X5J5C6_MOUSE Loading...

IgM heavy chain VDJ region

AlphaFold DB , UniProt , Accession X5J5C6, Species MOUSE (Mus musculus, Mouse), Gene n/a, Length 112 aa.

						>X5J5C6_MOUSE|X5J5C6
AELVKPGASVKLSCKASGYTFTNYWMHWVKQRPGQGLEWIGMIHPNSGSTNYNEKFKSKATLTVDKSSSTAYMQLSSLTSEDSAVYYCARTGSSYLYYFDYWGQGTTLTVSS
					

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(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	A	78.1	Confident	93.7	Very high	118 Å²	118	76.5 Å²	76.5	98%	0.975	46%	0.464	S	S	*	.				0	142.5	0	0	0	0	0	0	107.8	T107	A1-T107 CarbonylContact C-O 3.54Å; A1-T107 WeakPolarHBondContact CA-O 3.29Å
2	E	87.6	Confident	94.1	Very high	76 Å²	76	70.8 Å²	70.8	36%	0.355	43%	0.428	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	130.8	-175.6	-164.4	172.6	164.4	0	0	110	V4 V10 T107 L108 T109	E2-V4 HydrophobicContact CG-CG1 3.98Å; E2-V10 WeakPolarHBondContact OE1-CG2 3.44Å; E2-V10 WeakPolarHBondContact OE2-CG2 3.27Å; E2-T107 PolarHBondContact N-O 3.26Å; E2-L108 HydrophobicContact CB-CD1 4.03Å; E2-L108 HydrophobicContact CG-CD1 4.42Å; E2-L108 CarbonylContact O-C 3.51Å; E2-L108 WeakPolarHBondContact O-CA 3.5Å; E2-T109 PolarHBondContact O-N 2.95Å
3	L	94.3	Very high	94.3	Very high	124 Å²	124	71 Å²	71	65%	0.649	44%	0.435	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-111.4	121.5	178.5	179.7	65.3	0	0	0	108.6	T109 S111	L3-T109 WeakPolarHBondContact CA-O 3.29Å; L3-T109 HydrophobicContact CD1-CG2 3.69Å; L3-S111 WeakPolarHBondContact CD1-OG 3.46Å
4	V	95.7	Very high	94.5	Very high	20 Å²	20	66.9 Å²	66.9	12%	0.121	41%	0.411	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	156.3	-175.9	-60.1	0	0	0	0	111.5	E2 A8 L78 L108 T109 V110 S111	E2-V4 HydrophobicContact CG-CG1 3.98Å; V4-A8 HydrophobicContact CB-CB 4.29Å; V4-L78 HydrophobicContact CG2-CD1 3.49Å; V4-L78 VanDerWaalsContact CG2-CD1 3.49Å; V4-L108 HydrophobicContact CG1-CD1 4.39Å; V4-L108 HydrophobicContact CG2-CD1 3.89Å; V4-T109 PolarHBondContact N-O 2.64Å; V4-V110 HydrophobicContact CG2-CB 4.42Å; V4-V110 HydrophobicContact CG2-CG1 4.43Å; V4-V110 HydrophobicContact CG2-CG2 3.84Å; V4-V110 VanDerWaalsContact O-CA 3.32Å; V4-V110 WeakPolarHBondContact O-CA 3.49Å; V4-S111 PolarHBondContact O-N 2.75Å; V4-S111 VanDerWaalsContact O-N 3.08Å
5	K	95.7	Very high	94.6	Very high	149 Å²	149	72.8 Å²	72.8	65%	0.648	43%	0.428	S	S	*	.			trans	-81.7	152.3	175.9	-66.2	-175.2	177.5	-175.5	0	111.1	A8	K5-A8 WeakPolarHBondContact O-CB 3.27Å; K5-A8 PolarHBondContact O-N 3.25Å
6	P	97.1	Very high	94.5	Very high	73 Å²	73	69 Å²	69	47%	0.474	41%	0.408	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53	142.6	169.7	-25	33.9	0	0	0	112.1	A8 L78 V110	P6-A8 VanDerWaalsContact C-N 3.25Å; P6-A8 PolarHBondContact O-N 3.02Å; P6-L78 CarbonylContact C-O 3.6Å; P6-L78 WeakPolarHBondContact CA-O 3.13Å; P6-V110 HydrophobicContact CB-CG1 4.45Å; P6-V110 HydrophobicContact CG-CG1 4.17Å
7	G	95.5	Very high	94.3	Very high	55 Å²	55	70.9 Å²	70.9	57%	0.567	43%	0.425	S	S	*	.	T	Hydrogen-bonded Turn	trans	83.3	-13.1	-176.4	0	0	0	0	0	114.8	L78	G7-L78 PolarHBondContact N-O 2.96Å
8	A	96.3	Very high	94.1	Very high	35 Å²	35	71.9 Å²	71.9	29%	0.289	45%	0.453	S	S	.	.			trans	-67.8	166.2	175.4	0	0	0	0	0	112.2	V4 K5 P6 S77 L78	V4-A8 HydrophobicContact CB-CB 4.29Å; K5-A8 WeakPolarHBondContact O-CB 3.27Å; K5-A8 PolarHBondContact O-N 3.25Å; P6-A8 VanDerWaalsContact C-N 3.25Å; P6-A8 PolarHBondContact O-N 3.02Å; A8-S77 PolarHBondContact O-N 2.79Å; A8-L78 WeakPolarHBondContact O-CB 3.32Å; A8-L78 WeakPolarHBondContact O-CG 3.44Å; A8-L78 PolarHBondContact O-N 3.12Å
9	S	96.8	Very high	93.8	Very high	68 Å²	68	70.8 Å²	70.8	48%	0.476	44%	0.439	S	S	.	.			trans	-118.6	144.5	169.1	-58.9	0	0	0	0	109.7	L75 S76	S9-L75 CarbonylContact C-O 3.56Å; S9-L75 WeakPolarHBondContact CA-O 3.25Å; S9-L75 WeakPolarHBondContact CB-O 3.21Å; S9-S76 WeakPolarHBondContact OG-CA 3.25Å
10	V	96.8	Very high	93.8	Very high	5 Å²	5	71.4 Å²	71.4	3%	0.03	44%	0.443	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	146.8	178.8	64.8	0	0	0	0	110.5	E2 L12 Q74 L75 L78 L108	E2-V10 WeakPolarHBondContact OE1-CG2 3.44Å; E2-V10 WeakPolarHBondContact OE2-CG2 3.27Å; V10-L12 HydrophobicContact CG2-CD2 3.88Å; V10-L12 HydrophobicContact CG2-CG 4.4Å; V10-Q74 CarbonylContact O-C 3.55Å; V10-Q74 VanDerWaalsContact O-CA 3.25Å; V10-Q74 WeakPolarHBondContact O-CA 3.47Å; V10-L75 HydrophobicContact CG1-CB 3.93Å; V10-L75 HydrophobicContact CG1-CD1 4.22Å; V10-L75 PolarHBondContact N-O 2.84Å; V10-L75 PolarHBondContact O-N 2.81Å; V10-L78 HydrophobicContact CB-CD1 4.15Å; V10-L78 HydrophobicContact CG1-CD1 3.78Å; V10-L78 HydrophobicContact CG1-CD2 4.48Å; V10-L108 HydrophobicContact CB-CD1 4.5Å; V10-L108 HydrophobicContact CG1-CD1 4.21Å; V10-L108 HydrophobicContact CG1-CD2 3.88Å; V10-L108 HydrophobicContact CG2-CD1 4.39Å
11	K	97.4	Very high	93.8	Very high	119 Å²	119	68.2 Å²	68.2	52%	0.517	42%	0.423	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	106.5	172.7	-172.6	177.9	-178.8	-179.6	0	110	Y72	K11-Y72 HydrophobicContact CD-CD1 4.28Å; K11-Y72 VanDerWaalsContact CE-CD1 3.43Å; K11-Y72 VanDerWaalsContact CE-CG 3.4Å; K11-Y72 HydrophobicContact CG-CD1 4.2Å
12	L	97.4	Very high	94.5	Very high	7 Å²	7	64.4 Å²	64.4	4%	0.037	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	145.6	174.8	-57.2	-178.4	0	0	0	110.1	V10 W28 Y72 M73 Y86 T106	V10-L12 HydrophobicContact CG2-CD2 3.88Å; V10-L12 HydrophobicContact CG2-CG 4.4Å; L12-W28 HydrophobicContact CB-CH2 4.04Å; L12-W28 HydrophobicContact CB-CZ3 3.89Å; L12-Y72 CarbonylContact O-C 3.47Å; L12-Y72 WeakPolarHBondContact O-CA 3.42Å; L12-M73 HydrophobicContact CD1-CE 3.75Å; L12-M73 PolarHBondContact N-O 3.3Å; L12-M73 PolarHBondContact O-N 2.9Å; L12-Y86 HydrophobicContact CD1-CD1 4.3Å; L12-Y86 HydrophobicContact CD1-CD2 4.11Å; L12-Y86 HydrophobicContact CD1-CG 3.74Å; L12-T106 HydrophobicContact CD2-CG2 4.15Å
13	S	97.2	Very high	94.7	Very high	74 Å²	74	64.5 Å²	64.5	52%	0.517	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	148.6	-179.5	66.1	0	0	0	0	111.7	A71 Y72	S13-A71 CarbonylContact C-O 3.52Å; S13-A71 WeakPolarHBondContact CA-O 3.4Å; S13-Y72 VanDerWaalsContact CB-CD1 3.48Å; S13-Y72 VanDerWaalsContact CB-CE1 3.43Å
14	C	96.8	Very high	94.6	Very high	14 Å²	14	61.5 Å²	61.5	10%	0.095	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	104	174.2	179.7	0	0	0	0	108.6	W28 T70 A71 C88	C14-W28 HydrophobicContact CB-CH2 3.89Å; C14-W28 HydrophobicContact CB-CZ2 4.01Å; C14-T70 WeakPolarHBondContact O-CA 3.48Å; C14-A71 PolarHBondContact N-O 2.96Å; C14-A71 PolarHBondContact O-N 2.93Å; C14-C88 HydrophobicContact CB-CB 3.45Å; C14-C88 VanDerWaalsContact CB-CB 3.45Å; C14-C88 WeakPolarHBondContact CB-SG 3.42Å; C14-C88 WeakPolarHBondContact SG-CB 3.4Å; C14-C88 CovalentContact SG-SG 2.03Å; C14-C88 PolarHBondContact SG-SG 2.8Å
15	K	96.4	Very high	94.5	Very high	155 Å²	155	63.5 Å²	63.5	67%	0.674	38%	0.376	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-90.5	125.6	-179.4	-173.6	173.9	-177	178.4	0	110.2	T70	K15-T70 HydrophobicContact CB-CG2 4.42Å
16	A	93.4	Very high	94.5	Very high	12 Å²	12	56.5 Å²	56.5	10%	0.099	35%	0.346	C	S	.	.			trans	-79	146.2	175.2	0	0	0	0	0	111.8	Y19 F21 S69	A16-Y19 HydrophobicContact CB-CD1 4.45Å; A16-Y19 HydrophobicContact CB-CE1 3.62Å; A16-Y19 HydrophobicContact CB-CE2 4.05Å; A16-Y19 VanDerWaalsContact CB-OH 3.27Å; A16-Y19 WeakPolarHBondContact CB-OH 3.32Å; A16-F21 HydrophobicContact CB-CB 3.98Å; A16-F21 HydrophobicContact CB-CD2 3.36Å; A16-F21 HydrophobicContact CB-CE2 4.05Å; A16-F21 HydrophobicContact CB-CG 3.93Å; A16-S69 WeakPolarHBondContact CB-O 3.23Å; A16-S69 PolarHBondContact N-O 3.4Å
17	S	91.6	Very high	94.5	Very high	101 Å²	101	53.7 Å²	53.7	71%	0.706	33%	0.326	S	S	*	.			trans	-146.9	141	174.3	58.3	0	0	0	0	110.3	Y19	S17-Y19 WeakPolarHBondContact O-CD1 3.38Å
18	G	90.4	Very high	94.6	Very high	89 Å²	89	51.3 Å²	51.3	92%	0.918	30%	0.3	S	S	*	.	S	Bend	trans	78.7	17.2	175.3	0	0	0	0	0	116
