X5J4S4_MOUSE Loading...

IgG1 heavy chain VDJ region

AlphaFold DB , UniProt , Accession X5J4S4, Species MOUSE (Mus musculus, Mouse), Gene n/a, Length 107 aa.

						>X5J4S4_MOUSE|X5J4S4
PELVKPGASVKISCKASGYAFSSSWMNWVKQRPGKGLEWIGRIYPGDGDTNYNGKFKGKATLTADKSSSTAYMQLSSLTSEDSAVYFCARELPRGYWGQGTTLTVSS
					

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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	P	64.3	Low	89.5	Confident	147 Å²	147	80.1 Å²	80.1	96%	0.955	46%	0.463	S	S	*	.				0	117.1	0	-11.5	29.3	0	0	0	109.6	T102	P1-T102 CarbonylContact C-O 3.51Å; P1-T102 WeakPolarHBondContact CA-O 3.47Å; P1-T102 HydrophobicContact CB-CG2 4.49Å
2	E	80.1	Confident	90.1	Very high	83 Å²	83	73.9 Å²	73.9	39%	0.388	43%	0.427	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	122.4	178.2	-162.8	175.2	166.5	0	0	109.2	V4 V10 T102 L103 T104	E2-V4 HydrophobicContact CG-CG1 3.92Å; E2-V10 VanDerWaalsContact OE1-CG2 3.25Å; E2-V10 WeakPolarHBondContact OE1-CG2 3.29Å; E2-V10 WeakPolarHBondContact OE2-CG2 3.31Å; E2-T102 PolarHBondContact N-O 2.6Å; E2-L103 HydrophobicContact CB-CD1 4.09Å; E2-T104 PolarHBondContact O-N 3.28Å
3	L	88.9	Confident	90.6	Very high	127 Å²	127	73.7 Å²	73.7	67%	0.665	43%	0.433	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-100.2	119.9	176.9	-178.3	66.9	0	0	0	108.8	T104	L3-T104 WeakPolarHBondContact CA-O 3.46Å; L3-T104 HydrophobicContact CD1-CG2 3.84Å
4	V	92.4	Very high	91	Very high	18 Å²	18	69.5 Å²	69.5	11%	0.109	41%	0.409	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	155.1	-175.6	-59	0	0	0	0	111.5	E2 A8 L78 L103 T104 V105 S106	E2-V4 HydrophobicContact CG-CG1 3.92Å; V4-A8 HydrophobicContact CB-CB 4.48Å; V4-L78 HydrophobicContact CB-CD1 4.48Å; V4-L78 HydrophobicContact CG2-CD1 3.57Å; V4-L103 HydrophobicContact CG1-CD1 4.16Å; V4-L103 HydrophobicContact CG2-CD1 3.86Å; V4-T104 PolarHBondContact N-O 2.82Å; V4-V105 HydrophobicContact CG2-CB 4.3Å; V4-V105 HydrophobicContact CG2-CG1 4.36Å; V4-V105 HydrophobicContact CG2-CG2 3.78Å; V4-V105 CarbonylContact O-C 3.36Å; V4-V105 WeakPolarHBondContact O-CA 3.28Å; V4-S106 PolarHBondContact O-N 2.64Å; V4-S106 PolarHBondContact O-OG 2.92Å
5	K	91.7	Very high	91.3	Very high	159 Å²	159	75.4 Å²	75.4	69%	0.691	43%	0.428	S	S	*	.			trans	-81.7	155.2	176	-64.2	-177.4	-179	-179	0	111	A8	K5-A8 WeakPolarHBondContact O-CB 3.49Å; K5-A8 PolarHBondContact O-N 3.01Å
6	P	93.9	Very high	91.3	Very high	67 Å²	67	71.4 Å²	71.4	44%	0.435	41%	0.407	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.7	147.1	171.1	-22.6	35.6	0	0	0	111.3	A8 L78 V105 S106	P6-A8 PolarHBondContact O-N 3.25Å; P6-L78 CarbonylContact C-O 3.6Å; P6-L78 WeakPolarHBondContact CA-O 3.42Å; P6-V105 HydrophobicContact CG-CG1 4.28Å; P6-S106 WeakPolarHBondContact CD-O 3.41Å; P6-S106 WeakPolarHBondContact CG-O 3.35Å
7	G	92.6	Very high	91.3	Very high	51 Å²	51	73.2 Å²	73.2	53%	0.526	43%	0.425	S	S	.	.	T	Hydrogen-bonded Turn	trans	78.6	-13.8	-177.2	0	0	0	0	0	114.8	L78	G7-L78 PolarHBondContact N-O 2.91Å
8	A	94	Very high	91.1	Very high	37 Å²	37	74.1 Å²	74.1	31%	0.306	45%	0.452	S	S	.	.			trans	-65.8	163.8	175.7	0	0	0	0	0	111.9	V4 K5 P6 S77 L78	V4-A8 HydrophobicContact CB-CB 4.48Å; K5-A8 WeakPolarHBondContact O-CB 3.49Å; K5-A8 PolarHBondContact O-N 3.01Å; P6-A8 PolarHBondContact O-N 3.25Å; A8-S77 PolarHBondContact O-N 2.76Å; A8-L78 WeakPolarHBondContact O-CB 3.21Å; A8-L78 VanDerWaalsContact O-CG 3.3Å; A8-L78 WeakPolarHBondContact O-CG 3.25Å; A8-L78 PolarHBondContact O-N 2.84Å
9	S	95.2	Very high	90.8	Very high	69 Å²	69	73.3 Å²	73.3	48%	0.483	44%	0.44	S	S	.	.			trans	-116.1	141.9	169.6	-58.1	0	0	0	0	109.6	L75 S76	S9-L75 CarbonylContact C-O 3.57Å; S9-L75 WeakPolarHBondContact CA-O 3.42Å; S9-L75 WeakPolarHBondContact CB-O 3.3Å; S9-S76 WeakPolarHBondContact OG-CA 3.43Å
10	V	95.3	Very high	90.7	Very high	4 Å²	4	72.6 Å²	72.6	2%	0.024	44%	0.443	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	147.2	178.3	69.7	0	0	0	0	110.3	E2 I12 Q74 L75 L78 L103	E2-V10 VanDerWaalsContact OE1-CG2 3.25Å; E2-V10 WeakPolarHBondContact OE1-CG2 3.29Å; E2-V10 WeakPolarHBondContact OE2-CG2 3.31Å; V10-I12 HydrophobicContact CG1-CG1 4.46Å; V10-I12 HydrophobicContact CG2-CG1 4.48Å; V10-Q74 CarbonylContact O-C 3.59Å; V10-Q74 VanDerWaalsContact O-CA 3.26Å; V10-Q74 WeakPolarHBondContact O-CA 3.42Å; V10-L75 HydrophobicContact CG1-CB 4.04Å; V10-L75 HydrophobicContact CG1-CD1 4.28Å; V10-L75 PolarHBondContact N-O 3.27Å; V10-L75 PolarHBondContact O-N 2.8Å; V10-L78 HydrophobicContact CB-CD1 4.04Å; V10-L78 HydrophobicContact CG1-CD1 3.77Å; V10-L78 HydrophobicContact CG1-CD2 4.49Å; V10-L103 HydrophobicContact CB-CD1 4.42Å; V10-L103 HydrophobicContact CG1-CD1 4.12Å; V10-L103 HydrophobicContact CG1-CD2 3.82Å; V10-L103 HydrophobicContact CG2-CD1 4.26Å
11	K	96.4	Very high	90.8	Very high	119 Å²	119	69.4 Å²	69.4	52%	0.517	42%	0.423	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	111.7	174.6	-173.6	176.9	179.2	-178.8	0	109.6	Y72	K11-Y72 HydrophobicContact CD-CD1 4.29Å; K11-Y72 VanDerWaalsContact CE-CB 3.44Å; K11-Y72 HydrophobicContact CG-CD1 4.27Å
12	I	96.4	Very high	92.2	Very high	6 Å²	6	65.2 Å²	65.2	3%	0.031	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	133.6	177.6	-59.2	167.5	0	0	0	108.2	V10 W28 Y72 M73 L75 Y86 T101	V10-I12 HydrophobicContact CG1-CG1 4.46Å; V10-I12 HydrophobicContact CG2-CG1 4.48Å; I12-W28 HydrophobicContact CB-CH2 4.37Å; I12-W28 HydrophobicContact CB-CZ3 4.18Å; I12-W28 HydrophobicContact CG2-CH2 3.97Å; I12-W28 HydrophobicContact CG2-CZ3 3.65Å; I12-Y72 CarbonylContact O-C 3.52Å; I12-Y72 VanDerWaalsContact O-CA 3.24Å; I12-Y72 WeakPolarHBondContact O-CA 3.36Å; I12-M73 HydrophobicContact CD1-CE 3.75Å; I12-M73 PolarHBondContact N-O 2.99Å; I12-M73 PolarHBondContact O-N 3.15Å; I12-L75 HydrophobicContact CD1-CD1 4.28Å; I12-Y86 HydrophobicContact CD1-CD2 3.96Å; I12-Y86 HydrophobicContact CD1-CG 3.84Å; I12-T101 HydrophobicContact CG2-CG2 4.41Å
13	S	96.7	Very high	92.7	Very high	71 Å²	71	64.2 Å²	64.2	50%	0.497	40%	0.399	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	150.8	178.3	63.2	0	0	0	0	111.8	A71 Y72	S13-A71 CarbonylContact C-O 3.54Å; S13-A71 WeakPolarHBondContact CA-O 3.48Å; S13-Y72 VanDerWaalsContact CB-CE1 3.5Å
14	C	95.9	Very high	92.8	Very high	15 Å²	15	59.4 Å²	59.4	10%	0.101	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	108.6	172.7	176.4	0	0	0	0	109.3	W28 T70 A71 C88	C14-W28 HydrophobicContact CB-CH2 3.72Å; C14-W28 HydrophobicContact CB-CZ2 3.98Å; C14-T70 WeakPolarHBondContact O-CA 3.29Å; C14-A71 PolarHBondContact N-O 3.44Å; C14-A71 PolarHBondContact O-N 3.26Å; C14-C88 HydrophobicContact CB-CB 3.45Å; C14-C88 VanDerWaalsContact CB-CB 3.45Å; C14-C88 WeakPolarHBondContact CB-SG 3.48Å; C14-C88 WeakPolarHBondContact SG-CB 3.02Å; C14-C88 CovalentContact SG-SG 2.02Å; C14-C88 PolarHBondContact SG-SG 2.97Å
15	K	95.3	Very high	92.9	Very high	158 Å²	158	62 Å²	62	69%	0.687	38%	0.384	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-87.2	122.6	178	-173.3	170.7	-176.1	176.9	0	110
16	A	92.4	Very high	93.1	Very high	11 Å²	11	54.6 Å²	54.6	9%	0.091	35%	0.352	C	S	.	.			trans	-81.6	147.1	174.6	0	0	0	0	0	111.2	Y19 F21 M26 S69	A16-Y19 HydrophobicContact CB-CE1 3.81Å; A16-Y19 HydrophobicContact CB-CE2 4.26Å; A16-Y19 WeakPolarHBondContact CB-OH 3.48Å; A16-F21 HydrophobicContact CB-CB 4.09Å; A16-F21 HydrophobicContact CB-CD2 3.38Å; A16-F21 HydrophobicContact CB-CE2 4.08Å; A16-F21 HydrophobicContact CB-CG 4.01Å; A16-M26 HydrophobicContact CB-CE 4.31Å; A16-S69 WeakPolarHBondContact CB-O 3.34Å; A16-S69 PolarHBondContact N-O 3.09Å
