A0A068LN17_HUMAN Loading...

Ig heavy chain variable region

AlphaFold DB , UniProt , Accession A0A068LN17, Species HUMAN (Homo sapiens, Human), Gene n/a, Length 121 aa.

						>A0A068LN17_HUMAN|A0A068LN17
QVQLVQSGAEVQKPGASVKVSCRVSGYTLTDLSMRWVRQAPGKGLEWMGGFDPEDGETIYAQKFQGRIIMTEDTSRDTAYMELSSLRSEDTAVYYCTTDLDCSGDTCNDYWGQGTLVTVSS
					

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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	Q	70.3	Confident	92	Very high	203 Å²	203	66.1 Å²	66.1	95%	0.949	39%	0.391	S	S	*	.				0	130.3	0	-175.8	173.3	20.4	0	0	106.7
2	V	78.6	Confident	92.5	Very high	24 Å²	24	65.2 Å²	65.2	15%	0.145	38%	0.38	C	S	.	.			trans	-74.7	133.8	-178.3	-171.2	0	0	0	0	109.7	V24 S25 Y27 L100 Y110	V2-V24 HydrophobicContact CG1-CG1 4.22Å; V2-S25 WeakPolarHBondContact CA-O 3.44Å; V2-Y27 HydrophobicContact CG2-CD2 4.41Å; V2-L100 HydrophobicContact CB-CD1 4.01Å; V2-L100 HydrophobicContact CG1-CD1 3.29Å; V2-L100 HydrophobicContact CG1-CD2 4.04Å; V2-L100 HydrophobicContact CG1-CG 4.33Å; V2-L100 HydrophobicContact CG2-CD1 4.48Å; V2-L100 HydrophobicContact CG2-CD2 4.21Å; V2-Y110 HydrophobicContact CB-CD1 4.08Å; V2-Y110 HydrophobicContact CB-CE1 3.79Å; V2-Y110 HydrophobicContact CG1-CD1 4.44Å
3	Q	88.9	Confident	92.8	Very high	106 Å²	106	70.7 Å²	70.7	50%	0.495	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	137.8	179.5	-67.3	-173.2	-18.2	0	0	110.5	S25	Q3-S25 PolarHBondContact N-O 3.24Å; Q3-S25 PolarHBondContact O-N 2.95Å
4	L	93.2	Very high	93.2	Very high	9 Å²	9	71 Å²	71	5%	0.047	40%	0.403	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	113.5	170.7	-61.2	-171.5	0	0	0	108.5	V24 M34 T98 Y110 Q113	L4-V24 HydrophobicContact CD2-CB 4.47Å; L4-V24 HydrophobicContact CD2-CG1 4.47Å; L4-V24 HydrophobicContact CD2-CG2 3.88Å; L4-M34 HydrophobicContact CD1-SD 4.47Å; L4-M34 HydrophobicContact CD2-CE 4.2Å; L4-T98 HydrophobicContact CD1-CG2 4.19Å; L4-T98 HydrophobicContact CD2-CG2 4.14Å; L4-Y110 WeakPolarHBondContact CD1-O 3.36Å; L4-Q113 PolarHBondContact O-OE1 3.32Å
5	V	95.1	Very high	93.5	Very high	69 Å²	69	69.9 Å²	69.9	42%	0.418	41%	0.414	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	106.5	-175.8	-176.2	0	0	0	0	109.1	R23	V5-R23 PolarHBondContact N-O 2.97Å; V5-R23 PolarHBondContact O-N 3.36Å
6	Q	97.4	Very high	93.8	Very high	11 Å²	11	67.6 Å²	67.6	5%	0.051	40%	0.404	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	160.8	-179.8	-58.9	-178.3	-117.1	0	0	114.4	S21 C22 Y94 C96 G112 Q113 T115	Q6-S21 CarbonylContact C-O 3.58Å; Q6-S21 WeakPolarHBondContact CA-O 3.47Å; Q6-S21 WeakPolarHBondContact CB-O 3.44Å; Q6-C22 HydrophobicContact CG-CB 4.16Å; Q6-Y94 PolarHBondContact NE2-O 2.81Å; Q6-C96 VanDerWaalsContact CD-SG 3.59Å; Q6-C96 WeakPolarHBondContact CG-SG 3.22Å; Q6-G112 VanDerWaalsContact OE1-C 3.29Å; Q6-G112 VanDerWaalsContact OE1-CA 3.28Å; Q6-Q113 VanDerWaalsContact CA-NE2 3.34Å; Q6-Q113 VanDerWaalsContact CB-NE2 3.31Å; Q6-Q113 PolarHBondContact O-NE2 2.64Å; Q6-T115 WeakPolarHBondContact CB-OG1 3.33Å; Q6-T115 PolarHBondContact NE2-OG1 3.16Å
7	S	97.6	Very high	94	Very high	23 Å²	23	66.7 Å²	66.7	16%	0.161	40%	0.402	C	S	.	.	P	Polyproline II helix	trans	-60.1	156.5	169	56.6	0	0	0	0	112.6	S21 T115	S7-S21 WeakPolarHBondContact CB-OG 3.3Å; S7-S21 PolarHBondContact N-O 2.99Å; S7-S21 PolarHBondContact OG-N 2.8Å; S7-T115 PolarHBondContact O-OG1 2.98Å