19	Y	88.6	Confident	94.7	Very high	51 Å²	51	49.8 Å²	49.8	20%	0.2	29%	0.287	C	S	.	.	S	Bend	trans	-158.9	164.1	174.3	63.8	-80.6	0	0	0	112.4	A16 S17 F21 Y24	A16-Y19 HydrophobicContact CB-CD1 4.45Å; A16-Y19 HydrophobicContact CB-CE1 3.62Å; A16-Y19 HydrophobicContact CB-CE2 4.05Å; A16-Y19 VanDerWaalsContact CB-OH 3.27Å; A16-Y19 WeakPolarHBondContact CB-OH 3.32Å; S17-Y19 WeakPolarHBondContact O-CD1 3.38Å; Y19-F21 HydrophobicContact CE2-CD2 4.29Å; Y19-F21 PolarHBondContact O-N 3.06Å; Y19-Y24 AromaticContact CD2-CD2 3.38Å; Y19-Y24 HydrophobicContact CD2-CD2 3.38Å; Y19-Y24 AromaticContact CD2-CE2 3.58Å; Y19-Y24 HydrophobicContact CD2-CE2 3.58Å; Y19-Y24 HydrophobicContact CD2-CG 4.16Å; Y19-Y24 AromaticContact CE2-CD2 3.76Å; Y19-Y24 HydrophobicContact CE2-CD2 3.76Å; Y19-Y24 HydrophobicContact CE2-CE2 4.38Å; Y19-Y24 HydrophobicContact CE2-CG 4.15Å; Y19-Y24 HydrophobicContact CG-CD2 4.48Å; Y19-Y24 HydrophobicContact CG-CE2 4.31Å
20	T	92.8	Very high	94.7	Very high	82 Å²	82	46.6 Å²	46.6	50%	0.503	27%	0.265	S	S	.	.			trans	-72.4	93.1	172.2	-51.8	0	0	0	0	110.1	T22 N23 Y24	T20-T22 WeakPolarHBondContact CG2-OG1 3.45Å; T20-T22 PolarHBondContact O-N 3.23Å; T20-N23 PolarHBondContact O-N 2.67Å; T20-Y24 WeakPolarHBondContact O-CD2 3.03Å
21	F	93.5	Very high	94.8	Very high	5 Å²	5	49.5 Å²	49.5	2%	0.022	28%	0.278	C	S	.	.	G	3₁₀ helix	trans	-48.6	-36.5	-175.4	177.3	-122.3	0	0	0	114.4	A16 Y19 N23 M26 P45 V64 A71	A16-F21 HydrophobicContact CB-CB 3.98Å; A16-F21 HydrophobicContact CB-CD2 3.36Å; A16-F21 HydrophobicContact CB-CE2 4.05Å; A16-F21 HydrophobicContact CB-CG 3.93Å; Y19-F21 HydrophobicContact CE2-CD2 4.29Å; Y19-F21 PolarHBondContact O-N 3.06Å; F21-N23 PolarHBondContact O-N 2.96Å; F21-M26 HydrophobicContact CD2-CG 4.39Å; F21-M26 HydrophobicContact CD2-SD 4.39Å; F21-M26 HydrophobicContact CE2-CG 3.53Å; F21-M26 HydrophobicContact CE2-SD 3.94Å; F21-M26 HydrophobicContact CZ-CG 4.14Å; F21-P45 HydrophobicContact CD1-CB 3.75Å; F21-P45 HydrophobicContact CD1-CG 4.11Å; F21-P45 HydrophobicContact CD2-CG 4.19Å; F21-P45 HydrophobicContact CE1-CB 3.44Å; F21-P45 VanDerWaalsContact CE1-CB 3.44Å; F21-P45 HydrophobicContact CE1-CG 3.72Å; F21-P45 HydrophobicContact CE2-CB 4.45Å; F21-P45 HydrophobicContact CE2-CG 3.81Å; F21-P45 HydrophobicContact CG-CB 4.39Å; F21-P45 HydrophobicContact CG-CG 4.35Å; F21-P45 HydrophobicContact CZ-CB 3.83Å; F21-P45 HydrophobicContact CZ-CG 3.55Å; F21-V64 HydrophobicContact CZ-CG1 4.33Å; F21-A71 HydrophobicContact CE2-CB 4.38Å; F21-A71 HydrophobicContact CZ-CB 3.98Å
22	T	93.9	Very high	94.7	Very high	39 Å²	39	46.6 Å²	46.6	24%	0.239	26%	0.264	C	S	.	.	G	3₁₀ helix	trans	-70.6	-11	-178	52.5	0	0	0	0	114.9	T20 N46	T20-T22 WeakPolarHBondContact CG2-OG1 3.45Å; T20-T22 PolarHBondContact O-N 3.23Å; T22-N46 WeakPolarHBondContact O-CB 3.2Å
23	N	91.4	Very high	94.4	Very high	78 Å²	78	51.9 Å²	51.9	42%	0.417	30%	0.299	S	S	.	.	G	3₁₀ helix	trans	-93.3	-1.5	-176.7	-66.5	-1.6	0	0	0	114	T20 F21 S93	T20-N23 PolarHBondContact O-N 2.67Å; F21-N23 PolarHBondContact O-N 2.96Å; N23-S93 PolarHBondContact O-OG 3.46Å
24	Y	91.2	Very high	94.2	Very high	60 Å²	60	52.8 Å²	52.8	24%	0.235	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	148.6	-170.6	-64.3	-93	0	0	0	111.2	Y19 T20 P45 R90 T91	Y19-Y24 AromaticContact CD2-CD2 3.38Å; Y19-Y24 HydrophobicContact CD2-CD2 3.38Å; Y19-Y24 AromaticContact CD2-CE2 3.58Å; Y19-Y24 HydrophobicContact CD2-CE2 3.58Å; Y19-Y24 HydrophobicContact CD2-CG 4.16Å; Y19-Y24 AromaticContact CE2-CD2 3.76Å; Y19-Y24 HydrophobicContact CE2-CD2 3.76Å; Y19-Y24 HydrophobicContact CE2-CE2 4.38Å; Y19-Y24 HydrophobicContact CE2-CG 4.15Å; Y19-Y24 HydrophobicContact CG-CD2 4.48Å; Y19-Y24 HydrophobicContact CG-CE2 4.31Å; T20-Y24 WeakPolarHBondContact O-CD2 3.03Å; Y24-P45 WeakPolarHBondContact O-CD 3.38Å; Y24-R90 HydrophobicContact CD1-CG 4.37Å; Y24-T91 WeakPolarHBondContact CA-O 3.49Å; Y24-T91 WeakPolarHBondContact CB-O 3.32Å; Y24-T91 WeakPolarHBondContact CD1-O 3.32Å
25	W	94	Very high	94.1	Very high	62 Å²	62	56.6 Å²	56.6	24%	0.235	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79	139.2	167.2	-71.4	91.2	0	0	0	110.4	M42 H44 S49 R90 T91	W25-M42 HydrophobicContact CB-CE 3.9Å; W25-M42 HydrophobicContact CD2-CE 3.15Å; W25-M42 HydrophobicContact CE3-CB 4.2Å; W25-M42 HydrophobicContact CE3-CE 3.17Å; W25-M42 HydrophobicContact CE3-CG 3.75Å; W25-M42 HydrophobicContact CE3-SD 4.29Å; W25-M42 HydrophobicContact CG-CE 3.49Å; W25-M42 VanDerWaalsContact CG-CE 3.49Å; W25-M42 HydrophobicContact CH2-CE 4.2Å; W25-M42 HydrophobicContact CZ2-CE 4.21Å; W25-M42 HydrophobicContact CZ3-CE 3.71Å; W25-M42 HydrophobicContact CZ3-CG 3.98Å; W25-H44 AromaticContact CD1-CD2 3.88Å; W25-H44 HydrophobicContact CD2-CB 3.73Å; W25-H44 AromaticContact CD2-CD2 3.79Å; W25-H44 AromaticContact CE2-CD2 3.68Å; W25-H44 HydrophobicContact CE3-CB 3.52Å; W25-H44 VanDerWaalsContact CE3-N 3.28Å; W25-H44 AromaticContact CG-CD2 3.94Å; W25-H44 HydrophobicContact CH2-CB 3.66Å; W25-H44 HydrophobicContact CZ2-CB 3.83Å; W25-H44 HydrophobicContact CZ3-CB 3.51Å; W25-H44 AromaticContact NE1-CD2 3.69Å; W25-S49 WeakPolarHBondContact CZ3-O 3.49Å; W25-R90 VanDerWaalsContact O-CA 3.25Å; W25-R90 WeakPolarHBondContact O-CA 3.33Å; W25-T91 PolarHBondContact N-O 3.02Å; W25-T91 VanDerWaalsContact N-O 3.08Å; W25-T91 PolarHBondContact O-N 2.89Å; W25-T91 VanDerWaalsContact O-N 3.12Å
26	M	96	Very high	94	Very high	3 Å²	3	51.9 Å²	51.9	2%	0.015	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105	117.5	173.3	-66.3	-49.5	-48.6	0	0	110.3	F21 M42 I43 P45 A71 C88 A89 R90	F21-M26 HydrophobicContact CD2-CG 4.39Å; F21-M26 HydrophobicContact CD2-SD 4.39Å; F21-M26 HydrophobicContact CE2-CG 3.53Å; F21-M26 HydrophobicContact CE2-SD 3.94Å; F21-M26 HydrophobicContact CZ-CG 4.14Å; M26-M42 CarbonylContact O-C 3.39Å; M26-M42 WeakPolarHBondContact O-CA 3.5Å; M26-I43 HydrophobicContact CB-CG2 4.12Å; M26-I43 PolarHBondContact N-O 3.47Å; M26-I43 PolarHBondContact O-N 2.99Å; M26-P45 HydrophobicContact CG-CG 3.98Å; M26-A71 HydrophobicContact CB-CB 4.01Å; M26-A71 HydrophobicContact CG-CB 4.04Å; M26-C88 HydrophobicContact CE-CB 4.3Å; M26-A89 WeakPolarHBondContact CE-O 3.41Å; M26-R90 HydrophobicContact CE-CB 4.19Å; M26-R90 HydrophobicContact SD-CB 3.81Å
27	H	96.9	Very high	94.1	Very high	13 Å²	13	56 Å²	56	6%	0.06	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	148.4	-179.7	-61.5	-108	0	0	0	110.6	W39 G41 M42 C88 A89 T91 F99	H27-W39 AromaticContact CG-NE1 3.94Å; H27-W39 AromaticContact ND1-NE1 3.21Å; H27-W39 PolarHBondContact ND1-NE1 2.83Å; H27-G41 WeakPolarHBondContact CA-O 3.06Å; H27-M42 PolarHBondContact CE1-SD 2.77Å; H27-C88 CarbonylContact O-C 3.59Å; H27-C88 WeakPolarHBondContact O-CA 3.43Å; H27-A89 HydrophobicContact CB-CB 4.5Å; H27-A89 PolarHBondContact N-O 3.4Å; H27-A89 PolarHBondContact O-N 3.18Å; H27-T91 WeakPolarHBondContact NE2-CG2 3.5Å; H27-T91 PolarHBondContact NE2-OG1 3.39Å; H27-F99 HydrophobicContact CB-CD1 4.44Å; H27-F99 HydrophobicContact CB-CE1 3.72Å; H27-F99 HydrophobicContact CB-CZ 4.27Å; H27-F99 AromaticContact CD2-CE1 3.65Å; H27-F99 AromaticContact CE1-CE1 3.81Å; H27-F99 AromaticContact CG-CE1 3.35Å; H27-F99 AromaticContact ND1-CE1 3.46Å; H27-F99 WeakPolarHBondContact ND1-CE1 3.48Å; H27-F99 AromaticContact ND1-CZ 3.95Å; H27-F99 AromaticContact NE2-CE1 3.93Å
28	W	98	Very high	94.3	Very high	6 Å²	6	52.8 Å²	52.8	2%	0.023	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	134.3	172.9	-69.4	91.5	0	0	0	110	L12 C14 I40 G41 L62 A71 M73 Y87 C88	L12-W28 HydrophobicContact CB-CH2 4.04Å; L12-W28 HydrophobicContact CB-CZ3 3.89Å; C14-W28 HydrophobicContact CB-CH2 3.89Å; C14-W28 HydrophobicContact CB-CZ2 4.01Å; W28-I40 HydrophobicContact CB-CB 4.18Å; W28-I40 HydrophobicContact CB-CD1 4.28Å; W28-I40 WeakPolarHBondContact O-CB 3.19Å; W28-I40 PolarHBondContact O-N 2.82Å; W28-G41 PolarHBondContact N-O 3.05Å; W28-L62 VanDerWaalsContact CD1-CD2 3.43Å; W28-L62 HydrophobicContact CG-CD2 4.05Å; W28-A71 HydrophobicContact CZ2-CB 4.39Å; W28-M73 HydrophobicContact CB-SD 3.81Å; W28-M73 HydrophobicContact CD2-CB 3.56Å; W28-M73 HydrophobicContact CD2-CE 4.3Å; W28-M73 HydrophobicContact CD2-CG 4.4Å; W28-M73 HydrophobicContact CD2-SD 4.09Å; W28-M73 HydrophobicContact CE3-CB 3.88Å; W28-M73 HydrophobicContact CE3-CE 3.79Å; W28-M73 HydrophobicContact CE3-SD 4.19Å; W28-M73 HydrophobicContact CG-CB 4.02Å; W28-M73 HydrophobicContact CG-SD 3.95Å; W28-M73 HydrophobicContact CH2-CB 4.13Å; W28-M73 HydrophobicContact CZ2-CB 3.85Å; W28-M73 HydrophobicContact CZ3-CB 4.14Å; W28-M73 HydrophobicContact CZ3-CE 4.34Å; W28-Y87 WeakPolarHBondContact CA-O 3.18Å; W28-C88 HydrophobicContact CE3-CB 4.4Å; W28-C88 HydrophobicContact CZ3-CB 4.38Å