17	S	90.3	Very high	93.2	Very high	103 Å²	103	51.9 Å²	51.9	72%	0.72	33%	0.334	S	S	*	.			trans	-147.5	151.4	173.8	59.8	0	0	0	0	110.2	Y19	S17-Y19 WeakPolarHBondContact O-CD1 3.34Å; S17-Y19 PolarHBondContact O-N 2.97Å
18	G	87.1	Confident	93.4	Very high	88 Å²	88	49.6 Å²	49.6	91%	0.907	31%	0.309	S	S	*	.	S	Bend	trans	77.6	11.9	174.6	0	0	0	0	0	116.2
19	Y	85.4	Confident	93.5	Very high	60 Å²	60	48 Å²	48	24%	0.235	30%	0.296	C	S	.	.	S	Bend	trans	-157.2	167.9	173.3	65.2	-83.4	0	0	0	112	A16 S17 F21 M26 R90	A16-Y19 HydrophobicContact CB-CE1 3.81Å; A16-Y19 HydrophobicContact CB-CE2 4.26Å; A16-Y19 WeakPolarHBondContact CB-OH 3.48Å; S17-Y19 WeakPolarHBondContact O-CD1 3.34Å; S17-Y19 PolarHBondContact O-N 2.97Å; Y19-F21 PolarHBondContact O-N 3.1Å; Y19-M26 VanDerWaalsContact OH-CE 3.25Å; Y19-M26 WeakPolarHBondContact OH-CE 3.18Å; Y19-R90 HydrophobicContact CE2-CG 4.14Å
20	A	90.2	Very high	93.6	Very high	59 Å²	59	44.8 Å²	44.8	49%	0.488	27%	0.273	S	S	.	.			trans	-74.3	91.1	175.6	0	0	0	0	0	111.2	S22 S23	A20-S22 VanDerWaalsContact C-N 3.28Å; A20-S22 PolarHBondContact O-N 3.24Å; A20-S23 VanDerWaalsContact CB-OG 3.24Å; A20-S23 WeakPolarHBondContact CB-OG 3.31Å; A20-S23 PolarHBondContact O-N 2.87Å; A20-S23 PolarHBondContact O-OG 3.38Å
21	F	92.1	Very high	93.6	Very high	5 Å²	5	48.1 Å²	48.1	2%	0.022	29%	0.288	C	S	.	.	G	3₁₀ helix	trans	-52.9	-39.3	-176.4	175.9	-112	0	0	0	114.2	A16 Y19 S23 S24 M26 P45 A64 S69 A71	A16-F21 HydrophobicContact CB-CB 4.09Å; A16-F21 HydrophobicContact CB-CD2 3.38Å; A16-F21 HydrophobicContact CB-CE2 4.08Å; A16-F21 HydrophobicContact CB-CG 4.01Å; Y19-F21 PolarHBondContact O-N 3.1Å; F21-S23 PolarHBondContact O-N 2.91Å; F21-S23 VanDerWaalsContact O-N 3.17Å; F21-S24 PolarHBondContact O-N 3.11Å; F21-M26 HydrophobicContact CD2-CE 4.31Å; F21-M26 HydrophobicContact CE2-CE 3.87Å; F21-P45 HydrophobicContact CD1-CB 3.83Å; F21-P45 HydrophobicContact CD1-CG 4.07Å; F21-P45 HydrophobicContact CD2-CG 4.05Å; F21-P45 HydrophobicContact CE1-CB 3.46Å; F21-P45 VanDerWaalsContact CE1-CB 3.46Å; F21-P45 HydrophobicContact CE1-CG 3.64Å; F21-P45 HydrophobicContact CE2-CB 4.37Å; F21-P45 HydrophobicContact CE2-CG 3.61Å; F21-P45 HydrophobicContact CG-CB 4.46Å; F21-P45 HydrophobicContact CG-CG 4.28Å; F21-P45 HydrophobicContact CZ-CB 3.76Å; F21-P45 HydrophobicContact CZ-CG 3.39Å; F21-P45 WeakPolarHBondContact O-CG 3.31Å; F21-A64 HydrophobicContact CE1-CB 4.11Å; F21-A64 HydrophobicContact CZ-CB 3.97Å; F21-S69 VanDerWaalsContact CD1-CA 3.49Å; F21-A71 HydrophobicContact CE2-CB 4.1Å; F21-A71 HydrophobicContact CZ-CB 3.93Å
22	S	93	Very high	93.5	Very high	60 Å²	60	45.8 Å²	45.8	42%	0.42	28%	0.276	S	S	.	.	G	3₁₀ helix	trans	-67.8	-10	178.5	53.1	0	0	0	0	114.6	A20 G46	A20-S22 VanDerWaalsContact C-N 3.28Å; A20-S22 PolarHBondContact O-N 3.24Å; S22-G46 WeakPolarHBondContact O-CA 3.12Å; S22-G46 PolarHBondContact O-N 2.8Å; S22-G46 VanDerWaalsContact O-N 3.14Å
23	S	91.8	Very high	93.1	Very high	62 Å²	62	51.2 Å²	51.2	43%	0.434	31%	0.312	S	S	.	.	G	3₁₀ helix	trans	-115.3	15.7	-176.9	67.2	0	0	0	0	113.5	A20 F21 Y44	A20-S23 VanDerWaalsContact CB-OG 3.24Å; A20-S23 WeakPolarHBondContact CB-OG 3.31Å; A20-S23 PolarHBondContact O-N 2.87Å; A20-S23 PolarHBondContact O-OG 3.38Å; F21-S23 PolarHBondContact O-N 2.91Å; F21-S23 VanDerWaalsContact O-N 3.17Å; S23-Y44 VanDerWaalsContact C-CE2 3.43Å; S23-Y44 WeakPolarHBondContact CA-OH 3.39Å
24	S	91.2	Very high	92.7	Very high	25 Å²	25	52 Å²	52	18%	0.175	33%	0.332	C	S	.	.	S	Bend	trans	-140.4	138.5	-174.3	-64	0	0	0	0	111.7	F21 P45	F21-S24 PolarHBondContact O-N 3.11Å; S24-P45 WeakPolarHBondContact O-CD 3.11Å
25	W	93.7	Very high	92.5	Very high	72 Å²	72	58.2 Å²	58.2	27%	0.273	36%	0.357	S	S	.	.			trans	-65.6	137.9	173	-71.4	96.8	0	0	0	111	R42 Y44 D49 R90	W25-R42 HydrophobicContact CD2-CG 4.27Å; W25-R42 HydrophobicContact CE3-CB 4.01Å; W25-R42 HydrophobicContact CE3-CG 3.46Å; W25-R42 VanDerWaalsContact CE3-CG 3.46Å; W25-R42 HydrophobicContact CZ3-CG 3.78Å; W25-Y44 AromaticContact CD1-CD2 3.96Å; W25-Y44 AromaticContact CD2-CD2 3.92Å; W25-Y44 HydrophobicContact CD2-CD2 3.92Å; W25-Y44 HydrophobicContact CD2-CG 4.31Å; W25-Y44 AromaticContact CE2-CD2 3.81Å; W25-Y44 VanDerWaalsContact CE3-N 3.26Å; W25-Y44 HydrophobicContact CG-CD2 4.03Å; W25-Y44 HydrophobicContact CH2-CG 4.49Å; W25-Y44 HydrophobicContact CZ2-CD2 4.36Å; W25-Y44 HydrophobicContact CZ2-CG 4.21Å; W25-Y44 VanDerWaalsContact CZ3-CB 3.49Å; W25-Y44 AromaticContact NE1-CD2 3.81Å; W25-D49 HydrophobicContact CH2-CB 3.96Å; W25-D49 WeakPolarHBondContact CH2-OD2 3.43Å; W25-D49 WeakPolarHBondContact CZ3-O 3.32Å; W25-R90 WeakPolarHBondContact O-CA 3.38Å; W25-R90 VanDerWaalsContact O-O 3.07Å
26	M	95.6	Very high	92.3	Very high	4 Å²	4	53.4 Å²	53.4	2%	0.02	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	115	167.8	-174.4	67.1	72.7	0	0	109	A16 Y19 F21 R42 I43 A71 C88	A16-M26 HydrophobicContact CB-CE 4.31Å; Y19-M26 VanDerWaalsContact OH-CE 3.25Å; Y19-M26 WeakPolarHBondContact OH-CE 3.18Å; F21-M26 HydrophobicContact CD2-CE 4.31Å; F21-M26 HydrophobicContact CE2-CE 3.87Å; M26-R42 CarbonylContact O-C 3.55Å; M26-R42 WeakPolarHBondContact O-CA 3.4Å; M26-R42 WeakPolarHBondContact O-CB 3.38Å; M26-I43 HydrophobicContact CB-CG2 4.04Å; M26-I43 PolarHBondContact N-O 2.74Å; M26-I43 PolarHBondContact O-N 2.85Å; M26-A71 HydrophobicContact CB-CB 4.14Å; M26-A71 HydrophobicContact CE-CB 4.44Å; M26-A71 HydrophobicContact CG-CB 3.69Å; M26-C88 HydrophobicContact CG-CB 4.39Å; M26-C88 HydrophobicContact SD-CB 3.75Å
27	N	96.5	Very high	92.3	Very high	10 Å²	10	57.3 Å²	57.3	5%	0.053	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	149.5	176.9	-58.5	-90.9	0	0	0	110.4	W39 G41 R42 C88 A89 R90 L92	N27-W39 PolarHBondContact OD1-NE1 3.38Å; N27-G41 CarbonylContact C-O 3.52Å; N27-G41 WeakPolarHBondContact CA-O 3.36Å; N27-R42 HydrophobicContact CB-CB 4.43Å; N27-R42 WeakPolarHBondContact OD1-CB 3.01Å; N27-C88 CarbonylContact O-C 3.53Å; N27-C88 WeakPolarHBondContact O-CA 3.01Å; N27-A89 WeakPolarHBondContact CA-O 3.42Å; N27-A89 HydrophobicContact CB-CB 4.47Å; N27-A89 VanDerWaalsContact CB-O 3.27Å; N27-A89 WeakPolarHBondContact CB-O 3.07Å; N27-A89 PolarHBondContact N-O 3.22Å; N27-A89 PolarHBondContact ND2-O 3.2Å; N27-A89 PolarHBondContact O-N 2.98Å; N27-R90 PolarHBondContact ND2-O 3.07Å; N27-R90 VanDerWaalsContact ND2-O 3.15Å; N27-L92 HydrophobicContact CB-CD1 3.77Å; N27-L92 HydrophobicContact CB-CG 4.19Å
28	W	97.4	Very high	92.6	Very high	3 Å²	3	54.3 Å²	54.3	1%	0.011	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	135	172.6	-70	92.3	0	0	0	110	I12 C14 I40 G41 L62 A71 M73 F87 C88	I12-W28 HydrophobicContact CB-CH2 4.37Å; I12-W28 HydrophobicContact CB-CZ3 4.18Å; I12-W28 HydrophobicContact CG2-CH2 3.97Å; I12-W28 HydrophobicContact CG2-CZ3 3.65Å; C14-W28 HydrophobicContact CB-CH2 3.72Å; C14-W28 HydrophobicContact CB-CZ2 3.98Å; W28-I40 HydrophobicContact CB-CB 4.14Å; W28-I40 HydrophobicContact CB-CD1 4.3Å; W28-I40 WeakPolarHBondContact O-CB 3.21Å; W28-I40 PolarHBondContact O-N 3.47Å; W28-G41 PolarHBondContact N-O 3.26Å; W28-L62 VanDerWaalsContact CD1-CD2 3.47Å; W28-L62 HydrophobicContact CG-CD2 4Å; W28-A71 HydrophobicContact CZ2-CB 4.21Å; W28-M73 HydrophobicContact CB-SD 3.89Å; W28-M73 HydrophobicContact CD2-CB 3.62Å; W28-M73 HydrophobicContact CD2-CE 4.43Å; W28-M73 HydrophobicContact CD2-CG 4.41Å; W28-M73 HydrophobicContact CD2-SD 4.07Å; W28-M73 HydrophobicContact CE3-CB 3.85Å; W28-M73 HydrophobicContact CE3-CE 3.83Å; W28-M73 HydrophobicContact CE3-SD 4.06Å; W28-M73 HydrophobicContact CG-CB 4.14Å; W28-M73 HydrophobicContact CG-SD 4.03Å; W28-M73 HydrophobicContact CH2-CB 4.07Å; W28-M73 HydrophobicContact CZ2-CB 3.87Å; W28-M73 HydrophobicContact CZ3-CB 4.07Å; W28-M73 HydrophobicContact CZ3-CE 4.28Å; W28-F87 WeakPolarHBondContact CA-O 3.03Å; W28-C88 HydrophobicContact CD2-CB 4.49Å; W28-C88 HydrophobicContact CE3-CB 4.27Å; W28-C88 HydrophobicContact CH2-CB 4.38Å; W28-C88 HydrophobicContact CZ3-CB 4.22Å
