A0A068LKQ0_HUMAN Loading...

Ig heavy chain variable region

AlphaFold DB , UniProt , Accession A0A068LKQ0, Species HUMAN (Homo sapiens, Human), Gene n/a, Length 120 aa.

						>A0A068LKQ0_HUMAN|A0A068LKQ0
EVQLVQSGAEVKKPGQSLKISCKAFGYNFTNYWITWVRQMSGEGLEWMGRIDPSDSYINYNPSFQGHVTISLDKSITTAYLQWSSLNASDTAIYYCARVGPQFGEPADPWGRGTLVTVSS
					

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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	E	70.8	Confident	92.6	Very high	193 Å²	193	67.7 Å²	67.7	90%	0.902	41%	0.407	S	S	*	.				0	136.6	0	-168.3	171.4	-175.2	0	0	108.5
2	V	80.7	Confident	93	Very high	72 Å²	72	65.8 Å²	65.8	44%	0.436	39%	0.389	S	S	.	.			trans	-108.8	119	-176.9	164.4	0	0	0	0	107.5	F25 Y27 P109	V2-F25 WeakPolarHBondContact CA-O 3.15Å; V2-Y27 HydrophobicContact CB-CD1 4.36Å; V2-Y27 HydrophobicContact CG1-CD1 3.53Å; V2-Y27 HydrophobicContact CG1-CE1 3.55Å; V2-Y27 HydrophobicContact CG1-CG 4.18Å; V2-Y27 HydrophobicContact CG2-CD1 4.38Å; V2-P109 HydrophobicContact CG1-CG 4.1Å
3	Q	91.1	Very high	93.4	Very high	63 Å²	63	69.4 Å²	69.4	29%	0.294	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149	159.8	-178.3	62.9	177.5	-20.2	0	0	112.5	V5 F25	Q3-V5 HydrophobicContact CG-CG2 4.17Å; Q3-F25 HydrophobicContact CG-CB 3.85Å; Q3-F25 HydrophobicContact CG-CD1 4.46Å; Q3-F25 PolarHBondContact N-O 3.27Å; Q3-F25 PolarHBondContact O-N 2.81Å
4	L	94.5	Very high	93.7	Very high	5 Å²	5	69.4 Å²	69.4	3%	0.026	40%	0.401	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	121	170.3	-70.6	176	0	0	0	109.9	Y27 F29 P109	L4-Y27 WeakPolarHBondContact CD2-OH 3.31Å; L4-Y27 WeakPolarHBondContact CG-OH 2.99Å; L4-F29 HydrophobicContact CD2-CE1 3.65Å; L4-F29 HydrophobicContact CD2-CZ 3.96Å; L4-P109 HydrophobicContact CD1-CG 4.38Å; L4-P109 WeakPolarHBondContact CD1-O 3.29Å; L4-P109 HydrophobicContact CG-CG 4.07Å
5	V	95.9	Very high	93.9	Very high	72 Å²	72	68 Å²	68	44%	0.436	41%	0.407	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	115.1	178.6	-175.7	0	0	0	0	108.8	Q3 C22 K23	Q3-V5 HydrophobicContact CG-CG2 4.17Å; V5-C22 WeakPolarHBondContact O-CA 3.36Å; V5-K23 PolarHBondContact N-O 3.1Å; V5-K23 PolarHBondContact O-N 3.18Å
6	Q	97.6	Very high	94.1	Very high	25 Å²	25	69.3 Å²	69.3	12%	0.117	41%	0.408	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	157.8	178.5	-72.1	-175.2	-114.3	0	0	112.6	S21 C22 Y94 C96 G113 T114	Q6-S21 CarbonylContact C-O 3.58Å; Q6-S21 WeakPolarHBondContact CA-O 3.36Å; Q6-C22 HydrophobicContact CG-CB 4.18Å; Q6-Y94 PolarHBondContact NE2-O 2.84Å; Q6-C96 WeakPolarHBondContact CG-SG 3.42Å; Q6-G113 VanDerWaalsContact OE1-N 3.09Å; Q6-T114 WeakPolarHBondContact CB-OG1 3.43Å; Q6-T114 PolarHBondContact NE2-OG1 2.91Å
7	S	97.8	Very high	94.3	Very high	27 Å²	27	69.4 Å²	69.4	19%	0.189	41%	0.413	C	S	.	.	P	Polyproline II helix	trans	-59.1	150.3	167.5	54.2	0	0	0	0	111.5	I20 S21 T114	S7-I20 WeakPolarHBondContact OG-CA 3.47Å; S7-I20 WeakPolarHBondContact OG-CG2 3.37Å; S7-S21 PolarHBondContact N-O 3.06Å; S7-S21 PolarHBondContact OG-N 3.15Å; S7-T114 WeakPolarHBondContact O-CG2 3.47Å; S7-T114 PolarHBondContact O-OG1 3.33Å
8	G	97.6	Very high	94.4	Very high	56 Å²	56	65.7 Å²	65.7	58%	0.577	39%	0.39	S	S	*	.	P	Polyproline II helix	trans	-67.5	171.4	-179.2	0	0	0	0	0	113.3	T114	G8-T114 WeakPolarHBondContact O-CG2 3.22Å
9	A	97.9	Very high	94.6	Very high	73 Å²	73	67.8 Å²	67.8	60%	0.603	39%	0.394	S	S	*	.	P	Polyproline II helix	trans	-60	144.9	179.8	0	0	0	0	0	112.5	L115	A9-L115 CarbonylContact C-O 3.58Å; A9-L115 WeakPolarHBondContact CA-O 3.37Å; A9-L115 HydrophobicContact CB-CB 4.01Å; A9-L115 WeakPolarHBondContact CB-O 3.4Å
10	E	97.2	Very high	94.8	Very high	50 Å²	50	64.5 Å²	64.5	23%	0.234	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132	138.8	-178.5	-67.5	-169.6	-123.1	0	0	111.6	K12 L18 L115 V116 T117	E10-K12 WeakPolarHBondContact OE2-CE 3.33Å; E10-K12 IonicContact OE2-NZ 2.75Å; E10-K12 PolarHBondContact OE2-NZ 2.75Å; E10-L18 HydrophobicContact CB-CD1 4.37Å; E10-L18 WeakPolarHBondContact OE1-CD1 3.38Å; E10-L115 PolarHBondContact N-O 3.46Å; E10-V116 WeakPolarHBondContact O-CA 3.29Å; E10-T117 PolarHBondContact O-N 2.82Å
11	V	97.8	Very high	94.9	Very high	109 Å²	109	63.1 Å²	63.1	66%	0.661	37%	0.369	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-106.8	127	168.7	-175.6	0	0	0	0	108.1	T117	V11-T117 CarbonylContact C-O 3.56Å; V11-T117 WeakPolarHBondContact CA-O 3.37Å
12	K	97.6	Very high	96.2	Very high	44 Å²	44	54 Å²	54	19%	0.191	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	159.6	-176.9	-64.3	-67.4	-174.3	-171	0	110.6	E10 Q16 L86 T117 V118 S119	E10-K12 WeakPolarHBondContact OE2-CE 3.33Å; E10-K12 IonicContact OE2-NZ 2.75Å; E10-K12 PolarHBondContact OE2-NZ 2.75Å; K12-Q16 HydrophobicContact CB-CB 4.48Å; K12-Q16 HydrophobicContact CD-CB 4.32Å; K12-L86 HydrophobicContact CB-CD1 3.65Å; K12-L86 HydrophobicContact CG-CD1 3.71Å; K12-T117 PolarHBondContact N-O 2.94Å; K12-V118 CarbonylContact O-C 3.52Å; K12-V118 VanDerWaalsContact O-CA 3.29Å; K12-V118 WeakPolarHBondContact O-CA 3.28Å; K12-S119 PolarHBondContact O-N 2.98Å
13	K	97.4	Very high	96.9	Very high	113 Å²	113	56 Å²	56	49%	0.491	33%	0.329	S	S	.	.			trans	-96.1	153.3	167.1	-61.6	-165.7	175.4	-141.5	0	110.4	G15 Q16 S120	K13-G15 PolarHBondContact O-N 3.13Å; K13-Q16 HydrophobicContact CB-CG 4.28Å; K13-Q16 WeakPolarHBondContact O-CB 3.38Å; K13-Q16 WeakPolarHBondContact O-CG 3.49Å; K13-Q16 PolarHBondContact O-N 2.92Å; K13-Q16 VanDerWaalsContact O-N 3.15Å; K13-S120 WeakPolarHBondContact CE-OXT 3.09Å; K13-S120 PolarHBondContact NZ-OXT 3.2Å
14	P	97.4	Very high	96.9	Very high	70 Å²	70	53.3 Å²	53.3	46%	0.455	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.1	140.1	169.3	-25.6	34.3	0	0	0	111.5	Q16 L86 V118	P14-Q16 VanDerWaalsContact C-N 3.32Å; P14-L86 CarbonylContact C-O 3.53Å; P14-L86 WeakPolarHBondContact CA-O 3.47Å; P14-V118 HydrophobicContact CG-CG1 4.07Å
15	G	96.6	Very high	96.7	Very high	48 Å²	48	58.9 Å²	58.9	50%	0.495	34%	0.342	S	S	.	.	T	Hydrogen-bonded Turn	trans	87.3	-12.6	-176.5	0	0	0	0	0	115.2	K13 S85 L86	K13-G15 PolarHBondContact O-N 3.13Å; G15-S85 WeakPolarHBondContact CA-OG 3.44Å; G15-L86 PolarHBondContact N-O 3.39Å
16	Q	97.5	Very high	96.1	Very high	89 Å²	89	58.4 Å²	58.4	42%	0.416	35%	0.352	S	S	.	.			trans	-79.4	151.3	176.7	-66	-169.8	-47.7	0	0	111.9	K12 K13 P14 L86	K12-Q16 HydrophobicContact CB-CB 4.48Å; K12-Q16 HydrophobicContact CD-CB 4.32Å; K13-Q16 HydrophobicContact CB-CG 4.28Å; K13-Q16 WeakPolarHBondContact O-CB 3.38Å; K13-Q16 WeakPolarHBondContact O-CG 3.49Å; K13-Q16 PolarHBondContact O-N 2.92Å; K13-Q16 VanDerWaalsContact O-N 3.15Å; P14-Q16 VanDerWaalsContact C-N 3.32Å; Q16-L86 WeakPolarHBondContact O-CB 3.44Å; Q16-L86 WeakPolarHBondContact O-CG 3.41Å; Q16-L86 PolarHBondContact O-N 2.92Å
17	S	96.9	Very high	95.1	Very high	70 Å²	70	59.1 Å²	59.1	49%	0.49	35%	0.354	S	S	.	.			trans	-80.4	156	169.8	62.3	0	0	0	0	111.5	W83	S17-W83 WeakPolarHBondContact CA-O 3.28Å; S17-W83 WeakPolarHBondContact CB-O 3.44Å
18	L	97.3	Very high	94.1	Very high	3 Å²	3	61.7 Å²	61.7	2%	0.016	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	141.2	175.9	168	72.1	0	0	0	108.6	E10 I20 Q82 W83 L86 V116	E10-L18 HydrophobicContact CB-CD1 4.37Å; E10-L18 WeakPolarHBondContact OE1-CD1 3.38Å; L18-I20 HydrophobicContact CD1-CG1 4.07Å; L18-I20 HydrophobicContact CD2-CD1 4.02Å; L18-I20 HydrophobicContact CD2-CG1 3.99Å; L18-I20 HydrophobicContact CG-CG1 3.95Å; L18-Q82 CarbonylContact O-C 3.52Å; L18-Q82 VanDerWaalsContact O-CA 3.23Å; L18-Q82 WeakPolarHBondContact O-CA 3.46Å; L18-Q82 WeakPolarHBondContact O-CG 3.33Å; L18-W83 HydrophobicContact CB-CB 4.21Å; L18-W83 PolarHBondContact N-O 3.18Å; L18-W83 PolarHBondContact O-N 3.46Å; L18-L86 HydrophobicContact CB-CD1 3.75Å; L18-L86 HydrophobicContact CB-CD2 4.39Å; L18-L86 HydrophobicContact CB-CG 4.21Å; L18-L86 HydrophobicContact CD2-CD1 4.33Å; L18-L86 HydrophobicContact CD2-CD2 4.21Å; L18-V116 HydrophobicContact CD1-CG2 4.22Å; L18-V116 HydrophobicContact CD2-CB 4.34Å; L18-V116 HydrophobicContact CD2-CG1 3.89Å; L18-V116 HydrophobicContact CD2-CG2 3.62Å
19	K	98.1	Very high	93.2	Very high	107 Å²	107	59 Å²	59	47%	0.465	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	104.1	173.4	-176.3	174.1	179.9	171.9	0	109.5	Y80 L81 Q82	K19-Y80 HydrophobicContact CD-CD1 4.35Å; K19-Y80 HydrophobicContact CG-CD1 4.2Å; K19-L81 WeakPolarHBondContact CA-O 3.27Å; K19-Q82 HydrophobicContact CB-CG 4.45Å
