A0A075B604_MOUSE Loading...

T cell receptor alpha variable 7D-5

AlphaFold DB , UniProt , Accession A0A075B604, Species MOUSE (Mus musculus, Mouse), Gene Trav7d-5, Length 112 aa.

						>A0A075B604_MOUSE|A0A075B604|Trav7d-5
MKSLSVSLVVLWLQFNWVRSQQKVQQSPESLTVSEGAMASLNCTFSDRSSDNFRWYRQHSGKGLEVLVSIFSDGEKEEGSFTAHLNRASLHVFLHIREPQPSDSALYLCAVS
					

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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	57.1	Low	70.7	Confident	211 Å²	211	110.1 Å²	110.1	100%	1.039	61%	0.61	S	S	*	*				0	-46.3	0	-70.5	172.4	65	0	0	114	S3 S5	M1-S3 PolarHBondContact O-N 3.44Å; M1-S5 PolarHBondContact O-N 3.48Å
2	K	59.5	Low	70.9	Confident	190 Å²	190	115.3 Å²	115.3	83%	0.826	61%	0.614	S	S	*	*	H	α-helix	trans	-61.1	-43	-178.7	-67.5	-178.1	177.1	178.2	0	114.6	S5 V6	K2-S5 PolarHBondContact O-N 3.22Å; K2-V6 WeakPolarHBondContact O-CG2 3.43Å; K2-V6 PolarHBondContact O-N 3.3Å
3	S	66.7	Low	70.9	Confident	93 Å²	93	115.8 Å²	115.8	65%	0.65	62%	0.616	S	S	*	*	H	α-helix	trans	-62.2	-45.2	-179.3	-176	0	0	0	0	113.1	M1 S5 V6 S7	M1-S3 PolarHBondContact O-N 3.44Å; S3-S5 VanDerWaalsContact C-N 3.3Å; S3-S5 PolarHBondContact O-N 2.98Å; S3-V6 PolarHBondContact O-N 3.09Å; S3-V6 VanDerWaalsContact O-N 3.13Å; S3-S7 PolarHBondContact O-N 3.41Å; S3-S7 PolarHBondContact O-OG 3.32Å
4	L	70.9	Confident	70.8	Confident	125 Å²	125	118.2 Å²	118.2	65%	0.654	62%	0.622	S	S	*	*	H	α-helix	trans	-57.2	-40.4	175.8	-92.9	140.4	0	0	0	112.9	S7 L8	L4-S7 PolarHBondContact O-N 3.48Å; L4-L8 WeakPolarHBondContact O-CD1 3.49Å; L4-L8 PolarHBondContact O-N 3.17Å; L4-L8 VanDerWaalsContact O-N 3.09Å
5	S	73.2	Confident	70.3	Confident	75 Å²	75	121.7 Å²	121.7	52%	0.524	63%	0.63	S	S	.	*	H	α-helix	trans	-65.6	-40.5	177.2	177.6	0	0	0	0	112	M1 K2 S3 L8 V9	M1-S5 PolarHBondContact O-N 3.48Å; K2-S5 PolarHBondContact O-N 3.22Å; S3-S5 VanDerWaalsContact C-N 3.3Å; S3-S5 PolarHBondContact O-N 2.98Å; S5-L8 PolarHBondContact O-N 3.13Å; S5-V9 WeakPolarHBondContact O-CG2 3.45Å; S5-V9 PolarHBondContact O-N 3.34Å; S5-V9 VanDerWaalsContact O-N 3.17Å
6	V	74.8	Confident	69.8	Low	91 Å²	91	122.1 Å²	122.1	55%	0.552	63%	0.634	S	S	*	*	H	α-helix	trans	-65.7	-44.2	176.7	177.8	0	0	0	0	111	K2 S3 L8 V9 V10	K2-V6 WeakPolarHBondContact O-CG2 3.43Å; K2-V6 PolarHBondContact O-N 3.3Å; S3-V6 PolarHBondContact O-N 3.09Å; S3-V6 VanDerWaalsContact O-N 3.13Å; V6-L8 VanDerWaalsContact C-N 3.33Å; V6-L8 PolarHBondContact O-N 3.23Å; V6-V9 PolarHBondContact O-N 3.48Å; V6-V10 HydrophobicContact CG1-CG2 4.49Å; V6-V10 WeakPolarHBondContact O-CG2 3.47Å; V6-V10 PolarHBondContact O-N 3.26Å
7	S	74.8	Confident	69.8	Low	63 Å²	63	128 Å²	128	44%	0.441	65%	0.646	S	S	.	*	H	α-helix	trans	-60.8	-39.6	177.2	-59.6	0	0	0	0	112.7	S3 L4 L11	S3-S7 PolarHBondContact O-N 3.41Å; S3-S7 PolarHBondContact O-OG 3.32Å; L4-S7 PolarHBondContact O-N 3.48Å; S7-L11 PolarHBondContact O-N 3.04Å; S7-L11 VanDerWaalsContact O-N 3.1Å
8	L	76.8	Confident	69.9	Low	96 Å²	96	128.6 Å²	128.6	50%	0.503	66%	0.657	S	S	.	*	H	α-helix	trans	-60.6	-51.6	173.4	-104.5	89.8	0	0	0	111	L4 S5 V6 V10 L11 W12	L4-L8 WeakPolarHBondContact O-CD1 3.49Å; L4-L8 PolarHBondContact O-N 3.17Å; L4-L8 VanDerWaalsContact O-N 3.09Å; S5-L8 PolarHBondContact O-N 3.13Å; V6-L8 VanDerWaalsContact C-N 3.33Å; V6-L8 PolarHBondContact O-N 3.23Å; L8-V10 VanDerWaalsContact C-N 3.3Å; L8-V10 PolarHBondContact O-N 3.45Å; L8-L11 WeakPolarHBondContact O-CA 3.36Å; L8-L11 WeakPolarHBondContact O-CB 3.42Å; L8-L11 PolarHBondContact O-N 2.97Å; L8-W12 PolarHBondContact O-N 3.46Å
9	V	78.3	Confident	69.8	Low	79 Å²	79	132.9 Å²	132.9	48%	0.479	66%	0.664	S	S	.	*	H	α-helix	trans	-58.2	-41.4	-177.3	173.6	0	0	0	0	111.8	S5 V6 W12 L13	S5-V9 WeakPolarHBondContact O-CG2 3.45Å; S5-V9 PolarHBondContact O-N 3.34Å; S5-V9 VanDerWaalsContact O-N 3.17Å; V6-V9 PolarHBondContact O-N 3.48Å; V9-W12 PolarHBondContact O-N 3.22Å; V9-L13 HydrophobicContact CG1-CD1 4.33Å; V9-L13 WeakPolarHBondContact O-CG 3.35Å; V9-L13 PolarHBondContact O-N 2.94Å; V9-L13 VanDerWaalsContact O-N 3.12Å
10	V	74.2	Confident	69.9	Low	76 Å²	76	131.7 Å²	131.7	46%	0.461	67%	0.668	S	S	.	*	H	α-helix	trans	-64.2	-41.5	175.4	175.9	0	0	0	0	111.3	V6 L8 W12 L13 Q14	V6-V10 HydrophobicContact CG1-CG2 4.49Å; V6-V10 WeakPolarHBondContact O-CG2 3.47Å; V6-V10 PolarHBondContact O-N 3.26Å; L8-V10 VanDerWaalsContact C-N 3.3Å; L8-V10 PolarHBondContact O-N 3.45Å; V10-W12 PolarHBondContact O-N 3.32Å; V10-L13 PolarHBondContact O-N 3.04Å; V10-Q14 WeakPolarHBondContact O-CG 3.42Å; V10-Q14 PolarHBondContact O-N 3.1Å
11	L	70.9	Confident	69.9	Low	112 Å²	112	133 Å²	133	59%	0.586	67%	0.672	S	S	*	*	H	α-helix	trans	-62	-40.5	175	-109.7	89.5	0	0	0	112.5	S7 L8 L13 Q14 F15	S7-L11 PolarHBondContact O-N 3.04Å; S7-L11 VanDerWaalsContact O-N 3.1Å; L8-L11 WeakPolarHBondContact O-CA 3.36Å; L8-L11 WeakPolarHBondContact O-CB 3.42Å; L8-L11 PolarHBondContact O-N 2.97Å; L11-L13 VanDerWaalsContact C-N 3.33Å; L11-L13 PolarHBondContact O-N 3.32Å; L11-Q14 PolarHBondContact O-N 3.31Å; L11-F15 PolarHBondContact O-N 3.32Å
12	W	74.2	Confident	70.7	Confident	173 Å²	173	129 Å²	129	66%	0.655	65%	0.651	S	S	*	*	H	α-helix	trans	-63	-38	176.1	-70.6	104.9	0	0	0	112.4	L8 V9 V10 Q14 F15 N16	L8-W12 PolarHBondContact O-N 3.46Å; V9-W12 PolarHBondContact O-N 3.22Å; V10-W12 PolarHBondContact O-N 3.32Å; W12-Q14 VanDerWaalsContact C-N 3.32Å; W12-Q14 PolarHBondContact O-N 2.85Å; W12-F15 PolarHBondContact O-N 2.83Å; W12-N16 PolarHBondContact O-ND2 3.02Å
13	L	70.1	Confident	72	Confident	121 Å²	121	123.9 Å²	123.9	63%	0.634	63%	0.629	S	S	*	*	H	α-helix	trans	-65.7	-34	178.2	-73.3	166.3	0	0	0	112.4	V9 V10 L11	V9-L13 HydrophobicContact CG1-CD1 4.33Å; V9-L13 WeakPolarHBondContact O-CG 3.35Å; V9-L13 PolarHBondContact O-N 2.94Å; V9-L13 VanDerWaalsContact O-N 3.12Å; V10-L13 PolarHBondContact O-N 3.04Å; L11-L13 VanDerWaalsContact C-N 3.33Å; L11-L13 PolarHBondContact O-N 3.32Å
14	Q	69.1	Low	73.4	Confident	150 Å²	150	121 Å²	121	70%	0.701	61%	0.607	S	S	*	*	H	α-helix	trans	-73.8	-28.8	177.6	-61	-61.3	-53.4	0	0	112.9	V10 L11 W12 N16	V10-Q14 WeakPolarHBondContact O-CG 3.42Å; V10-Q14 PolarHBondContact O-N 3.1Å; L11-Q14 PolarHBondContact O-N 3.31Å; W12-Q14 VanDerWaalsContact C-N 3.32Å; W12-Q14 PolarHBondContact O-N 2.85Å; Q14-N16 VanDerWaalsContact C-N 3.28Å; Q14-N16 PolarHBondContact O-N 2.93Å
15	F	63.3	Low	74.6	Confident	170 Å²	170	120.2 Å²	120.2	75%	0.746	60%	0.6	S	S	*	*	H	α-helix	trans	-72.8	-15.8	-178.3	-104.4	-85	0	0	0	114.4	L11 W12	L11-F15 PolarHBondContact O-N 3.32Å; W12-F15 PolarHBondContact O-N 2.83Å
16	N	62.9	Low	75.8	Confident	129 Å²	129	119 Å²	119	69%	0.69	59%	0.586	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.7	5.6	-171.3	-78.2	-72.7	0	0	0	115.5	W12 Q14	W12-N16 PolarHBondContact O-ND2 3.02Å; Q14-N16 VanDerWaalsContact C-N 3.28Å; Q14-N16 PolarHBondContact O-N 2.93Å
17	W	70.4	Confident	76.9	Confident	222 Å²	222	117.3 Å²	117.3	84%	0.841	58%	0.578	S	S	*	*			trans	-130.5	60.3	-177.4	-150.5	-68.6	0	0	0	113.7
18	V	70.6	Confident	78	Confident	138 Å²	138	117 Å²	117	84%	0.836	58%	0.575	S	S	*	*			trans	-113.6	95.4	155.3	-176.5	0	0	0	0	107.5	S20	V18-S20 PolarHBondContact O-N 3.4Å
19	R	69.2	Low	79	Confident	212 Å²	212	121.4 Å²	121.4	80%	0.8	59%	0.592	S	S	*	*			trans	-87	104.7	172.2	-156.8	174.8	-170.2	-179.1	2	107.5	Q21	R19-Q21 PolarHBondContact O-N 3.19Å; R19-Q21 VanDerWaalsContact O-N 3.16Å
20	S	70.5	Confident	79.9	Confident	107 Å²	107	122.4 Å²	122.4	75%	0.748	60%	0.603	S	S	*	*			trans	-67.6	110.1	169.5	-175.7	0	0	0	0	108.3	V18 Q22	V18-S20 PolarHBondContact O-N 3.4Å; S20-Q22 PolarHBondContact O-N 3.46Å