29	V	97.9	Very high	94.6	Very high	3 Å²	3	52 Å²	52	2%	0.018	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	136	-173.4	-176	0	0	0	0	109.3	L37 E38 Y86 Y87 W102	V29-L37 HydrophobicContact CG1-CB 3.82Å; V29-L37 HydrophobicContact CG1-CD2 3.98Å; V29-L37 HydrophobicContact CG1-CG 4.38Å; V29-E38 CarbonylContact C-O 3.58Å; V29-E38 WeakPolarHBondContact CA-O 3.3Å; V29-E38 WeakPolarHBondContact CG1-O 3.37Å; V29-Y86 CarbonylContact O-C 3.56Å; V29-Y86 WeakPolarHBondContact O-CA 3.35Å; V29-Y87 PolarHBondContact N-O 3.33Å; V29-Y87 PolarHBondContact O-N 3.1Å; V29-W102 HydrophobicContact CB-CH2 4.1Å; V29-W102 HydrophobicContact CB-CZ3 3.82Å; V29-W102 HydrophobicContact CG1-CH2 4.02Å; V29-W102 HydrophobicContact CG1-CZ3 4.03Å; V29-W102 HydrophobicContact CG2-CH2 3.77Å; V29-W102 HydrophobicContact CG2-CZ3 3.84Å
30	K	97.4	Very high	95.1	Very high	1 Å²	1	49.6 Å²	49.6	0%	0.004	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	140.7	175.4	-177.5	-179.4	-178.5	-179.5	0	109.8	R32 E38 I40 F56 E81 D82 A84 Y86	K30-R32 VanDerWaalsContact NZ-NH2 3.17Å; K30-E38 HydrophobicContact CB-CB 4.37Å; K30-E38 PolarHBondContact N-O 2.9Å; K30-E38 PolarHBondContact O-N 2.93Å; K30-I40 HydrophobicContact CB-CD1 4.07Å; K30-I40 HydrophobicContact CB-CG1 4.23Å; K30-F56 HydrophobicContact CD-CE1 4.03Å; K30-F56 HydrophobicContact CD-CZ 4.19Å; K30-E81 PolarHBondContact NZ-O 3.08Å; K30-D82 IonicContact NZ-OD1 2.8Å; K30-A84 HydrophobicContact CD-CB 4.22Å; K30-A84 HydrophobicContact CG-CB 3.55Å; K30-Y86 HydrophobicContact CB-CD1 4.16Å; K30-Y86 HydrophobicContact CB-CE1 3.91Å; K30-Y86 HydrophobicContact CD-CE1 4.05Å; K30-Y86 HydrophobicContact CG-CD1 4.35Å; K30-Y86 HydrophobicContact CG-CE1 3.82Å
31	Q	97.7	Very high	95.3	Very high	65 Å²	65	45.7 Å²	45.7	30%	0.304	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	114.8	170.6	-169	-178.2	28.6	0	0	110.2	L37 A84 V85 Y87	Q31-L37 HydrophobicContact CB-CD2 3.88Å; Q31-L37 HydrophobicContact CG-CD2 3.97Å; Q31-A84 WeakPolarHBondContact O-CA 3.44Å; Q31-A84 VanDerWaalsContact O-CB 3.29Å; Q31-A84 WeakPolarHBondContact O-CB 3.39Å; Q31-V85 PolarHBondContact N-O 2.88Å; Q31-V85 PolarHBondContact O-N 3Å; Q31-Y87 HydrophobicContact CB-CD2 4.43Å; Q31-Y87 HydrophobicContact CB-CE2 3.73Å; Q31-Y87 PolarHBondContact OE1-OH 2.82Å
32	R	95.5	Very high	95.4	Very high	58 Å²	58	46.9 Å²	46.9	22%	0.219	27%	0.267	C	S	.	.			trans	-83.1	151.3	169.9	-59.4	-164.9	-170.1	86.4	0.7	110.3	K30 G34 Q35 E38 E81 A84	K30-R32 VanDerWaalsContact NZ-NH2 3.17Å; R32-G34 PolarHBondContact O-N 3.03Å; R32-Q35 HydrophobicContact CB-CB 4.02Å; R32-Q35 HydrophobicContact CB-CG 4.04Å; R32-Q35 PolarHBondContact O-N 3.44Å; R32-E38 IonicContact CZ-OE1 2.67Å; R32-E38 IonicContact NH1-OE1 2.8Å; R32-E38 PolarHBondContact NH1-OE1 2.83Å; R32-E38 IonicContact NH2-OE1 2.56Å; R32-E81 PolarHBondContact NE-O 2.9Å; R32-A84 HydrophobicContact CG-CB 4.32Å
33	P	91.9	Very high	95.6	Very high	118 Å²	118	45.3 Å²	45.3	77%	0.766	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.8	127.5	172.5	-25.4	34.7	0	0	0	111.4	Q35	P33-Q35 PolarHBondContact O-N 2.93Å
34	G	92.9	Very high	95.8	Very high	93 Å²	93	42.8 Å²	42.8	96%	0.959	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	71.8	5.1	-179.7	0	0	0	0	0	115.8	R32	R32-G34 PolarHBondContact O-N 3.03Å
35	Q	94	Very high	96	Very high	95 Å²	95	40 Å²	40	44%	0.444	23%	0.232	S	C	.	.	S	Bend	trans	-112.9	161.3	176.4	-60.1	-171.6	-5.8	0	0	112	R32 P33	R32-Q35 HydrophobicContact CB-CB 4.02Å; R32-Q35 HydrophobicContact CB-CG 4.04Å; R32-Q35 PolarHBondContact O-N 3.44Å; P33-Q35 PolarHBondContact O-N 2.93Å
36	G	94.2	Very high	96.1	Very high	56 Å²	56	41.4 Å²	41.4	58%	0.577	24%	0.244	S	C	*	.			trans	-67.5	174	173.1	0	0	0	0	0	113.2
37	L	95.7	Very high	96	Very high	97 Å²	97	45 Å²	45	51%	0.508	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.1	129.4	174.5	-64.2	174.2	0	0	0	110.4	V29 Q31 Y87 W102	V29-L37 HydrophobicContact CG1-CB 3.82Å; V29-L37 HydrophobicContact CG1-CD2 3.98Å; V29-L37 HydrophobicContact CG1-CG 4.38Å; Q31-L37 HydrophobicContact CB-CD2 3.88Å; Q31-L37 HydrophobicContact CG-CD2 3.97Å; L37-Y87 HydrophobicContact CD2-CE2 4.5Å; L37-W102 HydrophobicContact CD1-CH2 3.84Å; L37-W102 HydrophobicContact CD1-CZ2 4.31Å
38	E	96.8	Very high	95.9	Very high	35 Å²	35	46.1 Å²	46.1	16%	0.164	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	113.4	174.8	-66.3	-171.5	-92	0	0	110	V29 K30 R32 I40 F56	V29-E38 CarbonylContact C-O 3.58Å; V29-E38 WeakPolarHBondContact CA-O 3.3Å; V29-E38 WeakPolarHBondContact CG1-O 3.37Å; K30-E38 HydrophobicContact CB-CB 4.37Å; K30-E38 PolarHBondContact N-O 2.9Å; K30-E38 PolarHBondContact O-N 2.93Å; R32-E38 IonicContact CZ-OE1 2.67Å; R32-E38 IonicContact NH1-OE1 2.8Å; R32-E38 PolarHBondContact NH1-OE1 2.83Å; R32-E38 IonicContact NH2-OE1 2.56Å; E38-I40 PolarHBondContact O-N 2.97Å; E38-F56 HydrophobicContact CB-CE2 4.41Å; E38-F56 HydrophobicContact CB-CZ 4.32Å
39	W	96.8	Very high	95.8	Very high	72 Å²	72	48.7 Å²	48.7	27%	0.273	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.9	127.5	174.9	-178.9	72.5	0	0	0	110.6	H27 G41 M42 N51 N53	H27-W39 AromaticContact CG-NE1 3.94Å; H27-W39 AromaticContact ND1-NE1 3.21Å; H27-W39 PolarHBondContact ND1-NE1 2.83Å; W39-G41 VanDerWaalsContact CE2-C 3.49Å; W39-G41 PolarHBondContact NE1-O 3.08Å; W39-G41 VanDerWaalsContact NE1-O 3.08Å; W39-M42 HydrophobicContact CH2-SD 4.46Å; W39-M42 HydrophobicContact CZ2-CB 3.95Å; W39-M42 HydrophobicContact CZ2-CG 3.79Å; W39-M42 HydrophobicContact CZ2-SD 3.77Å; W39-N51 HydrophobicContact CH2-CB 4.25Å; W39-N53 HydrophobicContact CE3-CB 3.87Å; W39-N53 HydrophobicContact CZ3-CB 4.07Å; W39-N53 WeakPolarHBondContact O-CB 3.38Å; W39-N53 PolarHBondContact O-ND2 3.05Å
40	I	97.9	Very high	95.8	Very high	0 Å²	0	51.4 Å²	51.4	0%	0	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	-48.6	-178.2	-59.1	175	0	0	0	110.1	W28 K30 E38 N53 F56 A60 M73 Y86	W28-I40 HydrophobicContact CB-CB 4.18Å; W28-I40 HydrophobicContact CB-CD1 4.28Å; W28-I40 WeakPolarHBondContact O-CB 3.19Å; W28-I40 PolarHBondContact O-N 2.82Å; K30-I40 HydrophobicContact CB-CD1 4.07Å; K30-I40 HydrophobicContact CB-CG1 4.23Å; E38-I40 PolarHBondContact O-N 2.97Å; I40-N53 PolarHBondContact O-N 3.23Å; I40-F56 HydrophobicContact CB-CB 4.45Å; I40-F56 HydrophobicContact CB-CD2 4.31Å; I40-F56 HydrophobicContact CB-CG 4.23Å; I40-F56 HydrophobicContact CG1-CD1 4.2Å; I40-F56 HydrophobicContact CG1-CD2 4.25Å; I40-F56 HydrophobicContact CG1-CE1 4.25Å; I40-F56 HydrophobicContact CG1-CE2 4.3Å; I40-F56 HydrophobicContact CG1-CG 4.2Å; I40-F56 HydrophobicContact CG1-CZ 4.3Å; I40-F56 HydrophobicContact CG2-CB 3.62Å; I40-F56 HydrophobicContact CG2-CD1 4.2Å; I40-F56 HydrophobicContact CG2-CD2 4.37Å; I40-F56 HydrophobicContact CG2-CG 3.82Å; I40-A60 HydrophobicContact CG2-CB 3.7Å; I40-M73 HydrophobicContact CD1-CE 3.89Å; I40-M73 HydrophobicContact CD1-SD 3.55Å; I40-M73 VanDerWaalsContact CD1-SD 3.55Å; I40-M73 HydrophobicContact CG2-SD 3.91Å; I40-Y86 HydrophobicContact CD1-CD1 3.81Å; I40-Y86 HydrophobicContact CD1-CE1 3.79Å
41	G	97.3	Very high	95.8	Very high	0 Å²	0	55.8 Å²	55.8	0%	0	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	172.4	178.8	-172.8	0	0	0	0	0	112.6	H27 W28 W39 N51	H27-G41 WeakPolarHBondContact CA-O 3.06Å; W28-G41 PolarHBondContact N-O 3.05Å; W39-G41 VanDerWaalsContact CE2-C 3.49Å; W39-G41 PolarHBondContact NE1-O 3.08Å; W39-G41 VanDerWaalsContact NE1-O 3.08Å; G41-N51 CarbonylContact C-O 3.51Å; G41-N51 WeakPolarHBondContact CA-O 3.46Å