20	I	98.4	Very high	92.2	Very high	0 Å²	0	58.2 Å²	58.2	0%	0	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87	133.3	175.8	-54.5	-177.3	0	0	0	108.2	S7 L18 W36 Y80 L81 Y94 T114 V116	S7-I20 WeakPolarHBondContact OG-CA 3.47Å; S7-I20 WeakPolarHBondContact OG-CG2 3.37Å; L18-I20 HydrophobicContact CD1-CG1 4.07Å; L18-I20 HydrophobicContact CD2-CD1 4.02Å; L18-I20 HydrophobicContact CD2-CG1 3.99Å; L18-I20 HydrophobicContact CG-CG1 3.95Å; I20-W36 HydrophobicContact CB-CH2 4.23Å; I20-W36 HydrophobicContact CB-CZ3 4.28Å; I20-W36 HydrophobicContact CG2-CH2 3.81Å; I20-W36 HydrophobicContact CG2-CZ3 3.78Å; I20-Y80 VanDerWaalsContact O-CA 3.23Å; I20-Y80 WeakPolarHBondContact O-CA 3.42Å; I20-L81 HydrophobicContact CB-CB 4.48Å; I20-L81 HydrophobicContact CD1-CD2 4.49Å; I20-L81 PolarHBondContact N-O 3.12Å; I20-L81 PolarHBondContact O-N 2.97Å; I20-Y94 HydrophobicContact CD1-CD1 4.19Å; I20-Y94 HydrophobicContact CD1-CD2 3.87Å; I20-Y94 HydrophobicContact CD1-CG 3.54Å; I20-T114 HydrophobicContact CD1-CG2 4.09Å; I20-T114 HydrophobicContact CG1-CG2 4.26Å; I20-T114 HydrophobicContact CG2-CG2 4.25Å; I20-T114 WeakPolarHBondContact CG2-OG1 3.18Å; I20-V116 HydrophobicContact CD1-CG2 4.11Å
21	S	97.9	Very high	91.4	Very high	37 Å²	37	61.7 Å²	61.7	26%	0.259	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	148.4	170.9	65.9	0	0	0	0	110.8	Q6 S7 A79	Q6-S21 CarbonylContact C-O 3.58Å; Q6-S21 WeakPolarHBondContact CA-O 3.36Å; S7-S21 PolarHBondContact N-O 3.06Å; S7-S21 PolarHBondContact OG-N 3.15Å; S21-A79 CarbonylContact C-O 3.53Å
22	C	96.8	Very high	90.8	Very high	0 Å²	0	60.2 Å²	60.2	0%	0	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	107.7	174	173.9	0	0	0	0	109	V5 Q6 W36 T78 A79 C96	V5-C22 WeakPolarHBondContact O-CA 3.36Å; Q6-C22 HydrophobicContact CG-CB 4.18Å; C22-W36 HydrophobicContact CB-CH2 3.62Å; C22-W36 HydrophobicContact CB-CZ2 3.82Å; C22-T78 CarbonylContact O-C 3.55Å; C22-T78 WeakPolarHBondContact O-CA 3.47Å; C22-A79 HydrophobicContact CB-CB 4.47Å; C22-A79 PolarHBondContact N-O 2.91Å; C22-A79 PolarHBondContact O-N 3.3Å; C22-C96 HydrophobicContact CB-CB 3.53Å; C22-C96 WeakPolarHBondContact CB-SG 3.41Å; C22-C96 WeakPolarHBondContact SG-CB 3.37Å; C22-C96 CovalentContact SG-SG 2.01Å; C22-C96 PolarHBondContact SG-SG 2.76Å
23	K	95.3	Very high	90.5	Very high	114 Å²	114	60 Å²	60	50%	0.496	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	130.5	-174.3	-174.1	175	-179.6	177.8	0	111.3	V5 T77 T78	V5-K23 PolarHBondContact N-O 3.1Å; V5-K23 PolarHBondContact O-N 3.18Å; K23-T77 WeakPolarHBondContact CA-O 3.41Å; K23-T78 HydrophobicContact CB-CG2 4.21Å
24	A	92.4	Very high	90.3	Very high	7 Å²	7	54.6 Å²	54.6	6%	0.058	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.6	132.5	166.5	0	0	0	0	0	110.9	Y27 F29 T77	A24-Y27 HydrophobicContact CB-CD1 3.76Å; A24-Y27 HydrophobicContact CB-CD2 4.26Å; A24-Y27 HydrophobicContact CB-CE1 3.51Å; A24-Y27 HydrophobicContact CB-CE2 4.03Å; A24-Y27 HydrophobicContact CB-CG 4.14Å; A24-Y27 VanDerWaalsContact CB-O 3.27Å; A24-Y27 WeakPolarHBondContact CB-O 3.33Å; A24-F29 HydrophobicContact CB-CD1 4Å; A24-F29 HydrophobicContact CB-CE1 3.44Å; A24-F29 VanDerWaalsContact CB-CE1 3.44Å; A24-F29 HydrophobicContact CB-CZ 3.77Å; A24-T77 PolarHBondContact N-O 2.95Å
25	F	88.6	Confident	90.2	Very high	122 Å²	122	51.7 Å²	51.7	54%	0.535	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	127.1	168.4	-169.7	-94.1	0	0	0	109.8	V2 Q3 Y27	V2-F25 WeakPolarHBondContact CA-O 3.15Å; Q3-F25 HydrophobicContact CG-CB 3.85Å; Q3-F25 HydrophobicContact CG-CD1 4.46Å; Q3-F25 PolarHBondContact N-O 3.27Å; Q3-F25 PolarHBondContact O-N 2.81Å; F25-Y27 WeakPolarHBondContact O-CD1 2.9Å
26	G	83.4	Confident	90.3	Very high	62 Å²	62	49.4 Å²	49.4	64%	0.639	26%	0.261	S	S	*	.	S	Bend	trans	83.4	5.1	-178.7	0	0	0	0	0	115.3
27	Y	78	Confident	90.3	Very high	41 Å²	41	45.6 Å²	45.6	16%	0.161	24%	0.244	C	C	.	.	S	Bend	trans	-162.4	176.5	177.3	72.5	-68.1	0	0	0	111.6	V2 L4 A24 F25 F29	V2-Y27 HydrophobicContact CB-CD1 4.36Å; V2-Y27 HydrophobicContact CG1-CD1 3.53Å; V2-Y27 HydrophobicContact CG1-CE1 3.55Å; V2-Y27 HydrophobicContact CG1-CG 4.18Å; V2-Y27 HydrophobicContact CG2-CD1 4.38Å; L4-Y27 WeakPolarHBondContact CD2-OH 3.31Å; L4-Y27 WeakPolarHBondContact CG-OH 2.99Å; A24-Y27 HydrophobicContact CB-CD1 3.76Å; A24-Y27 HydrophobicContact CB-CD2 4.26Å; A24-Y27 HydrophobicContact CB-CE1 3.51Å; A24-Y27 HydrophobicContact CB-CE2 4.03Å; A24-Y27 HydrophobicContact CB-CG 4.14Å; A24-Y27 VanDerWaalsContact CB-O 3.27Å; A24-Y27 WeakPolarHBondContact CB-O 3.33Å; F25-Y27 WeakPolarHBondContact O-CD1 2.9Å; Y27-F29 AromaticContact CE2-CD1 3.85Å; Y27-F29 HydrophobicContact CE2-CD1 3.85Å; Y27-F29 HydrophobicContact CE2-CE1 4.06Å
28	N	75.4	Confident	90.3	Very high	81 Å²	81	43.6 Å²	43.6	43%	0.433	23%	0.225	S	C	.	.			trans	-119.8	164.9	170.4	62.4	6.9	0	0	0	110.6	T30 T77	N28-T30 VanDerWaalsContact C-N 3.27Å; N28-T30 PolarHBondContact ND2-OG1 2.65Å; N28-T30 PolarHBondContact O-N 3.36Å; N28-T30 PolarHBondContact OD1-OG1 2.94Å; N28-T30 VanDerWaalsContact OD1-OG1 3.13Å; N28-T77 HydrophobicContact CB-CG2 4.4Å
29	F	79.7	Confident	90.3	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	24%	0.24	C	C	.	.	S	Bend	trans	-82.6	3.5	-175.9	-56.1	-45.8	0	0	0	114.6	L4 A24 Y27 N31 Y32 I34 P53 L72 I76 T77 A79	L4-F29 HydrophobicContact CD2-CE1 3.65Å; L4-F29 HydrophobicContact CD2-CZ 3.96Å; A24-F29 HydrophobicContact CB-CD1 4Å; A24-F29 HydrophobicContact CB-CE1 3.44Å; A24-F29 VanDerWaalsContact CB-CE1 3.44Å; A24-F29 HydrophobicContact CB-CZ 3.77Å; Y27-F29 AromaticContact CE2-CD1 3.85Å; Y27-F29 HydrophobicContact CE2-CD1 3.85Å; Y27-F29 HydrophobicContact CE2-CE1 4.06Å; F29-N31 PolarHBondContact O-N 3.31Å; F29-Y32 PolarHBondContact O-N 3.02Å; F29-I34 HydrophobicContact CB-CD1 4.11Å; F29-I34 HydrophobicContact CB-CG1 4.11Å; F29-I34 HydrophobicContact CD1-CD1 3.24Å; F29-I34 HydrophobicContact CD1-CG1 3.89Å; F29-I34 HydrophobicContact CD2-CD1 4.3Å; F29-I34 HydrophobicContact CD2-CG1 4.03Å; F29-I34 HydrophobicContact CE1-CD1 3.5Å; F29-I34 VanDerWaalsContact CE1-CD1 3.5Å; F29-I34 HydrophobicContact CE1-CG1 4.18Å; F29-I34 HydrophobicContact CE2-CG1 4.33Å; F29-I34 HydrophobicContact CG-CD1 3.67Å; F29-I34 HydrophobicContact CG-CG1 3.78Å; F29-I34 HydrophobicContact CZ-CD1 4.15Å; F29-I34 HydrophobicContact CZ-CG1 4.39Å; F29-P53 HydrophobicContact CB-CB 4.09Å; F29-P53 HydrophobicContact CB-CG 3.69Å; F29-P53 VanDerWaalsContact O-CG 3.28Å; F29-P53 WeakPolarHBondContact O-CG 3.42Å; F29-L72 HydrophobicContact CD2-CD2 3.6Å; F29-L72 HydrophobicContact CE2-CD2 4.07Å; F29-I76 HydrophobicContact CB-CG2 3.8Å; F29-I76 WeakPolarHBondContact CD2-O 3.48Å; F29-I76 PolarHBondContact N-O 3.25Å; F29-T77 VanDerWaalsContact CE2-O 3.29Å; F29-T77 WeakPolarHBondContact CE2-O 3.23Å; F29-A79 HydrophobicContact CE2-CB 4.13Å
30	T	75.7	Confident	90.1	Very high	56 Å²	56	43.2 Å²	43.2	34%	0.344	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.6	-30.2	-161.6	-38.4	0	0	0	0	115.7	N28	N28-T30 VanDerWaalsContact C-N 3.27Å; N28-T30 PolarHBondContact ND2-OG1 2.65Å; N28-T30 PolarHBondContact O-N 3.36Å; N28-T30 PolarHBondContact OD1-OG1 2.94Å; N28-T30 VanDerWaalsContact OD1-OG1 3.13Å
31	N	80.8	Confident	89.8	Confident	123 Å²	123	49.2 Å²	49.2	66%	0.658	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	-113.4	8.3	-178.2	-61	-27.3	0	0	0	113.8	F29	F29-N31 PolarHBondContact O-N 3.31Å
32	Y	86.4	Confident	89.4	Confident	78 Å²	78	51.5 Å²	51.5	31%	0.306	30%	0.297	S	S	.	.	S	Bend	trans	-134.8	133.9	-172.1	-62.2	-84.5	0	0	0	111.8	F29 P53 R98	F29-Y32 PolarHBondContact O-N 3.02Å; Y32-P53 VanDerWaalsContact O-CD 3.22Å; Y32-P53 WeakPolarHBondContact O-CD 3.49Å; Y32-P53 WeakPolarHBondContact O-CG 3.45Å; Y32-R98 HydrophobicContact CD1-CG 3.83Å; Y32-R98 HydrophobicContact CD2-CG 4.4Å; Y32-R98 VanDerWaalsContact CG-CD 3.43Å; Y32-R98 HydrophobicContact CG-CG 3.63Å
33	W	90.6	Very high	89.2	Confident	39 Å²	39	57 Å²	57	15%	0.148	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.8	144.1	174	-71.4	40.2	0	0	0	109.2	R50 I51 D52 Y57 V99	W33-R50 HydrophobicContact CE3-CB 4.13Å; W33-R50 HydrophobicContact CE3-CG 3.42Å; W33-R50 VanDerWaalsContact CE3-CG 3.42Å; W33-R50 HydrophobicContact CZ3-CG 3.64Å; W33-I51 WeakPolarHBondContact CA-O 3.45Å; W33-D52 HydrophobicContact CD2-CB 4.12Å; W33-D52 VanDerWaalsContact CE2-OD2 3.25Å; W33-D52 HydrophobicContact CH2-CB 4.43Å; W33-D52 HydrophobicContact CZ2-CB 3.91Å; W33-D52 WeakPolarHBondContact CZ2-OD2 3.5Å; W33-D52 VanDerWaalsContact NE1-CG 3.33Å; W33-D52 PolarHBondContact NE1-OD2 3.19Å; W33-Y57 AromaticContact CH2-CD1 3.9Å; W33-Y57 HydrophobicContact CH2-CD1 3.9Å; W33-Y57 HydrophobicContact CH2-CE1 4.05Å; W33-Y57 HydrophobicContact CZ3-CD1 4.35Å; W33-Y57 HydrophobicContact CZ3-CE1 4.43Å; W33-V99 PolarHBondContact N-O 3.33Å; W33-V99 PolarHBondContact O-N 3.2Å
