X5J5K8_MOUSE Loading...

IgM heavy chain VDJ region

AlphaFold DB , UniProt , Accession X5J5K8, Species MOUSE (Mus musculus, Mouse), Gene n/a, Length 113 aa.

						>X5J5K8_MOUSE|X5J5K8
GGLVQPKGSLKLSCAASGFSFNTYAMNWVRQAPGKGLEWVARIRSKSNNYATYYADSVKDRFTISRDDSESMLYLQMNNLKTEDTAMYYCVRQDLGRGYFDVWGTGTTVTVSS
					

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

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	G	75.9	Confident	92.9	Very high	55 Å²	55	75.4 Å²	75.4	57%	0.567	43%	0.433	S	S	*	.				0	177	0	0	0	0	0	0	109.3	T107 T108	G1-T107 WeakPolarHBondContact CA-OG1 3.42Å; G1-T107 PolarHBondContact N-OG1 3.04Å; G1-T108 CarbonylContact C-O 3.59Å; G1-T108 WeakPolarHBondContact CA-O 3.41Å
2	G	89.8	Confident	93.4	Very high	27 Å²	27	69.3 Å²	69.3	28%	0.278	40%	0.398	S	S	.	.	E	Extended strand (participates in β ladder)	trans	174.4	159.3	179.5	0	0	0	0	0	113.5	T108 T110	G2-T108 PolarHBondContact N-O 2.82Å; G2-T110 PolarHBondContact O-N 2.92Å
3	L	92.4	Very high	93.7	Very high	123 Å²	123	69.7 Å²	69.7	64%	0.644	41%	0.407	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-94.9	128.2	167.9	177	64.6	0	0	0	108.5	T110 S112	L3-T110 WeakPolarHBondContact CA-O 3.31Å; L3-T110 HydrophobicContact CD1-CG2 3.72Å; L3-S112 WeakPolarHBondContact CD1-OG 3.45Å
4	V	93.6	Very high	94	Very high	25 Å²	25	65.9 Å²	65.9	15%	0.152	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	147.2	-178.9	-70.1	0	0	0	0	110.4	L10 L80 T110 V111 S112	V4-L10 HydrophobicContact CG1-CB 4.37Å; V4-L10 HydrophobicContact CG1-CD1 4.49Å; V4-L80 HydrophobicContact CB-CD1 4.43Å; V4-L80 HydrophobicContact CG2-CD1 3.41Å; V4-L80 VanDerWaalsContact CG2-CD1 3.41Å; V4-T110 PolarHBondContact N-O 3.26Å; V4-V111 HydrophobicContact CG2-CG2 3.95Å; V4-V111 VanDerWaalsContact O-CA 3.26Å; V4-V111 WeakPolarHBondContact O-CA 3.37Å; V4-S112 PolarHBondContact O-N 2.84Å
5	Q	93.6	Very high	94.2	Very high	127 Å²	127	66.7 Å²	66.7	59%	0.593	40%	0.403	S	S	*	.			trans	-75.7	155.9	173.7	-74.4	-168.9	-20	0	0	111.3	G8 S113	Q5-G8 WeakPolarHBondContact O-CA 3.31Å; Q5-G8 PolarHBondContact O-N 3.33Å; Q5-S113 PolarHBondContact NE2-OXT 2.62Å
6	P	95.1	Very high	94.3	Very high	54 Å²	54	63.6 Å²	63.6	35%	0.351	39%	0.387	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.2	146.2	171.8	-25.4	34.2	0	0	0	111.9	G8 L80 T82 V111	P6-G8 PolarHBondContact O-N 2.97Å; P6-L80 CarbonylContact C-O 3.6Å; P6-L80 WeakPolarHBondContact CA-O 3.39Å; P6-T82 HydrophobicContact CG-CG2 4.2Å; P6-V111 HydrophobicContact CB-CG1 4.47Å; P6-V111 HydrophobicContact CG-CG1 4.16Å
7	K	94.3	Very high	94.2	Very high	178 Å²	178	65.9 Å²	65.9	77%	0.774	41%	0.407	S	S	*	.	T	Hydrogen-bonded Turn	trans	67.1	-4.2	-171	-50.1	176.2	-179.8	176.6	0	114.9	L80	K7-L80 PolarHBondContact N-O 3.4Å
8	G	95.3	Very high	94.1	Very high	26 Å²	26	67.1 Å²	67.1	27%	0.268	43%	0.433	S	S	.	.			trans	-68.8	174.8	171.4	0	0	0	0	0	113	Q5 P6 N79 L80	Q5-G8 WeakPolarHBondContact O-CA 3.31Å; Q5-G8 PolarHBondContact O-N 3.33Å; P6-G8 PolarHBondContact O-N 2.97Å; G8-N79 PolarHBondContact O-N 3.33Å; G8-L80 PolarHBondContact O-N 3.11Å
9	S	97	Very high	93.9	Very high	65 Å²	65	65.6 Å²	65.6	46%	0.455	42%	0.42	S	S	.	.			trans	-127	148.3	177.4	-61.3	0	0	0	0	111.5	M77 N78	S9-M77 CarbonylContact C-O 3.54Å; S9-M77 WeakPolarHBondContact CA-O 3.24Å; S9-M77 WeakPolarHBondContact CB-O 3.15Å; S9-N78 PolarHBondContact OG-OD1 3.25Å; S9-N78 VanDerWaalsContact OG-OD1 3.11Å
10	L	97.1	Very high	93.9	Very high	33 Å²	33	66.3 Å²	66.3	17%	0.173	43%	0.426	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	149.2	175.5	-176.2	66	0	0	0	109.5	V4 L12 M77 L80 V109	V4-L10 HydrophobicContact CG1-CB 4.37Å; V4-L10 HydrophobicContact CG1-CD1 4.49Å; L10-L12 HydrophobicContact CD2-CD2 3.75Å; L10-L12 HydrophobicContact CG-CD2 4.24Å; L10-M77 PolarHBondContact N-O 2.81Å; L10-M77 WeakPolarHBondContact O-CB 3.15Å; L10-M77 PolarHBondContact O-N 2.91Å; L10-L80 HydrophobicContact CB-CD1 3.98Å; L10-V109 HydrophobicContact CD2-CG1 4.01Å; L10-V109 HydrophobicContact CD2-CG2 3.78Å
11	K	98.1	Very high	93.8	Very high	116 Å²	116	63.3 Å²	63.3	50%	0.504	41%	0.407	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	119.5	169.3	-170.2	177.7	177.5	-173.6	0	109.4	Y74 L75	K11-Y74 VanDerWaalsContact CE-CD1 3.47Å; K11-L75 WeakPolarHBondContact CA-O 3.47Å
12	L	98.4	Very high	94.6	Very high	3 Å²	3	64.5 Å²	64.5	2%	0.016	40%	0.4	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	147.6	168.6	-57.1	-177	0	0	0	110	L10 W28 Y74 L75 M77 Y88 T107 V109	L10-L12 HydrophobicContact CD2-CD2 3.75Å; L10-L12 HydrophobicContact CG-CD2 4.24Å; L12-W28 HydrophobicContact CB-CH2 3.74Å; L12-W28 HydrophobicContact CB-CZ2 3.95Å; L12-W28 HydrophobicContact CB-CZ3 4.33Å; L12-W28 HydrophobicContact CD1-CE3 4.41Å; L12-W28 HydrophobicContact CD1-CH2 4.28Å; L12-W28 HydrophobicContact CD1-CZ3 4.02Å; L12-Y74 CarbonylContact O-C 3.53Å; L12-Y74 VanDerWaalsContact O-CA 3.25Å; L12-Y74 WeakPolarHBondContact O-CA 3.46Å; L12-L75 HydrophobicContact CB-CB 4.26Å; L12-L75 PolarHBondContact N-O 3.09Å; L12-L75 PolarHBondContact O-N 2.81Å; L12-M77 HydrophobicContact CD1-SD 3.76Å; L12-M77 HydrophobicContact CG-SD 3.81Å; L12-Y88 HydrophobicContact CD1-CD1 4.09Å; L12-Y88 HydrophobicContact CD1-CD2 4.38Å; L12-Y88 HydrophobicContact CD1-CG 3.79Å; L12-T107 HydrophobicContact CD1-CG2 4.17Å; L12-T107 HydrophobicContact CD2-CG2 3.86Å; L12-V109 HydrophobicContact CD1-CG2 4.06Å; L12-V109 HydrophobicContact CD2-CG2 3.86Å; L12-V109 HydrophobicContact CG-CG2 4.44Å
13	S	98	Very high	94.7	Very high	74 Å²	74	66.7 Å²	66.7	52%	0.517	41%	0.408	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	149.6	173.5	56.4	0	0	0	0	110	L73	S13-L73 CarbonylContact C-O 3.45Å; S13-L73 VanDerWaalsContact CA-O 3.31Å; S13-L73 WeakPolarHBondContact CA-O 3.22Å
14	C	97.9	Very high	94.8	Very high	17 Å²	17	63.8 Å²	63.8	12%	0.115	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	118.4	174.7	164.9	0	0	0	0	109.3	W28 M72 L73 C90	C14-W28 HydrophobicContact CB-CH2 3.97Å; C14-W28 HydrophobicContact CB-CZ2 3.99Å; C14-M72 WeakPolarHBondContact O-CA 3.25Å; C14-L73 HydrophobicContact CB-CB 4.29Å; C14-L73 PolarHBondContact N-O 2.86Å; C14-L73 PolarHBondContact O-N 2.92Å; C14-C90 HydrophobicContact CB-CB 3.41Å; C14-C90 VanDerWaalsContact CB-CB 3.41Å; C14-C90 WeakPolarHBondContact CB-SG 3.46Å; C14-C90 WeakPolarHBondContact SG-CB 3.44Å; C14-C90 CovalentContact SG-SG 2.02Å; C14-C90 PolarHBondContact SG-SG 2.94Å
15	A	97.1	Very high	94.9	Very high	77 Å²	77	62.7 Å²	62.7	64%	0.636	38%	0.382	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-82.4	128.9	171.3	0	0	0	0	0	109.4	M72	A15-M72 WeakPolarHBondContact CA-SD 3.2Å; A15-M72 HydrophobicContact CB-SD 3.56Å; A15-M72 VanDerWaalsContact CB-SD 3.56Å
16	A	95	Very high	95	Very high	18 Å²	18	56.9 Å²	56.9	15%	0.149	36%	0.355	C	S	.	.			trans	-100.6	141.3	175.4	0	0	0	0	0	110.7	F19 F21 S71	A16-F19 HydrophobicContact CB-CE1 4.06Å; A16-F19 HydrophobicContact CB-CZ 3.72Å; A16-F21 HydrophobicContact CB-CD2 3.33Å; A16-F21 HydrophobicContact CB-CE2 3.76Å; A16-F21 HydrophobicContact CB-CG 4.23Å; A16-S71 PolarHBondContact N-O 3.46Å
17	S	93.4	Very high	95.2	Very high	103 Å²	103	54.3 Å²	54.3	72%	0.72	34%	0.339	S	S	*	.			trans	-145.7	161.1	176	63.1	0	0	0	0	110.5	F19	S17-F19 VanDerWaalsContact O-CD1 3.27Å; S17-F19 WeakPolarHBondContact O-CD1 3.31Å
18	G	92.1	Very high	95.4	Very high	86 Å²	86	46 Å²	46	89%	0.887	30%	0.303	S	S	*	.	S	Bend	trans	81.6	8.4	177.1	0	0	0	0	0	115.8
19	F	91	Very high	95.5	Very high	40 Å²	40	45 Å²	45	18%	0.175	29%	0.291	C	S	.	.	S	Bend	trans	-158.9	164.3	173	61.7	-84.5	0	0	0	112.1	A16 S17 F21 Y24 M26 R92 V102	A16-F19 HydrophobicContact CB-CE1 4.06Å; A16-F19 HydrophobicContact CB-CZ 3.72Å; S17-F19 VanDerWaalsContact O-CD1 3.27Å; S17-F19 WeakPolarHBondContact O-CD1 3.31Å; F19-F21 HydrophobicContact CE2-CB 4.34Å; F19-F21 HydrophobicContact CE2-CD2 4.11Å; F19-F21 HydrophobicContact CZ-CD2 4.28Å; F19-F21 PolarHBondContact O-N 3.05Å; F19-Y24 HydrophobicContact CB-CE2 4.35Å; F19-Y24 AromaticContact CD2-CD2 3.6Å; F19-Y24 HydrophobicContact CD2-CD2 3.6Å; F19-Y24 HydrophobicContact CD2-CE2 4.04Å; F19-Y24 HydrophobicContact CD2-CG 4.35Å; F19-Y24 HydrophobicContact CE2-CD2 4.18Å; F19-M26 HydrophobicContact CE2-SD 4.05Å; F19-M26 HydrophobicContact CZ-CE 4.17Å; F19-M26 HydrophobicContact CZ-SD 4.06Å; F19-R92 VanDerWaalsContact CB-NH1 3.31Å; F19-R92 HydrophobicContact CE2-CG 4.06Å; F19-R92 HydrophobicContact CZ-CB 4.26Å; F19-R92 HydrophobicContact CZ-CG 4.26Å; F19-V102 HydrophobicContact CE1-CG1 4.21Å
