X5J513_MOUSE Loading...

IgM heavy chain VDJ region

AlphaFold DB , UniProt , Accession X5J513, Species MOUSE (Mus musculus, Mouse), Gene n/a, Length 119 aa.

						>X5J513_MOUSE|X5J513
SGAELAKPGASVKLSCKASGYTFTSYWMHWVKQRPGQGLEWIGYINPSSGYTKYNQKFKGKATLTVDKSSSTAYMQRSSLTYEDSAVYYCAGIYGNYDYYAMDYWGQGTSVTVSSESQS
					

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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	S	56.2	Low	86.9	Confident	105 Å²	105	68.2 Å²	68.2	73%	0.734	46%	0.46	S	S	*	.				0	141.3	0	-58.2	0	0	0	0	108.6	T109	S1-T109 WeakPolarHBondContact CB-OG1 3.35Å
2	G	69.7	Low	87.6	Confident	53 Å²	53	63.6 Å²	63.6	55%	0.546	43%	0.428	S	S	.	.			trans	-89.1	-154.7	-173.9	0	0	0	0	0	113.1	T109	G2-T109 WeakPolarHBondContact O-CG2 3.4Å
3	A	82.9	Confident	88.3	Confident	82 Å²	82	68.1 Å²	68.1	68%	0.678	44%	0.436	S	S	*	.			trans	-84.4	133.2	170	0	0	0	0	0	110.4	S110	A3-S110 CarbonylContact C-O 3.57Å; A3-S110 WeakPolarHBondContact CA-O 3.41Å
4	E	88.8	Confident	88.9	Confident	84 Å²	84	63.4 Å²	63.4	39%	0.393	41%	0.406	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	125.1	175.9	-65	-68.8	166.6	0	0	109	V12 L14 T109 S110 V111 T112	E4-V12 HydrophobicContact CB-CG2 4.19Å; E4-V12 HydrophobicContact CG-CG2 4.17Å; E4-L14 HydrophobicContact CG-CD2 4.24Å; E4-T109 HydrophobicContact CG-CG2 3.88Å; E4-S110 PolarHBondContact N-O 3.31Å; E4-V111 HydrophobicContact CB-CG2 4.22Å; E4-V111 CarbonylContact O-C 3.57Å; E4-V111 WeakPolarHBondContact O-CA 3.29Å; E4-T112 PolarHBondContact O-N 3Å
5	L	91.4	Very high	89.4	Confident	69 Å²	69	62.5 Å²	62.5	36%	0.361	40%	0.402	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	126.2	173.6	-171.8	72.6	0	0	0	109.6	T112 Q118	L5-T112 WeakPolarHBondContact CA-O 3.45Å; L5-T112 HydrophobicContact CD1-CG2 3.7Å; L5-Q118 HydrophobicContact CD2-CG 3.38Å
6	A	92.9	Very high	89.8	Confident	13 Å²	13	59.4 Å²	59.4	11%	0.107	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	151	-178.9	0	0	0	0	0	111.5	A10 L80 T112 V113 S114	A6-A10 HydrophobicContact CB-CB 4.34Å; A6-L80 HydrophobicContact CB-CD1 3.61Å; A6-T112 PolarHBondContact N-O 3.49Å; A6-V113 CarbonylContact O-C 3.52Å; A6-V113 VanDerWaalsContact O-CA 3.23Å; A6-V113 WeakPolarHBondContact O-CA 2.94Å; A6-S114 PolarHBondContact O-N 3.49Å
7	K	94.2	Very high	90.1	Very high	136 Å²	136	64.8 Å²	64.8	59%	0.591	40%	0.398	S	S	*	.			trans	-84.7	154.6	170	-69.7	-178.1	179.3	-178.1	0	110.7	G9 A10	K7-G9 PolarHBondContact O-N 3.26Å; K7-A10 WeakPolarHBondContact O-CB 3.4Å; K7-A10 PolarHBondContact O-N 3.26Å
8	P	96.1	Very high	90.2	Very high	52 Å²	52	61.8 Å²	61.8	34%	0.338	38%	0.381	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.8	138.4	168.3	-25.2	33.5	0	0	0	111.6	A10 L80 Y82 V113	P8-A10 PolarHBondContact O-N 2.66Å; P8-L80 CarbonylContact C-O 3.53Å; P8-L80 WeakPolarHBondContact CA-O 3.23Å; P8-Y82 HydrophobicContact CG-CD1 4.45Å; P8-Y82 HydrophobicContact CG-CE1 3.77Å; P8-Y82 HydrophobicContact CG-CE2 3.99Å; P8-V113 HydrophobicContact CB-CG1 4.48Å; P8-V113 HydrophobicContact CG-CG1 4.1Å
9	G	94.5	Very high	90.2	Very high	53 Å²	53	63.6 Å²	63.6	55%	0.546	40%	0.397	S	S	.	.	T	Hydrogen-bonded Turn	trans	82.4	-15.1	-175.7	0	0	0	0	0	115	K7 L80	K7-G9 PolarHBondContact O-N 3.26Å; G9-L80 PolarHBondContact N-O 3.43Å
10	A	94.9	Very high	89.9	Confident	36 Å²	36	64.5 Å²	64.5	30%	0.298	42%	0.419	S	S	.	.			trans	-68.9	171.4	177.6	0	0	0	0	0	112.3	A6 K7 P8 S79 L80	A6-A10 HydrophobicContact CB-CB 4.34Å; K7-A10 WeakPolarHBondContact O-CB 3.4Å; K7-A10 PolarHBondContact O-N 3.26Å; P8-A10 PolarHBondContact O-N 2.66Å; A10-S79 PolarHBondContact O-N 3.38Å; A10-L80 WeakPolarHBondContact O-CG 3.41Å; A10-L80 PolarHBondContact O-N 2.82Å
11	S	94.6	Very high	89.7	Confident	67 Å²	67	63.6 Å²	63.6	47%	0.469	41%	0.407	S	S	.	.			trans	-117	146.1	172.1	-60.2	0	0	0	0	110.3	R77 S78	S11-R77 CarbonylContact C-O 3.42Å; S11-R77 WeakPolarHBondContact CA-O 3.17Å; S11-R77 WeakPolarHBondContact CB-O 3.32Å; S11-S78 WeakPolarHBondContact OG-CA 3.42Å
12	V	95.4	Very high	91.4	Very high	13 Å²	13	62.9 Å²	62.9	8%	0.079	40%	0.399	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	142.8	172.4	69.4	0	0	0	0	109.4	E4 L14 Q76 R77 L80 V111	E4-V12 HydrophobicContact CB-CG2 4.19Å; E4-V12 HydrophobicContact CG-CG2 4.17Å; V12-L14 HydrophobicContact CG2-CD2 3.75Å; V12-Q76 CarbonylContact O-C 3.57Å; V12-Q76 WeakPolarHBondContact O-CA 3.4Å; V12-R77 HydrophobicContact CG1-CB 4.02Å; V12-R77 PolarHBondContact N-O 2.87Å; V12-R77 PolarHBondContact O-N 3.02Å; V12-L80 HydrophobicContact CB-CD1 4.11Å; V12-L80 HydrophobicContact CG1-CD1 3.9Å; V12-L80 HydrophobicContact CG1-CD2 4.35Å; V12-V111 HydrophobicContact CG1-CG1 4.38Å; V12-V111 HydrophobicContact CG1-CG2 4.48Å
13	K	96.3	Very high	92.5	Very high	122 Å²	122	60.6 Å²	60.6	53%	0.53	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	109.1	174.9	-174.9	179.4	179.1	-177.1	0	109.1	Y74 M75	K13-Y74 HydrophobicContact CD-CD1 4.45Å; K13-Y74 HydrophobicContact CG-CD1 4.37Å; K13-M75 WeakPolarHBondContact CA-O 3.2Å
14	L	97	Very high	93	Very high	3 Å²	3	59.4 Å²	59.4	2%	0.016	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	146.6	177.4	-54.5	-169.8	0	0	0	110.2	E4 V12 W30 Y74 M75 Y88 T109 V111	E4-L14 HydrophobicContact CG-CD2 4.24Å; V12-L14 HydrophobicContact CG2-CD2 3.75Å; L14-W30 HydrophobicContact CB-CH2 3.91Å; L14-W30 HydrophobicContact CB-CZ3 3.76Å; L14-W30 HydrophobicContact CD1-CZ3 4.39Å; L14-Y74 CarbonylContact O-C 3.52Å; L14-Y74 WeakPolarHBondContact O-CA 3.33Å; L14-M75 HydrophobicContact CB-CE 4.33Å; L14-M75 HydrophobicContact CD1-CE 3.51Å; L14-M75 HydrophobicContact CG-CE 3.95Å; L14-M75 PolarHBondContact N-O 2.83Å; L14-M75 PolarHBondContact O-N 3.16Å; L14-Y88 HydrophobicContact CD1-CD1 4.29Å; L14-Y88 HydrophobicContact CD1-CD2 4.15Å; L14-Y88 HydrophobicContact CD1-CG 3.68Å; L14-T109 HydrophobicContact CD2-CG2 3.97Å; L14-V111 HydrophobicContact CD1-CG2 4.15Å; L14-V111 HydrophobicContact CD2-CG2 4.06Å
15	S	96.5	Very high	93.1	Very high	50 Å²	50	57.8 Å²	57.8	35%	0.35	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	145.7	177.6	64.1	0	0	0	0	111.2	A73 Y74	S15-A73 CarbonylContact C-O 3.5Å; S15-A73 WeakPolarHBondContact CA-O 3.47Å; S15-Y74 VanDerWaalsContact CB-CE1 3.49Å
16	C	95.7	Very high	93	Very high	12 Å²	12	55.8 Å²	55.8	8%	0.081	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	107.3	174.5	179.3	0	0	0	0	108.8	W30 T72 A73 C90	C16-W30 HydrophobicContact CB-CH2 3.9Å; C16-W30 HydrophobicContact CB-CZ2 4.02Å; C16-T72 CarbonylContact O-C 3.53Å; C16-T72 WeakPolarHBondContact O-CA 3.44Å; C16-A73 PolarHBondContact N-O 3Å; C16-A73 PolarHBondContact O-N 2.89Å; C16-C90 HydrophobicContact CB-CB 3.41Å; C16-C90 VanDerWaalsContact CB-CB 3.41Å; C16-C90 WeakPolarHBondContact CB-SG 2.78Å; C16-C90 WeakPolarHBondContact SG-CB 3.44Å; C16-C90 CovalentContact SG-SG 2.02Å; C16-C90 PolarHBondContact SG-SG 3.36Å
17	K	95.1	Very high	93	Very high	151 Å²	151	57.2 Å²	57.2	66%	0.657	35%	0.346	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-92	124	178.7	-174	174	-177.1	179.4	0	109.5	T72	K17-T72 HydrophobicContact CB-CG2 4.49Å
18	A	92.1	Very high	93.1	Very high	11 Å²	11	50.8 Å²	50.8	9%	0.091	32%	0.318	C	S	.	.			trans	-72.2	141.7	173.3	0	0	0	0	0	111	Y21 F23 S71	A18-Y21 HydrophobicContact CB-CD2 4.43Å; A18-Y21 HydrophobicContact CB-CE1 4Å; A18-Y21 HydrophobicContact CB-CE2 3.64Å; A18-Y21 VanDerWaalsContact CB-OH 3.32Å; A18-Y21 WeakPolarHBondContact CB-OH 3.18Å; A18-F23 HydrophobicContact CB-CB 3.92Å; A18-F23 HydrophobicContact CB-CD2 3.5Å; A18-F23 HydrophobicContact CB-CE2 4.31Å; A18-F23 HydrophobicContact CB-CG 4.01Å; A18-S71 PolarHBondContact N-O 2.88Å
19	S	88.5	Confident	93.1	Very high	97 Å²	97	49.4 Å²	49.4	68%	0.678	31%	0.308	S	S	*	.			trans	-142.9	140.4	174.1	57.6	0	0	0	0	109.8	Y21	S19-Y21 VanDerWaalsContact C-N 3.33Å; S19-Y21 WeakPolarHBondContact O-CD1 3.32Å; S19-Y21 PolarHBondContact O-N 3.24Å
20	G	85.9	Confident	93.2	Very high	81 Å²	81	47.1 Å²	47.1	84%	0.835	28%	0.282	S	S	*	.	S	Bend	trans	78.8	6.3	176.4	0	0	0	0	0	116