34	I	93.7	Very high	89	Confident	0 Å²	0	54.2 Å²	54.2	0%	0	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	118.5	174.6	-51.9	-57.3	0	0	0	108.2	F29 R50 I51 P53 A79 R98	F29-I34 HydrophobicContact CB-CD1 4.11Å; F29-I34 HydrophobicContact CB-CG1 4.11Å; F29-I34 HydrophobicContact CD1-CD1 3.24Å; F29-I34 HydrophobicContact CD1-CG1 3.89Å; F29-I34 HydrophobicContact CD2-CD1 4.3Å; F29-I34 HydrophobicContact CD2-CG1 4.03Å; F29-I34 HydrophobicContact CE1-CD1 3.5Å; F29-I34 VanDerWaalsContact CE1-CD1 3.5Å; F29-I34 HydrophobicContact CE1-CG1 4.18Å; F29-I34 HydrophobicContact CE2-CG1 4.33Å; F29-I34 HydrophobicContact CG-CD1 3.67Å; F29-I34 HydrophobicContact CG-CG1 3.78Å; F29-I34 HydrophobicContact CZ-CD1 4.15Å; F29-I34 HydrophobicContact CZ-CG1 4.39Å; I34-R50 CarbonylContact O-C 3.56Å; I34-R50 WeakPolarHBondContact O-CA 3.44Å; I34-R50 WeakPolarHBondContact O-CB 3.48Å; I34-I51 HydrophobicContact CB-CG2 3.97Å; I34-I51 PolarHBondContact N-O 3.25Å; I34-I51 PolarHBondContact O-N 3.21Å; I34-P53 HydrophobicContact CG1-CG 4.48Å; I34-A79 HydrophobicContact CB-CB 4.42Å; I34-A79 HydrophobicContact CG2-CB 3.81Å; I34-R98 HydrophobicContact CD1-CG 4.46Å
35	T	95.1	Very high	89.1	Confident	9 Å²	9	58.8 Å²	58.8	6%	0.055	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	144.5	180	-164.4	0	0	0	0	110.8	V37 W47 G49 C96 A97 V99	T35-V37 HydrophobicContact CG2-CG2 4.39Å; T35-W47 PolarHBondContact OG1-NE1 2.76Å; T35-G49 WeakPolarHBondContact CA-O 3.48Å; T35-G49 PolarHBondContact OG1-O 2.76Å; T35-C96 CarbonylContact O-C 3.55Å; T35-C96 VanDerWaalsContact O-CA 3.32Å; T35-C96 WeakPolarHBondContact O-CA 3.5Å; T35-A97 HydrophobicContact CG2-CB 3.8Å; T35-A97 PolarHBondContact N-O 3.15Å; T35-A97 PolarHBondContact O-N 3.46Å; T35-V99 HydrophobicContact CG2-CG2 3.5Å; T35-V99 VanDerWaalsContact CG2-CG2 3.5Å
36	W	97.6	Very high	89.5	Confident	0 Å²	0	55.3 Å²	55.3	0%	0	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	136.1	172.6	-71.7	96.1	0	0	0	110.1	I20 C22 M48 G49 A79 L81 Y95 C96	I20-W36 HydrophobicContact CB-CH2 4.23Å; I20-W36 HydrophobicContact CB-CZ3 4.28Å; I20-W36 HydrophobicContact CG2-CH2 3.81Å; I20-W36 HydrophobicContact CG2-CZ3 3.78Å; C22-W36 HydrophobicContact CB-CH2 3.62Å; C22-W36 HydrophobicContact CB-CZ2 3.82Å; W36-M48 HydrophobicContact CB-CB 4.25Å; W36-M48 PolarHBondContact O-N 2.9Å; W36-G49 PolarHBondContact N-O 2.59Å; W36-A79 HydrophobicContact CZ2-CB 4.2Å; W36-L81 HydrophobicContact CB-CD1 4.43Å; W36-L81 HydrophobicContact CB-CD2 4.49Å; W36-L81 HydrophobicContact CD2-CB 3.64Å; W36-L81 HydrophobicContact CD2-CD1 4.5Å; W36-L81 HydrophobicContact CD2-CD2 4.1Å; W36-L81 HydrophobicContact CD2-CG 4.3Å; W36-L81 HydrophobicContact CE3-CB 3.77Å; W36-L81 HydrophobicContact CE3-CD2 3.78Å; W36-L81 HydrophobicContact CE3-CG 4.36Å; W36-L81 HydrophobicContact CG-CB 4.23Å; W36-L81 HydrophobicContact CG-CD1 4.25Å; W36-L81 HydrophobicContact CG-CD2 4.42Å; W36-L81 HydrophobicContact CH2-CB 3.92Å; W36-L81 HydrophobicContact CZ2-CB 3.81Å; W36-L81 HydrophobicContact CZ3-CB 3.91Å; W36-L81 HydrophobicContact CZ3-CD2 4.32Å; W36-Y95 WeakPolarHBondContact CA-O 3.13Å; W36-C96 HydrophobicContact CD2-CB 4.21Å; W36-C96 HydrophobicContact CE3-CB 3.99Å; W36-C96 HydrophobicContact CH2-CB 3.95Å; W36-C96 HydrophobicContact CZ2-CB 4.14Å; W36-C96 HydrophobicContact CZ3-CB 3.86Å
37	V	97.4	Very high	90.1	Very high	9 Å²	9	56.6 Å²	56.6	6%	0.055	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	139.4	-177	-176.2	0	0	0	0	107.6	T35 L45 E46 Y95 W110	T35-V37 HydrophobicContact CG2-CG2 4.39Å; V37-L45 HydrophobicContact CG1-CB 3.72Å; V37-L45 HydrophobicContact CG1-CD2 3.89Å; V37-L45 HydrophobicContact CG1-CG 4.26Å; V37-E46 CarbonylContact C-O 3.44Å; V37-E46 WeakPolarHBondContact CA-O 3.35Å; V37-E46 WeakPolarHBondContact CG1-O 3.44Å; V37-Y95 PolarHBondContact N-O 2.82Å; V37-Y95 PolarHBondContact O-N 2.7Å; V37-W110 HydrophobicContact CB-CH2 4.33Å; V37-W110 HydrophobicContact CB-CZ3 4.16Å; V37-W110 HydrophobicContact CG1-CH2 4.46Å; V37-W110 HydrophobicContact CG1-CZ3 4.48Å; V37-W110 HydrophobicContact CG2-CH2 3.96Å; V37-W110 HydrophobicContact CG2-CZ3 4.18Å
38	R	96.9	Very high	91	Very high	28 Å²	28	54.6 Å²	54.6	11%	0.106	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	156.3	170	71.3	173.1	-173.8	-171.7	-6.5	111.3	E46 M48 F64 D90 A92 I93 Y94	R38-E46 HydrophobicContact CG-CB 4.06Å; R38-E46 IonicContact CZ-OE2 2.76Å; R38-E46 PolarHBondContact N-O 3.19Å; R38-E46 IonicContact NE-OE2 3.2Å; R38-E46 PolarHBondContact NE-OE2 2.94Å; R38-E46 IonicContact NH2-OE1 2.76Å; R38-E46 IonicContact NH2-OE2 3.8Å; R38-E46 PolarHBondContact NH2-OE2 2.75Å; R38-E46 PolarHBondContact O-N 2.71Å; R38-M48 HydrophobicContact CB-CG 4.44Å; R38-M48 HydrophobicContact CB-SD 3.87Å; R38-M48 HydrophobicContact CG-CG 4.25Å; R38-M48 HydrophobicContact CG-SD 4.18Å; R38-F64 HydrophobicContact CG-CZ 4.31Å; R38-F64 VanDerWaalsContact CZ-CZ 3.41Å; R38-F64 VanDerWaalsContact NE-CZ 3.31Å; R38-D90 IonicContact NH1-OD1 3.42Å; R38-D90 PolarHBondContact NH1-OD1 2.87Å; R38-A92 HydrophobicContact CB-CB 4.13Å; R38-I93 CarbonylContact C-O 3.52Å; R38-I93 VanDerWaalsContact CA-O 3.31Å; R38-I93 WeakPolarHBondContact CA-O 3.14Å; R38-Y94 HydrophobicContact CB-CD1 3.83Å; R38-Y94 HydrophobicContact CB-CE1 3.85Å; R38-Y94 HydrophobicContact CB-CG 4.43Å
39	Q	97.4	Very high	91.9	Very high	69 Å²	69	50.8 Å²	50.8	32%	0.322	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	113.9	174.4	-168.6	179.7	18.9	0	0	109.3	L45 A92 I93 Y95	Q39-L45 HydrophobicContact CB-CD2 3.93Å; Q39-L45 HydrophobicContact CG-CD2 4.17Å; Q39-A92 WeakPolarHBondContact O-CA 3.23Å; Q39-A92 WeakPolarHBondContact O-CB 3.41Å; Q39-I93 PolarHBondContact N-O 2.9Å; Q39-I93 PolarHBondContact O-N 3.36Å; Q39-Y95 HydrophobicContact CB-CE2 3.83Å; Q39-Y95 PolarHBondContact OE1-OH 3.01Å; Q39-Y95 VanDerWaalsContact OE1-OH 3.13Å
40	M	94.9	Very high	92.6	Very high	33 Å²	33	53.2 Å²	53.2	16%	0.163	30%	0.302	C	S	.	.			trans	-82.2	155.5	171.9	-66.8	173.1	-78	0	0	110.1	G42 E43 A92	M40-G42 PolarHBondContact O-N 3.17Å; M40-E43 HydrophobicContact CB-CB 4.07Å; M40-E43 HydrophobicContact CB-CG 4.21Å; M40-E43 WeakPolarHBondContact CE-OE2 3.35Å; M40-E43 PolarHBondContact O-N 2.92Å; M40-E43 VanDerWaalsContact O-N 3.1Å; M40-A92 HydrophobicContact CG-CB 4.13Å
41	S	91.4	Very high	93.5	Very high	125 Å²	125	50.7 Å²	50.7	87%	0.874	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.5	119.6	179.9	179.7	0	0	0	0	110.8	E43	S41-E43 VanDerWaalsContact C-N 3.28Å
42	G	90.4	Very high	94.1	Very high	86 Å²	86	46 Å²	46	89%	0.887	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	81.7	1.5	-179.4	0	0	0	0	0	114.8	M40	M40-G42 PolarHBondContact O-N 3.17Å
43	E	91.6	Very high	94.2	Very high	114 Å²	114	42.5 Å²	42.5	53%	0.533	25%	0.248	S	C	.	.	S	Bend	trans	-111.5	166.7	177.1	-60.4	-167	-159.3	0	0	112.2	M40 S41	M40-E43 HydrophobicContact CB-CB 4.07Å; M40-E43 HydrophobicContact CB-CG 4.21Å; M40-E43 WeakPolarHBondContact CE-OE2 3.35Å; M40-E43 PolarHBondContact O-N 2.92Å; M40-E43 VanDerWaalsContact O-N 3.1Å; S41-E43 VanDerWaalsContact C-N 3.28Å
44	G	92.3	Very high	94.1	Very high	57 Å²	57	44.8 Å²	44.8	59%	0.588	27%	0.27	S	S	*	.			trans	-71.8	-179.9	174.8	0	0	0	0	0	113.2
45	L	94.9	Very high	93.8	Very high	103 Å²	103	49.9 Å²	49.9	54%	0.539	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.4	126.7	170.8	-67.6	176.9	0	0	0	110	V37 Q39 Y95 W110	V37-L45 HydrophobicContact CG1-CB 3.72Å; V37-L45 HydrophobicContact CG1-CD2 3.89Å; V37-L45 HydrophobicContact CG1-CG 4.26Å; Q39-L45 HydrophobicContact CB-CD2 3.93Å; Q39-L45 HydrophobicContact CG-CD2 4.17Å; L45-Y95 HydrophobicContact CD2-CD2 4.46Å; L45-Y95 HydrophobicContact CD2-CE2 4.36Å; L45-W110 HydrophobicContact CD1-CH2 4.2Å
46	E	95.9	Very high	93.6	Very high	48 Å²	48	53 Å²	53	22%	0.224	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	116.1	175.1	-169.5	-178	-170.2	0	0	109.8	V37 R38 F64	V37-E46 CarbonylContact C-O 3.44Å; V37-E46 WeakPolarHBondContact CA-O 3.35Å; V37-E46 WeakPolarHBondContact CG1-O 3.44Å; R38-E46 HydrophobicContact CG-CB 4.06Å; R38-E46 IonicContact CZ-OE2 2.76Å; R38-E46 PolarHBondContact N-O 3.19Å; R38-E46 IonicContact NE-OE2 3.2Å; R38-E46 PolarHBondContact NE-OE2 2.94Å; R38-E46 IonicContact NH2-OE1 2.76Å; R38-E46 IonicContact NH2-OE2 3.8Å; R38-E46 PolarHBondContact NH2-OE2 2.75Å; R38-E46 PolarHBondContact O-N 2.71Å; E46-F64 VanDerWaalsContact CD-CZ 3.44Å; E46-F64 HydrophobicContact CG-CE2 3.92Å; E46-F64 HydrophobicContact CG-CZ 4.04Å; E46-F64 WeakPolarHBondContact OE1-CE2 2.99Å; E46-F64 WeakPolarHBondContact OE2-CZ 3.48Å
47	W	95.5	Very high	93.3	Very high	89 Å²	89	58.6 Å²	58.6	34%	0.337	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.4	129.8	177.5	176.9	73.4	0	0	0	110.9	T35 G49 R50 N59 N61	T35-W47 PolarHBondContact OG1-NE1 2.76Å; W47-G49 PolarHBondContact NE1-O 2.93Å; W47-R50 HydrophobicContact CZ2-CB 4.33Å; W47-R50 HydrophobicContact CZ2-CG 3.91Å; W47-N59 WeakPolarHBondContact CH2-OD1 3.45Å; W47-N61 HydrophobicContact CE3-CB 3.59Å; W47-N61 HydrophobicContact CH2-CB 4.47Å; W47-N61 HydrophobicContact CZ3-CB 3.56Å; W47-N61 VanDerWaalsContact O-CB 3.3Å; W47-N61 WeakPolarHBondContact O-CB 3.16Å; W47-N61 PolarHBondContact O-ND2 2.78Å