20	S	92.2	Very high	95.6	Very high	78 Å²	78	42.6 Å²	42.6	55%	0.545	27%	0.272	S	S	.	.			trans	-71.2	85	174.9	-55.8	0	0	0	0	111.3	N22 T23 Y24	S20-N22 PolarHBondContact O-N 2.8Å; S20-N22 VanDerWaalsContact O-N 3.1Å; S20-T23 PolarHBondContact O-N 3.3Å; S20-T23 VanDerWaalsContact O-N 3.1Å; S20-T23 PolarHBondContact O-OG1 3.08Å; S20-Y24 VanDerWaalsContact O-CD2 3.28Å; S20-Y24 WeakPolarHBondContact O-CD2 3.36Å
21	F	93.6	Very high	95.6	Very high	5 Å²	5	44.7 Å²	44.7	2%	0.022	28%	0.281	C	S	.	.	G	3₁₀ helix	trans	-48	-43.3	-173.3	179.9	-103.5	0	0	0	114	A16 F19 T23 Y24 M26 R66 D68 M72 L73	A16-F21 HydrophobicContact CB-CD2 3.33Å; A16-F21 HydrophobicContact CB-CE2 3.76Å; A16-F21 HydrophobicContact CB-CG 4.23Å; F19-F21 HydrophobicContact CE2-CB 4.34Å; F19-F21 HydrophobicContact CE2-CD2 4.11Å; F19-F21 HydrophobicContact CZ-CD2 4.28Å; F19-F21 PolarHBondContact O-N 3.05Å; F21-T23 PolarHBondContact O-N 3.2Å; F21-T23 VanDerWaalsContact O-N 3.17Å; F21-Y24 PolarHBondContact O-N 2.9Å; F21-M26 HydrophobicContact CD2-CE 4.41Å; F21-M26 HydrophobicContact CD2-CG 4.1Å; F21-M26 HydrophobicContact CD2-SD 4.05Å; F21-M26 HydrophobicContact CE2-CE 3.98Å; F21-M26 HydrophobicContact CE2-CG 3.51Å; F21-M26 HydrophobicContact CE2-SD 3.89Å; F21-M26 HydrophobicContact CZ-CG 3.99Å; F21-R66 VanDerWaalsContact C-NH2 3.35Å; F21-R66 HydrophobicContact CE1-CB 4.13Å; F21-R66 VanDerWaalsContact CE1-NH2 3.3Å; F21-R66 HydrophobicContact CZ-CB 4.15Å; F21-R66 PolarHBondContact O-NH2 3.45Å; F21-D68 WeakPolarHBondContact CD1-OD1 3.39Å; F21-D68 WeakPolarHBondContact CE1-OD1 3.43Å; F21-M72 WeakPolarHBondContact CZ-O 3.32Å; F21-L73 HydrophobicContact CE2-CB 4.46Å; F21-L73 HydrophobicContact CZ-CB 4.26Å
22	N	92.4	Very high	95.6	Very high	79 Å²	79	39.8 Å²	39.8	42%	0.422	26%	0.262	S	S	.	.	G	3₁₀ helix	trans	-62.4	-20	-176.6	67.5	-7.8	0	0	0	115.4	S20 S45 D68	S20-N22 PolarHBondContact O-N 2.8Å; S20-N22 VanDerWaalsContact O-N 3.1Å; N22-S45 VanDerWaalsContact O-CB 3.28Å; N22-S45 WeakPolarHBondContact O-CB 3.45Å; N22-D68 HydrophobicContact CB-CB 4.13Å
23	T	91.8	Very high	95.4	Very high	74 Å²	74	45.1 Å²	45.1	45%	0.454	30%	0.297	S	S	.	.	G	3₁₀ helix	trans	-90.9	-17.2	-179.2	60.5	0	0	0	0	113.6	S20 F21 S45	S20-T23 PolarHBondContact O-N 3.3Å; S20-T23 VanDerWaalsContact O-N 3.1Å; S20-T23 PolarHBondContact O-OG1 3.08Å; F21-T23 PolarHBondContact O-N 3.2Å; F21-T23 VanDerWaalsContact O-N 3.17Å; T23-S45 WeakPolarHBondContact O-CB 3.48Å
24	Y	93.5	Very high	95.2	Very high	62 Å²	62	46 Å²	46	24%	0.243	32%	0.317	C	S	.	.	S	Bend	trans	-102	151.3	-175.2	-65.4	-86.4	0	0	0	112.7	F19 S20 F21 R66 R92	F19-Y24 HydrophobicContact CB-CE2 4.35Å; F19-Y24 AromaticContact CD2-CD2 3.6Å; F19-Y24 HydrophobicContact CD2-CD2 3.6Å; F19-Y24 HydrophobicContact CD2-CE2 4.04Å; F19-Y24 HydrophobicContact CD2-CG 4.35Å; F19-Y24 HydrophobicContact CE2-CD2 4.18Å; S20-Y24 VanDerWaalsContact O-CD2 3.28Å; S20-Y24 WeakPolarHBondContact O-CD2 3.36Å; F21-Y24 PolarHBondContact O-N 2.9Å; Y24-R66 PolarHBondContact O-NH1 2.91Å; Y24-R92 HydrophobicContact CD1-CG 3.94Å; Y24-R92 HydrophobicContact CG-CG 3.86Å
25	A	95	Very high	95.1	Very high	1 Å²	1	51 Å²	51	1%	0.008	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	142.5	163.7	0	0	0	0	0	109.4	R42 I43 Q93 L95	A25-R42 HydrophobicContact CB-CG 4.4Å; A25-I43 WeakPolarHBondContact CA-O 3.23Å; A25-Q93 HydrophobicContact CB-CB 4.3Å; A25-Q93 PolarHBondContact O-N 3.17Å; A25-L95 HydrophobicContact CB-CD2 4.13Å
26	M	97.3	Very high	95.1	Very high	5 Å²	5	49.8 Å²	49.8	3%	0.025	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	143.9	-179	-62.7	-57.7	-60.1	0	0	109.7	F19 F21 R42 I43 L73 R92	F19-M26 HydrophobicContact CE2-SD 4.05Å; F19-M26 HydrophobicContact CZ-CE 4.17Å; F19-M26 HydrophobicContact CZ-SD 4.06Å; F21-M26 HydrophobicContact CD2-CE 4.41Å; F21-M26 HydrophobicContact CD2-CG 4.1Å; F21-M26 HydrophobicContact CD2-SD 4.05Å; F21-M26 HydrophobicContact CE2-CE 3.98Å; F21-M26 HydrophobicContact CE2-CG 3.51Å; F21-M26 HydrophobicContact CE2-SD 3.89Å; F21-M26 HydrophobicContact CZ-CG 3.99Å; M26-R42 WeakPolarHBondContact O-CA 3.26Å; M26-I43 HydrophobicContact CB-CG2 4.15Å; M26-I43 PolarHBondContact N-O 3.46Å; M26-I43 PolarHBondContact O-N 3.42Å; M26-L73 HydrophobicContact CB-CD1 3.63Å; M26-L73 HydrophobicContact CB-CD2 3.88Å; M26-L73 HydrophobicContact CB-CG 4.3Å; M26-L73 HydrophobicContact CG-CD1 4.47Å; M26-R92 HydrophobicContact CE-CB 4.42Å; M26-R92 HydrophobicContact SD-CB 4.14Å; M26-R92 HydrophobicContact SD-CG 4.25Å
27	N	97.9	Very high	95.2	Very high	1 Å²	1	53.6 Å²	53.6	1%	0.005	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	155	-172.2	-59.3	-96.6	0	0	0	110.5	W39 A41 R42 C90 V91 Q93 F100	N27-W39 PolarHBondContact OD1-NE1 2.84Å; N27-W39 VanDerWaalsContact OD1-NE1 3.09Å; N27-A41 CarbonylContact C-O 3.44Å; N27-A41 VanDerWaalsContact CA-O 3.23Å; N27-A41 WeakPolarHBondContact CA-O 3.12Å; N27-R42 WeakPolarHBondContact OD1-CB 3.4Å; N27-R42 WeakPolarHBondContact OD1-CD 3.45Å; N27-R42 WeakPolarHBondContact OD1-CG 3.45Å; N27-C90 CarbonylContact O-C 3.55Å; N27-C90 WeakPolarHBondContact O-CA 3.47Å; N27-V91 HydrophobicContact CB-CB 4.41Å; N27-V91 PolarHBondContact N-O 2.74Å; N27-V91 PolarHBondContact O-N 2.73Å; N27-Q93 WeakPolarHBondContact ND2-CB 3.4Å; N27-F100 HydrophobicContact CB-CE1 4.4Å; N27-F100 HydrophobicContact CB-CZ 4.44Å
28	W	98.4	Very high	95.4	Very high	4 Å²	4	51.5 Å²	51.5	2%	0.015	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	134.3	158.8	-75.2	96.3	0	0	0	109.2	L12 C14 V40 A41 L73 L75 Y89 C90	L12-W28 HydrophobicContact CB-CH2 3.74Å; L12-W28 HydrophobicContact CB-CZ2 3.95Å; L12-W28 HydrophobicContact CB-CZ3 4.33Å; L12-W28 HydrophobicContact CD1-CE3 4.41Å; L12-W28 HydrophobicContact CD1-CH2 4.28Å; L12-W28 HydrophobicContact CD1-CZ3 4.02Å; C14-W28 HydrophobicContact CB-CH2 3.97Å; C14-W28 HydrophobicContact CB-CZ2 3.99Å; W28-V40 HydrophobicContact CB-CB 4.15Å; W28-V40 WeakPolarHBondContact O-CB 3.5Å; W28-V40 PolarHBondContact O-N 3.45Å; W28-A41 PolarHBondContact N-O 3.07Å; W28-A41 PolarHBondContact O-N 3.19Å; W28-L73 HydrophobicContact CZ2-CD2 4.38Å; W28-L75 HydrophobicContact CB-CD2 4.18Å; W28-L75 HydrophobicContact CD2-CB 4.21Å; W28-L75 HydrophobicContact CD2-CD2 4.24Å; W28-L75 HydrophobicContact CG-CB 4.21Å; W28-L75 HydrophobicContact CG-CD1 4.47Å; W28-L75 HydrophobicContact CG-CD2 3.95Å; W28-L75 HydrophobicContact CG-CG 4.45Å; W28-L75 HydrophobicContact CZ2-CB 4.36Å; W28-Y89 WeakPolarHBondContact CA-O 3.28Å; W28-Y89 VanDerWaalsContact CE3-C 3.49Å; W28-C90 HydrophobicContact CD2-CB 4.46Å; W28-C90 HydrophobicContact CE3-CB 4.33Å; W28-C90 HydrophobicContact CH2-CB 4.14Å; W28-C90 HydrophobicContact CZ2-CB 4.26Å; W28-C90 HydrophobicContact CZ3-CB 4.17Å
29	V	98.4	Very high	95.6	Very high	3 Å²	3	51.6 Å²	51.6	2%	0.018	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	145.1	173.8	178.1	0	0	0	0	106.9	L37 E38 Y88 Y89 V91 F100 W103	V29-L37 HydrophobicContact CG1-CB 3.88Å; V29-L37 HydrophobicContact CG1-CD2 3.78Å; V29-L37 HydrophobicContact CG1-CG 4.37Å; V29-E38 CarbonylContact C-O 3.52Å; V29-E38 WeakPolarHBondContact CA-O 3.41Å; V29-E38 WeakPolarHBondContact CG1-O 3.16Å; V29-Y88 CarbonylContact O-C 3.49Å; V29-Y88 WeakPolarHBondContact O-CA 3.42Å; V29-Y89 PolarHBondContact N-O 3.27Å; V29-Y89 PolarHBondContact O-N 2.84Å; V29-V91 HydrophobicContact CB-CG2 4.14Å; V29-V91 HydrophobicContact CG2-CG2 3.8Å; V29-F100 HydrophobicContact CG2-CD2 4.42Å; V29-F100 HydrophobicContact CG2-CE2 3.97Å; V29-W103 HydrophobicContact CB-CH2 4.19Å; V29-W103 HydrophobicContact CB-CZ3 3.9Å; V29-W103 HydrophobicContact CG1-CH2 3.98Å; V29-W103 HydrophobicContact CG1-CZ3 3.89Å; V29-W103 HydrophobicContact CG2-CH2 4.07Å; V29-W103 HydrophobicContact CG2-CZ3 4.18Å
30	R	98.2	Very high	96	Very high	16 Å²	16	49.7 Å²	49.7	6%	0.06	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	156.4	175.6	74.3	-178.7	-176.5	-176.4	3.5	112	E38 V40 D84 A86 M87 Y88	R30-E38 HydrophobicContact CG-CB 4.05Å; R30-E38 IonicContact CZ-OE2 3.41Å; R30-E38 PolarHBondContact N-O 2.9Å; R30-E38 IonicContact NE-OE2 3.87Å; R30-E38 PolarHBondContact NE-OE2 3.35Å; R30-E38 IonicContact NH2-OE2 3.22Å; R30-E38 PolarHBondContact NH2-OE2 3.36Å; R30-E38 PolarHBondContact O-N 3.26Å; R30-V40 HydrophobicContact CB-CG2 3.82Å; R30-V40 HydrophobicContact CG-CG2 3.59Å; R30-D84 IonicContact NH1-OD1 2.69Å; R30-D84 PolarHBondContact NH1-OD1 2.02Å; R30-A86 HydrophobicContact CB-CB 3.9Å; R30-A86 HydrophobicContact CG-CB 4.21Å; R30-M87 CarbonylContact C-O 3.44Å; R30-M87 WeakPolarHBondContact CA-O 3.43Å; R30-Y88 HydrophobicContact CB-CD1 3.78Å; R30-Y88 HydrophobicContact CB-CD2 4.39Å; R30-Y88 HydrophobicContact CB-CE1 3.72Å; R30-Y88 HydrophobicContact CB-CE2 4.32Å; R30-Y88 HydrophobicContact CB-CG 4.12Å; R30-Y88 WeakPolarHBondContact CD-OH 3.38Å; R30-Y88 HydrophobicContact CG-CE1 4.35Å; R30-Y88 PolarHBondContact NH1-OH 2.9Å