42	M	96.8	Very high	95.8	Very high	31 Å²	31	54.7 Å²	54.7	15%	0.153	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	153.3	176.3	66.7	-159.5	-92.6	0	0	111.6	W25 M26 H27 W39 T50 N51	W25-M42 HydrophobicContact CB-CE 3.9Å; W25-M42 HydrophobicContact CD2-CE 3.15Å; W25-M42 HydrophobicContact CE3-CB 4.2Å; W25-M42 HydrophobicContact CE3-CE 3.17Å; W25-M42 HydrophobicContact CE3-CG 3.75Å; W25-M42 HydrophobicContact CE3-SD 4.29Å; W25-M42 HydrophobicContact CG-CE 3.49Å; W25-M42 VanDerWaalsContact CG-CE 3.49Å; W25-M42 HydrophobicContact CH2-CE 4.2Å; W25-M42 HydrophobicContact CZ2-CE 4.21Å; W25-M42 HydrophobicContact CZ3-CE 3.71Å; W25-M42 HydrophobicContact CZ3-CG 3.98Å; M26-M42 CarbonylContact O-C 3.39Å; M26-M42 WeakPolarHBondContact O-CA 3.5Å; H27-M42 PolarHBondContact CE1-SD 2.77Å; W39-M42 HydrophobicContact CH2-SD 4.46Å; W39-M42 HydrophobicContact CZ2-CB 3.95Å; W39-M42 HydrophobicContact CZ2-CG 3.79Å; W39-M42 HydrophobicContact CZ2-SD 3.77Å; M42-T50 VanDerWaalsContact O-CA 3.26Å; M42-T50 WeakPolarHBondContact O-CA 3.18Å; M42-N51 HydrophobicContact CG-CB 4Å; M42-N51 PolarHBondContact N-O 3.2Å; M42-N51 PolarHBondContact O-N 2.95Å; M42-N51 HydrophobicContact SD-CB 4.38Å
43	I	97.3	Very high	95.8	Very high	5 Å²	5	54.1 Å²	54.1	3%	0.026	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	134.5	174.4	-174.7	159.5	0	0	0	110.1	M26 P45 S49 T50 L62 V64	M26-I43 HydrophobicContact CB-CG2 4.12Å; M26-I43 PolarHBondContact N-O 3.47Å; M26-I43 PolarHBondContact O-N 2.99Å; I43-P45 WeakPolarHBondContact O-CD 3.25Å; I43-S49 CarbonylContact C-O 3.58Å; I43-S49 WeakPolarHBondContact CA-O 3.18Å; I43-T50 HydrophobicContact CB-CG2 3.95Å; I43-T50 HydrophobicContact CD1-CG2 3.69Å; I43-T50 HydrophobicContact CG1-CG2 3.75Å; I43-L62 HydrophobicContact CB-CB 4.09Å; I43-L62 HydrophobicContact CB-CD1 4.36Å; I43-L62 HydrophobicContact CD1-CB 4.18Å; I43-L62 HydrophobicContact CG2-CB 4.29Å; I43-V64 HydrophobicContact CD1-CG1 3.83Å; I43-V64 HydrophobicContact CD1-CG2 4.31Å; I43-V64 HydrophobicContact CG1-CG1 3.95Å; I43-V64 HydrophobicContact CG2-CG1 3.82Å
44	H	95.7	Very high	96	Very high	26 Å²	26	54.7 Å²	54.7	12%	0.12	33%	0.331	C	S	.	.			trans	-90.5	113.9	172.6	-168.1	-111.6	0	0	0	109.5	W25 N46 S47 G48 S49	W25-H44 AromaticContact CD1-CD2 3.88Å; W25-H44 HydrophobicContact CD2-CB 3.73Å; W25-H44 AromaticContact CD2-CD2 3.79Å; W25-H44 AromaticContact CE2-CD2 3.68Å; W25-H44 HydrophobicContact CE3-CB 3.52Å; W25-H44 VanDerWaalsContact CE3-N 3.28Å; W25-H44 AromaticContact CG-CD2 3.94Å; W25-H44 HydrophobicContact CH2-CB 3.66Å; W25-H44 HydrophobicContact CZ2-CB 3.83Å; W25-H44 HydrophobicContact CZ3-CB 3.51Å; W25-H44 AromaticContact NE1-CD2 3.69Å; H44-N46 PolarHBondContact O-N 2.56Å; H44-S47 WeakPolarHBondContact CB-OG 3.45Å; H44-S47 PolarHBondContact ND1-N 2.8Å; H44-S47 PolarHBondContact ND1-OG 2.93Å; H44-S47 PolarHBondContact O-N 3.49Å; H44-G48 WeakPolarHBondContact O-CA 3.46Å; H44-G48 PolarHBondContact O-N 2.78Å; H44-S49 PolarHBondContact N-O 2.89Å
45	P	95.8	Very high	96.1	Very high	0 Å²	0	57.5 Å²	57.5	0%	0	32%	0.317	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.5	-24.3	-172.3	-21.3	33.6	0	0	0	114.3	F21 Y24 M26 I43 V64 K66	F21-P45 HydrophobicContact CD1-CB 3.75Å; F21-P45 HydrophobicContact CD1-CG 4.11Å; F21-P45 HydrophobicContact CD2-CG 4.19Å; F21-P45 HydrophobicContact CE1-CB 3.44Å; F21-P45 VanDerWaalsContact CE1-CB 3.44Å; F21-P45 HydrophobicContact CE1-CG 3.72Å; F21-P45 HydrophobicContact CE2-CB 4.45Å; F21-P45 HydrophobicContact CE2-CG 3.81Å; F21-P45 HydrophobicContact CG-CB 4.39Å; F21-P45 HydrophobicContact CG-CG 4.35Å; F21-P45 HydrophobicContact CZ-CB 3.83Å; F21-P45 HydrophobicContact CZ-CG 3.55Å; Y24-P45 WeakPolarHBondContact O-CD 3.38Å; M26-P45 HydrophobicContact CG-CG 3.98Å; I43-P45 WeakPolarHBondContact O-CD 3.25Å; P45-V64 HydrophobicContact CB-CB 4.41Å; P45-V64 HydrophobicContact CB-CG1 4.05Å; P45-V64 HydrophobicContact CG-CG1 4.21Å; P45-K66 WeakPolarHBondContact O-CE 3.33Å
46	N	94.8	Very high	96.2	Very high	92 Å²	92	53.5 Å²	53.5	49%	0.492	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.5	-52.9	175.8	-169.9	27.1	0	0	0	112.5	T22 H44 K66	T22-N46 WeakPolarHBondContact O-CB 3.2Å; H44-N46 PolarHBondContact O-N 2.56Å; N46-K66 PolarHBondContact O-NZ 2.61Å
47	S	95	Very high	96.2	Very high	78 Å²	78	56.2 Å²	56.2	55%	0.545	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.9	-15.7	-172.2	55.1	0	0	0	0	113.7	H44 S49	H44-S47 WeakPolarHBondContact CB-OG 3.45Å; H44-S47 PolarHBondContact ND1-N 2.8Å; H44-S47 PolarHBondContact ND1-OG 2.93Å; H44-S47 PolarHBondContact O-N 3.49Å; S47-S49 PolarHBondContact O-N 2.79Å
48	G	95.2	Very high	96.2	Very high	38 Å²	38	57 Å²	57	39%	0.392	31%	0.307	S	S	.	.			trans	70.1	5.6	-171.9	0	0	0	0	0	113.7	H44 T50	H44-G48 WeakPolarHBondContact O-CA 3.46Å; H44-G48 PolarHBondContact O-N 2.78Å; G48-T50 PolarHBondContact O-N 3.15Å
49	S	96	Very high	96.1	Very high	59 Å²	59	57.2 Å²	57.2	41%	0.413	31%	0.308	S	S	.	.			trans	-61.7	135.1	177.5	-177.1	0	0	0	0	109.9	W25 I43 H44 S47	W25-S49 WeakPolarHBondContact CZ3-O 3.49Å; I43-S49 CarbonylContact C-O 3.58Å; I43-S49 WeakPolarHBondContact CA-O 3.18Å; H44-S49 PolarHBondContact N-O 2.89Å; S47-S49 PolarHBondContact O-N 2.79Å
50	T	97.1	Very high	96.2	Very high	60 Å²	60	53.9 Å²	53.9	37%	0.368	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	148	179.9	52.8	0	0	0	0	111	M42 I43 G48 Y52 L62	M42-T50 VanDerWaalsContact O-CA 3.26Å; M42-T50 WeakPolarHBondContact O-CA 3.18Å; I43-T50 HydrophobicContact CB-CG2 3.95Å; I43-T50 HydrophobicContact CD1-CG2 3.69Å; I43-T50 HydrophobicContact CG1-CG2 3.75Å; G48-T50 PolarHBondContact O-N 3.15Å; T50-Y52 HydrophobicContact CG2-CE2 4.41Å; T50-L62 HydrophobicContact CG2-CB 4.23Å
51	N	96.6	Very high	96.2	Very high	94 Å²	94	57.4 Å²	57.4	50%	0.503	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	144.2	167.2	-166.2	-1.5	0	0	0	108.5	W39 G41 M42	W39-N51 HydrophobicContact CH2-CB 4.25Å; G41-N51 CarbonylContact C-O 3.51Å; G41-N51 WeakPolarHBondContact CA-O 3.46Å; M42-N51 HydrophobicContact CG-CB 4Å; M42-N51 PolarHBondContact N-O 3.2Å; M42-N51 PolarHBondContact O-N 2.95Å; M42-N51 HydrophobicContact SD-CB 4.38Å
52	Y	97.7	Very high	96.2	Very high	42 Å²	42	57.8 Å²	57.8	17%	0.165	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	149.3	-174.4	-67.7	-90.5	0	0	0	110.3	T50 K57 A60 L62	T50-Y52 HydrophobicContact CG2-CE2 4.41Å; Y52-K57 HydrophobicContact CG-CG 4.41Å; Y52-A60 HydrophobicContact CE1-CB 4.43Å; Y52-A60 VanDerWaalsContact CE1-O 3.26Å; Y52-A60 WeakPolarHBondContact CE1-O 3.42Å; Y52-L62 HydrophobicContact CE1-CD1 3.98Å; Y52-L62 HydrophobicContact CE1-CG 3.65Å; Y52-L62 PolarHBondContact OH-N 2.89Å
53	N	96.9	Very high	96.3	Very high	46 Å²	46	59 Å²	59	25%	0.246	33%	0.328	C	S	.	.			trans	-72.9	130.6	155.9	-178.7	-23.6	0	0	0	108.3	W39 I40 K55 F56 K57	W39-N53 HydrophobicContact CE3-CB 3.87Å; W39-N53 HydrophobicContact CZ3-CB 4.07Å; W39-N53 WeakPolarHBondContact O-CB 3.38Å; W39-N53 PolarHBondContact O-ND2 3.05Å; I40-N53 PolarHBondContact O-N 3.23Å; N53-K55 PolarHBondContact O-N 3.05Å; N53-K55 PolarHBondContact OD1-N 2.82Å; N53-K55 VanDerWaalsContact OD1-N 3.15Å; N53-F56 HydrophobicContact CB-CD2 4.04Å; N53-F56 PolarHBondContact O-N 3.49Å; N53-K57 PolarHBondContact O-N 3.49Å
54	E	96.1	Very high	96.3	Very high	130 Å²	130	60.6 Å²	60.6	61%	0.607	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.3	-30.6	-176.7	-69.5	-61.7	148.4	0	0	112.8	F56 K57	E54-F56 PolarHBondContact O-N 2.81Å; E54-K57 PolarHBondContact O-N 2.98Å; E54-K57 IonicContact OE1-NZ 3.83Å; E54-K57 PolarHBondContact OE1-NZ 3.15Å; E54-K57 VanDerWaalsContact OE2-CD 3.23Å; E54-K57 WeakPolarHBondContact OE2-CD 3.4Å; E54-K57 IonicContact OE2-NZ 3.45Å; E54-K57 PolarHBondContact OE2-NZ 3.04Å
55	K	94.3	Very high	96.4	Very high	152 Å²	152	62 Å²	62	66%	0.661	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.7	-28.4	175.2	-67.4	-174.5	-178.3	-178.6	0	114.2	N53	N53-K55 PolarHBondContact O-N 3.05Å; N53-K55 PolarHBondContact OD1-N 2.82Å; N53-K55 VanDerWaalsContact OD1-N 3.15Å