29	V	96.6	Very high	93	Very high	3 Å²	3	53.3 Å²	53.3	2%	0.018	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	135.6	-172.6	-176.4	0	0	0	0	109.4	L37 E38 Y86 F87 L92 W97	V29-L37 HydrophobicContact CG1-CB 3.8Å; V29-L37 HydrophobicContact CG1-CD2 3.97Å; V29-L37 HydrophobicContact CG1-CG 4.36Å; V29-E38 CarbonylContact C-O 3.58Å; V29-E38 WeakPolarHBondContact CA-O 3.22Å; V29-Y86 CarbonylContact O-C 3.55Å; V29-Y86 WeakPolarHBondContact O-CA 3.39Å; V29-F87 PolarHBondContact N-O 2.78Å; V29-F87 PolarHBondContact O-N 3.03Å; V29-L92 HydrophobicContact CG2-CD1 4.19Å; V29-L92 HydrophobicContact CG2-CD2 4.42Å; V29-W97 HydrophobicContact CB-CH2 4.3Å; V29-W97 HydrophobicContact CB-CZ3 3.89Å; V29-W97 HydrophobicContact CG1-CH2 4.22Å; V29-W97 HydrophobicContact CG1-CZ3 4.11Å; V29-W97 HydrophobicContact CG2-CH2 3.9Å; V29-W97 HydrophobicContact CG2-CZ3 3.81Å
30	K	96.1	Very high	93.5	Very high	3 Å²	3	50.5 Å²	50.5	1%	0.013	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	136.6	174.1	-175.6	178.5	-177.7	177.7	0	109.4	E38 I40 F56 E81 D82 A84 Y86	K30-E38 HydrophobicContact CB-CB 4.37Å; K30-E38 PolarHBondContact N-O 3.03Å; K30-E38 PolarHBondContact O-N 3.13Å; K30-I40 HydrophobicContact CB-CD1 3.98Å; K30-I40 HydrophobicContact CB-CG1 4.14Å; K30-F56 HydrophobicContact CB-CZ 4.43Å; K30-F56 HydrophobicContact CD-CE1 3.95Å; K30-F56 HydrophobicContact CD-CZ 4.03Å; K30-E81 PolarHBondContact NZ-O 2.85Å; K30-D82 IonicContact NZ-OD1 3.93Å; K30-D82 PolarHBondContact NZ-OD1 2.8Å; K30-A84 HydrophobicContact CD-CB 4.19Å; K30-A84 HydrophobicContact CG-CB 3.53Å; K30-Y86 HydrophobicContact CB-CD1 4.13Å; K30-Y86 HydrophobicContact CB-CE1 3.9Å; K30-Y86 HydrophobicContact CD-CE1 3.95Å; K30-Y86 WeakPolarHBondContact CE-OH 3.4Å; K30-Y86 HydrophobicContact CG-CD1 4.26Å; K30-Y86 HydrophobicContact CG-CE1 3.74Å
31	Q	95.8	Very high	93.9	Very high	74 Å²	74	47.7 Å²	47.7	35%	0.346	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	115.6	170.2	-167.8	-179.1	35.6	0	0	109.9	L37 A84 V85 F87	Q31-L37 HydrophobicContact CB-CD2 3.83Å; Q31-L37 HydrophobicContact CG-CD2 3.87Å; Q31-A84 WeakPolarHBondContact O-CA 3.05Å; Q31-A84 VanDerWaalsContact O-CB 3.31Å; Q31-A84 WeakPolarHBondContact O-CB 3.24Å; Q31-V85 PolarHBondContact N-O 2.77Å; Q31-V85 PolarHBondContact O-N 2.81Å; Q31-F87 HydrophobicContact CB-CD2 4.33Å; Q31-F87 HydrophobicContact CB-CE2 3.77Å
32	R	93.4	Very high	94.1	Very high	70 Å²	70	51.8 Å²	51.8	26%	0.264	30%	0.295	S	S	.	.			trans	-87.5	146.9	171.8	-67.9	173.6	171.1	156.1	-12.9	110	G34 K35 E38 E81 A84	R32-G34 PolarHBondContact O-N 2.91Å; R32-K35 HydrophobicContact CB-CB 3.96Å; R32-K35 HydrophobicContact CB-CG 3.95Å; R32-K35 PolarHBondContact O-N 3.45Å; R32-E38 IonicContact CZ-OE2 3.44Å; R32-E38 IonicContact NH1-OE2 3.61Å; R32-E38 PolarHBondContact NH1-OE2 2.94Å; R32-E81 PolarHBondContact NE-O 2.93Å; R32-E81 VanDerWaalsContact NE-O 3.09Å; R32-E81 PolarHBondContact NH2-O 2.85Å; R32-E81 IonicContact NH2-OE2 3.38Å; R32-A84 HydrophobicContact CG-CB 4.2Å
33	P	88.3	Confident	94.3	Very high	120 Å²	120	49.1 Å²	49.1	78%	0.779	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.6	128.3	173.2	-25.6	34.4	0	0	0	111.5	K35	P33-K35 PolarHBondContact O-N 2.81Å
34	G	89.5	Confident	94.5	Very high	88 Å²	88	49.1 Å²	49.1	91%	0.907	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	69.7	10.2	-179.4	0	0	0	0	0	115.6	R32	R32-G34 PolarHBondContact O-N 2.91Å
35	K	90.9	Very high	94.7	Very high	145 Å²	145	48 Å²	48	63%	0.63	26%	0.26	S	S	*	.	S	Bend	trans	-119.7	162	175	-58	-65.9	-176.4	-177.7	0	111.1	R32 P33	R32-K35 HydrophobicContact CB-CB 3.96Å; R32-K35 HydrophobicContact CB-CG 3.95Å; R32-K35 PolarHBondContact O-N 3.45Å; P33-K35 PolarHBondContact O-N 2.81Å
36	G	90.6	Very high	94.8	Very high	56 Å²	56	45.8 Å²	45.8	58%	0.577	26%	0.258	S	S	*	.			trans	-68.5	174.6	173.3	0	0	0	0	0	113.2
37	L	93.4	Very high	94.8	Very high	94 Å²	94	51.2 Å²	51.2	49%	0.492	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	129.7	173.7	-63.9	174.4	0	0	0	110.5	V29 Q31 W97	V29-L37 HydrophobicContact CG1-CB 3.8Å; V29-L37 HydrophobicContact CG1-CD2 3.97Å; V29-L37 HydrophobicContact CG1-CG 4.36Å; Q31-L37 HydrophobicContact CB-CD2 3.83Å; Q31-L37 HydrophobicContact CG-CD2 3.87Å; L37-W97 HydrophobicContact CD1-CH2 3.83Å; L37-W97 HydrophobicContact CD1-CZ2 4.3Å
38	E	95.3	Very high	94.7	Very high	39 Å²	39	52.6 Å²	52.6	18%	0.182	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	112.1	175.3	-64	-171.1	87.5	0	0	109.4	V29 K30 R32 I40 K55 F56	V29-E38 CarbonylContact C-O 3.58Å; V29-E38 WeakPolarHBondContact CA-O 3.22Å; K30-E38 HydrophobicContact CB-CB 4.37Å; K30-E38 PolarHBondContact N-O 3.03Å; K30-E38 PolarHBondContact O-N 3.13Å; R32-E38 IonicContact CZ-OE2 3.44Å; R32-E38 IonicContact NH1-OE2 3.61Å; R32-E38 PolarHBondContact NH1-OE2 2.94Å; E38-I40 PolarHBondContact O-N 2.91Å; E38-K55 IonicContact OE1-NZ 3.58Å; E38-F56 HydrophobicContact CB-CE2 4.43Å; E38-F56 HydrophobicContact CB-CZ 4.38Å
39	W	95.8	Very high	94.7	Very high	68 Å²	68	56.6 Å²	56.6	26%	0.258	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70	127.8	175.7	-177.7	78.5	0	0	0	110.6	N27 G41 R42 N51 N53 L92	N27-W39 PolarHBondContact OD1-NE1 3.38Å; W39-G41 PolarHBondContact NE1-O 2.95Å; W39-R42 HydrophobicContact CZ2-CB 4.03Å; W39-R42 HydrophobicContact CZ2-CG 3.85Å; W39-N51 HydrophobicContact CH2-CB 4.39Å; W39-N51 WeakPolarHBondContact CH2-OD1 3.27Å; W39-N53 HydrophobicContact CE3-CB 3.76Å; W39-N53 HydrophobicContact CZ3-CB 3.95Å; W39-N53 WeakPolarHBondContact O-CB 3.44Å; W39-N53 PolarHBondContact O-ND2 2.79Å; W39-L92 VanDerWaalsContact CD1-CD1 3.46Å
40	I	97.1	Very high	94.7	Very high	0 Å²	0	58.8 Å²	58.8	0%	0	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92	-48.4	-176.8	-60	174.2	0	0	0	110.1	W28 K30 E38 N53 F56 A60 M73 Y86	W28-I40 HydrophobicContact CB-CB 4.14Å; W28-I40 HydrophobicContact CB-CD1 4.3Å; W28-I40 WeakPolarHBondContact O-CB 3.21Å; W28-I40 PolarHBondContact O-N 3.47Å; K30-I40 HydrophobicContact CB-CD1 3.98Å; K30-I40 HydrophobicContact CB-CG1 4.14Å; E38-I40 PolarHBondContact O-N 2.91Å; I40-N53 WeakPolarHBondContact O-CB 3.46Å; I40-N53 PolarHBondContact O-N 3.4Å; I40-F56 HydrophobicContact CB-CD2 4.26Å; I40-F56 HydrophobicContact CB-CG 4.2Å; I40-F56 HydrophobicContact CG1-CD1 4.17Å; I40-F56 HydrophobicContact CG1-CD2 4.24Å; I40-F56 HydrophobicContact CG1-CE1 4.09Å; I40-F56 HydrophobicContact CG1-CE2 4.15Å; I40-F56 HydrophobicContact CG1-CG 4.24Å; I40-F56 HydrophobicContact CG1-CZ 4.07Å; I40-F56 HydrophobicContact CG2-CB 3.71Å; I40-F56 HydrophobicContact CG2-CD1 4.06Å; I40-F56 HydrophobicContact CG2-CD2 4.3Å; I40-F56 HydrophobicContact CG2-CG 3.78Å; I40-A60 HydrophobicContact CG2-CB 3.77Å; I40-M73 HydrophobicContact CD1-CE 4.05Å; I40-M73 HydrophobicContact CD1-SD 3.56Å; I40-M73 VanDerWaalsContact CD1-SD 3.56Å; I40-M73 HydrophobicContact CG2-SD 4.01Å; I40-Y86 HydrophobicContact CD1-CD1 3.69Å; I40-Y86 HydrophobicContact CD1-CE1 3.77Å
41	G	97	Very high	94.7	Very high	0 Å²	0	62.3 Å²	62.3	0%	0	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	169.4	-179.3	-172.7	0	0	0	0	0	111.6	N27 W28 W39 N51	N27-G41 CarbonylContact C-O 3.52Å; N27-G41 WeakPolarHBondContact CA-O 3.36Å; W28-G41 PolarHBondContact N-O 3.26Å; W39-G41 PolarHBondContact NE1-O 2.95Å; G41-N51 CarbonylContact C-O 3.57Å; G41-N51 WeakPolarHBondContact CA-O 3.46Å
