalsContact C-N 3.32Å; D26-H28 PolarHBondContact O-N 2.94Å; H28-T30 PolarHBondContact CE1-OG1 2.86Å; H28-T30 PolarHBondContact ND1-OG1 2.94Å
29	V	96.2	Very high	95.1	Very high	59 Å²	59	77.6 Å²	77.6	36%	0.358	45%	0.45	S	S	.	.			trans	-119.8	129.9	179.2	-178.8	0	0	0	0	108.6	D26 V31 V37 L39	D26-V29 HydrophobicContact CB-CG2 3.62Å; V29-V31 HydrophobicContact CG1-CG1 4.11Å; V29-V37 HydrophobicContact CG1-CG2 3.73Å; V29-L39 HydrophobicContact CB-CD2 4.1Å; V29-L39 HydrophobicContact CG1-CD2 4.47Å; V29-L39 HydrophobicContact CG2-CD2 3.7Å
30	T	96.5	Very high	95.7	Very high	115 Å²	115	77.9 Å²	77.9	71%	0.706	44%	0.439	S	S	*	.			trans	-127	126.1	176.7	-53.4	0	0	0	0	108.4	H28	H28-T30 PolarHBondContact CE1-OG1 2.86Å; H28-T30 PolarHBondContact ND1-OG1 2.94Å
31	V	96.9	Very high	95.9	Very high	55 Å²	55	74.5 Å²	74.5	33%	0.333	42%	0.424	S	S	.	.			trans	-139.4	157.8	-176.3	-70.9	0	0	0	0	108.7	V29 D35 V37 V99	V29-V31 HydrophobicContact CG1-CG1 4.11Å; V31-D35 HydrophobicContact CB-CB 4.27Å; V31-V37 HydrophobicContact CG1-CB 4.47Å; V31-V37 HydrophobicContact CG1-CG2 4.25Å; V31-V37 HydrophobicContact CG2-CB 4.43Å; V31-V37 HydrophobicContact CG2-CG2 4.45Å; V31-V99 HydrophobicContact CB-CG2 4.49Å; V31-V99 HydrophobicContact CG2-CB 4.49Å; V31-V99 HydrophobicContact CG2-CG1 4.35Å; V31-V99 HydrophobicContact CG2-CG2 3.68Å
32	F	97.9	Very high	96	Very high	162 Å²	162	74.1 Å²	74.1	71%	0.711	42%	0.419	S	S	*	.			trans	-83	155.3	174.8	-65	-78	0	0	0	111	G34 D35 V99	F32-G34 PolarHBondContact O-N 2.9Å; F32-D35 WeakPolarHBondContact CB-OD2 3.27Å; F32-D35 PolarHBondContact N-OD2 2.95Å; F32-D35 VanDerWaalsContact O-CB 3.27Å; F32-D35 WeakPolarHBondContact O-CB 3.47Å; F32-D35 PolarHBondContact O-N 3.21Å; F32-D35 VanDerWaalsContact O-N 3.1Å; F32-V99 WeakPolarHBondContact O-CG2 3.42Å
33	E	97.7	Very high	96	Very high	102 Å²	102	72.2 Å²	72.2	48%	0.477	41%	0.406	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.4	136	171.4	-177.4	170.4	-137.7	0	0	110.2	D35 W101	E33-D35 VanDerWaalsContact C-N 3.31Å; E33-W101 HydrophobicContact CB-CZ2 4.23Å; E33-W101 PolarHBondContact OE1-NE1 2.78Å; E33-W101 PolarHBondContact OE2-NE1 2.89Å
34	G	98.1	Very high	95.9	Very high	40 Å²	40	72.4 Å²	72.4	41%	0.412	41%	0.407	S	S	.	.	T	Hydrogen-bonded Turn	trans	92.4	-23.6	-175.4	0	0	0	0	0	114.4	F32 S98 V99	F32-G34 PolarHBondContact O-N 2.9Å; G34-S98 WeakPolarHBondContact CA-OG 3.28Å; G34-S98 PolarHBondContact O-OG 3.34Å; G34-V99 PolarHBondContact N-O 3.14Å
35	D	98.3	Very high	95.6	Very high	72 Å²	72	71.9 Å²	71.9	39%	0.385	40%	0.403	S	S	.	.			trans	-68.3	161.2	-179.9	-70.6	-17	0	0	0	112.2	V31 F32 E33 S98 V99	V31-D35 HydrophobicContact CB-CB 4.27Å; F32-D35 WeakPolarHBondContact CB-OD2 3.27Å; F32-D35 PolarHBondContact N-OD2 2.95Å; F32-D35 VanDerWaalsContact O-CB 3.27Å; F32-D35 WeakPolarHBondContact O-CB 3.47Å; F32-D35 PolarHBondContact O-N 3.21Å; F32-D35 VanDerWaalsContact O-N 3.1Å; E33-D35 VanDerWaalsContact C-N 3.31Å; D35-S98 CarbonylContact O-C 3.59Å; D35-S98 VanDerWaalsContact O-CA 3.28Å; D35-S98 WeakPolarHBondContact O-CA 3.34Å; D35-V99 WeakPolarHBondContact O-CG2 3.43Å; D35-V99 PolarHBondContact O-N 2.97Å
36	S	98.1	Very high	95.3	Very high	88 Å²	88	72 Å²	72	62%	0.615	41%	0.413	S	S	*	.			trans	-84.1	150.7	167	65.9	0	0	0	0	110.9	K96 A97	S36-K96 CarbonylContact C-O 3.48Å; S36-K96 VanDerWaalsContact CA-O 3.28Å; S36-K96 WeakPolarHBondContact CA-O 3.35Å; S36-A97 WeakPolarHBondContact CA-O 3.26Å; S36-A97 WeakPolarHBondContact CB-O 3.14Å
37	V	97.4	Very high	95.4	Very high	21 Å²	21	71.5 Å²	71.5	13%	0.127	42%	0.418	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134	145.2	175.1	71.9	0	0	0	0	110.3	V29 V31 L39 R95 K96 V99	V29-V37 HydrophobicContact CG1-CG2 3.73Å; V31-V37 HydrophobicContact CG1-CB 4.47Å; V31-V37 HydrophobicContact CG1-CG2 4.25Å; V31-V37 HydrophobicContact CG2-CB 4.43Å; V31-V37 HydrophobicContact CG2-CG2 4.45Å; V37-L39 HydrophobicContact CG2-CD2 4.16Å; V37-R95 CarbonylContact O-C 3.53Å; V37-R95 WeakPolarHBondContact O-CA 3.29Å; V37-K96 HydrophobicContact CG1-CB 4.07Å; V37-K96 PolarHBondContact N-O 3.21Å; V37-K96 PolarHBondContact O-N 2.97Å; V37-V99 HydrophobicContact CB-CG1 3.81Å; V37-V99 HydrophobicContact CG1-CG1 3.33Å
38	E	97.4	Very high	95.4	Very high	89 Å²	89	70.8 Å²	70.8	42%	0.416	41%	0.407	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	131.6	167.3	-175.3	170.7	90.1	0	0	109.4	H93 L94 R95	E38-H93 HydrophobicContact CG-CB 4.08Å; E38-H93 IonicContact OE1-CD2 2.75Å; E38-L94 CarbonylContact C-O 3.6Å; E38-L94 VanDerWaalsContact CA-O 3.29Å; E38-L94 WeakPolarHBondContact CA-O 3.4Å; E38-R95 IonicContact OE2-NE 2.75Å
39	L	97.9	Very high	95.3	Very high	22 Å²	22	64.4 Å²	64.4	12%	0.115	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	120.4	172.6	-53.8	-178.2	0	0	0	108.4	V29 V37 W53 H93 L94 Y107	V29-L39 HydrophobicContact CB-CD2 4.1Å; V29-L39 HydrophobicContact CG1-CD2 4.47Å; V29-L39 HydrophobicContact CG2-CD2 3.7Å; V37-L39 HydrophobicContact CG2-CD2 4.16Å; L39-W53 HydrophobicContact CB-CH2 3.91Å; L39-W53 HydrophobicContact CB-CZ2 4.44Å; L39-H93 WeakPolarHBondContact O-CA 3.28Å; L39-L94 HydrophobicContact CB-CB 4.36Å; L39-L94 HydrophobicContact CD1-CD2 4.22Å; L39-L94 PolarHBondContact N-O 2.78Å; L39-L94 PolarHBondContact O-N 2.65Å; L39-Y107 HydrophobicContact CD1-CD1 4.19Å; L39-Y107 HydrophobicContact CD1-CD2 3.72Å; L39-Y107 HydrophobicContact CD1-CE2 4.46Å; L39-Y107 HydrophobicContact CD1-CG 3.56Å
40	R	98	Very high	95.2	Very high	108 Å²	108	66 Å²	66	41%	0.408	38%	0.378	S	S	.	.			trans	-82.2	131.8	-175.8	-63.3	177.4	-69.8	170.4	1.4	110.8	Q24 S25 D26	Q24-R40 WeakPolarHBondContact CA-O 3.28Å; S25-R40 PolarHBondContact OG-NE 2.89Å; S25-R40 VanDerWaalsContact OG-NE 3.08Å; S25-R40 PolarHBondContact OG-NH2 2.86Å; D26-R40 IonicContact OD1-CZ 3.3Å; D26-R40 VanDerWaalsContact OD1-CZ 3.3Å; D26-R40 IonicContact OD1-NE 3.11Å; D26-R40 PolarHBondContact OD1-NE 2.75Å; D26-R40 VanDerWaalsContact OD1-NE 3.11Å; D26-R40 IonicContact OD1-NH2 2.68Å; D26-R40 PolarHBondContact OD1-NH2 2.79Å; D26-R40 VanDerWaalsContact OD2-CB 3.26Å; D26-R40 WeakPolarHBondContact OD2-CB 3.46Å; D26-R40 WeakPolarHBondContact OD2-CG 3.41Å; D26-R40 PolarHBondContact OD2-N 3.11Å; D26-R40 IonicContact OD2-NE 3.08Å; D26-R40 PolarHBondContact OD2-NE 3.28Å; D26-R40 VanDerWaalsContact OD2-NE 3.08Å
41	C	97.9	Very high	95.3	Very high	0 Å²	0	60.6 Å²	60.6	0%	0	34%	0.344	C	S	.	.			trans	-133.2	124.2	167.7	174.4	0	0	0	0	109.3	S23 Q24 W53 S91 F92 H93 C109	S23-C41 WeakPolarHBondContact O-CA 3.46Å; Q24-C41 HydrophobicContact CG-CB 4.49Å; C41-W53 HydrophobicContact CB-CH2 3.99Å; C41-W53 HydrophobicContact CB-CZ2 3.37Å; C41-S91 CarbonylContact O-C 3.46Å; C41-S91 WeakPolarHBondContact O-CA 3.46Å; C41-F92 PolarHBondContact O-N 3.29Å; C41-H93 PolarHBondContact N-ND1 2.02Å; C41-H93 PolarHBondContact O-CE1 2.95Å; C41-H93 PolarHBondContact O-ND1 3.42Å; C41-H93 VanDerWaalsContact O-ND1 3.12Å; C41-C109 HydrophobicContact CB-CB 3.5Å; C41-C109 WeakPolarHBondContact CB-SG 3.04Å; C41-C109 WeakPolarHBondContact SG-CB 3.38Å; C41-C109 CovalentContact SG-SG 2.02Å; C41-C109 PolarHBondContact SG-SG 3.15Å