21	Y	85.1	Confident	93.3	Very high	45 Å²	45	45.4 Å²	45.4	18%	0.176	27%	0.268	C	S	.	.	S	Bend	trans	-150.5	162.9	175.1	62.3	-91.5	0	0	0	112.5	A18 S19 F23 Y26 M28 Y104	A18-Y21 HydrophobicContact CB-CD2 4.43Å; A18-Y21 HydrophobicContact CB-CE1 4Å; A18-Y21 HydrophobicContact CB-CE2 3.64Å; A18-Y21 VanDerWaalsContact CB-OH 3.32Å; A18-Y21 WeakPolarHBondContact CB-OH 3.18Å; S19-Y21 VanDerWaalsContact C-N 3.33Å; S19-Y21 WeakPolarHBondContact O-CD1 3.32Å; S19-Y21 PolarHBondContact O-N 3.24Å; Y21-F23 PolarHBondContact O-N 3.48Å; Y21-F23 VanDerWaalsContact O-N 3.07Å; Y21-Y26 HydrophobicContact CD2-CD1 4.42Å; Y21-Y26 AromaticContact CD2-CD2 3.38Å; Y21-Y26 HydrophobicContact CD2-CD2 3.38Å; Y21-Y26 AromaticContact CD2-CE2 3.54Å; Y21-Y26 HydrophobicContact CD2-CE2 3.54Å; Y21-Y26 AromaticContact CD2-CG 3.87Å; Y21-Y26 HydrophobicContact CD2-CG 3.87Å; Y21-Y26 HydrophobicContact CE2-CD1 4.45Å; Y21-Y26 AromaticContact CE2-CD2 3.89Å; Y21-Y26 HydrophobicContact CE2-CD2 3.89Å; Y21-Y26 HydrophobicContact CE2-CE2 4.41Å; Y21-Y26 AromaticContact CE2-CG 3.92Å; Y21-Y26 HydrophobicContact CE2-CG 3.92Å; Y21-Y26 HydrophobicContact CG-CD2 4.27Å; Y21-Y26 AromaticContact CG-CE2 3.98Å; Y21-Y26 HydrophobicContact CG-CE2 3.98Å; Y21-M28 WeakPolarHBondContact OH-CE 3.36Å; Y21-Y104 HydrophobicContact CD1-CD1 4.27Å; Y21-Y104 AromaticContact CD1-CD2 3.95Å; Y21-Y104 HydrophobicContact CD1-CD2 3.95Å; Y21-Y104 HydrophobicContact CD1-CE1 4.26Å; Y21-Y104 AromaticContact CD1-CE2 3.94Å; Y21-Y104 HydrophobicContact CD1-CE2 3.94Å; Y21-Y104 HydrophobicContact CD1-CG 4.12Å; Y21-Y104 HydrophobicContact CE1-CD1 4.3Å; Y21-Y104 HydrophobicContact CE1-CD2 4.01Å; Y21-Y104 HydrophobicContact CE1-CE2 4.46Å; Y21-Y104 AromaticContact CE1-CG 3.92Å; Y21-Y104 HydrophobicContact CE1-CG 3.92Å; Y21-Y104 HydrophobicContact CG-CD2 4.46Å; Y21-Y104 HydrophobicContact CG-CE2 4.22Å
22	T	91.2	Very high	93.4	Very high	90 Å²	90	42.2 Å²	42.2	55%	0.552	25%	0.246	S	C	*	.			trans	-72.3	97.9	175.6	-55.7	0	0	0	0	110.3	T24 S25 Y26	T22-T24 PolarHBondContact O-N 3.2Å; T22-T24 VanDerWaalsContact O-N 3.07Å; T22-S25 WeakPolarHBondContact CG2-OG 3.46Å; T22-S25 WeakPolarHBondContact O-CB 3.49Å; T22-S25 PolarHBondContact O-N 3.01Å; T22-Y26 WeakPolarHBondContact O-CD2 3.37Å
23	F	92.6	Very high	93.5	Very high	6 Å²	6	44.8 Å²	44.8	3%	0.026	26%	0.257	C	S	.	.	G	3₁₀ helix	trans	-49	-39.1	-174.5	177.6	-126.4	0	0	0	114.6	A18 Y21 S25 Y26 M28 P47 V66 S71 A73	A18-F23 HydrophobicContact CB-CB 3.92Å; A18-F23 HydrophobicContact CB-CD2 3.5Å; A18-F23 HydrophobicContact CB-CE2 4.31Å; A18-F23 HydrophobicContact CB-CG 4.01Å; Y21-F23 PolarHBondContact O-N 3.48Å; Y21-F23 VanDerWaalsContact O-N 3.07Å; F23-S25 VanDerWaalsContact C-N 3.27Å; F23-S25 PolarHBondContact O-N 3.34Å; F23-Y26 PolarHBondContact O-N 2.84Å; F23-M28 HydrophobicContact CD2-CE 4.45Å; F23-M28 HydrophobicContact CE2-CE 3.98Å; F23-P47 HydrophobicContact CD1-CB 3.8Å; F23-P47 HydrophobicContact CD2-CB 4.28Å; F23-P47 HydrophobicContact CD2-CG 4.11Å; F23-P47 HydrophobicContact CE1-CB 3.5Å; F23-P47 HydrophobicContact CE1-CG 4.17Å; F23-P47 HydrophobicContact CE2-CB 4Å; F23-P47 HydrophobicContact CE2-CG 3.72Å; F23-P47 HydrophobicContact CG-CB 4.22Å; F23-P47 HydrophobicContact CZ-CB 3.61Å; F23-P47 HydrophobicContact CZ-CG 3.77Å; F23-P47 WeakPolarHBondContact O-CG 3.49Å; F23-V66 HydrophobicContact CE1-CB 4.43Å; F23-V66 HydrophobicContact CE1-CG1 4.46Å; F23-V66 HydrophobicContact CZ-CB 4.45Å; F23-V66 HydrophobicContact CZ-CG1 4.07Å; F23-S71 VanDerWaalsContact CD1-CA 3.47Å; F23-A73 HydrophobicContact CE2-CB 4.24Å; F23-A73 HydrophobicContact CZ-CB 4.01Å
24	T	93.6	Very high	93.4	Very high	57 Å²	57	41.5 Å²	41.5	35%	0.35	24%	0.241	S	C	.	.	G	3₁₀ helix	trans	-75	-10.9	-178.4	50.4	0	0	0	0	114.6	T22 S48	T22-T24 PolarHBondContact O-N 3.2Å; T22-T24 VanDerWaalsContact O-N 3.07Å; T24-S48 WeakPolarHBondContact O-CB 3.44Å
25	S	90.9	Very high	93.2	Very high	49 Å²	49	47 Å²	47	34%	0.343	28%	0.278	S	S	.	.	G	3₁₀ helix	trans	-88.2	-4.9	176.9	-57.7	0	0	0	0	113.5	T22 F23 G95	T22-S25 WeakPolarHBondContact CG2-OG 3.46Å; T22-S25 WeakPolarHBondContact O-CB 3.49Å; T22-S25 PolarHBondContact O-N 3.01Å; F23-S25 VanDerWaalsContact C-N 3.27Å; F23-S25 PolarHBondContact O-N 3.34Å; S25-G95 PolarHBondContact O-N 3.07Å; S25-G95 VanDerWaalsContact O-N 3.15Å
26	Y	90.8	Very high	93.1	Very high	28 Å²	28	49.1 Å²	49.1	11%	0.11	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	148.1	-173.4	-74.7	-106.2	0	0	0	111.5	Y21 T22 F23 P47 I93 Y94 Y104	Y21-Y26 HydrophobicContact CD2-CD1 4.42Å; Y21-Y26 AromaticContact CD2-CD2 3.38Å; Y21-Y26 HydrophobicContact CD2-CD2 3.38Å; Y21-Y26 AromaticContact CD2-CE2 3.54Å; Y21-Y26 HydrophobicContact CD2-CE2 3.54Å; Y21-Y26 AromaticContact CD2-CG 3.87Å; Y21-Y26 HydrophobicContact CD2-CG 3.87Å; Y21-Y26 HydrophobicContact CE2-CD1 4.45Å; Y21-Y26 AromaticContact CE2-CD2 3.89Å; Y21-Y26 HydrophobicContact CE2-CD2 3.89Å; Y21-Y26 HydrophobicContact CE2-CE2 4.41Å; Y21-Y26 AromaticContact CE2-CG 3.92Å; Y21-Y26 HydrophobicContact CE2-CG 3.92Å; Y21-Y26 HydrophobicContact CG-CD2 4.27Å; Y21-Y26 AromaticContact CG-CE2 3.98Å; Y21-Y26 HydrophobicContact CG-CE2 3.98Å; T22-Y26 WeakPolarHBondContact O-CD2 3.37Å; F23-Y26 PolarHBondContact O-N 2.84Å; Y26-P47 WeakPolarHBondContact O-CD 3.45Å; Y26-P47 WeakPolarHBondContact O-CG 3.23Å; Y26-I93 CarbonylContact C-O 3.49Å; Y26-I93 WeakPolarHBondContact CA-O 3.34Å; Y26-I93 WeakPolarHBondContact CD1-O 3.17Å; Y26-Y94 VanDerWaalsContact CD1-N 3.33Å; Y26-Y94 HydrophobicContact CD2-CD2 4.18Å; Y26-Y94 HydrophobicContact CE1-CD2 4.12Å; Y26-Y94 HydrophobicContact CE1-CG 4.37Å; Y26-Y94 AromaticContact CE2-CD2 3.59Å; Y26-Y94 HydrophobicContact CE2-CD2 3.59Å; Y26-Y94 HydrophobicContact CE2-CE2 4.32Å; Y26-Y94 AromaticContact CZ-CD2 3.54Å; Y26-Y104 HydrophobicContact CD1-CD2 4.34Å; Y26-Y104 AromaticContact CE1-CD2 3.78Å; Y26-Y104 HydrophobicContact CE1-CD2 3.78Å; Y26-Y104 AromaticContact CE1-CE2 3.65Å; Y26-Y104 HydrophobicContact CE1-CE2 3.65Å; Y26-Y104 AromaticContact CZ-CE2 3.8Å
27	W	92.9	Very high	93	Very high	42 Å²	42	53.2 Å²	53.2	16%	0.159	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	131	161.7	-69.2	94.6	0	0	0	109.6	Y44 N46 Y51 G92 I93 G95	W27-Y44 HydrophobicContact CD2-CD2 4.38Å; W27-Y44 AromaticContact CE3-CD2 3.4Å; W27-Y44 HydrophobicContact CE3-CD2 3.4Å; W27-Y44 AromaticContact CE3-CE2 3.72Å; W27-Y44 HydrophobicContact CE3-CE2 3.72Å; W27-Y44 HydrophobicContact CE3-CG 4.48Å; W27-Y44 HydrophobicContact CH2-CE2 4.18Å; W27-Y44 AromaticContact CZ3-CD2 3.5Å; W27-Y44 HydrophobicContact CZ3-CD2 3.5Å; W27-Y44 AromaticContact CZ3-CE2 3.45Å; W27-Y44 HydrophobicContact CZ3-CE2 3.45Å; W27-Y44 VanDerWaalsContact CZ3-CE2 3.45Å; W27-N46 HydrophobicContact CD2-CB 4.28Å; W27-N46 HydrophobicContact CE3-CB 3.68Å; W27-N46 HydrophobicContact CH2-CB 3.69Å; W27-N46 HydrophobicContact CZ2-CB 4.24Å; W27-N46 VanDerWaalsContact CZ2-ND2 3.29Å; W27-N46 WeakPolarHBondContact CZ2-ND2 3.31Å; W27-N46 HydrophobicContact CZ3-CB 3.39Å; W27-Y51 AromaticContact CH2-CD1 3.62Å; W27-Y51 HydrophobicContact CH2-CD1 3.62Å; W27-Y51 HydrophobicContact CH2-CE1 4.19Å; W27-Y51 AromaticContact CZ3-CD1 3.68Å; W27-Y51 HydrophobicContact CZ3-CD1 3.68Å; W27-Y51 HydrophobicContact CZ3-CE1 4.31Å; W27-G92 WeakPolarHBondContact O-CA 3.41Å; W27-I93 PolarHBondContact N-O 2.84Å; W27-I93 PolarHBondContact O-N 2.79Å; W27-G95 PolarHBondContact NE1-O 3.29Å
28	M	95.1	Very high	93	Very high	1 Å²	1	48.6 Å²	48.6	1%	0.005	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	111.8	176.2	-173.9	61.4	67.3	0	0	110.1	Y21 F23 Y44 I45 P47 A73 C90	Y21-M28 WeakPolarHBondContact OH-CE 3.36Å; F23-M28 HydrophobicContact CD2-CE 4.45Å; F23-M28 HydrophobicContact CE2-CE 3.98Å; M28-Y44 CarbonylContact O-C 3.56Å; M28-Y44 WeakPolarHBondContact O-CA 3.11Å; M28-Y44 WeakPolarHBondContact O-CB 3.09Å; M28-I45 HydrophobicContact CB-CG2 3.95Å; M28-I45 PolarHBondContact N-O 3.44Å; M28-I45 PolarHBondContact O-N 2.86Å; M28-P47 HydrophobicContact CB-CG 4.39Å; M28-A73 HydrophobicContact CB-CB 4.24Å; M28-A73 HydrophobicContact CG-CB 3.63Å; M28-C90 HydrophobicContact SD-CB 3.73Å
29	H	95.8	Very high	93.1	Very high	24 Å²	24	51.4 Å²	51.4	11%	0.111	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	147.5	175.9	-69.7	-106.6	0	0	0	111	W41 Y44 C90 A91 M102	H29-W41 AromaticContact ND1-CD1 3.69Å; H29-W41 AromaticContact ND1-NE1 3.76Å; H29-Y44 AromaticContact CE1-CD1 3.64Å; H29-Y44 AromaticContact CE1-CG 3.83Å; H29-Y44 AromaticContact ND1-CD1 3.98Å; H29-C90 CarbonylContact O-C 3.56Å; H29-C90 VanDerWaalsContact O-CA 3.23Å; H29-C90 WeakPolarHBondContact O-CA 3.41Å; H29-A91 HydrophobicContact CB-CB 4.44Å; H29-A91 PolarHBondContact N-O 2.84Å; H29-A91 PolarHBondContact O-N 3.07Å; H29-M102 HydrophobicContact CB-CE 3.48Å; H29-M102 VanDerWaalsContact CB-CE 3.48Å