42	R	96.9	Very high	94.8	Very high	92 Å²	92	61.5 Å²	61.5	35%	0.347	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.3	154.9	174.2	67.9	-176.5	-174.9	-170.7	-0.1	111.5	W25 M26 N27 W39 T50 N51	W25-R42 HydrophobicContact CD2-CG 4.27Å; W25-R42 HydrophobicContact CE3-CB 4.01Å; W25-R42 HydrophobicContact CE3-CG 3.46Å; W25-R42 VanDerWaalsContact CE3-CG 3.46Å; W25-R42 HydrophobicContact CZ3-CG 3.78Å; M26-R42 CarbonylContact O-C 3.55Å; M26-R42 WeakPolarHBondContact O-CA 3.4Å; M26-R42 WeakPolarHBondContact O-CB 3.38Å; N27-R42 HydrophobicContact CB-CB 4.43Å; N27-R42 WeakPolarHBondContact OD1-CB 3.01Å; W39-R42 HydrophobicContact CZ2-CB 4.03Å; W39-R42 HydrophobicContact CZ2-CG 3.85Å; R42-T50 WeakPolarHBondContact O-CA 3.18Å; R42-N51 HydrophobicContact CG-CB 4.16Å; R42-N51 PolarHBondContact N-O 2.88Å; R42-N51 PolarHBondContact O-N 3.03Å
43	I	97.4	Very high	94.9	Very high	4 Å²	4	60.5 Å²	60.5	2%	0.021	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	139.9	174	-176.8	166	0	0	0	110	M26 P45 D49 T50 L62 A64	M26-I43 HydrophobicContact CB-CG2 4.04Å; M26-I43 PolarHBondContact N-O 2.74Å; M26-I43 PolarHBondContact O-N 2.85Å; I43-P45 WeakPolarHBondContact O-CD 3.38Å; I43-D49 CarbonylContact C-O 3.5Å; I43-D49 VanDerWaalsContact CA-O 3.31Å; I43-D49 WeakPolarHBondContact CA-O 3.4Å; I43-T50 HydrophobicContact CB-CG2 3.98Å; I43-T50 HydrophobicContact CD1-CG2 3.99Å; I43-T50 HydrophobicContact CG1-CG2 3.81Å; I43-L62 HydrophobicContact CB-CB 4.08Å; I43-L62 HydrophobicContact CB-CD1 4.45Å; I43-L62 HydrophobicContact CD1-CB 4.38Å; I43-L62 HydrophobicContact CG2-CB 4.4Å; I43-A64 HydrophobicContact CD1-CB 3.95Å
44	Y	96.4	Very high	95.2	Very high	61 Å²	61	57.7 Å²	57.7	24%	0.239	35%	0.346	C	S	.	.			trans	-98.4	107.7	168	-168.1	-111.8	0	0	0	108.5	S23 W25 G46 D47 G48 D49	S23-Y44 VanDerWaalsContact C-CE2 3.43Å; S23-Y44 WeakPolarHBondContact CA-OH 3.39Å; W25-Y44 AromaticContact CD1-CD2 3.96Å; W25-Y44 AromaticContact CD2-CD2 3.92Å; W25-Y44 HydrophobicContact CD2-CD2 3.92Å; W25-Y44 HydrophobicContact CD2-CG 4.31Å; W25-Y44 AromaticContact CE2-CD2 3.81Å; W25-Y44 VanDerWaalsContact CE3-N 3.26Å; W25-Y44 HydrophobicContact CG-CD2 4.03Å; W25-Y44 HydrophobicContact CH2-CG 4.49Å; W25-Y44 HydrophobicContact CZ2-CD2 4.36Å; W25-Y44 HydrophobicContact CZ2-CG 4.21Å; W25-Y44 VanDerWaalsContact CZ3-CB 3.49Å; W25-Y44 AromaticContact NE1-CD2 3.81Å; Y44-G46 PolarHBondContact O-N 3.34Å; Y44-G46 VanDerWaalsContact O-N 3.11Å; Y44-D47 WeakPolarHBondContact CD1-OD1 2.98Å; Y44-G48 VanDerWaalsContact O-CA 3.27Å; Y44-G48 WeakPolarHBondContact O-CA 3.3Å; Y44-G48 PolarHBondContact O-N 2.93Å; Y44-D49 PolarHBondContact N-O 2.89Å
45	P	95.8	Very high	95.3	Very high	3 Å²	3	60.9 Å²	60.9	2%	0.019	33%	0.334	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.4	-17.6	-173.3	-23.4	35.7	0	0	0	114.4	F21 S24 I43 A64 K66	F21-P45 HydrophobicContact CD1-CB 3.83Å; F21-P45 HydrophobicContact CD1-CG 4.07Å; F21-P45 HydrophobicContact CD2-CG 4.05Å; F21-P45 HydrophobicContact CE1-CB 3.46Å; F21-P45 VanDerWaalsContact CE1-CB 3.46Å; F21-P45 HydrophobicContact CE1-CG 3.64Å; F21-P45 HydrophobicContact CE2-CB 4.37Å; F21-P45 HydrophobicContact CE2-CG 3.61Å; F21-P45 HydrophobicContact CG-CB 4.46Å; F21-P45 HydrophobicContact CG-CG 4.28Å; F21-P45 HydrophobicContact CZ-CB 3.76Å; F21-P45 HydrophobicContact CZ-CG 3.39Å; F21-P45 WeakPolarHBondContact O-CG 3.31Å; S24-P45 WeakPolarHBondContact O-CD 3.11Å; I43-P45 WeakPolarHBondContact O-CD 3.38Å; P45-A64 HydrophobicContact CB-CB 3.77Å; P45-A64 HydrophobicContact CG-CB 4.09Å; P45-K66 VanDerWaalsContact O-CD 3.23Å; P45-K66 WeakPolarHBondContact O-CD 3.01Å; P45-K66 VanDerWaalsContact O-CE 3.28Å; P45-K66 WeakPolarHBondContact O-CE 3.49Å; P45-K66 WeakPolarHBondContact O-CG 3.21Å
46	G	94.8	Very high	95.4	Very high	24 Å²	24	54.6 Å²	54.6	25%	0.247	31%	0.307	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60	-54.4	-179.1	0	0	0	0	0	112.8	S22 Y44 K66	S22-G46 WeakPolarHBondContact O-CA 3.12Å; S22-G46 PolarHBondContact O-N 2.8Å; S22-G46 VanDerWaalsContact O-N 3.14Å; Y44-G46 PolarHBondContact O-N 3.34Å; Y44-G46 VanDerWaalsContact O-N 3.11Å; G46-K66 PolarHBondContact O-NZ 3.23Å
47	D	95.3	Very high	95.5	Very high	118 Å²	118	59.8 Å²	59.8	63%	0.631	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-115.2	-10.1	-178.1	55.7	20.7	0	0	0	113.5	Y44 D49	Y44-D47 WeakPolarHBondContact CD1-OD1 2.98Å; D47-D49 VanDerWaalsContact OD1-CB 3.3Å; D47-D49 WeakPolarHBondContact OD1-CB 3.19Å; D47-D49 PolarHBondContact OD1-N 2.98Å
48	G	95	Very high	95.4	Very high	39 Å²	39	58.6 Å²	58.6	40%	0.402	32%	0.324	S	S	.	.			trans	84.5	11.5	-177.7	0	0	0	0	0	114.1	Y44	Y44-G48 VanDerWaalsContact O-CA 3.27Å; Y44-G48 WeakPolarHBondContact O-CA 3.3Å; Y44-G48 PolarHBondContact O-N 2.93Å
49	D	96.7	Very high	95.4	Very high	88 Å²	88	58.6 Å²	58.6	47%	0.471	32%	0.323	S	S	.	.			trans	-60.2	140	176.6	-172.3	23.8	0	0	0	110.8	W25 I43 Y44 D47	W25-D49 HydrophobicContact CH2-CB 3.96Å; W25-D49 WeakPolarHBondContact CH2-OD2 3.43Å; W25-D49 WeakPolarHBondContact CZ3-O 3.32Å; I43-D49 CarbonylContact C-O 3.5Å; I43-D49 VanDerWaalsContact CA-O 3.31Å; I43-D49 WeakPolarHBondContact CA-O 3.4Å; Y44-D49 PolarHBondContact N-O 2.89Å; D47-D49 VanDerWaalsContact OD1-CB 3.3Å; D47-D49 WeakPolarHBondContact OD1-CB 3.19Å; D47-D49 PolarHBondContact OD1-N 2.98Å
50	T	97.4	Very high	95.5	Very high	49 Å²	49	55.5 Å²	55.5	30%	0.301	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	140.2	-176.2	55.5	0	0	0	0	111.6	R42 I43 Y52 L62	R42-T50 WeakPolarHBondContact O-CA 3.18Å; I43-T50 HydrophobicContact CB-CG2 3.98Å; I43-T50 HydrophobicContact CD1-CG2 3.99Å; I43-T50 HydrophobicContact CG1-CG2 3.81Å; T50-Y52 HydrophobicContact CG2-CE2 4.49Å; T50-Y52 WeakPolarHBondContact OG1-CE2 3.33Å; T50-L62 HydrophobicContact CG2-CB 4.13Å
51	N	96.4	Very high	95.5	Very high	77 Å²	77	58.8 Å²	58.8	41%	0.412	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	138.6	171.4	-175.4	-129.1	0	0	0	109.7	W39 G41 R42	W39-N51 HydrophobicContact CH2-CB 4.39Å; W39-N51 WeakPolarHBondContact CH2-OD1 3.27Å; G41-N51 CarbonylContact C-O 3.57Å; G41-N51 WeakPolarHBondContact CA-O 3.46Å; R42-N51 HydrophobicContact CG-CB 4.16Å; R42-N51 PolarHBondContact N-O 2.88Å; R42-N51 PolarHBondContact O-N 3.03Å
52	Y	97.1	Very high	95.5	Very high	56 Å²	56	59.2 Å²	59.2	22%	0.22	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	147.8	-173.8	-66.6	-91.1	0	0	0	110.6	T50 A60 L62	T50-Y52 HydrophobicContact CG2-CE2 4.49Å; T50-Y52 WeakPolarHBondContact OG1-CE2 3.33Å; Y52-A60 HydrophobicContact CE1-CB 4.37Å; Y52-A60 VanDerWaalsContact CE1-O 3.23Å; Y52-A60 WeakPolarHBondContact CE1-O 3.23Å; Y52-L62 HydrophobicContact CE1-CD1 4.02Å; Y52-L62 HydrophobicContact CE1-CG 3.69Å; Y52-L62 PolarHBondContact OH-N 3.28Å
53	N	95.8	Very high	95.6	Very high	49 Å²	49	57.6 Å²	57.6	26%	0.262	34%	0.335	S	S	.	.			trans	-71	135.3	158.3	-177.6	-23.5	0	0	0	108.8	W39 I40 K55 F56 K57	W39-N53 HydrophobicContact CE3-CB 3.76Å; W39-N53 HydrophobicContact CZ3-CB 3.95Å; W39-N53 WeakPolarHBondContact O-CB 3.44Å; W39-N53 PolarHBondContact O-ND2 2.79Å; I40-N53 WeakPolarHBondContact O-CB 3.46Å; I40-N53 PolarHBondContact O-N 3.4Å; N53-K55 PolarHBondContact O-N 3.23Å; N53-K55 VanDerWaalsContact O-N 3.07Å; N53-K55 PolarHBondContact OD1-N 3.36Å; N53-F56 HydrophobicContact CB-CD2 4.06Å; N53-F56 PolarHBondContact O-N 2.99Å; N53-K57 PolarHBondContact O-N 2.69Å
54	G	93.9	Very high	95.6	Very high	62 Å²	62	59 Å²	59	64%	0.639	35%	0.348	S	S	*	.	G	3₁₀ helix	trans	-51.7	-34.5	-178.4	0	0	0	0	0	113.8	F56 K57	G54-F56 PolarHBondContact O-N 3.19Å; G54-K57 PolarHBondContact O-N 2.93Å