31	Q	98.2	Very high	96.2	Very high	76 Å²	76	46 Å²	46	36%	0.355	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	110.2	172.8	-168.2	174.9	20.2	0	0	109.6	K35 L37 A86 M87 Y89	Q31-K35 VanDerWaalsContact CG-O 3.31Å; Q31-K35 WeakPolarHBondContact CG-O 3.34Å; Q31-K35 PolarHBondContact NE2-O 2.9Å; Q31-K35 VanDerWaalsContact NE2-O 3.09Å; Q31-L37 HydrophobicContact CB-CD2 4.05Å; Q31-A86 WeakPolarHBondContact O-CA 3.37Å; Q31-A86 WeakPolarHBondContact O-CB 3.37Å; Q31-M87 PolarHBondContact N-O 2.91Å; Q31-M87 PolarHBondContact O-N 2.95Å; Q31-Y89 HydrophobicContact CB-CE2 4.03Å
32	A	97.1	Very high	96.4	Very high	14 Å²	14	48 Å²	48	12%	0.116	28%	0.276	C	S	.	.			trans	-77.3	153.9	171.8	0	0	0	0	0	110.4	G34 K35 A86	A32-G34 PolarHBondContact O-N 3.21Å; A32-K35 HydrophobicContact CB-CB 4.2Å; A32-K35 HydrophobicContact CB-CD 4.03Å; A32-K35 HydrophobicContact CB-CG 4.16Å; A32-K35 PolarHBondContact O-N 2.98Å; A32-A86 HydrophobicContact CB-CB 4.34Å
33	P	94.3	Very high	96.7	Very high	114 Å²	114	44.7 Å²	44.7	74%	0.74	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.1	127.2	176.2	-25.9	34.8	0	0	0	111.8	K35	P33-K35 PolarHBondContact O-N 3.13Å
34	G	95.3	Very high	96.9	Very high	92 Å²	92	44.7 Å²	44.7	95%	0.948	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	74.1	5.3	-178.9	0	0	0	0	0	115.6	A32	A32-G34 PolarHBondContact O-N 3.21Å
35	K	95.6	Very high	96.9	Very high	122 Å²	122	41.8 Å²	41.8	53%	0.53	24%	0.238	S	C	.	.			trans	-111.1	162	176.1	-61.8	-163.4	-178.1	177.5	0	112.5	Q31 A32 P33	Q31-K35 VanDerWaalsContact CG-O 3.31Å; Q31-K35 WeakPolarHBondContact CG-O 3.34Å; Q31-K35 PolarHBondContact NE2-O 2.9Å; Q31-K35 VanDerWaalsContact NE2-O 3.09Å; A32-K35 HydrophobicContact CB-CB 4.2Å; A32-K35 HydrophobicContact CB-CD 4.03Å; A32-K35 HydrophobicContact CB-CG 4.16Å; A32-K35 PolarHBondContact O-N 2.98Å; P33-K35 PolarHBondContact O-N 3.13Å
36	G	96.1	Very high	96.7	Very high	52 Å²	52	48.2 Å²	48.2	54%	0.536	27%	0.266	S	S	.	.			trans	-72.8	-179.9	168.9	0	0	0	0	0	112.6
37	L	96.6	Very high	96.4	Very high	99 Å²	99	52.7 Å²	52.7	52%	0.518	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.4	129.3	174.6	-69.2	165.4	0	0	0	110.5	V29 Q31 Y89 W103	V29-L37 HydrophobicContact CG1-CB 3.88Å; V29-L37 HydrophobicContact CG1-CD2 3.78Å; V29-L37 HydrophobicContact CG1-CG 4.37Å; Q31-L37 HydrophobicContact CB-CD2 4.05Å; L37-Y89 HydrophobicContact CD2-CD2 4.35Å; L37-Y89 HydrophobicContact CD2-CE2 4.25Å; L37-W103 HydrophobicContact CD1-CH2 3.88Å; L37-W103 HydrophobicContact CD1-CZ3 4.29Å; L37-W103 HydrophobicContact CD2-CH2 4.45Å; L37-W103 HydrophobicContact CD2-CZ3 4.16Å
38	E	97.5	Very high	96.1	Very high	59 Å²	59	55.4 Å²	55.4	28%	0.276	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	124.3	177.7	-65.4	176.9	-178.2	0	0	109.4	V29 R30	V29-E38 CarbonylContact C-O 3.52Å; V29-E38 WeakPolarHBondContact CA-O 3.41Å; V29-E38 WeakPolarHBondContact CG1-O 3.16Å; R30-E38 HydrophobicContact CG-CB 4.05Å; R30-E38 IonicContact CZ-OE2 3.41Å; R30-E38 PolarHBondContact N-O 2.9Å; R30-E38 IonicContact NE-OE2 3.87Å; R30-E38 PolarHBondContact NE-OE2 3.35Å; R30-E38 IonicContact NH2-OE2 3.22Å; R30-E38 PolarHBondContact NH2-OE2 3.36Å; R30-E38 PolarHBondContact O-N 3.26Å
39	W	97.6	Very high	95.9	Very high	87 Å²	87	62.2 Å²	62.2	33%	0.33	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.8	136.4	172.2	176.5	85.1	0	0	0	110.5	N27 R42 Y54 A55 F100	N27-W39 PolarHBondContact OD1-NE1 2.84Å; N27-W39 VanDerWaalsContact OD1-NE1 3.09Å; W39-R42 HydrophobicContact CZ2-CB 3.62Å; W39-Y54 VanDerWaalsContact CZ3-C 3.42Å; W39-A55 HydrophobicContact CE3-CB 3.96Å; W39-A55 HydrophobicContact CZ3-CB 4Å; W39-A55 VanDerWaalsContact CZ3-N 3.27Å; W39-A55 WeakPolarHBondContact O-CB 3.46Å; W39-F100 AromaticContact CD1-CZ 3.95Å
40	V	98.3	Very high	95.8	Very high	1 Å²	1	66.3 Å²	66.3	1%	0.006	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	-55	-173.3	178.1	0	0	0	0	111.7	W28 R30 A55 V58 F62 L75 Y88	W28-V40 HydrophobicContact CB-CB 4.15Å; W28-V40 WeakPolarHBondContact O-CB 3.5Å; W28-V40 PolarHBondContact O-N 3.45Å; R30-V40 HydrophobicContact CB-CG2 3.82Å; R30-V40 HydrophobicContact CG-CG2 3.59Å; V40-A55 PolarHBondContact O-N 2.93Å; V40-V58 HydrophobicContact CG1-CG1 4.26Å; V40-V58 HydrophobicContact CG1-CG2 3.96Å; V40-V58 WeakPolarHBondContact O-CG2 3.41Å; V40-F62 HydrophobicContact CG1-CD2 3.89Å; V40-F62 HydrophobicContact CG1-CE2 4.25Å; V40-L75 HydrophobicContact CG1-CD2 4.25Å; V40-Y88 HydrophobicContact CG2-CE1 4.24Å
41	A	98.3	Very high	95.8	Very high	0 Å²	0	67 Å²	67	0%	0	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.8	156.8	-176.5	0	0	0	0	0	111.3	N27 W28 Y53 Y54 I64 L75	N27-A41 CarbonylContact C-O 3.44Å; N27-A41 VanDerWaalsContact CA-O 3.23Å; N27-A41 WeakPolarHBondContact CA-O 3.12Å; W28-A41 PolarHBondContact N-O 3.07Å; W28-A41 PolarHBondContact O-N 3.19Å; A41-Y53 CarbonylContact C-O 3.59Å; A41-Y53 WeakPolarHBondContact CA-O 3.26Å; A41-Y54 HydrophobicContact CB-CD1 3.76Å; A41-Y54 HydrophobicContact CB-CE1 4.06Å; A41-I64 HydrophobicContact CB-CB 4.05Å; A41-I64 HydrophobicContact CB-CD1 4.08Å; A41-I64 HydrophobicContact CB-CG2 4.18Å; A41-L75 HydrophobicContact CB-CD1 4.25Å
42	R	97.4	Very high	95.8	Very high	48 Å²	48	66.1 Å²	66.1	18%	0.181	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	144	174.8	-177.4	176	65	-173	-6.9	110.6	A25 M26 N27 W39 T52 Y53	A25-R42 HydrophobicContact CB-CG 4.4Å; M26-R42 WeakPolarHBondContact O-CA 3.26Å; N27-R42 WeakPolarHBondContact OD1-CB 3.4Å; N27-R42 WeakPolarHBondContact OD1-CD 3.45Å; N27-R42 WeakPolarHBondContact OD1-CG 3.45Å; W39-R42 HydrophobicContact CZ2-CB 3.62Å; R42-T52 CarbonylContact O-C 3.52Å; R42-T52 VanDerWaalsContact O-CA 3.24Å; R42-T52 WeakPolarHBondContact O-CA 3.37Å; R42-Y53 PolarHBondContact N-O 3.3Å; R42-Y53 VanDerWaalsContact NH2-CD2 3.31Å; R42-Y53 PolarHBondContact O-N 2.69Å
43	I	97.8	Very high	95.8	Very high	8 Å²	8	69.6 Å²	69.6	4%	0.041	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	124.8	165	-173.1	158.8	0	0	0	108.7	A25 M26 T52 I64 R66 L73	A25-I43 WeakPolarHBondContact CA-O 3.23Å; M26-I43 HydrophobicContact CB-CG2 4.15Å; M26-I43 PolarHBondContact N-O 3.46Å; M26-I43 PolarHBondContact O-N 3.42Å; I43-T52 HydrophobicContact CB-CG2 4.2Å; I43-T52 HydrophobicContact CD1-CG2 3.96Å; I43-T52 HydrophobicContact CG1-CG2 3.95Å; I43-I64 HydrophobicContact CB-CD1 4.07Å; I43-I64 HydrophobicContact CB-CG1 4.22Å; I43-I64 HydrophobicContact CB-CG2 4.06Å; I43-I64 HydrophobicContact CG2-CD1 3.77Å; I43-I64 HydrophobicContact CG2-CG1 4.01Å; I43-R66 HydrophobicContact CD1-CB 4.31Å; I43-R66 HydrophobicContact CD1-CG 3.71Å; I43-R66 HydrophobicContact CG1-CG 4.3Å; I43-R66 HydrophobicContact CG2-CB 4.39Å; I43-R66 HydrophobicContact CG2-CG 4.48Å; I43-L73 HydrophobicContact CG2-CD1 3.57Å
44	R	95.4	Very high	96	Very high	75 Å²	75	67 Å²	67	28%	0.283	36%	0.36	S	S	.	.			trans	-72.7	168.1	176.5	-66.3	-168.2	171.4	161.3	-4.3	111.4	N48 A51 Y53 R66	R44-N48 HydrophobicContact CB-CB 3.59Å; R44-N48 HydrophobicContact CG-CB 4.25Å; R44-A51 HydrophobicContact CG-CB 4.42Å; R44-A51 PolarHBondContact N-O 3.37Å; R44-Y53 HydrophobicContact CG-CE2 4.22Å; R44-Y53 PolarHBondContact NH1-OH 2.99Å; R44-R66 PolarHBondContact O-NH1 3.18Å
45	S	93.8	Very high	96.2	Very high	1 Å²	1	63.3 Å²	63.3	1%	0.007	32%	0.321	C	S	.	.			trans	-66.4	169.9	174.1	57.2	0	0	0	0	112.3	N22 T23 S47 N48 Y50	N22-S45 VanDerWaalsContact O-CB 3.28Å; N22-S45 WeakPolarHBondContact O-CB 3.45Å; T23-S45 WeakPolarHBondContact O-CB 3.48Å; S45-S47 VanDerWaalsContact C-N 3.26Å; S45-S47 PolarHBondContact O-N 2.88Å; S45-S47 PolarHBondContact OG-OG 2.69Å; S45-S47 VanDerWaalsContact OG-OG 3.08Å; S45-N48 PolarHBondContact O-N 2.89Å; S45-N48 PolarHBondContact OG-ND2 2.96Å; S45-Y50 PolarHBondContact O-N 2.81Å
46	K	90.9	Very high	96.2	Very high	136 Å²	136	64.3 Å²	64.3	59%	0.591	33%	0.332	S	S	*	.	G	3₁₀ helix	trans	-53.7	-40	176.6	-175.2	172.8	-175.1	175.6	0	113.2	N48 N49 Y50	K46-N48 PolarHBondContact O-N 3.25Å; K46-N48 VanDerWaalsContact O-N 3.11Å; K46-N49 PolarHBondContact O-N 2.99Å; K46-Y50 HydrophobicContact CB-CE1 3.92Å; K46-Y50 HydrophobicContact CB-CE2 4.3Å; K46-Y50 WeakPolarHBondContact CB-OH 3.47Å; K46-Y50 WeakPolarHBondContact CD-OH 3.21Å; K46-Y50 HydrophobicContact CG-CE1 4.47Å; K46-Y50 HydrophobicContact CG-CE2 4Å; K46-Y50 VanDerWaalsContact CG-OH 3.31Å; K46-Y50 WeakPolarHBondContact CG-OH 3.02Å