8	G	97.8	Very high	94.2	Very high	54 Å²	54	63.1 Å²	63.1	56%	0.557	38%	0.381	S	S	*	.	P	Polyproline II helix	trans	-70.5	171.4	178.5	0	0	0	0	0	113.3	T115	G8-T115 VanDerWaalsContact O-CG2 3.26Å; G8-T115 WeakPolarHBondContact O-CG2 3.35Å
9	A	97.9	Very high	94.4	Very high	76 Å²	76	64.9 Å²	64.9	63%	0.628	38%	0.383	S	S	*	.	P	Polyproline II helix	trans	-62	144.8	179.7	0	0	0	0	0	112.7	L116	A9-L116 CarbonylContact C-O 3.56Å; A9-L116 WeakPolarHBondContact CA-O 3.37Å; A9-L116 HydrophobicContact CB-CB 4.01Å; A9-L116 WeakPolarHBondContact CB-O 3.43Å
10	E	97	Very high	94.6	Very high	53 Å²	53	61.7 Å²	61.7	25%	0.248	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	144.4	-178.2	-68.1	-172.2	-135.6	0	0	111.5	Q12 V18 L116 V117 T118	E10-Q12 PolarHBondContact OE2-NE2 3.12Å; E10-V18 HydrophobicContact CB-CG2 4.39Å; E10-V18 WeakPolarHBondContact OE2-CG2 3.39Å; E10-L116 PolarHBondContact N-O 2.97Å; E10-V117 WeakPolarHBondContact O-CA 3.4Å; E10-T118 PolarHBondContact O-N 3.15Å
11	V	97.8	Very high	94.7	Very high	99 Å²	99	60.3 Å²	60.3	60%	0.6	36%	0.358	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-117.2	124.1	172	-175.7	0	0	0	0	107.8	T118 S120	V11-T118 CarbonylContact C-O 3.56Å; V11-T118 WeakPolarHBondContact CA-O 3.41Å; V11-S120 WeakPolarHBondContact CG1-OG 3.48Å
12	Q	97.8	Very high	96	Very high	55 Å²	55	50.7 Å²	50.7	26%	0.257	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	155.8	-176.8	-64.3	-66.1	5.2	0	0	111.3	E10 A16 V18 L86 T118 V119 S120	E10-Q12 PolarHBondContact OE2-NE2 3.12Å; Q12-A16 HydrophobicContact CB-CB 4.39Å; Q12-V18 HydrophobicContact CG-CB 4.37Å; Q12-L86 HydrophobicContact CB-CD1 3.64Å; Q12-L86 HydrophobicContact CG-CD1 4.06Å; Q12-T118 PolarHBondContact N-O 3.09Å; Q12-V119 VanDerWaalsContact O-CA 3.3Å; Q12-V119 WeakPolarHBondContact O-CA 3.47Å; Q12-S120 PolarHBondContact O-N 2.59Å
13	K	97.6	Very high	96.7	Very high	137 Å²	137	56.3 Å²	56.3	60%	0.596	33%	0.331	S	S	*	.			trans	-83	152.7	174.6	-68	-174.2	177.1	-175.7	0	111.1	G15 A16	K13-G15 PolarHBondContact O-N 3.19Å; K13-A16 VanDerWaalsContact O-CB 3.26Å; K13-A16 WeakPolarHBondContact O-CB 3.34Å; K13-A16 PolarHBondContact O-N 3.15Å; K13-A16 VanDerWaalsContact O-N 3.14Å
14	P	98	Very high	96.8	Very high	75 Å²	75	51.4 Å²	51.4	49%	0.487	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.7	137.4	168.8	-25.2	33.6	0	0	0	111.8	A16 L86 V119	P14-A16 VanDerWaalsContact C-N 3.31Å; P14-A16 PolarHBondContact O-N 3.21Å; P14-L86 CarbonylContact C-O 3.53Å; P14-L86 WeakPolarHBondContact CA-O 3.39Å; P14-V119 HydrophobicContact CB-CG1 4.43Å; P14-V119 HydrophobicContact CG-CG1 4.06Å
15	G	97.3	Very high	96.6	Very high	55 Å²	55	53.6 Å²	53.6	57%	0.567	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	85.8	-13.6	-177.7	0	0	0	0	0	115.3	K13 L86	K13-G15 PolarHBondContact O-N 3.19Å; G15-L86 PolarHBondContact N-O 3.22Å
16	A	97.8	Very high	96	Very high	32 Å²	32	53.2 Å²	53.2	26%	0.264	34%	0.335	S	S	.	.			trans	-71.9	175	173.9	0	0	0	0	0	112.1	Q12 K13 P14 S85 L86	Q12-A16 HydrophobicContact CB-CB 4.39Å; K13-A16 VanDerWaalsContact O-CB 3.26Å; K13-A16 WeakPolarHBondContact O-CB 3.34Å; K13-A16 PolarHBondContact O-N 3.15Å; K13-A16 VanDerWaalsContact O-N 3.14Å; P14-A16 VanDerWaalsContact C-N 3.31Å; P14-A16 PolarHBondContact O-N 3.21Å; A16-S85 PolarHBondContact O-N 2.89Å; A16-L86 WeakPolarHBondContact O-CB 3.01Å; A16-L86 VanDerWaalsContact O-CG 3.29Å; A16-L86 WeakPolarHBondContact O-CG 3.31Å; A16-L86 PolarHBondContact O-N 3.47Å