30	W	97.4	Very high	93.5	Very high	4 Å²	4	48.3 Å²	48.3	2%	0.015	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	130.6	170.4	-71.6	89.6	0	0	0	109.8	L14 C16 I42 G43 L64 A73 M75 Y89 C90	L14-W30 HydrophobicContact CB-CH2 3.91Å; L14-W30 HydrophobicContact CB-CZ3 3.76Å; L14-W30 HydrophobicContact CD1-CZ3 4.39Å; C16-W30 HydrophobicContact CB-CH2 3.9Å; C16-W30 HydrophobicContact CB-CZ2 4.02Å; W30-I42 HydrophobicContact CB-CB 4.15Å; W30-I42 HydrophobicContact CB-CD1 4.38Å; W30-I42 WeakPolarHBondContact O-CB 3.36Å; W30-I42 PolarHBondContact O-N 2.82Å; W30-G43 PolarHBondContact N-O 2.71Å; W30-L64 VanDerWaalsContact CD1-CD2 3.49Å; W30-L64 HydrophobicContact CG-CD2 4.01Å; W30-A73 HydrophobicContact CZ2-CB 4.37Å; W30-M75 HydrophobicContact CB-SD 4.18Å; W30-M75 HydrophobicContact CD2-CB 3.51Å; W30-M75 HydrophobicContact CD2-CG 4.36Å; W30-M75 HydrophobicContact CD2-SD 4.27Å; W30-M75 HydrophobicContact CE3-CB 3.77Å; W30-M75 HydrophobicContact CE3-CE 4.19Å; W30-M75 HydrophobicContact CE3-SD 4.15Å; W30-M75 HydrophobicContact CG-CB 4.01Å; W30-M75 HydrophobicContact CG-CG 4.49Å; W30-M75 HydrophobicContact CG-SD 4.3Å; W30-M75 HydrophobicContact CH2-CB 4.07Å; W30-M75 HydrophobicContact CZ2-CB 3.84Å; W30-M75 HydrophobicContact CZ3-CB 4.04Å; W30-Y89 WeakPolarHBondContact CA-O 3.43Å; W30-C90 HydrophobicContact CE3-CB 4.37Å; W30-C90 HydrophobicContact CH2-CB 4.42Å; W30-C90 HydrophobicContact CZ3-CB 4.32Å
31	V	97.1	Very high	93.9	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	138.1	-172.1	-171.9	0	0	0	0	109.1	L39 E40 W41 Y88 Y89 M102 W105	V31-L39 HydrophobicContact CG1-CB 3.78Å; V31-L39 HydrophobicContact CG1-CD2 3.9Å; V31-L39 HydrophobicContact CG1-CG 4.3Å; V31-E40 WeakPolarHBondContact CA-O 3.45Å; V31-W41 HydrophobicContact CG1-CD2 4.48Å; V31-W41 HydrophobicContact CG2-CD2 4.2Å; V31-W41 HydrophobicContact CG2-CG 4.23Å; V31-W41 HydrophobicContact CG2-CZ2 4.48Å; V31-Y88 CarbonylContact O-C 3.56Å; V31-Y88 WeakPolarHBondContact O-CA 3.32Å; V31-Y89 PolarHBondContact N-O 2.94Å; V31-Y89 PolarHBondContact O-N 2.74Å; V31-M102 HydrophobicContact CG2-CE 4.44Å; V31-W105 HydrophobicContact CB-CH2 4.41Å; V31-W105 HydrophobicContact CB-CZ3 4.22Å; V31-W105 HydrophobicContact CG1-CH2 4.37Å; V31-W105 HydrophobicContact CG1-CZ3 4.44Å; V31-W105 HydrophobicContact CG2-CH2 4.08Å; V31-W105 HydrophobicContact CG2-CZ3 4.2Å
32	K	96.1	Very high	94.5	Very high	1 Å²	1	47.1 Å²	47.1	0%	0.004	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	138.1	176.2	-178.5	-178.4	178.7	-179.1	0	109.3	R34 E40 I42 F58 E83 D84 A86 Y88	K32-R34 VanDerWaalsContact NZ-NH2 3.16Å; K32-E40 HydrophobicContact CB-CB 4.48Å; K32-E40 PolarHBondContact N-O 2.98Å; K32-E40 PolarHBondContact O-N 3.47Å; K32-I42 HydrophobicContact CB-CD1 4.14Å; K32-I42 HydrophobicContact CB-CG1 4.27Å; K32-F58 HydrophobicContact CD-CE1 4.22Å; K32-F58 HydrophobicContact CD-CZ 4.26Å; K32-E83 WeakPolarHBondContact CE-O 3.29Å; K32-E83 PolarHBondContact NZ-O 2.77Å; K32-D84 IonicContact NZ-OD1 3.01Å; K32-D84 PolarHBondContact NZ-OD1 3.2Å; K32-A86 HydrophobicContact CD-CB 4.14Å; K32-A86 HydrophobicContact CG-CB 3.49Å; K32-A86 VanDerWaalsContact CG-CB 3.49Å; K32-Y88 HydrophobicContact CB-CD1 4.19Å; K32-Y88 HydrophobicContact CB-CE1 4.02Å; K32-Y88 HydrophobicContact CD-CE1 3.96Å; K32-Y88 WeakPolarHBondContact CE-OH 3.23Å; K32-Y88 HydrophobicContact CG-CD1 4.33Å; K32-Y88 HydrophobicContact CG-CE1 3.85Å
33	Q	97.1	Very high	94.8	Very high	67 Å²	67	43.1 Å²	43.1	31%	0.313	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	118.3	172	-166.3	-179.7	23.8	0	0	110.3	L39 A86 V87 Y89	Q33-L39 HydrophobicContact CB-CD2 3.98Å; Q33-L39 HydrophobicContact CG-CD2 4.07Å; Q33-A86 WeakPolarHBondContact O-CA 3.14Å; Q33-A86 VanDerWaalsContact O-CB 3.29Å; Q33-A86 WeakPolarHBondContact O-CB 3.43Å; Q33-V87 PolarHBondContact N-O 2.89Å; Q33-V87 PolarHBondContact O-N 2.89Å; Q33-Y89 HydrophobicContact CB-CD2 4.41Å; Q33-Y89 HydrophobicContact CB-CE2 3.81Å; Q33-Y89 PolarHBondContact OE1-OH 3.13Å
34	R	95.6	Very high	94.9	Very high	52 Å²	52	45.5 Å²	45.5	20%	0.196	26%	0.264	C	S	.	.			trans	-86.8	152.4	170.4	-62.5	-166.7	-167.5	86.8	0.7	110.3	K32 G36 Q37 E40 E83 A86	K32-R34 VanDerWaalsContact NZ-NH2 3.16Å; R34-G36 PolarHBondContact O-N 3.1Å; R34-Q37 HydrophobicContact CB-CB 4.04Å; R34-Q37 HydrophobicContact CB-CG 4.03Å; R34-Q37 PolarHBondContact O-N 3.01Å; R34-E40 IonicContact CZ-OE1 2.98Å; R34-E40 IonicContact NH1-OE1 2.66Å; R34-E40 PolarHBondContact NH1-OE1 3.42Å; R34-E40 IonicContact NH2-OE1 3.91Å; R34-E83 PolarHBondContact NE-O 2.8Å; R34-E83 PolarHBondContact NH2-O 2.99Å; R34-A86 HydrophobicContact CG-CB 4.21Å
35	P	92.2	Very high	95.1	Very high	120 Å²	120	43 Å²	43	78%	0.779	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	-51.7	127.7	172.1	-25.8	34.7	0	0	0	111.5	Q37	P35-Q37 PolarHBondContact O-N 2.73Å
36	G	94	Very high	95.3	Very high	94 Å²	94	41.9 Å²	41.9	97%	0.969	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	71.6	5.7	-179.6	0	0	0	0	0	115.8	R34	R34-G36 PolarHBondContact O-N 3.1Å
37	Q	94.2	Very high	95.6	Very high	97 Å²	97	40.6 Å²	40.6	45%	0.453	23%	0.233	S	C	.	.	S	Bend	trans	-114.5	159.5	178	-58.8	-173.1	1.6	0	0	111.9	R34 P35	R34-Q37 HydrophobicContact CB-CB 4.04Å; R34-Q37 HydrophobicContact CB-CG 4.03Å; R34-Q37 PolarHBondContact O-N 3.01Å; P35-Q37 PolarHBondContact O-N 2.73Å
38	G	94.4	Very high	95.7	Very high	54 Å²	54	41.5 Å²	41.5	56%	0.557	25%	0.246	S	C	*	.			trans	-69.3	175	173	0	0	0	0	0	113.3
39	L	95.2	Very high	95.7	Very high	70 Å²	70	45.4 Å²	45.4	37%	0.366	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	130.5	176.2	-63.9	174.9	0	0	0	111.1	V31 Q33 W41 W105	V31-L39 HydrophobicContact CG1-CB 3.78Å; V31-L39 HydrophobicContact CG1-CD2 3.9Å; V31-L39 HydrophobicContact CG1-CG 4.3Å; Q33-L39 HydrophobicContact CB-CD2 3.98Å; Q33-L39 HydrophobicContact CG-CD2 4.07Å; L39-W41 HydrophobicContact CB-CE3 4.31Å; L39-W41 HydrophobicContact CB-CH2 4.16Å; L39-W41 HydrophobicContact CB-CZ3 3.66Å; L39-W41 HydrophobicContact CD1-CH2 4.16Å; L39-W41 HydrophobicContact CD1-CZ3 4.49Å; L39-W105 HydrophobicContact CD1-CH2 3.82Å; L39-W105 HydrophobicContact CD1-CZ2 4.41Å
40	E	95.9	Very high	95.7	Very high	32 Å²	32	45.9 Å²	45.9	15%	0.15	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	113.9	174.8	-68.6	-166.5	-98	0	0	110.7	V31 K32 R34 I42 K57 F58	V31-E40 WeakPolarHBondContact CA-O 3.45Å; K32-E40 HydrophobicContact CB-CB 4.48Å; K32-E40 PolarHBondContact N-O 2.98Å; K32-E40 PolarHBondContact O-N 3.47Å; R34-E40 IonicContact CZ-OE1 2.98Å; R34-E40 IonicContact NH1-OE1 2.66Å; R34-E40 PolarHBondContact NH1-OE1 3.42Å; R34-E40 IonicContact NH2-OE1 3.91Å; E40-I42 PolarHBondContact O-N 2.79Å; E40-K57 IonicContact OE2-NZ 3.93Å; E40-K57 PolarHBondContact OE2-NZ 2.86Å; E40-F58 HydrophobicContact CB-CZ 4.47Å
41	W	95.8	Very high	95.6	Very high	102 Å²	102	51.7 Å²	51.7	39%	0.386	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.2	126	175.5	-85.3	-103.6	0	0	0	111.5	H29 V31 L39 N55 M102	H29-W41 AromaticContact ND1-CD1 3.69Å; H29-W41 AromaticContact ND1-NE1 3.76Å; V31-W41 HydrophobicContact CG1-CD2 4.48Å; V31-W41 HydrophobicContact CG2-CD2 4.2Å; V31-W41 HydrophobicContact CG2-CG 4.23Å; V31-W41 HydrophobicContact CG2-CZ2 4.48Å; L39-W41 HydrophobicContact CB-CE3 4.31Å; L39-W41 HydrophobicContact CB-CH2 4.16Å; L39-W41 HydrophobicContact CB-CZ3 3.66Å; L39-W41 HydrophobicContact CD1-CH2 4.16Å; L39-W41 HydrophobicContact CD1-CZ3 4.49Å; W41-N55 WeakPolarHBondContact O-CB 3.41Å; W41-N55 PolarHBondContact O-ND2 2.92Å; W41-N55 VanDerWaalsContact O-ND2 3.11Å; W41-M102 HydrophobicContact CZ2-CE 3.86Å; W41-M102 HydrophobicContact CZ2-SD 3.76Å
42	I	97.1	Very high	95.7	Very high	0 Å²	0	54 Å²	54	0%	0	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	-46.3	176.6	-59.9	179.5	0	0	0	109.9	W30 K32 E40 N55 F58 A62 M75 Y88	W30-I42 HydrophobicContact CB-CB 4.15Å; W30-I42 HydrophobicContact CB-CD1 4.38Å; W30-I42 WeakPolarHBondContact O-CB 3.36Å; W30-I42 PolarHBondContact O-N 2.82Å; K32-I42 HydrophobicContact CB-CD1 4.14Å; K32-I42 HydrophobicContact CB-CG1 4.27Å; E40-I42 PolarHBondContact O-N 2.79Å; I42-N55 PolarHBondContact O-N 3.13Å; I42-F58 HydrophobicContact CB-CD1 4.23Å; I42-F58 HydrophobicContact CB-CD2 4.4Å; I42-F58 HydrophobicContact CB-CG 4.14Å; I42-F58 HydrophobicContact CD1-CD1 4.5Å; I42-F58 HydrophobicContact CD1-CE1 4.35Å; I42-F58 HydrophobicContact CG1-CD1 3.88Å; I42-F58 HydrophobicContact CG1-CD2 4.4Å; I42-F58 HydrophobicContact CG1-CE1 3.79Å; I42-F58 HydrophobicContact CG1-CE2 4.28Å; I42-F58 HydrophobicContact CG1-CG 4.21Å; I42-F58 HydrophobicContact CG1-CZ 3.99Å; I42-F58 HydrophobicContact CG2-CB 3.82Å; I42-F58 HydrophobicContact CG2-CD1 3.88Å; I42-F58 HydrophobicContact CG2-CG 3.85Å; I42-A62 HydrophobicContact CG2-CB 3.82Å; I42-M75 HydrophobicContact CD1-CE 4.34Å; I42-M75 HydrophobicContact CD1-SD 3.43Å; I42-M75 WeakPolarHBondContact CD1-SD 3.42Å; I42-M75 HydrophobicContact CG2-SD 4.16Å; I42-Y88 HydrophobicContact CD1-CD1 3.72Å; I42-Y88 HydrophobicContact CD1-CE1 3.77Å