47	S	91.4	Very high	96.2	Very high	99 Å²	99	65 Å²	65	69%	0.692	33%	0.329	S	S	*	.	G	3₁₀ helix	trans	-63.8	-16.4	179.7	58.5	0	0	0	0	114.1	S45	S45-S47 VanDerWaalsContact C-N 3.26Å; S45-S47 PolarHBondContact O-N 2.88Å; S45-S47 PolarHBondContact OG-OG 2.69Å; S45-S47 VanDerWaalsContact OG-OG 3.08Å
48	N	91.8	Very high	96.3	Very high	58 Å²	58	60.3 Å²	60.3	31%	0.31	30%	0.304	S	S	.	.	G	3₁₀ helix	trans	-110.9	29.3	177.9	-70.9	-88.2	0	0	0	111.4	R44 S45 K46 Y50 A51	R44-N48 HydrophobicContact CB-CB 3.59Å; R44-N48 HydrophobicContact CG-CB 4.25Å; S45-N48 PolarHBondContact O-N 2.89Å; S45-N48 PolarHBondContact OG-ND2 2.96Å; K46-N48 PolarHBondContact O-N 3.25Å; K46-N48 VanDerWaalsContact O-N 3.11Å; N48-Y50 PolarHBondContact O-N 3.09Å; N48-Y50 VanDerWaalsContact O-N 3.08Å; N48-A51 PolarHBondContact O-N 2.88Å; N48-A51 VanDerWaalsContact O-N 3.14Å
49	N	94.5	Very high	96.2	Very high	147 Å²	147	63 Å²	63	79%	0.786	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.9	32.2	176.5	-58.7	-32.7	0	0	0	113.9	K46 A51	K46-N49 PolarHBondContact O-N 2.99Å; N49-A51 PolarHBondContact O-N 2.86Å; N49-A51 VanDerWaalsContact O-N 3.08Å
50	Y	96.8	Very high	96.1	Very high	88 Å²	88	66.2 Å²	66.2	35%	0.345	34%	0.339	S	S	.	.	T	Hydrogen-bonded Turn	trans	55.2	28.7	179.8	-56.4	-69	0	0	0	114.3	S45 K46 N48 T52 R66 D68	S45-Y50 PolarHBondContact O-N 2.81Å; K46-Y50 HydrophobicContact CB-CE1 3.92Å; K46-Y50 HydrophobicContact CB-CE2 4.3Å; K46-Y50 WeakPolarHBondContact CB-OH 3.47Å; K46-Y50 WeakPolarHBondContact CD-OH 3.21Å; K46-Y50 HydrophobicContact CG-CE1 4.47Å; K46-Y50 HydrophobicContact CG-CE2 4Å; K46-Y50 VanDerWaalsContact CG-OH 3.31Å; K46-Y50 WeakPolarHBondContact CG-OH 3.02Å; N48-Y50 PolarHBondContact O-N 3.09Å; N48-Y50 VanDerWaalsContact O-N 3.08Å; Y50-T52 WeakPolarHBondContact O-CG2 3.47Å; Y50-T52 PolarHBondContact O-N 3.22Å; Y50-R66 HydrophobicContact CD1-CG 4.25Å; Y50-R66 HydrophobicContact CE1-CG 4.33Å; Y50-D68 WeakPolarHBondContact CE1-OD2 3.37Å; Y50-D68 PolarHBondContact OH-OD2 2.76Å
51	A	96.9	Very high	96.1	Very high	30 Å²	30	67.4 Å²	67.4	25%	0.248	34%	0.343	C	S	.	.			trans	-55	129.9	-178	0	0	0	0	0	111.5	R44 N48 N49 Y53	R44-A51 HydrophobicContact CG-CB 4.42Å; R44-A51 PolarHBondContact N-O 3.37Å; N48-A51 PolarHBondContact O-N 2.88Å; N48-A51 VanDerWaalsContact O-N 3.14Å; N49-A51 PolarHBondContact O-N 2.86Å; N49-A51 VanDerWaalsContact O-N 3.08Å; A51-Y53 HydrophobicContact CB-CE2 4.07Å
52	T	98.2	Very high	96.1	Very high	59 Å²	59	67.6 Å²	67.6	36%	0.362	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	148.4	-177.8	59.1	0	0	0	0	111.8	R42 I43 Y50 I64	R42-T52 CarbonylContact O-C 3.52Å; R42-T52 VanDerWaalsContact O-CA 3.24Å; R42-T52 WeakPolarHBondContact O-CA 3.37Å; I43-T52 HydrophobicContact CB-CG2 4.2Å; I43-T52 HydrophobicContact CD1-CG2 3.96Å; I43-T52 HydrophobicContact CG1-CG2 3.95Å; Y50-T52 WeakPolarHBondContact O-CG2 3.47Å; Y50-T52 PolarHBondContact O-N 3.22Å; T52-I64 HydrophobicContact CG2-CG2 3.71Å
53	Y	97.7	Very high	96.2	Very high	87 Å²	87	68.7 Å²	68.7	34%	0.341	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	146.4	177.9	-58	-92.7	0	0	0	108.7	A41 R42 R44 A51	A41-Y53 CarbonylContact C-O 3.59Å; A41-Y53 WeakPolarHBondContact CA-O 3.26Å; R42-Y53 PolarHBondContact N-O 3.3Å; R42-Y53 VanDerWaalsContact NH2-CD2 3.31Å; R42-Y53 PolarHBondContact O-N 2.69Å; R44-Y53 HydrophobicContact CG-CE2 4.22Å; R44-Y53 PolarHBondContact NH1-OH 2.99Å; A51-Y53 HydrophobicContact CB-CE2 4.07Å
54	Y	98.6	Very high	96.2	Very high	58 Å²	58	68.5 Å²	68.5	23%	0.227	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	146.8	-175.6	-58.8	-86.1	0	0	0	110.2	W39 A41 F62 I64	W39-Y54 VanDerWaalsContact CZ3-C 3.42Å; A41-Y54 HydrophobicContact CB-CD1 3.76Å; A41-Y54 HydrophobicContact CB-CE1 4.06Å; Y54-F62 WeakPolarHBondContact CE1-O 2.96Å; Y54-I64 HydrophobicContact CE1-CB 4.26Å; Y54-I64 HydrophobicContact CE1-CG2 3.85Å; Y54-I64 PolarHBondContact OH-N 2.85Å; Y54-I64 VanDerWaalsContact OH-N 3.12Å
55	A	98	Very high	96.4	Very high	15 Å²	15	67.2 Å²	67.2	12%	0.124	36%	0.358	C	S	.	.			trans	-69.9	147.1	167.9	0	0	0	0	0	110.1	W39 V40 S57 V58 K59	W39-A55 HydrophobicContact CE3-CB 3.96Å; W39-A55 HydrophobicContact CZ3-CB 4Å; W39-A55 VanDerWaalsContact CZ3-N 3.27Å; W39-A55 WeakPolarHBondContact O-CB 3.46Å; V40-A55 PolarHBondContact O-N 2.93Å; A55-S57 PolarHBondContact O-N 3.03Å; A55-S57 VanDerWaalsContact O-N 3.13Å; A55-V58 HydrophobicContact CB-CG2 4.25Å; A55-V58 WeakPolarHBondContact O-CG2 3.32Å; A55-V58 PolarHBondContact O-N 3.02Å; A55-K59 PolarHBondContact O-N 3.28Å
56	D	97.6	Very high	96.6	Very high	144 Å²	144	68.6 Å²	68.6	77%	0.77	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.9	-30	-177.5	-66.3	-34.5	0	0	0	112.8	V58	D56-V58 PolarHBondContact O-N 3.04Å
57	S	96	Very high	96.9	Very high	66 Å²	66	64.6 Å²	64.6	46%	0.462	35%	0.347	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.9	-20.5	178.1	56.3	0	0	0	0	114.4	A55 R61	A55-S57 PolarHBondContact O-N 3.03Å; A55-S57 VanDerWaalsContact O-N 3.13Å; S57-R61 PolarHBondContact O-NH2 3.1Å
58	V	97.5	Very high	97.1	Very high	0 Å²	0	61.7 Å²	61.7	0%	0	32%	0.324	C	S	.	.	T	Hydrogen-bonded Turn	trans	-123.9	-2.9	-175.9	-57.9	0	0	0	0	113.8	V40 A55 D56 R61 F62	V40-V58 HydrophobicContact CG1-CG1 4.26Å; V40-V58 HydrophobicContact CG1-CG2 3.96Å; V40-V58 WeakPolarHBondContact O-CG2 3.41Å; A55-V58 HydrophobicContact CB-CG2 4.25Å; A55-V58 WeakPolarHBondContact O-CG2 3.32Å; A55-V58 PolarHBondContact O-N 3.02Å; D56-V58 PolarHBondContact O-N 3.04Å; V58-R61 PolarHBondContact O-N 2.96Å; V58-R61 VanDerWaalsContact O-N 3.1Å; V58-F62 HydrophobicContact CB-CB 4.12Å; V58-F62 HydrophobicContact CB-CD1 4.33Å; V58-F62 HydrophobicContact CB-CD2 3.55Å; V58-F62 HydrophobicContact CB-CE2 3.93Å; V58-F62 HydrophobicContact CB-CG 3.76Å; V58-F62 HydrophobicContact CB-CZ 4.44Å; V58-F62 HydrophobicContact CG1-CD2 3.61Å; V58-F62 HydrophobicContact CG1-CE2 3.45Å; V58-F62 VanDerWaalsContact CG1-CE2 3.45Å; V58-F62 HydrophobicContact CG1-CG 4.24Å; V58-F62 HydrophobicContact CG1-CZ 3.95Å; V58-F62 HydrophobicContact CG2-CB 4.36Å; V58-F62 HydrophobicContact CG2-CD2 4.08Å; V58-F62 HydrophobicContact CG2-CG 4.41Å; V58-F62 PolarHBondContact O-N 2.81Å
59	K	95.6	Very high	97.3	Very high	116 Å²	116	63.9 Å²	63.9	50%	0.504	34%	0.344	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.4	141.7	177.9	-162.3	176	-176.8	-180	0	110.4	A55 R61	A55-K59 PolarHBondContact O-N 3.28Å; K59-R61 PolarHBondContact O-N 3.05Å
60	D	96.4	Very high	97.4	Very high	155 Å²	155	62.7 Å²	62.7	83%	0.829	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	64.4	-2.6	-177.3	-47.5	-42.9	0	0	0	115.9
61	R	98	Very high	97.4	Very high	25 Å²	25	60.2 Å²	60.2	9%	0.094	33%	0.329	C	S	.	.	T	Hydrogen-bonded Turn	trans	-109.2	-39.9	177.1	-60.1	-168.3	-57	115.4	-0.5	112	S57 V58 K59 N78 N79 D84	S57-R61 PolarHBondContact O-NH2 3.1Å; V58-R61 PolarHBondContact O-N 2.96Å; V58-R61 VanDerWaalsContact O-N 3.1Å; K59-R61 PolarHBondContact O-N 3.05Å; R61-N78 WeakPolarHBondContact CB-O 3.32Å; R61-N78 WeakPolarHBondContact O-CB 3.09Å; R61-N78 PolarHBondContact O-N 3.18Å; R61-N79 PolarHBondContact NH1-O 2.98Å; R61-D84 IonicContact CZ-OD1 2.65Å; R61-D84 IonicContact CZ-OD2 3.45Å; R61-D84 IonicContact NH1-OD1 3.44Å; R61-D84 IonicContact NH1-OD2 2.84Å; R61-D84 PolarHBondContact NH1-OD2 2.94Å; R61-D84 IonicContact NH2-OD1 3.4Å; R61-D84 PolarHBondContact NH2-OD1 3.38Å; R61-D84 IonicContact NH2-OD2 3.5Å; R61-D84 PolarHBondContact NH2-OD2 2.95Å
62	F	98.4	Very high	97.5	Very high	4 Å²	4	60.3 Å²	60.3	2%	0.018	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	144.6	-175.7	-66.1	9.8	0	0	0	110.6	V40 Y54 V58 L75 Q76 M77 L80 D84 Y88	V40-F62 HydrophobicContact CG1-CD2 3.89Å; V40-F62 HydrophobicContact CG1-CE2 4.25Å; Y54-F62 WeakPolarHBondContact CE1-O 2.96Å; V58-F62 HydrophobicContact CB-CB 4.12Å; V58-F62 HydrophobicContact CB-CD1 4.33Å; V58-F62 HydrophobicContact CB-CD2 3.55Å; V58-F62 HydrophobicContact CB-CE2 3.93Å; V58-F62 HydrophobicContact CB-CG 3.76Å; V58-F62 HydrophobicContact CB-CZ 4.44Å; V58-F62 HydrophobicContact CG1-CD2 3.61Å; V58-F62 HydrophobicContact CG1-CE2 3.45Å; V58-F62 VanDerWaalsContact CG1-CE2 3.45Å; V58-F62 HydrophobicContact CG1-CG 4.24Å; V58-F62 HydrophobicContact CG1-CZ 3.95Å; V58-F62 HydrophobicContact CG2-CB 4.36Å; V58-F62 HydrophobicContact CG2-CD2 4.08Å; V58-F62 HydrophobicContact CG2-CG 4.41Å; V58-F62 PolarHBondContact O-N 2.81Å; F62-L75 HydrophobicContact CB-CD1 4.22Å; F62-L75 HydrophobicContact CD2-CD2 4.1Å; F62-L75 HydrophobicContact CD2-CG 4.45Å; F62-Q76 CarbonylContact C-O 3.59Å; F62-Q76 VanDerWaalsContact CA-O 3.22Å; F62-Q76 WeakPolarHBondContact CA-O 3.48Å; F62-M77 HydrophobicContact CD1-CB 3.85Å; F62-M77 HydrophobicContact CD1-CG 4.23Å; F62-M77 HydrophobicContact CD2-CE 4.35Å; F62-M77 HydrophobicContact CD2-CG 4.12Å; F62-M77 HydrophobicContact CE1-CB 3.74Å; F62-M77 HydrophobicContact CE1-CE 4.3Å; F62-M77 HydrophobicContact CE1-CG 4.22Å; F62-M77 HydrophobicContact CE2-CB 4.49Å; F62-M77 HydrophobicContact CE2-CE 3.46Å; F62-M77 VanDerWaalsContact CE2-CE 3.46Å; F62-M77 HydrophobicContact CE2-CG 4.09Å; F62-M77 HydrophobicContact CG-CB 4.33Å; F62-M77 HydrophobicContact CG-CG 4.22Å; F62-M77 HydrophobicContact CZ-CB 4.1Å; F62-M77 HydrophobicContact CZ-CE 3.46Å; F62-M77 VanDerWaalsContact CZ-CE 3.46Å; F62-M77 HydrophobicContact CZ-CG 4.16Å; F62-L80 HydrophobicContact CE1-CD2 3.88Å; F62-L80 HydrophobicContact CZ-CD2 3.84Å; F62-D84 HydrophobicContact CZ-CB 4.26Å; F62-Y88 HydrophobicContact CE2-CE1 4.42Å