42	N	97.7	Very high	95.4	Very high	61 Å²	61	58.1 Å²	58.1	33%	0.326	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	148.8	169.1	-63.2	-46.5	0	0	0	109.2	V22 S23 S90 S91 H93	V22-N42 CarbonylContact C-O 3.5Å; V22-N42 WeakPolarHBondContact CA-O 3.41Å; S23-N42 PolarHBondContact N-O 2.87Å; S23-N42 PolarHBondContact O-N 3.24Å; N42-S90 CarbonylContact C-O 3.52Å; N42-S90 VanDerWaalsContact CA-O 3.23Å; N42-S90 WeakPolarHBondContact CA-O 3.18Å; N42-S91 WeakPolarHBondContact OD1-CB 3.43Å; N42-H93 PolarHBondContact OD1-CE1 2.82Å
43	Y	96.3	Very high	95.4	Very high	16 Å²	16	50.4 Å²	50.4	6%	0.063	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	157.4	178	70.9	-92.6	0	0	0	111.1	T21 I49 L51 F85 S90	T21-Y43 CarbonylContact O-C 3.59Å; T21-Y43 VanDerWaalsContact O-CA 3.26Å; T21-Y43 WeakPolarHBondContact O-CA 3.31Å; Y43-I49 HydrophobicContact CD2-CD1 4.26Å; Y43-I49 HydrophobicContact CD2-CG1 4.39Å; Y43-I49 HydrophobicContact CD2-CG2 4.33Å; Y43-I49 HydrophobicContact CE2-CD1 3.37Å; Y43-I49 HydrophobicContact CE2-CG1 3.95Å; Y43-I49 HydrophobicContact CE2-CG2 4.18Å; Y43-L51 HydrophobicContact CD1-CD1 3.33Å; Y43-L51 HydrophobicContact CD1-CD2 3.99Å; Y43-L51 HydrophobicContact CD1-CG 4.27Å; Y43-L51 HydrophobicContact CE1-CD1 3.49Å; Y43-L51 VanDerWaalsContact CE1-CD1 3.49Å; Y43-L51 HydrophobicContact CG-CD1 4.06Å; Y43-L51 HydrophobicContact CG-CD2 4.05Å; Y43-F85 HydrophobicContact CE1-CD2 4.39Å; Y43-F85 AromaticContact CE1-CE2 3.87Å; Y43-F85 HydrophobicContact CE1-CE2 3.87Å; Y43-F85 AromaticContact CZ-CE2 3.96Å; Y43-S90 WeakPolarHBondContact CD1-O 3.4Å; Y43-S90 VanDerWaalsContact CE1-CA 3.46Å; Y43-S90 PolarHBondContact N-O 3.31Å; Y43-S90 WeakPolarHBondContact O-CB 3.28Å
44	S	95	Very high	95.4	Very high	74 Å²	74	48.9 Å²	48.9	52%	0.517	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	108.8	166.6	-168.4	0	0	0	0	108.8	T21	T21-S44 PolarHBondContact N-O 3.37Å; T21-S44 PolarHBondContact O-N 2.68Å; T21-S44 VanDerWaalsContact OG1-CB 3.29Å; T21-S44 WeakPolarHBondContact OG1-CB 3.01Å
45	Y	92	Very high	95.4	Very high	60 Å²	60	47.5 Å²	47.5	24%	0.235	27%	0.269	C	S	.	.			trans	-163.9	136.3	174.1	-177.4	-141.7	0	0	0	109.6	Q18 Q20 S48 I49 V111	Q18-Y45 HydrophobicContact CB-CE2 4.39Å; Q18-Y45 HydrophobicContact CG-CD2 4.03Å; Q18-Y45 HydrophobicContact CG-CE2 4.1Å; Q20-Y45 HydrophobicContact CG-CD1 4.13Å; Q20-Y45 HydrophobicContact CG-CD2 3.53Å; Q20-Y45 HydrophobicContact CG-CE1 4.31Å; Q20-Y45 HydrophobicContact CG-CE2 3.76Å; Q20-Y45 HydrophobicContact CG-CG 3.75Å; Q20-Y45 PolarHBondContact NE2-OH 2.83Å; Y45-S48 VanDerWaalsContact CE1-O 3.23Å; Y45-S48 WeakPolarHBondContact CE1-O 3.45Å; Y45-I49 HydrophobicContact CD1-CG1 3.68Å; Y45-I49 HydrophobicContact CG-CG1 4.35Å; Y45-V111 HydrophobicContact CD1-CG2 4.41Å
46	G	85.4	Confident	95.4	Very high	62 Å²	62	47.5 Å²	47.5	64%	0.639	27%	0.267	S	S	*	.	S	Bend	trans	-95.1	-7.7	-178.3	0	0	0	0	0	115.1	Q18	Q18-G46 VanDerWaalsContact NE2-CA 3.35Å
47	G	87.3	Confident	95.3	Very high	31 Å²	31	44.6 Å²	44.6	32%	0.32	24%	0.243	S	C	.	.	S	Bend	trans	-88.6	-160.3	-177.9	0	0	0	0	0	114.5	I49	G47-I49 WeakPolarHBondContact O-CG1 3.37Å; G47-I49 PolarHBondContact O-N 2.95Å
48	S	88.1	Confident	95.2	Very high	92 Å²	92	52.6 Å²	52.6	64%	0.643	28%	0.279	S	S	*	.			trans	-66.3	118.2	168.9	-64.4	0	0	0	0	109.6	Y45	Y45-S48 VanDerWaalsContact CE1-O 3.23Å; Y45-S48 WeakPolarHBondContact CE1-O 3.45Å
49	I	91	Very high	95.2	Very high	24 Å²	24	52.2 Å²	52.2	12%	0.123	30%	0.299	C	S	.	.			trans	-103.9	123.6	-170.9	-67.3	140.7	0	0	0	110.5	Y43 Y45 G47 L51 F85 V111	Y43-I49 HydrophobicContact CD2-CD1 4.26Å; Y43-I49 HydrophobicContact CD2-CG1 4.39Å; Y43-I49 HydrophobicContact CD2-CG2 4.33Å; Y43-I49 HydrophobicContact CE2-CD1 3.37Å; Y43-I49 HydrophobicContact CE2-CG1 3.95Å; Y43-I49 HydrophobicContact CE2-CG2 4.18Å; Y45-I49 HydrophobicContact CD1-CG1 3.68Å; Y45-I49 HydrophobicContact CG-CG1 4.35Å; G47-I49 WeakPolarHBondContact O-CG1 3.37Å; G47-I49 PolarHBondContact O-N 2.95Å; I49-L51 HydrophobicContact CG2-CD1 3.57Å; I49-L51 HydrophobicContact CG2-CD2 4.32Å; I49-L51 HydrophobicContact CG2-CG 3.58Å; I49-F85 HydrophobicContact CG2-CE2 4.43Å; I49-V111 HydrophobicContact CG2-CG2 4.11Å
50	Y	95.5	Very high	95.1	Very high	93 Å²	93	57.6 Å²	57.6	37%	0.365	32%	0.318	S	S	.	.			trans	-111.8	125.1	163.4	-55.3	-71.6	0	0	0	109.3	Y69 V111 S112	Y50-Y69 AromaticContact CD1-CD1 3.49Å; Y50-Y69 HydrophobicContact CD1-CD1 3.49Å; Y50-Y69 VanDerWaalsContact CD1-CD1 3.49Å; Y50-Y69 HydrophobicContact CD1-CE1 4.32Å; Y50-Y69 HydrophobicContact CD1-CG 4.19Å; Y50-Y69 AromaticContact CE1-CD1 3.75Å; Y50-Y69 HydrophobicContact CE1-CD1 3.75Å; Y50-Y69 HydrophobicContact CE1-CG 4.49Å; Y50-Y69 HydrophobicContact CG-CD1 4.41Å; Y50-V111 CarbonylContact O-C 3.57Å; Y50-V111 WeakPolarHBondContact O-CA 3.44Å; Y50-S112 WeakPolarHBondContact CB-O 3.22Å; Y50-S112 WeakPolarHBondContact CB-OG 3.37Å; Y50-S112 WeakPolarHBondContact CD2-O 3.49Å; Y50-S112 PolarHBondContact N-O 2.99Å; Y50-S112 PolarHBondContact O-N 2.81Å
51	L	97.9	Very high	95.1	Very high	0 Å²	0	55 Å²	55	0%	0	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	133.3	-178.2	-71.4	156.6	0	0	0	110.6	Y43 I49 K67 Y68 F85 F92 A110 V111	Y43-L51 HydrophobicContact CD1-CD1 3.33Å; Y43-L51 HydrophobicContact CD1-CD2 3.99Å; Y43-L51 HydrophobicContact CD1-CG 4.27Å; Y43-L51 HydrophobicContact CE1-CD1 3.49Å; Y43-L51 VanDerWaalsContact CE1-CD1 3.49Å; Y43-L51 HydrophobicContact CG-CD1 4.06Å; Y43-L51 HydrophobicContact CG-CD2 4.05Å; I49-L51 HydrophobicContact CG2-CD1 3.57Å; I49-L51 HydrophobicContact CG2-CD2 4.32Å; I49-L51 HydrophobicContact CG2-CG 3.58Å; L51-K67 CarbonylContact O-C 3.56Å; L51-K67 VanDerWaalsContact O-CA 3.27Å; L51-K67 WeakPolarHBondContact O-CA 3.5Å; L51-K67 WeakPolarHBondContact O-CG 2.96Å; L51-Y68 PolarHBondContact N-O 3.47Å; L51-Y68 PolarHBondContact O-N 3.45Å; L51-F85 HydrophobicContact CD1-CD2 3.74Å; L51-F85 HydrophobicContact CD1-CE2 3.94Å; L51-F92 HydrophobicContact CB-CB 4Å; L51-F92 HydrophobicContact CB-CD1 3.44Å; L51-F92 VanDerWaalsContact CB-CD1 3.44Å; L51-F92 HydrophobicContact CB-CD2 4.39Å; L51-F92 HydrophobicContact CB-CE1 3.88Å; L51-F92 HydrophobicContact CB-CG 3.71Å; L51-F92 HydrophobicContact CD1-CB 3.72Å; L51-F92 HydrophobicContact CD1-CG 4.21Å; L51-F92 HydrophobicContact CG-CB 4.28Å; L51-F92 VanDerWaalsContact O-CE1 3.28Å; L51-F92 WeakPolarHBondContact O-CE1 3.37Å; L51-A110 WeakPolarHBondContact CA-O 3.28Å; L51-V111 HydrophobicContact CD2-CB 3.72Å; L51-V111 HydrophobicContact CD2-CG2 3.9Å
52	S	98	Very high	95.1	Very high	3 Å²	3	59.5 Å²	59.5	2%	0.021	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	147.1	-172.5	-43.3	0	0	0	0	110.6	L66 K67 C109 A110	S52-L66 WeakPolarHBondContact CA-O 3.16Å; S52-K67 WeakPolarHBondContact OG-CD 3.26Å; S52-K67 WeakPolarHBondContact OG-CG 3.29Å; S52-C109 CarbonylContact O-C 3.49Å; S52-C109 WeakPolarHBondContact O-CA 3.23Å; S52-A110 PolarHBondContact N-O 3.31Å; S52-A110 PolarHBondContact O-N 2.9Å