43	G	96.6	Very high	95.7	Very high	5 Å²	5	59.1 Å²	59.1	5%	0.052	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	163.5	-173.9	-174.7	0	0	0	0	0	111	W30 K53	W30-G43 PolarHBondContact N-O 2.71Å; G43-K53 CarbonylContact C-O 3.58Å; G43-K53 WeakPolarHBondContact CA-O 3.39Å
44	Y	96.1	Very high	95.7	Very high	57 Å²	57	59 Å²	59	22%	0.224	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.7	157.6	177.8	58.1	-99.2	0	0	0	111.8	W27 M28 H29 Y51 T52 K53	W27-Y44 HydrophobicContact CD2-CD2 4.38Å; W27-Y44 AromaticContact CE3-CD2 3.4Å; W27-Y44 HydrophobicContact CE3-CD2 3.4Å; W27-Y44 AromaticContact CE3-CE2 3.72Å; W27-Y44 HydrophobicContact CE3-CE2 3.72Å; W27-Y44 HydrophobicContact CE3-CG 4.48Å; W27-Y44 HydrophobicContact CH2-CE2 4.18Å; W27-Y44 AromaticContact CZ3-CD2 3.5Å; W27-Y44 HydrophobicContact CZ3-CD2 3.5Å; W27-Y44 AromaticContact CZ3-CE2 3.45Å; W27-Y44 HydrophobicContact CZ3-CE2 3.45Å; W27-Y44 VanDerWaalsContact CZ3-CE2 3.45Å; M28-Y44 CarbonylContact O-C 3.56Å; M28-Y44 WeakPolarHBondContact O-CA 3.11Å; M28-Y44 WeakPolarHBondContact O-CB 3.09Å; H29-Y44 AromaticContact CE1-CD1 3.64Å; H29-Y44 AromaticContact CE1-CG 3.83Å; H29-Y44 AromaticContact ND1-CD1 3.98Å; Y44-Y51 HydrophobicContact CE2-CE1 4.2Å; Y44-T52 WeakPolarHBondContact O-CA 3.16Å; Y44-K53 HydrophobicContact CD1-CB 4.36Å; Y44-K53 HydrophobicContact CD2-CB 4.31Å; Y44-K53 HydrophobicContact CE1-CB 3.79Å; Y44-K53 HydrophobicContact CE1-CD 3.86Å; Y44-K53 HydrophobicContact CE1-CG 4.28Å; Y44-K53 HydrophobicContact CE2-CB 3.76Å; Y44-K53 VanDerWaalsContact CZ-CB 3.5Å; Y44-K53 PolarHBondContact N-O 2.99Å; Y44-K53 PolarHBondContact O-N 3.09Å; Y44-K53 WeakPolarHBondContact OH-CD 3.25Å
45	I	97.1	Very high	95.7	Very high	3 Å²	3	59.5 Å²	59.5	2%	0.015	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	136.9	176.8	-173.7	163.4	0	0	0	110.1	M28 P47 Y51 T52 L64 V66	M28-I45 HydrophobicContact CB-CG2 3.95Å; M28-I45 PolarHBondContact N-O 3.44Å; M28-I45 PolarHBondContact O-N 2.86Å; I45-P47 WeakPolarHBondContact O-CD 3.07Å; I45-Y51 CarbonylContact C-O 3.58Å; I45-Y51 VanDerWaalsContact CA-O 3.31Å; I45-Y51 WeakPolarHBondContact CA-O 3.37Å; I45-T52 HydrophobicContact CB-CG2 3.92Å; I45-T52 HydrophobicContact CD1-CG2 3.65Å; I45-T52 HydrophobicContact CG1-CG2 3.68Å; I45-L64 HydrophobicContact CB-CB 4.11Å; I45-L64 HydrophobicContact CB-CD1 4.35Å; I45-L64 HydrophobicContact CD1-CB 4.21Å; I45-L64 HydrophobicContact CG2-CB 4.4Å; I45-V66 HydrophobicContact CD1-CB 4.38Å; I45-V66 HydrophobicContact CD1-CG1 3.63Å; I45-V66 HydrophobicContact CD1-CG2 4.2Å; I45-V66 HydrophobicContact CG1-CG1 3.95Å; I45-V66 HydrophobicContact CG2-CG1 3.89Å
46	N	95.8	Very high	95.8	Very high	26 Å²	26	60.8 Å²	60.8	14%	0.139	34%	0.344	C	S	.	.			trans	-81.8	113.8	166	-167.4	-60.5	0	0	0	108.6	W27 S48 S49 G50 Y51	W27-N46 HydrophobicContact CD2-CB 4.28Å; W27-N46 HydrophobicContact CE3-CB 3.68Å; W27-N46 HydrophobicContact CH2-CB 3.69Å; W27-N46 HydrophobicContact CZ2-CB 4.24Å; W27-N46 VanDerWaalsContact CZ2-ND2 3.29Å; W27-N46 WeakPolarHBondContact CZ2-ND2 3.31Å; W27-N46 HydrophobicContact CZ3-CB 3.39Å; N46-S48 PolarHBondContact O-N 2.67Å; N46-S48 WeakPolarHBondContact OD1-CA 3.33Å; N46-S48 WeakPolarHBondContact OD1-CB 3.47Å; N46-S48 PolarHBondContact OD1-N 2.87Å; N46-S49 WeakPolarHBondContact CB-OG 3.15Å; N46-S49 PolarHBondContact OD1-N 3.11Å; N46-S49 VanDerWaalsContact OD1-N 3.07Å; N46-G50 VanDerWaalsContact O-CA 3.22Å; N46-G50 WeakPolarHBondContact O-CA 3.35Å; N46-G50 PolarHBondContact O-N 3.29Å; N46-Y51 PolarHBondContact N-O 3.05Å
47	P	95.7	Very high	95.7	Very high	1 Å²	1	62.6 Å²	62.6	1%	0.006	33%	0.325	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.1	-23	178.9	-19.8	34.8	0	0	0	113.9	F23 Y26 M28 I45 V66 K68	F23-P47 HydrophobicContact CD1-CB 3.8Å; F23-P47 HydrophobicContact CD2-CB 4.28Å; F23-P47 HydrophobicContact CD2-CG 4.11Å; F23-P47 HydrophobicContact CE1-CB 3.5Å; F23-P47 HydrophobicContact CE1-CG 4.17Å; F23-P47 HydrophobicContact CE2-CB 4Å; F23-P47 HydrophobicContact CE2-CG 3.72Å; F23-P47 HydrophobicContact CG-CB 4.22Å; F23-P47 HydrophobicContact CZ-CB 3.61Å; F23-P47 HydrophobicContact CZ-CG 3.77Å; F23-P47 WeakPolarHBondContact O-CG 3.49Å; Y26-P47 WeakPolarHBondContact O-CD 3.45Å; Y26-P47 WeakPolarHBondContact O-CG 3.23Å; M28-P47 HydrophobicContact CB-CG 4.39Å; I45-P47 WeakPolarHBondContact O-CD 3.07Å; P47-V66 HydrophobicContact CB-CG1 3.98Å; P47-V66 HydrophobicContact CG-CG1 4.28Å; P47-K68 WeakPolarHBondContact O-CE 3.04Å
48	S	95.2	Very high	95.6	Very high	62 Å²	62	58.4 Å²	58.4	43%	0.434	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.1	-51.6	175.5	-174	0	0	0	0	112.2	T24 N46 K68	T24-S48 WeakPolarHBondContact O-CB 3.44Å; N46-S48 PolarHBondContact O-N 2.67Å; N46-S48 WeakPolarHBondContact OD1-CA 3.33Å; N46-S48 WeakPolarHBondContact OD1-CB 3.47Å; N46-S48 PolarHBondContact OD1-N 2.87Å; S48-K68 VanDerWaalsContact O-CE 3.23Å; S48-K68 WeakPolarHBondContact O-CE 3.15Å; S48-K68 PolarHBondContact O-NZ 2.82Å
49	S	95.6	Very high	95.6	Very high	83 Å²	83	62.4 Å²	62.4	58%	0.58	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96	-16.5	-175.1	65.4	0	0	0	0	114.7	N46 Y51	N46-S49 WeakPolarHBondContact CB-OG 3.15Å; N46-S49 PolarHBondContact OD1-N 3.11Å; N46-S49 VanDerWaalsContact OD1-N 3.07Å; S49-Y51 PolarHBondContact O-N 2.7Å; S49-Y51 WeakPolarHBondContact OG-CB 3.5Å; S49-Y51 PolarHBondContact OG-N 3.35Å
50	G	95.7	Very high	95.4	Very high	34 Å²	34	62.6 Å²	62.6	35%	0.351	33%	0.326	S	S	.	.			trans	73.7	3.9	-170.1	0	0	0	0	0	113.8	N46 T52	N46-G50 VanDerWaalsContact O-CA 3.22Å; N46-G50 WeakPolarHBondContact O-CA 3.35Å; N46-G50 PolarHBondContact O-N 3.29Å; G50-T52 PolarHBondContact O-N 3.44Å
51	Y	96.5	Very high	95.3	Very high	126 Å²	126	66.4 Å²	66.4	49%	0.494	34%	0.342	S	S	.	.			trans	-61.2	132.8	177.5	174.3	-90.9	0	0	0	110.6	W27 Y44 I45 N46 S49 K53	W27-Y51 AromaticContact CH2-CD1 3.62Å; W27-Y51 HydrophobicContact CH2-CD1 3.62Å; W27-Y51 HydrophobicContact CH2-CE1 4.19Å; W27-Y51 AromaticContact CZ3-CD1 3.68Å; W27-Y51 HydrophobicContact CZ3-CD1 3.68Å; W27-Y51 HydrophobicContact CZ3-CE1 4.31Å; Y44-Y51 HydrophobicContact CE2-CE1 4.2Å; I45-Y51 CarbonylContact C-O 3.58Å; I45-Y51 VanDerWaalsContact CA-O 3.31Å; I45-Y51 WeakPolarHBondContact CA-O 3.37Å; N46-Y51 PolarHBondContact N-O 3.05Å; S49-Y51 PolarHBondContact O-N 2.7Å; S49-Y51 WeakPolarHBondContact OG-CB 3.5Å; S49-Y51 PolarHBondContact OG-N 3.35Å; Y51-K53 HydrophobicContact CE1-CB 4.21Å
52	T	97.4	Very high	95.3	Very high	48 Å²	48	61.8 Å²	61.8	29%	0.294	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	145.2	179.5	55.7	0	0	0	0	111.5	Y44 I45 G50 L64	Y44-T52 WeakPolarHBondContact O-CA 3.16Å; I45-T52 HydrophobicContact CB-CG2 3.92Å; I45-T52 HydrophobicContact CD1-CG2 3.65Å; I45-T52 HydrophobicContact CG1-CG2 3.68Å; G50-T52 PolarHBondContact O-N 3.44Å; T52-L64 HydrophobicContact CG2-CB 3.92Å
53	K	96.7	Very high	95.4	Very high	109 Å²	109	65.1 Å²	65.1	47%	0.474	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	137.6	166.3	-167.2	-178.3	-175.6	179.2	0	109.2	G43 Y44 Y51	G43-K53 CarbonylContact C-O 3.58Å; G43-K53 WeakPolarHBondContact CA-O 3.39Å; Y44-K53 HydrophobicContact CD1-CB 4.36Å; Y44-K53 HydrophobicContact CD2-CB 4.31Å; Y44-K53 HydrophobicContact CE1-CB 3.79Å; Y44-K53 HydrophobicContact CE1-CD 3.86Å; Y44-K53 HydrophobicContact CE1-CG 4.28Å; Y44-K53 HydrophobicContact CE2-CB 3.76Å; Y44-K53 VanDerWaalsContact CZ-CB 3.5Å; Y44-K53 PolarHBondContact N-O 2.99Å; Y44-K53 PolarHBondContact O-N 3.09Å; Y44-K53 WeakPolarHBondContact OH-CD 3.25Å; Y51-K53 HydrophobicContact CE1-CB 4.21Å
54	Y	97.1	Very high	95.4	Very high	63 Å²	63	65.3 Å²	65.3	25%	0.247	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	146.6	-179	-61.1	-91.1	0	0	0	110.2	A62 L64	Y54-A62 HydrophobicContact CE1-CB 4.28Å; Y54-A62 WeakPolarHBondContact CE1-O 3.04Å; Y54-L64 HydrophobicContact CE1-CD1 4.18Å; Y54-L64 HydrophobicContact CE1-CG 3.74Å; Y54-L64 PolarHBondContact OH-N 3.5Å