21	Q	70.1	Confident	81	Confident	160 Å²	160	122.5 Å²	122.5	75%	0.748	60%	0.6	S	S	*	*			trans	-80.9	90	169.2	-71.6	-98.7	57.1	0	0	106.8	R19 K23	R19-Q21 PolarHBondContact O-N 3.19Å; R19-Q21 VanDerWaalsContact O-N 3.16Å; Q21-K23 PolarHBondContact O-N 3.2Å
22	Q	74.2	Confident	82.3	Confident	126 Å²	126	123.8 Å²	123.8	59%	0.589	61%	0.613	S	S	*	*			trans	-64.7	109.9	174.5	-168.6	-177.6	-75.1	0	0	108.7	S20 V24	S20-Q22 PolarHBondContact O-N 3.46Å; Q22-V24 VanDerWaalsContact CG-O 3.24Å; Q22-V24 WeakPolarHBondContact CG-O 3.44Å; Q22-V24 PolarHBondContact NE2-O 3.35Å
23	K	87.4	Confident	83.4	Confident	84 Å²	84	118.4 Å²	118.4	37%	0.365	60%	0.599	S	S	.	*			trans	-79.9	-20.1	-175.9	-69.1	-170.6	175.2	-169	0	113.7	Q21 F45 S46 V111 S112	Q21-K23 PolarHBondContact O-N 3.2Å; K23-F45 CarbonylContact O-C 3.57Å; K23-F45 VanDerWaalsContact O-CA 3.27Å; K23-F45 WeakPolarHBondContact O-CA 3.46Å; K23-S46 PolarHBondContact O-N 2.99Å; K23-S46 PolarHBondContact O-OG 2.95Å; K23-V111 HydrophobicContact CB-CG1 3.78Å; K23-V111 HydrophobicContact CD-CG1 4.16Å; K23-S112 PolarHBondContact NZ-OXT 3.05Å
24	V	95.6	Very high	84.6	Confident	32 Å²	32	117 Å²	117	19%	0.194	60%	0.599	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-138.2	151.7	-173.9	-64.7	0	0	0	0	112.6	Q22 T44 F45 V111	Q22-V24 VanDerWaalsContact CG-O 3.24Å; Q22-V24 WeakPolarHBondContact CG-O 3.44Å; Q22-V24 PolarHBondContact NE2-O 3.35Å; V24-T44 CarbonylContact C-O 3.53Å; V24-T44 WeakPolarHBondContact CA-O 3.27Å; V24-F45 HydrophobicContact CG1-CB 4.04Å; V24-V111 HydrophobicContact CG1-CB 4.03Å; V24-V111 HydrophobicContact CG1-CG1 3.41Å; V24-V111 VanDerWaalsContact CG1-CG1 3.41Å
25	Q	96.9	Very high	85.9	Confident	108 Å²	108	116.6 Å²	116.6	51%	0.505	60%	0.598	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-134.1	125	172.5	-178.4	68.8	-4.3	0	0	109.3	T44	Q25-T44 PolarHBondContact N-O 3.12Å; Q25-T44 PolarHBondContact O-N 3.28Å
26	Q	98.1	Very high	87.4	Confident	51 Å²	51	110.5 Å²	110.5	24%	0.238	58%	0.583	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-96.4	147	180	-80.4	178.6	-135.4	0	0	112.5	N42 C43 Y107 C109	Q26-N42 CarbonylContact C-O 3.58Å; Q26-N42 VanDerWaalsContact CA-O 3.29Å; Q26-N42 WeakPolarHBondContact CA-O 3.44Å; Q26-C43 HydrophobicContact CG-CB 4.32Å; Q26-Y107 PolarHBondContact NE2-O 3.46Å; Q26-C109 HydrophobicContact CG-CB 4.1Å
27	S	98.2	Very high	89	Confident	54 Å²	54	106.5 Å²	106.5	38%	0.378	57%	0.568	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-150.3	143.1	173.4	64.4	0	0	0	0	111.8	N42	S27-N42 PolarHBondContact N-O 3.36Å; S27-N42 PolarHBondContact O-N 3.34Å
28	P	98	Very high	90.2	Very high	57 Å²	57	101.9 Å²	101.9	37%	0.37	56%	0.557	S	S	.	*			cis	-69.3	165.6	-12.1	33.3	-37.6	0	0	0	111.6	S30 L31	P28-S30 VanDerWaalsContact C-N 3.29Å; P28-L31 HydrophobicContact CG-CB 3.95Å; P28-L31 HydrophobicContact CG-CD1 4.26Å
29	E	96.7	Very high	91.5	Very high	188 Å²	188	95.6 Å²	95.6	88%	0.879	52%	0.519	S	S	*	.	S	Bend	trans	-67	-33.1	175.7	-67.4	-179.7	-178.4	0	0	112.3
30	S	97.5	Very high	92.9	Very high	100 Å²	100	87.7 Å²	87.7	70%	0.699	50%	0.497	S	S	*	.	S	Bend	trans	-141.6	141	174.7	62.1	0	0	0	0	109.4	P28	P28-S30 VanDerWaalsContact C-N 3.29Å
31	L	97.5	Very high	94.3	Very high	78 Å²	78	83.5 Å²	83.5	41%	0.408	47%	0.466	S	S	.	.			trans	-129.9	131.4	178.8	-178.8	61.1	0	0	0	109.5	P28 V33 A39 L41	P28-L31 HydrophobicContact CG-CB 3.95Å; P28-L31 HydrophobicContact CG-CD1 4.26Å; L31-V33 HydrophobicContact CD1-CG1 3.97Å; L31-V33 HydrophobicContact CD2-CG1 4.09Å; L31-V33 HydrophobicContact CG-CG1 3.88Å; L31-A39 HydrophobicContact CD2-CB 3.88Å; L31-L41 HydrophobicContact CB-CD2 4.32Å; L31-L41 HydrophobicContact CD2-CD2 4.2Å
32	T	97.6	Very high	95.6	Very high	139 Å²	139	77 Å²	77	85%	0.853	44%	0.436	S	S	*	.			trans	-120.2	125.7	169.3	-55.4	0	0	0	0	107.7
33	V	96.7	Very high	96.7	Very high	60 Å²	60	71 Å²	71	36%	0.364	41%	0.408	S	S	.	.			trans	-130	155.2	179.7	-68.6	0	0	0	0	109.9	L31 A39 P99	L31-V33 HydrophobicContact CD1-CG1 3.97Å; L31-V33 HydrophobicContact CD2-CG1 4.09Å; L31-V33 HydrophobicContact CG-CG1 3.88Å; V33-A39 HydrophobicContact CG1-CB 4.1Å; V33-A39 HydrophobicContact CG2-CB 4Å; V33-P99 HydrophobicContact CG2-CB 4.32Å; V33-P99 HydrophobicContact CG2-CG 4.35Å
34	S	96.6	Very high	97.2	Very high	91 Å²	91	69.2 Å²	69.2	64%	0.636	40%	0.404	S	S	*	.			trans	-71.2	148.7	169.1	-58.8	0	0	0	0	110.5	G36 A37	S34-G36 PolarHBondContact O-N 3.45Å; S34-A37 VanDerWaalsContact O-CB 3.32Å; S34-A37 WeakPolarHBondContact O-CB 3.45Å; S34-A37 PolarHBondContact O-N 3.28Å
35	E	95.8	Very high	97.3	Very high	142 Å²	142	68 Å²	68	66%	0.664	40%	0.396	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.7	137.7	171.1	-176.5	174.7	-174.5	0	0	110.9	A37 P99	E35-A37 PolarHBondContact O-N 2.96Å; E35-A37 VanDerWaalsContact O-N 3.1Å; E35-P99 WeakPolarHBondContact CA-O 3.31Å
36	G	94.6	Very high	97.1	Very high	42 Å²	42	66.8 Å²	66.8	43%	0.433	40%	0.4	S	S	.	.	T	Hydrogen-bonded Turn	trans	76.6	-17.6	-177.5	0	0	0	0	0	115	S34 P99	S34-G36 PolarHBondContact O-N 3.45Å; G36-P99 PolarHBondContact N-O 3.47Å
37	A	96.2	Very high	96.8	Very high	45 Å²	45	67.1 Å²	67.1	37%	0.372	40%	0.403	S	S	.	.	S	Bend	trans	-80.9	124.3	175.9	0	0	0	0	0	110.4	S34 E35 A39 P99	S34-A37 VanDerWaalsContact O-CB 3.32Å; S34-A37 WeakPolarHBondContact O-CB 3.45Å; S34-A37 PolarHBondContact O-N 3.28Å; E35-A37 PolarHBondContact O-N 2.96Å; E35-A37 VanDerWaalsContact O-N 3.1Å; A37-A39 PolarHBondContact O-N 2.81Å; A37-P99 WeakPolarHBondContact O-CD 3.4Å; A37-P99 WeakPolarHBondContact O-CG 3.46Å
38	M	96.9	Very high	96.5	Very high	126 Å²	126	72.9 Å²	72.9	62%	0.621	42%	0.417	S	S	*	.	P	Polyproline II helix	trans	-52.5	128.2	-178.8	179.1	171.4	53.5	0	0	112.1
39	A	97.9	Very high	96.2	Very high	5 Å²	5	74.3 Å²	74.3	4%	0.041	43%	0.428	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	148.5	173	0	0	0	0	0	110.5	L31 V33 A37 H95 I96 P99	L31-A39 HydrophobicContact CD2-CB 3.88Å; V33-A39 HydrophobicContact CG1-CB 4.1Å; V33-A39 HydrophobicContact CG2-CB 4Å; A37-A39 PolarHBondContact O-N 2.81Å; A39-H95 WeakPolarHBondContact O-CA 3.32Å; A39-I96 HydrophobicContact CB-CB 4.15Å; A39-I96 HydrophobicContact CB-CD1 4.37Å; A39-I96 HydrophobicContact CB-CG1 4.4Å; A39-I96 PolarHBondContact N-O 2.64Å; A39-I96 VanDerWaalsContact N-O 3.13Å; A39-I96 PolarHBondContact O-N 3.47Å; A39-P99 HydrophobicContact CB-CG 3.9Å
40	S	98.4	Very high	96	Very high	47 Å²	47	65.4 Å²	65.4	33%	0.329	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	128.6	178.4	-53.3	0	0	0	0	110.8	L94 H95	S40-L94 WeakPolarHBondContact CA-O 3.36Å; S40-H95 PolarHBondContact OG-CD2 2.87Å; S40-H95 VanDerWaalsContact OG-CD2 3.25Å
41	L	98.6	Very high	95.7	Very high	18 Å²	18	65.4 Å²	65.4	9%	0.094	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	142.7	173.6	-62.6	170.6	0	0	0	108.6	L31 W55 F93 L94 Y107	L31-L41 HydrophobicContact CB-CD2 4.32Å; L31-L41 HydrophobicContact CD2-CD2 4.2Å; L41-W55 HydrophobicContact CB-CH2 3.8Å; L41-W55 HydrophobicContact CB-CZ3 4.19Å; L41-W55 HydrophobicContact CD1-CZ3 4.38Å; L41-F93 CarbonylContact O-C 3.58Å; L41-F93 VanDerWaalsContact O-CA 3.25Å; L41-F93 WeakPolarHBondContact O-CA 3.14Å; L41-L94 HydrophobicContact CB-CB 4.4Å; L41-L94 HydrophobicContact CD1-CD2 4.32Å; L41-L94 PolarHBondContact N-O 3.05Å; L41-L94 PolarHBondContact O-N 3.5Å; L41-Y107 VanDerWaalsContact CD1-CB 3.46Å; L41-Y107 HydrophobicContact CD1-CD1 4.44Å; L41-Y107 HydrophobicContact CD1-CD2 4.17Å; L41-Y107 HydrophobicContact CD1-CG 3.79Å