56	F	95.9	Very high	96.4	Very high	11 Å²	11	67.2 Å²	67.2	5%	0.048	37%	0.369	C	S	.	.	T	Hydrogen-bonded Turn	trans	-111.9	-7.4	-172.8	-63	-82.5	0	0	0	113.4	K30 E38 I40 N53 E54 S58 K59 A60	K30-F56 HydrophobicContact CD-CE1 4.03Å; K30-F56 HydrophobicContact CD-CZ 4.19Å; E38-F56 HydrophobicContact CB-CE2 4.41Å; E38-F56 HydrophobicContact CB-CZ 4.32Å; I40-F56 HydrophobicContact CB-CB 4.45Å; I40-F56 HydrophobicContact CB-CD2 4.31Å; I40-F56 HydrophobicContact CB-CG 4.23Å; I40-F56 HydrophobicContact CG1-CD1 4.2Å; I40-F56 HydrophobicContact CG1-CD2 4.25Å; I40-F56 HydrophobicContact CG1-CE1 4.25Å; I40-F56 HydrophobicContact CG1-CE2 4.3Å; I40-F56 HydrophobicContact CG1-CG 4.2Å; I40-F56 HydrophobicContact CG1-CZ 4.3Å; I40-F56 HydrophobicContact CG2-CB 3.62Å; I40-F56 HydrophobicContact CG2-CD1 4.2Å; I40-F56 HydrophobicContact CG2-CD2 4.37Å; I40-F56 HydrophobicContact CG2-CG 3.82Å; N53-F56 HydrophobicContact CB-CD2 4.04Å; N53-F56 PolarHBondContact O-N 3.49Å; E54-F56 PolarHBondContact O-N 2.81Å; F56-S58 VanDerWaalsContact C-N 3.26Å; F56-S58 PolarHBondContact O-N 2.83Å; F56-K59 PolarHBondContact O-N 3.06Å; F56-A60 HydrophobicContact CB-CB 4.39Å; F56-A60 PolarHBondContact O-N 2.94Å
57	K	94.5	Very high	96.3	Very high	113 Å²	113	68 Å²	68	49%	0.491	38%	0.382	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.9	-31.5	-172.7	-169.9	175.2	-176.2	177.6	0	114.2	Y52 N53 E54	Y52-K57 HydrophobicContact CG-CG 4.41Å; N53-K57 PolarHBondContact O-N 3.49Å; E54-K57 PolarHBondContact O-N 2.98Å; E54-K57 IonicContact OE1-NZ 3.83Å; E54-K57 PolarHBondContact OE1-NZ 3.15Å; E54-K57 VanDerWaalsContact OE2-CD 3.23Å; E54-K57 WeakPolarHBondContact OE2-CD 3.4Å; E54-K57 IonicContact OE2-NZ 3.45Å; E54-K57 PolarHBondContact OE2-NZ 3.04Å
58	S	95	Very high	96.4	Very high	112 Å²	112	66 Å²	66	78%	0.783	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.2	-11.8	175.1	58.2	0	0	0	0	113.9	F56	F56-S58 VanDerWaalsContact C-N 3.26Å; F56-S58 PolarHBondContact O-N 2.83Å
59	K	95.8	Very high	96.5	Very high	41 Å²	41	66.1 Å²	66.1	18%	0.178	36%	0.363	C	S	.	.	T	Hydrogen-bonded Turn	trans	-113.4	-29.9	-168.7	-163.1	167.2	-165.7	170.7	0	113.7	F56 L75 S76 D82	F56-K59 PolarHBondContact O-N 3.06Å; K59-L75 WeakPolarHBondContact O-CA 3.43Å; K59-S76 WeakPolarHBondContact CE-O 3.36Å; K59-S76 WeakPolarHBondContact CG-O 3.44Å; K59-S76 PolarHBondContact O-N 2.03Å; K59-S76 PolarHBondContact O-OG 2.78Å; K59-D82 WeakPolarHBondContact CE-OD1 3.38Å; K59-D82 WeakPolarHBondContact CE-OD2 3.16Å; K59-D82 IonicContact NZ-OD1 3.28Å; K59-D82 PolarHBondContact NZ-OD1 2.94Å; K59-D82 IonicContact NZ-OD2 3.56Å; K59-D82 PolarHBondContact NZ-OD2 2.87Å
60	A	97.8	Very high	96.6	Very high	2 Å²	2	63.7 Å²	63.7	2%	0.017	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	132.4	-176.6	0	0	0	0	0	110.9	I40 Y52 F56 M73 Q74 L75	I40-A60 HydrophobicContact CG2-CB 3.7Å; Y52-A60 HydrophobicContact CE1-CB 4.43Å; Y52-A60 VanDerWaalsContact CE1-O 3.26Å; Y52-A60 WeakPolarHBondContact CE1-O 3.42Å; F56-A60 HydrophobicContact CB-CB 4.39Å; F56-A60 PolarHBondContact O-N 2.94Å; A60-M73 HydrophobicContact CB-CG 4.3Å; A60-M73 HydrophobicContact CB-SD 4.32Å; A60-Q74 CarbonylContact C-O 3.54Å; A60-Q74 WeakPolarHBondContact CA-O 3.15Å; A60-L75 HydrophobicContact CB-CD2 3.95Å
61	T	98.3	Very high	96.6	Very high	73 Å²	73	60.8 Å²	60.8	45%	0.448	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	119.3	170	-58.5	0	0	0	0	109.1	T63 M73 Q74	T61-T63 HydrophobicContact CG2-CG2 4.32Å; T61-M73 WeakPolarHBondContact O-CA 2.99Å; T61-Q74 PolarHBondContact N-O 2.8Å; T61-Q74 PolarHBondContact O-N 3.28Å
62	L	98.5	Very high	96.7	Very high	9 Å²	9	58.8 Å²	58.8	5%	0.047	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	131.5	178.5	-53.5	-174.8	0	0	0	110.9	W28 I43 T50 Y52 Y72 M73	W28-L62 VanDerWaalsContact CD1-CD2 3.43Å; W28-L62 HydrophobicContact CG-CD2 4.05Å; I43-L62 HydrophobicContact CB-CB 4.09Å; I43-L62 HydrophobicContact CB-CD1 4.36Å; I43-L62 HydrophobicContact CD1-CB 4.18Å; I43-L62 HydrophobicContact CG2-CB 4.29Å; T50-L62 HydrophobicContact CG2-CB 4.23Å; Y52-L62 HydrophobicContact CE1-CD1 3.98Å; Y52-L62 HydrophobicContact CE1-CG 3.65Å; Y52-L62 PolarHBondContact OH-N 2.89Å; L62-Y72 WeakPolarHBondContact CA-O 3.46Å; L62-M73 HydrophobicContact CD2-CB 3.71Å; L62-M73 HydrophobicContact CD2-CG 3.66Å; L62-M73 HydrophobicContact CD2-SD 4.26Å
63	T	98.3	Very high	96.7	Very high	56 Å²	56	56.8 Å²	56.8	34%	0.344	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	163.9	176.7	56.5	0	0	0	0	110.8	T61 Y72	T61-T63 HydrophobicContact CG2-CG2 4.32Å; T63-Y72 PolarHBondContact N-O 3.2Å; T63-Y72 PolarHBondContact O-N 2.83Å
64	V	97.9	Very high	96.8	Very high	39 Å²	39	58.7 Å²	58.7	24%	0.236	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	144	177.7	-69.5	0	0	0	0	110.6	F21 I43 P45 T70 A71	F21-V64 HydrophobicContact CZ-CG1 4.33Å; I43-V64 HydrophobicContact CD1-CG1 3.83Å; I43-V64 HydrophobicContact CD1-CG2 4.31Å; I43-V64 HydrophobicContact CG1-CG1 3.95Å; I43-V64 HydrophobicContact CG2-CG1 3.82Å; P45-V64 HydrophobicContact CB-CB 4.41Å; P45-V64 HydrophobicContact CB-CG1 4.05Å; P45-V64 HydrophobicContact CG-CG1 4.21Å; V64-T70 WeakPolarHBondContact CA-O 2.98Å; V64-A71 HydrophobicContact CG1-CB 4.26Å
65	D	97	Very high	96.9	Very high	55 Å²	55	52.6 Å²	52.6	29%	0.294	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	108.2	164.1	174.4	8.5	0	0	0	108.3	S67 S68 S69 T70 Y72	D65-S67 VanDerWaalsContact C-N 3.31Å; D65-S67 PolarHBondContact O-N 2.91Å; D65-S67 WeakPolarHBondContact OD1-CB 3.44Å; D65-S67 PolarHBondContact OD1-N 2.88Å; D65-S67 PolarHBondContact OD1-OG 3.44Å; D65-S67 PolarHBondContact OD2-OG 3.19Å; D65-S68 WeakPolarHBondContact CB-OG 3.48Å; D65-S68 PolarHBondContact OD1-N 3.08Å; D65-S68 VanDerWaalsContact OD2-CB 3.29Å; D65-S68 WeakPolarHBondContact OD2-CB 3.44Å; D65-S68 PolarHBondContact OD2-OG 2.99Å; D65-S69 WeakPolarHBondContact O-CA 3.05Å; D65-S69 PolarHBondContact O-N 3.28Å; D65-S69 VanDerWaalsContact O-N 3.11Å; D65-T70 PolarHBondContact N-O 2.82Å; D65-T70 PolarHBondContact O-N 3.4Å; D65-Y72 HydrophobicContact CB-CE2 3.87Å
66	K	94.9	Very high	97	Very high	109 Å²	109	47.1 Å²	47.1	47%	0.474	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.1	-33.3	-178.5	-55.8	-173.7	-168.3	-165.5	0	111.7	P45 N46 S69	P45-K66 WeakPolarHBondContact O-CE 3.33Å; N46-K66 PolarHBondContact O-NZ 2.61Å; K66-S69 PolarHBondContact O-N 3Å
67	S	94.4	Very high	97	Very high	110 Å²	110	50.5 Å²	50.5	77%	0.769	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.3	-39.9	-175.6	72.3	0	0	0	0	111.7	D65	D65-S67 VanDerWaalsContact C-N 3.31Å; D65-S67 PolarHBondContact O-N 2.91Å; D65-S67 WeakPolarHBondContact OD1-CB 3.44Å; D65-S67 PolarHBondContact OD1-N 2.88Å; D65-S67 PolarHBondContact OD1-OG 3.44Å; D65-S67 PolarHBondContact OD2-OG 3.19Å
68	S	96.6	Very high	97.1	Very high	36 Å²	36	45.1 Å²	45.1	25%	0.252	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.1	-0.4	176.6	67.2	0	0	0	0	113.8	D65 T70	D65-S68 WeakPolarHBondContact CB-OG 3.48Å; D65-S68 PolarHBondContact OD1-N 3.08Å; D65-S68 VanDerWaalsContact OD2-CB 3.29Å; D65-S68 WeakPolarHBondContact OD2-CB 3.44Å; D65-S68 PolarHBondContact OD2-OG 2.99Å; S68-T70 VanDerWaalsContact C-N 3.28Å; S68-T70 PolarHBondContact O-N 2.89Å; S68-T70 PolarHBondContact O-OG1 3.21Å; S68-T70 WeakPolarHBondContact OG-CB 3.01Å; S68-T70 PolarHBondContact OG-OG1 2.88Å
69	S	96.8	Very high	97.1	Very high	40 Å²	40	42.5 Å²	42.5	28%	0.28	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	51.9	45.4	-173	-63.2	0	0	0	0	112.8	A16 D65 K66	A16-S69 WeakPolarHBondContact CB-O 3.23Å; A16-S69 PolarHBondContact N-O 3.4Å; D65-S69 WeakPolarHBondContact O-CA 3.05Å; D65-S69 PolarHBondContact O-N 3.28Å; D65-S69 VanDerWaalsContact O-N 3.11Å; K66-S69 PolarHBondContact O-N 3Å
70	T	97.9	Very high	97.1	Very high	7 Å²	7	44.5 Å²	44.5	4%	0.043	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	128	-174.6	-51.9	0	0	0	0	111.1	C14 K15 V64 D65 S68 Y72	C14-T70 WeakPolarHBondContact O-CA 3.48Å; K15-T70 HydrophobicContact CB-CG2 4.42Å; V64-T70 WeakPolarHBondContact CA-O 2.98Å; D65-T70 PolarHBondContact N-O 2.82Å; D65-T70 PolarHBondContact O-N 3.4Å; S68-T70 VanDerWaalsContact C-N 3.28Å; S68-T70 PolarHBondContact O-N 2.89Å; S68-T70 PolarHBondContact O-OG1 3.21Å; S68-T70 WeakPolarHBondContact OG-CB 3.01Å; S68-T70 PolarHBondContact OG-OG1 2.88Å; T70-Y72 HydrophobicContact CG2-CD1 4.22Å; T70-Y72 HydrophobicContact CG2-CD2 4.29Å; T70-Y72 HydrophobicContact CG2-CE1 3.65Å; T70-Y72 HydrophobicContact CG2-CE2 3.71Å