48	M	96.8	Very high	93.2	Very high	0 Å²	0	60.4 Å²	60.4	0%	0	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	-36.9	-175	-57.8	179.3	70.9	0	0	112.9	W36 R38 N61 F64 V68 L81 W83 Y94	W36-M48 HydrophobicContact CB-CB 4.25Å; W36-M48 PolarHBondContact O-N 2.9Å; R38-M48 HydrophobicContact CB-CG 4.44Å; R38-M48 HydrophobicContact CB-SD 3.87Å; R38-M48 HydrophobicContact CG-CG 4.25Å; R38-M48 HydrophobicContact CG-SD 4.18Å; M48-N61 WeakPolarHBondContact O-CB 3.44Å; M48-N61 PolarHBondContact O-N 2.81Å; M48-F64 HydrophobicContact CB-CD1 4.41Å; M48-F64 HydrophobicContact CB-CD2 4.2Å; M48-F64 HydrophobicContact CB-CE2 4.37Å; M48-F64 HydrophobicContact CB-CG 4.17Å; M48-F64 HydrophobicContact CE-CD1 3.53Å; M48-F64 HydrophobicContact CE-CE1 3.6Å; M48-F64 HydrophobicContact CE-CG 4.33Å; M48-F64 HydrophobicContact CE-CZ 4.43Å; M48-F64 HydrophobicContact CG-CD1 4.21Å; M48-F64 HydrophobicContact CG-CD2 4.34Å; M48-F64 HydrophobicContact CG-CE1 3.93Å; M48-F64 HydrophobicContact CG-CE2 4.06Å; M48-F64 HydrophobicContact CG-CG 4.36Å; M48-F64 HydrophobicContact CG-CZ 3.82Å; M48-F64 HydrophobicContact SD-CE1 4.42Å; M48-V68 HydrophobicContact CE-CG1 3.92Å; M48-L81 HydrophobicContact CE-CD1 4.09Å; M48-L81 HydrophobicContact CE-CD2 3.78Å; M48-L81 HydrophobicContact CE-CG 4.46Å; M48-L81 HydrophobicContact SD-CD2 3.79Å; M48-W83 HydrophobicContact CE-CZ2 3.79Å; M48-Y94 HydrophobicContact CE-CD1 4.2Å; M48-Y94 HydrophobicContact CE-CE1 3.82Å; M48-Y94 HydrophobicContact SD-CD1 3.72Å; M48-Y94 HydrophobicContact SD-CE1 3.83Å
49	G	95.8	Very high	93.1	Very high	0 Å²	0	61.5 Å²	61.5	0%	0	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	164.8	171.6	-174.1	0	0	0	0	0	112	T35 W36 W47 N59	T35-G49 WeakPolarHBondContact CA-O 3.48Å; T35-G49 PolarHBondContact OG1-O 2.76Å; W36-G49 PolarHBondContact N-O 2.59Å; W47-G49 PolarHBondContact NE1-O 2.93Å; G49-N59 CarbonylContact C-O 3.5Å; G49-N59 WeakPolarHBondContact CA-O 3.43Å
50	R	94.6	Very high	93.1	Very high	52 Å²	52	60.5 Å²	60.5	20%	0.196	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147	149.8	175.7	63.4	-171.4	-176	154.2	4.2	111.4	W33 I34 W47 I58 N59	W33-R50 HydrophobicContact CE3-CB 4.13Å; W33-R50 HydrophobicContact CE3-CG 3.42Å; W33-R50 VanDerWaalsContact CE3-CG 3.42Å; W33-R50 HydrophobicContact CZ3-CG 3.64Å; I34-R50 CarbonylContact O-C 3.56Å; I34-R50 WeakPolarHBondContact O-CA 3.44Å; I34-R50 WeakPolarHBondContact O-CB 3.48Å; W47-R50 HydrophobicContact CZ2-CB 4.33Å; W47-R50 HydrophobicContact CZ2-CG 3.91Å; R50-I58 WeakPolarHBondContact O-CA 3.3Å; R50-I58 WeakPolarHBondContact O-CG2 3.37Å; R50-N59 HydrophobicContact CG-CB 4.06Å; R50-N59 PolarHBondContact N-O 3.15Å; R50-N59 PolarHBondContact O-N 3.47Å
51	I	94.1	Very high	93.1	Very high	2 Å²	2	60.4 Å²	60.4	1%	0.01	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	133.3	178	-174.6	161.6	0	0	0	110.3	W33 I34 P53 Y57 I58 I70 L72	W33-I51 WeakPolarHBondContact CA-O 3.45Å; I34-I51 HydrophobicContact CB-CG2 3.97Å; I34-I51 PolarHBondContact N-O 3.25Å; I34-I51 PolarHBondContact O-N 3.21Å; I51-P53 WeakPolarHBondContact O-CD 3.39Å; I51-Y57 CarbonylContact C-O 3.55Å; I51-Y57 WeakPolarHBondContact CA-O 3.45Å; I51-I58 HydrophobicContact CB-CG1 4.23Å; I51-I58 HydrophobicContact CD1-CD1 4.18Å; I51-I58 HydrophobicContact CD1-CG1 3.84Å; I51-I58 HydrophobicContact CG1-CG1 3.92Å; I51-I70 HydrophobicContact CB-CG2 3.8Å; I51-I70 HydrophobicContact CD1-CG2 4.38Å; I51-I70 HydrophobicContact CG2-CG2 3.75Å; I51-L72 HydrophobicContact CD1-CD1 3.69Å; I51-L72 HydrophobicContact CD1-CG 3.86Å; I51-L72 HydrophobicContact CG1-CD1 3.83Å; I51-L72 HydrophobicContact CG1-CG 4.39Å; I51-L72 HydrophobicContact CG2-CD1 4.14Å; I51-L72 HydrophobicContact CG2-CG 4.18Å
52	D	91.9	Very high	93.4	Very high	25 Å²	25	59.5 Å²	59.5	13%	0.134	34%	0.343	C	S	.	.			trans	-85.8	116.9	167.7	-169	-33.3	0	0	0	108.7	W33 S54 S56 Y57	W33-D52 HydrophobicContact CD2-CB 4.12Å; W33-D52 VanDerWaalsContact CE2-OD2 3.25Å; W33-D52 HydrophobicContact CH2-CB 4.43Å; W33-D52 HydrophobicContact CZ2-CB 3.91Å; W33-D52 WeakPolarHBondContact CZ2-OD2 3.5Å; W33-D52 VanDerWaalsContact NE1-CG 3.33Å; W33-D52 PolarHBondContact NE1-OD2 3.19Å; D52-S54 VanDerWaalsContact CG-OG 3.24Å; D52-S54 PolarHBondContact O-N 2.78Å; D52-S54 VanDerWaalsContact OD1-CB 3.28Å; D52-S54 WeakPolarHBondContact OD1-CB 3.19Å; D52-S54 PolarHBondContact OD1-N 2.94Å; D52-S54 PolarHBondContact OD1-OG 3.42Å; D52-S54 PolarHBondContact OD2-OG 3.06Å; D52-S56 WeakPolarHBondContact O-CA 3.4Å; D52-S56 PolarHBondContact O-N 2.86Å; D52-Y57 PolarHBondContact N-O 2.8Å
53	P	89.6	Confident	93.5	Very high	5 Å²	5	59 Å²	59	3%	0.032	33%	0.326	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73	-12	-178.7	-21.8	37.8	0	0	0	115.1	F29 Y32 I34 I51 L72 I76	F29-P53 HydrophobicContact CB-CB 4.09Å; F29-P53 HydrophobicContact CB-CG 3.69Å; F29-P53 VanDerWaalsContact O-CG 3.28Å; F29-P53 WeakPolarHBondContact O-CG 3.42Å; Y32-P53 VanDerWaalsContact O-CD 3.22Å; Y32-P53 WeakPolarHBondContact O-CD 3.49Å; Y32-P53 WeakPolarHBondContact O-CG 3.45Å; I34-P53 HydrophobicContact CG1-CG 4.48Å; I51-P53 WeakPolarHBondContact O-CD 3.39Å; P53-L72 HydrophobicContact CB-CD1 3.69Å; P53-L72 HydrophobicContact CG-CD1 3.91Å; P53-I76 HydrophobicContact CB-CG2 3.46Å; P53-I76 VanDerWaalsContact CB-CG2 3.46Å; P53-I76 HydrophobicContact CG-CG2 4.46Å
54	S	87.6	Confident	93.7	Very high	87 Å²	87	53.7 Å²	53.7	61%	0.608	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.3	-39.1	-177.9	66.8	0	0	0	0	113	D52	D52-S54 VanDerWaalsContact CG-OG 3.24Å; D52-S54 PolarHBondContact O-N 2.78Å; D52-S54 VanDerWaalsContact OD1-CB 3.28Å; D52-S54 WeakPolarHBondContact OD1-CB 3.19Å; D52-S54 PolarHBondContact OD1-N 2.94Å; D52-S54 PolarHBondContact OD1-OG 3.42Å; D52-S54 PolarHBondContact OD2-OG 3.06Å
55	D	88.8	Confident	93.8	Very high	106 Å²	106	56.9 Å²	56.9	57%	0.567	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-129.9	3.5	-178	66.5	-2.1	0	0	0	113.3	Y57	D55-Y57 PolarHBondContact O-N 2.86Å; D55-Y57 WeakPolarHBondContact OD1-CB 3.2Å; D55-Y57 PolarHBondContact OD1-N 3.12Å
56	S	89.3	Confident	93.7	Very high	76 Å²	76	55.4 Å²	55.4	53%	0.531	31%	0.31	S	S	.	.			trans	60.7	22.5	-174.5	-54	0	0	0	0	113.8	D52 I58	D52-S56 WeakPolarHBondContact O-CA 3.4Å; D52-S56 PolarHBondContact O-N 2.86Å; S56-I58 PolarHBondContact O-N 2.79Å
57	Y	92.6	Very high	93.6	Very high	117 Å²	117	58.2 Å²	58.2	46%	0.459	32%	0.323	S	S	.	.			trans	-62.9	133.1	171.9	173.9	-104.8	0	0	0	110.3	W33 I51 D52 D55 N59	W33-Y57 AromaticContact CH2-CD1 3.9Å; W33-Y57 HydrophobicContact CH2-CD1 3.9Å; W33-Y57 HydrophobicContact CH2-CE1 4.05Å; W33-Y57 HydrophobicContact CZ3-CD1 4.35Å; W33-Y57 HydrophobicContact CZ3-CE1 4.43Å; I51-Y57 CarbonylContact C-O 3.55Å; I51-Y57 WeakPolarHBondContact CA-O 3.45Å; D52-Y57 PolarHBondContact N-O 2.8Å; D55-Y57 PolarHBondContact O-N 2.86Å; D55-Y57 WeakPolarHBondContact OD1-CB 3.2Å; D55-Y57 PolarHBondContact OD1-N 3.12Å; Y57-N59 HydrophobicContact CE1-CB 3.92Å
58	I	95.3	Very high	93.6	Very high	47 Å²	47	54.1 Å²	54.1	24%	0.241	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	127.6	179.1	-52.2	168	0	0	0	109	R50 I51 S56 Y60 I70	R50-I58 WeakPolarHBondContact O-CA 3.3Å; R50-I58 WeakPolarHBondContact O-CG2 3.37Å; I51-I58 HydrophobicContact CB-CG1 4.23Å; I51-I58 HydrophobicContact CD1-CD1 4.18Å; I51-I58 HydrophobicContact CD1-CG1 3.84Å; I51-I58 HydrophobicContact CG1-CG1 3.92Å; S56-I58 PolarHBondContact O-N 2.79Å; I58-Y60 HydrophobicContact CB-CD2 4.37Å; I58-Y60 HydrophobicContact CB-CE2 3.83Å; I58-Y60 HydrophobicContact CD1-CE2 4.4Å; I58-Y60 HydrophobicContact CG2-CD1 4.23Å; I58-Y60 HydrophobicContact CG2-CD2 3.74Å; I58-Y60 HydrophobicContact CG2-CE1 3.88Å; I58-Y60 HydrophobicContact CG2-CE2 3.34Å; I58-Y60 HydrophobicContact CG2-CG 4.17Å; I58-Y60 VanDerWaalsContact CG2-CZ 3.42Å; I58-I70 HydrophobicContact CD1-CB 4.43Å; I58-I70 WeakPolarHBondContact CD1-O 2.98Å; I58-I70 HydrophobicContact CG2-CB 4.17Å; I58-I70 HydrophobicContact CG2-CD1 4.21Å
59	N	94.8	Very high	93.6	Very high	51 Å²	51	57.8 Å²	57.8	27%	0.273	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	113.8	169.5	-171.1	-41.9	0	0	0	108.4	W47 G49 R50 Y57	W47-N59 WeakPolarHBondContact CH2-OD1 3.45Å; G49-N59 CarbonylContact C-O 3.5Å; G49-N59 WeakPolarHBondContact CA-O 3.43Å; R50-N59 HydrophobicContact CG-CB 4.06Å; R50-N59 PolarHBondContact N-O 3.15Å; R50-N59 PolarHBondContact O-N 3.47Å; Y57-N59 HydrophobicContact CE1-CB 3.92Å