42	N	98.5	Very high	95.6	Very high	23 Å²	23	63 Å²	63	12%	0.123	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	142.2	176.3	-177.5	18.5	0	0	0	110.1	Q26 S27 H91 F93	Q26-N42 CarbonylContact C-O 3.58Å; Q26-N42 VanDerWaalsContact CA-O 3.29Å; Q26-N42 WeakPolarHBondContact CA-O 3.44Å; S27-N42 PolarHBondContact N-O 3.36Å; S27-N42 PolarHBondContact O-N 3.34Å; N42-H91 PolarHBondContact ND2-CE1 3.03Å; N42-H91 PolarHBondContact ND2-ND1 3.45Å; N42-H91 PolarHBondContact OD1-ND1 2.96Å; N42-H91 VanDerWaalsContact OD1-ND1 3.16Å; N42-F93 HydrophobicContact CB-CD1 3.77Å; N42-F93 HydrophobicContact CB-CE1 3.58Å; N42-F93 HydrophobicContact CB-CZ 4.46Å; N42-F93 VanDerWaalsContact CG-CE1 3.47Å
43	C	98.2	Very high	95.6	Very high	0 Å²	0	56.4 Å²	56.4	0%	0	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	111.8	170.6	178.2	0	0	0	0	108.7	Q26 W55 H91 V92 C109	Q26-C43 HydrophobicContact CG-CB 4.32Å; C43-W55 HydrophobicContact CB-CH2 3.84Å; C43-W55 HydrophobicContact CB-CZ2 3.62Å; C43-H91 CarbonylContact O-C 3.42Å; C43-H91 WeakPolarHBondContact O-CA 3.39Å; C43-V92 HydrophobicContact CB-CB 4.29Å; C43-V92 WeakPolarHBondContact CB-O 3.46Å; C43-V92 PolarHBondContact N-O 3.32Å; C43-V92 PolarHBondContact O-N 2.92Å; C43-C109 HydrophobicContact CB-CB 3.41Å; C43-C109 VanDerWaalsContact CB-CB 3.41Å; C43-C109 WeakPolarHBondContact CB-SG 3.33Å; C43-C109 WeakPolarHBondContact SG-CB 3.14Å; C43-C109 CovalentContact SG-SG 2.03Å; C43-C109 PolarHBondContact SG-SG 2.94Å
44	T	97.7	Very high	95.6	Very high	48 Å²	48	57.4 Å²	57.4	29%	0.294	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	130.7	175.2	-50.6	0	0	0	0	109	V24 Q25 L90 H91	V24-T44 CarbonylContact C-O 3.53Å; V24-T44 WeakPolarHBondContact CA-O 3.27Å; Q25-T44 PolarHBondContact N-O 3.12Å; Q25-T44 PolarHBondContact O-N 3.28Å; T44-L90 CarbonylContact C-O 3.53Å; T44-L90 VanDerWaalsContact CA-O 3.29Å; T44-L90 WeakPolarHBondContact CA-O 3.43Å; T44-H91 PolarHBondContact OG1-CE1 3.37Å; T44-H91 PolarHBondContact OG1-ND1 2.86Å
45	F	96.1	Very high	95.7	Very high	5 Å²	5	53.1 Å²	53.1	2%	0.022	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	155.6	177.8	62.4	-87	0	0	0	111.9	K23 V24 D47 F53 L85 R87 L90 V92	K23-F45 CarbonylContact O-C 3.57Å; K23-F45 VanDerWaalsContact O-CA 3.27Å; K23-F45 WeakPolarHBondContact O-CA 3.46Å; V24-F45 HydrophobicContact CG1-CB 4.04Å; F45-D47 VanDerWaalsContact CD2-O 3.28Å; F45-D47 WeakPolarHBondContact CD2-O 3.4Å; F45-D47 WeakPolarHBondContact CE2-O 3.41Å; F45-F53 HydrophobicContact CB-CE1 4.29Å; F45-F53 HydrophobicContact CD1-CD1 4.38Å; F45-F53 AromaticContact CD1-CE1 3.53Å; F45-F53 HydrophobicContact CD1-CE1 3.53Å; F45-F53 HydrophobicContact CD1-CZ 4.16Å; F45-F53 AromaticContact CD2-CE1 3.94Å; F45-F53 HydrophobicContact CD2-CE1 3.94Å; F45-F53 HydrophobicContact CD2-CZ 4.12Å; F45-F53 AromaticContact CE1-CE1 3.64Å; F45-F53 HydrophobicContact CE1-CE1 3.64Å; F45-F53 AromaticContact CE1-CZ 3.83Å; F45-F53 HydrophobicContact CE1-CZ 3.83Å; F45-F53 HydrophobicContact CE2-CE1 4.04Å; F45-F53 AromaticContact CE2-CZ 3.79Å; F45-F53 HydrophobicContact CE2-CZ 3.79Å; F45-F53 AromaticContact CG-CE1 3.67Å; F45-F53 HydrophobicContact CG-CE1 3.67Å; F45-F53 HydrophobicContact CG-CZ 4.28Å; F45-F53 AromaticContact CZ-CE1 3.89Å; F45-F53 HydrophobicContact CZ-CE1 3.89Å; F45-F53 AromaticContact CZ-CZ 3.63Å; F45-F53 HydrophobicContact CZ-CZ 3.63Å; F45-L85 HydrophobicContact CE1-CD1 3.85Å; F45-L85 HydrophobicContact CZ-CD1 4.11Å; F45-R87 HydrophobicContact CZ-CG 4.35Å; F45-L90 VanDerWaalsContact CD1-C 3.43Å; F45-L90 HydrophobicContact CD1-CB 4.36Å; F45-L90 WeakPolarHBondContact CD1-O 3.4Å; F45-L90 HydrophobicContact CD2-CB 4.42Å; F45-L90 HydrophobicContact CD2-CD2 4.06Å; F45-L90 VanDerWaalsContact CE1-CA 3.47Å; F45-L90 HydrophobicContact CE1-CB 4.26Å; F45-L90 WeakPolarHBondContact CE1-O 3.37Å; F45-L90 HydrophobicContact CE2-CB 4.3Å; F45-L90 HydrophobicContact CE2-CD2 3.5Å; F45-L90 VanDerWaalsContact CE2-CD2 3.5Å; F45-L90 HydrophobicContact CG-CB 4.46Å; F45-L90 HydrophobicContact CZ-CB 4.23Å; F45-L90 HydrophobicContact CZ-CD2 3.88Å; F45-L90 PolarHBondContact N-O 3.45Å; F45-L90 WeakPolarHBondContact O-CB 3.42Å; F45-V92 HydrophobicContact CD1-CG2 3.94Å; F45-V92 HydrophobicContact CE1-CG2 3.97Å
46	S	94.3	Very high	95.8	Very high	84 Å²	84	48.6 Å²	48.6	59%	0.587	27%	0.27	S	S	*	.	S	Bend	trans	-99.4	-23.5	-176	60.8	0	0	0	0	114.2	K23	K23-S46 PolarHBondContact O-N 2.99Å; K23-S46 PolarHBondContact O-OG 2.95Å
47	D	92	Very high	96	Very high	57 Å²	57	48.7 Å²	48.7	31%	0.305	26%	0.257	S	S	.	.			trans	-105	112.2	-172.3	-173.5	-6.2	0	0	0	111.7	F45 S49 S50	F45-D47 VanDerWaalsContact CD2-O 3.28Å; F45-D47 WeakPolarHBondContact CD2-O 3.4Å; F45-D47 WeakPolarHBondContact CE2-O 3.41Å; D47-S49 PolarHBondContact O-N 2.72Å; D47-S49 WeakPolarHBondContact OD1-CB 3.43Å; D47-S49 PolarHBondContact OD1-N 2.7Å; D47-S49 PolarHBondContact OD1-OG 3.1Å; D47-S49 PolarHBondContact OD2-OG 2.89Å; D47-S49 VanDerWaalsContact OD2-OG 3.13Å; D47-S50 VanDerWaalsContact O-CB 3.31Å; D47-S50 WeakPolarHBondContact O-CB 3.29Å; D47-S50 PolarHBondContact O-N 3.42Å; D47-S50 PolarHBondContact O-OG 2.92Å
48	R	90.2	Very high	96.1	Very high	176 Å²	176	49.8 Å²	49.8	66%	0.664	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.5	-20.8	177.8	-78.3	178.4	177.7	164.3	0.9	113.8	S50 R87 L90	R48-S50 VanDerWaalsContact C-N 3.31Å; R48-R87 PolarHBondContact O-NH2 2.91Å; R48-L90 HydrophobicContact CG-CD2 3.49Å; R48-L90 VanDerWaalsContact CG-CD2 3.49Å
49	S	91.6	Very high	96.1	Very high	87 Å²	87	46.3 Å²	46.3	61%	0.608	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	-78.8	-16.5	178.7	72.1	0	0	0	0	112.9	D47 D51	D47-S49 PolarHBondContact O-N 2.72Å; D47-S49 WeakPolarHBondContact OD1-CB 3.43Å; D47-S49 PolarHBondContact OD1-N 2.7Å; D47-S49 PolarHBondContact OD1-OG 3.1Å; D47-S49 PolarHBondContact OD2-OG 2.89Å; D47-S49 VanDerWaalsContact OD2-OG 3.13Å; S49-D51 PolarHBondContact O-N 2.89Å
50	S	92.5	Very high	96	Very high	1 Å²	1	51.8 Å²	51.8	1%	0.007	28%	0.275	C	S	.	.			trans	-58.5	129.2	176.3	-75.2	0	0	0	0	112.9	D47 R48 F53 R87 V111	D47-S50 VanDerWaalsContact O-CB 3.31Å; D47-S50 WeakPolarHBondContact O-CB 3.29Å; D47-S50 PolarHBondContact O-N 3.42Å; D47-S50 PolarHBondContact O-OG 2.92Å; R48-S50 VanDerWaalsContact C-N 3.31Å; S50-F53 WeakPolarHBondContact O-CE2 3.38Å; S50-F53 WeakPolarHBondContact O-CZ 3.42Å; S50-R87 VanDerWaalsContact O-CZ 3.24Å; S50-R87 PolarHBondContact O-NH1 3.13Å; S50-R87 VanDerWaalsContact O-NH1 3.14Å; S50-R87 PolarHBondContact O-NH2 3.29Å; S50-V111 WeakPolarHBondContact OG-CG2 3.49Å
51	D	91.7	Very high	95.9	Very high	99 Å²	99	53.7 Å²	53.7	53%	0.529	30%	0.303	S	S	.	.			trans	-123.8	-5.7	-170.3	63.2	-2.6	0	0	0	114.3	S49 F71	S49-D51 PolarHBondContact O-N 2.89Å; D51-F71 WeakPolarHBondContact O-CA 3.05Å
52	N	94.9	Very high	95.9	Very high	28 Å²	28	59.8 Å²	59.8	15%	0.15	33%	0.328	C	S	.	.			trans	-130.1	104.4	-176.9	166.6	24.5	0	0	0	110.1	R54 F71 V111 S112	N52-R54 PolarHBondContact ND2-NH2 3.2Å; N52-R54 PolarHBondContact OD1-NE 3.16Å; N52-F71 HydrophobicContact CB-CD1 3.98Å; N52-F71 HydrophobicContact CB-CE1 3.92Å; N52-F71 VanDerWaalsContact OD1-CE1 3.32Å; N52-F71 WeakPolarHBondContact OD1-CE1 3.2Å; N52-V111 WeakPolarHBondContact O-CA 3.32Å; N52-S112 WeakPolarHBondContact CB-OG 3.43Å; N52-S112 PolarHBondContact ND2-OG 2.95Å; N52-S112 PolarHBondContact O-N 2.84Å