53	W	98.4	Very high	95.1	Very high	0 Å²	0	61 Å²	61	0%	0	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	142.1	165.9	-80.2	95.4	0	0	0	110.1	Q24 L39 C41 L65 L66 F92 L94 F108 C109	Q24-W53 HydrophobicContact CG-CH2 4.38Å; L39-W53 HydrophobicContact CB-CH2 3.91Å; L39-W53 HydrophobicContact CB-CZ2 4.44Å; C41-W53 HydrophobicContact CB-CH2 3.99Å; C41-W53 HydrophobicContact CB-CZ2 3.37Å; W53-L65 HydrophobicContact CB-CB 4.25Å; W53-L65 HydrophobicContact CB-CD2 4.15Å; W53-L65 VanDerWaalsContact O-CB 3.29Å; W53-L65 WeakPolarHBondContact O-CB 3.2Å; W53-L65 PolarHBondContact O-N 3.12Å; W53-L66 HydrophobicContact CB-CD1 4.11Å; W53-L66 HydrophobicContact CB-CG 4.26Å; W53-L66 HydrophobicContact CG-CD1 4.38Å; W53-L66 PolarHBondContact N-O 3.36Å; W53-L66 PolarHBondContact O-N 2.86Å; W53-F92 AromaticContact CD1-CD1 3.48Å; W53-F92 VanDerWaalsContact CD1-CD1 3.48Å; W53-F92 AromaticContact CD1-CE1 3.48Å; W53-F92 VanDerWaalsContact CD1-CE1 3.48Å; W53-F92 AromaticContact NE1-CD1 3.53Å; W53-F92 PolarHBondContact NE1-O 3.44Å; W53-L94 HydrophobicContact CB-CD1 4.41Å; W53-L94 HydrophobicContact CD2-CB 3.87Å; W53-L94 HydrophobicContact CD2-CD2 4Å; W53-L94 HydrophobicContact CD2-CG 4.38Å; W53-L94 HydrophobicContact CE3-CB 4.47Å; W53-L94 HydrophobicContact CE3-CD2 4.06Å; W53-L94 HydrophobicContact CG-CB 4.18Å; W53-L94 HydrophobicContact CG-CD1 4.13Å; W53-L94 HydrophobicContact CG-CD2 4.21Å; W53-L94 HydrophobicContact CG-CG 4.42Å; W53-L94 HydrophobicContact CH2-CB 4.38Å; W53-L94 HydrophobicContact CZ2-CB 3.76Å; W53-F108 CarbonylContact C-O 3.6Å; W53-F108 WeakPolarHBondContact CA-O 3.37Å; W53-F108 VanDerWaalsContact CE3-C 3.45Å; W53-C109 HydrophobicContact CD2-CB 4.09Å; W53-C109 HydrophobicContact CE3-CB 4.08Å; W53-C109 HydrophobicContact CH2-CB 3.86Å; W53-C109 HydrophobicContact CZ2-CB 3.86Å; W53-C109 HydrophobicContact CZ3-CB 3.95Å
54	Y	98	Very high	95.1	Very high	70 Å²	70	65.6 Å²	65.6	28%	0.275	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	152.4	172.8	-61.3	-95.7	0	0	0	109.5	L62 Q63 F64 Y107 F108 A110	Y54-L62 HydrophobicContact CD1-CD2 4.05Å; Y54-L62 HydrophobicContact CD1-CG 4.06Å; Y54-L62 HydrophobicContact CG-CD1 4.43Å; Y54-L62 HydrophobicContact CG-CD2 4.07Å; Y54-L62 HydrophobicContact CG-CG 4.15Å; Y54-Q63 CarbonylContact C-O 3.59Å; Y54-Q63 WeakPolarHBondContact CA-O 3.03Å; Y54-Q63 WeakPolarHBondContact CB-O 2.96Å; Y54-F64 HydrophobicContact CD1-CB 4.38Å; Y54-F64 HydrophobicContact CD1-CD2 4.46Å; Y54-F64 HydrophobicContact CE1-CB 4.3Å; Y54-F64 AromaticContact CE1-CD2 3.96Å; Y54-F64 HydrophobicContact CE1-CD2 3.96Å; Y54-Y107 CarbonylContact O-C 3.51Å; Y54-Y107 WeakPolarHBondContact O-CA 3.41Å; Y54-F108 PolarHBondContact N-O 3.12Å; Y54-F108 PolarHBondContact O-N 3.31Å; Y54-A110 HydrophobicContact CD2-CB 4.48Å; Y54-A110 HydrophobicContact CE2-CB 4.07Å
55	I	97.8	Very high	95.3	Very high	12 Å²	12	62.3 Å²	62.3	6%	0.062	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	138.7	177.2	-173	175.1	0	0	0	109.4	Q63 A105 V106 Y107	I55-Q63 HydrophobicContact CG2-CB 3.93Å; I55-Q63 PolarHBondContact N-O 3.31Å; I55-Q63 PolarHBondContact O-N 2.89Å; I55-A105 HydrophobicContact CD1-CB 3.82Å; I55-A105 HydrophobicContact CG1-CB 3.54Å; I55-V106 CarbonylContact C-O 3.59Å; I55-Y107 HydrophobicContact CB-CD1 4.21Å; I55-Y107 HydrophobicContact CB-CE1 4.09Å; I55-Y107 HydrophobicContact CD1-CD1 4.48Å; I55-Y107 HydrophobicContact CD1-CE1 3.61Å; I55-Y107 HydrophobicContact CD1-CE2 4.36Å; I55-Y107 VanDerWaalsContact CD1-OH 3.31Å; I55-Y107 WeakPolarHBondContact CD1-OH 3.42Å; I55-Y107 HydrophobicContact CG1-CD1 4.18Å; I55-Y107 HydrophobicContact CG1-CE1 3.78Å; I55-Y107 HydrophobicContact CG1-CE2 4.41Å
56	Q	98	Very high	95.6	Very high	72 Å²	72	59.7 Å²	59.7	34%	0.336	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	104.8	174.2	-171.7	177.5	30.6	0	0	109.7	R60 L62 A105 V106 F108	Q56-R60 WeakPolarHBondContact CG-O 3.41Å; Q56-R60 PolarHBondContact NE2-O 2.76Å; Q56-L62 HydrophobicContact CB-CD1 4.06Å; Q56-A105 WeakPolarHBondContact O-CB 3.46Å; Q56-V106 PolarHBondContact N-O 3.49Å; Q56-V106 PolarHBondContact O-N 2.73Å; Q56-F108 HydrophobicContact CB-CD2 4.47Å; Q56-F108 HydrophobicContact CB-CE2 3.86Å
57	H	97	Very high	96.1	Very high	26 Å²	26	58.8 Å²	58.8	12%	0.12	32%	0.319	C	S	.	.			trans	-73.9	155.8	169.5	-61.8	101.9	0	0	0	111.2	G59 R60 S102	H57-G59 PolarHBondContact O-N 2.8Å; H57-R60 HydrophobicContact CB-CB 4.26Å; H57-R60 HydrophobicContact CB-CG 4.28Å; H57-R60 PolarHBondContact CD2-NH2 3.04Å; H57-R60 PolarHBondContact CE1-NH2 3.14Å; H57-R60 PolarHBondContact ND1-NH2 3.22Å; H57-R60 PolarHBondContact O-N 2.77Å; H57-S102 PolarHBondContact NE2-O 3.32Å
58	H	94.9	Very high	96.6	Very high	190 Å²	190	58.7 Å²	58.7	88%	0.88	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.6	127.9	176.3	-175.1	-90	0	0	0	111.9	R60	H58-R60 PolarHBondContact O-N 3.39Å
59	G	96.5	Very high	96.9	Very high	81 Å²	81	60.6 Å²	60.6	84%	0.835	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	70.3	5.6	-179.8	0	0	0	0	0	115.5	H57	H57-G59 PolarHBondContact O-N 2.8Å
60	R	96.7	Very high	97	Very high	135 Å²	135	64.1 Å²	64.1	51%	0.509	33%	0.33	S	S	.	.	S	Bend	trans	-110.6	158.7	177.2	-60.2	-157.6	-82.5	-125.5	-0.5	111.5	Q56 H57 H58	Q56-R60 WeakPolarHBondContact CG-O 3.41Å; Q56-R60 PolarHBondContact NE2-O 2.76Å; H57-R60 HydrophobicContact CB-CB 4.26Å; H57-R60 HydrophobicContact CB-CG 4.28Å; H57-R60 PolarHBondContact CD2-NH2 3.04Å; H57-R60 PolarHBondContact CE1-NH2 3.14Å; H57-R60 PolarHBondContact ND1-NH2 3.22Å; H57-R60 PolarHBondContact O-N 2.77Å; H58-R60 PolarHBondContact O-N 3.39Å
61	G	97.5	Very high	97	Very high	52 Å²	52	62.7 Å²	62.7	54%	0.536	34%	0.343	S	S	.	.			trans	-69.5	166.6	171.6	0	0	0	0	0	112.3
62	L	97.8	Very high	96.9	Very high	96 Å²	96	67.9 Å²	67.9	50%	0.503	37%	0.371	S	S	.	.			trans	-65.6	130.4	175.2	-167.7	68.4	0	0	0	110.4	Y54 Q56 F108	Y54-L62 HydrophobicContact CD1-CD2 4.05Å; Y54-L62 HydrophobicContact CD1-CG 4.06Å; Y54-L62 HydrophobicContact CG-CD1 4.43Å; Y54-L62 HydrophobicContact CG-CD2 4.07Å; Y54-L62 HydrophobicContact CG-CG 4.15Å; Q56-L62 HydrophobicContact CB-CD1 4.06Å; L62-F108 HydrophobicContact CD1-CD2 3.45Å; L62-F108 VanDerWaalsContact CD1-CD2 3.45Å; L62-F108 HydrophobicContact CD1-CE2 3.87Å; L62-F108 HydrophobicContact CD1-CG 4.31Å
63	Q	97.7	Very high	96.9	Very high	92 Å²	92	70.3 Å²	70.3	43%	0.43	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	141.9	-179	-65.3	178.9	-24.8	0	0	110.6	Y54 I55	Y54-Q63 CarbonylContact C-O 3.59Å; Y54-Q63 WeakPolarHBondContact CA-O 3.03Å; Y54-Q63 WeakPolarHBondContact CB-O 2.96Å; I55-Q63 HydrophobicContact CG2-CB 3.93Å; I55-Q63 PolarHBondContact N-O 3.31Å; I55-Q63 PolarHBondContact O-N 2.89Å