55	K	91.9	Very high	95.6	Very high	154 Å²	154	58.8 Å²	58.8	67%	0.67	35%	0.35	S	S	*	.	G	3₁₀ helix	trans	-62.1	-27.7	177.6	-66.5	-174.1	-178.5	-178.6	0	114.4	E38 N53	E38-K55 IonicContact OE1-NZ 3.58Å; N53-K55 PolarHBondContact O-N 3.23Å; N53-K55 VanDerWaalsContact O-N 3.07Å; N53-K55 PolarHBondContact OD1-N 3.36Å
56	F	94.3	Very high	95.5	Very high	13 Å²	13	64.3 Å²	64.3	6%	0.057	37%	0.374	C	S	.	.	G	3₁₀ helix	trans	-109	-2.3	-174.8	-62.5	-84.8	0	0	0	112.7	K30 E38 I40 N53 G54 G58 K59 A60	K30-F56 HydrophobicContact CB-CZ 4.43Å; K30-F56 HydrophobicContact CD-CE1 3.95Å; K30-F56 HydrophobicContact CD-CZ 4.03Å; E38-F56 HydrophobicContact CB-CE2 4.43Å; E38-F56 HydrophobicContact CB-CZ 4.38Å; I40-F56 HydrophobicContact CB-CD2 4.26Å; I40-F56 HydrophobicContact CB-CG 4.2Å; I40-F56 HydrophobicContact CG1-CD1 4.17Å; I40-F56 HydrophobicContact CG1-CD2 4.24Å; I40-F56 HydrophobicContact CG1-CE1 4.09Å; I40-F56 HydrophobicContact CG1-CE2 4.15Å; I40-F56 HydrophobicContact CG1-CG 4.24Å; I40-F56 HydrophobicContact CG1-CZ 4.07Å; I40-F56 HydrophobicContact CG2-CB 3.71Å; I40-F56 HydrophobicContact CG2-CD1 4.06Å; I40-F56 HydrophobicContact CG2-CD2 4.3Å; I40-F56 HydrophobicContact CG2-CG 3.78Å; N53-F56 HydrophobicContact CB-CD2 4.06Å; N53-F56 PolarHBondContact O-N 2.99Å; G54-F56 PolarHBondContact O-N 3.19Å; F56-G58 PolarHBondContact O-N 2.98Å; F56-K59 PolarHBondContact O-N 2.81Å; F56-A60 HydrophobicContact CB-CB 4.41Å; F56-A60 PolarHBondContact O-N 2.82Å
57	K	92.3	Very high	95.4	Very high	166 Å²	166	68.4 Å²	68.4	72%	0.722	40%	0.399	S	S	*	.	B	Isolated β-bridge	trans	-62.5	124.1	175.7	-165.9	174.1	-176.6	179.4	0	109.2	N53 G54 K59	N53-K57 PolarHBondContact O-N 2.69Å; G54-K57 PolarHBondContact O-N 2.93Å; K57-K59 PolarHBondContact O-N 2.88Å
58	G	91.6	Very high	95.4	Very high	68 Å²	68	64.6 Å²	64.6	70%	0.701	38%	0.381	S	S	*	.	T	Hydrogen-bonded Turn	trans	85.2	-18.9	-175.2	0	0	0	0	0	114.9	F56	F56-G58 PolarHBondContact O-N 2.98Å
59	K	94.6	Very high	95.5	Very high	40 Å²	40	64.6 Å²	64.6	17%	0.174	38%	0.375	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.7	-39.4	173.8	-175.4	70	176.5	-163.8	0	112.2	F56 K57 L75 S76 S77 D82	F56-K59 PolarHBondContact O-N 2.81Å; K57-K59 PolarHBondContact O-N 2.88Å; K59-L75 HydrophobicContact CG-CD2 4.49Å; K59-L75 WeakPolarHBondContact O-CA 3.26Å; K59-S76 WeakPolarHBondContact CD-O 3.48Å; K59-S76 WeakPolarHBondContact CE-O 3.42Å; K59-S76 PolarHBondContact NZ-O 2.93Å; K59-S76 PolarHBondContact O-N 2.02Å; K59-S76 PolarHBondContact O-OG 3.48Å; K59-S77 PolarHBondContact NZ-O 3.2Å; K59-D82 WeakPolarHBondContact CE-OD2 3.44Å; K59-D82 IonicContact NZ-OD2 2.74Å; K59-D82 PolarHBondContact NZ-OD2 3.44Å
60	A	97	Very high	95.5	Very high	3 Å²	3	60.9 Å²	60.9	3%	0.025	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	138	-179.5	0	0	0	0	0	110.9	I40 Y52 F56 M73 Q74 L75	I40-A60 HydrophobicContact CG2-CB 3.77Å; Y52-A60 HydrophobicContact CE1-CB 4.37Å; Y52-A60 VanDerWaalsContact CE1-O 3.23Å; Y52-A60 WeakPolarHBondContact CE1-O 3.23Å; F56-A60 HydrophobicContact CB-CB 4.41Å; F56-A60 PolarHBondContact O-N 2.82Å; A60-M73 HydrophobicContact CB-CG 4.34Å; A60-M73 HydrophobicContact CB-SD 4.49Å; A60-Q74 CarbonylContact C-O 3.48Å; A60-Q74 WeakPolarHBondContact CA-O 3.15Å; A60-L75 HydrophobicContact CB-CD2 3.9Å
61	T	97.8	Very high	95.5	Very high	69 Å²	69	58.6 Å²	58.6	42%	0.423	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	120.4	169.4	-59.1	0	0	0	0	108.8	T63 M73 Q74	T61-T63 HydrophobicContact CG2-CG2 4.39Å; T61-M73 WeakPolarHBondContact O-CA 3.24Å; T61-Q74 PolarHBondContact N-O 3.15Å; T61-Q74 PolarHBondContact O-N 2.85Å
62	L	98	Very high	95.6	Very high	8 Å²	8	57.3 Å²	57.3	4%	0.042	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	132.6	178.9	-52.4	-176.3	0	0	0	110.3	W28 I43 T50 Y52 Y72 M73	W28-L62 VanDerWaalsContact CD1-CD2 3.47Å; W28-L62 HydrophobicContact CG-CD2 4Å; I43-L62 HydrophobicContact CB-CB 4.08Å; I43-L62 HydrophobicContact CB-CD1 4.45Å; I43-L62 HydrophobicContact CD1-CB 4.38Å; I43-L62 HydrophobicContact CG2-CB 4.4Å; T50-L62 HydrophobicContact CG2-CB 4.13Å; Y52-L62 HydrophobicContact CE1-CD1 4.02Å; Y52-L62 HydrophobicContact CE1-CG 3.69Å; Y52-L62 PolarHBondContact OH-N 3.28Å; L62-Y72 WeakPolarHBondContact CA-O 3.43Å; L62-M73 HydrophobicContact CD2-CB 3.72Å; L62-M73 HydrophobicContact CD2-CG 3.64Å; L62-M73 HydrophobicContact CD2-SD 4.3Å
63	T	97.7	Very high	95.6	Very high	59 Å²	59	54.7 Å²	54.7	36%	0.362	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.8	162.8	175.2	55.1	0	0	0	0	110.1	T61 Y72	T61-T63 HydrophobicContact CG2-CG2 4.39Å; T63-Y72 PolarHBondContact N-O 3.32Å; T63-Y72 PolarHBondContact O-N 3.02Å
64	A	97.3	Very high	95.7	Very high	34 Å²	34	56.5 Å²	56.5	28%	0.281	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	141.3	177.2	0	0	0	0	0	110.8	F21 I43 P45	F21-A64 HydrophobicContact CE1-CB 4.11Å; F21-A64 HydrophobicContact CZ-CB 3.97Å; I43-A64 HydrophobicContact CD1-CB 3.95Å; P45-A64 HydrophobicContact CB-CB 3.77Å; P45-A64 HydrophobicContact CG-CB 4.09Å
65	D	96.3	Very high	95.8	Very high	55 Å²	55	53.6 Å²	53.6	29%	0.294	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	110.1	169.8	174.3	9.6	0	0	0	108.9	S67 S68 S69 T70 Y72	D65-S67 VanDerWaalsContact C-N 3.31Å; D65-S67 PolarHBondContact O-N 2.87Å; D65-S67 WeakPolarHBondContact OD1-CB 2.98Å; D65-S67 PolarHBondContact OD1-N 2.82Å; D65-S67 PolarHBondContact OD1-OG 2.88Å; D65-S67 PolarHBondContact OD2-OG 2.86Å; D65-S68 WeakPolarHBondContact CB-OG 3.42Å; D65-S68 WeakPolarHBondContact OD2-CB 3.09Å; D65-S68 PolarHBondContact OD2-OG 2.94Å; D65-S69 WeakPolarHBondContact O-CA 3.25Å; D65-S69 PolarHBondContact O-N 2.78Å; D65-S69 VanDerWaalsContact O-N 3.09Å; D65-T70 PolarHBondContact N-O 2.85Å; D65-T70 PolarHBondContact O-N 2.95Å; D65-Y72 HydrophobicContact CB-CE2 3.95Å
66	K	94.5	Very high	95.9	Very high	120 Å²	120	47.8 Å²	47.8	52%	0.522	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.2	-34.3	-179.4	-69.1	-180	-108.8	-167.5	0	111.9	P45 G46 S69	P45-K66 VanDerWaalsContact O-CD 3.23Å; P45-K66 WeakPolarHBondContact O-CD 3.01Å; P45-K66 VanDerWaalsContact O-CE 3.28Å; P45-K66 WeakPolarHBondContact O-CE 3.49Å; P45-K66 WeakPolarHBondContact O-CG 3.21Å; G46-K66 PolarHBondContact O-NZ 3.23Å; K66-S69 PolarHBondContact O-N 3.27Å
67	S	93.3	Very high	95.9	Very high	110 Å²	110	50.9 Å²	50.9	77%	0.769	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.4	-40.3	-175.9	71.6	0	0	0	0	111.9	D65	D65-S67 VanDerWaalsContact C-N 3.31Å; D65-S67 PolarHBondContact O-N 2.87Å; D65-S67 WeakPolarHBondContact OD1-CB 2.98Å; D65-S67 PolarHBondContact OD1-N 2.82Å; D65-S67 PolarHBondContact OD1-OG 2.88Å; D65-S67 PolarHBondContact OD2-OG 2.86Å
68	S	95.6	Very high	96.1	Very high	37 Å²	37	43 Å²	43	26%	0.259	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94	1.4	177.7	64.4	0	0	0	0	113.7	D65 T70	D65-S68 WeakPolarHBondContact CB-OG 3.42Å; D65-S68 WeakPolarHBondContact OD2-CB 3.09Å; D65-S68 PolarHBondContact OD2-OG 2.94Å; S68-T70 PolarHBondContact O-N 3.01Å; S68-T70 PolarHBondContact O-OG1 2.85Å; S68-T70 WeakPolarHBondContact OG-CB 3.47Å; S68-T70 PolarHBondContact OG-OG1 3.02Å
69	S	95.9	Very high	96.2	Very high	40 Å²	40	42.7 Å²	42.7	28%	0.28	25%	0.25	S	S	.	.	T	Hydrogen-bonded Turn	trans	49.2	42	-172.9	-63.3	0	0	0	0	112.8	A16 F21 D65 K66	A16-S69 WeakPolarHBondContact CB-O 3.34Å; A16-S69 PolarHBondContact N-O 3.09Å; F21-S69 VanDerWaalsContact CD1-CA 3.49Å; D65-S69 WeakPolarHBondContact O-CA 3.25Å; D65-S69 PolarHBondContact O-N 2.78Å; D65-S69 VanDerWaalsContact O-N 3.09Å; K66-S69 PolarHBondContact O-N 3.27Å