53	F	97.5	Very high	95.8	Very high	0 Å²	0	61.5 Å²	61.5	0%	0	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	134.5	-180	-55.8	-90.8	0	0	0	109.7	F45 S50 S69 I70 L85 V92 V111	F45-F53 HydrophobicContact CB-CE1 4.29Å; F45-F53 HydrophobicContact CD1-CD1 4.38Å; F45-F53 AromaticContact CD1-CE1 3.53Å; F45-F53 HydrophobicContact CD1-CE1 3.53Å; F45-F53 HydrophobicContact CD1-CZ 4.16Å; F45-F53 AromaticContact CD2-CE1 3.94Å; F45-F53 HydrophobicContact CD2-CE1 3.94Å; F45-F53 HydrophobicContact CD2-CZ 4.12Å; F45-F53 AromaticContact CE1-CE1 3.64Å; F45-F53 HydrophobicContact CE1-CE1 3.64Å; F45-F53 AromaticContact CE1-CZ 3.83Å; F45-F53 HydrophobicContact CE1-CZ 3.83Å; F45-F53 HydrophobicContact CE2-CE1 4.04Å; F45-F53 AromaticContact CE2-CZ 3.79Å; F45-F53 HydrophobicContact CE2-CZ 3.79Å; F45-F53 AromaticContact CG-CE1 3.67Å; F45-F53 HydrophobicContact CG-CE1 3.67Å; F45-F53 HydrophobicContact CG-CZ 4.28Å; F45-F53 AromaticContact CZ-CE1 3.89Å; F45-F53 HydrophobicContact CZ-CE1 3.89Å; F45-F53 AromaticContact CZ-CZ 3.63Å; F45-F53 HydrophobicContact CZ-CZ 3.63Å; S50-F53 WeakPolarHBondContact O-CE2 3.38Å; S50-F53 WeakPolarHBondContact O-CZ 3.42Å; F53-S69 WeakPolarHBondContact O-CA 3.24Å; F53-I70 HydrophobicContact CB-CG2 3.84Å; F53-I70 PolarHBondContact N-O 2.8Å; F53-I70 VanDerWaalsContact N-O 3.08Å; F53-I70 PolarHBondContact O-N 2.89Å; F53-L85 HydrophobicContact CD2-CD1 3.91Å; F53-L85 HydrophobicContact CD2-CD2 3.58Å; F53-L85 HydrophobicContact CD2-CG 4.39Å; F53-L85 HydrophobicContact CE1-CD1 4.3Å; F53-L85 HydrophobicContact CE2-CD1 3.69Å; F53-L85 HydrophobicContact CE2-CD2 3.56Å; F53-L85 HydrophobicContact CE2-CG 4.33Å; F53-L85 HydrophobicContact CG-CD1 4.33Å; F53-L85 HydrophobicContact CZ-CD1 3.89Å; F53-V92 HydrophobicContact CB-CG1 4.33Å; F53-V92 HydrophobicContact CB-CG2 4.15Å; F53-V92 HydrophobicContact CD1-CG2 3.36Å; F53-V92 HydrophobicContact CE1-CG2 3.84Å; F53-V92 HydrophobicContact CG-CG2 3.81Å; F53-V111 HydrophobicContact CD1-CB 3.99Å; F53-V111 HydrophobicContact CD1-CG2 3.47Å; F53-V111 VanDerWaalsContact CD1-CG2 3.47Å; F53-V111 HydrophobicContact CE1-CB 4.17Å; F53-V111 HydrophobicContact CE1-CG2 3.33Å; F53-V111 HydrophobicContact CG-CG2 4.27Å; F53-V111 HydrophobicContact CZ-CG2 4Å
54	R	97.7	Very high	95.8	Very high	82 Å²	82	65.7 Å²	65.7	31%	0.309	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	135.8	-178.3	-59.8	-175.6	-172.9	-178.3	-1.6	110.6	N52 Y56 V68 C109 A110	N52-R54 PolarHBondContact ND2-NH2 3.2Å; N52-R54 PolarHBondContact OD1-NE 3.16Å; R54-Y56 HydrophobicContact CB-CD2 4.23Å; R54-Y56 HydrophobicContact CB-CE2 3.56Å; R54-Y56 WeakPolarHBondContact CD-OH 3.37Å; R54-V68 WeakPolarHBondContact CA-O 3.32Å; R54-C109 CarbonylContact O-C 3.56Å; R54-C109 WeakPolarHBondContact O-CA 3.09Å; R54-A110 PolarHBondContact N-O 3.36Å; R54-A110 PolarHBondContact O-N 2.77Å
55	W	98.5	Very high	95.8	Very high	1 Å²	1	67.3 Å²	67.3	0%	0.004	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	139.7	162.2	-74	99	0	0	0	109.3	L41 C43 L67 V68 V92 F93 L94 L108 C109	L41-W55 HydrophobicContact CB-CH2 3.8Å; L41-W55 HydrophobicContact CB-CZ3 4.19Å; L41-W55 HydrophobicContact CD1-CZ3 4.38Å; C43-W55 HydrophobicContact CB-CH2 3.84Å; C43-W55 HydrophobicContact CB-CZ2 3.62Å; W55-L67 HydrophobicContact CB-CB 4.42Å; W55-L67 HydrophobicContact CB-CD2 4.48Å; W55-L67 VanDerWaalsContact O-CB 3.32Å; W55-L67 WeakPolarHBondContact O-CB 3.29Å; W55-L67 PolarHBondContact O-N 3.25Å; W55-V68 HydrophobicContact CB-CG1 3.84Å; W55-V68 HydrophobicContact CG-CG1 4.35Å; W55-V68 PolarHBondContact N-O 3.04Å; W55-V68 PolarHBondContact O-N 2.92Å; W55-V92 WeakPolarHBondContact CZ2-O 3.46Å; W55-F93 PolarHBondContact NE1-O 3.35Å; W55-L94 HydrophobicContact CB-CD1 4.28Å; W55-L94 HydrophobicContact CB-CD2 4.18Å; W55-L94 HydrophobicContact CD2-CB 3.65Å; W55-L94 HydrophobicContact CD2-CD2 3.91Å; W55-L94 HydrophobicContact CD2-CG 4.27Å; W55-L94 VanDerWaalsContact CE2-CB 3.47Å; W55-L94 HydrophobicContact CE3-CB 4.16Å; W55-L94 HydrophobicContact CE3-CD2 3.89Å; W55-L94 HydrophobicContact CG-CB 3.96Å; W55-L94 HydrophobicContact CG-CD1 4.1Å; W55-L94 HydrophobicContact CG-CD2 4.04Å; W55-L94 HydrophobicContact CG-CG 4.27Å; W55-L94 HydrophobicContact CH2-CB 4.29Å; W55-L94 HydrophobicContact CZ2-CB 3.81Å; W55-L94 HydrophobicContact CZ3-CB 4.46Å; W55-L108 CarbonylContact C-O 3.54Å; W55-L108 WeakPolarHBondContact CA-O 3.4Å; W55-C109 HydrophobicContact CD2-CB 4.17Å; W55-C109 HydrophobicContact CE3-CB 3.93Å; W55-C109 HydrophobicContact CH2-CB 3.86Å; W55-C109 HydrophobicContact CZ2-CB 4.08Å; W55-C109 HydrophobicContact CZ3-CB 3.77Å
56	Y	98.3	Very high	95.9	Very high	46 Å²	46	70.8 Å²	70.8	18%	0.18	40%	0.399	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	150.9	176.9	-64.3	-98.2	0	0	0	109.6	R54 L64 E65 V66 Y107 L108 A110	R54-Y56 HydrophobicContact CB-CD2 4.23Å; R54-Y56 HydrophobicContact CB-CE2 3.56Å; R54-Y56 WeakPolarHBondContact CD-OH 3.37Å; Y56-L64 HydrophobicContact CD1-CD1 4.48Å; Y56-L64 HydrophobicContact CD1-CD2 3.7Å; Y56-L64 HydrophobicContact CD1-CG 3.71Å; Y56-L64 HydrophobicContact CE1-CD2 4.26Å; Y56-L64 HydrophobicContact CG-CD1 4.31Å; Y56-L64 HydrophobicContact CG-CD2 3.91Å; Y56-L64 HydrophobicContact CG-CG 3.99Å; Y56-E65 CarbonylContact C-O 3.58Å; Y56-E65 WeakPolarHBondContact CA-O 3.42Å; Y56-E65 WeakPolarHBondContact CB-O 3.46Å; Y56-E65 WeakPolarHBondContact CD1-O 3.5Å; Y56-V66 HydrophobicContact CD1-CG2 3.97Å; Y56-V66 HydrophobicContact CE1-CB 4.44Å; Y56-V66 HydrophobicContact CE1-CG2 3.47Å; Y56-V66 VanDerWaalsContact CE1-CG2 3.47Å; Y56-Y107 WeakPolarHBondContact O-CA 3.44Å; Y56-L108 PolarHBondContact N-O 3.07Å; Y56-L108 PolarHBondContact O-N 3.46Å; Y56-A110 HydrophobicContact CD2-CB 4.39Å; Y56-A110 HydrophobicContact CE2-CB 3.75Å
57	R	98	Very high	96	Very high	44 Å²	44	67.6 Å²	67.6	17%	0.166	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	143.7	172.1	-171.7	173.2	62.6	-178.3	-2.4	109.3	H59 E65 L67 D103 A105 L106 Y107	R57-H59 PolarHBondContact NE-NE2 3.09Å; R57-E65 HydrophobicContact CB-CG 4.06Å; R57-E65 IonicContact CZ-OE1 3.81Å; R57-E65 PolarHBondContact N-O 2.86Å; R57-E65 IonicContact NE-OE1 3.14Å; R57-E65 PolarHBondContact NE-OE1 2.75Å; R57-E65 IonicContact NH2-OE1 2.7Å; R57-E65 PolarHBondContact NH2-OE1 3.26Å; R57-E65 WeakPolarHBondContact O-CG 3.18Å; R57-E65 PolarHBondContact O-N 3.16Å; R57-L67 HydrophobicContact CB-CD1 4.35Å; R57-D103 IonicContact NH1-OD1 2.72Å; R57-A105 HydrophobicContact CG-CB 3.55Å; R57-L106 CarbonylContact C-O 3.52Å; R57-L106 WeakPolarHBondContact CA-O 3.33Å; R57-Y107 HydrophobicContact CB-CD1 4.41Å; R57-Y107 HydrophobicContact CB-CE1 4.21Å; R57-Y107 HydrophobicContact CG-CD1 4.42Å; R57-Y107 HydrophobicContact CG-CE1 3.93Å
58	Q	98.4	Very high	96.3	Very high	68 Å²	68	65.1 Å²	65.1	32%	0.318	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	109.7	170.9	-178.8	175	39.2	0	0	109.7	K62 L64 L106	Q58-K62 WeakPolarHBondContact CG-O 3.39Å; Q58-K62 PolarHBondContact NE2-O 3.35Å; Q58-L64 HydrophobicContact CB-CD1 3.78Å; Q58-L106 HydrophobicContact CB-CB 4.29Å; Q58-L106 PolarHBondContact N-O 2.93Å; Q58-L106 PolarHBondContact O-N 2.95Å
59	H	97.7	Very high	96.7	Very high	53 Å²	53	58.4 Å²	58.4	25%	0.245	34%	0.342	C	S	.	.			trans	-72.7	151.7	167	-66.2	-56	0	0	0	110.8	R57 G61 K62 S102 S104	R57-H59 PolarHBondContact NE-NE2 3.09Å; H59-G61 PolarHBondContact O-N 2.81Å; H59-K62 HydrophobicContact CB-CB 4.18Å; H59-K62 HydrophobicContact CB-CG 3.96Å; H59-K62 WeakPolarHBondContact O-CB 3.27Å; H59-K62 PolarHBondContact O-N 2.82Å; H59-S102 PolarHBondContact CE1-O 3.13Å; H59-S104 PolarHBondContact ND1-O 3.28Å
60	S	95.7	Very high	97	Very high	120 Å²	120	54.5 Å²	54.5	84%	0.839	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.9	124.3	178.1	-61.1	0	0	0	0	111.8	K62	S60-K62 PolarHBondContact O-N 3.06Å
61	G	96.7	Very high	97.2	Very high	88 Å²	88	60 Å²	60	91%	0.907	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	72.2	8.8	-179.6	0	0	0	0	0	115.3	H59	H59-G61 PolarHBondContact O-N 2.81Å