55	N	95.8	Very high	95.5	Very high	64 Å²	64	65.6 Å²	65.6	34%	0.342	35%	0.354	S	S	.	.			trans	-66.2	141.7	159.3	-179.2	-35.6	0	0	0	108.8	W41 I42 K57 F58 K59	W41-N55 WeakPolarHBondContact O-CB 3.41Å; W41-N55 PolarHBondContact O-ND2 2.92Å; W41-N55 VanDerWaalsContact O-ND2 3.11Å; I42-N55 PolarHBondContact O-N 3.13Å; N55-K57 PolarHBondContact O-N 2.91Å; N55-K57 VanDerWaalsContact O-N 3.13Å; N55-K57 PolarHBondContact OD1-N 3.28Å; N55-K57 VanDerWaalsContact OD1-N 3.1Å; N55-F58 HydrophobicContact CB-CD2 4.06Å; N55-F58 PolarHBondContact O-N 2.89Å; N55-K59 PolarHBondContact O-N 3.29Å; N55-K59 VanDerWaalsContact O-N 3.09Å
56	Q	94.9	Very high	95.6	Very high	146 Å²	146	67.2 Å²	67.2	68%	0.682	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.6	-35.4	-177.3	-170.4	62.5	13.6	0	0	113.2	F58 K59	Q56-F58 PolarHBondContact O-N 2.96Å; Q56-K59 PolarHBondContact O-N 2.8Å
57	K	91.4	Very high	95.6	Very high	132 Å²	132	68.5 Å²	68.5	57%	0.574	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.9	-26.9	176.8	-71.7	-177.6	176.4	-178.9	0	113.9	E40 N55	E40-K57 IonicContact OE2-NZ 3.93Å; E40-K57 PolarHBondContact OE2-NZ 2.86Å; N55-K57 PolarHBondContact O-N 2.91Å; N55-K57 VanDerWaalsContact O-N 3.13Å; N55-K57 PolarHBondContact OD1-N 3.28Å; N55-K57 VanDerWaalsContact OD1-N 3.1Å
58	F	92.7	Very high	95.6	Very high	9 Å²	9	74 Å²	74	4%	0.039	40%	0.395	C	S	.	.	T	Hydrogen-bonded Turn	trans	-110.7	-6.4	-171.9	-64.5	-87.6	0	0	0	113.2	K32 E40 I42 N55 Q56 G60 K61 A62	K32-F58 HydrophobicContact CD-CE1 4.22Å; K32-F58 HydrophobicContact CD-CZ 4.26Å; E40-F58 HydrophobicContact CB-CZ 4.47Å; I42-F58 HydrophobicContact CB-CD1 4.23Å; I42-F58 HydrophobicContact CB-CD2 4.4Å; I42-F58 HydrophobicContact CB-CG 4.14Å; I42-F58 HydrophobicContact CD1-CD1 4.5Å; I42-F58 HydrophobicContact CD1-CE1 4.35Å; I42-F58 HydrophobicContact CG1-CD1 3.88Å; I42-F58 HydrophobicContact CG1-CD2 4.4Å; I42-F58 HydrophobicContact CG1-CE1 3.79Å; I42-F58 HydrophobicContact CG1-CE2 4.28Å; I42-F58 HydrophobicContact CG1-CG 4.21Å; I42-F58 HydrophobicContact CG1-CZ 3.99Å; I42-F58 HydrophobicContact CG2-CB 3.82Å; I42-F58 HydrophobicContact CG2-CD1 3.88Å; I42-F58 HydrophobicContact CG2-CG 3.85Å; N55-F58 HydrophobicContact CB-CD2 4.06Å; N55-F58 PolarHBondContact O-N 2.89Å; Q56-F58 PolarHBondContact O-N 2.96Å; F58-G60 PolarHBondContact O-N 3.25Å; F58-K61 PolarHBondContact O-N 3.44Å; F58-A62 PolarHBondContact O-N 3.37Å
59	K	92.8	Very high	95.6	Very high	139 Å²	139	76.3 Å²	76.3	60%	0.604	41%	0.411	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.9	126.3	175.1	-166.4	174.7	-176.3	179.9	0	109.8	N55 Q56 K61	N55-K59 PolarHBondContact O-N 3.29Å; N55-K59 VanDerWaalsContact O-N 3.09Å; Q56-K59 PolarHBondContact O-N 2.8Å; K59-K61 PolarHBondContact O-N 3.34Å
60	G	92.2	Very high	95.6	Very high	74 Å²	74	74.1 Å²	74.1	76%	0.763	40%	0.395	S	S	*	.	T	Hydrogen-bonded Turn	trans	76.7	-0.7	-176.6	0	0	0	0	0	115.5	F58	F58-G60 PolarHBondContact O-N 3.25Å
61	K	93.7	Very high	95.6	Very high	111 Å²	111	74.5 Å²	74.5	48%	0.483	39%	0.393	S	S	.	.	T	Hydrogen-bonded Turn	trans	-112.4	-12.4	177	-56.5	-176.7	-179.3	177.1	0	113.5	F58 K59 R77	F58-K61 PolarHBondContact O-N 3.44Å; K59-K61 PolarHBondContact O-N 3.34Å; K61-R77 WeakPolarHBondContact O-CD 3.31Å; K61-R77 PolarHBondContact O-NH1 2.02Å
62	A	96	Very high	95.7	Very high	6 Å²	6	68.9 Å²	68.9	5%	0.05	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	146	178.5	0	0	0	0	0	110.1	I42 Y54 F58 M75 Q76	I42-A62 HydrophobicContact CG2-CB 3.82Å; Y54-A62 HydrophobicContact CE1-CB 4.28Å; Y54-A62 WeakPolarHBondContact CE1-O 3.04Å; F58-A62 PolarHBondContact O-N 3.37Å; A62-M75 HydrophobicContact CB-CG 4.42Å; A62-Q76 CarbonylContact C-O 3.55Å; A62-Q76 VanDerWaalsContact CA-O 3.25Å; A62-Q76 WeakPolarHBondContact CA-O 3.45Å
63	T	97.9	Very high	95.7	Very high	70 Å²	70	66.6 Å²	66.6	43%	0.429	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	122.2	172.8	-57.4	0	0	0	0	108.5	T65 M75 Q76	T63-T65 HydrophobicContact CG2-CG2 4.17Å; T63-M75 WeakPolarHBondContact O-CA 3.47Å; T63-Q76 PolarHBondContact N-O 3.22Å; T63-Q76 PolarHBondContact O-N 2.94Å
64	L	98.3	Very high	95.7	Very high	9 Å²	9	63.9 Å²	63.9	5%	0.047	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	131.8	176.7	-51.9	-175.4	0	0	0	110	W30 I45 T52 Y54 Y74 M75	W30-L64 VanDerWaalsContact CD1-CD2 3.49Å; W30-L64 HydrophobicContact CG-CD2 4.01Å; I45-L64 HydrophobicContact CB-CB 4.11Å; I45-L64 HydrophobicContact CB-CD1 4.35Å; I45-L64 HydrophobicContact CD1-CB 4.21Å; I45-L64 HydrophobicContact CG2-CB 4.4Å; T52-L64 HydrophobicContact CG2-CB 3.92Å; Y54-L64 HydrophobicContact CE1-CD1 4.18Å; Y54-L64 HydrophobicContact CE1-CG 3.74Å; Y54-L64 PolarHBondContact OH-N 3.5Å; L64-Y74 WeakPolarHBondContact CA-O 2.98Å; L64-M75 HydrophobicContact CD2-CB 3.71Å; L64-M75 HydrophobicContact CD2-CG 3.63Å
65	T	98.3	Very high	95.8	Very high	62 Å²	62	60.9 Å²	60.9	38%	0.38	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	163.6	176.2	63.4	0	0	0	0	111	T63 Y74	T63-T65 HydrophobicContact CG2-CG2 4.17Å; T65-Y74 PolarHBondContact N-O 2.89Å; T65-Y74 PolarHBondContact O-N 2.9Å
66	V	97.8	Very high	95.8	Very high	38 Å²	38	61.8 Å²	61.8	23%	0.23	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	144.3	178.9	-70.8	0	0	0	0	110.1	F23 I45 P47 A73	F23-V66 HydrophobicContact CE1-CB 4.43Å; F23-V66 HydrophobicContact CE1-CG1 4.46Å; F23-V66 HydrophobicContact CZ-CB 4.45Å; F23-V66 HydrophobicContact CZ-CG1 4.07Å; I45-V66 HydrophobicContact CD1-CB 4.38Å; I45-V66 HydrophobicContact CD1-CG1 3.63Å; I45-V66 HydrophobicContact CD1-CG2 4.2Å; I45-V66 HydrophobicContact CG1-CG1 3.95Å; I45-V66 HydrophobicContact CG2-CG1 3.89Å; P47-V66 HydrophobicContact CB-CG1 3.98Å; P47-V66 HydrophobicContact CG-CG1 4.28Å; V66-A73 HydrophobicContact CG1-CB 4.24Å
67	D	97	Very high	95.8	Very high	53 Å²	53	55.2 Å²	55.2	28%	0.283	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	107	163.7	174.7	7.8	0	0	0	108.2	S69 S70 S71 T72 Y74	D67-S69 VanDerWaalsContact C-N 3.3Å; D67-S69 PolarHBondContact O-N 3.26Å; D67-S69 WeakPolarHBondContact OD1-CB 3.25Å; D67-S69 PolarHBondContact OD1-N 3.5Å; D67-S69 PolarHBondContact OD1-OG 3.03Å; D67-S69 PolarHBondContact OD2-OG 3.21Å; D67-S70 PolarHBondContact OD1-N 2.85Å; D67-S70 WeakPolarHBondContact OD2-CB 3.44Å; D67-S70 PolarHBondContact OD2-OG 2.77Å; D67-S71 PolarHBondContact O-N 2.85Å; D67-S71 VanDerWaalsContact O-N 3.13Å; D67-T72 PolarHBondContact N-O 2.88Å; D67-T72 PolarHBondContact O-N 2.91Å; D67-Y74 HydrophobicContact CB-CE2 3.89Å
68	K	94.9	Very high	95.9	Very high	116 Å²	116	50.9 Å²	50.9	50%	0.504	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.4	-33	-178.6	-65.1	175.9	176.9	176.9	0	111.9	P47 S48 S70 S71	P47-K68 WeakPolarHBondContact O-CE 3.04Å; S48-K68 VanDerWaalsContact O-CE 3.23Å; S48-K68 WeakPolarHBondContact O-CE 3.15Å; S48-K68 PolarHBondContact O-NZ 2.82Å; K68-S70 VanDerWaalsContact C-N 3.35Å; K68-S70 PolarHBondContact O-N 3.27Å; K68-S71 PolarHBondContact O-N 2.89Å
69	S	94.6	Very high	95.9	Very high	111 Å²	111	54.5 Å²	54.5	78%	0.776	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.2	-38.6	-175.6	72.4	0	0	0	0	111.8	D67	D67-S69 VanDerWaalsContact C-N 3.3Å; D67-S69 PolarHBondContact O-N 3.26Å; D67-S69 WeakPolarHBondContact OD1-CB 3.25Å; D67-S69 PolarHBondContact OD1-N 3.5Å; D67-S69 PolarHBondContact OD1-OG 3.03Å; D67-S69 PolarHBondContact OD2-OG 3.21Å
70	S	96.3	Very high	96	Very high	36 Å²	36	48 Å²	48	25%	0.252	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.9	1.5	177.6	66.2	0	0	0	0	113.6	D67 K68 T72	D67-S70 PolarHBondContact OD1-N 2.85Å; D67-S70 WeakPolarHBondContact OD2-CB 3.44Å; D67-S70 PolarHBondContact OD2-OG 2.77Å; K68-S70 VanDerWaalsContact C-N 3.35Å; K68-S70 PolarHBondContact O-N 3.27Å; S70-T72 PolarHBondContact O-N 2.85Å; S70-T72 PolarHBondContact O-OG1 2.86Å; S70-T72 VanDerWaalsContact O-OG1 3.07Å; S70-T72 WeakPolarHBondContact OG-CB 2.98Å; S70-T72 PolarHBondContact OG-OG1 3.27Å
71	S	96.3	Very high	96.1	Very high	42 Å²	42	47.6 Å²	47.6	29%	0.294	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.5	43.2	-172.9	-63.9	0	0	0	0	112.9	A18 F23 D67 K68	A18-S71 PolarHBondContact N-O 2.88Å; F23-S71 VanDerWaalsContact CD1-CA 3.47Å; D67-S71 PolarHBondContact O-N 2.85Å; D67-S71 VanDerWaalsContact O-N 3.13Å; K68-S71 PolarHBondContact O-N 2.89Å
72	T	97.3	Very high	96.2	Very high	9 Å²	9	48.8 Å²	48.8	6%	0.055	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	128.6	-174.2	-55.2	0	0	0	0	111.1	C16 K17 D67 S70 Y74	C16-T72 CarbonylContact O-C 3.53Å; C16-T72 WeakPolarHBondContact O-CA 3.44Å; K17-T72 HydrophobicContact CB-CG2 4.49Å; D67-T72 PolarHBondContact N-O 2.88Å; D67-T72 PolarHBondContact O-N 2.91Å; S70-T72 PolarHBondContact O-N 2.85Å; S70-T72 PolarHBondContact O-OG1 2.86Å; S70-T72 VanDerWaalsContact O-OG1 3.07Å; S70-T72 WeakPolarHBondContact OG-CB 2.98Å; S70-T72 PolarHBondContact OG-OG1 3.27Å; T72-Y74 HydrophobicContact CG2-CD1 4.34Å; T72-Y74 HydrophobicContact CG2-CD2 4.37Å; T72-Y74 HydrophobicContact CG2-CE1 3.73Å; T72-Y74 HydrophobicContact CG2-CE2 3.75Å