70	T	97.1	Very high	96.1	Very high	10 Å²	10	44.3 Å²	44.3	6%	0.061	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	124.9	-173.3	-57.6	0	0	0	0	110.7	C14 D65 S68 Y72	C14-T70 WeakPolarHBondContact O-CA 3.29Å; D65-T70 PolarHBondContact N-O 2.85Å; D65-T70 PolarHBondContact O-N 2.95Å; S68-T70 PolarHBondContact O-N 3.01Å; S68-T70 PolarHBondContact O-OG1 2.85Å; S68-T70 WeakPolarHBondContact OG-CB 3.47Å; S68-T70 PolarHBondContact OG-OG1 3.02Å; T70-Y72 HydrophobicContact CG2-CD1 4.22Å; T70-Y72 HydrophobicContact CG2-CD2 4.47Å; T70-Y72 HydrophobicContact CG2-CE1 3.59Å; T70-Y72 HydrophobicContact CG2-CE2 3.86Å; T70-Y72 WeakPolarHBondContact CG2-OH 3.46Å; T70-Y72 WeakPolarHBondContact O-CE2 3.31Å
71	A	97.3	Very high	95.8	Very high	0 Å²	0	50.4 Å²	50.4	0%	0	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	151	168.7	0	0	0	0	0	110	S13 C14 F21 M26 W28	S13-A71 CarbonylContact C-O 3.54Å; S13-A71 WeakPolarHBondContact CA-O 3.48Å; C14-A71 PolarHBondContact N-O 3.44Å; C14-A71 PolarHBondContact O-N 3.26Å; F21-A71 HydrophobicContact CE2-CB 4.1Å; F21-A71 HydrophobicContact CZ-CB 3.93Å; M26-A71 HydrophobicContact CB-CB 4.14Å; M26-A71 HydrophobicContact CE-CB 4.44Å; M26-A71 HydrophobicContact CG-CB 3.69Å; W28-A71 HydrophobicContact CZ2-CB 4.21Å
72	Y	97.7	Very high	95.6	Very high	51 Å²	51	47.6 Å²	47.6	20%	0.2	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	143.4	177.8	-54.2	-86.6	0	0	0	110.9	K11 I12 S13 L62 T63 D65 T70	K11-Y72 HydrophobicContact CD-CD1 4.29Å; K11-Y72 VanDerWaalsContact CE-CB 3.44Å; K11-Y72 HydrophobicContact CG-CD1 4.27Å; I12-Y72 CarbonylContact O-C 3.52Å; I12-Y72 VanDerWaalsContact O-CA 3.24Å; I12-Y72 WeakPolarHBondContact O-CA 3.36Å; S13-Y72 VanDerWaalsContact CB-CE1 3.5Å; L62-Y72 WeakPolarHBondContact CA-O 3.43Å; T63-Y72 PolarHBondContact N-O 3.32Å; T63-Y72 PolarHBondContact O-N 3.02Å; D65-Y72 HydrophobicContact CB-CE2 3.95Å; T70-Y72 HydrophobicContact CG2-CD1 4.22Å; T70-Y72 HydrophobicContact CG2-CD2 4.47Å; T70-Y72 HydrophobicContact CG2-CE1 3.59Å; T70-Y72 HydrophobicContact CG2-CE2 3.86Å; T70-Y72 WeakPolarHBondContact CG2-OH 3.46Å; T70-Y72 WeakPolarHBondContact O-CE2 3.31Å
73	M	97.8	Very high	95.5	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	119.5	167.3	176	-178.9	69.8	0	0	108.4	I12 W28 I40 A60 T61 L62 L75 Y86	I12-M73 HydrophobicContact CD1-CE 3.75Å; I12-M73 PolarHBondContact N-O 2.99Å; I12-M73 PolarHBondContact O-N 3.15Å; W28-M73 HydrophobicContact CB-SD 3.89Å; W28-M73 HydrophobicContact CD2-CB 3.62Å; W28-M73 HydrophobicContact CD2-CE 4.43Å; W28-M73 HydrophobicContact CD2-CG 4.41Å; W28-M73 HydrophobicContact CD2-SD 4.07Å; W28-M73 HydrophobicContact CE3-CB 3.85Å; W28-M73 HydrophobicContact CE3-CE 3.83Å; W28-M73 HydrophobicContact CE3-SD 4.06Å; W28-M73 HydrophobicContact CG-CB 4.14Å; W28-M73 HydrophobicContact CG-SD 4.03Å; W28-M73 HydrophobicContact CH2-CB 4.07Å; W28-M73 HydrophobicContact CZ2-CB 3.87Å; W28-M73 HydrophobicContact CZ3-CB 4.07Å; W28-M73 HydrophobicContact CZ3-CE 4.28Å; I40-M73 HydrophobicContact CD1-CE 4.05Å; I40-M73 HydrophobicContact CD1-SD 3.56Å; I40-M73 VanDerWaalsContact CD1-SD 3.56Å; I40-M73 HydrophobicContact CG2-SD 4.01Å; A60-M73 HydrophobicContact CB-CG 4.34Å; A60-M73 HydrophobicContact CB-SD 4.49Å; T61-M73 WeakPolarHBondContact O-CA 3.24Å; L62-M73 HydrophobicContact CD2-CB 3.72Å; L62-M73 HydrophobicContact CD2-CG 3.64Å; L62-M73 HydrophobicContact CD2-SD 4.3Å; M73-L75 HydrophobicContact CE-CD1 3.9Å; M73-L75 HydrophobicContact CE-CD2 4.3Å; M73-L75 HydrophobicContact CE-CG 4.03Å; M73-L75 HydrophobicContact CG-CD2 4.39Å; M73-L75 HydrophobicContact CG-CG 4.37Å; M73-L75 HydrophobicContact SD-CD2 4.15Å; M73-L75 HydrophobicContact SD-CG 4.41Å; M73-Y86 HydrophobicContact CE-CD1 3.53Å; M73-Y86 HydrophobicContact CE-CE1 4.07Å; M73-Y86 HydrophobicContact CE-CG 4.09Å
74	Q	97.4	Very high	95.4	Very high	88 Å²	88	46.4 Å²	46.4	41%	0.411	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	124.3	170.4	-175.5	174.3	-3.7	0	0	109.2	V10 A60 T61	V10-Q74 CarbonylContact O-C 3.59Å; V10-Q74 VanDerWaalsContact O-CA 3.26Å; V10-Q74 WeakPolarHBondContact O-CA 3.42Å; A60-Q74 CarbonylContact C-O 3.48Å; A60-Q74 WeakPolarHBondContact CA-O 3.15Å; T61-Q74 PolarHBondContact N-O 3.15Å; T61-Q74 PolarHBondContact O-N 2.85Å
75	L	96.3	Very high	95.4	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	128.6	171.8	-64.5	167.6	0	0	0	108.7	S9 V10 I12 K59 A60 M73 L78 Y86 L103	S9-L75 CarbonylContact C-O 3.57Å; S9-L75 WeakPolarHBondContact CA-O 3.42Å; S9-L75 WeakPolarHBondContact CB-O 3.3Å; V10-L75 HydrophobicContact CG1-CB 4.04Å; V10-L75 HydrophobicContact CG1-CD1 4.28Å; V10-L75 PolarHBondContact N-O 3.27Å; V10-L75 PolarHBondContact O-N 2.8Å; I12-L75 HydrophobicContact CD1-CD1 4.28Å; K59-L75 HydrophobicContact CG-CD2 4.49Å; K59-L75 WeakPolarHBondContact O-CA 3.26Å; A60-L75 HydrophobicContact CB-CD2 3.9Å; M73-L75 HydrophobicContact CE-CD1 3.9Å; M73-L75 HydrophobicContact CE-CD2 4.3Å; M73-L75 HydrophobicContact CE-CG 4.03Å; M73-L75 HydrophobicContact CG-CD2 4.39Å; M73-L75 HydrophobicContact CG-CG 4.37Å; M73-L75 HydrophobicContact SD-CD2 4.15Å; M73-L75 HydrophobicContact SD-CG 4.41Å; L75-L78 HydrophobicContact CB-CD2 3.73Å; L75-L78 HydrophobicContact CD1-CD2 4.29Å; L75-Y86 HydrophobicContact CD1-CD1 4.26Å; L75-Y86 HydrophobicContact CD1-CE1 3.59Å; L75-Y86 HydrophobicContact CD1-CE2 4.1Å; L75-Y86 VanDerWaalsContact CD1-CZ 3.48Å; L75-L103 HydrophobicContact CD1-CD2 4.17Å
76	S	95.2	Very high	95.4	Very high	33 Å²	33	44.1 Å²	44.1	23%	0.231	26%	0.256	C	S	.	.	P	Polyproline II helix	trans	-103.5	158.4	-179.2	56.8	0	0	0	0	112.5	S9 K59 L78	S9-S76 WeakPolarHBondContact OG-CA 3.43Å; K59-S76 WeakPolarHBondContact CD-O 3.48Å; K59-S76 WeakPolarHBondContact CE-O 3.42Å; K59-S76 PolarHBondContact NZ-O 2.93Å; K59-S76 PolarHBondContact O-N 2.02Å; K59-S76 PolarHBondContact O-OG 3.48Å; S76-L78 VanDerWaalsContact C-N 3.31Å; S76-L78 PolarHBondContact O-N 2.84Å
77	S	94.4	Very high	95.5	Very high	77 Å²	77	39.8 Å²	39.8	54%	0.538	24%	0.238	S	C	.	.	S	Bend	trans	48.9	49.7	170.8	-56.1	0	0	0	0	113	A8 K59	A8-S77 PolarHBondContact O-N 2.76Å; K59-S77 PolarHBondContact NZ-O 3.2Å
78	L	94.7	Very high	95.6	Very high	2 Å²	2	35.2 Å²	35.2	1%	0.01	21%	0.205	C	C	.	.			trans	-58.7	145.5	-171.1	-71.4	172.4	0	0	0	112.9	V4 P6 G7 A8 V10 L75 S76 D82 L103 V105	V4-L78 HydrophobicContact CB-CD1 4.48Å; V4-L78 HydrophobicContact CG2-CD1 3.57Å; P6-L78 CarbonylContact C-O 3.6Å; P6-L78 WeakPolarHBondContact CA-O 3.42Å; G7-L78 PolarHBondContact N-O 2.91Å; A8-L78 WeakPolarHBondContact O-CB 3.21Å; A8-L78 VanDerWaalsContact O-CG 3.3Å; A8-L78 WeakPolarHBondContact O-CG 3.25Å; A8-L78 PolarHBondContact O-N 2.84Å; V10-L78 HydrophobicContact CB-CD1 4.04Å; V10-L78 HydrophobicContact CG1-CD1 3.77Å; V10-L78 HydrophobicContact CG1-CD2 4.49Å; L75-L78 HydrophobicContact CB-CD2 3.73Å; L75-L78 HydrophobicContact CD1-CD2 4.29Å; S76-L78 VanDerWaalsContact C-N 3.31Å; S76-L78 PolarHBondContact O-N 2.84Å; L78-D82 HydrophobicContact CD2-CB 3.67Å; L78-L103 HydrophobicContact CD1-CD2 4.14Å; L78-L103 HydrophobicContact CD2-CD2 4.02Å; L78-V105 HydrophobicContact CB-CG1 4.32Å; L78-V105 HydrophobicContact CB-CG2 4.04Å; L78-V105 HydrophobicContact CD1-CG2 4.4Å