62	K	97.2	Very high	97.4	Very high	146 Å²	146	59.3 Å²	59.3	64%	0.635	34%	0.341	S	S	*	.	S	Bend	trans	-108.5	165.5	175.4	-57.6	-60.9	-175.5	179.5	0	111.4	Q58 H59 S60	Q58-K62 WeakPolarHBondContact CG-O 3.39Å; Q58-K62 PolarHBondContact NE2-O 3.35Å; H59-K62 HydrophobicContact CB-CB 4.18Å; H59-K62 HydrophobicContact CB-CG 3.96Å; H59-K62 WeakPolarHBondContact O-CB 3.27Å; H59-K62 PolarHBondContact O-N 2.82Å; S60-K62 PolarHBondContact O-N 3.06Å
63	G	97.2	Very high	97.5	Very high	59 Å²	59	62.3 Å²	62.3	61%	0.608	36%	0.357	S	S	*	.			trans	-69.2	163.3	172.2	0	0	0	0	0	112
64	L	97.7	Very high	97.5	Very high	87 Å²	87	63.7 Å²	63.7	46%	0.455	37%	0.371	S	S	.	.			trans	-75.5	128.2	171.8	-168.1	70.4	0	0	0	109.2	Y56 Q58 L108	Y56-L64 HydrophobicContact CD1-CD1 4.48Å; Y56-L64 HydrophobicContact CD1-CD2 3.7Å; Y56-L64 HydrophobicContact CD1-CG 3.71Å; Y56-L64 HydrophobicContact CE1-CD2 4.26Å; Y56-L64 HydrophobicContact CG-CD1 4.31Å; Y56-L64 HydrophobicContact CG-CD2 3.91Å; Y56-L64 HydrophobicContact CG-CG 3.99Å; Q58-L64 HydrophobicContact CB-CD1 3.78Å; L64-L108 HydrophobicContact CD1-CD1 4.01Å
65	E	97.7	Very high	97.5	Very high	83 Å²	83	65.9 Å²	65.9	39%	0.388	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	145.9	177.3	67.2	-171.4	177.6	0	0	111	Y56 R57 L67	Y56-E65 CarbonylContact C-O 3.58Å; Y56-E65 WeakPolarHBondContact CA-O 3.42Å; Y56-E65 WeakPolarHBondContact CB-O 3.46Å; Y56-E65 WeakPolarHBondContact CD1-O 3.5Å; R57-E65 HydrophobicContact CB-CG 4.06Å; R57-E65 IonicContact CZ-OE1 3.81Å; R57-E65 PolarHBondContact N-O 2.86Å; R57-E65 IonicContact NE-OE1 3.14Å; R57-E65 PolarHBondContact NE-OE1 2.75Å; R57-E65 IonicContact NH2-OE1 2.7Å; R57-E65 PolarHBondContact NH2-OE1 3.26Å; R57-E65 WeakPolarHBondContact O-CG 3.18Å; R57-E65 PolarHBondContact O-N 3.16Å; E65-L67 PolarHBondContact O-N 3.49Å
66	V	97.4	Very high	97.5	Very high	78 Å²	78	70.5 Å²	70.5	47%	0.473	41%	0.405	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	122.8	172.8	178.6	0	0	0	0	107.7	Y56	Y56-V66 HydrophobicContact CD1-CG2 3.97Å; Y56-V66 HydrophobicContact CE1-CB 4.44Å; Y56-V66 HydrophobicContact CE1-CG2 3.47Å; Y56-V66 VanDerWaalsContact CE1-CG2 3.47Å
67	L	97.6	Very high	97.5	Very high	17 Å²	17	73.6 Å²	73.6	9%	0.089	42%	0.421	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	-53	-179.8	-173	68.1	0	0	0	111.2	W55 R57 E65 E78 F81 L94 Y107	W55-L67 HydrophobicContact CB-CB 4.42Å; W55-L67 HydrophobicContact CB-CD2 4.48Å; W55-L67 VanDerWaalsContact O-CB 3.32Å; W55-L67 WeakPolarHBondContact O-CB 3.29Å; W55-L67 PolarHBondContact O-N 3.25Å; R57-L67 HydrophobicContact CB-CD1 4.35Å; E65-L67 PolarHBondContact O-N 3.49Å; L67-E78 WeakPolarHBondContact O-CG 2.96Å; L67-F81 HydrophobicContact CD1-CD1 4.26Å; L67-F81 HydrophobicContact CD1-CD2 3.6Å; L67-F81 HydrophobicContact CD1-CE1 4.26Å; L67-F81 HydrophobicContact CD1-CE2 3.63Å; L67-F81 HydrophobicContact CD1-CG 3.95Å; L67-F81 HydrophobicContact CD1-CZ 3.98Å; L67-F81 HydrophobicContact CD2-CB 4.39Å; L67-F81 HydrophobicContact CD2-CD1 3.65Å; L67-F81 HydrophobicContact CD2-CD2 4.39Å; L67-F81 HydrophobicContact CD2-CE1 4.01Å; L67-F81 HydrophobicContact CD2-CG 3.87Å; L67-F81 HydrophobicContact CG-CB 4.42Å; L67-F81 HydrophobicContact CG-CD1 4.25Å; L67-F81 HydrophobicContact CG-CD2 4.12Å; L67-F81 HydrophobicContact CG-CG 3.98Å; L67-L94 HydrophobicContact CD2-CD1 3.99Å; L67-L94 HydrophobicContact CD2-CD2 3.74Å; L67-Y107 HydrophobicContact CD2-CD1 3.99Å; L67-Y107 HydrophobicContact CD2-CE1 3.71Å
68	V	98.2	Very high	97.4	Very high	5 Å²	5	76.5 Å²	76.5	3%	0.03	44%	0.437	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.7	141.7	179.7	55.8	0	0	0	0	109.4	R54 W55 K76 E78 A83 L94	R54-V68 WeakPolarHBondContact CA-O 3.32Å; W55-V68 HydrophobicContact CB-CG1 3.84Å; W55-V68 HydrophobicContact CG-CG1 4.35Å; W55-V68 PolarHBondContact N-O 3.04Å; W55-V68 PolarHBondContact O-N 2.92Å; V68-K76 HydrophobicContact CG2-CB 4.31Å; V68-K76 HydrophobicContact CG2-CG 3.78Å; V68-E78 HydrophobicContact CB-CB 4.2Å; V68-E78 HydrophobicContact CG2-CB 4.27Å; V68-A83 HydrophobicContact CB-CB 4.42Å; V68-A83 HydrophobicContact CG1-CB 3.71Å; V68-A83 HydrophobicContact CG2-CB 3.78Å; V68-L94 HydrophobicContact CG1-CD1 3.9Å
69	S	97.9	Very high	97.3	Very high	34 Å²	34	76 Å²	76	24%	0.238	45%	0.451	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	133.9	174.8	-57.6	0	0	0	0	109.7	F53	F53-S69 WeakPolarHBondContact O-CA 3.24Å
70	I	98.3	Very high	97.2	Very high	6 Å²	6	75.4 Å²	75.4	3%	0.031	45%	0.452	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	136.2	179.5	-170.6	166.6	0	0	0	110.2	F53 S72 G74 K76 A83 L85 V92	F53-I70 HydrophobicContact CB-CG2 3.84Å; F53-I70 PolarHBondContact N-O 2.8Å; F53-I70 VanDerWaalsContact N-O 3.08Å; F53-I70 PolarHBondContact O-N 2.89Å; I70-S72 WeakPolarHBondContact CG1-O 2.95Å; I70-G74 VanDerWaalsContact CD1-O 3.27Å; I70-G74 WeakPolarHBondContact CD1-O 3.47Å; I70-K76 HydrophobicContact CB-CB 4.28Å; I70-K76 HydrophobicContact CD1-CB 3.94Å; I70-K76 HydrophobicContact CG1-CB 4.15Å; I70-A83 HydrophobicContact CB-CB 4.31Å; I70-A83 HydrophobicContact CD1-CB 4.42Å; I70-A83 HydrophobicContact CG2-CB 4.12Å; I70-L85 HydrophobicContact CD1-CB 3.73Å; I70-L85 HydrophobicContact CG1-CB 4.1Å; I70-L85 HydrophobicContact CG2-CB 4.18Å; I70-V92 HydrophobicContact CG2-CG1 4.2Å
71	F	96.6	Very high	97.3	Very high	117 Å²	117	70.4 Å²	70.4	51%	0.513	42%	0.415	S	S	.	.			trans	-124.2	-19	-171.6	-51.7	-80	0	0	0	113.3	D51 N52	D51-F71 WeakPolarHBondContact O-CA 3.05Å; N52-F71 HydrophobicContact CB-CD1 3.98Å; N52-F71 HydrophobicContact CB-CE1 3.92Å; N52-F71 VanDerWaalsContact OD1-CE1 3.32Å; N52-F71 WeakPolarHBondContact OD1-CE1 3.2Å
72	S	95.9	Very high	97.4	Very high	84 Å²	84	66.6 Å²	66.6	59%	0.587	37%	0.374	S	S	*	.	S	Bend	trans	-124.1	152.4	-178.9	57.8	0	0	0	0	110.5	I70	I70-S72 WeakPolarHBondContact CG1-O 2.95Å
73	D	96.9	Very high	97.5	Very high	90 Å²	90	59.6 Å²	59.6	48%	0.481	34%	0.344	S	S	.	.	S	Bend	trans	-53.7	148.9	172.2	-81.7	-36	0	0	0	111.5	L85 R87	D73-L85 WeakPolarHBondContact CA-O 3.36Å; D73-R87 VanDerWaalsContact OD1-CB 3.32Å; D73-R87 WeakPolarHBondContact OD1-CB 3.41Å; D73-R87 WeakPolarHBondContact OD1-CG 3.37Å; D73-R87 PolarHBondContact OD1-N 3.47Å
74	G	98	Very high	97.6	Very high	29 Å²	29	59.3 Å²	59.3	30%	0.299	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	104.1	-152.3	-176.2	0	0	0	0	0	112.1	I70 H84 L85	I70-G74 VanDerWaalsContact CD1-O 3.27Å; I70-G74 WeakPolarHBondContact CD1-O 3.47Å; G74-H84 CarbonylContact O-C 3.53Å; G74-H84 WeakPolarHBondContact O-CA 3.48Å; G74-H84 PolarHBondContact O-CD2 2.86Å; G74-L85 PolarHBondContact N-O 3.49Å; G74-L85 PolarHBondContact O-N 2.92Å
75	E	98.2	Very high	97.6	Very high	129 Å²	129	55.2 Å²	55.2	60%	0.603	31%	0.305	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-116	146.1	-168.5	-61.6	-173.7	164.8	0	0	112.6	T82 A83 H84	E75-T82 HydrophobicContact CB-CG2 4.11Å; E75-T82 HydrophobicContact CG-CG2 4.39Å; E75-A83 CarbonylContact C-O 3.6Å; E75-A83 VanDerWaalsContact CA-O 3.28Å; E75-A83 WeakPolarHBondContact CA-O 3.38Å; E75-H84 HydrophobicContact CG-CB 4.04Å
76	K	98.3	Very high	97.6	Very high	97 Å²	97	53.9 Å²	53.9	42%	0.422	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	118.6	171.6	176.7	60.8	-179.9	170.5	0	109	V68 I70 T82 A83	V68-K76 HydrophobicContact CG2-CB 4.31Å; V68-K76 HydrophobicContact CG2-CG 3.78Å; I70-K76 HydrophobicContact CB-CB 4.28Å; I70-K76 HydrophobicContact CD1-CB 3.94Å; I70-K76 HydrophobicContact CG1-CB 4.15Å; K76-T82 WeakPolarHBondContact O-CA 3.25Å; K76-A83 PolarHBondContact N-O 2.83Å; K76-A83 PolarHBondContact O-N 2.81Å