64	F	97.4	Very high	96.8	Very high	112 Å²	112	72.6 Å²	72.6	49%	0.491	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.9	132.5	175.1	178	-102.6	0	0	0	110.9	Y54 K67	Y54-F64 HydrophobicContact CD1-CB 4.38Å; Y54-F64 HydrophobicContact CD1-CD2 4.46Å; Y54-F64 HydrophobicContact CE1-CB 4.3Å; Y54-F64 AromaticContact CE1-CD2 3.96Å; Y54-F64 HydrophobicContact CE1-CD2 3.96Å; F64-K67 HydrophobicContact CE2-CB 3.69Å; F64-K67 HydrophobicContact CE2-CD 4.4Å; F64-K67 HydrophobicContact CZ-CB 3.55Å
65	L	97.9	Very high	96.9	Very high	6 Å²	6	70.3 Å²	70.3	3%	0.031	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	-56.6	179.3	-178.8	58.1	0	0	0	112	W53 V78 F81 L94 Y107	W53-L65 HydrophobicContact CB-CB 4.25Å; W53-L65 HydrophobicContact CB-CD2 4.15Å; W53-L65 VanDerWaalsContact O-CB 3.29Å; W53-L65 WeakPolarHBondContact O-CB 3.2Å; W53-L65 PolarHBondContact O-N 3.12Å; L65-V78 HydrophobicContact CD1-CG2 3.46Å; L65-V78 VanDerWaalsContact CD1-CG2 3.46Å; L65-F81 HydrophobicContact CD1-CB 4.14Å; L65-F81 HydrophobicContact CD1-CD2 4.04Å; L65-F81 HydrophobicContact CD1-CG 4.27Å; L65-F81 HydrophobicContact CD2-CB 4.27Å; L65-F81 HydrophobicContact CD2-CD1 4.47Å; L65-F81 HydrophobicContact CD2-CD2 4.44Å; L65-F81 HydrophobicContact CD2-CG 4.14Å; L65-F81 HydrophobicContact CG-CB 4.43Å; L65-L94 HydrophobicContact CD2-CD1 3.91Å; L65-L94 HydrophobicContact CD2-CD2 3.59Å; L65-L94 HydrophobicContact CD2-CG 4.4Å; L65-Y107 HydrophobicContact CD2-CD1 3.96Å; L65-Y107 HydrophobicContact CD2-CE1 3.86Å
66	L	98.2	Very high	96.8	Very high	4 Å²	4	76.5 Å²	76.5	2%	0.021	42%	0.422	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-165	165.7	179.7	57.7	78.9	0	0	0	111.6	S52 W53 V75 A83 F92 L94	S52-L66 WeakPolarHBondContact CA-O 3.16Å; W53-L66 HydrophobicContact CB-CD1 4.11Å; W53-L66 HydrophobicContact CB-CG 4.26Å; W53-L66 HydrophobicContact CG-CD1 4.38Å; W53-L66 PolarHBondContact N-O 3.36Å; W53-L66 PolarHBondContact O-N 2.86Å; L66-V75 HydrophobicContact CB-CG1 4.03Å; L66-V75 HydrophobicContact CD1-CG1 4.38Å; L66-A83 HydrophobicContact CD1-CB 3.57Å; L66-A83 HydrophobicContact CD2-CB 4.08Å; L66-F92 HydrophobicContact CD1-CE1 3.59Å; L66-F92 HydrophobicContact CD1-CZ 3.47Å; L66-F92 VanDerWaalsContact CD1-CZ 3.47Å; L66-L94 HydrophobicContact CD2-CD1 3.64Å; L66-L94 HydrophobicContact CG-CD1 4.27Å
67	K	97.6	Very high	96.7	Very high	44 Å²	44	74.1 Å²	74.1	19%	0.191	42%	0.417	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.3	138.1	178.5	-179.2	165.8	176.1	-173.2	0	113.4	L51 S52 F64 Y69 V75	L51-K67 CarbonylContact O-C 3.56Å; L51-K67 VanDerWaalsContact O-CA 3.27Å; L51-K67 WeakPolarHBondContact O-CA 3.5Å; L51-K67 WeakPolarHBondContact O-CG 2.96Å; S52-K67 WeakPolarHBondContact OG-CD 3.26Å; S52-K67 WeakPolarHBondContact OG-CG 3.29Å; F64-K67 HydrophobicContact CE2-CB 3.69Å; F64-K67 HydrophobicContact CE2-CD 4.4Å; F64-K67 HydrophobicContact CZ-CB 3.55Å; K67-Y69 HydrophobicContact CB-CD2 4.34Å; K67-Y69 HydrophobicContact CB-CE2 3.83Å; K67-Y69 HydrophobicContact CD-CD1 4.38Å; K67-Y69 HydrophobicContact CD-CD2 4.32Å; K67-Y69 HydrophobicContact CD-CE1 3.68Å; K67-Y69 HydrophobicContact CD-CE2 3.59Å; K67-Y69 VanDerWaalsContact CD-OH 3.28Å; K67-Y69 WeakPolarHBondContact CD-OH 3.49Å; K67-Y69 HydrophobicContact CG-CD2 3.89Å; K67-Y69 HydrophobicContact CG-CE1 4.23Å; K67-Y69 HydrophobicContact CG-CE2 3.54Å; K67-Y69 HydrophobicContact CG-CG 4.39Å; K67-Y69 VanDerWaalsContact NZ-CE1 3.25Å; K67-Y69 PolarHBondContact NZ-OH 2.95Å; K67-V75 WeakPolarHBondContact O-CG1 3.37Å
68	Y	97.7	Very high	96.6	Very high	28 Å²	28	76.8 Å²	76.8	11%	0.11	44%	0.435	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	133.1	167.3	178.7	-100.8	0	0	0	110.6	L51 N72 V75 F85	L51-Y68 PolarHBondContact N-O 3.47Å; L51-Y68 PolarHBondContact O-N 3.45Å; Y68-N72 WeakPolarHBondContact CE2-O 3.37Å; Y68-V75 HydrophobicContact CD2-CG2 3.92Å; Y68-V75 HydrophobicContact CG-CG2 4.4Å; Y68-F85 HydrophobicContact CD1-CB 3.96Å; Y68-F85 AromaticContact CD1-CD1 3.93Å; Y68-F85 HydrophobicContact CD1-CD1 3.93Å; Y68-F85 AromaticContact CD1-CD2 3.96Å; Y68-F85 HydrophobicContact CD1-CD2 3.96Å; Y68-F85 HydrophobicContact CD1-CE1 4.41Å; Y68-F85 HydrophobicContact CD1-CE2 4.43Å; Y68-F85 AromaticContact CD1-CG 3.66Å; Y68-F85 HydrophobicContact CD1-CG 3.66Å; Y68-F85 HydrophobicContact CD2-CB 3.78Å; Y68-F85 HydrophobicContact CD2-CD1 4.43Å; Y68-F85 HydrophobicContact CD2-CG 4.25Å; Y68-F85 HydrophobicContact CE1-CB 4.16Å; Y68-F85 AromaticContact CE1-CD1 3.3Å; Y68-F85 HydrophobicContact CE1-CD1 3.3Å; Y68-F85 HydrophobicContact CE1-CD2 4.06Å; Y68-F85 AromaticContact CE1-CE1 3.56Å; Y68-F85 HydrophobicContact CE1-CE1 3.56Å; Y68-F85 HydrophobicContact CE1-CE2 4.27Å; Y68-F85 AromaticContact CE1-CG 3.55Å; Y68-F85 HydrophobicContact CE1-CG 3.55Å; Y68-F85 HydrophobicContact CE1-CZ 4.04Å; Y68-F85 HydrophobicContact CE2-CB 3.99Å; Y68-F85 AromaticContact CE2-CD1 3.88Å; Y68-F85 HydrophobicContact CE2-CD1 3.88Å; Y68-F85 HydrophobicContact CE2-CG 4.16Å; Y68-F85 HydrophobicContact CG-CB 3.75Å; Y68-F85 HydrophobicContact CG-CD1 4.45Å; Y68-F85 HydrophobicContact CG-CG 4.01Å; Y68-F85 AromaticContact CZ-CD1 3.26Å; Y68-F85 AromaticContact CZ-CE1 3.76Å; Y68-F85 AromaticContact CZ-CG 3.81Å; Y68-F85 WeakPolarHBondContact OH-CD1 3.34Å
69	Y	93.6	Very high	96.5	Very high	132 Å²	132	73.4 Å²	73.4	52%	0.518	42%	0.423	S	S	.	.			trans	-121.7	-51.5	175.6	-67.2	-89.4	0	0	0	113.4	Y50 K67	Y50-Y69 AromaticContact CD1-CD1 3.49Å; Y50-Y69 HydrophobicContact CD1-CD1 3.49Å; Y50-Y69 VanDerWaalsContact CD1-CD1 3.49Å; Y50-Y69 HydrophobicContact CD1-CE1 4.32Å; Y50-Y69 HydrophobicContact CD1-CG 4.19Å; Y50-Y69 AromaticContact CE1-CD1 3.75Å; Y50-Y69 HydrophobicContact CE1-CD1 3.75Å; Y50-Y69 HydrophobicContact CE1-CG 4.49Å; Y50-Y69 HydrophobicContact CG-CD1 4.41Å; K67-Y69 HydrophobicContact CB-CD2 4.34Å; K67-Y69 HydrophobicContact CB-CE2 3.83Å; K67-Y69 HydrophobicContact CD-CD1 4.38Å; K67-Y69 HydrophobicContact CD-CD2 4.32Å; K67-Y69 HydrophobicContact CD-CE1 3.68Å; K67-Y69 HydrophobicContact CD-CE2 3.59Å; K67-Y69 VanDerWaalsContact CD-OH 3.28Å; K67-Y69 WeakPolarHBondContact CD-OH 3.49Å; K67-Y69 HydrophobicContact CG-CD2 3.89Å; K67-Y69 HydrophobicContact CG-CE1 4.23Å; K67-Y69 HydrophobicContact CG-CE2 3.54Å; K67-Y69 HydrophobicContact CG-CG 4.39Å; K67-Y69 VanDerWaalsContact NZ-CE1 3.25Å; K67-Y69 PolarHBondContact NZ-OH 2.95Å
70	S	93.6	Very high	96.6	Very high	99 Å²	99	72.2 Å²	72.2	69%	0.692	41%	0.411	S	S	*	.	S	Bend	trans	-172.9	163.6	179.6	57.4	0	0	0	0	109.4
71	G	94.5	Very high	96.7	Very high	62 Å²	62	66.1 Å²	66.1	64%	0.639	39%	0.388	S	S	*	.	S	Bend	trans	86.4	-126	174.3	0	0	0	0	0	111.6	P73	G71-P73 WeakPolarHBondContact O-CD 3.38Å
72	N	96.3	Very high	96.7	Very high	109 Å²	109	67.3 Å²	67.3	58%	0.583	38%	0.379	S	S	*	.			trans	-59.2	122.4	-174.9	-170.3	-22	0	0	0	110.6	Y68 V74	Y68-N72 WeakPolarHBondContact CE2-O 3.37Å; N72-V74 PolarHBondContact O-N 2.9Å; N72-V74 PolarHBondContact OD1-N 2.82Å