73	A	97.5	Very high	96	Very high	0 Å²	0	55 Å²	55	0%	0	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	149.4	167.2	0	0	0	0	0	110.2	S15 C16 F23 M28 W30 V66	S15-A73 CarbonylContact C-O 3.5Å; S15-A73 WeakPolarHBondContact CA-O 3.47Å; C16-A73 PolarHBondContact N-O 3Å; C16-A73 PolarHBondContact O-N 2.89Å; F23-A73 HydrophobicContact CE2-CB 4.24Å; F23-A73 HydrophobicContact CZ-CB 4.01Å; M28-A73 HydrophobicContact CB-CB 4.24Å; M28-A73 HydrophobicContact CG-CB 3.63Å; W30-A73 HydrophobicContact CZ2-CB 4.37Å; V66-A73 HydrophobicContact CG1-CB 4.24Å
74	Y	98	Very high	95.9	Very high	52 Å²	52	52 Å²	52	20%	0.204	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	146.7	177	-56.2	-89.3	0	0	0	111.2	K13 L14 S15 L64 T65 D67 T72	K13-Y74 HydrophobicContact CD-CD1 4.45Å; K13-Y74 HydrophobicContact CG-CD1 4.37Å; L14-Y74 CarbonylContact O-C 3.52Å; L14-Y74 WeakPolarHBondContact O-CA 3.33Å; S15-Y74 VanDerWaalsContact CB-CE1 3.49Å; L64-Y74 WeakPolarHBondContact CA-O 2.98Å; T65-Y74 PolarHBondContact N-O 2.89Å; T65-Y74 PolarHBondContact O-N 2.9Å; D67-Y74 HydrophobicContact CB-CE2 3.89Å; T72-Y74 HydrophobicContact CG2-CD1 4.34Å; T72-Y74 HydrophobicContact CG2-CD2 4.37Å; T72-Y74 HydrophobicContact CG2-CE1 3.73Å; T72-Y74 HydrophobicContact CG2-CE2 3.75Å
75	M	97.9	Very high	95.8	Very high	0 Å²	0	53.2 Å²	53.2	0%	0	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	122.4	165.5	175.9	-163.3	68.3	0	0	108.5	K13 L14 W30 I42 A62 T63 L64 R77 Y88	K13-M75 WeakPolarHBondContact CA-O 3.2Å; L14-M75 HydrophobicContact CB-CE 4.33Å; L14-M75 HydrophobicContact CD1-CE 3.51Å; L14-M75 HydrophobicContact CG-CE 3.95Å; L14-M75 PolarHBondContact N-O 2.83Å; L14-M75 PolarHBondContact O-N 3.16Å; W30-M75 HydrophobicContact CB-SD 4.18Å; W30-M75 HydrophobicContact CD2-CB 3.51Å; W30-M75 HydrophobicContact CD2-CG 4.36Å; W30-M75 HydrophobicContact CD2-SD 4.27Å; W30-M75 HydrophobicContact CE3-CB 3.77Å; W30-M75 HydrophobicContact CE3-CE 4.19Å; W30-M75 HydrophobicContact CE3-SD 4.15Å; W30-M75 HydrophobicContact CG-CB 4.01Å; W30-M75 HydrophobicContact CG-CG 4.49Å; W30-M75 HydrophobicContact CG-SD 4.3Å; W30-M75 HydrophobicContact CH2-CB 4.07Å; W30-M75 HydrophobicContact CZ2-CB 3.84Å; W30-M75 HydrophobicContact CZ3-CB 4.04Å; I42-M75 HydrophobicContact CD1-CE 4.34Å; I42-M75 HydrophobicContact CD1-SD 3.43Å; I42-M75 WeakPolarHBondContact CD1-SD 3.42Å; I42-M75 HydrophobicContact CG2-SD 4.16Å; A62-M75 HydrophobicContact CB-CG 4.42Å; T63-M75 WeakPolarHBondContact O-CA 3.47Å; L64-M75 HydrophobicContact CD2-CB 3.71Å; L64-M75 HydrophobicContact CD2-CG 3.63Å; M75-R77 HydrophobicContact CE-CG 3.73Å; M75-R77 HydrophobicContact SD-CG 4.11Å; M75-Y88 HydrophobicContact CE-CD1 3.63Å; M75-Y88 HydrophobicContact CE-CE1 4.09Å; M75-Y88 HydrophobicContact CE-CG 4.27Å; M75-Y88 HydrophobicContact SD-CD1 4.43Å
76	Q	97.3	Very high	95.8	Very high	83 Å²	83	50.5 Å²	50.5	39%	0.388	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	128.1	167.9	-174.5	173.5	-3.3	0	0	109.6	V12 A62 T63	V12-Q76 CarbonylContact O-C 3.57Å; V12-Q76 WeakPolarHBondContact O-CA 3.4Å; A62-Q76 CarbonylContact C-O 3.55Å; A62-Q76 VanDerWaalsContact CA-O 3.25Å; A62-Q76 WeakPolarHBondContact CA-O 3.45Å; T63-Q76 PolarHBondContact N-O 3.22Å; T63-Q76 PolarHBondContact O-N 2.94Å
77	R	94.6	Very high	95.7	Very high	8 Å²	8	50.7 Å²	50.7	3%	0.03	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	130	167.8	-74.6	-78.4	-61.5	173.3	2.3	107.8	S11 V12 K61 M75 L80 D84	S11-R77 CarbonylContact C-O 3.42Å; S11-R77 WeakPolarHBondContact CA-O 3.17Å; S11-R77 WeakPolarHBondContact CB-O 3.32Å; V12-R77 HydrophobicContact CG1-CB 4.02Å; V12-R77 PolarHBondContact N-O 2.87Å; V12-R77 PolarHBondContact O-N 3.02Å; K61-R77 WeakPolarHBondContact O-CD 3.31Å; K61-R77 PolarHBondContact O-NH1 2.02Å; M75-R77 HydrophobicContact CE-CG 3.73Å; M75-R77 HydrophobicContact SD-CG 4.11Å; R77-L80 HydrophobicContact CB-CD2 3.71Å; R77-D84 IonicContact CZ-OD1 2.67Å; R77-D84 IonicContact CZ-OD2 3.67Å; R77-D84 IonicContact NE-OD1 3.5Å; R77-D84 IonicContact NE-OD2 3.59Å; R77-D84 IonicContact NH2-OD1 3.92Å; R77-D84 PolarHBondContact NH2-OD1 2.9Å; R77-D84 IonicContact NH2-OD2 2.7Å; R77-D84 PolarHBondContact NH2-OD2 2.88Å
78	S	92	Very high	95.8	Very high	41 Å²	41	48.3 Å²	48.3	29%	0.287	26%	0.264	S	S	.	.			trans	-113.3	157.9	177.1	56.1	0	0	0	0	111	S11 L80	S11-S78 WeakPolarHBondContact OG-CA 3.42Å; S78-L80 VanDerWaalsContact C-N 3.31Å; S78-L80 PolarHBondContact O-N 3.15Å
79	S	93.6	Very high	95.9	Very high	85 Å²	85	44.9 Å²	44.9	59%	0.594	25%	0.249	S	C	*	.	S	Bend	trans	54.9	47.8	175.5	-52.3	0	0	0	0	112.1	A10	A10-S79 PolarHBondContact O-N 3.38Å
80	L	94.9	Very high	95.9	Very high	2 Å²	2	40.2 Å²	40.2	1%	0.01	22%	0.216	C	C	.	.			trans	-56.7	139.8	-176.3	-70.7	172.9	0	0	0	111.7	A6 P8 G9 A10 V12 R77 S78 D84 V113	A6-L80 HydrophobicContact CB-CD1 3.61Å; P8-L80 CarbonylContact C-O 3.53Å; P8-L80 WeakPolarHBondContact CA-O 3.23Å; G9-L80 PolarHBondContact N-O 3.43Å; A10-L80 WeakPolarHBondContact O-CG 3.41Å; A10-L80 PolarHBondContact O-N 2.82Å; V12-L80 HydrophobicContact CB-CD1 4.11Å; V12-L80 HydrophobicContact CG1-CD1 3.9Å; V12-L80 HydrophobicContact CG1-CD2 4.35Å; R77-L80 HydrophobicContact CB-CD2 3.71Å; S78-L80 VanDerWaalsContact C-N 3.31Å; S78-L80 PolarHBondContact O-N 3.15Å; L80-D84 HydrophobicContact CD2-CB 3.68Å; L80-V113 HydrophobicContact CB-CG1 4.32Å; L80-V113 HydrophobicContact CB-CG2 3.98Å; L80-V113 HydrophobicContact CD1-CG2 4.19Å; L80-V113 HydrophobicContact CG-CG2 4.5Å
81	T	95	Very high	95.8	Very high	66 Å²	66	38.5 Å²	38.5	41%	0.405	20%	0.204	S	C	.	.			trans	-114.4	169.7	171.1	70.8	0	0	0	0	110.3	E83 D84 V113	T81-E83 PolarHBondContact O-N 2.8Å; T81-E83 VanDerWaalsContact O-N 3.13Å; T81-E83 PolarHBondContact OG1-N 2.98Å; T81-D84 PolarHBondContact N-OD2 2.96Å; T81-D84 VanDerWaalsContact O-CB 3.32Å; T81-D84 WeakPolarHBondContact O-CB 3.33Å; T81-D84 PolarHBondContact O-N 2.82Å; T81-V113 WeakPolarHBondContact O-CB 3.23Å; T81-V113 WeakPolarHBondContact O-CG2 3.47Å
82	Y	95	Very high	95.5	Very high	135 Å²	135	36.6 Å²	36.6	53%	0.529	19%	0.191	S	C	.	.	G	3₁₀ helix	trans	-55.4	-30.5	174.8	-62.7	-73.1	0	0	0	113	P8 D84 S85 V113	P8-Y82 HydrophobicContact CG-CD1 4.45Å; P8-Y82 HydrophobicContact CG-CE1 3.77Å; P8-Y82 HydrophobicContact CG-CE2 3.99Å; Y82-D84 PolarHBondContact O-N 3.33Å; Y82-S85 WeakPolarHBondContact O-CB 3.21Å; Y82-S85 PolarHBondContact O-N 2.85Å; Y82-S85 PolarHBondContact O-OG 3.01Å; Y82-V113 WeakPolarHBondContact CD1-O 3.42Å
83	E	92.7	Very high	95.1	Very high	137 Å²	137	38 Å²	38	64%	0.64	20%	0.197	S	C	*	.	G	3₁₀ helix	trans	-68.4	-12.5	176.5	-60	-175.9	174.1	0	0	113.5	K32 R34 T81 S85	K32-E83 WeakPolarHBondContact CE-O 3.29Å; K32-E83 PolarHBondContact NZ-O 2.77Å; R34-E83 PolarHBondContact NE-O 2.8Å; R34-E83 PolarHBondContact NH2-O 2.99Å; T81-E83 PolarHBondContact O-N 2.8Å; T81-E83 VanDerWaalsContact O-N 3.13Å; T81-E83 PolarHBondContact OG1-N 2.98Å; E83-S85 VanDerWaalsContact C-N 3.32Å
84	D	94.9	Very high	94.4	Very high	8 Å²	8	43.7 Å²	43.7	4%	0.043	22%	0.22	C	C	.	.	G	3₁₀ helix	trans	-84	-5.6	175.4	-70	-38.5	0	0	0	114.4	K32 R77 L80 T81 Y82 A86 Y88 V113	K32-D84 IonicContact NZ-OD1 3.01Å; K32-D84 PolarHBondContact NZ-OD1 3.2Å; R77-D84 IonicContact CZ-OD1 2.67Å; R77-D84 IonicContact CZ-OD2 3.67Å; R77-D84 IonicContact NE-OD1 3.5Å; R77-D84 IonicContact NE-OD2 3.59Å; R77-D84 IonicContact NH2-OD1 3.92Å; R77-D84 PolarHBondContact NH2-OD1 2.9Å; R77-D84 IonicContact NH2-OD2 2.7Å; R77-D84 PolarHBondContact NH2-OD2 2.88Å; L80-D84 HydrophobicContact CD2-CB 3.68Å; T81-D84 PolarHBondContact N-OD2 2.96Å; T81-D84 VanDerWaalsContact O-CB 3.32Å; T81-D84 WeakPolarHBondContact O-CB 3.33Å; T81-D84 PolarHBondContact O-N 2.82Å; Y82-D84 PolarHBondContact O-N 3.33Å; D84-A86 PolarHBondContact O-N 3.03Å; D84-A86 VanDerWaalsContact O-N 3.16Å; D84-Y88 VanDerWaalsContact O-CE2 3.31Å; D84-Y88 WeakPolarHBondContact O-CE2 3.36Å; D84-Y88 PolarHBondContact O-OH 3.46Å; D84-V113 HydrophobicContact CB-CG2 4.19Å