77	E	97.8	Very high	97.5	Very high	112 Å²	112	53.2 Å²	53.2	52%	0.523	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	141.2	175.2	-58.3	-169.4	153.7	0	0	111.3	F81 T82	E77-F81 WeakPolarHBondContact CA-O 3.4Å; E77-T82 HydrophobicContact CG-CG2 4.19Å
78	E	97.1	Very high	97.4	Very high	104 Å²	104	56.6 Å²	56.6	49%	0.486	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	99.5	170.8	-170.4	65	-130.3	0	0	108.3	L67 V68 S80 F81	L67-E78 WeakPolarHBondContact O-CG 2.96Å; V68-E78 HydrophobicContact CB-CB 4.2Å; V68-E78 HydrophobicContact CG2-CB 4.27Å; E78-S80 PolarHBondContact O-N 3.46Å; E78-F81 PolarHBondContact N-O 2.03Å; E78-F81 WeakPolarHBondContact O-CB 3.42Å; E78-F81 WeakPolarHBondContact O-CD2 3.28Å; E78-F81 PolarHBondContact O-N 3.01Å
79	G	95.7	Very high	97.3	Very high	59 Å²	59	58.7 Å²	58.7	61%	0.608	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.1	-129.1	-173.5	0	0	0	0	0	112.4	F81 R97	G79-F81 PolarHBondContact O-N 2.96Å; G79-R97 PolarHBondContact O-NH2 3.29Å
80	S	96.1	Very high	97.3	Very high	40 Å²	40	58.7 Å²	58.7	28%	0.28	33%	0.332	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.5	-2.8	175.7	53.4	0	0	0	0	113.8	E78 R97	E78-S80 PolarHBondContact O-N 3.46Å; S80-R97 WeakPolarHBondContact O-CB 3.28Å; S80-R97 PolarHBondContact O-N 2.85Å
81	F	97.9	Very high	97.3	Very high	14 Å²	14	60.7 Å²	60.7	6%	0.061	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	136.4	-175.2	-54.8	-79.3	0	0	0	111.5	L67 E77 E78 G79 L94 H95 I96 Y107	L67-F81 HydrophobicContact CD1-CD1 4.26Å; L67-F81 HydrophobicContact CD1-CD2 3.6Å; L67-F81 HydrophobicContact CD1-CE1 4.26Å; L67-F81 HydrophobicContact CD1-CE2 3.63Å; L67-F81 HydrophobicContact CD1-CG 3.95Å; L67-F81 HydrophobicContact CD1-CZ 3.98Å; L67-F81 HydrophobicContact CD2-CB 4.39Å; L67-F81 HydrophobicContact CD2-CD1 3.65Å; L67-F81 HydrophobicContact CD2-CD2 4.39Å; L67-F81 HydrophobicContact CD2-CE1 4.01Å; L67-F81 HydrophobicContact CD2-CG 3.87Å; L67-F81 HydrophobicContact CG-CB 4.42Å; L67-F81 HydrophobicContact CG-CD1 4.25Å; L67-F81 HydrophobicContact CG-CD2 4.12Å; L67-F81 HydrophobicContact CG-CG 3.98Å; E77-F81 WeakPolarHBondContact CA-O 3.4Å; E78-F81 PolarHBondContact N-O 2.03Å; E78-F81 WeakPolarHBondContact O-CB 3.42Å; E78-F81 WeakPolarHBondContact O-CD2 3.28Å; E78-F81 PolarHBondContact O-N 3.01Å; G79-F81 PolarHBondContact O-N 2.96Å; F81-L94 HydrophobicContact CB-CD1 4.12Å; F81-L94 HydrophobicContact CD1-CD1 4.4Å; F81-H95 CarbonylContact C-O 3.53Å; F81-H95 WeakPolarHBondContact CA-O 3.36Å; F81-I96 HydrophobicContact CD1-CB 4.33Å; F81-I96 HydrophobicContact CD1-CD1 4.47Å; F81-I96 HydrophobicContact CD1-CG1 3.88Å; F81-I96 HydrophobicContact CD1-CG2 4.02Å; F81-I96 HydrophobicContact CE1-CB 4.31Å; F81-I96 HydrophobicContact CE1-CD1 4.1Å; F81-I96 HydrophobicContact CE1-CG1 3.93Å; F81-I96 HydrophobicContact CE1-CG2 3.63Å; F81-I96 HydrophobicContact CZ-CG2 4.42Å; F81-Y107 HydrophobicContact CE1-CE1 4.09Å
82	T	98.4	Very high	97.3	Very high	8 Å²	8	55.1 Å²	55.1	5%	0.049	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	112.5	173.6	-54.6	0	0	0	0	109.4	E75 K76 E77 H95	E75-T82 HydrophobicContact CB-CG2 4.11Å; E75-T82 HydrophobicContact CG-CG2 4.39Å; K76-T82 WeakPolarHBondContact O-CA 3.25Å; E77-T82 HydrophobicContact CG-CG2 4.19Å; T82-H95 PolarHBondContact N-O 2.81Å; T82-H95 PolarHBondContact O-N 3.05Å; T82-H95 PolarHBondContact O-ND1 2.8Å
83	A	98.6	Very high	97.5	Very high	0 Å²	0	53.8 Å²	53.8	0%	0	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	134.8	167.1	0	0	0	0	0	109.7	V68 I70 E75 K76 F93	V68-A83 HydrophobicContact CB-CB 4.42Å; V68-A83 HydrophobicContact CG1-CB 3.71Å; V68-A83 HydrophobicContact CG2-CB 3.78Å; I70-A83 HydrophobicContact CB-CB 4.31Å; I70-A83 HydrophobicContact CD1-CB 4.42Å; I70-A83 HydrophobicContact CG2-CB 4.12Å; E75-A83 CarbonylContact C-O 3.6Å; E75-A83 VanDerWaalsContact CA-O 3.28Å; E75-A83 WeakPolarHBondContact CA-O 3.38Å; K76-A83 PolarHBondContact N-O 2.83Å; K76-A83 PolarHBondContact O-N 2.81Å; A83-F93 CarbonylContact C-O 3.57Å; A83-F93 VanDerWaalsContact CA-O 3.28Å; A83-F93 WeakPolarHBondContact CA-O 3.32Å
84	H	98.6	Very high	97.6	Very high	52 Å²	52	49.5 Å²	49.5	24%	0.241	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	113.8	174.9	172.9	-156.8	0	0	0	109.5	G74 E75 V92 F93	G74-H84 CarbonylContact O-C 3.53Å; G74-H84 WeakPolarHBondContact O-CA 3.48Å; G74-H84 PolarHBondContact O-CD2 2.86Å; E75-H84 HydrophobicContact CG-CB 4.04Å; H84-V92 CarbonylContact O-C 3.59Å; H84-V92 WeakPolarHBondContact O-CA 3.34Å; H84-F93 HydrophobicContact CB-CB 4.3Å; H84-F93 PolarHBondContact N-O 3.47Å; H84-F93 PolarHBondContact O-N 2.92Å
85	L	98.5	Very high	97.6	Very high	1 Å²	1	50 Å²	50	1%	0.005	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	126.9	175.7	173.3	60.2	0	0	0	109.7	F45 F53 I70 D73 G74 R87 V92	F45-L85 HydrophobicContact CE1-CD1 3.85Å; F45-L85 HydrophobicContact CZ-CD1 4.11Å; F53-L85 HydrophobicContact CD2-CD1 3.91Å; F53-L85 HydrophobicContact CD2-CD2 3.58Å; F53-L85 HydrophobicContact CD2-CG 4.39Å; F53-L85 HydrophobicContact CE1-CD1 4.3Å; F53-L85 HydrophobicContact CE2-CD1 3.69Å; F53-L85 HydrophobicContact CE2-CD2 3.56Å; F53-L85 HydrophobicContact CE2-CG 4.33Å; F53-L85 HydrophobicContact CG-CD1 4.33Å; F53-L85 HydrophobicContact CZ-CD1 3.89Å; I70-L85 HydrophobicContact CD1-CB 3.73Å; I70-L85 HydrophobicContact CG1-CB 4.1Å; I70-L85 HydrophobicContact CG2-CB 4.18Å; D73-L85 WeakPolarHBondContact CA-O 3.36Å; G74-L85 PolarHBondContact N-O 3.49Å; G74-L85 PolarHBondContact O-N 2.92Å; L85-R87 HydrophobicContact CD1-CG 4.03Å; L85-R87 HydrophobicContact CD2-CG 4.2Å; L85-R87 HydrophobicContact CG-CG 4.08Å; L85-V92 HydrophobicContact CD1-CG2 3.71Å
86	N	97.4	Very high	97.6	Very high	56 Å²	56	44.3 Å²	44.3	30%	0.299	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	99.8	169	-175.5	-28.5	0	0	0	109.7	A88 S89 L90 H91	N86-A88 VanDerWaalsContact C-N 3.31Å; N86-A88 PolarHBondContact O-N 2.88Å; N86-A88 WeakPolarHBondContact OD1-CB 3.49Å; N86-A88 PolarHBondContact OD1-N 2.87Å; N86-S89 WeakPolarHBondContact CB-OG 3.38Å; N86-S89 PolarHBondContact ND2-OG 3.38Å; N86-S89 PolarHBondContact O-N 2.94Å; N86-S89 PolarHBondContact O-OG 3.02Å; N86-S89 PolarHBondContact OD1-N 2.87Å; N86-S89 VanDerWaalsContact OD1-N 3.07Å; N86-S89 PolarHBondContact OD1-OG 3.36Å; N86-L90 PolarHBondContact O-N 2.77Å; N86-H91 PolarHBondContact N-O 3.08Å; N86-H91 PolarHBondContact O-N 3.19Å
87	R	95.5	Very high	97.6	Very high	63 Å²	63	44.7 Å²	44.7	24%	0.238	25%	0.245	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.3	-25.6	-179.9	-67.9	171.5	93.6	93.8	12	113.6	F45 R48 S50 D73 L85 L90	F45-R87 HydrophobicContact CZ-CG 4.35Å; R48-R87 PolarHBondContact O-NH2 2.91Å; S50-R87 VanDerWaalsContact O-CZ 3.24Å; S50-R87 PolarHBondContact O-NH1 3.13Å; S50-R87 VanDerWaalsContact O-NH1 3.14Å; S50-R87 PolarHBondContact O-NH2 3.29Å; D73-R87 VanDerWaalsContact OD1-CB 3.32Å; D73-R87 WeakPolarHBondContact OD1-CB 3.41Å; D73-R87 WeakPolarHBondContact OD1-CG 3.37Å; D73-R87 PolarHBondContact OD1-N 3.47Å; L85-R87 HydrophobicContact CD1-CG 4.03Å; L85-R87 HydrophobicContact CD2-CG 4.2Å; L85-R87 HydrophobicContact CG-CG 4.08Å; R87-L90 WeakPolarHBondContact O-CD2 3.32Å; R87-L90 PolarHBondContact O-N 2.99Å
88	A	95.9	Very high	97.5	Very high	88 Å²	88	46 Å²	46	73%	0.727	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.7	-40.7	177.4	0	0	0	0	0	111.1	N86	N86-A88 VanDerWaalsContact C-N 3.31Å; N86-A88 PolarHBondContact O-N 2.88Å; N86-A88 WeakPolarHBondContact OD1-CB 3.49Å; N86-A88 PolarHBondContact OD1-N 2.87Å