63	T	98.6	Very high	97.5	Very high	71 Å²	71	57.5 Å²	57.5	44%	0.436	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	119.1	177.1	-51.8	0	0	0	0	109.2	Q76	T63-Q76 PolarHBondContact N-O 3.36Å; T63-Q76 PolarHBondContact O-N 2.92Å
64	I	98.8	Very high	97.5	Very high	5 Å²	5	55.1 Å²	55.1	3%	0.026	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	137.7	174.5	-167.9	173.5	0	0	0	109.3	A41 I43 T52 Y54 L73 Y74 L75	A41-I64 HydrophobicContact CB-CB 4.05Å; A41-I64 HydrophobicContact CB-CD1 4.08Å; A41-I64 HydrophobicContact CB-CG2 4.18Å; I43-I64 HydrophobicContact CB-CD1 4.07Å; I43-I64 HydrophobicContact CB-CG1 4.22Å; I43-I64 HydrophobicContact CB-CG2 4.06Å; I43-I64 HydrophobicContact CG2-CD1 3.77Å; I43-I64 HydrophobicContact CG2-CG1 4.01Å; T52-I64 HydrophobicContact CG2-CG2 3.71Å; Y54-I64 HydrophobicContact CE1-CB 4.26Å; Y54-I64 HydrophobicContact CE1-CG2 3.85Å; Y54-I64 PolarHBondContact OH-N 2.85Å; Y54-I64 VanDerWaalsContact OH-N 3.12Å; I64-L73 HydrophobicContact CD1-CD1 4.07Å; I64-L73 HydrophobicContact CG1-CD1 4.08Å; I64-Y74 WeakPolarHBondContact CA-O 3.37Å; I64-Y74 WeakPolarHBondContact CG1-O 3.22Å; I64-L75 HydrophobicContact CB-CD1 4.13Å
65	S	98.5	Very high	97.5	Very high	48 Å²	48	52.3 Å²	52.3	34%	0.336	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.7	166.2	174.3	62.9	0	0	0	0	110.5	Y74	S65-Y74 PolarHBondContact N-O 2.78Å; S65-Y74 PolarHBondContact O-N 2.86Å
66	R	98.1	Very high	97.6	Very high	29 Å²	29	54.4 Å²	54.4	11%	0.109	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	151.2	-178.7	65.9	-171.2	-76.2	162.1	8	111.2	F21 Y24 I43 R44 Y50 D68 M72 L73	F21-R66 VanDerWaalsContact C-NH2 3.35Å; F21-R66 HydrophobicContact CE1-CB 4.13Å; F21-R66 VanDerWaalsContact CE1-NH2 3.3Å; F21-R66 HydrophobicContact CZ-CB 4.15Å; F21-R66 PolarHBondContact O-NH2 3.45Å; Y24-R66 PolarHBondContact O-NH1 2.91Å; I43-R66 HydrophobicContact CD1-CB 4.31Å; I43-R66 HydrophobicContact CD1-CG 3.71Å; I43-R66 HydrophobicContact CG1-CG 4.3Å; I43-R66 HydrophobicContact CG2-CB 4.39Å; I43-R66 HydrophobicContact CG2-CG 4.48Å; R44-R66 PolarHBondContact O-NH1 3.18Å; Y50-R66 HydrophobicContact CD1-CG 4.25Å; Y50-R66 HydrophobicContact CE1-CG 4.33Å; R66-D68 IonicContact CZ-OD1 2.91Å; R66-D68 IonicContact NE-OD1 3.88Å; R66-D68 PolarHBondContact NE-OD1 3.16Å; R66-D68 IonicContact NE-OD2 2.95Å; R66-D68 IonicContact NH2-OD1 3.3Å; R66-D68 PolarHBondContact NH2-OD1 2.9Å; R66-M72 CarbonylContact C-O 3.51Å; R66-M72 VanDerWaalsContact CA-O 3.25Å; R66-M72 WeakPolarHBondContact CA-O 3.4Å; R66-L73 HydrophobicContact CB-CD1 4.24Å
67	D	97.3	Very high	97.6	Very high	52 Å²	52	47.5 Å²	47.5	28%	0.278	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	110.8	168.4	-169.9	-33	0	0	0	108.6	S69 E70 S71 M72 Y74	D67-S69 VanDerWaalsContact C-N 3.32Å; D67-S69 WeakPolarHBondContact OD1-CA 3.38Å; D67-S69 WeakPolarHBondContact OD1-CB 3.41Å; D67-S69 PolarHBondContact OD1-N 2.77Å; D67-S69 PolarHBondContact OD1-OG 2.82Å; D67-E70 HydrophobicContact CB-CB 4.42Å; D67-E70 PolarHBondContact OD1-N 3.04Å; D67-S71 WeakPolarHBondContact O-CA 3.23Å; D67-S71 PolarHBondContact O-N 3.5Å; D67-M72 HydrophobicContact CB-CB 4.33Å; D67-M72 PolarHBondContact N-O 2.81Å; D67-M72 PolarHBondContact O-N 2.84Å; D67-Y74 HydrophobicContact CB-CE2 4.12Å
68	D	96.4	Very high	97.7	Very high	38 Å²	38	46.9 Å²	46.9	20%	0.203	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.8	-22	-178.7	-71	-26	0	0	0	112.8	F21 N22 Y50 R66	F21-D68 WeakPolarHBondContact CD1-OD1 3.39Å; F21-D68 WeakPolarHBondContact CE1-OD1 3.43Å; N22-D68 HydrophobicContact CB-CB 4.13Å; Y50-D68 WeakPolarHBondContact CE1-OD2 3.37Å; Y50-D68 PolarHBondContact OH-OD2 2.76Å; R66-D68 IonicContact CZ-OD1 2.91Å; R66-D68 IonicContact NE-OD1 3.88Å; R66-D68 PolarHBondContact NE-OD1 3.16Å; R66-D68 IonicContact NE-OD2 2.95Å; R66-D68 IonicContact NH2-OD1 3.3Å; R66-D68 PolarHBondContact NH2-OD1 2.9Å
69	S	95.4	Very high	97.7	Very high	104 Å²	104	51.5 Å²	51.5	73%	0.727	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.5	-33.5	178.4	71.9	0	0	0	0	111.8	D67	D67-S69 VanDerWaalsContact C-N 3.32Å; D67-S69 WeakPolarHBondContact OD1-CA 3.38Å; D67-S69 WeakPolarHBondContact OD1-CB 3.41Å; D67-S69 PolarHBondContact OD1-N 2.77Å; D67-S69 PolarHBondContact OD1-OG 2.82Å
70	E	96.6	Very high	97.8	Very high	122 Å²	122	46.1 Å²	46.1	57%	0.57	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.7	-3.8	178.3	-59.5	-171.4	162.7	0	0	113.3	D67 M72	D67-E70 HydrophobicContact CB-CB 4.42Å; D67-E70 PolarHBondContact OD1-N 3.04Å; E70-M72 VanDerWaalsContact C-N 3.27Å; E70-M72 HydrophobicContact CB-CB 4.28Å; E70-M72 HydrophobicContact CB-CG 3.63Å; E70-M72 PolarHBondContact O-N 2.82Å
71	S	97.1	Very high	97.8	Very high	36 Å²	36	43.5 Å²	43.5	25%	0.252	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.6	42.8	-171.5	-58.8	0	0	0	0	112.8	A16 D67	A16-S71 PolarHBondContact N-O 3.46Å; D67-S71 WeakPolarHBondContact O-CA 3.23Å; D67-S71 PolarHBondContact O-N 3.5Å
72	M	98.3	Very high	97.7	Very high	32 Å²	32	46.3 Å²	46.3	16%	0.158	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	134.7	-175.1	-68.8	-67.8	-73.5	0	0	111.9	C14 A15 F21 R66 D67 E70 Y74	C14-M72 WeakPolarHBondContact O-CA 3.25Å; A15-M72 WeakPolarHBondContact CA-SD 3.2Å; A15-M72 HydrophobicContact CB-SD 3.56Å; A15-M72 VanDerWaalsContact CB-SD 3.56Å; F21-M72 WeakPolarHBondContact CZ-O 3.32Å; R66-M72 CarbonylContact C-O 3.51Å; R66-M72 VanDerWaalsContact CA-O 3.25Å; R66-M72 WeakPolarHBondContact CA-O 3.4Å; D67-M72 HydrophobicContact CB-CB 4.33Å; D67-M72 PolarHBondContact N-O 2.81Å; D67-M72 PolarHBondContact O-N 2.84Å; E70-M72 VanDerWaalsContact C-N 3.27Å; E70-M72 HydrophobicContact CB-CB 4.28Å; E70-M72 HydrophobicContact CB-CG 3.63Å; E70-M72 PolarHBondContact O-N 2.82Å; M72-Y74 HydrophobicContact CB-CE1 4.26Å; M72-Y74 HydrophobicContact CB-CE2 3.63Å; M72-Y74 VanDerWaalsContact CB-CZ 3.48Å; M72-Y74 VanDerWaalsContact CB-OH 3.31Å; M72-Y74 WeakPolarHBondContact CB-OH 3.36Å; M72-Y74 HydrophobicContact CE-CE1 3.85Å
73	L	98.6	Very high	97.5	Very high	0 Å²	0	53.1 Å²	53.1	0%	0	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	137.2	169.8	-174.4	71.4	0	0	0	109.9	S13 C14 F21 M26 W28 I43 I64 R66 C90	S13-L73 CarbonylContact C-O 3.45Å; S13-L73 VanDerWaalsContact CA-O 3.31Å; S13-L73 WeakPolarHBondContact CA-O 3.22Å; C14-L73 HydrophobicContact CB-CB 4.29Å; C14-L73 PolarHBondContact N-O 2.86Å; C14-L73 PolarHBondContact O-N 2.92Å; F21-L73 HydrophobicContact CE2-CB 4.46Å; F21-L73 HydrophobicContact CZ-CB 4.26Å; M26-L73 HydrophobicContact CB-CD1 3.63Å; M26-L73 HydrophobicContact CB-CD2 3.88Å; M26-L73 HydrophobicContact CB-CG 4.3Å; M26-L73 HydrophobicContact CG-CD1 4.47Å; W28-L73 HydrophobicContact CZ2-CD2 4.38Å; I43-L73 HydrophobicContact CG2-CD1 3.57Å; I64-L73 HydrophobicContact CD1-CD1 4.07Å; I64-L73 HydrophobicContact CG1-CD1 4.08Å; R66-L73 HydrophobicContact CB-CD1 4.24Å; L73-C90 HydrophobicContact CD2-CB 3.86Å
74	Y	98.6	Very high	97.5	Very high	37 Å²	37	49.9 Å²	49.9	15%	0.145	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	148.5	-179.4	-56.4	-73.8	0	0	0	111.9	K11 L12 I64 S65 D67 M72	K11-Y74 VanDerWaalsContact CE-CD1 3.47Å; L12-Y74 CarbonylContact O-C 3.53Å; L12-Y74 VanDerWaalsContact O-CA 3.25Å; L12-Y74 WeakPolarHBondContact O-CA 3.46Å; I64-Y74 WeakPolarHBondContact CA-O 3.37Å; I64-Y74 WeakPolarHBondContact CG1-O 3.22Å; S65-Y74 PolarHBondContact N-O 2.78Å; S65-Y74 PolarHBondContact O-N 2.86Å; D67-Y74 HydrophobicContact CB-CE2 4.12Å; M72-Y74 HydrophobicContact CB-CE1 4.26Å; M72-Y74 HydrophobicContact CB-CE2 3.63Å; M72-Y74 VanDerWaalsContact CB-CZ 3.48Å; M72-Y74 VanDerWaalsContact CB-OH 3.31Å; M72-Y74 WeakPolarHBondContact CB-OH 3.36Å; M72-Y74 HydrophobicContact CE-CE1 3.85Å