73	P	97	Very high	96.7	Very high	54 Å²	54	62.7 Å²	62.7	35%	0.351	36%	0.355	S	S	.	.	S	Bend	trans	-63.3	-27.5	178.3	25.1	-34.3	0	0	0	112.7	G71 E84 F85	G71-P73 WeakPolarHBondContact O-CD 3.38Å; P73-E84 HydrophobicContact CB-CG 4.47Å; P73-E84 CarbonylContact O-C 3.58Å; P73-E84 WeakPolarHBondContact O-CA 3.19Å; P73-F85 HydrophobicContact CB-CB 4.35Å; P73-F85 VanDerWaalsContact CB-O 3.22Å; P73-F85 WeakPolarHBondContact CB-O 3.41Å; P73-F85 PolarHBondContact O-N 2.85Å
74	V	98.2	Very high	96.7	Very high	48 Å²	48	61.8 Å²	61.8	29%	0.291	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88	115.9	177.6	-175.7	0	0	0	0	110.2	N72 A83 E84	N72-V74 PolarHBondContact O-N 2.9Å; N72-V74 PolarHBondContact OD1-N 2.82Å; V74-A83 CarbonylContact C-O 3.55Å; V74-A83 WeakPolarHBondContact CA-O 3.23Å; V74-E84 HydrophobicContact CG2-CB 4.3Å; V74-E84 HydrophobicContact CG2-CG 3.99Å
75	V	98.1	Very high	96.8	Very high	23 Å²	23	57.7 Å²	57.7	14%	0.139	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	127.7	177.9	-175.6	0	0	0	0	109.5	L66 K67 Y68 K82 A83 F92	L66-V75 HydrophobicContact CB-CG1 4.03Å; L66-V75 HydrophobicContact CD1-CG1 4.38Å; K67-V75 WeakPolarHBondContact O-CG1 3.37Å; Y68-V75 HydrophobicContact CD2-CG2 3.92Å; Y68-V75 HydrophobicContact CG-CG2 4.4Å; V75-K82 CarbonylContact O-C 3.53Å; V75-K82 WeakPolarHBondContact O-CA 3.22Å; V75-K82 WeakPolarHBondContact O-CB 3.48Å; V75-A83 PolarHBondContact N-O 3.45Å; V75-A83 PolarHBondContact O-N 2.94Å; V75-F92 HydrophobicContact CB-CZ 4.5Å; V75-F92 HydrophobicContact CG2-CE2 4.22Å; V75-F92 HydrophobicContact CG2-CZ 4.28Å
76	Q	97.7	Very high	96.7	Very high	142 Å²	142	58.5 Å²	58.5	66%	0.664	34%	0.339	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-88	132.2	172.3	-55.4	-69.8	54.7	0	0	109.7
77	G	95	Very high	96.5	Very high	22 Å²	22	65.8 Å²	65.8	23%	0.227	37%	0.37	C	S	.	.			trans	-107.8	-170.5	173	0	0	0	0	0	112.7	F81	G77-F81 WeakPolarHBondContact CA-O 3.19Å; G77-F81 PolarHBondContact N-O 3.06Å
78	V	93.7	Very high	96.4	Very high	81 Å²	81	68.7 Å²	68.7	49%	0.491	40%	0.396	S	S	.	.	G	3₁₀ helix	trans	-74.2	156.7	175.2	-61.8	0	0	0	0	111.6	L65 G80 F81	L65-V78 HydrophobicContact CD1-CG2 3.46Å; L65-V78 VanDerWaalsContact CD1-CG2 3.46Å; V78-G80 PolarHBondContact O-N 3.44Å; V78-G80 VanDerWaalsContact O-N 3.14Å; V78-F81 WeakPolarHBondContact O-CD2 3.29Å; V78-F81 PolarHBondContact O-N 2.92Å
79	N	94.6	Very high	96.3	Very high	119 Å²	119	72.6 Å²	72.6	64%	0.636	42%	0.419	S	S	*	.	G	3₁₀ helix	trans	55.9	30.4	174.5	-57.8	-21.7	0	0	0	114.8	F81 K96	N79-F81 VanDerWaalsContact C-N 3.28Å; N79-F81 HydrophobicContact CB-CD2 4.48Å; N79-F81 PolarHBondContact O-N 2.83Å; N79-K96 WeakPolarHBondContact O-CE 3.38Å; N79-K96 PolarHBondContact O-NZ 3.22Å
80	G	97.2	Very high	96.5	Very high	57 Å²	57	68.5 Å²	68.5	59%	0.588	41%	0.41	S	S	*	.	G	3₁₀ helix	trans	78.5	7.1	175.9	0	0	0	0	0	115.1	V78	V78-G80 PolarHBondContact O-N 3.44Å; V78-G80 VanDerWaalsContact O-N 3.14Å
81	F	98.4	Very high	96.7	Very high	6 Å²	6	64.1 Å²	64.1	3%	0.026	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.6	144.2	166.5	-77.6	-78.6	0	0	0	110.6	L65 G77 V78 N79 L94 K96 D103 Y107	L65-F81 HydrophobicContact CD1-CB 4.14Å; L65-F81 HydrophobicContact CD1-CD2 4.04Å; L65-F81 HydrophobicContact CD1-CG 4.27Å; L65-F81 HydrophobicContact CD2-CB 4.27Å; L65-F81 HydrophobicContact CD2-CD1 4.47Å; L65-F81 HydrophobicContact CD2-CD2 4.44Å; L65-F81 HydrophobicContact CD2-CG 4.14Å; L65-F81 HydrophobicContact CG-CB 4.43Å; G77-F81 WeakPolarHBondContact CA-O 3.19Å; G77-F81 PolarHBondContact N-O 3.06Å; V78-F81 WeakPolarHBondContact O-CD2 3.29Å; V78-F81 PolarHBondContact O-N 2.92Å; N79-F81 VanDerWaalsContact C-N 3.28Å; N79-F81 HydrophobicContact CB-CD2 4.48Å; N79-F81 PolarHBondContact O-N 2.83Å; F81-L94 HydrophobicContact CB-CD1 4.09Å; F81-L94 HydrophobicContact CD1-CD1 4.05Å; F81-L94 HydrophobicContact CD1-CD2 3.87Å; F81-L94 HydrophobicContact CD1-CG 3.84Å; F81-L94 HydrophobicContact CE1-CD2 4.21Å; F81-L94 HydrophobicContact CE1-CG 4.5Å; F81-L94 HydrophobicContact CG-CD1 4.45Å; F81-K96 HydrophobicContact CD1-CB 3.77Å; F81-K96 HydrophobicContact CD1-CD 4.23Å; F81-K96 HydrophobicContact CD1-CG 4.48Å; F81-K96 HydrophobicContact CD2-CD 4.05Å; F81-K96 HydrophobicContact CE1-CB 3.68Å; F81-K96 HydrophobicContact CE1-CD 3.87Å; F81-K96 HydrophobicContact CE1-CG 4.38Å; F81-K96 HydrophobicContact CE2-CD 3.67Å; F81-K96 HydrophobicContact CG-CB 4.42Å; F81-K96 HydrophobicContact CG-CD 4.31Å; F81-K96 HydrophobicContact CZ-CB 4.25Å; F81-K96 HydrophobicContact CZ-CD 3.55Å; F81-D103 HydrophobicContact CE2-CB 4.44Å; F81-D103 WeakPolarHBondContact CE2-OD1 3.44Å; F81-D103 HydrophobicContact CZ-CB 4.1Å; F81-Y107 AromaticContact CE1-CE1 4Å; F81-Y107 HydrophobicContact CE1-CE1 4Å; F81-Y107 HydrophobicContact CE2-CE1 4.28Å; F81-Y107 WeakPolarHBondContact CE2-OH 3.45Å; F81-Y107 AromaticContact CZ-CE1 3.85Å; F81-Y107 HydrophobicContact CZ-CE1 3.85Å; F81-Y107 AromaticContact CZ-CZ 3.7Å; F81-Y107 WeakPolarHBondContact CZ-OH 3.41Å
82	K	98.6	Very high	96.8	Very high	77 Å²	77	61.2 Å²	61.2	34%	0.335	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	152.3	171.1	68	-171.6	-176	-177.1	0	109.9	V75 R95	V75-K82 CarbonylContact O-C 3.53Å; V75-K82 WeakPolarHBondContact O-CA 3.22Å; V75-K82 WeakPolarHBondContact O-CB 3.48Å; K82-R95 HydrophobicContact CD-CG 4.26Å; K82-R95 HydrophobicContact CG-CG 3.47Å; K82-R95 VanDerWaalsContact CG-CG 3.47Å; K82-R95 PolarHBondContact N-O 2.82Å; K82-R95 WeakPolarHBondContact O-CG 3.47Å; K82-R95 PolarHBondContact O-N 3.43Å; K82-R95 VanDerWaalsContact O-O 3.13Å
83	A	98.5	Very high	96.9	Very high	0 Å²	0	57.7 Å²	57.7	0%	0	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	152.7	172.9	0	0	0	0	0	110.3	L66 V74 V75 F92 H93 L94	L66-A83 HydrophobicContact CD1-CB 3.57Å; L66-A83 HydrophobicContact CD2-CB 4.08Å; V74-A83 CarbonylContact C-O 3.55Å; V74-A83 WeakPolarHBondContact CA-O 3.23Å; V75-A83 PolarHBondContact N-O 3.45Å; V75-A83 PolarHBondContact O-N 2.94Å; A83-F92 HydrophobicContact CB-CD1 4.31Å; A83-F92 HydrophobicContact CB-CD2 3.97Å; A83-F92 HydrophobicContact CB-CE1 3.95Å; A83-F92 HydrophobicContact CB-CE2 3.53Å; A83-F92 HydrophobicContact CB-CG 4.35Å; A83-F92 HydrophobicContact CB-CZ 3.54Å; A83-H93 WeakPolarHBondContact CA-O 3.38Å; A83-H93 WeakPolarHBondContact CB-O 3.4Å; A83-L94 HydrophobicContact CB-CD1 4.19Å
84	E	97.9	Very high	97	Very high	72 Å²	72	55.1 Å²	55.1	34%	0.336	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	122.9	179.9	-178.4	171.4	-172.3	0	0	110.8	P73 V74 F92 H93 R95	P73-E84 HydrophobicContact CB-CG 4.47Å; P73-E84 CarbonylContact O-C 3.58Å; P73-E84 WeakPolarHBondContact O-CA 3.19Å; V74-E84 HydrophobicContact CG2-CB 4.3Å; V74-E84 HydrophobicContact CG2-CG 3.99Å; E84-F92 WeakPolarHBondContact O-CA 3.38Å; E84-H93 PolarHBondContact N-O 3.37Å; E84-R95 VanDerWaalsContact CB-NH1 3.34Å; E84-R95 IonicContact OE2-CZ 3.84Å; E84-R95 IonicContact OE2-NH1 3.21Å; E84-R95 PolarHBondContact OE2-NH1 3.42Å; E84-R95 IonicContact OE2-NH2 3.69Å; E84-R95 PolarHBondContact OE2-NH2 2.94Å