85	S	96.6	Very high	93.3	Very high	34 Å²	34	42.3 Å²	42.3	24%	0.238	22%	0.222	C	C	.	.			trans	-61.8	113.1	167.9	-62.8	0	0	0	0	110.6	Y82 E83 V111 V113	Y82-S85 WeakPolarHBondContact O-CB 3.21Å; Y82-S85 PolarHBondContact O-N 2.85Å; Y82-S85 PolarHBondContact O-OG 3.01Å; E83-S85 VanDerWaalsContact C-N 3.32Å; S85-V111 CarbonylContact C-O 3.46Å; S85-V111 VanDerWaalsContact CA-O 3.23Å; S85-V111 WeakPolarHBondContact CA-O 3.33Å; S85-V113 PolarHBondContact OG-N 3.42Å; S85-V113 PolarHBondContact OG-O 2.85Å
86	A	97	Very high	91.6	Very high	5 Å²	5	49.4 Å²	49.4	4%	0.041	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-170.9	168.2	-172.7	0	0	0	0	0	111	K32 Q33 R34 D84 Y88 V111	K32-A86 HydrophobicContact CD-CB 4.14Å; K32-A86 HydrophobicContact CG-CB 3.49Å; K32-A86 VanDerWaalsContact CG-CB 3.49Å; Q33-A86 WeakPolarHBondContact O-CA 3.14Å; Q33-A86 VanDerWaalsContact O-CB 3.29Å; Q33-A86 WeakPolarHBondContact O-CB 3.43Å; R34-A86 HydrophobicContact CG-CB 4.21Å; D84-A86 PolarHBondContact O-N 3.03Å; D84-A86 VanDerWaalsContact O-N 3.16Å; A86-Y88 HydrophobicContact CB-CD2 4.31Å; A86-Y88 HydrophobicContact CB-CE2 3.78Å; A86-V111 PolarHBondContact N-O 3.42Å; A86-V111 PolarHBondContact O-N 2.71Å
87	V	97.4	Very high	89.8	Confident	41 Å²	41	53.1 Å²	53.1	25%	0.248	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	130.5	160.6	-169.8	0	0	0	0	108.8	Q33 Y89 T109	Q33-V87 PolarHBondContact N-O 2.89Å; Q33-V87 PolarHBondContact O-N 2.89Å; V87-Y89 HydrophobicContact CB-CE2 3.75Å; V87-Y89 HydrophobicContact CG1-CD1 4.47Å; V87-Y89 HydrophobicContact CG1-CD2 4.27Å; V87-Y89 HydrophobicContact CG1-CE1 3.81Å; V87-Y89 HydrophobicContact CG1-CE2 3.58Å; V87-Y89 WeakPolarHBondContact CG1-OH 3.37Å; V87-T109 WeakPolarHBondContact CA-O 3.48Å
88	Y	97.4	Very high	87.8	Confident	3 Å²	3	59.9 Å²	59.9	1%	0.012	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	125.3	177.6	-69.2	-97.5	0	0	0	109.8	L14 V31 K32 I42 M75 D84 A86 G108 T109 V111	L14-Y88 HydrophobicContact CD1-CD1 4.29Å; L14-Y88 HydrophobicContact CD1-CD2 4.15Å; L14-Y88 HydrophobicContact CD1-CG 3.68Å; V31-Y88 CarbonylContact O-C 3.56Å; V31-Y88 WeakPolarHBondContact O-CA 3.32Å; K32-Y88 HydrophobicContact CB-CD1 4.19Å; K32-Y88 HydrophobicContact CB-CE1 4.02Å; K32-Y88 HydrophobicContact CD-CE1 3.96Å; K32-Y88 WeakPolarHBondContact CE-OH 3.23Å; K32-Y88 HydrophobicContact CG-CD1 4.33Å; K32-Y88 HydrophobicContact CG-CE1 3.85Å; I42-Y88 HydrophobicContact CD1-CD1 3.72Å; I42-Y88 HydrophobicContact CD1-CE1 3.77Å; M75-Y88 HydrophobicContact CE-CD1 3.63Å; M75-Y88 HydrophobicContact CE-CE1 4.09Å; M75-Y88 HydrophobicContact CE-CG 4.27Å; M75-Y88 HydrophobicContact SD-CD1 4.43Å; D84-Y88 VanDerWaalsContact O-CE2 3.31Å; D84-Y88 WeakPolarHBondContact O-CE2 3.36Å; D84-Y88 PolarHBondContact O-OH 3.46Å; A86-Y88 HydrophobicContact CB-CD2 4.31Å; A86-Y88 HydrophobicContact CB-CE2 3.78Å; Y88-G108 CarbonylContact O-C 3.46Å; Y88-G108 VanDerWaalsContact O-CA 3.25Å; Y88-G108 WeakPolarHBondContact O-CA 3.22Å; Y88-T109 PolarHBondContact N-O 3.43Å; Y88-T109 PolarHBondContact O-N 3.44Å; Y88-V111 HydrophobicContact CD2-CB 3.94Å; Y88-V111 HydrophobicContact CD2-CG2 3.58Å; Y88-V111 HydrophobicContact CE2-CB 3.74Å; Y88-V111 HydrophobicContact CE2-CG2 3.82Å
89	Y	96.7	Very high	85.9	Confident	45 Å²	45	66.6 Å²	66.6	18%	0.176	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	148.6	-179.8	-57.8	-86.4	0	0	0	110.2	W30 V31 Q33 V87 W105 G106	W30-Y89 WeakPolarHBondContact CA-O 3.43Å; V31-Y89 PolarHBondContact N-O 2.94Å; V31-Y89 PolarHBondContact O-N 2.74Å; Q33-Y89 HydrophobicContact CB-CD2 4.41Å; Q33-Y89 HydrophobicContact CB-CE2 3.81Å; Q33-Y89 PolarHBondContact OE1-OH 3.13Å; V87-Y89 HydrophobicContact CB-CE2 3.75Å; V87-Y89 HydrophobicContact CG1-CD1 4.47Å; V87-Y89 HydrophobicContact CG1-CD2 4.27Å; V87-Y89 HydrophobicContact CG1-CE1 3.81Å; V87-Y89 HydrophobicContact CG1-CE2 3.58Å; V87-Y89 WeakPolarHBondContact CG1-OH 3.37Å; Y89-W105 HydrophobicContact CD1-CE3 4.39Å; Y89-W105 HydrophobicContact CG-CE3 4.16Å; Y89-W105 HydrophobicContact CG-CZ3 4.13Å; Y89-G106 WeakPolarHBondContact CD1-O 3.49Å
90	C	95.4	Very high	84	Confident	12 Å²	12	73.2 Å²	73.2	8%	0.081	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	147.7	159.6	61.1	0	0	0	0	109.1	C16 M28 H29 W30 G106	C16-C90 HydrophobicContact CB-CB 3.41Å; C16-C90 VanDerWaalsContact CB-CB 3.41Å; C16-C90 WeakPolarHBondContact CB-SG 2.78Å; C16-C90 WeakPolarHBondContact SG-CB 3.44Å; C16-C90 CovalentContact SG-SG 2.02Å; C16-C90 PolarHBondContact SG-SG 3.36Å; M28-C90 HydrophobicContact SD-CB 3.73Å; H29-C90 CarbonylContact O-C 3.56Å; H29-C90 VanDerWaalsContact O-CA 3.23Å; H29-C90 WeakPolarHBondContact O-CA 3.41Å; W30-C90 HydrophobicContact CE3-CB 4.37Å; W30-C90 HydrophobicContact CH2-CB 4.42Å; W30-C90 HydrophobicContact CZ3-CB 4.32Å; C90-G106 PolarHBondContact O-N 3.18Å
91	A	93.6	Very high	82.4	Confident	1 Å²	1	76 Å²	76	1%	0.008	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	136	176.4	0	0	0	0	0	111.5	H29 M102 Y104 W105	H29-A91 HydrophobicContact CB-CB 4.44Å; H29-A91 PolarHBondContact N-O 2.84Å; H29-A91 PolarHBondContact O-N 3.07Å; A91-M102 HydrophobicContact CB-CB 4.2Å; A91-M102 HydrophobicContact CB-CE 3.65Å; A91-M102 HydrophobicContact CB-CG 4.14Å; A91-M102 HydrophobicContact CB-SD 3.7Å; A91-Y104 CarbonylContact C-O 3.55Å; A91-Y104 WeakPolarHBondContact CA-O 3.35Å; A91-W105 HydrophobicContact CB-CD2 3.86Å; A91-W105 HydrophobicContact CB-CE3 4.07Å; A91-W105 HydrophobicContact CB-CG 4.31Å; A91-W105 HydrophobicContact CB-CH2 4.41Å; A91-W105 HydrophobicContact CB-CZ2 4.27Å; A91-W105 HydrophobicContact CB-CZ3 4.33Å
92	G	91.2	Very high	81.3	Confident	1 Å²	1	74.4 Å²	74.4	1%	0.01	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	136.2	178.6	0	0	0	0	0	111.9	W27 D103 Y104	W27-G92 WeakPolarHBondContact O-CA 3.41Å; G92-D103 PolarHBondContact O-N 2.98Å; G92-Y104 PolarHBondContact N-O 3.49Å; G92-Y104 PolarHBondContact O-N 3.3Å
93	I	87.6	Confident	80.3	Confident	38 Å²	38	72.1 Å²	72.1	20%	0.195	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	129.8	170.7	-57.2	-176.9	0	0	0	109.4	Y26 W27 G95 M102	Y26-I93 CarbonylContact C-O 3.49Å; Y26-I93 WeakPolarHBondContact CA-O 3.34Å; Y26-I93 WeakPolarHBondContact CD1-O 3.17Å; W27-I93 PolarHBondContact N-O 2.84Å; W27-I93 PolarHBondContact O-N 2.79Å; I93-G95 PolarHBondContact O-N 2.79Å; I93-M102 HydrophobicContact CD1-CE 4.07Å; I93-M102 HydrophobicContact CD1-CG 3.68Å; I93-M102 HydrophobicContact CG1-CB 4.41Å; I93-M102 HydrophobicContact CG1-CE 4.49Å; I93-M102 HydrophobicContact CG1-CG 3.66Å
94	Y	84.6	Confident	80	Confident	120 Å²	120	70.2 Å²	70.2	47%	0.471	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	120.4	179.1	-175	-101.8	0	0	0	112.5	Y26	Y26-Y94 VanDerWaalsContact CD1-N 3.33Å; Y26-Y94 HydrophobicContact CD2-CD2 4.18Å; Y26-Y94 HydrophobicContact CE1-CD2 4.12Å; Y26-Y94 HydrophobicContact CE1-CG 4.37Å; Y26-Y94 AromaticContact CE2-CD2 3.59Å; Y26-Y94 HydrophobicContact CE2-CD2 3.59Å; Y26-Y94 HydrophobicContact CE2-CE2 4.32Å; Y26-Y94 AromaticContact CZ-CD2 3.54Å
95	G	73.3	Confident	79.8	Confident	24 Å²	24	74.8 Å²	74.8	25%	0.247	36%	0.355	C	S	.	.	T	Hydrogen-bonded Turn	trans	56.9	-157.4	167.5	0	0	0	0	0	117.2	S25 W27 I93 Y97	S25-G95 PolarHBondContact O-N 3.07Å; S25-G95 VanDerWaalsContact O-N 3.15Å; W27-G95 PolarHBondContact NE1-O 3.29Å; I93-G95 PolarHBondContact O-N 2.79Å; G95-Y97 PolarHBondContact O-N 3.37Å
96	N	62.8	Low	79.7	Confident	149 Å²	149	74.4 Å²	74.4	80%	0.797	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82	15.4	-178.5	-93.4	-0.4	0	0	0	113.7	D98	N96-D98 PolarHBondContact O-N 2.77Å
97	Y	59.1	Low	79.5	Confident	161 Å²	161	83.1 Å²	83.1	63%	0.631	40%	0.396	S	S	*	.			trans	-82.7	108.3	-175.1	-78.7	-80.3	0	0	0	110.9	G95 Y99	G95-Y97 PolarHBondContact O-N 3.37Å; Y97-Y99 HydrophobicContact CD1-CD2 4.42Å; Y97-Y99 PolarHBondContact O-N 3.07Å
98	D	52.3	Low	79.3	Confident	150 Å²	150	82 Å²	82	80%	0.802	39%	0.393	S	S	*	.			trans	-68.1	46.4	165.6	-78.2	-40.4	0	0	0	112.1	N96	N96-D98 PolarHBondContact O-N 2.77Å
99	Y	53.1	Low	79.3	Confident	181 Å²	181	82.4 Å²	82.4	71%	0.71	40%	0.396	S	S	*	.			trans	-118.5	83.2	179.9	-88.4	-88.6	0	0	0	112.2	Y97 A101	Y97-Y99 HydrophobicContact CD1-CD2 4.42Å; Y97-Y99 PolarHBondContact O-N 3.07Å; Y99-A101 VanDerWaalsContact C-N 3.26Å; Y99-A101 PolarHBondContact O-N 3.32Å
100	Y	54.6	Low	79.3	Confident	225 Å²	225	82.5 Å²	82.5	88%	0.882	40%	0.403	S	S	*	.	S	Bend	trans	43.1	-7.4	144.3	-55	-73.3	0	0	0	123.4
101	A	60.7	Low	79.4	Confident	61 Å²	61	82 Å²	82	50%	0.504	40%	0.399	S	S	.	.			trans	-128.9	122.3	177.1	0	0	0	0	0	110.7	Y99 D103	Y99-A101 VanDerWaalsContact C-N 3.26Å; Y99-A101 PolarHBondContact O-N 3.32Å; A101-D103 PolarHBondContact O-N 3.13Å