71	A	97.9	Very high	96.9	Very high	0 Å²	0	50.6 Å²	50.6	0%	0	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	147.3	166	0	0	0	0	0	109.7	S13 C14 F21 M26 W28 V64	S13-A71 CarbonylContact C-O 3.52Å; S13-A71 WeakPolarHBondContact CA-O 3.4Å; C14-A71 PolarHBondContact N-O 2.96Å; C14-A71 PolarHBondContact O-N 2.93Å; F21-A71 HydrophobicContact CE2-CB 4.38Å; F21-A71 HydrophobicContact CZ-CB 3.98Å; M26-A71 HydrophobicContact CB-CB 4.01Å; M26-A71 HydrophobicContact CG-CB 4.04Å; W28-A71 HydrophobicContact CZ2-CB 4.39Å; V64-A71 HydrophobicContact CG1-CB 4.26Å
72	Y	98.3	Very high	96.8	Very high	51 Å²	51	47.4 Å²	47.4	20%	0.2	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	147.1	177	-57.6	-87.5	0	0	0	111.2	K11 L12 S13 L62 T63 D65 T70	K11-Y72 HydrophobicContact CD-CD1 4.28Å; K11-Y72 VanDerWaalsContact CE-CD1 3.43Å; K11-Y72 VanDerWaalsContact CE-CG 3.4Å; K11-Y72 HydrophobicContact CG-CD1 4.2Å; L12-Y72 CarbonylContact O-C 3.47Å; L12-Y72 WeakPolarHBondContact O-CA 3.42Å; S13-Y72 VanDerWaalsContact CB-CD1 3.48Å; S13-Y72 VanDerWaalsContact CB-CE1 3.43Å; L62-Y72 WeakPolarHBondContact CA-O 3.46Å; T63-Y72 PolarHBondContact N-O 3.2Å; T63-Y72 PolarHBondContact O-N 2.83Å; D65-Y72 HydrophobicContact CB-CE2 3.87Å; T70-Y72 HydrophobicContact CG2-CD1 4.22Å; T70-Y72 HydrophobicContact CG2-CD2 4.29Å; T70-Y72 HydrophobicContact CG2-CE1 3.65Å; T70-Y72 HydrophobicContact CG2-CE2 3.71Å
73	M	98.3	Very high	96.7	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	120.3	166.6	176.9	179.5	69.4	0	0	108.4	L12 W28 I40 A60 T61 L62 L75 Y86	L12-M73 HydrophobicContact CD1-CE 3.75Å; L12-M73 PolarHBondContact N-O 3.3Å; L12-M73 PolarHBondContact O-N 2.9Å; W28-M73 HydrophobicContact CB-SD 3.81Å; W28-M73 HydrophobicContact CD2-CB 3.56Å; W28-M73 HydrophobicContact CD2-CE 4.3Å; W28-M73 HydrophobicContact CD2-CG 4.4Å; W28-M73 HydrophobicContact CD2-SD 4.09Å; W28-M73 HydrophobicContact CE3-CB 3.88Å; W28-M73 HydrophobicContact CE3-CE 3.79Å; W28-M73 HydrophobicContact CE3-SD 4.19Å; W28-M73 HydrophobicContact CG-CB 4.02Å; W28-M73 HydrophobicContact CG-SD 3.95Å; W28-M73 HydrophobicContact CH2-CB 4.13Å; W28-M73 HydrophobicContact CZ2-CB 3.85Å; W28-M73 HydrophobicContact CZ3-CB 4.14Å; W28-M73 HydrophobicContact CZ3-CE 4.34Å; I40-M73 HydrophobicContact CD1-CE 3.89Å; I40-M73 HydrophobicContact CD1-SD 3.55Å; I40-M73 VanDerWaalsContact CD1-SD 3.55Å; I40-M73 HydrophobicContact CG2-SD 3.91Å; A60-M73 HydrophobicContact CB-CG 4.3Å; A60-M73 HydrophobicContact CB-SD 4.32Å; T61-M73 WeakPolarHBondContact O-CA 2.99Å; L62-M73 HydrophobicContact CD2-CB 3.71Å; L62-M73 HydrophobicContact CD2-CG 3.66Å; L62-M73 HydrophobicContact CD2-SD 4.26Å; M73-L75 HydrophobicContact CE-CD1 3.83Å; M73-L75 HydrophobicContact CE-CD2 4.13Å; M73-L75 HydrophobicContact CE-CG 3.92Å; M73-L75 HydrophobicContact CG-CD2 4.36Å; M73-L75 HydrophobicContact CG-CG 4.35Å; M73-L75 HydrophobicContact SD-CD2 4.05Å; M73-L75 HydrophobicContact SD-CG 4.35Å; M73-Y86 HydrophobicContact CE-CD1 3.59Å; M73-Y86 HydrophobicContact CE-CE1 4.03Å; M73-Y86 HydrophobicContact CE-CG 4.31Å
74	Q	98.2	Very high	96.7	Very high	87 Å²	87	46.2 Å²	46.2	41%	0.407	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	124.7	169.3	-175.8	174.1	0.5	0	0	109.1	V10 A60 T61	V10-Q74 CarbonylContact O-C 3.55Å; V10-Q74 VanDerWaalsContact O-CA 3.25Å; V10-Q74 WeakPolarHBondContact O-CA 3.47Å; A60-Q74 CarbonylContact C-O 3.54Å; A60-Q74 WeakPolarHBondContact CA-O 3.15Å; T61-Q74 PolarHBondContact N-O 2.8Å; T61-Q74 PolarHBondContact O-N 3.28Å
75	L	97.6	Very high	96.7	Very high	1 Å²	1	46.1 Å²	46.1	1%	0.005	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	129.3	171.2	-64.6	167.5	0	0	0	108.8	S9 V10 K59 A60 M73 L78 Y86 L108	S9-L75 CarbonylContact C-O 3.56Å; S9-L75 WeakPolarHBondContact CA-O 3.25Å; S9-L75 WeakPolarHBondContact CB-O 3.21Å; V10-L75 HydrophobicContact CG1-CB 3.93Å; V10-L75 HydrophobicContact CG1-CD1 4.22Å; V10-L75 PolarHBondContact N-O 2.84Å; V10-L75 PolarHBondContact O-N 2.81Å; K59-L75 WeakPolarHBondContact O-CA 3.43Å; A60-L75 HydrophobicContact CB-CD2 3.95Å; M73-L75 HydrophobicContact CE-CD1 3.83Å; M73-L75 HydrophobicContact CE-CD2 4.13Å; M73-L75 HydrophobicContact CE-CG 3.92Å; M73-L75 HydrophobicContact CG-CD2 4.36Å; M73-L75 HydrophobicContact CG-CG 4.35Å; M73-L75 HydrophobicContact SD-CD2 4.05Å; M73-L75 HydrophobicContact SD-CG 4.35Å; L75-L78 HydrophobicContact CB-CD2 3.75Å; L75-L78 HydrophobicContact CD1-CD2 4.3Å; L75-Y86 HydrophobicContact CD1-CD1 4.28Å; L75-Y86 HydrophobicContact CD1-CE1 3.59Å; L75-Y86 HydrophobicContact CD1-CE2 4.25Å; L75-L108 HydrophobicContact CD1-CD2 4.14Å
76	S	96.9	Very high	96.8	Very high	37 Å²	37	43.7 Å²	43.7	26%	0.259	26%	0.255	S	S	.	.			trans	-106.3	159	179.2	58	0	0	0	0	112.2	S9 K59 L78	S9-S76 WeakPolarHBondContact OG-CA 3.25Å; K59-S76 WeakPolarHBondContact CE-O 3.36Å; K59-S76 WeakPolarHBondContact CG-O 3.44Å; K59-S76 PolarHBondContact O-N 2.03Å; K59-S76 PolarHBondContact O-OG 2.78Å; S76-L78 VanDerWaalsContact C-N 3.34Å; S76-L78 PolarHBondContact O-N 2.83Å
77	S	96.1	Very high	96.9	Very high	82 Å²	82	40.6 Å²	40.6	57%	0.573	24%	0.241	S	C	*	.	S	Bend	trans	49.2	53.2	172	-57.1	0	0	0	0	112.8	A8	A8-S77 PolarHBondContact O-N 2.79Å
78	L	96.6	Very high	97	Very high	1 Å²	1	36.1 Å²	36.1	1%	0.005	21%	0.209	C	C	.	.			trans	-63.5	141.5	-172.8	-70.3	173.3	0	0	0	112.4	V4 P6 G7 A8 V10 L75 S76 D82 L108 V110	V4-L78 HydrophobicContact CG2-CD1 3.49Å; V4-L78 VanDerWaalsContact CG2-CD1 3.49Å; P6-L78 CarbonylContact C-O 3.6Å; P6-L78 WeakPolarHBondContact CA-O 3.13Å; G7-L78 PolarHBondContact N-O 2.96Å; A8-L78 WeakPolarHBondContact O-CB 3.32Å; A8-L78 WeakPolarHBondContact O-CG 3.44Å; A8-L78 PolarHBondContact O-N 3.12Å; V10-L78 HydrophobicContact CB-CD1 4.15Å; V10-L78 HydrophobicContact CG1-CD1 3.78Å; V10-L78 HydrophobicContact CG1-CD2 4.48Å; L75-L78 HydrophobicContact CB-CD2 3.75Å; L75-L78 HydrophobicContact CD1-CD2 4.3Å; S76-L78 VanDerWaalsContact C-N 3.34Å; S76-L78 PolarHBondContact O-N 2.83Å; L78-D82 VanDerWaalsContact CA-OD2 3.3Å; L78-D82 WeakPolarHBondContact CA-OD2 3.33Å; L78-D82 HydrophobicContact CD2-CB 3.74Å; L78-D82 WeakPolarHBondContact CD2-OD2 3.37Å; L78-L108 HydrophobicContact CD1-CD2 4.18Å; L78-L108 HydrophobicContact CD2-CD2 4.06Å; L78-V110 HydrophobicContact CB-CG1 4.15Å; L78-V110 HydrophobicContact CB-CG2 4.04Å; L78-V110 HydrophobicContact CD1-CG2 4.27Å
79	T	96.2	Very high	97	Very high	56 Å²	56	34.4 Å²	34.4	34%	0.344	20%	0.198	S	C	.	.			trans	-122.4	167.3	174.2	65.6	0	0	0	0	109.7	E81 D82 V110	T79-E81 PolarHBondContact O-N 3.5Å; T79-E81 VanDerWaalsContact O-N 3.1Å; T79-D82 PolarHBondContact N-OD2 2.86Å; T79-D82 WeakPolarHBondContact O-CB 3.47Å; T79-D82 PolarHBondContact O-N 2.86Å; T79-D82 PolarHBondContact OG1-OD2 3Å; T79-V110 VanDerWaalsContact O-CB 3.32Å; T79-V110 WeakPolarHBondContact O-CB 3.33Å; T79-V110 WeakPolarHBondContact O-CG1 3.08Å; T79-V110 WeakPolarHBondContact O-CG2 3.42Å
80	S	95	Very high	96.7	Very high	83 Å²	83	35 Å²	35	58%	0.58	19%	0.194	S	C	*	.	G	3₁₀ helix	trans	-53.8	-31.4	176.4	51.2	0	0	0	0	112.8	D82 S83	S80-D82 PolarHBondContact O-N 2.85Å; S80-S83 VanDerWaalsContact O-CB 3.27Å; S80-S83 WeakPolarHBondContact O-CB 3.26Å; S80-S83 PolarHBondContact O-N 2.94Å; S80-S83 PolarHBondContact O-OG 3.02Å
81	E	93.6	Very high	96.3	Very high	131 Å²	131	35.4 Å²	35.4	61%	0.612	20%	0.196	S	C	*	.	G	3₁₀ helix	trans	-66.8	-14.1	177.2	-59.7	-176.5	174	0	0	114.5	K30 R32 T79 S83	K30-E81 PolarHBondContact NZ-O 3.08Å; R32-E81 PolarHBondContact NE-O 2.9Å; T79-E81 PolarHBondContact O-N 3.5Å; T79-E81 VanDerWaalsContact O-N 3.1Å; E81-S83 VanDerWaalsContact C-N 3.3Å
82	D	95.9	Very high	95.3	Very high	5 Å²	5	36.1 Å²	36.1	3%	0.027	20%	0.203	C	C	.	.	G	3₁₀ helix	trans	-82.8	-7.9	172.7	-58.7	-48.1	0	0	0	113.3	K30 K59 L78 T79 S80 A84 Y86 V110	K30-D82 IonicContact NZ-OD1 2.8Å; K59-D82 WeakPolarHBondContact CE-OD1 3.38Å; K59-D82 WeakPolarHBondContact CE-OD2 3.16Å; K59-D82 IonicContact NZ-OD1 3.28Å; K59-D82 PolarHBondContact NZ-OD1 2.94Å; K59-D82 IonicContact NZ-OD2 3.56Å; K59-D82 PolarHBondContact NZ-OD2 2.87Å; L78-D82 VanDerWaalsContact CA-OD2 3.3Å; L78-D82 WeakPolarHBondContact CA-OD2 3.33Å; L78-D82 HydrophobicContact CD2-CB 3.74Å; L78-D82 WeakPolarHBondContact CD2-OD2 3.37Å; T79-D82 PolarHBondContact N-OD2 2.86Å; T79-D82 WeakPolarHBondContact O-CB 3.47Å; T79-D82 PolarHBondContact O-N 2.86Å; T79-D82 PolarHBondContact OG1-OD2 3Å; S80-D82 PolarHBondContact O-N 2.85Å; D82-A84 PolarHBondContact O-N 2.88Å; D82-Y86 WeakPolarHBondContact O-CE2 3.26Å; D82-Y86 PolarHBondContact O-OH 2.82Å; D82-V110 HydrophobicContact CB-CG2 4.16Å