85	F	97.6	Very high	97	Very high	27 Å²	27	55.6 Å²	55.6	12%	0.118	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	119.5	174.7	171.8	-111.7	0	0	0	110.2	Y43 I49 L51 Y68 P73 K87 F92	Y43-F85 HydrophobicContact CE1-CD2 4.39Å; Y43-F85 AromaticContact CE1-CE2 3.87Å; Y43-F85 HydrophobicContact CE1-CE2 3.87Å; Y43-F85 AromaticContact CZ-CE2 3.96Å; I49-F85 HydrophobicContact CG2-CE2 4.43Å; L51-F85 HydrophobicContact CD1-CD2 3.74Å; L51-F85 HydrophobicContact CD1-CE2 3.94Å; Y68-F85 HydrophobicContact CD1-CB 3.96Å; Y68-F85 AromaticContact CD1-CD1 3.93Å; Y68-F85 HydrophobicContact CD1-CD1 3.93Å; Y68-F85 AromaticContact CD1-CD2 3.96Å; Y68-F85 HydrophobicContact CD1-CD2 3.96Å; Y68-F85 HydrophobicContact CD1-CE1 4.41Å; Y68-F85 HydrophobicContact CD1-CE2 4.43Å; Y68-F85 AromaticContact CD1-CG 3.66Å; Y68-F85 HydrophobicContact CD1-CG 3.66Å; Y68-F85 HydrophobicContact CD2-CB 3.78Å; Y68-F85 HydrophobicContact CD2-CD1 4.43Å; Y68-F85 HydrophobicContact CD2-CG 4.25Å; Y68-F85 HydrophobicContact CE1-CB 4.16Å; Y68-F85 AromaticContact CE1-CD1 3.3Å; Y68-F85 HydrophobicContact CE1-CD1 3.3Å; Y68-F85 HydrophobicContact CE1-CD2 4.06Å; Y68-F85 AromaticContact CE1-CE1 3.56Å; Y68-F85 HydrophobicContact CE1-CE1 3.56Å; Y68-F85 HydrophobicContact CE1-CE2 4.27Å; Y68-F85 AromaticContact CE1-CG 3.55Å; Y68-F85 HydrophobicContact CE1-CG 3.55Å; Y68-F85 HydrophobicContact CE1-CZ 4.04Å; Y68-F85 HydrophobicContact CE2-CB 3.99Å; Y68-F85 AromaticContact CE2-CD1 3.88Å; Y68-F85 HydrophobicContact CE2-CD1 3.88Å; Y68-F85 HydrophobicContact CE2-CG 4.16Å; Y68-F85 HydrophobicContact CG-CB 3.75Å; Y68-F85 HydrophobicContact CG-CD1 4.45Å; Y68-F85 HydrophobicContact CG-CG 4.01Å; Y68-F85 AromaticContact CZ-CD1 3.26Å; Y68-F85 AromaticContact CZ-CE1 3.76Å; Y68-F85 AromaticContact CZ-CG 3.81Å; Y68-F85 WeakPolarHBondContact OH-CD1 3.34Å; P73-F85 HydrophobicContact CB-CB 4.35Å; P73-F85 VanDerWaalsContact CB-O 3.22Å; P73-F85 WeakPolarHBondContact CB-O 3.41Å; P73-F85 PolarHBondContact O-N 2.85Å; F85-K87 HydrophobicContact CE1-CB 3.99Å; F85-K87 HydrophobicContact CZ-CB 3.8Å; F85-K87 HydrophobicContact CZ-CG 4.33Å; F85-F92 HydrophobicContact CB-CD2 4Å; F85-F92 HydrophobicContact CB-CE2 4.29Å
86	S	96.8	Very high	97	Very high	22 Å²	22	55.2 Å²	55.2	15%	0.154	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	114.2	169.2	179.9	0	0	0	0	109.7	S88 D89 S90 S91	S86-S88 PolarHBondContact OG-OG 3.43Å; S86-D89 WeakPolarHBondContact CB-OD2 3.35Å; S86-D89 WeakPolarHBondContact OG-CB 3.18Å; S86-D89 VanDerWaalsContact OG-CG 3.26Å; S86-D89 PolarHBondContact OG-N 3.47Å; S86-D89 PolarHBondContact OG-OD2 2.76Å; S86-S90 WeakPolarHBondContact O-CA 3.43Å; S86-S90 PolarHBondContact O-N 2.76Å; S86-S90 VanDerWaalsContact O-N 3.14Å; S86-S91 WeakPolarHBondContact CB-OG 3.39Å; S86-S91 PolarHBondContact N-O 3.14Å; S86-S91 PolarHBondContact O-N 2.94Å
87	K	94.5	Very high	97	Very high	157 Å²	157	52.2 Å²	52.2	68%	0.683	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.1	-35.6	175.6	-171.9	173.8	-179.1	176.3	0	111.9	F85 D89 S90	F85-K87 HydrophobicContact CE1-CB 3.99Å; F85-K87 HydrophobicContact CZ-CB 3.8Å; F85-K87 HydrophobicContact CZ-CG 4.33Å; K87-D89 VanDerWaalsContact C-N 3.35Å; K87-S90 PolarHBondContact O-N 3Å
88	S	94.9	Very high	97.2	Very high	106 Å²	106	53.7 Å²	53.7	74%	0.741	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.1	-38.2	179.6	47.9	0	0	0	0	111.8	S86	S86-S88 PolarHBondContact OG-OG 3.43Å
89	D	96.3	Very high	97.4	Very high	109 Å²	109	50.3 Å²	50.3	58%	0.583	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.1	-1	-177.4	-48.4	-45.4	0	0	0	112.2	S86 K87 S91	S86-D89 WeakPolarHBondContact CB-OD2 3.35Å; S86-D89 WeakPolarHBondContact OG-CB 3.18Å; S86-D89 VanDerWaalsContact OG-CG 3.26Å; S86-D89 PolarHBondContact OG-N 3.47Å; S86-D89 PolarHBondContact OG-OD2 2.76Å; K87-D89 VanDerWaalsContact C-N 3.35Å; D89-S91 VanDerWaalsContact C-N 3.26Å; D89-S91 PolarHBondContact O-N 3.4Å
90	S	96.6	Very high	97.5	Very high	47 Å²	47	49.2 Å²	49.2	33%	0.329	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	49.3	47.2	-173.6	-54.8	0	0	0	0	112.2	N42 Y43 S86 K87	N42-S90 CarbonylContact C-O 3.52Å; N42-S90 VanDerWaalsContact CA-O 3.23Å; N42-S90 WeakPolarHBondContact CA-O 3.18Å; Y43-S90 WeakPolarHBondContact CD1-O 3.4Å; Y43-S90 VanDerWaalsContact CE1-CA 3.46Å; Y43-S90 PolarHBondContact N-O 3.31Å; Y43-S90 WeakPolarHBondContact O-CB 3.28Å; S86-S90 WeakPolarHBondContact O-CA 3.43Å; S86-S90 PolarHBondContact O-N 2.76Å; S86-S90 VanDerWaalsContact O-N 3.14Å; K87-S90 PolarHBondContact O-N 3Å
91	S	97.8	Very high	97.4	Very high	7 Å²	7	54.8 Å²	54.8	5%	0.049	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	154	-169.2	72.5	0	0	0	0	114.2	C41 N42 S86 D89 H93	C41-S91 CarbonylContact O-C 3.46Å; C41-S91 WeakPolarHBondContact O-CA 3.46Å; N42-S91 WeakPolarHBondContact OD1-CB 3.43Å; S86-S91 WeakPolarHBondContact CB-OG 3.39Å; S86-S91 PolarHBondContact N-O 3.14Å; S86-S91 PolarHBondContact O-N 2.94Å; D89-S91 VanDerWaalsContact C-N 3.26Å; D89-S91 PolarHBondContact O-N 3.4Å; S91-H93 VanDerWaalsContact CB-CE1 3.41Å; S91-H93 WeakPolarHBondContact CB-CE1 3.27Å
92	F	98	Very high	97.3	Very high	0 Å²	0	58.5 Å²	58.5	0%	0	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.8	66.8	172.4	-170.7	-126.4	0	0	0	111	C41 L51 W53 L66 V75 A83 E84 F85	C41-F92 PolarHBondContact O-N 3.29Å; L51-F92 HydrophobicContact CB-CB 4Å; L51-F92 HydrophobicContact CB-CD1 3.44Å; L51-F92 VanDerWaalsContact CB-CD1 3.44Å; L51-F92 HydrophobicContact CB-CD2 4.39Å; L51-F92 HydrophobicContact CB-CE1 3.88Å; L51-F92 HydrophobicContact CB-CG 3.71Å; L51-F92 HydrophobicContact CD1-CB 3.72Å; L51-F92 HydrophobicContact CD1-CG 4.21Å; L51-F92 HydrophobicContact CG-CB 4.28Å; L51-F92 VanDerWaalsContact O-CE1 3.28Å; L51-F92 WeakPolarHBondContact O-CE1 3.37Å; W53-F92 AromaticContact CD1-CD1 3.48Å; W53-F92 VanDerWaalsContact CD1-CD1 3.48Å; W53-F92 AromaticContact CD1-CE1 3.48Å; W53-F92 VanDerWaalsContact CD1-CE1 3.48Å; W53-F92 AromaticContact NE1-CD1 3.53Å; W53-F92 PolarHBondContact NE1-O 3.44Å; L66-F92 HydrophobicContact CD1-CE1 3.59Å; L66-F92 HydrophobicContact CD1-CZ 3.47Å; L66-F92 VanDerWaalsContact CD1-CZ 3.47Å; V75-F92 HydrophobicContact CB-CZ 4.5Å; V75-F92 HydrophobicContact CG2-CE2 4.22Å; V75-F92 HydrophobicContact CG2-CZ 4.28Å; A83-F92 HydrophobicContact CB-CD1 4.31Å; A83-F92 HydrophobicContact CB-CD2 3.97Å; A83-F92 HydrophobicContact CB-CE1 3.95Å; A83-F92 HydrophobicContact CB-CE2 3.53Å; A83-F92 HydrophobicContact CB-CG 4.35Å; A83-F92 HydrophobicContact CB-CZ 3.54Å; E84-F92 WeakPolarHBondContact O-CA 3.38Å; F85-F92 HydrophobicContact CB-CD2 4Å; F85-F92 HydrophobicContact CB-CE2 4.29Å