60	Y	96.5	Very high	93.7	Very high	48 Å²	48	57.9 Å²	57.9	19%	0.188	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	148.3	179	-70.9	-79.7	0	0	0	111	I58 Q65 V68 I70	I58-Y60 HydrophobicContact CB-CD2 4.37Å; I58-Y60 HydrophobicContact CB-CE2 3.83Å; I58-Y60 HydrophobicContact CD1-CE2 4.4Å; I58-Y60 HydrophobicContact CG2-CD1 4.23Å; I58-Y60 HydrophobicContact CG2-CD2 3.74Å; I58-Y60 HydrophobicContact CG2-CE1 3.88Å; I58-Y60 HydrophobicContact CG2-CE2 3.34Å; I58-Y60 HydrophobicContact CG2-CG 4.17Å; I58-Y60 VanDerWaalsContact CG2-CZ 3.42Å; Y60-Q65 HydrophobicContact CD2-CG 4.31Å; Y60-Q65 HydrophobicContact CG-CB 4.35Å; Y60-Q65 HydrophobicContact CG-CG 4.36Å; Y60-V68 HydrophobicContact CD1-CG2 4.3Å; Y60-V68 HydrophobicContact CE1-CG2 4.04Å; Y60-I70 HydrophobicContact CD1-CD1 4.18Å; Y60-I70 HydrophobicContact CE1-CB 4.37Å; Y60-I70 HydrophobicContact CE1-CD1 3.85Å; Y60-I70 HydrophobicContact CE1-CG1 3.95Å; Y60-I70 PolarHBondContact OH-N 2.75Å
61	N	96.1	Very high	93.8	Very high	30 Å²	30	57.2 Å²	57.2	16%	0.16	33%	0.334	C	S	.	.			trans	-68.2	131.6	155.2	179.1	-26.6	0	0	0	108.3	W47 M48 S63 F64 Q65	W47-N61 HydrophobicContact CE3-CB 3.59Å; W47-N61 HydrophobicContact CH2-CB 4.47Å; W47-N61 HydrophobicContact CZ3-CB 3.56Å; W47-N61 VanDerWaalsContact O-CB 3.3Å; W47-N61 WeakPolarHBondContact O-CB 3.16Å; W47-N61 PolarHBondContact O-ND2 2.78Å; M48-N61 WeakPolarHBondContact O-CB 3.44Å; M48-N61 PolarHBondContact O-N 2.81Å; N61-S63 PolarHBondContact O-N 3.46Å; N61-S63 PolarHBondContact OD1-N 3.01Å; N61-S63 PolarHBondContact OD1-OG 3.06Å; N61-F64 HydrophobicContact CB-CD2 3.84Å; N61-F64 HydrophobicContact CB-CE2 4.49Å; N61-F64 PolarHBondContact O-N 2.91Å; N61-Q65 PolarHBondContact O-N 2.79Å; N61-Q65 VanDerWaalsContact O-N 3.17Å
62	P	96.3	Very high	93.9	Very high	107 Å²	107	58.8 Å²	58.8	70%	0.695	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49	-34.5	178.6	-30.6	36.1	0	0	0	114.8	F64 Q65	P62-F64 PolarHBondContact O-N 2.88Å; P62-Q65 PolarHBondContact O-N 3.22Å
63	S	93.7	Very high	93.9	Very high	75 Å²	75	59.1 Å²	59.1	52%	0.524	34%	0.344	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.8	-20.9	178.6	-57.5	0	0	0	0	114.2	N61	N61-S63 PolarHBondContact O-N 3.46Å; N61-S63 PolarHBondContact OD1-N 3.01Å; N61-S63 PolarHBondContact OD1-OG 3.06Å
64	F	94.8	Very high	93.8	Very high	3 Å²	3	69.2 Å²	69.2	1%	0.013	39%	0.387	C	S	.	.	T	Hydrogen-bonded Turn	trans	-113.1	-11.9	-176.4	-63.6	-86.5	0	0	0	113.2	R38 E46 M48 N61 P62 G66 H67 V68 W83	R38-F64 HydrophobicContact CG-CZ 4.31Å; R38-F64 VanDerWaalsContact CZ-CZ 3.41Å; R38-F64 VanDerWaalsContact NE-CZ 3.31Å; E46-F64 VanDerWaalsContact CD-CZ 3.44Å; E46-F64 HydrophobicContact CG-CE2 3.92Å; E46-F64 HydrophobicContact CG-CZ 4.04Å; E46-F64 WeakPolarHBondContact OE1-CE2 2.99Å; E46-F64 WeakPolarHBondContact OE2-CZ 3.48Å; M48-F64 HydrophobicContact CB-CD1 4.41Å; M48-F64 HydrophobicContact CB-CD2 4.2Å; M48-F64 HydrophobicContact CB-CE2 4.37Å; M48-F64 HydrophobicContact CB-CG 4.17Å; M48-F64 HydrophobicContact CE-CD1 3.53Å; M48-F64 HydrophobicContact CE-CE1 3.6Å; M48-F64 HydrophobicContact CE-CG 4.33Å; M48-F64 HydrophobicContact CE-CZ 4.43Å; M48-F64 HydrophobicContact CG-CD1 4.21Å; M48-F64 HydrophobicContact CG-CD2 4.34Å; M48-F64 HydrophobicContact CG-CE1 3.93Å; M48-F64 HydrophobicContact CG-CE2 4.06Å; M48-F64 HydrophobicContact CG-CG 4.36Å; M48-F64 HydrophobicContact CG-CZ 3.82Å; M48-F64 HydrophobicContact SD-CE1 4.42Å; N61-F64 HydrophobicContact CB-CD2 3.84Å; N61-F64 HydrophobicContact CB-CE2 4.49Å; N61-F64 PolarHBondContact O-N 2.91Å; P62-F64 PolarHBondContact O-N 2.88Å; F64-G66 PolarHBondContact O-N 2.83Å; F64-H67 PolarHBondContact O-N 2.99Å; F64-V68 HydrophobicContact CB-CG2 3.91Å; F64-V68 HydrophobicContact CD1-CG1 4.3Å; F64-V68 PolarHBondContact O-N 2.94Å; F64-V68 VanDerWaalsContact O-N 3.12Å; F64-W83 HydrophobicContact CD1-CH2 4.08Å; F64-W83 HydrophobicContact CD1-CZ2 4.19Å; F64-W83 HydrophobicContact CE1-CH2 4.21Å; F64-W83 HydrophobicContact CE1-CZ2 4.2Å
65	Q	94.5	Very high	93.9	Very high	124 Å²	124	68.6 Å²	68.6	58%	0.579	38%	0.383	S	S	*	.	B	Isolated β-bridge	trans	-62	124.6	-179.7	-171.1	171.4	-6.8	0	0	110.2	Y60 N61 P62 H67	Y60-Q65 HydrophobicContact CD2-CG 4.31Å; Y60-Q65 HydrophobicContact CG-CB 4.35Å; Y60-Q65 HydrophobicContact CG-CG 4.36Å; N61-Q65 PolarHBondContact O-N 2.79Å; N61-Q65 VanDerWaalsContact O-N 3.17Å; P62-Q65 PolarHBondContact O-N 3.22Å; Q65-H67 VanDerWaalsContact C-N 3.26Å; Q65-H67 PolarHBondContact O-N 2.75Å
66	G	92.7	Very high	93.9	Very high	71 Å²	71	65.9 Å²	65.9	73%	0.732	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	84.6	-13.7	-176.7	0	0	0	0	0	115	F64	F64-G66 PolarHBondContact O-N 2.83Å
67	H	93.8	Very high	94	Very high	107 Å²	107	64 Å²	64	50%	0.495	35%	0.353	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.9	-38	173.3	-64.6	-71.2	0	0	0	112.2	F64 Q65 W83	F64-H67 PolarHBondContact O-N 2.99Å; Q65-H67 VanDerWaalsContact C-N 3.26Å; Q65-H67 PolarHBondContact O-N 2.75Å; H67-W83 HydrophobicContact CB-CZ3 4.04Å
68	V	96.3	Very high	94.1	Very high	3 Å²	3	59 Å²	59	2%	0.018	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	150.8	179.7	-50.2	0	0	0	0	111.6	M48 Y60 F64 L81 Q82 W83	M48-V68 HydrophobicContact CE-CG1 3.92Å; Y60-V68 HydrophobicContact CD1-CG2 4.3Å; Y60-V68 HydrophobicContact CE1-CG2 4.04Å; F64-V68 HydrophobicContact CB-CG2 3.91Å; F64-V68 HydrophobicContact CD1-CG1 4.3Å; F64-V68 PolarHBondContact O-N 2.94Å; F64-V68 VanDerWaalsContact O-N 3.12Å; V68-L81 HydrophobicContact CB-CD1 3.95Å; V68-L81 HydrophobicContact CG1-CD1 4.49Å; V68-L81 HydrophobicContact CG2-CD1 3.95Å; V68-Q82 CarbonylContact C-O 3.49Å; V68-Q82 VanDerWaalsContact CA-O 3.27Å; V68-Q82 WeakPolarHBondContact CA-O 3.11Å; V68-W83 HydrophobicContact CG1-CD2 3.57Å; V68-W83 HydrophobicContact CG1-CE3 3.87Å; V68-W83 HydrophobicContact CG1-CG 4.17Å; V68-W83 HydrophobicContact CG1-CH2 3.84Å; V68-W83 HydrophobicContact CG1-CZ2 3.55Å; V68-W83 HydrophobicContact CG1-CZ3 3.99Å
69	T	97.6	Very high	94.2	Very high	77 Å²	77	56.7 Å²	56.7	47%	0.472	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	123.1	171	-58	0	0	0	0	108.9	Q82	T69-Q82 PolarHBondContact N-O 3.03Å; T69-Q82 PolarHBondContact O-N 3.26Å
70	I	97.7	Very high	94.3	Very high	3 Å²	3	56.9 Å²	56.9	2%	0.015	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	136.6	170	-61.5	168.9	0	0	0	108.3	I51 I58 Y60 Y80 L81	I51-I70 HydrophobicContact CB-CG2 3.8Å; I51-I70 HydrophobicContact CD1-CG2 4.38Å; I51-I70 HydrophobicContact CG2-CG2 3.75Å; I58-I70 HydrophobicContact CD1-CB 4.43Å; I58-I70 WeakPolarHBondContact CD1-O 2.98Å; I58-I70 HydrophobicContact CG2-CB 4.17Å; I58-I70 HydrophobicContact CG2-CD1 4.21Å; Y60-I70 HydrophobicContact CD1-CD1 4.18Å; Y60-I70 HydrophobicContact CE1-CB 4.37Å; Y60-I70 HydrophobicContact CE1-CD1 3.85Å; Y60-I70 HydrophobicContact CE1-CG1 3.95Å; Y60-I70 PolarHBondContact OH-N 2.75Å; I70-Y80 WeakPolarHBondContact CA-O 3.47Å; I70-L81 HydrophobicContact CG1-CD1 3.83Å
71	S	96.6	Very high	94.4	Very high	38 Å²	38	54.6 Å²	54.6	27%	0.266	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.5	168.8	179	58.6	0	0	0	0	112.7	A79 Y80	S71-A79 CarbonylContact O-C 3.58Å; S71-A79 WeakPolarHBondContact O-CA 3.19Å; S71-Y80 PolarHBondContact N-O 3.35Å; S71-Y80 PolarHBondContact O-N 2.87Å
72	L	94.7	Very high	94.5	Very high	34 Å²	34	56.6 Å²	56.6	18%	0.178	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	152.1	175.5	-73.1	160.6	0	0	0	110.4	F29 I51 P53 T78 A79	F29-L72 HydrophobicContact CD2-CD2 3.6Å; F29-L72 HydrophobicContact CE2-CD2 4.07Å; I51-L72 HydrophobicContact CD1-CD1 3.69Å; I51-L72 HydrophobicContact CD1-CG 3.86Å; I51-L72 HydrophobicContact CG1-CD1 3.83Å; I51-L72 HydrophobicContact CG1-CG 4.39Å; I51-L72 HydrophobicContact CG2-CD1 4.14Å; I51-L72 HydrophobicContact CG2-CG 4.18Å; P53-L72 HydrophobicContact CB-CD1 3.69Å; P53-L72 HydrophobicContact CG-CD1 3.91Å; L72-T78 CarbonylContact C-O 3.54Å; L72-T78 WeakPolarHBondContact CA-O 3.34Å; L72-A79 HydrophobicContact CD2-CB 3.82Å
73	D	93	Very high	94.5	Very high	32 Å²	32	51.9 Å²	51.9	17%	0.171	29%	0.288	C	S	.	.			trans	-72.6	163.9	166.3	64.7	2.5	0	0	0	112	S75 I76 T77 T78 Y80	D73-S75 VanDerWaalsContact CG-OG 3.32Å; D73-S75 PolarHBondContact O-N 2.86Å; D73-S75 PolarHBondContact OD1-OG 2.86Å; D73-S75 PolarHBondContact OD2-OG 2.79Å; D73-I76 PolarHBondContact O-N 3.2Å; D73-I76 WeakPolarHBondContact OD1-CA 3.32Å; D73-I76 PolarHBondContact OD1-N 2.85Å; D73-T77 PolarHBondContact OD1-N 2.91Å; D73-T77 PolarHBondContact OD1-OG1 2.86Å; D73-T77 PolarHBondContact OD2-OG1 2.89Å; D73-T78 VanDerWaalsContact CG-N 3.29Å; D73-T78 PolarHBondContact N-O 2.85Å; D73-T78 PolarHBondContact OD1-N 2.83Å; D73-T78 WeakPolarHBondContact OD2-CB 3.41Å; D73-T78 PolarHBondContact OD2-N 2.01Å; D73-T78 PolarHBondContact OD2-OG1 3.41Å; D73-Y80 HydrophobicContact CB-CE2 4.1Å