83	S	97.3	Very high	93.7	Very high	35 Å²	35	38.1 Å²	38.1	25%	0.245	23%	0.225	C	C	.	.			trans	-62.1	113.2	173.7	-57.4	0	0	0	0	110.2	S80 E81 L108 V110	S80-S83 VanDerWaalsContact O-CB 3.27Å; S80-S83 WeakPolarHBondContact O-CB 3.26Å; S80-S83 PolarHBondContact O-N 2.94Å; S80-S83 PolarHBondContact O-OG 3.02Å; E81-S83 VanDerWaalsContact C-N 3.3Å; S83-L108 CarbonylContact C-O 3.59Å; S83-L108 VanDerWaalsContact CA-O 3.27Å; S83-L108 WeakPolarHBondContact CA-O 3.5Å; S83-V110 PolarHBondContact OG-N 2.86Å
84	A	97.6	Very high	92	Very high	6 Å²	6	41.8 Å²	41.8	5%	0.05	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-168.1	170.7	-170.8	0	0	0	0	0	110.9	K30 Q31 R32 D82 Y86 L108	K30-A84 HydrophobicContact CD-CB 4.22Å; K30-A84 HydrophobicContact CG-CB 3.55Å; Q31-A84 WeakPolarHBondContact O-CA 3.44Å; Q31-A84 VanDerWaalsContact O-CB 3.29Å; Q31-A84 WeakPolarHBondContact O-CB 3.39Å; R32-A84 HydrophobicContact CG-CB 4.32Å; D82-A84 PolarHBondContact O-N 2.88Å; A84-Y86 HydrophobicContact CB-CD2 4.32Å; A84-Y86 HydrophobicContact CB-CE2 3.82Å; A84-L108 PolarHBondContact N-O 3.46Å; A84-L108 PolarHBondContact O-N 3.23Å
85	V	98.2	Very high	89.9	Confident	36 Å²	36	47.6 Å²	47.6	22%	0.218	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	130	160.9	-170.4	0	0	0	0	108.4	Q31 Y87	Q31-V85 PolarHBondContact N-O 2.88Å; Q31-V85 PolarHBondContact O-N 3Å; V85-Y87 HydrophobicContact CB-CE2 3.85Å; V85-Y87 HydrophobicContact CG1-CD1 4.39Å; V85-Y87 HydrophobicContact CG1-CD2 4.33Å; V85-Y87 HydrophobicContact CG1-CE1 3.72Å; V85-Y87 HydrophobicContact CG1-CE2 3.67Å; V85-Y87 WeakPolarHBondContact CG1-OH 3.27Å
86	Y	98.2	Very high	88	Confident	4 Å²	4	53 Å²	53	2%	0.016	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	127.1	177.9	-71.3	-90.9	0	0	0	109.9	L12 V29 K30 I40 M73 L75 D82 A84 G105 T106 L108	L12-Y86 HydrophobicContact CD1-CD1 4.3Å; L12-Y86 HydrophobicContact CD1-CD2 4.11Å; L12-Y86 HydrophobicContact CD1-CG 3.74Å; V29-Y86 CarbonylContact O-C 3.56Å; V29-Y86 WeakPolarHBondContact O-CA 3.35Å; K30-Y86 HydrophobicContact CB-CD1 4.16Å; K30-Y86 HydrophobicContact CB-CE1 3.91Å; K30-Y86 HydrophobicContact CD-CE1 4.05Å; K30-Y86 HydrophobicContact CG-CD1 4.35Å; K30-Y86 HydrophobicContact CG-CE1 3.82Å; I40-Y86 HydrophobicContact CD1-CD1 3.81Å; I40-Y86 HydrophobicContact CD1-CE1 3.79Å; M73-Y86 HydrophobicContact CE-CD1 3.59Å; M73-Y86 HydrophobicContact CE-CE1 4.03Å; M73-Y86 HydrophobicContact CE-CG 4.31Å; L75-Y86 HydrophobicContact CD1-CD1 4.28Å; L75-Y86 HydrophobicContact CD1-CE1 3.59Å; L75-Y86 HydrophobicContact CD1-CE2 4.25Å; D82-Y86 WeakPolarHBondContact O-CE2 3.26Å; D82-Y86 PolarHBondContact O-OH 2.82Å; A84-Y86 HydrophobicContact CB-CD2 4.32Å; A84-Y86 HydrophobicContact CB-CE2 3.82Å; Y86-G105 CarbonylContact O-C 3.42Å; Y86-G105 VanDerWaalsContact O-CA 3.25Å; Y86-G105 WeakPolarHBondContact O-CA 3.44Å; Y86-T106 PolarHBondContact N-O 3.05Å; Y86-T106 PolarHBondContact O-N 2.8Å; Y86-L108 HydrophobicContact CD2-CB 3.85Å; Y86-L108 HydrophobicContact CD2-CD2 4.35Å; Y86-L108 HydrophobicContact CE2-CB 3.76Å; Y86-L108 HydrophobicContact CE2-CD2 3.69Å; Y86-L108 HydrophobicContact CE2-CG 4.34Å
87	Y	97.9	Very high	86.2	Confident	45 Å²	45	61.1 Å²	61.1	18%	0.176	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	148.4	-179.8	-54.6	-88.4	0	0	0	110.4	W28 V29 Q31 L37 V85 W102	W28-Y87 WeakPolarHBondContact CA-O 3.18Å; V29-Y87 PolarHBondContact N-O 3.33Å; V29-Y87 PolarHBondContact O-N 3.1Å; Q31-Y87 HydrophobicContact CB-CD2 4.43Å; Q31-Y87 HydrophobicContact CB-CE2 3.73Å; Q31-Y87 PolarHBondContact OE1-OH 2.82Å; L37-Y87 HydrophobicContact CD2-CE2 4.5Å; V85-Y87 HydrophobicContact CB-CE2 3.85Å; V85-Y87 HydrophobicContact CG1-CD1 4.39Å; V85-Y87 HydrophobicContact CG1-CD2 4.33Å; V85-Y87 HydrophobicContact CG1-CE1 3.72Å; V85-Y87 HydrophobicContact CG1-CE2 3.67Å; V85-Y87 WeakPolarHBondContact CG1-OH 3.27Å; Y87-W102 HydrophobicContact CD2-CZ3 4.47Å; Y87-W102 HydrophobicContact CG-CE3 4.09Å; Y87-W102 HydrophobicContact CG-CZ3 4.21Å
88	C	96.6	Very high	84.8	Confident	15 Å²	15	65.9 Å²	65.9	10%	0.101	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	146.2	158.2	61.5	0	0	0	0	109.7	C14 M26 H27 W28 G103	C14-C88 HydrophobicContact CB-CB 3.45Å; C14-C88 VanDerWaalsContact CB-CB 3.45Å; C14-C88 WeakPolarHBondContact CB-SG 3.42Å; C14-C88 WeakPolarHBondContact SG-CB 3.4Å; C14-C88 CovalentContact SG-SG 2.03Å; C14-C88 PolarHBondContact SG-SG 2.8Å; M26-C88 HydrophobicContact CE-CB 4.3Å; H27-C88 CarbonylContact O-C 3.59Å; H27-C88 WeakPolarHBondContact O-CA 3.43Å; W28-C88 HydrophobicContact CE3-CB 4.4Å; W28-C88 HydrophobicContact CZ3-CB 4.38Å; C88-G103 PolarHBondContact O-N 2.97Å
89	A	95.3	Very high	84	Confident	1 Å²	1	69.2 Å²	69.2	1%	0.008	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	155.3	173.1	0	0	0	0	0	110	M26 H27 F99 Y101 W102	M26-A89 WeakPolarHBondContact CE-O 3.41Å; H27-A89 HydrophobicContact CB-CB 4.5Å; H27-A89 PolarHBondContact N-O 3.4Å; H27-A89 PolarHBondContact O-N 3.18Å; A89-F99 HydrophobicContact CB-CB 4.1Å; A89-F99 HydrophobicContact CB-CD1 3.77Å; A89-F99 HydrophobicContact CB-CE1 4.45Å; A89-F99 HydrophobicContact CB-CG 3.95Å; A89-Y101 CarbonylContact C-O 3.58Å; A89-Y101 WeakPolarHBondContact CA-O 2.86Å; A89-Y101 WeakPolarHBondContact CB-O 3.34Å; A89-W102 HydrophobicContact CB-CD2 3.75Å; A89-W102 HydrophobicContact CB-CE3 3.99Å; A89-W102 HydrophobicContact CB-CG 4.14Å; A89-W102 HydrophobicContact CB-CZ2 4.34Å; A89-W102 HydrophobicContact CB-CZ3 4.36Å
90	R	91.9	Very high	83.2	Confident	53 Å²	53	70.6 Å²	70.6	20%	0.2	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	151.8	173.8	82.7	179.8	-178	-169.1	-3.7	111.9	Y24 W25 M26 D100 Y101	Y24-R90 HydrophobicContact CD1-CG 4.37Å; W25-R90 VanDerWaalsContact O-CA 3.25Å; W25-R90 WeakPolarHBondContact O-CA 3.33Å; M26-R90 HydrophobicContact CE-CB 4.19Å; M26-R90 HydrophobicContact SD-CB 3.81Å; R90-D100 HydrophobicContact CG-CB 4.46Å; R90-D100 PolarHBondContact O-N 3.11Å; R90-Y101 PolarHBondContact N-O 2.59Å
91	T	89.4	Confident	82.9	Confident	15 Å²	15	73 Å²	73	9%	0.092	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	140.8	166.2	58.8	0	0	0	0	110.4	Y24 W25 H27 Y98 F99	Y24-T91 WeakPolarHBondContact CA-O 3.49Å; Y24-T91 WeakPolarHBondContact CB-O 3.32Å; Y24-T91 WeakPolarHBondContact CD1-O 3.32Å; W25-T91 PolarHBondContact N-O 3.02Å; W25-T91 VanDerWaalsContact N-O 3.08Å; W25-T91 PolarHBondContact O-N 2.89Å; W25-T91 VanDerWaalsContact O-N 3.12Å; H27-T91 WeakPolarHBondContact NE2-CG2 3.5Å; H27-T91 PolarHBondContact NE2-OG1 3.39Å; T91-Y98 WeakPolarHBondContact CG2-O 3.45Å; T91-F99 HydrophobicContact CG2-CD1 3.39Å; T91-F99 HydrophobicContact CG2-CE1 3.73Å; T91-F99 HydrophobicContact CG2-CG 4.39Å
92	G	75.9	Confident	82.9	Confident	15 Å²	15	70.6 Å²	70.6	16%	0.155	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.7	156.2	172.2	0	0	0	0	0	113.4	S94 D100	G92-S94 VanDerWaalsContact C-N 3.27Å; G92-S94 PolarHBondContact O-N 3.25Å; G92-D100 PolarHBondContact N-OD2 3.14Å
93	S	65.5	Low	82.9	Confident	92 Å²	92	71.3 Å²	71.3	64%	0.643	34%	0.342	S	S	*	.	S	Bend	trans	-76.3	-11.6	174.2	45.4	0	0	0	0	113.9	N23	N23-S93 PolarHBondContact O-OG 3.46Å
94	S	63.2	Low	82.7	Confident	77 Å²	77	78 Å²	78	54%	0.538	37%	0.37	S	S	.	.	S	Bend	trans	-97.9	102.2	178.8	54.2	0	0	0	0	111.4	G92 L96	G92-S94 VanDerWaalsContact C-N 3.27Å; G92-S94 PolarHBondContact O-N 3.25Å; S94-L96 PolarHBondContact O-N 3.01Å
95	Y	53.8	Low	82.7	Confident	210 Å²	210	79 Å²	79	82%	0.824	38%	0.38	S	S	*	.	S	Bend	trans	29	4.2	161.3	-62.8	-76.7	0	0	0	122.6
96	L	56.4	Low	82.6	Confident	114 Å²	114	79.9 Å²	79.9	60%	0.597	39%	0.386	S	S	*	.			trans	-99.4	105.6	178.3	-64.9	174.8	0	0	0	107.2	S94 Y98	S94-L96 PolarHBondContact O-N 3.01Å; L96-Y98 PolarHBondContact O-N 3.28Å
97	Y	59.8	Low	82.6	Confident	208 Å²	208	82.7 Å²	82.7	82%	0.816	40%	0.403	S	S	*	.			trans	-72.8	17.5	-175.2	-65.9	-84.4	0	0	0	114.4