89	S	96.6	Very high	97.5	Very high	49 Å²	49	41.4 Å²	41.4	34%	0.343	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94	-4.1	177	63.5	0	0	0	0	114.5	N86 H91	N86-S89 WeakPolarHBondContact CB-OG 3.38Å; N86-S89 PolarHBondContact ND2-OG 3.38Å; N86-S89 PolarHBondContact O-N 2.94Å; N86-S89 PolarHBondContact O-OG 3.02Å; N86-S89 PolarHBondContact OD1-N 2.87Å; N86-S89 VanDerWaalsContact OD1-N 3.07Å; N86-S89 PolarHBondContact OD1-OG 3.36Å; S89-H91 VanDerWaalsContact C-N 3.31Å; S89-H91 PolarHBondContact O-CD2 2.91Å; S89-H91 PolarHBondContact O-N 2.84Å; S89-H91 PolarHBondContact OG-CD2 3.06Å
90	L	96.8	Very high	97.5	Very high	35 Å²	35	43.9 Å²	43.9	18%	0.183	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	61	36.3	-177.7	-52.3	174.5	0	0	0	113.8	T44 F45 R48 N86 R87	T44-L90 CarbonylContact C-O 3.53Å; T44-L90 VanDerWaalsContact CA-O 3.29Å; T44-L90 WeakPolarHBondContact CA-O 3.43Å; F45-L90 VanDerWaalsContact CD1-C 3.43Å; F45-L90 HydrophobicContact CD1-CB 4.36Å; F45-L90 WeakPolarHBondContact CD1-O 3.4Å; F45-L90 HydrophobicContact CD2-CB 4.42Å; F45-L90 HydrophobicContact CD2-CD2 4.06Å; F45-L90 VanDerWaalsContact CE1-CA 3.47Å; F45-L90 HydrophobicContact CE1-CB 4.26Å; F45-L90 WeakPolarHBondContact CE1-O 3.37Å; F45-L90 HydrophobicContact CE2-CB 4.3Å; F45-L90 HydrophobicContact CE2-CD2 3.5Å; F45-L90 VanDerWaalsContact CE2-CD2 3.5Å; F45-L90 HydrophobicContact CG-CB 4.46Å; F45-L90 HydrophobicContact CZ-CB 4.23Å; F45-L90 HydrophobicContact CZ-CD2 3.88Å; F45-L90 PolarHBondContact N-O 3.45Å; F45-L90 WeakPolarHBondContact O-CB 3.42Å; R48-L90 HydrophobicContact CG-CD2 3.49Å; R48-L90 VanDerWaalsContact CG-CD2 3.49Å; N86-L90 PolarHBondContact O-N 2.77Å; R87-L90 WeakPolarHBondContact O-CD2 3.32Å; R87-L90 PolarHBondContact O-N 2.99Å
91	H	98.1	Very high	97.5	Very high	47 Å²	47	46.2 Å²	46.2	22%	0.218	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	142.7	179.5	-67.6	-54.1	0	0	0	112	N42 C43 T44 N86 S89 F93	N42-H91 PolarHBondContact ND2-CE1 3.03Å; N42-H91 PolarHBondContact ND2-ND1 3.45Å; N42-H91 PolarHBondContact OD1-ND1 2.96Å; N42-H91 VanDerWaalsContact OD1-ND1 3.16Å; C43-H91 CarbonylContact O-C 3.42Å; C43-H91 WeakPolarHBondContact O-CA 3.39Å; T44-H91 PolarHBondContact OG1-CE1 3.37Å; T44-H91 PolarHBondContact OG1-ND1 2.86Å; N86-H91 PolarHBondContact N-O 3.08Å; N86-H91 PolarHBondContact O-N 3.19Å; S89-H91 VanDerWaalsContact C-N 3.31Å; S89-H91 PolarHBondContact O-CD2 2.91Å; S89-H91 PolarHBondContact O-N 2.84Å; S89-H91 PolarHBondContact OG-CD2 3.06Å; H91-F93 HydrophobicContact CB-CD2 4.06Å; H91-F93 HydrophobicContact CB-CE2 3.42Å; H91-F93 VanDerWaalsContact CB-CE2 3.42Å; H91-F93 HydrophobicContact CB-CZ 3.9Å
92	V	98.2	Very high	97.3	Very high	0 Å²	0	49.4 Å²	49.4	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	116	163.4	-166.5	0	0	0	0	107	C43 F45 F53 W55 I70 H84 L85	C43-V92 HydrophobicContact CB-CB 4.29Å; C43-V92 WeakPolarHBondContact CB-O 3.46Å; C43-V92 PolarHBondContact N-O 3.32Å; C43-V92 PolarHBondContact O-N 2.92Å; F45-V92 HydrophobicContact CD1-CG2 3.94Å; F45-V92 HydrophobicContact CE1-CG2 3.97Å; F53-V92 HydrophobicContact CB-CG1 4.33Å; F53-V92 HydrophobicContact CB-CG2 4.15Å; F53-V92 HydrophobicContact CD1-CG2 3.36Å; F53-V92 HydrophobicContact CE1-CG2 3.84Å; F53-V92 HydrophobicContact CG-CG2 3.81Å; W55-V92 WeakPolarHBondContact CZ2-O 3.46Å; I70-V92 HydrophobicContact CG2-CG1 4.2Å; H84-V92 CarbonylContact O-C 3.59Å; H84-V92 WeakPolarHBondContact O-CA 3.34Å; L85-V92 HydrophobicContact CD1-CG2 3.71Å
93	F	98.7	Very high	97.2	Very high	57 Å²	57	50 Å²	50	25%	0.25	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	150.3	174.6	-63.8	-88.3	0	0	0	110.4	L41 N42 W55 A83 H84 H91	L41-F93 CarbonylContact O-C 3.58Å; L41-F93 VanDerWaalsContact O-CA 3.25Å; L41-F93 WeakPolarHBondContact O-CA 3.14Å; N42-F93 HydrophobicContact CB-CD1 3.77Å; N42-F93 HydrophobicContact CB-CE1 3.58Å; N42-F93 HydrophobicContact CB-CZ 4.46Å; N42-F93 VanDerWaalsContact CG-CE1 3.47Å; W55-F93 PolarHBondContact NE1-O 3.35Å; A83-F93 CarbonylContact C-O 3.57Å; A83-F93 VanDerWaalsContact CA-O 3.28Å; A83-F93 WeakPolarHBondContact CA-O 3.32Å; H84-F93 HydrophobicContact CB-CB 4.3Å; H84-F93 PolarHBondContact N-O 3.47Å; H84-F93 PolarHBondContact O-N 2.92Å; H91-F93 HydrophobicContact CB-CD2 4.06Å; H91-F93 HydrophobicContact CB-CE2 3.42Å; H91-F93 VanDerWaalsContact CB-CE2 3.42Å; H91-F93 HydrophobicContact CB-CZ 3.9Å
94	L	98.8	Very high	97.1	Very high	0 Å²	0	54.3 Å²	54.3	0%	0	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	116.6	162.6	178.4	69.3	0	0	0	107.8	S40 L41 W55 L67 V68 F81 Y107	S40-L94 WeakPolarHBondContact CA-O 3.36Å; L41-L94 HydrophobicContact CB-CB 4.4Å; L41-L94 HydrophobicContact CD1-CD2 4.32Å; L41-L94 PolarHBondContact N-O 3.05Å; L41-L94 PolarHBondContact O-N 3.5Å; W55-L94 HydrophobicContact CB-CD1 4.28Å; W55-L94 HydrophobicContact CB-CD2 4.18Å; W55-L94 HydrophobicContact CD2-CB 3.65Å; W55-L94 HydrophobicContact CD2-CD2 3.91Å; W55-L94 HydrophobicContact CD2-CG 4.27Å; W55-L94 VanDerWaalsContact CE2-CB 3.47Å; W55-L94 HydrophobicContact CE3-CB 4.16Å; W55-L94 HydrophobicContact CE3-CD2 3.89Å; W55-L94 HydrophobicContact CG-CB 3.96Å; W55-L94 HydrophobicContact CG-CD1 4.1Å; W55-L94 HydrophobicContact CG-CD2 4.04Å; W55-L94 HydrophobicContact CG-CG 4.27Å; W55-L94 HydrophobicContact CH2-CB 4.29Å; W55-L94 HydrophobicContact CZ2-CB 3.81Å; W55-L94 HydrophobicContact CZ3-CB 4.46Å; L67-L94 HydrophobicContact CD2-CD1 3.99Å; L67-L94 HydrophobicContact CD2-CD2 3.74Å; V68-L94 HydrophobicContact CG1-CD1 3.9Å; F81-L94 HydrophobicContact CB-CD1 4.12Å; F81-L94 HydrophobicContact CD1-CD1 4.4Å; L94-Y107 HydrophobicContact CD2-CD1 3.56Å; L94-Y107 HydrophobicContact CD2-CE1 4.03Å; L94-Y107 HydrophobicContact CD2-CG 4.39Å
95	H	98.5	Very high	97.1	Very high	39 Å²	39	53.4 Å²	53.4	18%	0.181	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100	135.6	172	-53	91.1	0	0	0	109	A39 S40 F81 T82	A39-H95 WeakPolarHBondContact O-CA 3.32Å; S40-H95 PolarHBondContact OG-CD2 2.87Å; S40-H95 VanDerWaalsContact OG-CD2 3.25Å; F81-H95 CarbonylContact C-O 3.53Å; F81-H95 WeakPolarHBondContact CA-O 3.36Å; T82-H95 PolarHBondContact N-O 2.81Å; T82-H95 PolarHBondContact O-N 3.05Å; T82-H95 PolarHBondContact O-ND1 2.8Å
96	I	98.1	Very high	97.1	Very high	9 Å²	9	57.4 Å²	57.4	5%	0.046	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	113.4	175.2	-45	178.3	0	0	0	106.7	A39 F81 P99 Y107	A39-I96 HydrophobicContact CB-CB 4.15Å; A39-I96 HydrophobicContact CB-CD1 4.37Å; A39-I96 HydrophobicContact CB-CG1 4.4Å; A39-I96 PolarHBondContact N-O 2.64Å; A39-I96 VanDerWaalsContact N-O 3.13Å; A39-I96 PolarHBondContact O-N 3.47Å; F81-I96 HydrophobicContact CD1-CB 4.33Å; F81-I96 HydrophobicContact CD1-CD1 4.47Å; F81-I96 HydrophobicContact CD1-CG1 3.88Å; F81-I96 HydrophobicContact CD1-CG2 4.02Å; F81-I96 HydrophobicContact CE1-CB 4.31Å; F81-I96 HydrophobicContact CE1-CD1 4.1Å; F81-I96 HydrophobicContact CE1-CG1 3.93Å; F81-I96 HydrophobicContact CE1-CG2 3.63Å; F81-I96 HydrophobicContact CZ-CG2 4.42Å; I96-P99 HydrophobicContact CB-CG 4.14Å; I96-P99 HydrophobicContact CG2-CB 4.22Å; I96-P99 HydrophobicContact CG2-CG 4.02Å; I96-P99 WeakPolarHBondContact O-CG 3.35Å; I96-Y107 HydrophobicContact CD1-CE1 4.02Å; I96-Y107 HydrophobicContact CD1-CE2 4.13Å
97	R	97.5	Very high	97.1	Very high	105 Å²	105	55.8 Å²	55.8	40%	0.396	31%	0.309	S	S	.	.	S	Bend	trans	-82.5	136.4	179.1	-63.7	-175.1	-69.2	131.4	-7.8	109.7	G79 S80	G79-R97 PolarHBondContact O-NH2 3.29Å; S80-R97 WeakPolarHBondContact O-CB 3.28Å; S80-R97 PolarHBondContact O-N 2.85Å
98	E	96.5	Very high	97.2	Very high	139 Å²	139	55.8 Å²	55.8	65%	0.65	31%	0.314	S	S	*	.	S	Bend	trans	42.3	58	-179.6	-61.5	174.9	-99.1	0	0	113.3	Q100	E98-Q100 PolarHBondContact O-N 3.26Å