74	K	88.3	Confident	94.5	Very high	218 Å²	218	52.2 Å²	52.2	95%	0.948	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.1	-29.2	-179.4	-67	-174.5	178.4	-177.4	0	113.4	I76	K74-I76 VanDerWaalsContact C-N 3.28Å
75	S	88.4	Confident	94.5	Very high	74 Å²	74	55.2 Å²	55.2	52%	0.517	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.4	-5	178.1	45.2	0	0	0	0	113.2	D73 T77	D73-S75 VanDerWaalsContact CG-OG 3.32Å; D73-S75 PolarHBondContact O-N 2.86Å; D73-S75 PolarHBondContact OD1-OG 2.86Å; D73-S75 PolarHBondContact OD2-OG 2.79Å; S75-T77 PolarHBondContact O-N 3.48Å; S75-T77 PolarHBondContact OG-OG1 2.84Å
76	I	89.6	Confident	94.6	Very high	49 Å²	49	49.5 Å²	49.5	25%	0.251	29%	0.285	S	S	.	.	S	Bend	trans	57.7	37.6	179.3	-54.2	167.8	0	0	0	110.6	F29 P53 D73 K74	F29-I76 HydrophobicContact CB-CG2 3.8Å; F29-I76 WeakPolarHBondContact CD2-O 3.48Å; F29-I76 PolarHBondContact N-O 3.25Å; P53-I76 HydrophobicContact CB-CG2 3.46Å; P53-I76 VanDerWaalsContact CB-CG2 3.46Å; P53-I76 HydrophobicContact CG-CG2 4.46Å; D73-I76 PolarHBondContact O-N 3.2Å; D73-I76 WeakPolarHBondContact OD1-CA 3.32Å; D73-I76 PolarHBondContact OD1-N 2.85Å; K74-I76 VanDerWaalsContact C-N 3.28Å
77	T	91.1	Very high	94.7	Very high	35 Å²	35	49.1 Å²	49.1	22%	0.215	27%	0.266	C	S	.	.			trans	-118.9	-18	-178.8	49.2	0	0	0	0	112.7	K23 A24 N28 F29 D73 S75	K23-T77 WeakPolarHBondContact CA-O 3.41Å; A24-T77 PolarHBondContact N-O 2.95Å; N28-T77 HydrophobicContact CB-CG2 4.4Å; F29-T77 VanDerWaalsContact CE2-O 3.29Å; F29-T77 WeakPolarHBondContact CE2-O 3.23Å; D73-T77 PolarHBondContact OD1-N 2.91Å; D73-T77 PolarHBondContact OD1-OG1 2.86Å; D73-T77 PolarHBondContact OD2-OG1 2.89Å; S75-T77 PolarHBondContact O-N 3.48Å; S75-T77 PolarHBondContact OG-OG1 2.84Å
78	T	95.4	Very high	94.8	Very high	12 Å²	12	47 Å²	47	7%	0.074	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	122	-179.7	-40.5	0	0	0	0	110.2	C22 K23 L72 D73 Y80	C22-T78 CarbonylContact O-C 3.55Å; C22-T78 WeakPolarHBondContact O-CA 3.47Å; K23-T78 HydrophobicContact CB-CG2 4.21Å; L72-T78 CarbonylContact C-O 3.54Å; L72-T78 WeakPolarHBondContact CA-O 3.34Å; D73-T78 VanDerWaalsContact CG-N 3.29Å; D73-T78 PolarHBondContact N-O 2.85Å; D73-T78 PolarHBondContact OD1-N 2.83Å; D73-T78 WeakPolarHBondContact OD2-CB 3.41Å; D73-T78 PolarHBondContact OD2-N 2.01Å; D73-T78 PolarHBondContact OD2-OG1 3.41Å; T78-Y80 HydrophobicContact CG2-CE1 3.83Å; T78-Y80 HydrophobicContact CG2-CE2 3.98Å; T78-Y80 VanDerWaalsContact CG2-CZ 3.5Å; T78-Y80 WeakPolarHBondContact CG2-OH 3.37Å
79	A	96.3	Very high	94.6	Very high	0 Å²	0	50.8 Å²	50.8	0%	0	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95	149.7	170.3	0	0	0	0	0	109.5	S21 C22 F29 I34 W36 S71 L72	S21-A79 CarbonylContact C-O 3.53Å; C22-A79 HydrophobicContact CB-CB 4.47Å; C22-A79 PolarHBondContact N-O 2.91Å; C22-A79 PolarHBondContact O-N 3.3Å; F29-A79 HydrophobicContact CE2-CB 4.13Å; I34-A79 HydrophobicContact CB-CB 4.42Å; I34-A79 HydrophobicContact CG2-CB 3.81Å; W36-A79 HydrophobicContact CZ2-CB 4.2Å; S71-A79 CarbonylContact O-C 3.58Å; S71-A79 WeakPolarHBondContact O-CA 3.19Å; L72-A79 HydrophobicContact CD2-CB 3.82Å
80	Y	97.9	Very high	94.5	Very high	54 Å²	54	47.4 Å²	47.4	21%	0.212	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	141.7	176.3	-54.3	-87.6	0	0	0	110.9	K19 I20 I70 S71 D73 T78	K19-Y80 HydrophobicContact CD-CD1 4.35Å; K19-Y80 HydrophobicContact CG-CD1 4.2Å; I20-Y80 VanDerWaalsContact O-CA 3.23Å; I20-Y80 WeakPolarHBondContact O-CA 3.42Å; I70-Y80 WeakPolarHBondContact CA-O 3.47Å; S71-Y80 PolarHBondContact N-O 3.35Å; S71-Y80 PolarHBondContact O-N 2.87Å; D73-Y80 HydrophobicContact CB-CE2 4.1Å; T78-Y80 HydrophobicContact CG2-CE1 3.83Å; T78-Y80 HydrophobicContact CG2-CE2 3.98Å; T78-Y80 VanDerWaalsContact CG2-CZ 3.5Å; T78-Y80 WeakPolarHBondContact CG2-OH 3.37Å
81	L	98.3	Very high	94.5	Very high	0 Å²	0	49.6 Å²	49.6	0%	0	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	122.1	165.4	178.7	72	0	0	0	107.6	K19 I20 W36 M48 V68 I70 Y94	K19-L81 WeakPolarHBondContact CA-O 3.27Å; I20-L81 HydrophobicContact CB-CB 4.48Å; I20-L81 HydrophobicContact CD1-CD2 4.49Å; I20-L81 PolarHBondContact N-O 3.12Å; I20-L81 PolarHBondContact O-N 2.97Å; W36-L81 HydrophobicContact CB-CD1 4.43Å; W36-L81 HydrophobicContact CB-CD2 4.49Å; W36-L81 HydrophobicContact CD2-CB 3.64Å; W36-L81 HydrophobicContact CD2-CD1 4.5Å; W36-L81 HydrophobicContact CD2-CD2 4.1Å; W36-L81 HydrophobicContact CD2-CG 4.3Å; W36-L81 HydrophobicContact CE3-CB 3.77Å; W36-L81 HydrophobicContact CE3-CD2 3.78Å; W36-L81 HydrophobicContact CE3-CG 4.36Å; W36-L81 HydrophobicContact CG-CB 4.23Å; W36-L81 HydrophobicContact CG-CD1 4.25Å; W36-L81 HydrophobicContact CG-CD2 4.42Å; W36-L81 HydrophobicContact CH2-CB 3.92Å; W36-L81 HydrophobicContact CZ2-CB 3.81Å; W36-L81 HydrophobicContact CZ3-CB 3.91Å; W36-L81 HydrophobicContact CZ3-CD2 4.32Å; M48-L81 HydrophobicContact CE-CD1 4.09Å; M48-L81 HydrophobicContact CE-CD2 3.78Å; M48-L81 HydrophobicContact CE-CG 4.46Å; M48-L81 HydrophobicContact SD-CD2 3.79Å; V68-L81 HydrophobicContact CB-CD1 3.95Å; V68-L81 HydrophobicContact CG1-CD1 4.49Å; V68-L81 HydrophobicContact CG2-CD1 3.95Å; I70-L81 HydrophobicContact CG1-CD1 3.83Å; L81-Y94 HydrophobicContact CD2-CD1 3.64Å; L81-Y94 HydrophobicContact CD2-CE1 4.23Å; L81-Y94 HydrophobicContact CD2-CG 4.48Å
82	Q	98	Very high	94.5	Very high	73 Å²	73	48 Å²	48	34%	0.341	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	128	-176.5	-176.9	173.3	-15	0	0	111.3	L18 K19 V68 T69	L18-Q82 CarbonylContact O-C 3.52Å; L18-Q82 VanDerWaalsContact O-CA 3.23Å; L18-Q82 WeakPolarHBondContact O-CA 3.46Å; L18-Q82 WeakPolarHBondContact O-CG 3.33Å; K19-Q82 HydrophobicContact CB-CG 4.45Å; V68-Q82 CarbonylContact C-O 3.49Å; V68-Q82 VanDerWaalsContact CA-O 3.27Å; V68-Q82 WeakPolarHBondContact CA-O 3.11Å; T69-Q82 PolarHBondContact N-O 3.03Å; T69-Q82 PolarHBondContact O-N 3.26Å
83	W	96.3	Very high	94.7	Very high	7 Å²	7	49 Å²	49	3%	0.027	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	135.9	166.4	-71	81.9	0	0	0	109.6	S17 L18 M48 F64 H67 V68 L86 D90 Y94	S17-W83 WeakPolarHBondContact CA-O 3.28Å; S17-W83 WeakPolarHBondContact CB-O 3.44Å; L18-W83 HydrophobicContact CB-CB 4.21Å; L18-W83 PolarHBondContact N-O 3.18Å; L18-W83 PolarHBondContact O-N 3.46Å; M48-W83 HydrophobicContact CE-CZ2 3.79Å; F64-W83 HydrophobicContact CD1-CH2 4.08Å; F64-W83 HydrophobicContact CD1-CZ2 4.19Å; F64-W83 HydrophobicContact CE1-CH2 4.21Å; F64-W83 HydrophobicContact CE1-CZ2 4.2Å; H67-W83 HydrophobicContact CB-CZ3 4.04Å; V68-W83 HydrophobicContact CG1-CD2 3.57Å; V68-W83 HydrophobicContact CG1-CE3 3.87Å; V68-W83 HydrophobicContact CG1-CG 4.17Å; V68-W83 HydrophobicContact CG1-CH2 3.84Å; V68-W83 HydrophobicContact CG1-CZ2 3.55Å; V68-W83 HydrophobicContact CG1-CZ3 3.99Å; W83-L86 HydrophobicContact CB-CD2 3.84Å; W83-L86 HydrophobicContact CB-CG 4.16Å; W83-L86 HydrophobicContact CD2-CD2 3.83Å; W83-L86 HydrophobicContact CE3-CD2 4.31Å; W83-L86 HydrophobicContact CG-CD2 3.62Å; W83-L86 HydrophobicContact CG-CG 4.46Å; W83-D90 WeakPolarHBondContact CH2-OD1 3.49Å; W83-D90 WeakPolarHBondContact CZ3-OD1 2.98Å; W83-D90 WeakPolarHBondContact CZ3-OD2 3.33Å; W83-Y94 HydrophobicContact CZ2-CE1 4.23Å; W83-Y94 AromaticContact NE1-CE1 3.6Å; W83-Y94 AromaticContact NE1-CZ 3.87Å
84	S	92.8	Very high	95	Very high	83 Å²	83	47.5 Å²	47.5	58%	0.58	27%	0.273	S	S	*	.	S	Bend	trans	-77.1	-41.8	174.1	55.5	0	0	0	0	111.7
85	S	95.3	Very high	95.4	Very high	66 Å²	66	38.9 Å²	38.9	46%	0.462	24%	0.235	S	C	.	.	S	Bend	trans	-151.4	111.2	-177.9	179.7	0	0	0	0	109.6	G15	G15-S85 WeakPolarHBondContact CA-OG 3.44Å
86	L	96.4	Very high	95.8	Very high	3 Å²	3	35.4 Å²	35.4	2%	0.016	21%	0.21	C	C	.	.			trans	-75.5	146.7	178.8	-72.8	169.2	0	0	0	112.2	K12 P14 G15 Q16 L18 W83 D90 V116 V118	K12-L86 HydrophobicContact CB-CD1 3.65Å; K12-L86 HydrophobicContact CG-CD1 3.71Å; P14-L86 CarbonylContact C-O 3.53Å; P14-L86 WeakPolarHBondContact CA-O 3.47Å; G15-L86 PolarHBondContact N-O 3.39Å; Q16-L86 WeakPolarHBondContact O-CB 3.44Å; Q16-L86 WeakPolarHBondContact O-CG 3.41Å; Q16-L86 PolarHBondContact O-N 2.92Å; L18-L86 HydrophobicContact CB-CD1 3.75Å; L18-L86 HydrophobicContact CB-CD2 4.39Å; L18-L86 HydrophobicContact CB-CG 4.21Å; L18-L86 HydrophobicContact CD2-CD1 4.33Å; L18-L86 HydrophobicContact CD2-CD2 4.21Å; W83-L86 HydrophobicContact CB-CD2 3.84Å; W83-L86 HydrophobicContact CB-CG 4.16Å; W83-L86 HydrophobicContact CD2-CD2 3.83Å; W83-L86 HydrophobicContact CE3-CD2 4.31Å; W83-L86 HydrophobicContact CG-CD2 3.62Å; W83-L86 HydrophobicContact CG-CG 4.46Å; L86-D90 WeakPolarHBondContact CA-OD2 3.33Å; L86-D90 HydrophobicContact CD2-CB 3.65Å; L86-V116 HydrophobicContact CD1-CG1 4.44Å; L86-V118 HydrophobicContact CB-CG1 4.2Å; L86-V118 HydrophobicContact CB-CG2 4.2Å; L86-V118 HydrophobicContact CD1-CG2 3.97Å; L86-V118 HydrophobicContact CD2-CG2 4.4Å; L86-V118 HydrophobicContact CG-CG2 4.44Å