75	L	98.8	Very high	97.5	Very high	0 Å²	0	51.5 Å²	51.5	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	105.5	167.7	-170.1	67.8	0	0	0	108.7	K11 L12 W28 V40 A41 F62 I64 M77 Y88	K11-L75 WeakPolarHBondContact CA-O 3.47Å; L12-L75 HydrophobicContact CB-CB 4.26Å; L12-L75 PolarHBondContact N-O 3.09Å; L12-L75 PolarHBondContact O-N 2.81Å; W28-L75 HydrophobicContact CB-CD2 4.18Å; W28-L75 HydrophobicContact CD2-CB 4.21Å; W28-L75 HydrophobicContact CD2-CD2 4.24Å; W28-L75 HydrophobicContact CG-CB 4.21Å; W28-L75 HydrophobicContact CG-CD1 4.47Å; W28-L75 HydrophobicContact CG-CD2 3.95Å; W28-L75 HydrophobicContact CG-CG 4.45Å; W28-L75 HydrophobicContact CZ2-CB 4.36Å; V40-L75 HydrophobicContact CG1-CD2 4.25Å; A41-L75 HydrophobicContact CB-CD1 4.25Å; F62-L75 HydrophobicContact CB-CD1 4.22Å; F62-L75 HydrophobicContact CD2-CD2 4.1Å; F62-L75 HydrophobicContact CD2-CG 4.45Å; I64-L75 HydrophobicContact CB-CD1 4.13Å; L75-M77 HydrophobicContact CD2-CG 3.92Å; L75-M77 HydrophobicContact CD2-SD 4.23Å; L75-M77 HydrophobicContact CG-CG 3.87Å; L75-Y88 HydrophobicContact CD2-CD1 4.34Å; L75-Y88 HydrophobicContact CD2-CE1 4.48Å
76	Q	98.6	Very high	97.4	Very high	58 Å²	58	49.4 Å²	49.4	27%	0.271	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	121.7	167.4	-177.9	62	38.5	0	0	108	F62 T63 N78	F62-Q76 CarbonylContact C-O 3.59Å; F62-Q76 VanDerWaalsContact CA-O 3.22Å; F62-Q76 WeakPolarHBondContact CA-O 3.48Å; T63-Q76 PolarHBondContact N-O 3.36Å; T63-Q76 PolarHBondContact O-N 2.92Å; Q76-N78 PolarHBondContact NE2-OD1 2.94Å
77	M	98.4	Very high	97.5	Very high	0 Å²	0	50.9 Å²	50.9	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	106.1	-178.7	-54.3	168	81.1	0	0	107.7	S9 L10 L12 F62 L75 L80 Y88 V109	S9-M77 CarbonylContact C-O 3.54Å; S9-M77 WeakPolarHBondContact CA-O 3.24Å; S9-M77 WeakPolarHBondContact CB-O 3.15Å; L10-M77 PolarHBondContact N-O 2.81Å; L10-M77 WeakPolarHBondContact O-CB 3.15Å; L10-M77 PolarHBondContact O-N 2.91Å; L12-M77 HydrophobicContact CD1-SD 3.76Å; L12-M77 HydrophobicContact CG-SD 3.81Å; F62-M77 HydrophobicContact CD1-CB 3.85Å; F62-M77 HydrophobicContact CD1-CG 4.23Å; F62-M77 HydrophobicContact CD2-CE 4.35Å; F62-M77 HydrophobicContact CD2-CG 4.12Å; F62-M77 HydrophobicContact CE1-CB 3.74Å; F62-M77 HydrophobicContact CE1-CE 4.3Å; F62-M77 HydrophobicContact CE1-CG 4.22Å; F62-M77 HydrophobicContact CE2-CB 4.49Å; F62-M77 HydrophobicContact CE2-CE 3.46Å; F62-M77 VanDerWaalsContact CE2-CE 3.46Å; F62-M77 HydrophobicContact CE2-CG 4.09Å; F62-M77 HydrophobicContact CG-CB 4.33Å; F62-M77 HydrophobicContact CG-CG 4.22Å; F62-M77 HydrophobicContact CZ-CB 4.1Å; F62-M77 HydrophobicContact CZ-CE 3.46Å; F62-M77 VanDerWaalsContact CZ-CE 3.46Å; F62-M77 HydrophobicContact CZ-CG 4.16Å; L75-M77 HydrophobicContact CD2-CG 3.92Å; L75-M77 HydrophobicContact CD2-SD 4.23Å; L75-M77 HydrophobicContact CG-CG 3.87Å; M77-L80 HydrophobicContact CB-CD1 4.32Å; M77-L80 HydrophobicContact CB-CD2 3.9Å; M77-L80 HydrophobicContact CB-CG 4.21Å; M77-L80 HydrophobicContact CE-CD2 3.74Å; M77-Y88 HydrophobicContact CE-CD1 4.33Å; M77-Y88 HydrophobicContact CE-CE1 3.59Å; M77-Y88 HydrophobicContact CE-CE2 3.95Å; M77-Y88 WeakPolarHBondContact CE-OH 3.27Å; M77-V109 HydrophobicContact CE-CG1 4.49Å; M77-V109 HydrophobicContact SD-CG2 4.49Å
78	N	97.9	Very high	97.5	Very high	53 Å²	53	48.4 Å²	48.4	28%	0.283	26%	0.255	S	S	.	.			trans	-104	160.6	176.9	-56.3	-48.5	0	0	0	110.6	S9 R61 Q76 L80	S9-N78 PolarHBondContact OG-OD1 3.25Å; S9-N78 VanDerWaalsContact OG-OD1 3.11Å; R61-N78 WeakPolarHBondContact CB-O 3.32Å; R61-N78 WeakPolarHBondContact O-CB 3.09Å; R61-N78 PolarHBondContact O-N 3.18Å; Q76-N78 PolarHBondContact NE2-OD1 2.94Å; N78-L80 VanDerWaalsContact C-N 3.29Å; N78-L80 PolarHBondContact O-N 2.65Å
79	N	97.1	Very high	97.6	Very high	97 Å²	97	48.7 Å²	48.7	52%	0.519	25%	0.254	S	S	.	.	S	Bend	trans	49.5	51.3	176.2	-65.6	-25.5	0	0	0	111.9	G8 R61	G8-N79 PolarHBondContact O-N 3.33Å; R61-N79 PolarHBondContact NH1-O 2.98Å
80	L	97.3	Very high	97.7	Very high	2 Å²	2	44.4 Å²	44.4	1%	0.01	22%	0.224	C	C	.	.			trans	-62.7	140.8	-176.9	-80.2	168.2	0	0	0	111.9	V4 P6 K7 G8 L10 F62 M77 N78 D84 V111	V4-L80 HydrophobicContact CB-CD1 4.43Å; V4-L80 HydrophobicContact CG2-CD1 3.41Å; V4-L80 VanDerWaalsContact CG2-CD1 3.41Å; P6-L80 CarbonylContact C-O 3.6Å; P6-L80 WeakPolarHBondContact CA-O 3.39Å; K7-L80 PolarHBondContact N-O 3.4Å; G8-L80 PolarHBondContact O-N 3.11Å; L10-L80 HydrophobicContact CB-CD1 3.98Å; F62-L80 HydrophobicContact CE1-CD2 3.88Å; F62-L80 HydrophobicContact CZ-CD2 3.84Å; M77-L80 HydrophobicContact CB-CD1 4.32Å; M77-L80 HydrophobicContact CB-CD2 3.9Å; M77-L80 HydrophobicContact CB-CG 4.21Å; M77-L80 HydrophobicContact CE-CD2 3.74Å; N78-L80 VanDerWaalsContact C-N 3.29Å; N78-L80 PolarHBondContact O-N 2.65Å; L80-D84 HydrophobicContact CD2-CB 3.77Å; L80-V111 HydrophobicContact CB-CG1 4.25Å; L80-V111 HydrophobicContact CB-CG2 4.07Å; L80-V111 HydrophobicContact CD1-CG2 4.45Å; L80-V111 HydrophobicContact CD2-CG2 4.33Å
81	K	96.9	Very high	97.7	Very high	100 Å²	100	38.6 Å²	38.6	44%	0.435	20%	0.197	S	C	.	.			trans	-111.9	157.7	176.6	-59.5	177.9	-178.5	-179.5	0	109.4	E83 D84 V111	K81-E83 PolarHBondContact O-N 3.45Å; K81-D84 PolarHBondContact N-OD2 2.81Å; K81-D84 WeakPolarHBondContact O-CB 3.22Å; K81-D84 PolarHBondContact O-N 2.84Å; K81-V111 WeakPolarHBondContact O-CB 3.35Å; K81-V111 WeakPolarHBondContact O-CG1 3.02Å; K81-V111 WeakPolarHBondContact O-CG2 3Å
82	T	95.9	Very high	97.7	Very high	85 Å²	85	38.7 Å²	38.7	52%	0.521	19%	0.191	S	C	.	.	G	3₁₀ helix	trans	-54.7	-36.6	174.4	47.7	0	0	0	0	112	P6 D84 T85	P6-T82 HydrophobicContact CG-CG2 4.2Å; T82-D84 PolarHBondContact O-N 2.82Å; T82-T85 VanDerWaalsContact O-CB 3.25Å; T82-T85 WeakPolarHBondContact O-CB 3.31Å; T82-T85 PolarHBondContact O-N 2.8Å; T82-T85 VanDerWaalsContact O-N 3.07Å; T82-T85 PolarHBondContact O-OG1 2.89Å
83	E	95.5	Very high	97.3	Very high	147 Å²	147	38.4 Å²	38.4	69%	0.687	19%	0.19	S	C	*	.	G	3₁₀ helix	trans	-61.3	-18.3	174.3	-62.7	169.9	-136.7	0	0	114.6	K81 T85	K81-E83 PolarHBondContact O-N 3.45Å; E83-T85 PolarHBondContact O-N 2.97Å
84	D	97.4	Very high	96.5	Very high	3 Å²	3	40 Å²	40	2%	0.016	20%	0.199	C	C	.	.	G	3₁₀ helix	trans	-81.5	-1.6	176	-60.7	-48	0	0	0	112.6	R30 R61 F62 L80 K81 T82 A86 Y88 V111	R30-D84 IonicContact NH1-OD1 2.69Å; R30-D84 PolarHBondContact NH1-OD1 2.02Å; R61-D84 IonicContact CZ-OD1 2.65Å; R61-D84 IonicContact CZ-OD2 3.45Å; R61-D84 IonicContact NH1-OD1 3.44Å; R61-D84 IonicContact NH1-OD2 2.84Å; R61-D84 PolarHBondContact NH1-OD2 2.94Å; R61-D84 IonicContact NH2-OD1 3.4Å; R61-D84 PolarHBondContact NH2-OD1 3.38Å; R61-D84 IonicContact NH2-OD2 3.5Å; R61-D84 PolarHBondContact NH2-OD2 2.95Å; F62-D84 HydrophobicContact CZ-CB 4.26Å; L80-D84 HydrophobicContact CD2-CB 3.77Å; K81-D84 PolarHBondContact N-OD2 2.81Å; K81-D84 WeakPolarHBondContact O-CB 3.22Å; K81-D84 PolarHBondContact O-N 2.84Å; T82-D84 PolarHBondContact O-N 2.82Å; D84-A86 PolarHBondContact O-N 3.06Å; D84-Y88 VanDerWaalsContact O-CE2 3.26Å; D84-Y88 WeakPolarHBondContact O-CE2 3.48Å; D84-Y88 PolarHBondContact O-OH 2.87Å; D84-V111 HydrophobicContact CB-CG2 4.45Å
85	T	98.1	Very high	95.2	Very high	39 Å²	39	42.4 Å²	42.4	24%	0.239	21%	0.213	C	C	.	.			trans	-64.6	112.3	173.8	-62.6	0	0	0	0	110.6	T82 E83 V109 T110 V111	T82-T85 VanDerWaalsContact O-CB 3.25Å; T82-T85 WeakPolarHBondContact O-CB 3.31Å; T82-T85 PolarHBondContact O-N 2.8Å; T82-T85 VanDerWaalsContact O-N 3.07Å; T82-T85 PolarHBondContact O-OG1 2.89Å; E83-T85 PolarHBondContact O-N 2.97Å; T85-V109 VanDerWaalsContact CA-O 3.31Å; T85-V109 WeakPolarHBondContact CA-O 3.42Å; T85-T110 HydrophobicContact CG2-CG2 4.43Å; T85-V111 PolarHBondContact OG1-N 2.91Å; T85-V111 PolarHBondContact OG1-O 2.89Å
86	A	98.2	Very high	93.8	Very high	4 Å²	4	45.9 Å²	45.9	3%	0.033	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-165.5	167.7	-176.9	0	0	0	0	0	111.2	R30 Q31 A32 D84 Y88 V109	R30-A86 HydrophobicContact CB-CB 3.9Å; R30-A86 HydrophobicContact CG-CB 4.21Å; Q31-A86 WeakPolarHBondContact O-CA 3.37Å; Q31-A86 WeakPolarHBondContact O-CB 3.37Å; A32-A86 HydrophobicContact CB-CB 4.34Å; D84-A86 PolarHBondContact O-N 3.06Å; A86-Y88 HydrophobicContact CB-CD2 4.23Å; A86-Y88 HydrophobicContact CB-CE2 3.74Å; A86-Y88 WeakPolarHBondContact O-CD2 3.25Å; A86-V109 PolarHBondContact N-O 2.84Å; A86-V109 VanDerWaalsContact N-O 3.08Å; A86-V109 PolarHBondContact O-N 3.08Å