79	T	94.3	Very high	95.6	Very high	60 Å²	60	33.5 Å²	33.5	37%	0.368	19%	0.193	S	C	.	.			trans	-126.1	165.7	177.8	62.7	0	0	0	0	109.8	E81 D82 V105	T79-E81 PolarHBondContact O-N 2.95Å; T79-E81 VanDerWaalsContact O-N 3.11Å; T79-D82 PolarHBondContact N-OD2 3.17Å; T79-D82 VanDerWaalsContact O-CB 3.31Å; T79-D82 WeakPolarHBondContact O-CB 3.41Å; T79-D82 PolarHBondContact O-N 3.45Å; T79-D82 PolarHBondContact OG1-OD2 2.88Å; T79-V105 WeakPolarHBondContact O-CB 3.21Å; T79-V105 VanDerWaalsContact O-CG2 3.31Å; T79-V105 WeakPolarHBondContact O-CG2 3.23Å
80	S	92.1	Very high	95.2	Very high	75 Å²	75	34 Å²	34	52%	0.524	19%	0.189	S	C	.	.	G	3₁₀ helix	trans	-53.3	-32.6	175.1	54.2	0	0	0	0	112.6	D82 S83	S80-D82 PolarHBondContact O-N 2.9Å; S80-S83 VanDerWaalsContact O-CB 3.29Å; S80-S83 WeakPolarHBondContact O-CB 3.48Å; S80-S83 PolarHBondContact O-N 2.83Å; S80-S83 VanDerWaalsContact O-N 3.1Å; S80-S83 PolarHBondContact O-OG 2.86Å
81	E	91.1	Very high	94.4	Very high	131 Å²	131	38.2 Å²	38.2	61%	0.612	21%	0.208	S	C	*	.	G	3₁₀ helix	trans	-66.7	-15	176.1	-64.2	-165.6	-172.9	0	0	115.1	K30 R32 T79 S83	K30-E81 PolarHBondContact NZ-O 2.85Å; R32-E81 PolarHBondContact NE-O 2.93Å; R32-E81 VanDerWaalsContact NE-O 3.09Å; R32-E81 PolarHBondContact NH2-O 2.85Å; R32-E81 IonicContact NH2-OE2 3.38Å; T79-E81 PolarHBondContact O-N 2.95Å; T79-E81 VanDerWaalsContact O-N 3.11Å; E81-S83 VanDerWaalsContact C-N 3.29Å
82	D	93.9	Very high	93.3	Very high	10 Å²	10	41.4 Å²	41.4	5%	0.053	23%	0.225	C	C	.	.	G	3₁₀ helix	trans	-82.9	-7	174.5	-62.8	-52.7	0	0	0	112.7	K30 K59 L78 T79 S80 A84 Y86 V105	K30-D82 IonicContact NZ-OD1 3.93Å; K30-D82 PolarHBondContact NZ-OD1 2.8Å; K59-D82 WeakPolarHBondContact CE-OD2 3.44Å; K59-D82 IonicContact NZ-OD2 2.74Å; K59-D82 PolarHBondContact NZ-OD2 3.44Å; L78-D82 HydrophobicContact CD2-CB 3.67Å; T79-D82 PolarHBondContact N-OD2 3.17Å; T79-D82 VanDerWaalsContact O-CB 3.31Å; T79-D82 WeakPolarHBondContact O-CB 3.41Å; T79-D82 PolarHBondContact O-N 3.45Å; T79-D82 PolarHBondContact OG1-OD2 2.88Å; S80-D82 PolarHBondContact O-N 2.9Å; D82-A84 PolarHBondContact O-N 2.79Å; D82-A84 VanDerWaalsContact O-N 3.13Å; D82-Y86 WeakPolarHBondContact O-CE2 3.48Å; D82-Y86 PolarHBondContact O-OH 2.83Å; D82-V105 HydrophobicContact CB-CG2 4.22Å
83	S	95.3	Very high	91.6	Very high	35 Å²	35	44.2 Å²	44.2	25%	0.245	25%	0.249	C	C	.	.			trans	-63.8	114.6	172.2	-56	0	0	0	0	110.8	S80 E81 L103 V105	S80-S83 VanDerWaalsContact O-CB 3.29Å; S80-S83 WeakPolarHBondContact O-CB 3.48Å; S80-S83 PolarHBondContact O-N 2.83Å; S80-S83 VanDerWaalsContact O-N 3.1Å; S80-S83 PolarHBondContact O-OG 2.86Å; E81-S83 VanDerWaalsContact C-N 3.29Å; S83-L103 CarbonylContact C-O 3.59Å; S83-L103 VanDerWaalsContact CA-O 3.29Å; S83-L103 WeakPolarHBondContact CA-O 3.43Å; S83-V105 PolarHBondContact OG-N 2.87Å
84	A	96.3	Very high	90.2	Very high	6 Å²	6	55.9 Å²	55.9	5%	0.05	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-169.3	172.5	-172.5	0	0	0	0	0	111.1	K30 Q31 R32 D82 Y86 L103	K30-A84 HydrophobicContact CD-CB 4.19Å; K30-A84 HydrophobicContact CG-CB 3.53Å; Q31-A84 WeakPolarHBondContact O-CA 3.05Å; Q31-A84 VanDerWaalsContact O-CB 3.31Å; Q31-A84 WeakPolarHBondContact O-CB 3.24Å; R32-A84 HydrophobicContact CG-CB 4.2Å; D82-A84 PolarHBondContact O-N 2.79Å; D82-A84 VanDerWaalsContact O-N 3.13Å; A84-Y86 HydrophobicContact CB-CD2 4.37Å; A84-Y86 HydrophobicContact CB-CE2 3.86Å; A84-L103 PolarHBondContact N-O 3.14Å; A84-L103 PolarHBondContact O-N 3.11Å
85	V	96.9	Very high	89.3	Confident	39 Å²	39	52.5 Å²	52.5	24%	0.236	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	130	161.7	-169.9	0	0	0	0	108.5	Q31 F87	Q31-V85 PolarHBondContact N-O 2.77Å; Q31-V85 PolarHBondContact O-N 2.81Å; V85-F87 HydrophobicContact CB-CE2 3.75Å; V85-F87 HydrophobicContact CB-CZ 3.94Å; V85-F87 HydrophobicContact CG1-CD2 4.24Å; V85-F87 HydrophobicContact CG1-CE1 3.89Å; V85-F87 HydrophobicContact CG1-CE2 3.52Å; V85-F87 HydrophobicContact CG1-CZ 3.32Å
86	Y	97.1	Very high	88.9	Confident	2 Å²	2	60.1 Å²	60.1	1%	0.008	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	127	180	-70.8	-88.4	0	0	0	110.1	I12 V29 K30 I40 M73 L75 D82 A84 G100 T101 L103	I12-Y86 HydrophobicContact CD1-CD2 3.96Å; I12-Y86 HydrophobicContact CD1-CG 3.84Å; V29-Y86 CarbonylContact O-C 3.55Å; V29-Y86 WeakPolarHBondContact O-CA 3.39Å; K30-Y86 HydrophobicContact CB-CD1 4.13Å; K30-Y86 HydrophobicContact CB-CE1 3.9Å; K30-Y86 HydrophobicContact CD-CE1 3.95Å; K30-Y86 WeakPolarHBondContact CE-OH 3.4Å; K30-Y86 HydrophobicContact CG-CD1 4.26Å; K30-Y86 HydrophobicContact CG-CE1 3.74Å; I40-Y86 HydrophobicContact CD1-CD1 3.69Å; I40-Y86 HydrophobicContact CD1-CE1 3.77Å; M73-Y86 HydrophobicContact CE-CD1 3.53Å; M73-Y86 HydrophobicContact CE-CE1 4.07Å; M73-Y86 HydrophobicContact CE-CG 4.09Å; L75-Y86 HydrophobicContact CD1-CD1 4.26Å; L75-Y86 HydrophobicContact CD1-CE1 3.59Å; L75-Y86 HydrophobicContact CD1-CE2 4.1Å; L75-Y86 VanDerWaalsContact CD1-CZ 3.48Å; D82-Y86 WeakPolarHBondContact O-CE2 3.48Å; D82-Y86 PolarHBondContact O-OH 2.83Å; A84-Y86 HydrophobicContact CB-CD2 4.37Å; A84-Y86 HydrophobicContact CB-CE2 3.86Å; Y86-G100 CarbonylContact O-C 3.56Å; Y86-G100 VanDerWaalsContact O-CA 3.24Å; Y86-G100 WeakPolarHBondContact O-CA 3.48Å; Y86-T101 PolarHBondContact N-O 3.4Å; Y86-T101 PolarHBondContact O-N 2.86Å; Y86-L103 HydrophobicContact CD2-CB 3.93Å; Y86-L103 HydrophobicContact CD2-CD2 4.38Å; Y86-L103 HydrophobicContact CE2-CB 3.82Å; Y86-L103 HydrophobicContact CE2-CD2 3.71Å; Y86-L103 HydrophobicContact CE2-CG 4.4Å
87	F	96.3	Very high	88.7	Confident	30 Å²	30	63 Å²	63	13%	0.132	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	147.9	-177.9	-59.1	-88.5	0	0	0	110.6	W28 V29 Q31 V85 W97	W28-F87 WeakPolarHBondContact CA-O 3.03Å; V29-F87 PolarHBondContact N-O 2.78Å; V29-F87 PolarHBondContact O-N 3.03Å; Q31-F87 HydrophobicContact CB-CD2 4.33Å; Q31-F87 HydrophobicContact CB-CE2 3.77Å; V85-F87 HydrophobicContact CB-CE2 3.75Å; V85-F87 HydrophobicContact CB-CZ 3.94Å; V85-F87 HydrophobicContact CG1-CD2 4.24Å; V85-F87 HydrophobicContact CG1-CE1 3.89Å; V85-F87 HydrophobicContact CG1-CE2 3.52Å; V85-F87 HydrophobicContact CG1-CZ 3.32Å; F87-W97 HydrophobicContact CB-CE3 3.75Å; F87-W97 HydrophobicContact CB-CZ3 3.91Å; F87-W97 HydrophobicContact CG-CE3 4.26Å; F87-W97 HydrophobicContact CG-CZ3 4.45Å
88	C	95.5	Very high	88.6	Confident	13 Å²	13	60.6 Å²	60.6	9%	0.088	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	149	161	60.4	0	0	0	0	110	C14 M26 N27 W28 G98	C14-C88 HydrophobicContact CB-CB 3.45Å; C14-C88 VanDerWaalsContact CB-CB 3.45Å; C14-C88 WeakPolarHBondContact CB-SG 3.48Å; C14-C88 WeakPolarHBondContact SG-CB 3.02Å; C14-C88 CovalentContact SG-SG 2.02Å; C14-C88 PolarHBondContact SG-SG 2.97Å; M26-C88 HydrophobicContact CG-CB 4.39Å; M26-C88 HydrophobicContact SD-CB 3.75Å; N27-C88 CarbonylContact O-C 3.53Å; N27-C88 WeakPolarHBondContact O-CA 3.01Å; W28-C88 HydrophobicContact CD2-CB 4.49Å; W28-C88 HydrophobicContact CE3-CB 4.27Å; W28-C88 HydrophobicContact CH2-CB 4.38Å; W28-C88 HydrophobicContact CZ3-CB 4.22Å; C88-G98 PolarHBondContact O-N 3.32Å
89	A	94.4	Very high	88.5	Confident	1 Å²	1	69.7 Å²	69.7	1%	0.008	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.8	139.2	177.9	0	0	0	0	0	112.3	N27 L92 Y96 W97	N27-A89 WeakPolarHBondContact CA-O 3.42Å; N27-A89 HydrophobicContact CB-CB 4.47Å; N27-A89 VanDerWaalsContact CB-O 3.27Å; N27-A89 WeakPolarHBondContact CB-O 3.07Å; N27-A89 PolarHBondContact N-O 3.22Å; N27-A89 PolarHBondContact ND2-O 3.2Å; N27-A89 PolarHBondContact O-N 2.98Å; A89-L92 HydrophobicContact CB-CD2 3.75Å; A89-L92 HydrophobicContact CB-CG 4.41Å; A89-Y96 CarbonylContact C-O 3.54Å; A89-Y96 WeakPolarHBondContact CA-O 3.24Å; A89-W97 HydrophobicContact CB-CD2 3.77Å; A89-W97 HydrophobicContact CB-CE3 3.8Å; A89-W97 HydrophobicContact CB-CG 4.25Å; A89-W97 HydrophobicContact CB-CH2 4.46Å; A89-W97 HydrophobicContact CB-CZ2 4.45Å; A89-W97 HydrophobicContact CB-CZ3 4.16Å