87	N	95.3	Very high	96.1	Very high	63 Å²	63	33 Å²	33	34%	0.337	20%	0.198	S	C	.	.			trans	-110.8	164.3	166.2	59	62.8	0	0	0	110.2	S89 D90 V118	N87-S89 PolarHBondContact O-N 3.37Å; N87-S89 WeakPolarHBondContact OD1-CA 3.48Å; N87-S89 WeakPolarHBondContact OD1-CB 3.4Å; N87-S89 PolarHBondContact OD1-N 3.17Å; N87-S89 PolarHBondContact OD1-OG 2.92Å; N87-D90 PolarHBondContact N-OD2 3.05Å; N87-D90 VanDerWaalsContact ND2-CG 3.28Å; N87-D90 PolarHBondContact ND2-OD1 2.81Å; N87-D90 PolarHBondContact ND2-OD2 2.79Å; N87-D90 WeakPolarHBondContact O-CB 3.41Å; N87-D90 PolarHBondContact O-N 3.48Å; N87-D90 PolarHBondContact OD1-N 3.23Å; N87-D90 PolarHBondContact OD1-OD1 2.83Å; N87-D90 VanDerWaalsContact OD1-OD1 3.06Å; N87-D90 PolarHBondContact OD1-OD2 2.96Å; N87-D90 VanDerWaalsContact OD1-OD2 3.12Å; N87-V118 WeakPolarHBondContact O-CG1 3.1Å
88	A	94.9	Very high	96.1	Very high	63 Å²	63	33.5 Å²	33.5	52%	0.521	20%	0.196	S	C	.	.	G	3₁₀ helix	trans	-60.1	-33.3	-178.1	0	0	0	0	0	112.9	D90 T91	A88-D90 PolarHBondContact O-N 3.26Å; A88-T91 PolarHBondContact O-N 2.85Å; A88-T91 PolarHBondContact O-OG1 2.9Å; A88-T91 VanDerWaalsContact O-OG1 3.06Å
89	S	92.9	Very high	95.7	Very high	83 Å²	83	34.1 Å²	34.1	58%	0.58	20%	0.199	S	C	*	.	G	3₁₀ helix	trans	-69.9	-10.9	176.1	39.8	0	0	0	0	114.2	N87 T91	N87-S89 PolarHBondContact O-N 3.37Å; N87-S89 WeakPolarHBondContact OD1-CA 3.48Å; N87-S89 WeakPolarHBondContact OD1-CB 3.4Å; N87-S89 PolarHBondContact OD1-N 3.17Å; N87-S89 PolarHBondContact OD1-OG 2.92Å; S89-T91 PolarHBondContact O-N 3Å
90	D	95.4	Very high	94.9	Very high	5 Å²	5	34.4 Å²	34.4	3%	0.027	20%	0.202	C	C	.	.	G	3₁₀ helix	trans	-79.1	4.5	174.8	-61.4	-34.2	0	0	0	112.7	R38 W83 L86 N87 A88 A92 Y94 V118	R38-D90 IonicContact NH1-OD1 3.42Å; R38-D90 PolarHBondContact NH1-OD1 2.87Å; W83-D90 WeakPolarHBondContact CH2-OD1 3.49Å; W83-D90 WeakPolarHBondContact CZ3-OD1 2.98Å; W83-D90 WeakPolarHBondContact CZ3-OD2 3.33Å; L86-D90 WeakPolarHBondContact CA-OD2 3.33Å; L86-D90 HydrophobicContact CD2-CB 3.65Å; N87-D90 PolarHBondContact N-OD2 3.05Å; N87-D90 VanDerWaalsContact ND2-CG 3.28Å; N87-D90 PolarHBondContact ND2-OD1 2.81Å; N87-D90 PolarHBondContact ND2-OD2 2.79Å; N87-D90 WeakPolarHBondContact O-CB 3.41Å; N87-D90 PolarHBondContact O-N 3.48Å; N87-D90 PolarHBondContact OD1-N 3.23Å; N87-D90 PolarHBondContact OD1-OD1 2.83Å; N87-D90 VanDerWaalsContact OD1-OD1 3.06Å; N87-D90 PolarHBondContact OD1-OD2 2.96Å; N87-D90 VanDerWaalsContact OD1-OD2 3.12Å; A88-D90 PolarHBondContact O-N 3.26Å; D90-A92 PolarHBondContact O-N 3.19Å; D90-A92 VanDerWaalsContact O-N 3.15Å; D90-Y94 WeakPolarHBondContact O-CE2 3.38Å; D90-Y94 PolarHBondContact O-OH 2.92Å; D90-V118 HydrophobicContact CB-CG2 4.43Å
91	T	97.5	Very high	93.6	Very high	50 Å²	50	36 Å²	36	31%	0.307	22%	0.22	S	C	.	.			trans	-64.1	110.4	170.7	-64.7	0	0	0	0	110.2	A88 S89 V116 V118	A88-T91 PolarHBondContact O-N 2.85Å; A88-T91 PolarHBondContact O-OG1 2.9Å; A88-T91 VanDerWaalsContact O-OG1 3.06Å; S89-T91 PolarHBondContact O-N 3Å; T91-V116 WeakPolarHBondContact CA-O 3.28Å; T91-V118 PolarHBondContact OG1-N 2.98Å
92	A	97.7	Very high	92.3	Very high	4 Å²	4	42.3 Å²	42.3	3%	0.033	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-161.7	168.6	-176.3	0	0	0	0	0	111	R38 Q39 M40 D90 Y94 V116	R38-A92 HydrophobicContact CB-CB 4.13Å; Q39-A92 WeakPolarHBondContact O-CA 3.23Å; Q39-A92 WeakPolarHBondContact O-CB 3.41Å; M40-A92 HydrophobicContact CG-CB 4.13Å; D90-A92 PolarHBondContact O-N 3.19Å; D90-A92 VanDerWaalsContact O-N 3.15Å; A92-Y94 HydrophobicContact CB-CD2 4.31Å; A92-Y94 HydrophobicContact CB-CE2 3.78Å; A92-V116 PolarHBondContact N-O 3.13Å; A92-V116 PolarHBondContact O-N 2.82Å
93	I	98.3	Very high	90.7	Very high	55 Å²	55	48 Å²	48	28%	0.282	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	125.3	160.2	-52.4	173.2	0	0	0	107.8	R38 Q39 Y95 T114 L115	R38-I93 CarbonylContact C-O 3.52Å; R38-I93 VanDerWaalsContact CA-O 3.31Å; R38-I93 WeakPolarHBondContact CA-O 3.14Å; Q39-I93 PolarHBondContact N-O 2.9Å; Q39-I93 PolarHBondContact O-N 3.36Å; I93-Y95 HydrophobicContact CB-CE2 3.81Å; I93-Y95 HydrophobicContact CG2-CD1 4.36Å; I93-Y95 HydrophobicContact CG2-CD2 4.26Å; I93-Y95 HydrophobicContact CG2-CE1 3.7Å; I93-Y95 HydrophobicContact CG2-CE2 3.59Å; I93-Y95 WeakPolarHBondContact CG2-OH 3.26Å; I93-T114 WeakPolarHBondContact CA-O 3.48Å; I93-L115 HydrophobicContact CG1-CD1 3.95Å
94	Y	98.3	Very high	89.3	Confident	0 Å²	0	51.4 Å²	51.4	0%	0	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	128	178.9	-67.6	-95.9	0	0	0	109.5	Q6 I20 R38 M48 L81 W83 D90 A92 G113 T114 V116	Q6-Y94 PolarHBondContact NE2-O 2.84Å; I20-Y94 HydrophobicContact CD1-CD1 4.19Å; I20-Y94 HydrophobicContact CD1-CD2 3.87Å; I20-Y94 HydrophobicContact CD1-CG 3.54Å; R38-Y94 HydrophobicContact CB-CD1 3.83Å; R38-Y94 HydrophobicContact CB-CE1 3.85Å; R38-Y94 HydrophobicContact CB-CG 4.43Å; M48-Y94 HydrophobicContact CE-CD1 4.2Å; M48-Y94 HydrophobicContact CE-CE1 3.82Å; M48-Y94 HydrophobicContact SD-CD1 3.72Å; M48-Y94 HydrophobicContact SD-CE1 3.83Å; L81-Y94 HydrophobicContact CD2-CD1 3.64Å; L81-Y94 HydrophobicContact CD2-CE1 4.23Å; L81-Y94 HydrophobicContact CD2-CG 4.48Å; W83-Y94 HydrophobicContact CZ2-CE1 4.23Å; W83-Y94 AromaticContact NE1-CE1 3.6Å; W83-Y94 AromaticContact NE1-CZ 3.87Å; D90-Y94 WeakPolarHBondContact O-CE2 3.38Å; D90-Y94 PolarHBondContact O-OH 2.92Å; A92-Y94 HydrophobicContact CB-CD2 4.31Å; A92-Y94 HydrophobicContact CB-CE2 3.78Å; Y94-G113 CarbonylContact O-C 3.44Å; Y94-G113 VanDerWaalsContact O-CA 3.28Å; Y94-G113 WeakPolarHBondContact O-CA 3.37Å; Y94-T114 PolarHBondContact N-O 3.3Å; Y94-T114 PolarHBondContact O-N 2.86Å; Y94-V116 HydrophobicContact CD2-CB 4.04Å; Y94-V116 HydrophobicContact CD2-CG2 3.6Å; Y94-V116 HydrophobicContact CE2-CB 3.79Å; Y94-V116 HydrophobicContact CE2-CG2 3.77Å
95	Y	98.1	Very high	88.4	Confident	38 Å²	38	51 Å²	51	15%	0.149	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	141	-179.6	-56.3	-86.9	0	0	0	110.1	W36 V37 Q39 L45 I93 W110	W36-Y95 WeakPolarHBondContact CA-O 3.13Å; V37-Y95 PolarHBondContact N-O 2.82Å; V37-Y95 PolarHBondContact O-N 2.7Å; Q39-Y95 HydrophobicContact CB-CE2 3.83Å; Q39-Y95 PolarHBondContact OE1-OH 3.01Å; Q39-Y95 VanDerWaalsContact OE1-OH 3.13Å; L45-Y95 HydrophobicContact CD2-CD2 4.46Å; L45-Y95 HydrophobicContact CD2-CE2 4.36Å; I93-Y95 HydrophobicContact CB-CE2 3.81Å; I93-Y95 HydrophobicContact CG2-CD1 4.36Å; I93-Y95 HydrophobicContact CG2-CD2 4.26Å; I93-Y95 HydrophobicContact CG2-CE1 3.7Å; I93-Y95 HydrophobicContact CG2-CE2 3.59Å; I93-Y95 WeakPolarHBondContact CG2-OH 3.26Å; Y95-W110 HydrophobicContact CG-CE3 4.24Å; Y95-W110 HydrophobicContact CG-CZ3 4.29Å
96	C	96.6	Very high	87.5	Confident	0 Å²	0	53.1 Å²	53.1	0%	0	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	147.2	158.4	61.5	0	0	0	0	109.4	Q6 C22 T35 W36 G111	Q6-C96 WeakPolarHBondContact CG-SG 3.42Å; C22-C96 HydrophobicContact CB-CB 3.53Å; C22-C96 WeakPolarHBondContact CB-SG 3.41Å; C22-C96 WeakPolarHBondContact SG-CB 3.37Å; C22-C96 CovalentContact SG-SG 2.01Å; C22-C96 PolarHBondContact SG-SG 2.76Å; T35-C96 CarbonylContact O-C 3.55Å; T35-C96 VanDerWaalsContact O-CA 3.32Å; T35-C96 WeakPolarHBondContact O-CA 3.5Å; W36-C96 HydrophobicContact CD2-CB 4.21Å; W36-C96 HydrophobicContact CE3-CB 3.99Å; W36-C96 HydrophobicContact CH2-CB 3.95Å; W36-C96 HydrophobicContact CZ2-CB 4.14Å; W36-C96 HydrophobicContact CZ3-CB 3.86Å; C96-G111 PolarHBondContact O-N 2.85Å
97	A	94.7	Very high	86.9	Confident	0 Å²	0	54.3 Å²	54.3	0%	0	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	155.7	171.1	0	0	0	0	0	111	T35 A107 P109 W110	T35-A97 HydrophobicContact CG2-CB 3.8Å; T35-A97 PolarHBondContact N-O 3.15Å; T35-A97 PolarHBondContact O-N 3.46Å; A97-A107 HydrophobicContact CB-CB 3.96Å; A97-P109 WeakPolarHBondContact CA-O 3.35Å; A97-W110 HydrophobicContact CB-CB 4.47Å; A97-W110 HydrophobicContact CB-CD2 3.53Å; A97-W110 HydrophobicContact CB-CE3 3.91Å; A97-W110 HydrophobicContact CB-CG 3.82Å; A97-W110 HydrophobicContact CB-CH2 4.46Å; A97-W110 HydrophobicContact CB-CZ2 4.14Å; A97-W110 HydrophobicContact CB-CZ3 4.35Å
98	R	90.9	Very high	86.2	Confident	45 Å²	45	56.3 Å²	56.3	17%	0.17	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	131.7	173.3	-171.9	-174.9	72.4	167.6	-7.7	109.1	Y32 I34 A107 D108 P109	Y32-R98 HydrophobicContact CD1-CG 3.83Å; Y32-R98 HydrophobicContact CD2-CG 4.4Å; Y32-R98 VanDerWaalsContact CG-CD 3.43Å; Y32-R98 HydrophobicContact CG-CG 3.63Å; I34-R98 HydrophobicContact CD1-CG 4.46Å; R98-A107 CarbonylContact O-C 3.52Å; R98-A107 WeakPolarHBondContact O-CA 3.1Å; R98-D108 PolarHBondContact NE-O 2.91Å; R98-D108 PolarHBondContact NH2-O 2.84Å; R98-D108 PolarHBondContact O-N 2.95Å; R98-P109 PolarHBondContact N-O 3.48Å; R98-P109 VanDerWaalsContact NE-CD 3.32Å