93	H	98.2	Very high	97.2	Very high	35 Å²	35	55.5 Å²	55.5	16%	0.162	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.6	134.1	-174.3	-59.1	-10.3	0	0	0	111.1	E38 L39 C41 N42 A83 E84 S91	E38-H93 HydrophobicContact CG-CB 4.08Å; E38-H93 IonicContact OE1-CD2 2.75Å; L39-H93 WeakPolarHBondContact O-CA 3.28Å; C41-H93 PolarHBondContact N-ND1 2.02Å; C41-H93 PolarHBondContact O-CE1 2.95Å; C41-H93 PolarHBondContact O-ND1 3.42Å; C41-H93 VanDerWaalsContact O-ND1 3.12Å; N42-H93 PolarHBondContact OD1-CE1 2.82Å; A83-H93 WeakPolarHBondContact CA-O 3.38Å; A83-H93 WeakPolarHBondContact CB-O 3.4Å; E84-H93 PolarHBondContact N-O 3.37Å; S91-H93 VanDerWaalsContact CB-CE1 3.41Å; S91-H93 WeakPolarHBondContact CB-CE1 3.27Å
94	L	98.4	Very high	97.1	Very high	1 Å²	1	59.5 Å²	59.5	1%	0.005	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	133.5	176.5	-176.4	70.9	0	0	0	109.2	E38 L39 W53 L65 L66 F81 A83 Y107	E38-L94 CarbonylContact C-O 3.6Å; E38-L94 VanDerWaalsContact CA-O 3.29Å; E38-L94 WeakPolarHBondContact CA-O 3.4Å; L39-L94 HydrophobicContact CB-CB 4.36Å; L39-L94 HydrophobicContact CD1-CD2 4.22Å; L39-L94 PolarHBondContact N-O 2.78Å; L39-L94 PolarHBondContact O-N 2.65Å; W53-L94 HydrophobicContact CB-CD1 4.41Å; W53-L94 HydrophobicContact CD2-CB 3.87Å; W53-L94 HydrophobicContact CD2-CD2 4Å; W53-L94 HydrophobicContact CD2-CG 4.38Å; W53-L94 HydrophobicContact CE3-CB 4.47Å; W53-L94 HydrophobicContact CE3-CD2 4.06Å; W53-L94 HydrophobicContact CG-CB 4.18Å; W53-L94 HydrophobicContact CG-CD1 4.13Å; W53-L94 HydrophobicContact CG-CD2 4.21Å; W53-L94 HydrophobicContact CG-CG 4.42Å; W53-L94 HydrophobicContact CH2-CB 4.38Å; W53-L94 HydrophobicContact CZ2-CB 3.76Å; L65-L94 HydrophobicContact CD2-CD1 3.91Å; L65-L94 HydrophobicContact CD2-CD2 3.59Å; L65-L94 HydrophobicContact CD2-CG 4.4Å; L66-L94 HydrophobicContact CD2-CD1 3.64Å; L66-L94 HydrophobicContact CG-CD1 4.27Å; F81-L94 HydrophobicContact CB-CD1 4.09Å; F81-L94 HydrophobicContact CD1-CD1 4.05Å; F81-L94 HydrophobicContact CD1-CD2 3.87Å; F81-L94 HydrophobicContact CD1-CG 3.84Å; F81-L94 HydrophobicContact CE1-CD2 4.21Å; F81-L94 HydrophobicContact CE1-CG 4.5Å; F81-L94 HydrophobicContact CG-CD1 4.45Å; A83-L94 HydrophobicContact CB-CD1 4.19Å; L94-Y107 HydrophobicContact CD2-CD1 3.55Å; L94-Y107 HydrophobicContact CD2-CE1 3.96Å; L94-Y107 HydrophobicContact CD2-CG 4.36Å
95	R	98.2	Very high	97.1	Very high	57 Å²	57	57.7 Å²	57.7	22%	0.215	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	149.7	-179.7	62.5	-177.4	84.1	118.6	-19.1	112.6	V37 E38 K82 E84	V37-R95 CarbonylContact O-C 3.53Å; V37-R95 WeakPolarHBondContact O-CA 3.29Å; E38-R95 IonicContact OE2-NE 2.75Å; K82-R95 HydrophobicContact CD-CG 4.26Å; K82-R95 HydrophobicContact CG-CG 3.47Å; K82-R95 VanDerWaalsContact CG-CG 3.47Å; K82-R95 PolarHBondContact N-O 2.82Å; K82-R95 WeakPolarHBondContact O-CG 3.47Å; K82-R95 PolarHBondContact O-N 3.43Å; K82-R95 VanDerWaalsContact O-O 3.13Å; E84-R95 VanDerWaalsContact CB-NH1 3.34Å; E84-R95 IonicContact OE2-CZ 3.84Å; E84-R95 IonicContact OE2-NH1 3.21Å; E84-R95 PolarHBondContact OE2-NH1 3.42Å; E84-R95 IonicContact OE2-NH2 3.69Å; E84-R95 PolarHBondContact OE2-NH2 2.94Å
96	K	98.3	Very high	97.1	Very high	15 Å²	15	60.1 Å²	60.1	7%	0.065	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	134.8	171.1	-173.9	170.7	-175	176.2	0	108.8	S36 V37 N79 F81 S98 V99 D103	S36-K96 CarbonylContact C-O 3.48Å; S36-K96 VanDerWaalsContact CA-O 3.28Å; S36-K96 WeakPolarHBondContact CA-O 3.35Å; V37-K96 HydrophobicContact CG1-CB 4.07Å; V37-K96 PolarHBondContact N-O 3.21Å; V37-K96 PolarHBondContact O-N 2.97Å; N79-K96 WeakPolarHBondContact O-CE 3.38Å; N79-K96 PolarHBondContact O-NZ 3.22Å; F81-K96 HydrophobicContact CD1-CB 3.77Å; F81-K96 HydrophobicContact CD1-CD 4.23Å; F81-K96 HydrophobicContact CD1-CG 4.48Å; F81-K96 HydrophobicContact CD2-CD 4.05Å; F81-K96 HydrophobicContact CE1-CB 3.68Å; F81-K96 HydrophobicContact CE1-CD 3.87Å; F81-K96 HydrophobicContact CE1-CG 4.38Å; F81-K96 HydrophobicContact CE2-CD 3.67Å; F81-K96 HydrophobicContact CG-CB 4.42Å; F81-K96 HydrophobicContact CG-CD 4.31Å; F81-K96 HydrophobicContact CZ-CB 4.25Å; F81-K96 HydrophobicContact CZ-CD 3.55Å; K96-S98 WeakPolarHBondContact CE-O 3.4Å; K96-V99 HydrophobicContact CB-CG1 4.47Å; K96-V99 HydrophobicContact CD-CG1 4.45Å; K96-D103 WeakPolarHBondContact CD-OD2 3.44Å; K96-D103 WeakPolarHBondContact CE-OD2 3.45Å; K96-D103 IonicContact NZ-OD1 2.65Å; K96-D103 PolarHBondContact NZ-OD1 2.62Å; K96-D103 IonicContact NZ-OD2 2.75Å; K96-D103 PolarHBondContact NZ-OD2 2.86Å
97	A	98.2	Very high	97.1	Very high	79 Å²	79	60.3 Å²	60.3	65%	0.653	34%	0.339	S	S	*	.	S	Bend	trans	-76.8	-28.1	-174	0	0	0	0	0	113.6	S36	S36-A97 WeakPolarHBondContact CA-O 3.26Å; S36-A97 WeakPolarHBondContact CB-O 3.14Å
98	S	98.1	Very high	97.3	Very high	53 Å²	53	56.7 Å²	56.7	37%	0.371	32%	0.324	S	S	.	.	S	Bend	trans	-147.9	106.2	-179.9	-173.2	0	0	0	0	109.3	G34 D35 K96 H100	G34-S98 WeakPolarHBondContact CA-OG 3.28Å; G34-S98 PolarHBondContact O-OG 3.34Å; D35-S98 CarbonylContact O-C 3.59Å; D35-S98 VanDerWaalsContact O-CA 3.28Å; D35-S98 WeakPolarHBondContact O-CA 3.34Å; K96-S98 WeakPolarHBondContact CE-O 3.4Å; S98-H100 PolarHBondContact O-ND1 2.75Å
99	V	98	Very high	97.4	Very high	11 Å²	11	52 Å²	52	7%	0.067	29%	0.291	C	S	.	.			trans	-79.7	151.2	-179.1	-63.6	0	0	0	0	111.9	V31 F32 G34 D35 V37 K96 D103	V31-V99 HydrophobicContact CB-CG2 4.49Å; V31-V99 HydrophobicContact CG2-CB 4.49Å; V31-V99 HydrophobicContact CG2-CG1 4.35Å; V31-V99 HydrophobicContact CG2-CG2 3.68Å; F32-V99 WeakPolarHBondContact O-CG2 3.42Å; G34-V99 PolarHBondContact N-O 3.14Å; D35-V99 WeakPolarHBondContact O-CG2 3.43Å; D35-V99 PolarHBondContact O-N 2.97Å; V37-V99 HydrophobicContact CB-CG1 3.81Å; V37-V99 HydrophobicContact CG1-CG1 3.33Å; K96-V99 HydrophobicContact CB-CG1 4.47Å; K96-V99 HydrophobicContact CD-CG1 4.45Å; V99-D103 WeakPolarHBondContact CA-OD2 3.47Å
100	H	97.7	Very high	97.4	Very high	96 Å²	96	48.4 Å²	48.4	44%	0.444	28%	0.277	S	S	.	.			trans	-123.4	158.8	175.8	-62.9	66.2	0	0	0	109.1	S98 S102 D103	S98-H100 PolarHBondContact O-ND1 2.75Å; H100-S102 PolarHBondContact O-N 3.26Å; H100-D103 PolarHBondContact N-OD2 3.49Å; H100-D103 VanDerWaalsContact O-CB 3.28Å; H100-D103 WeakPolarHBondContact O-CB 3.31Å; H100-D103 PolarHBondContact O-N 2.93Å
101	W	95.4	Very high	97.4	Very high	174 Å²	174	47.2 Å²	47.2	66%	0.659	27%	0.267	S	S	*	.	G	3₁₀ helix	trans	-53.3	-32.9	177.1	-62.5	104.5	0	0	0	113.7	E33 D103 S104	E33-W101 HydrophobicContact CB-CZ2 4.23Å; E33-W101 PolarHBondContact OE1-NE1 2.78Å; E33-W101 PolarHBondContact OE2-NE1 2.89Å; W101-D103 PolarHBondContact O-N 2.75Å; W101-S104 VanDerWaalsContact O-CB 3.3Å; W101-S104 WeakPolarHBondContact O-CB 3.39Å; W101-S104 PolarHBondContact O-N 2.82Å; W101-S104 VanDerWaalsContact O-N 3.1Å; W101-S104 PolarHBondContact O-OG 3.23Å
102	S	95.5	Very high	97.1	Very high	83 Å²	83	50 Å²	50	58%	0.58	29%	0.287	S	S	*	.	G	3₁₀ helix	trans	-67.5	-12.5	177.7	57	0	0	0	0	114.6	H57 H100 S104	H57-S102 PolarHBondContact NE2-O 3.32Å; H100-S102 PolarHBondContact O-N 3.26Å; S102-S104 VanDerWaalsContact C-N 3.31Å