99	P	96.7	Very high	97.3	Very high	9 Å²	9	52 Å²	52	6%	0.058	28%	0.282	C	S	.	.			trans	-56.9	135.1	-175.2	-21.9	34.1	0	0	0	111.4	V33 E35 G36 A37 A39 I96	V33-P99 HydrophobicContact CG2-CB 4.32Å; V33-P99 HydrophobicContact CG2-CG 4.35Å; E35-P99 WeakPolarHBondContact CA-O 3.31Å; G36-P99 PolarHBondContact N-O 3.47Å; A37-P99 WeakPolarHBondContact O-CD 3.4Å; A37-P99 WeakPolarHBondContact O-CG 3.46Å; A39-P99 HydrophobicContact CB-CG 3.9Å; I96-P99 HydrophobicContact CB-CG 4.14Å; I96-P99 HydrophobicContact CG2-CB 4.22Å; I96-P99 HydrophobicContact CG2-CG 4.02Å; I96-P99 WeakPolarHBondContact O-CG 3.35Å
100	Q	96.6	Very high	97.3	Very high	111 Å²	111	51.5 Å²	51.5	52%	0.519	28%	0.281	S	S	.	.			trans	-107.7	161.2	176.1	-67.8	177.4	43.8	0	0	110.5	E98 S102 D103	E98-Q100 PolarHBondContact O-N 3.26Å; Q100-S102 PolarHBondContact O-N 2.83Å; Q100-D103 PolarHBondContact N-OD2 2.67Å; Q100-D103 WeakPolarHBondContact O-CB 3.39Å; Q100-D103 PolarHBondContact O-N 3.41Å
101	P	95.5	Very high	97.2	Very high	88 Å²	88	51 Å²	51	57%	0.571	28%	0.279	S	S	*	.	G	3₁₀ helix	trans	-52.2	-31.4	174.3	-29.2	36.3	0	0	0	113.8	D103 S104	P101-D103 VanDerWaalsContact C-N 3.25Å; P101-D103 PolarHBondContact O-N 2.89Å; P101-S104 VanDerWaalsContact O-CB 3.27Å; P101-S104 WeakPolarHBondContact O-CB 3.28Å; P101-S104 PolarHBondContact O-N 3.14Å; P101-S104 PolarHBondContact O-OG 3.5Å
102	S	94.9	Very high	96.9	Very high	81 Å²	81	52.4 Å²	52.4	57%	0.566	29%	0.294	S	S	*	.	G	3₁₀ helix	trans	-65.9	-20.6	175.2	53.4	0	0	0	0	114.7	H59 Q100 S104	H59-S102 PolarHBondContact CE1-O 3.13Å; Q100-S102 PolarHBondContact O-N 2.83Å; S102-S104 PolarHBondContact O-N 3.44Å
103	D	96.2	Very high	96.8	Very high	21 Å²	21	55 Å²	55	11%	0.112	31%	0.309	C	S	.	.	G	3₁₀ helix	trans	-80.5	-3.9	175.9	-63.1	-49.8	0	0	0	112.5	R57 Q100 P101 A105 Y107	R57-D103 IonicContact NH1-OD1 2.72Å; Q100-D103 PolarHBondContact N-OD2 2.67Å; Q100-D103 WeakPolarHBondContact O-CB 3.39Å; Q100-D103 PolarHBondContact O-N 3.41Å; P101-D103 VanDerWaalsContact C-N 3.25Å; P101-D103 PolarHBondContact O-N 2.89Å; D103-A105 PolarHBondContact O-N 3.49Å; D103-Y107 WeakPolarHBondContact O-CE2 3.4Å; D103-Y107 PolarHBondContact O-OH 3.07Å
104	S	96.8	Very high	96.7	Very high	91 Å²	91	54.9 Å²	54.9	64%	0.636	31%	0.312	S	S	*	.			trans	-61.8	110.2	175.1	-57.4	0	0	0	0	110.6	H59 P101 S102	H59-S104 PolarHBondContact ND1-O 3.28Å; P101-S104 VanDerWaalsContact O-CB 3.27Å; P101-S104 WeakPolarHBondContact O-CB 3.28Å; P101-S104 PolarHBondContact O-N 3.14Å; P101-S104 PolarHBondContact O-OG 3.5Å; S102-S104 PolarHBondContact O-N 3.44Å
105	A	97.7	Very high	96.6	Very high	32 Å²	32	57.9 Å²	57.9	26%	0.264	33%	0.329	S	S	.	.	S	Bend	trans	-159.5	169	-174.2	0	0	0	0	0	111.6	R57 D103 Y107	R57-A105 HydrophobicContact CG-CB 3.55Å; D103-A105 PolarHBondContact O-N 3.49Å; A105-Y107 HydrophobicContact CB-CD2 4.35Å; A105-Y107 HydrophobicContact CB-CE2 3.82Å; A105-Y107 WeakPolarHBondContact O-CD2 3.27Å
106	L	98.2	Very high	96.5	Very high	86 Å²	86	59.1 Å²	59.1	45%	0.45	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	133.5	162.2	175.4	65.1	0	0	0	109.1	R57 Q58 L108	R57-L106 CarbonylContact C-O 3.52Å; R57-L106 WeakPolarHBondContact CA-O 3.33Å; Q58-L106 HydrophobicContact CB-CB 4.29Å; Q58-L106 PolarHBondContact N-O 2.93Å; Q58-L106 PolarHBondContact O-N 2.95Å; L106-L108 HydrophobicContact CD1-CD2 4.12Å; L106-L108 HydrophobicContact CD2-CD1 4.11Å; L106-L108 HydrophobicContact CD2-CD2 4.29Å; L106-L108 HydrophobicContact CD2-CG 4.16Å; L106-L108 HydrophobicContact CG-CD2 4.22Å; L106-L108 HydrophobicContact CG-CG 4.08Å
107	Y	98.3	Very high	96.4	Very high	21 Å²	21	62.2 Å²	62.2	8%	0.082	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	125.7	176	-70.6	-93.5	0	0	0	110.2	Q26 L41 Y56 R57 L67 F81 L94 I96 D103 A105	Q26-Y107 PolarHBondContact NE2-O 3.46Å; L41-Y107 VanDerWaalsContact CD1-CB 3.46Å; L41-Y107 HydrophobicContact CD1-CD1 4.44Å; L41-Y107 HydrophobicContact CD1-CD2 4.17Å; L41-Y107 HydrophobicContact CD1-CG 3.79Å; Y56-Y107 WeakPolarHBondContact O-CA 3.44Å; R57-Y107 HydrophobicContact CB-CD1 4.41Å; R57-Y107 HydrophobicContact CB-CE1 4.21Å; R57-Y107 HydrophobicContact CG-CD1 4.42Å; R57-Y107 HydrophobicContact CG-CE1 3.93Å; L67-Y107 HydrophobicContact CD2-CD1 3.99Å; L67-Y107 HydrophobicContact CD2-CE1 3.71Å; F81-Y107 HydrophobicContact CE1-CE1 4.09Å; L94-Y107 HydrophobicContact CD2-CD1 3.56Å; L94-Y107 HydrophobicContact CD2-CE1 4.03Å; L94-Y107 HydrophobicContact CD2-CG 4.39Å; I96-Y107 HydrophobicContact CD1-CE1 4.02Å; I96-Y107 HydrophobicContact CD1-CE2 4.13Å; D103-Y107 WeakPolarHBondContact O-CE2 3.4Å; D103-Y107 PolarHBondContact O-OH 3.07Å; A105-Y107 HydrophobicContact CB-CD2 4.35Å; A105-Y107 HydrophobicContact CB-CE2 3.82Å; A105-Y107 WeakPolarHBondContact O-CD2 3.27Å
108	L	97.9	Very high	96.3	Very high	63 Å²	63	59.3 Å²	59.3	33%	0.33	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	134.5	-177.9	-63	175.9	0	0	0	110.7	W55 Y56 L64 L106	W55-L108 CarbonylContact C-O 3.54Å; W55-L108 WeakPolarHBondContact CA-O 3.4Å; Y56-L108 PolarHBondContact N-O 3.07Å; Y56-L108 PolarHBondContact O-N 3.46Å; L64-L108 HydrophobicContact CD1-CD1 4.01Å; L106-L108 HydrophobicContact CD1-CD2 4.12Å; L106-L108 HydrophobicContact CD2-CD1 4.11Å; L106-L108 HydrophobicContact CD2-CD2 4.29Å; L106-L108 HydrophobicContact CD2-CG 4.16Å; L106-L108 HydrophobicContact CG-CD2 4.22Å; L106-L108 HydrophobicContact CG-CG 4.08Å
109	C	97.9	Very high	96.3	Very high	10 Å²	10	53.6 Å²	53.6	7%	0.068	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	136.2	170.9	173.1	0	0	0	0	109.1	Q26 C43 R54 W55	Q26-C109 HydrophobicContact CG-CB 4.1Å; C43-C109 HydrophobicContact CB-CB 3.41Å; C43-C109 VanDerWaalsContact CB-CB 3.41Å; C43-C109 WeakPolarHBondContact CB-SG 3.33Å; C43-C109 WeakPolarHBondContact SG-CB 3.14Å; C43-C109 CovalentContact SG-SG 2.03Å; C43-C109 PolarHBondContact SG-SG 2.94Å; R54-C109 CarbonylContact O-C 3.56Å; R54-C109 WeakPolarHBondContact O-CA 3.09Å; W55-C109 HydrophobicContact CD2-CB 4.17Å; W55-C109 HydrophobicContact CE3-CB 3.93Å; W55-C109 HydrophobicContact CH2-CB 3.86Å; W55-C109 HydrophobicContact CZ2-CB 4.08Å; W55-C109 HydrophobicContact CZ3-CB 3.77Å
110	A	96.3	Very high	96.3	Very high	38 Å²	38	57.1 Å²	57.1	31%	0.314	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	153.8	169.3	0	0	0	0	0	110.8	R54 Y56	R54-A110 PolarHBondContact N-O 3.36Å; R54-A110 PolarHBondContact O-N 2.77Å; Y56-A110 HydrophobicContact CD2-CB 4.39Å; Y56-A110 HydrophobicContact CE2-CB 3.75Å
111	V	95.2	Very high	96.2	Very high	23 Å²	23	52.6 Å²	52.6	14%	0.139	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	139.3	176.1	72.9	0	0	0	0	109.4	K23 V24 S50 N52 F53	K23-V111 HydrophobicContact CB-CG1 3.78Å; K23-V111 HydrophobicContact CD-CG1 4.16Å; V24-V111 HydrophobicContact CG1-CB 4.03Å; V24-V111 HydrophobicContact CG1-CG1 3.41Å; V24-V111 VanDerWaalsContact CG1-CG1 3.41Å; S50-V111 WeakPolarHBondContact OG-CG2 3.49Å; N52-V111 WeakPolarHBondContact O-CA 3.32Å; F53-V111 HydrophobicContact CD1-CB 3.99Å; F53-V111 HydrophobicContact CD1-CG2 3.47Å; F53-V111 VanDerWaalsContact CD1-CG2 3.47Å; F53-V111 HydrophobicContact CE1-CB 4.17Å; F53-V111 HydrophobicContact CE1-CG2 3.33Å; F53-V111 HydrophobicContact CG-CG2 4.27Å; F53-V111 HydrophobicContact CZ-CG2 4Å
112	S	90.3	Very high	96.3	Very high	77 Å²	77	49.4 Å²	49.4	54%	0.538	32%	0.318	S	S	.	.			trans	-108.5	0	170.2	61.1	0	0	0	0	111.2	K23 N52	K23-S112 PolarHBondContact NZ-OXT 3.05Å; N52-S112 WeakPolarHBondContact CB-OG 3.43Å; N52-S112 PolarHBondContact ND2-OG 2.95Å; N52-S112 PolarHBondContact O-N 2.84Å

Retrieved 112 of 112 residues in 121.5 ms (Link to these results)

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