98	Y	67.3	Low	82.5	Confident	181 Å²	181	80.6 Å²	80.6	71%	0.71	40%	0.395	S	S	*	.	S	Bend	trans	-102.5	143.3	-175	-61.9	-72.4	0	0	0	111.4	T91 L96 D100	T91-Y98 WeakPolarHBondContact CG2-O 3.45Å; L96-Y98 PolarHBondContact O-N 3.28Å; Y98-D100 PolarHBondContact O-N 3.4Å; Y98-D100 VanDerWaalsContact O-N 3.15Å
99	F	79.7	Confident	82.6	Confident	72 Å²	72	82.5 Å²	82.5	32%	0.316	41%	0.407	S	S	.	.			trans	-71.4	104.2	172.6	-65.7	-52.1	0	0	0	110.3	H27 A89 T91 Y101 W102	H27-F99 HydrophobicContact CB-CD1 4.44Å; H27-F99 HydrophobicContact CB-CE1 3.72Å; H27-F99 HydrophobicContact CB-CZ 4.27Å; H27-F99 AromaticContact CD2-CE1 3.65Å; H27-F99 AromaticContact CE1-CE1 3.81Å; H27-F99 AromaticContact CG-CE1 3.35Å; H27-F99 AromaticContact ND1-CE1 3.46Å; H27-F99 WeakPolarHBondContact ND1-CE1 3.48Å; H27-F99 AromaticContact ND1-CZ 3.95Å; H27-F99 AromaticContact NE2-CE1 3.93Å; A89-F99 HydrophobicContact CB-CB 4.1Å; A89-F99 HydrophobicContact CB-CD1 3.77Å; A89-F99 HydrophobicContact CB-CE1 4.45Å; A89-F99 HydrophobicContact CB-CG 3.95Å; T91-F99 HydrophobicContact CG2-CD1 3.39Å; T91-F99 HydrophobicContact CG2-CE1 3.73Å; T91-F99 HydrophobicContact CG2-CG 4.39Å; F99-Y101 PolarHBondContact O-N 3.03Å; F99-W102 HydrophobicContact CB-CZ2 4Å; F99-W102 VanDerWaalsContact CB-NE1 3.26Å; F99-W102 AromaticContact CD2-CE2 3.99Å; F99-W102 HydrophobicContact CD2-CH2 4.07Å; F99-W102 AromaticContact CD2-CZ2 3.31Å; F99-W102 HydrophobicContact CD2-CZ2 3.31Å; F99-W102 HydrophobicContact CE2-CH2 4.32Å; F99-W102 AromaticContact CE2-CZ2 3.99Å; F99-W102 HydrophobicContact CE2-CZ2 3.99Å; F99-W102 AromaticContact CG-CZ2 3.83Å; F99-W102 HydrophobicContact CG-CZ2 3.83Å
100	D	79.7	Confident	82.6	Confident	85 Å²	85	82.8 Å²	82.8	46%	0.455	41%	0.408	S	S	.	.			trans	-69.8	-32.8	-174.2	-59.9	-41	0	0	0	112.7	R90 G92 Y98	R90-D100 HydrophobicContact CG-CB 4.46Å; R90-D100 PolarHBondContact O-N 3.11Å; G92-D100 PolarHBondContact N-OD2 3.14Å; Y98-D100 PolarHBondContact O-N 3.4Å; Y98-D100 VanDerWaalsContact O-N 3.15Å
101	Y	88	Confident	82.7	Confident	133 Å²	133	82.9 Å²	82.9	52%	0.522	42%	0.417	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.5	141.9	-178.4	-174.3	-94.3	0	0	0	111.1	A89 R90 F99	A89-Y101 CarbonylContact C-O 3.58Å; A89-Y101 WeakPolarHBondContact CA-O 2.86Å; A89-Y101 WeakPolarHBondContact CB-O 3.34Å; R90-Y101 PolarHBondContact N-O 2.59Å; F99-Y101 PolarHBondContact O-N 3.03Å
102	W	94	Very high	82.5	Confident	81 Å²	81	89.3 Å²	89.3	31%	0.307	46%	0.463	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	139.5	178	-69.9	75.6	0	0	0	110.7	V29 L37 Y87 A89 F99	V29-W102 HydrophobicContact CB-CH2 4.1Å; V29-W102 HydrophobicContact CB-CZ3 3.82Å; V29-W102 HydrophobicContact CG1-CH2 4.02Å; V29-W102 HydrophobicContact CG1-CZ3 4.03Å; V29-W102 HydrophobicContact CG2-CH2 3.77Å; V29-W102 HydrophobicContact CG2-CZ3 3.84Å; L37-W102 HydrophobicContact CD1-CH2 3.84Å; L37-W102 HydrophobicContact CD1-CZ2 4.31Å; Y87-W102 HydrophobicContact CD2-CZ3 4.47Å; Y87-W102 HydrophobicContact CG-CE3 4.09Å; Y87-W102 HydrophobicContact CG-CZ3 4.21Å; A89-W102 HydrophobicContact CB-CD2 3.75Å; A89-W102 HydrophobicContact CB-CE3 3.99Å; A89-W102 HydrophobicContact CB-CG 4.14Å; A89-W102 HydrophobicContact CB-CZ2 4.34Å; A89-W102 HydrophobicContact CB-CZ3 4.36Å; F99-W102 HydrophobicContact CB-CZ2 4Å; F99-W102 VanDerWaalsContact CB-NE1 3.26Å; F99-W102 AromaticContact CD2-CE2 3.99Å; F99-W102 HydrophobicContact CD2-CH2 4.07Å; F99-W102 AromaticContact CD2-CZ2 3.31Å; F99-W102 HydrophobicContact CD2-CZ2 3.31Å; F99-W102 HydrophobicContact CE2-CH2 4.32Å; F99-W102 AromaticContact CE2-CZ2 3.99Å; F99-W102 HydrophobicContact CE2-CZ2 3.99Å; F99-W102 AromaticContact CG-CZ2 3.83Å; F99-W102 HydrophobicContact CG-CZ2 3.83Å
103	G	94.3	Very high	82.8	Confident	19 Å²	19	93.1 Å²	93.1	20%	0.196	48%	0.478	C	S	.	.			trans	-68.3	161.9	165.2	0	0	0	0	0	111.3	C88 G105	C88-G103 PolarHBondContact O-N 2.97Å; G103-G105 PolarHBondContact O-N 3.41Å
104	Q	94.9	Very high	83.8	Confident	177 Å²	177	93.1 Å²	93.1	83%	0.827	47%	0.469	S	S	*	.			trans	-62.8	-14.7	-179.6	-64.4	-63.6	-24.1	0	0	114
105	G	95.8	Very high	84.9	Confident	26 Å²	26	94 Å²	94	27%	0.268	47%	0.466	S	S	.	.			trans	84.1	152.3	-176.6	0	0	0	0	0	112.8	Y86 G103	Y86-G105 CarbonylContact O-C 3.42Å; Y86-G105 VanDerWaalsContact O-CA 3.25Å; Y86-G105 WeakPolarHBondContact O-CA 3.44Å; G103-G105 PolarHBondContact O-N 3.41Å
106	T	96.8	Very high	86.7	Confident	55 Å²	55	87.2 Å²	87.2	34%	0.337	44%	0.444	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	119.8	175	-64.5	0	0	0	0	108.9	L12 Y86 L108	L12-T106 HydrophobicContact CD2-CG2 4.15Å; Y86-T106 PolarHBondContact N-O 3.05Å; Y86-T106 PolarHBondContact O-N 2.8Å; T106-L108 PolarHBondContact O-N 3.49Å
107	T	97.6	Very high	88.6	Confident	62 Å²	62	85.5 Å²	85.5	38%	0.38	44%	0.435	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.4	123.5	171.3	-48.8	0	0	0	0	110.1	A1 E2	A1-T107 CarbonylContact C-O 3.54Å; A1-T107 WeakPolarHBondContact CA-O 3.29Å; E2-T107 PolarHBondContact N-O 3.26Å
108	L	97.1	Very high	90.5	Very high	1 Å²	1	77.3 Å²	77.3	1%	0.005	41%	0.41	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	131.1	167.9	178.7	67.2	0	0	0	108.1	E2 V4 V10 L75 L78 S83 A84 Y86 T106 V110	E2-L108 HydrophobicContact CB-CD1 4.03Å; E2-L108 HydrophobicContact CG-CD1 4.42Å; E2-L108 CarbonylContact O-C 3.51Å; E2-L108 WeakPolarHBondContact O-CA 3.5Å; V4-L108 HydrophobicContact CG1-CD1 4.39Å; V4-L108 HydrophobicContact CG2-CD1 3.89Å; V10-L108 HydrophobicContact CB-CD1 4.5Å; V10-L108 HydrophobicContact CG1-CD1 4.21Å; V10-L108 HydrophobicContact CG1-CD2 3.88Å; V10-L108 HydrophobicContact CG2-CD1 4.39Å; L75-L108 HydrophobicContact CD1-CD2 4.14Å; L78-L108 HydrophobicContact CD1-CD2 4.18Å; L78-L108 HydrophobicContact CD2-CD2 4.06Å; S83-L108 CarbonylContact C-O 3.59Å; S83-L108 VanDerWaalsContact CA-O 3.27Å; S83-L108 WeakPolarHBondContact CA-O 3.5Å; A84-L108 PolarHBondContact N-O 3.46Å; A84-L108 PolarHBondContact O-N 3.23Å; Y86-L108 HydrophobicContact CD2-CB 3.85Å; Y86-L108 HydrophobicContact CD2-CD2 4.35Å; Y86-L108 HydrophobicContact CE2-CB 3.76Å; Y86-L108 HydrophobicContact CE2-CD2 3.69Å; Y86-L108 HydrophobicContact CE2-CG 4.34Å; T106-L108 PolarHBondContact O-N 3.49Å; L108-V110 HydrophobicContact CD2-CG2 4.49Å; L108-V110 HydrophobicContact CG-CG2 4.34Å
109	T	97.3	Very high	92.2	Very high	56 Å²	56	69.9 Å²	69.9	34%	0.344	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	126.7	175.7	-57.2	0	0	0	0	108.9	E2 L3 V4	E2-T109 PolarHBondContact O-N 2.95Å; L3-T109 WeakPolarHBondContact CA-O 3.29Å; L3-T109 HydrophobicContact CD1-CG2 3.69Å; V4-T109 PolarHBondContact N-O 2.64Å
110	V	96.4	Very high	93.2	Very high	6 Å²	6	69.8 Å²	69.8	4%	0.036	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	106.8	178.3	-170.8	0	0	0	0	108.5	V4 P6 L78 T79 D82 S83 L108	V4-V110 HydrophobicContact CG2-CB 4.42Å; V4-V110 HydrophobicContact CG2-CG1 4.43Å; V4-V110 HydrophobicContact CG2-CG2 3.84Å; V4-V110 VanDerWaalsContact O-CA 3.32Å; V4-V110 WeakPolarHBondContact O-CA 3.49Å; P6-V110 HydrophobicContact CB-CG1 4.45Å; P6-V110 HydrophobicContact CG-CG1 4.17Å; L78-V110 HydrophobicContact CB-CG1 4.15Å; L78-V110 HydrophobicContact CB-CG2 4.04Å; L78-V110 HydrophobicContact CD1-CG2 4.27Å; T79-V110 VanDerWaalsContact O-CB 3.32Å; T79-V110 WeakPolarHBondContact O-CB 3.33Å; T79-V110 WeakPolarHBondContact O-CG1 3.08Å; T79-V110 WeakPolarHBondContact O-CG2 3.42Å; D82-V110 HydrophobicContact CB-CG2 4.16Å; S83-V110 PolarHBondContact OG-N 2.86Å; L108-V110 HydrophobicContact CD2-CG2 4.49Å; L108-V110 HydrophobicContact CG-CG2 4.34Å
111	S	93.9	Very high	94.3	Very high	55 Å²	55	68.5 Å²	68.5	39%	0.385	39%	0.389	S	S	.	.			trans	-143.9	150.7	-179.7	66.7	0	0	0	0	111.5	L3 V4	L3-S111 WeakPolarHBondContact CD1-OG 3.46Å; V4-S111 PolarHBondContact O-N 2.75Å; V4-S111 VanDerWaalsContact O-N 3.08Å
112	S	85.3	Confident	94.9	Very high	151 Å²	151	62.6 Å²	62.6	100%	1.056	38%	0.376	S	S	*	.			trans	-71.5	0	175.8	56.5	0	0	0	0	112.7

Retrieved 112 of 112 residues in 30.5 ms (Link to these results)

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