103	D	97.2	Very high	97.1	Very high	14 Å²	14	52.5 Å²	52.5	8%	0.075	30%	0.301	C	S	.	.	G	3₁₀ helix	trans	-83	-7.2	172.9	-59.1	-45.4	0	0	0	112.7	F81 K96 V99 H100 W101 A105 Y107	F81-D103 HydrophobicContact CE2-CB 4.44Å; F81-D103 WeakPolarHBondContact CE2-OD1 3.44Å; F81-D103 HydrophobicContact CZ-CB 4.1Å; K96-D103 WeakPolarHBondContact CD-OD2 3.44Å; K96-D103 WeakPolarHBondContact CE-OD2 3.45Å; K96-D103 IonicContact NZ-OD1 2.65Å; K96-D103 PolarHBondContact NZ-OD1 2.62Å; K96-D103 IonicContact NZ-OD2 2.75Å; K96-D103 PolarHBondContact NZ-OD2 2.86Å; V99-D103 WeakPolarHBondContact CA-OD2 3.47Å; H100-D103 PolarHBondContact N-OD2 3.49Å; H100-D103 VanDerWaalsContact O-CB 3.28Å; H100-D103 WeakPolarHBondContact O-CB 3.31Å; H100-D103 PolarHBondContact O-N 2.93Å; W101-D103 PolarHBondContact O-N 2.75Å; D103-A105 PolarHBondContact O-N 3.43Å; D103-Y107 WeakPolarHBondContact O-CE2 3.33Å; D103-Y107 PolarHBondContact O-OH 2.94Å
104	S	96.6	Very high	97	Very high	84 Å²	84	53.4 Å²	53.4	59%	0.587	31%	0.308	S	S	*	.			trans	-65.1	105.6	177.9	-54.9	0	0	0	0	110.4	W101 S102	W101-S104 VanDerWaalsContact O-CB 3.3Å; W101-S104 WeakPolarHBondContact O-CB 3.39Å; W101-S104 PolarHBondContact O-N 2.82Å; W101-S104 VanDerWaalsContact O-N 3.1Å; W101-S104 PolarHBondContact O-OG 3.23Å; S102-S104 VanDerWaalsContact C-N 3.31Å
105	A	97	Very high	96.9	Very high	34 Å²	34	56.3 Å²	56.3	28%	0.281	33%	0.325	S	S	.	.	S	Bend	trans	-163.2	172.3	-173.2	0	0	0	0	0	111.2	I55 Q56 D103 Y107	I55-A105 HydrophobicContact CD1-CB 3.82Å; I55-A105 HydrophobicContact CG1-CB 3.54Å; Q56-A105 WeakPolarHBondContact O-CB 3.46Å; D103-A105 PolarHBondContact O-N 3.43Å; A105-Y107 HydrophobicContact CB-CD2 4.47Å; A105-Y107 HydrophobicContact CB-CE2 3.91Å; A105-Y107 WeakPolarHBondContact O-CD2 3.42Å
106	V	97.2	Very high	96.8	Very high	79 Å²	79	56.3 Å²	56.3	48%	0.479	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	135.3	165.9	-173.1	0	0	0	0	108.6	I55 Q56 F108	I55-V106 CarbonylContact C-O 3.59Å; Q56-V106 PolarHBondContact N-O 3.49Å; Q56-V106 PolarHBondContact O-N 2.73Å; V106-F108 HydrophobicContact CB-CE2 3.95Å; V106-F108 HydrophobicContact CB-CZ 4.24Å; V106-F108 HydrophobicContact CG1-CD2 4.19Å; V106-F108 HydrophobicContact CG1-CE1 4.06Å; V106-F108 HydrophobicContact CG1-CE2 3.5Å; V106-F108 HydrophobicContact CG1-CZ 3.43Å; V106-F108 VanDerWaalsContact CG1-CZ 3.43Å
107	Y	97.6	Very high	96.7	Very high	25 Å²	25	58.9 Å²	58.9	10%	0.098	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	129.7	179.7	-69.1	-99.4	0	0	0	110	Q24 L39 Y54 I55 L65 F81 L94 D103 A105	Q24-Y107 PolarHBondContact NE2-O 3.08Å; L39-Y107 HydrophobicContact CD1-CD1 4.19Å; L39-Y107 HydrophobicContact CD1-CD2 3.72Å; L39-Y107 HydrophobicContact CD1-CE2 4.46Å; L39-Y107 HydrophobicContact CD1-CG 3.56Å; Y54-Y107 CarbonylContact O-C 3.51Å; Y54-Y107 WeakPolarHBondContact O-CA 3.41Å; I55-Y107 HydrophobicContact CB-CD1 4.21Å; I55-Y107 HydrophobicContact CB-CE1 4.09Å; I55-Y107 HydrophobicContact CD1-CD1 4.48Å; I55-Y107 HydrophobicContact CD1-CE1 3.61Å; I55-Y107 HydrophobicContact CD1-CE2 4.36Å; I55-Y107 VanDerWaalsContact CD1-OH 3.31Å; I55-Y107 WeakPolarHBondContact CD1-OH 3.42Å; I55-Y107 HydrophobicContact CG1-CD1 4.18Å; I55-Y107 HydrophobicContact CG1-CE1 3.78Å; I55-Y107 HydrophobicContact CG1-CE2 4.41Å; L65-Y107 HydrophobicContact CD2-CD1 3.96Å; L65-Y107 HydrophobicContact CD2-CE1 3.86Å; F81-Y107 AromaticContact CE1-CE1 4Å; F81-Y107 HydrophobicContact CE1-CE1 4Å; F81-Y107 HydrophobicContact CE2-CE1 4.28Å; F81-Y107 WeakPolarHBondContact CE2-OH 3.45Å; F81-Y107 AromaticContact CZ-CE1 3.85Å; F81-Y107 HydrophobicContact CZ-CE1 3.85Å; F81-Y107 AromaticContact CZ-CZ 3.7Å; F81-Y107 WeakPolarHBondContact CZ-OH 3.41Å; L94-Y107 HydrophobicContact CD2-CD1 3.55Å; L94-Y107 HydrophobicContact CD2-CE1 3.96Å; L94-Y107 HydrophobicContact CD2-CG 4.36Å; D103-Y107 WeakPolarHBondContact O-CE2 3.33Å; D103-Y107 PolarHBondContact O-OH 2.94Å; A105-Y107 HydrophobicContact CB-CD2 4.47Å; A105-Y107 HydrophobicContact CB-CE2 3.91Å; A105-Y107 WeakPolarHBondContact O-CD2 3.42Å
108	F	97.5	Very high	96.6	Very high	81 Å²	81	57.5 Å²	57.5	36%	0.355	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	124.8	-178.2	-61	-88.6	0	0	0	110.3	W53 Y54 Q56 L62 V106	W53-F108 CarbonylContact C-O 3.6Å; W53-F108 WeakPolarHBondContact CA-O 3.37Å; W53-F108 VanDerWaalsContact CE3-C 3.45Å; Y54-F108 PolarHBondContact N-O 3.12Å; Y54-F108 PolarHBondContact O-N 3.31Å; Q56-F108 HydrophobicContact CB-CD2 4.47Å; Q56-F108 HydrophobicContact CB-CE2 3.86Å; L62-F108 HydrophobicContact CD1-CD2 3.45Å; L62-F108 VanDerWaalsContact CD1-CD2 3.45Å; L62-F108 HydrophobicContact CD1-CE2 3.87Å; L62-F108 HydrophobicContact CD1-CG 4.31Å; V106-F108 HydrophobicContact CB-CE2 3.95Å; V106-F108 HydrophobicContact CB-CZ 4.24Å; V106-F108 HydrophobicContact CG1-CD2 4.19Å; V106-F108 HydrophobicContact CG1-CE1 4.06Å; V106-F108 HydrophobicContact CG1-CE2 3.5Å; V106-F108 HydrophobicContact CG1-CZ 3.43Å; V106-F108 VanDerWaalsContact CG1-CZ 3.43Å
109	C	97.8	Very high	96.5	Very high	9 Å²	9	57.9 Å²	57.9	6%	0.061	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	144.9	167.4	-169.8	0	0	0	0	109.7	Q24 C41 S52 W53	Q24-C109 HydrophobicContact CG-CB 4.16Å; C41-C109 HydrophobicContact CB-CB 3.5Å; C41-C109 WeakPolarHBondContact CB-SG 3.04Å; C41-C109 WeakPolarHBondContact SG-CB 3.38Å; C41-C109 CovalentContact SG-SG 2.02Å; C41-C109 PolarHBondContact SG-SG 3.15Å; S52-C109 CarbonylContact O-C 3.49Å; S52-C109 WeakPolarHBondContact O-CA 3.23Å; W53-C109 HydrophobicContact CD2-CB 4.09Å; W53-C109 HydrophobicContact CE3-CB 4.08Å; W53-C109 HydrophobicContact CH2-CB 3.86Å; W53-C109 HydrophobicContact CZ2-CB 3.86Å; W53-C109 HydrophobicContact CZ3-CB 3.95Å
110	A	97.3	Very high	96.4	Very high	33 Å²	33	61.5 Å²	61.5	27%	0.273	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	146.7	175.8	0	0	0	0	0	111	L51 S52 Y54	L51-A110 WeakPolarHBondContact CA-O 3.28Å; S52-A110 PolarHBondContact N-O 3.31Å; S52-A110 PolarHBondContact O-N 2.9Å; Y54-A110 HydrophobicContact CD2-CB 4.48Å; Y54-A110 HydrophobicContact CE2-CB 4.07Å
111	V	95.9	Very high	96.3	Very high	22 Å²	22	58.6 Å²	58.6	13%	0.133	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	144.2	171	65.9	0	0	0	0	108.9	Q20 V22 Y45 I49 Y50 L51	Q20-V111 HydrophobicContact CB-CG1 3.76Å; V22-V111 HydrophobicContact CG1-CB 3.8Å; V22-V111 HydrophobicContact CG1-CG1 3.76Å; Y45-V111 HydrophobicContact CD1-CG2 4.41Å; I49-V111 HydrophobicContact CG2-CG2 4.11Å; Y50-V111 CarbonylContact O-C 3.57Å; Y50-V111 WeakPolarHBondContact O-CA 3.44Å; L51-V111 HydrophobicContact CD2-CB 3.72Å; L51-V111 HydrophobicContact CD2-CG2 3.9Å
112	S	91	Very high	96.4	Very high	65 Å²	65	48.1 Å²	48.1	46%	0.455	31%	0.307	S	S	.	.			trans	-146	0	172.5	62.8	0	0	0	0	111.1	Q20 Y50	Q20-S112 PolarHBondContact NE2-OXT 2.86Å; Y50-S112 WeakPolarHBondContact CB-O 3.22Å; Y50-S112 WeakPolarHBondContact CB-OG 3.37Å; Y50-S112 WeakPolarHBondContact CD2-O 3.49Å; Y50-S112 PolarHBondContact N-O 2.99Å; Y50-S112 PolarHBondContact O-N 2.81Å

Retrieved 112 of 112 residues in 146.9 ms (Link to these results)

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