99	V	87.8	Confident	86	Confident	24 Å²	24	53.8 Å²	53.8	15%	0.145	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	139.5	175.4	-172.5	0	0	0	0	108.8	W33 T35 A107	W33-V99 PolarHBondContact N-O 3.33Å; W33-V99 PolarHBondContact O-N 3.2Å; T35-V99 HydrophobicContact CG2-CG2 3.5Å; T35-V99 VanDerWaalsContact CG2-CG2 3.5Å; V99-A107 HydrophobicContact CG2-CB 3.95Å
100	G	80.1	Confident	86.1	Confident	6 Å²	6	54.6 Å²	54.6	6%	0.062	30%	0.302	C	S	.	.			trans	-62.9	164.7	174.2	0	0	0	0	0	113.7	Q102 E105	G100-Q102 PolarHBondContact O-N 2.96Å; G100-E105 VanDerWaalsContact CA-OE2 3.26Å; G100-E105 WeakPolarHBondContact CA-OE2 3.27Å
101	P	69.3	Low	86.1	Confident	89 Å²	89	54.6 Å²	54.6	58%	0.578	30%	0.303	S	S	*	.	S	Bend	trans	-69.6	-19.4	177.3	28.8	-33.9	0	0	0	112.9
102	Q	71.8	Confident	86	Confident	132 Å²	132	62.9 Å²	62.9	62%	0.617	33%	0.328	S	S	*	.	S	Bend	trans	-92	141.7	-178.6	-60	177.2	80.6	0	0	111.9	G100 G104 E105	G100-Q102 PolarHBondContact O-N 2.96Å; Q102-G104 PolarHBondContact O-N 2.85Å; Q102-E105 HydrophobicContact CB-CG 4.15Å; Q102-E105 WeakPolarHBondContact CB-OE1 3.5Å; Q102-E105 PolarHBondContact NE2-OE1 2.78Å; Q102-E105 PolarHBondContact O-N 2.9Å
103	F	64.8	Low	85.9	Confident	191 Å²	191	63.7 Å²	63.7	84%	0.838	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.9	127.9	174.7	-94.7	-90	0	0	0	111
104	G	67.1	Low	85.9	Confident	80 Å²	80	61 Å²	61	83%	0.825	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	92.2	-0.1	176.6	0	0	0	0	0	115.2	Q102	Q102-G104 PolarHBondContact O-N 2.85Å
105	E	74	Confident	85.9	Confident	73 Å²	73	65 Å²	65	34%	0.341	34%	0.344	S	S	.	.	P	Polyproline II helix	trans	-65.5	135.3	170.6	-78.1	-170.7	-155.8	0	0	110.9	G100 Q102 A107	G100-E105 VanDerWaalsContact CA-OE2 3.26Å; G100-E105 WeakPolarHBondContact CA-OE2 3.27Å; Q102-E105 HydrophobicContact CB-CG 4.15Å; Q102-E105 WeakPolarHBondContact CB-OE1 3.5Å; Q102-E105 PolarHBondContact NE2-OE1 2.78Å; Q102-E105 PolarHBondContact O-N 2.9Å; E105-A107 PolarHBondContact O-N 3.28Å
106	P	76.6	Confident	85.9	Confident	112 Å²	112	63.2 Å²	63.2	73%	0.727	34%	0.337	S	S	*	.	P	Polyproline II helix	trans	-62.8	139	177.9	25.2	-31.7	0	0	0	110	D108	P106-D108 PolarHBondContact O-N 2.95Å
107	A	81.9	Confident	86	Confident	28 Å²	28	65.5 Å²	65.5	23%	0.231	35%	0.351	C	S	.	.	P	Polyproline II helix	trans	-70.1	116.7	174	0	0	0	0	0	109	A97 R98 V99 E105 W110	A97-A107 HydrophobicContact CB-CB 3.96Å; R98-A107 CarbonylContact O-C 3.52Å; R98-A107 WeakPolarHBondContact O-CA 3.1Å; V99-A107 HydrophobicContact CG2-CB 3.95Å; E105-A107 PolarHBondContact O-N 3.28Å; A107-W110 HydrophobicContact CB-CZ2 3.79Å; A107-W110 PolarHBondContact O-NE1 2.65Å
108	D	82.5	Confident	86.1	Confident	104 Å²	104	65.9 Å²	65.9	56%	0.556	35%	0.354	S	S	*	.			trans	-162.7	128.9	179.2	-173.8	40.3	0	0	0	110.1	R98 P106	R98-D108 PolarHBondContact NE-O 2.91Å; R98-D108 PolarHBondContact NH2-O 2.84Å; R98-D108 PolarHBondContact O-N 2.95Å; P106-D108 PolarHBondContact O-N 2.95Å
109	P	90.1	Very high	86.3	Confident	11 Å²	11	66.5 Å²	66.5	7%	0.071	37%	0.365	C	S	.	.	S	Bend	cis	-76	159.1	-2.3	32.7	-38	0	0	0	114.5	V2 L4 A97 R98	V2-P109 HydrophobicContact CG1-CG 4.1Å; L4-P109 HydrophobicContact CD1-CG 4.38Å; L4-P109 WeakPolarHBondContact CD1-O 3.29Å; L4-P109 HydrophobicContact CG-CG 4.07Å; A97-P109 WeakPolarHBondContact CA-O 3.35Å; R98-P109 PolarHBondContact N-O 3.48Å; R98-P109 VanDerWaalsContact NE-CD 3.32Å
110	W	94.6	Very high	86.2	Confident	99 Å²	99	71.9 Å²	71.9	38%	0.375	40%	0.404	S	S	.	.	B	Isolated β-bridge	trans	-97.7	146.3	164.3	-73.5	69.9	0	0	0	110.7	V37 L45 Y95 A97 A107	V37-W110 HydrophobicContact CB-CH2 4.33Å; V37-W110 HydrophobicContact CB-CZ3 4.16Å; V37-W110 HydrophobicContact CG1-CH2 4.46Å; V37-W110 HydrophobicContact CG1-CZ3 4.48Å; V37-W110 HydrophobicContact CG2-CH2 3.96Å; V37-W110 HydrophobicContact CG2-CZ3 4.18Å; L45-W110 HydrophobicContact CD1-CH2 4.2Å; Y95-W110 HydrophobicContact CG-CE3 4.24Å; Y95-W110 HydrophobicContact CG-CZ3 4.29Å; A97-W110 HydrophobicContact CB-CB 4.47Å; A97-W110 HydrophobicContact CB-CD2 3.53Å; A97-W110 HydrophobicContact CB-CE3 3.91Å; A97-W110 HydrophobicContact CB-CG 3.82Å; A97-W110 HydrophobicContact CB-CH2 4.46Å; A97-W110 HydrophobicContact CB-CZ2 4.14Å; A97-W110 HydrophobicContact CB-CZ3 4.35Å; A107-W110 HydrophobicContact CB-CZ2 3.79Å; A107-W110 PolarHBondContact O-NE1 2.65Å
111	G	95.1	Very high	86.6	Confident	5 Å²	5	75.2 Å²	75.2	5%	0.052	42%	0.421	C	S	.	.	B	Isolated β-bridge	trans	-71.1	158.8	162.9	0	0	0	0	0	110.9	C96 G113	C96-G111 PolarHBondContact O-N 2.85Å; G111-G113 PolarHBondContact O-N 2.83Å
112	R	95.1	Very high	87.5	Confident	224 Å²	224	74.5 Å²	74.5	85%	0.845	41%	0.413	S	S	*	.			trans	-71.4	-5.9	179.8	-66.2	-171.5	176.6	-171.4	-0.9	114.2
113	G	97.1	Very high	88.3	Confident	21 Å²	21	71.3 Å²	71.3	22%	0.216	40%	0.401	C	S	.	.			trans	88.7	145.6	-177	0	0	0	0	0	113.3	Q6 Y94 G111	Q6-G113 VanDerWaalsContact OE1-N 3.09Å; Y94-G113 CarbonylContact O-C 3.44Å; Y94-G113 VanDerWaalsContact O-CA 3.28Å; Y94-G113 WeakPolarHBondContact O-CA 3.37Å; G111-G113 PolarHBondContact O-N 2.83Å
114	T	98.3	Very high	89.7	Confident	0 Å²	0	64.2 Å²	64.2	0%	0	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	111.9	171.7	-60.3	0	0	0	0	107.7	Q6 S7 G8 I20 I93 Y94 V116	Q6-T114 WeakPolarHBondContact CB-OG1 3.43Å; Q6-T114 PolarHBondContact NE2-OG1 2.91Å; S7-T114 WeakPolarHBondContact O-CG2 3.47Å; S7-T114 PolarHBondContact O-OG1 3.33Å; G8-T114 WeakPolarHBondContact O-CG2 3.22Å; I20-T114 HydrophobicContact CD1-CG2 4.09Å; I20-T114 HydrophobicContact CG1-CG2 4.26Å; I20-T114 HydrophobicContact CG2-CG2 4.25Å; I20-T114 WeakPolarHBondContact CG2-OG1 3.18Å; I93-T114 WeakPolarHBondContact CA-O 3.48Å; Y94-T114 PolarHBondContact N-O 3.3Å; Y94-T114 PolarHBondContact O-N 2.86Å; T114-V116 HydrophobicContact CG2-CG2 4.19Å; T114-V116 PolarHBondContact O-N 3.41Å
115	L	98.3	Very high	91.1	Very high	83 Å²	83	63.3 Å²	63.3	44%	0.435	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	123.8	172.7	175.2	63.7	0	0	0	109.4	A9 E10 I93	A9-L115 CarbonylContact C-O 3.58Å; A9-L115 WeakPolarHBondContact CA-O 3.37Å; A9-L115 HydrophobicContact CB-CB 4.01Å; A9-L115 WeakPolarHBondContact CB-O 3.4Å; E10-L115 PolarHBondContact N-O 3.46Å; I93-L115 HydrophobicContact CG1-CD1 3.95Å
116	V	98.2	Very high	92.3	Very high	0 Å²	0	62.6 Å²	62.6	0%	0	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	126	172.7	179.7	0	0	0	0	108.2	E10 L18 I20 L86 T91 A92 Y94 T114 V118	E10-V116 WeakPolarHBondContact O-CA 3.29Å; L18-V116 HydrophobicContact CD1-CG2 4.22Å; L18-V116 HydrophobicContact CD2-CB 4.34Å; L18-V116 HydrophobicContact CD2-CG1 3.89Å; L18-V116 HydrophobicContact CD2-CG2 3.62Å; I20-V116 HydrophobicContact CD1-CG2 4.11Å; L86-V116 HydrophobicContact CD1-CG1 4.44Å; T91-V116 WeakPolarHBondContact CA-O 3.28Å; A92-V116 PolarHBondContact N-O 3.13Å; A92-V116 PolarHBondContact O-N 2.82Å; Y94-V116 HydrophobicContact CD2-CB 4.04Å; Y94-V116 HydrophobicContact CD2-CG2 3.6Å; Y94-V116 HydrophobicContact CE2-CB 3.79Å; Y94-V116 HydrophobicContact CE2-CG2 3.77Å; T114-V116 HydrophobicContact CG2-CG2 4.19Å; T114-V116 PolarHBondContact O-N 3.41Å; V116-V118 HydrophobicContact CG1-CG2 4.05Å
117	T	98	Very high	93.4	Very high	48 Å²	48	59.1 Å²	59.1	29%	0.294	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	122.9	173.8	-54.2	0	0	0	0	109.5	E10 V11 K12	E10-T117 PolarHBondContact O-N 2.82Å; V11-T117 CarbonylContact C-O 3.56Å; V11-T117 WeakPolarHBondContact CA-O 3.37Å; K12-T117 PolarHBondContact N-O 2.94Å
118	V	97.4	Very high	94.3	Very high	8 Å²	8	61.5 Å²	61.5	5%	0.048	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	105.4	178.7	-168	0	0	0	0	109.6	K12 P14 L86 N87 D90 T91 V116	K12-V118 CarbonylContact O-C 3.52Å; K12-V118 VanDerWaalsContact O-CA 3.29Å; K12-V118 WeakPolarHBondContact O-CA 3.28Å; P14-V118 HydrophobicContact CG-CG1 4.07Å; L86-V118 HydrophobicContact CB-CG1 4.2Å; L86-V118 HydrophobicContact CB-CG2 4.2Å; L86-V118 HydrophobicContact CD1-CG2 3.97Å; L86-V118 HydrophobicContact CD2-CG2 4.4Å; L86-V118 HydrophobicContact CG-CG2 4.44Å; N87-V118 WeakPolarHBondContact O-CG1 3.1Å; D90-V118 HydrophobicContact CB-CG2 4.43Å; T91-V118 PolarHBondContact OG1-N 2.98Å; V116-V118 HydrophobicContact CG1-CG2 4.05Å
119	S	95	Very high	95.2	Very high	58 Å²	58	57.9 Å²	57.9	41%	0.406	31%	0.309	S	S	.	.			trans	-143.8	150.1	-175.5	58.4	0	0	0	0	111.6	K12	K12-S119 PolarHBondContact O-N 2.98Å
120	S	85.8	Confident	95.7	Very high	138 Å²	138	62.2 Å²	62.2	97%	0.965	33%	0.331	S	S	*	.			trans	-75.3	0	-179.7	57.8	0	0	0	0	113.7	K13	K13-S120 WeakPolarHBondContact CE-OXT 3.09Å; K13-S120 PolarHBondContact NZ-OXT 3.2Å

Retrieved 120 of 120 residues in 114.8 ms (Link to these results)

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