87	M	98.4	Very high	92.4	Very high	59 Å²	59	51.6 Å²	51.6	29%	0.291	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	127.1	159.6	-169.4	68.7	70.7	0	0	108.9	R30 Q31 Y89 T107 T108	R30-M87 CarbonylContact C-O 3.44Å; R30-M87 WeakPolarHBondContact CA-O 3.43Å; Q31-M87 PolarHBondContact N-O 2.91Å; Q31-M87 PolarHBondContact O-N 2.95Å; M87-Y89 HydrophobicContact CB-CE2 3.85Å; M87-Y89 HydrophobicContact CG-CD2 4.42Å; M87-Y89 HydrophobicContact CG-CE1 3.81Å; M87-Y89 HydrophobicContact CG-CE2 3.62Å; M87-Y89 VanDerWaalsContact CG-OH 3.23Å; M87-Y89 WeakPolarHBondContact CG-OH 3.46Å; M87-T107 PolarHBondContact SD-N 3.14Å; M87-T107 VanDerWaalsContact SD-N 3.35Å; M87-T108 WeakPolarHBondContact CE-OG1 3.47Å; M87-T108 PolarHBondContact SD-N 3.27Å; M87-T108 VanDerWaalsContact SD-N 3.36Å
88	Y	98.6	Very high	91.2	Very high	1 Å²	1	53.9 Å²	53.9	0%	0.004	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	130.9	179.9	-74.5	-101.9	0	0	0	110.8	L12 V29 R30 V40 F62 L75 M77 D84 A86 G106 T107 V109	L12-Y88 HydrophobicContact CD1-CD1 4.09Å; L12-Y88 HydrophobicContact CD1-CD2 4.38Å; L12-Y88 HydrophobicContact CD1-CG 3.79Å; V29-Y88 CarbonylContact O-C 3.49Å; V29-Y88 WeakPolarHBondContact O-CA 3.42Å; R30-Y88 HydrophobicContact CB-CD1 3.78Å; R30-Y88 HydrophobicContact CB-CD2 4.39Å; R30-Y88 HydrophobicContact CB-CE1 3.72Å; R30-Y88 HydrophobicContact CB-CE2 4.32Å; R30-Y88 HydrophobicContact CB-CG 4.12Å; R30-Y88 WeakPolarHBondContact CD-OH 3.38Å; R30-Y88 HydrophobicContact CG-CE1 4.35Å; R30-Y88 PolarHBondContact NH1-OH 2.9Å; V40-Y88 HydrophobicContact CG2-CE1 4.24Å; F62-Y88 HydrophobicContact CE2-CE1 4.42Å; L75-Y88 HydrophobicContact CD2-CD1 4.34Å; L75-Y88 HydrophobicContact CD2-CE1 4.48Å; M77-Y88 HydrophobicContact CE-CD1 4.33Å; M77-Y88 HydrophobicContact CE-CE1 3.59Å; M77-Y88 HydrophobicContact CE-CE2 3.95Å; M77-Y88 WeakPolarHBondContact CE-OH 3.27Å; D84-Y88 VanDerWaalsContact O-CE2 3.26Å; D84-Y88 WeakPolarHBondContact O-CE2 3.48Å; D84-Y88 PolarHBondContact O-OH 2.87Å; A86-Y88 HydrophobicContact CB-CD2 4.23Å; A86-Y88 HydrophobicContact CB-CE2 3.74Å; A86-Y88 WeakPolarHBondContact O-CD2 3.25Å; Y88-G106 CarbonylContact O-C 3.52Å; Y88-G106 WeakPolarHBondContact O-CA 3.44Å; Y88-T107 PolarHBondContact N-O 3.12Å; Y88-T107 PolarHBondContact O-N 3.41Å; Y88-V109 HydrophobicContact CD2-CB 3.88Å; Y88-V109 HydrophobicContact CD2-CG2 3.66Å; Y88-V109 HydrophobicContact CE2-CB 3.76Å; Y88-V109 HydrophobicContact CE2-CG1 4.49Å; Y88-V109 HydrophobicContact CE2-CG2 3.95Å; Y88-V109 HydrophobicContact CG-CG2 4.46Å
89	Y	98.5	Very high	90.5	Very high	44 Å²	44	56.7 Å²	56.7	17%	0.173	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	132	-177.8	-53.3	-89.7	0	0	0	109.7	W28 V29 Q31 L37 M87 W103	W28-Y89 WeakPolarHBondContact CA-O 3.28Å; W28-Y89 VanDerWaalsContact CE3-C 3.49Å; V29-Y89 PolarHBondContact N-O 3.27Å; V29-Y89 PolarHBondContact O-N 2.84Å; Q31-Y89 HydrophobicContact CB-CE2 4.03Å; L37-Y89 HydrophobicContact CD2-CD2 4.35Å; L37-Y89 HydrophobicContact CD2-CE2 4.25Å; M87-Y89 HydrophobicContact CB-CE2 3.85Å; M87-Y89 HydrophobicContact CG-CD2 4.42Å; M87-Y89 HydrophobicContact CG-CE1 3.81Å; M87-Y89 HydrophobicContact CG-CE2 3.62Å; M87-Y89 VanDerWaalsContact CG-OH 3.23Å; M87-Y89 WeakPolarHBondContact CG-OH 3.46Å; Y89-W103 HydrophobicContact CG-CE3 4.29Å; Y89-W103 HydrophobicContact CG-CZ3 4.48Å
90	C	97.6	Very high	90.3	Very high	14 Å²	14	55.4 Å²	55.4	10%	0.095	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	142.2	163.4	56	0	0	0	0	109.6	C14 N27 W28 L73 G104	C14-C90 HydrophobicContact CB-CB 3.41Å; C14-C90 VanDerWaalsContact CB-CB 3.41Å; C14-C90 WeakPolarHBondContact CB-SG 3.46Å; C14-C90 WeakPolarHBondContact SG-CB 3.44Å; C14-C90 CovalentContact SG-SG 2.02Å; C14-C90 PolarHBondContact SG-SG 2.94Å; N27-C90 CarbonylContact O-C 3.55Å; N27-C90 WeakPolarHBondContact O-CA 3.47Å; W28-C90 HydrophobicContact CD2-CB 4.46Å; W28-C90 HydrophobicContact CE3-CB 4.33Å; W28-C90 HydrophobicContact CH2-CB 4.14Å; W28-C90 HydrophobicContact CZ2-CB 4.26Å; W28-C90 HydrophobicContact CZ3-CB 4.17Å; L73-C90 HydrophobicContact CD2-CB 3.86Å; C90-G104 PolarHBondContact O-N 3.08Å
91	V	96.9	Very high	89.9	Confident	0 Å²	0	57.9 Å²	57.9	0%	0	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	133.6	-171	-162.8	0	0	0	0	111.3	N27 V29 F100 V102 W103	N27-V91 HydrophobicContact CB-CB 4.41Å; N27-V91 PolarHBondContact N-O 2.74Å; N27-V91 PolarHBondContact O-N 2.73Å; V29-V91 HydrophobicContact CB-CG2 4.14Å; V29-V91 HydrophobicContact CG2-CG2 3.8Å; V91-F100 HydrophobicContact CG1-CB 3.57Å; V91-F100 HydrophobicContact CG1-CD1 4.23Å; V91-F100 HydrophobicContact CG1-CD2 4.26Å; V91-F100 HydrophobicContact CG1-CG 3.77Å; V91-V102 CarbonylContact C-O 3.45Å; V91-V102 VanDerWaalsContact CA-O 3.32Å; V91-V102 WeakPolarHBondContact CA-O 3.28Å; V91-V102 WeakPolarHBondContact CG1-O 3.32Å; V91-W103 HydrophobicContact CB-CD2 4.37Å; V91-W103 HydrophobicContact CB-CE3 4.42Å; V91-W103 HydrophobicContact CG1-CD2 3.67Å; V91-W103 HydrophobicContact CG1-CE3 4.17Å; V91-W103 HydrophobicContact CG1-CG 4Å; V91-W103 HydrophobicContact CG1-CH2 4.37Å; V91-W103 HydrophobicContact CG1-CZ2 3.92Å; V91-W103 HydrophobicContact CG1-CZ3 4.49Å; V91-W103 HydrophobicContact CG2-CD2 3.73Å; V91-W103 HydrophobicContact CG2-CE3 3.34Å; V91-W103 HydrophobicContact CG2-CG 4.47Å; V91-W103 HydrophobicContact CG2-CH2 3.97Å; V91-W103 HydrophobicContact CG2-CZ2 4.32Å; V91-W103 HydrophobicContact CG2-CZ3 3.47Å; V91-W103 VanDerWaalsContact CG2-CZ3 3.47Å
92	R	95.7	Very high	89.7	Confident	37 Å²	37	55.7 Å²	55.7	14%	0.14	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	140	170.3	-173	-178.7	75.7	-176.3	8.5	110.3	F19 Y24 M26 F100 D101 V102	F19-R92 VanDerWaalsContact CB-NH1 3.31Å; F19-R92 HydrophobicContact CE2-CG 4.06Å; F19-R92 HydrophobicContact CZ-CB 4.26Å; F19-R92 HydrophobicContact CZ-CG 4.26Å; Y24-R92 HydrophobicContact CD1-CG 3.94Å; Y24-R92 HydrophobicContact CG-CG 3.86Å; M26-R92 HydrophobicContact CE-CB 4.42Å; M26-R92 HydrophobicContact SD-CB 4.14Å; M26-R92 HydrophobicContact SD-CG 4.25Å; R92-F100 WeakPolarHBondContact O-CA 3.31Å; R92-D101 IonicContact CZ-OD1 2.76Å; R92-D101 IonicContact CZ-OD2 2.74Å; R92-D101 IonicContact NE-OD1 3.99Å; R92-D101 PolarHBondContact NE-OD1 2.76Å; R92-D101 IonicContact NE-OD2 3.15Å; R92-D101 PolarHBondContact NE-OD2 3.07Å; R92-D101 IonicContact NH2-OD1 3.65Å; R92-D101 PolarHBondContact NH2-OD1 2.8Å; R92-D101 IonicContact NH2-OD2 3.05Å; R92-D101 PolarHBondContact NH2-OD2 3.27Å; R92-D101 PolarHBondContact O-N 3.02Å; R92-V102 HydrophobicContact CB-CB 3.89Å; R92-V102 HydrophobicContact CB-CG2 4.49Å; R92-V102 PolarHBondContact N-O 3.11Å
93	Q	91.3	Very high	89.7	Confident	26 Å²	26	56.5 Å²	56.5	12%	0.121	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	121.3	167.1	180	173	21	0	0	110.2	A25 N27 L95 G98 F100	A25-Q93 HydrophobicContact CB-CB 4.3Å; A25-Q93 PolarHBondContact O-N 3.17Å; N27-Q93 WeakPolarHBondContact ND2-CB 3.4Å; Q93-L95 PolarHBondContact O-N 2.82Å; Q93-G98 PolarHBondContact NE2-O 3.27Å; Q93-F100 HydrophobicContact CB-CD1 4Å; Q93-F100 HydrophobicContact CB-CE1 4.03Å; Q93-F100 HydrophobicContact CG-CD1 4.31Å; Q93-F100 HydrophobicContact CG-CE1 4.24Å
94	D	81.8	Confident	89.8	Confident	35 Å²	35	50.7 Å²	50.7	19%	0.187	27%	0.27	C	S	.	.			trans	-74.5	114.9	169.5	-174.4	-21.1	0	0	0	109.1	G96 R97 G98 Y99	D94-G96 VanDerWaalsContact C-N 3.3Å; D94-G96 PolarHBondContact O-N 3.1Å; D94-G96 PolarHBondContact OD1-N 3.1Å; D94-R97 PolarHBondContact O-N 3.28Å; D94-G98 WeakPolarHBondContact O-CA 3.39Å; D94-G98 PolarHBondContact O-N 3.27Å; D94-Y99 PolarHBondContact N-O 3.38Å
95	L	70	Confident	89.7	Confident	87 Å²	87	57.6 Å²	57.6	46%	0.455	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.6	-23.8	-178.4	-64.7	176.8	0	0	0	112.9	A25 Q93	A25-L95 HydrophobicContact CB-CD2 4.13Å; Q93-L95 PolarHBondContact O-N 2.82Å
96	G	70.7	Confident	89.6	Confident	72 Å²	72	56.9 Å²	56.9	74%	0.742	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75	-25.1	179	0	0	0	0	0	113.2	D94	D94-G96 VanDerWaalsContact C-N 3.3Å; D94-G96 PolarHBondContact O-N 3.1Å; D94-G96 PolarHBondContact OD1-N 3.1Å
97	R	68.8	Low	89.6	Confident	179 Å²	179	58.7 Å²	58.7	68%	0.675	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-126.6	-8.8	-175.9	-55.7	-176.3	-176.6	-136	6.3	115.2	D94 Y99	D94-R97 PolarHBondContact O-N 3.28Å; R97-Y99 VanDerWaalsContact C-N 3.3Å; R97-Y99 HydrophobicContact CB-CD1 3.55Å; R97-Y99 HydrophobicContact CB-CE1 3.19Å; R97-Y99 VanDerWaalsContact CD-CZ 3.47Å; R97-Y99 WeakPolarHBondContact CD-OH 3.25Å; R97-Y99 HydrophobicContact CG-CE1 3.95Å; R97-Y99 PolarHBondContact O-N 3.08Å
98	G	73.5	Confident	89.5	Confident	47 Å²	47	59.2 Å²	59.2	49%	0.485	33%	0.33	S	S	.	.			trans	78.8	-1.5	171.1	0	0	0	0	0	116.3	Q93 D94	Q93-G98 PolarHBondContact NE2-O 3.27Å; D94-G98 WeakPolarHBondContact O-CA 3.39Å; D94-G98 PolarHBondContact O-N 3.27Å