102	M	70.4	Confident	79.5	Confident	32 Å²	32	84.7 Å²	84.7	16%	0.158	42%	0.416	C	S	.	.			trans	-75.3	106	164.6	-79.1	168.1	141.2	0	0	107.9	H29 V31 W41 A91 I93 Y104 W105	H29-M102 HydrophobicContact CB-CE 3.48Å; H29-M102 VanDerWaalsContact CB-CE 3.48Å; V31-M102 HydrophobicContact CG2-CE 4.44Å; W41-M102 HydrophobicContact CZ2-CE 3.86Å; W41-M102 HydrophobicContact CZ2-SD 3.76Å; A91-M102 HydrophobicContact CB-CB 4.2Å; A91-M102 HydrophobicContact CB-CE 3.65Å; A91-M102 HydrophobicContact CB-CG 4.14Å; A91-M102 HydrophobicContact CB-SD 3.7Å; I93-M102 HydrophobicContact CD1-CE 4.07Å; I93-M102 HydrophobicContact CD1-CG 3.68Å; I93-M102 HydrophobicContact CG1-CB 4.41Å; I93-M102 HydrophobicContact CG1-CE 4.49Å; I93-M102 HydrophobicContact CG1-CG 3.66Å; M102-Y104 PolarHBondContact O-N 3.07Å; M102-W105 HydrophobicContact CB-CZ2 4.2Å; M102-W105 VanDerWaalsContact CB-NE1 3.25Å; M102-W105 HydrophobicContact CG-CZ2 4.36Å; M102-W105 HydrophobicContact SD-CH2 3.83Å; M102-W105 HydrophobicContact SD-CZ2 3.18Å; M102-W105 WeakPolarHBondContact SD-CZ2 3.32Å
103	D	75.4	Confident	79.7	Confident	87 Å²	87	84.8 Å²	84.8	47%	0.465	42%	0.416	S	S	.	.	S	Bend	trans	-61.8	-32.4	-170.9	-59.5	-47	0	0	0	112.7	G92 A101	G92-D103 PolarHBondContact O-N 2.98Å; A101-D103 PolarHBondContact O-N 3.13Å
104	Y	85.6	Confident	79.9	Confident	96 Å²	96	83.9 Å²	83.9	38%	0.376	41%	0.413	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	128.6	-175.7	-60.1	-76.7	0	0	0	110.9	Y21 Y26 A91 G92 M102	Y21-Y104 HydrophobicContact CD1-CD1 4.27Å; Y21-Y104 AromaticContact CD1-CD2 3.95Å; Y21-Y104 HydrophobicContact CD1-CD2 3.95Å; Y21-Y104 HydrophobicContact CD1-CE1 4.26Å; Y21-Y104 AromaticContact CD1-CE2 3.94Å; Y21-Y104 HydrophobicContact CD1-CE2 3.94Å; Y21-Y104 HydrophobicContact CD1-CG 4.12Å; Y21-Y104 HydrophobicContact CE1-CD1 4.3Å; Y21-Y104 HydrophobicContact CE1-CD2 4.01Å; Y21-Y104 HydrophobicContact CE1-CE2 4.46Å; Y21-Y104 AromaticContact CE1-CG 3.92Å; Y21-Y104 HydrophobicContact CE1-CG 3.92Å; Y21-Y104 HydrophobicContact CG-CD2 4.46Å; Y21-Y104 HydrophobicContact CG-CE2 4.22Å; Y26-Y104 HydrophobicContact CD1-CD2 4.34Å; Y26-Y104 AromaticContact CE1-CD2 3.78Å; Y26-Y104 HydrophobicContact CE1-CD2 3.78Å; Y26-Y104 AromaticContact CE1-CE2 3.65Å; Y26-Y104 HydrophobicContact CE1-CE2 3.65Å; Y26-Y104 AromaticContact CZ-CE2 3.8Å; A91-Y104 CarbonylContact C-O 3.55Å; A91-Y104 WeakPolarHBondContact CA-O 3.35Å; G92-Y104 PolarHBondContact N-O 3.49Å; G92-Y104 PolarHBondContact O-N 3.3Å; M102-Y104 PolarHBondContact O-N 3.07Å
105	W	92.1	Very high	80.1	Confident	105 Å²	105	82.2 Å²	82.2	40%	0.398	42%	0.419	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	135.5	170.7	-75.5	78.7	0	0	0	110.5	V31 L39 Y89 A91 M102	V31-W105 HydrophobicContact CB-CH2 4.41Å; V31-W105 HydrophobicContact CB-CZ3 4.22Å; V31-W105 HydrophobicContact CG1-CH2 4.37Å; V31-W105 HydrophobicContact CG1-CZ3 4.44Å; V31-W105 HydrophobicContact CG2-CH2 4.08Å; V31-W105 HydrophobicContact CG2-CZ3 4.2Å; L39-W105 HydrophobicContact CD1-CH2 3.82Å; L39-W105 HydrophobicContact CD1-CZ2 4.41Å; Y89-W105 HydrophobicContact CD1-CE3 4.39Å; Y89-W105 HydrophobicContact CG-CE3 4.16Å; Y89-W105 HydrophobicContact CG-CZ3 4.13Å; A91-W105 HydrophobicContact CB-CD2 3.86Å; A91-W105 HydrophobicContact CB-CE3 4.07Å; A91-W105 HydrophobicContact CB-CG 4.31Å; A91-W105 HydrophobicContact CB-CH2 4.41Å; A91-W105 HydrophobicContact CB-CZ2 4.27Å; A91-W105 HydrophobicContact CB-CZ3 4.33Å; M102-W105 HydrophobicContact CB-CZ2 4.2Å; M102-W105 VanDerWaalsContact CB-NE1 3.25Å; M102-W105 HydrophobicContact CG-CZ2 4.36Å; M102-W105 HydrophobicContact SD-CH2 3.83Å; M102-W105 HydrophobicContact SD-CZ2 3.18Å; M102-W105 WeakPolarHBondContact SD-CZ2 3.32Å
106	G	92.5	Very high	80.3	Confident	26 Å²	26	88.1 Å²	88.1	27%	0.268	44%	0.44	S	S	.	.			trans	-69	157.1	164.7	0	0	0	0	0	110.9	Y89 C90 G108	Y89-G106 WeakPolarHBondContact CD1-O 3.49Å; C90-G106 PolarHBondContact O-N 3.18Å; G106-G108 PolarHBondContact O-N 2.61Å
107	Q	93.1	Very high	80.3	Confident	188 Å²	188	85.7 Å²	85.7	88%	0.879	44%	0.435	S	S	*	.			trans	-63.5	-11.4	178.7	-64	-61.4	-44.1	0	0	114.1
108	G	94.9	Very high	80.1	Confident	17 Å²	17	85.2 Å²	85.2	18%	0.175	44%	0.439	C	S	.	.			trans	87.4	155.1	-174.2	0	0	0	0	0	112.3	Y88 G106	Y88-G108 CarbonylContact O-C 3.46Å; Y88-G108 VanDerWaalsContact O-CA 3.25Å; Y88-G108 WeakPolarHBondContact O-CA 3.22Å; G106-G108 PolarHBondContact O-N 2.61Å
109	T	96.7	Very high	80	Confident	12 Å²	12	86.8 Å²	86.8	7%	0.074	46%	0.461	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	121.8	170.5	-55.6	0	0	0	0	107.5	S1 G2 E4 L14 V87 Y88 V111	S1-T109 WeakPolarHBondContact CB-OG1 3.35Å; G2-T109 WeakPolarHBondContact O-CG2 3.4Å; E4-T109 HydrophobicContact CG-CG2 3.88Å; L14-T109 HydrophobicContact CD2-CG2 3.97Å; V87-T109 WeakPolarHBondContact CA-O 3.48Å; Y88-T109 PolarHBondContact N-O 3.43Å; Y88-T109 PolarHBondContact O-N 3.44Å; T109-V111 PolarHBondContact O-N 2.96Å
110	S	96.6	Very high	81.4	Confident	47 Å²	47	82.1 Å²	82.1	33%	0.329	45%	0.449	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	124.3	173.5	-172.7	0	0	0	0	108.8	A3 E4	A3-S110 CarbonylContact C-O 3.57Å; A3-S110 WeakPolarHBondContact CA-O 3.41Å; E4-S110 PolarHBondContact N-O 3.31Å
111	V	96.4	Very high	82.8	Confident	0 Å²	0	74.6 Å²	74.6	0%	0	43%	0.426	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	124.9	168.6	179.6	0	0	0	0	107.1	E4 V12 L14 S85 A86 Y88 T109 V113	E4-V111 HydrophobicContact CB-CG2 4.22Å; E4-V111 CarbonylContact O-C 3.57Å; E4-V111 WeakPolarHBondContact O-CA 3.29Å; V12-V111 HydrophobicContact CG1-CG1 4.38Å; V12-V111 HydrophobicContact CG1-CG2 4.48Å; L14-V111 HydrophobicContact CD1-CG2 4.15Å; L14-V111 HydrophobicContact CD2-CG2 4.06Å; S85-V111 CarbonylContact C-O 3.46Å; S85-V111 VanDerWaalsContact CA-O 3.23Å; S85-V111 WeakPolarHBondContact CA-O 3.33Å; A86-V111 PolarHBondContact N-O 3.42Å; A86-V111 PolarHBondContact O-N 2.71Å; Y88-V111 HydrophobicContact CD2-CB 3.94Å; Y88-V111 HydrophobicContact CD2-CG2 3.58Å; Y88-V111 HydrophobicContact CE2-CB 3.74Å; Y88-V111 HydrophobicContact CE2-CG2 3.82Å; T109-V111 PolarHBondContact O-N 2.96Å; V111-V113 HydrophobicContact CG1-CG2 4.38Å
112	T	96.1	Very high	84	Confident	58 Å²	58	75.3 Å²	75.3	36%	0.356	42%	0.422	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	124.7	174.2	-59	0	0	0	0	108.5	E4 L5 A6	E4-T112 PolarHBondContact O-N 3Å; L5-T112 WeakPolarHBondContact CA-O 3.45Å; L5-T112 HydrophobicContact CD1-CG2 3.7Å; A6-T112 PolarHBondContact N-O 3.49Å
113	V	95.4	Very high	84.8	Confident	4 Å²	4	77.9 Å²	77.9	2%	0.024	44%	0.437	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	109	174.4	-172.7	0	0	0	0	108.3	A6 P8 L80 T81 Y82 D84 S85 V111	A6-V113 CarbonylContact O-C 3.52Å; A6-V113 VanDerWaalsContact O-CA 3.23Å; A6-V113 WeakPolarHBondContact O-CA 2.94Å; P8-V113 HydrophobicContact CB-CG1 4.48Å; P8-V113 HydrophobicContact CG-CG1 4.1Å; L80-V113 HydrophobicContact CB-CG1 4.32Å; L80-V113 HydrophobicContact CB-CG2 3.98Å; L80-V113 HydrophobicContact CD1-CG2 4.19Å; L80-V113 HydrophobicContact CG-CG2 4.5Å; T81-V113 WeakPolarHBondContact O-CB 3.23Å; T81-V113 WeakPolarHBondContact O-CG2 3.47Å; Y82-V113 WeakPolarHBondContact CD1-O 3.42Å; D84-V113 HydrophobicContact CB-CG2 4.19Å; S85-V113 PolarHBondContact OG-N 3.42Å; S85-V113 PolarHBondContact OG-O 2.85Å; V111-V113 HydrophobicContact CG1-CG2 4.38Å
114	S	93.2	Very high	85.4	Confident	18 Å²	18	77.3 Å²	77.3	13%	0.126	44%	0.435	C	S	.	.			trans	-140.5	154.7	179.5	78	0	0	0	0	111.7	A6 E116	A6-S114 PolarHBondContact O-N 3.49Å; S114-E116 VanDerWaalsContact C-N 3.25Å
115	S	87.8	Confident	85.4	Confident	86 Å²	86	76.1 Å²	76.1	60%	0.601	44%	0.439	S	S	*	.	S	Bend	trans	-83.9	-3.1	171.4	46.3	0	0	0	0	112.8
116	E	78.3	Confident	84.9	Confident	148 Å²	148	74 Å²	74	69%	0.692	44%	0.442	S	S	*	.			trans	-71.4	139.7	-179.6	-67.3	175.7	162.9	0	0	110.4	S114	S114-E116 VanDerWaalsContact C-N 3.25Å
117	S	61.1	Low	84.4	Confident	98 Å²	98	77.7 Å²	77.7	69%	0.685	46%	0.456	S	S	*	.			trans	-71.5	139.1	169.1	43.1	0	0	0	0	109.5	S119	S117-S119 PolarHBondContact O-N 2.64Å
118	Q	55.7	Low	83.6	Confident	151 Å²	151	68.5 Å²	68.5	71%	0.706	42%	0.421	S	S	*	.			trans	-59.5	111.1	162	-67.1	-177.5	11.7	0	0	106.9	L5	L5-Q118 HydrophobicContact CD2-CG 3.38Å
119	S	51.4	Low	82.6	Confident	183 Å²	183	73.2 Å²	73.2	100%	1.28	44%	0.443	S	S	*	.			trans	-70.3	0	168	56.4	0	0	0	0	110.4	S117	S117-S119 PolarHBondContact O-N 2.64Å

Retrieved 119 of 119 residues in 29.9 ms (Link to these results)

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