90	R	88.8	Confident	88.5	Confident	50 Å²	50	68.2 Å²	68.2	19%	0.189	35%	0.345	C	S	.	.	S	Bend	trans	-76.1	-48.6	178.4	-168.6	-177.4	77.9	-166.1	6.2	112.2	Y19 W25 N27 Y96	Y19-R90 HydrophobicContact CE2-CG 4.14Å; W25-R90 WeakPolarHBondContact O-CA 3.38Å; W25-R90 VanDerWaalsContact O-O 3.07Å; N27-R90 PolarHBondContact ND2-O 3.07Å; N27-R90 VanDerWaalsContact ND2-O 3.15Å; R90-Y96 PolarHBondContact N-O 3.09Å; R90-Y96 VanDerWaalsContact NH2-CE2 3.28Å
91	E	79.5	Confident	88.7	Confident	99 Å²	99	67.2 Å²	67.2	46%	0.463	34%	0.336	S	S	.	.	S	Bend	trans	-129.1	132.2	-176.9	-73.9	159	-136.8	0	0	108.7	G95	E91-G95 WeakPolarHBondContact O-CA 3.27Å; E91-G95 PolarHBondContact O-N 3.01Å
92	L	75.1	Confident	88.9	Confident	68 Å²	68	63.8 Å²	63.8	36%	0.356	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	-110.9	145.4	176.3	-68.2	177.8	0	0	0	109.7	N27 V29 W39 A89 W97	N27-L92 HydrophobicContact CB-CD1 3.77Å; N27-L92 HydrophobicContact CB-CG 4.19Å; V29-L92 HydrophobicContact CG2-CD1 4.19Å; V29-L92 HydrophobicContact CG2-CD2 4.42Å; W39-L92 VanDerWaalsContact CD1-CD1 3.46Å; A89-L92 HydrophobicContact CB-CD2 3.75Å; A89-L92 HydrophobicContact CB-CG 4.41Å; L92-W97 HydrophobicContact CD2-CH2 3.33Å; L92-W97 HydrophobicContact CD2-CZ2 3.13Å; L92-W97 HydrophobicContact CD2-CZ3 4.23Å
93	P	61	Low	89	Confident	110 Å²	110	63.4 Å²	63.4	71%	0.714	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	cis	-94	-16.1	2.4	33.8	-32.5	0	0	0	115.2	W97	P93-W97 PolarHBondContact O-NE1 3.26Å
94	R	67.8	Low	88.9	Confident	244 Å²	244	64.6 Å²	64.6	92%	0.921	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.4	14.5	-173.4	-69.6	-174.2	177.6	161.4	-0.5	114.7
95	G	78.5	Confident	88.8	Confident	18 Å²	18	64.6 Å²	64.6	19%	0.186	33%	0.327	C	S	.	.	S	Bend	trans	-82.7	-161.5	-177.5	0	0	0	0	0	114.2	E91	E91-G95 WeakPolarHBondContact O-CA 3.27Å; E91-G95 PolarHBondContact O-N 3.01Å
96	Y	87.9	Confident	88.3	Confident	159 Å²	159	65 Å²	65	62%	0.624	33%	0.332	S	S	*	.			trans	-79.8	125.9	-178.8	-60.5	-87.2	0	0	0	111.4	A89 R90	A89-Y96 CarbonylContact C-O 3.54Å; A89-Y96 WeakPolarHBondContact CA-O 3.24Å; R90-Y96 PolarHBondContact N-O 3.09Å; R90-Y96 VanDerWaalsContact NH2-CE2 3.28Å
97	W	92.4	Very high	87.2	Confident	93 Å²	93	72.6 Å²	72.6	35%	0.352	39%	0.385	S	S	.	.	B	Isolated β-bridge	trans	-110.6	144	178.9	-66.8	81.6	0	0	0	111.1	V29 L37 F87 A89 L92 P93	V29-W97 HydrophobicContact CB-CH2 4.3Å; V29-W97 HydrophobicContact CB-CZ3 3.89Å; V29-W97 HydrophobicContact CG1-CH2 4.22Å; V29-W97 HydrophobicContact CG1-CZ3 4.11Å; V29-W97 HydrophobicContact CG2-CH2 3.9Å; V29-W97 HydrophobicContact CG2-CZ3 3.81Å; L37-W97 HydrophobicContact CD1-CH2 3.83Å; L37-W97 HydrophobicContact CD1-CZ2 4.3Å; F87-W97 HydrophobicContact CB-CE3 3.75Å; F87-W97 HydrophobicContact CB-CZ3 3.91Å; F87-W97 HydrophobicContact CG-CE3 4.26Å; F87-W97 HydrophobicContact CG-CZ3 4.45Å; A89-W97 HydrophobicContact CB-CD2 3.77Å; A89-W97 HydrophobicContact CB-CE3 3.8Å; A89-W97 HydrophobicContact CB-CG 4.25Å; A89-W97 HydrophobicContact CB-CH2 4.46Å; A89-W97 HydrophobicContact CB-CZ2 4.45Å; A89-W97 HydrophobicContact CB-CZ3 4.16Å; L92-W97 HydrophobicContact CD2-CH2 3.33Å; L92-W97 HydrophobicContact CD2-CZ2 3.13Å; L92-W97 HydrophobicContact CD2-CZ3 4.23Å; P93-W97 PolarHBondContact O-NE1 3.26Å
98	G	92.4	Very high	86.7	Confident	27 Å²	27	74.8 Å²	74.8	28%	0.278	40%	0.398	S	S	.	.			trans	-71.9	164.9	164.7	0	0	0	0	0	111.7	C88 G100	C88-G98 PolarHBondContact O-N 3.32Å; G98-G100 PolarHBondContact O-N 2.98Å; G98-G100 VanDerWaalsContact O-N 3.15Å
99	Q	92.6	Very high	86.3	Confident	193 Å²	193	78 Å²	78	90%	0.902	41%	0.414	S	S	*	.			trans	-63.5	-19.3	179.6	-64.8	-63.3	-20.1	0	0	113.8
100	G	93.9	Very high	85.8	Confident	30 Å²	30	82.3 Å²	82.3	31%	0.309	44%	0.437	S	S	.	.			trans	86.6	150.9	-177.7	0	0	0	0	0	113	Y86 G98	Y86-G100 CarbonylContact O-C 3.56Å; Y86-G100 VanDerWaalsContact O-CA 3.24Å; Y86-G100 WeakPolarHBondContact O-CA 3.48Å; G98-G100 PolarHBondContact O-N 2.98Å; G98-G100 VanDerWaalsContact O-N 3.15Å
101	T	95.6	Very high	85.7	Confident	53 Å²	53	84.2 Å²	84.2	33%	0.325	45%	0.451	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	117.2	178	-60.2	0	0	0	0	108.9	I12 Y86 L103	I12-T101 HydrophobicContact CG2-CG2 4.41Å; Y86-T101 PolarHBondContact N-O 3.4Å; Y86-T101 PolarHBondContact O-N 2.86Å; T101-L103 PolarHBondContact O-N 3.49Å
102	T	96	Very high	86	Confident	59 Å²	59	83.3 Å²	83.3	36%	0.362	45%	0.451	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	121.8	173.4	-48.7	0	0	0	0	110.2	P1 E2	P1-T102 CarbonylContact C-O 3.51Å; P1-T102 WeakPolarHBondContact CA-O 3.47Å; P1-T102 HydrophobicContact CB-CG2 4.49Å; E2-T102 PolarHBondContact N-O 2.6Å
103	L	94.8	Very high	86.8	Confident	2 Å²	2	84.3 Å²	84.3	1%	0.01	46%	0.457	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	129.5	171.4	-179.2	67.9	0	0	0	108.9	E2 V4 V10 L75 L78 S83 A84 Y86 T101 V105	E2-L103 HydrophobicContact CB-CD1 4.09Å; V4-L103 HydrophobicContact CG1-CD1 4.16Å; V4-L103 HydrophobicContact CG2-CD1 3.86Å; V10-L103 HydrophobicContact CB-CD1 4.42Å; V10-L103 HydrophobicContact CG1-CD1 4.12Å; V10-L103 HydrophobicContact CG1-CD2 3.82Å; V10-L103 HydrophobicContact CG2-CD1 4.26Å; L75-L103 HydrophobicContact CD1-CD2 4.17Å; L78-L103 HydrophobicContact CD1-CD2 4.14Å; L78-L103 HydrophobicContact CD2-CD2 4.02Å; S83-L103 CarbonylContact C-O 3.59Å; S83-L103 VanDerWaalsContact CA-O 3.29Å; S83-L103 WeakPolarHBondContact CA-O 3.43Å; A84-L103 PolarHBondContact N-O 3.14Å; A84-L103 PolarHBondContact O-N 3.11Å; Y86-L103 HydrophobicContact CD2-CB 3.93Å; Y86-L103 HydrophobicContact CD2-CD2 4.38Å; Y86-L103 HydrophobicContact CE2-CB 3.82Å; Y86-L103 HydrophobicContact CE2-CD2 3.71Å; Y86-L103 HydrophobicContact CE2-CG 4.4Å; T101-L103 PolarHBondContact O-N 3.49Å; L103-V105 HydrophobicContact CG-CG2 4.49Å
104	T	94.8	Very high	88.6	Confident	61 Å²	61	82.4 Å²	82.4	37%	0.374	44%	0.439	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	122.9	175.2	-57.2	0	0	0	0	108.8	E2 L3 V4	E2-T104 PolarHBondContact O-N 3.28Å; L3-T104 WeakPolarHBondContact CA-O 3.46Å; L3-T104 HydrophobicContact CD1-CG2 3.84Å; V4-T104 PolarHBondContact N-O 2.82Å
105	V	92.8	Very high	90.2	Very high	6 Å²	6	70 Å²	70	4%	0.036	40%	0.402	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	112.4	175.3	-170.9	0	0	0	0	107.9	V4 P6 L78 T79 D82 S83 L103	V4-V105 HydrophobicContact CG2-CB 4.3Å; V4-V105 HydrophobicContact CG2-CG1 4.36Å; V4-V105 HydrophobicContact CG2-CG2 3.78Å; V4-V105 CarbonylContact O-C 3.36Å; V4-V105 WeakPolarHBondContact O-CA 3.28Å; P6-V105 HydrophobicContact CG-CG1 4.28Å; L78-V105 HydrophobicContact CB-CG1 4.32Å; L78-V105 HydrophobicContact CB-CG2 4.04Å; L78-V105 HydrophobicContact CD1-CG2 4.4Å; T79-V105 WeakPolarHBondContact O-CB 3.21Å; T79-V105 VanDerWaalsContact O-CG2 3.31Å; T79-V105 WeakPolarHBondContact O-CG2 3.23Å; D82-V105 HydrophobicContact CB-CG2 4.22Å; S83-V105 PolarHBondContact OG-N 2.87Å; L103-V105 HydrophobicContact CG-CG2 4.49Å
106	S	87.3	Confident	91.2	Very high	47 Å²	47	74.3 Å²	74.3	33%	0.329	42%	0.42	S	S	.	.			trans	-66.3	138.6	178.6	59.5	0	0	0	0	110.1	V4 P6	V4-S106 PolarHBondContact O-N 2.64Å; V4-S106 PolarHBondContact O-OG 2.92Å; P6-S106 WeakPolarHBondContact CD-O 3.41Å; P6-S106 WeakPolarHBondContact CG-O 3.35Å
107	S	73.7	Confident	91.5	Very high	162 Å²	162	66.6 Å²	66.6	100%	1.133	40%	0.401	S	S	*	.			trans	-69.9	0	171.5	55.6	0	0	0	0	112.5

Retrieved 107 of 107 residues in 23.5 ms (Link to these results)

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