99	Y	82.3	Confident	89.5	Confident	113 Å²	113	59.1 Å²	59.1	44%	0.443	33%	0.33	S	S	.	.	S	Bend	trans	-104.2	167.1	-178.4	59.1	-105.3	0	0	0	113.9	D94 R97 D101	D94-Y99 PolarHBondContact N-O 3.38Å; R97-Y99 VanDerWaalsContact C-N 3.3Å; R97-Y99 HydrophobicContact CB-CD1 3.55Å; R97-Y99 HydrophobicContact CB-CE1 3.19Å; R97-Y99 VanDerWaalsContact CD-CZ 3.47Å; R97-Y99 WeakPolarHBondContact CD-OH 3.25Å; R97-Y99 HydrophobicContact CG-CE1 3.95Å; R97-Y99 PolarHBondContact O-N 3.08Å; Y99-D101 HydrophobicContact CD2-CB 4.1Å; Y99-D101 HydrophobicContact CE2-CB 3.96Å
100	F	92.1	Very high	89.5	Confident	69 Å²	69	59.5 Å²	59.5	30%	0.303	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	125.1	176.9	-66.5	-21	0	0	0	110.9	N27 V29 W39 V91 R92 Q93 W103	N27-F100 HydrophobicContact CB-CE1 4.4Å; N27-F100 HydrophobicContact CB-CZ 4.44Å; V29-F100 HydrophobicContact CG2-CD2 4.42Å; V29-F100 HydrophobicContact CG2-CE2 3.97Å; W39-F100 AromaticContact CD1-CZ 3.95Å; V91-F100 HydrophobicContact CG1-CB 3.57Å; V91-F100 HydrophobicContact CG1-CD1 4.23Å; V91-F100 HydrophobicContact CG1-CD2 4.26Å; V91-F100 HydrophobicContact CG1-CG 3.77Å; R92-F100 WeakPolarHBondContact O-CA 3.31Å; Q93-F100 HydrophobicContact CB-CD1 4Å; Q93-F100 HydrophobicContact CB-CE1 4.03Å; Q93-F100 HydrophobicContact CG-CD1 4.31Å; Q93-F100 HydrophobicContact CG-CE1 4.24Å; F100-W103 HydrophobicContact CB-CZ2 3.77Å; F100-W103 HydrophobicContact CD2-CH2 4.15Å; F100-W103 AromaticContact CD2-CZ2 3.82Å; F100-W103 HydrophobicContact CD2-CZ2 3.82Å; F100-W103 HydrophobicContact CG-CZ2 4.25Å
101	D	89.8	Confident	89.4	Confident	54 Å²	54	59.1 Å²	59.1	29%	0.289	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	-30.8	-169.1	61.2	-5.3	0	0	0	115.3	R92 Y99	R92-D101 IonicContact CZ-OD1 2.76Å; R92-D101 IonicContact CZ-OD2 2.74Å; R92-D101 IonicContact NE-OD1 3.99Å; R92-D101 PolarHBondContact NE-OD1 2.76Å; R92-D101 IonicContact NE-OD2 3.15Å; R92-D101 PolarHBondContact NE-OD2 3.07Å; R92-D101 IonicContact NH2-OD1 3.65Å; R92-D101 PolarHBondContact NH2-OD1 2.8Å; R92-D101 IonicContact NH2-OD2 3.05Å; R92-D101 PolarHBondContact NH2-OD2 3.27Å; R92-D101 PolarHBondContact O-N 3.02Å; Y99-D101 HydrophobicContact CD2-CB 4.1Å; Y99-D101 HydrophobicContact CE2-CB 3.96Å
102	V	93.5	Very high	89.2	Confident	55 Å²	55	61.6 Å²	61.6	33%	0.333	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	118.1	174.6	-177.1	0	0	0	0	109.7	F19 V91 R92	F19-V102 HydrophobicContact CE1-CG1 4.21Å; V91-V102 CarbonylContact C-O 3.45Å; V91-V102 VanDerWaalsContact CA-O 3.32Å; V91-V102 WeakPolarHBondContact CA-O 3.28Å; V91-V102 WeakPolarHBondContact CG1-O 3.32Å; R92-V102 HydrophobicContact CB-CB 3.89Å; R92-V102 HydrophobicContact CB-CG2 4.49Å; R92-V102 PolarHBondContact N-O 3.11Å
103	W	95.9	Very high	88.6	Confident	102 Å²	102	66.6 Å²	66.6	39%	0.386	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	136.6	-177.7	-67.7	74.1	0	0	0	110.7	V29 L37 Y89 V91 F100	V29-W103 HydrophobicContact CB-CH2 4.19Å; V29-W103 HydrophobicContact CB-CZ3 3.9Å; V29-W103 HydrophobicContact CG1-CH2 3.98Å; V29-W103 HydrophobicContact CG1-CZ3 3.89Å; V29-W103 HydrophobicContact CG2-CH2 4.07Å; V29-W103 HydrophobicContact CG2-CZ3 4.18Å; L37-W103 HydrophobicContact CD1-CH2 3.88Å; L37-W103 HydrophobicContact CD1-CZ3 4.29Å; L37-W103 HydrophobicContact CD2-CH2 4.45Å; L37-W103 HydrophobicContact CD2-CZ3 4.16Å; Y89-W103 HydrophobicContact CG-CE3 4.29Å; Y89-W103 HydrophobicContact CG-CZ3 4.48Å; V91-W103 HydrophobicContact CB-CD2 4.37Å; V91-W103 HydrophobicContact CB-CE3 4.42Å; V91-W103 HydrophobicContact CG1-CD2 3.67Å; V91-W103 HydrophobicContact CG1-CE3 4.17Å; V91-W103 HydrophobicContact CG1-CG 4Å; V91-W103 HydrophobicContact CG1-CH2 4.37Å; V91-W103 HydrophobicContact CG1-CZ2 3.92Å; V91-W103 HydrophobicContact CG1-CZ3 4.49Å; V91-W103 HydrophobicContact CG2-CD2 3.73Å; V91-W103 HydrophobicContact CG2-CE3 3.34Å; V91-W103 HydrophobicContact CG2-CG 4.47Å; V91-W103 HydrophobicContact CG2-CH2 3.97Å; V91-W103 HydrophobicContact CG2-CZ2 4.32Å; V91-W103 HydrophobicContact CG2-CZ3 3.47Å; V91-W103 VanDerWaalsContact CG2-CZ3 3.47Å; F100-W103 HydrophobicContact CB-CZ2 3.77Å; F100-W103 HydrophobicContact CD2-CH2 4.15Å; F100-W103 AromaticContact CD2-CZ2 3.82Å; F100-W103 HydrophobicContact CD2-CZ2 3.82Å; F100-W103 HydrophobicContact CG-CZ2 4.25Å
104	G	96	Very high	88.4	Confident	25 Å²	25	68.7 Å²	68.7	26%	0.258	41%	0.405	S	S	.	.			trans	-68.4	160.8	164.4	0	0	0	0	0	111.2	C90 G106	C90-G104 PolarHBondContact O-N 3.08Å; G104-G106 PolarHBondContact O-N 2.93Å; G104-G106 VanDerWaalsContact O-N 3.16Å
105	T	95.3	Very high	88.8	Confident	147 Å²	147	70.4 Å²	70.4	90%	0.902	42%	0.417	S	S	*	.			trans	-64.5	-18.2	178.7	50.3	0	0	0	0	113.8
106	G	96.6	Very high	89.8	Confident	24 Å²	24	69.5 Å²	69.5	25%	0.247	42%	0.415	C	S	.	.			trans	93.9	157.4	179.5	0	0	0	0	0	112.9	Y88 G104	Y88-G106 CarbonylContact O-C 3.52Å; Y88-G106 WeakPolarHBondContact O-CA 3.44Å; G104-G106 PolarHBondContact O-N 2.93Å; G104-G106 VanDerWaalsContact O-N 3.16Å
107	T	97.6	Very high	90.9	Very high	42 Å²	42	69.4 Å²	69.4	26%	0.258	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	133.9	174.1	-160	0	0	0	0	111.3	G1 L12 M87 Y88	G1-T107 WeakPolarHBondContact CA-OG1 3.42Å; G1-T107 PolarHBondContact N-OG1 3.04Å; L12-T107 HydrophobicContact CD1-CG2 4.17Å; L12-T107 HydrophobicContact CD2-CG2 3.86Å; M87-T107 PolarHBondContact SD-N 3.14Å; M87-T107 VanDerWaalsContact SD-N 3.35Å; Y88-T107 PolarHBondContact N-O 3.12Å; Y88-T107 PolarHBondContact O-N 3.41Å
108	T	97.9	Very high	92.3	Very high	70 Å²	70	62.5 Å²	62.5	43%	0.429	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	131.3	-179.1	-50	0	0	0	0	110.4	G1 G2 M87	G1-T108 CarbonylContact C-O 3.59Å; G1-T108 WeakPolarHBondContact CA-O 3.41Å; G2-T108 PolarHBondContact N-O 2.82Å; M87-T108 WeakPolarHBondContact CE-OG1 3.47Å; M87-T108 PolarHBondContact SD-N 3.27Å; M87-T108 VanDerWaalsContact SD-N 3.36Å
109	V	98	Very high	93.6	Very high	0 Å²	0	63.5 Å²	63.5	0%	0	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	126.4	165.1	177.7	0	0	0	0	107.5	L10 L12 M77 T85 A86 Y88 V111	L10-V109 HydrophobicContact CD2-CG1 4.01Å; L10-V109 HydrophobicContact CD2-CG2 3.78Å; L12-V109 HydrophobicContact CD1-CG2 4.06Å; L12-V109 HydrophobicContact CD2-CG2 3.86Å; L12-V109 HydrophobicContact CG-CG2 4.44Å; M77-V109 HydrophobicContact CE-CG1 4.49Å; M77-V109 HydrophobicContact SD-CG2 4.49Å; T85-V109 VanDerWaalsContact CA-O 3.31Å; T85-V109 WeakPolarHBondContact CA-O 3.42Å; A86-V109 PolarHBondContact N-O 2.84Å; A86-V109 VanDerWaalsContact N-O 3.08Å; A86-V109 PolarHBondContact O-N 3.08Å; Y88-V109 HydrophobicContact CD2-CB 3.88Å; Y88-V109 HydrophobicContact CD2-CG2 3.66Å; Y88-V109 HydrophobicContact CE2-CB 3.76Å; Y88-V109 HydrophobicContact CE2-CG1 4.49Å; Y88-V109 HydrophobicContact CE2-CG2 3.95Å; Y88-V109 HydrophobicContact CG-CG2 4.46Å; V109-V111 HydrophobicContact CG1-CG2 4.25Å
110	T	97.6	Very high	94.4	Very high	52 Å²	52	60 Å²	60	32%	0.319	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	126.3	177	-56.3	0	0	0	0	109	G2 L3 V4 T85	G2-T110 PolarHBondContact O-N 2.92Å; L3-T110 WeakPolarHBondContact CA-O 3.31Å; L3-T110 HydrophobicContact CD1-CG2 3.72Å; V4-T110 PolarHBondContact N-O 3.26Å; T85-T110 HydrophobicContact CG2-CG2 4.43Å
111	V	96	Very high	94.6	Very high	5 Å²	5	59.3 Å²	59.3	3%	0.03	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	103.8	176.3	-170.3	0	0	0	0	108.9	V4 P6 L80 K81 D84 T85 V109	V4-V111 HydrophobicContact CG2-CG2 3.95Å; V4-V111 VanDerWaalsContact O-CA 3.26Å; V4-V111 WeakPolarHBondContact O-CA 3.37Å; P6-V111 HydrophobicContact CB-CG1 4.47Å; P6-V111 HydrophobicContact CG-CG1 4.16Å; L80-V111 HydrophobicContact CB-CG1 4.25Å; L80-V111 HydrophobicContact CB-CG2 4.07Å; L80-V111 HydrophobicContact CD1-CG2 4.45Å; L80-V111 HydrophobicContact CD2-CG2 4.33Å; K81-V111 WeakPolarHBondContact O-CB 3.35Å; K81-V111 WeakPolarHBondContact O-CG1 3.02Å; K81-V111 WeakPolarHBondContact O-CG2 3Å; D84-V111 HydrophobicContact CB-CG2 4.45Å; T85-V111 PolarHBondContact OG1-N 2.91Å; T85-V111 PolarHBondContact OG1-O 2.89Å; V109-V111 HydrophobicContact CG1-CG2 4.25Å
112	S	92.4	Very high	95	Very high	52 Å²	52	59.8 Å²	59.8	36%	0.364	38%	0.377	S	S	.	.			trans	-140.8	151.4	-179.6	63.7	0	0	0	0	111	L3 V4	L3-S112 WeakPolarHBondContact CD1-OG 3.45Å; V4-S112 PolarHBondContact O-N 2.84Å
113	S	82.8	Confident	95.1	Very high	143 Å²	143	60.2 Å²	60.2	100%	1	38%	0.381	S	S	*	.			trans	-69.7	0	174.6	55.4	0	0	0	0	112	Q5	Q5-S113 PolarHBondContact NE2-OXT 2.62Å

Retrieved 113 of 113 residues in 26.3 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).