17	S	97.9	Very high	95	Very high	53 Å²	53	57.7 Å²	57.7	37%	0.371	35%	0.352	S	S	.	.			trans	-111.1	151.5	168.4	-59.7	0	0	0	0	110.3	L83 S84	S17-L83 CarbonylContact C-O 3.59Å; S17-L83 VanDerWaalsContact CA-O 3.26Å; S17-L83 WeakPolarHBondContact CA-O 3.46Å; S17-S84 WeakPolarHBondContact OG-CA 3.49Å; S17-S84 WeakPolarHBondContact OG-CB 3.46Å
18	V	97.8	Very high	93.9	Very high	2 Å²	2	59.6 Å²	59.6	1%	0.012	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	144.2	170.3	64	0	0	0	0	109.4	E10 Q12 V20 E82 L83 L86 V117	E10-V18 HydrophobicContact CB-CG2 4.39Å; E10-V18 WeakPolarHBondContact OE2-CG2 3.39Å; Q12-V18 HydrophobicContact CG-CB 4.37Å; V18-V20 HydrophobicContact CG2-CG2 4.44Å; V18-E82 CarbonylContact O-C 3.55Å; V18-E82 VanDerWaalsContact O-CA 3.27Å; V18-E82 WeakPolarHBondContact O-CA 3.2Å; V18-L83 HydrophobicContact CG1-CB 4.07Å; V18-L83 PolarHBondContact N-O 3.37Å; V18-L83 PolarHBondContact O-N 2.92Å; V18-L86 HydrophobicContact CB-CD1 4.01Å; V18-L86 HydrophobicContact CG1-CD1 4.04Å; V18-L86 HydrophobicContact CG1-CD2 3.99Å; V18-L86 HydrophobicContact CG1-CG 4.45Å; V18-V117 HydrophobicContact CB-CG1 4.41Å; V18-V117 HydrophobicContact CG1-CG1 4.2Å; V18-V117 HydrophobicContact CG1-CG2 4.4Å; V18-V117 HydrophobicContact CG2-CG1 4.27Å; V18-V117 HydrophobicContact CG2-CG2 3.96Å
19	K	98.1	Very high	92.8	Very high	98 Å²	98	57 Å²	57	43%	0.426	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	106.1	175.5	-176.6	172.6	-179.5	172.1	0	109.9	Y80 M81 E82	K19-Y80 HydrophobicContact CD-CD1 4.36Å; K19-Y80 VanDerWaalsContact CE-CG 3.42Å; K19-Y80 HydrophobicContact CG-CD1 4.34Å; K19-M81 CarbonylContact C-O 3.56Å; K19-M81 WeakPolarHBondContact CA-O 3.45Å; K19-E82 HydrophobicContact CB-CG 4.47Å
20	V	98.3	Very high	91.6	Very high	0 Å²	0	57.9 Å²	57.9	0%	0	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	131.5	175.4	-175.6	0	0	0	0	108.7	V18 W36 Y80 M81 T115 V117	V18-V20 HydrophobicContact CG2-CG2 4.44Å; V20-W36 HydrophobicContact CB-CH2 4.16Å; V20-W36 HydrophobicContact CB-CZ3 3.98Å; V20-W36 HydrophobicContact CG1-CH2 3.85Å; V20-W36 HydrophobicContact CG1-CZ3 3.55Å; V20-Y80 VanDerWaalsContact O-CA 3.31Å; V20-Y80 WeakPolarHBondContact O-CA 3.36Å; V20-M81 HydrophobicContact CB-CE 4.11Å; V20-M81 HydrophobicContact CG2-CE 3.81Å; V20-M81 PolarHBondContact N-O 2.8Å; V20-M81 PolarHBondContact O-N 2.86Å; V20-T115 HydrophobicContact CG1-CG2 4.1Å; V20-T115 WeakPolarHBondContact CG1-OG1 3.27Å; V20-T115 HydrophobicContact CG2-CG2 4.13Å; V20-V117 HydrophobicContact CG2-CG2 4.28Å
21	S	97.6	Very high	90.2	Very high	33 Å²	33	60.2 Å²	60.2	23%	0.231	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	151.6	172.7	68	0	0	0	0	111.1	Q6 S7 A79	Q6-S21 CarbonylContact C-O 3.58Å; Q6-S21 WeakPolarHBondContact CA-O 3.47Å; Q6-S21 WeakPolarHBondContact CB-O 3.44Å; S7-S21 WeakPolarHBondContact CB-OG 3.3Å; S7-S21 PolarHBondContact N-O 2.99Å; S7-S21 PolarHBondContact OG-N 2.8Å; S21-A79 CarbonylContact C-O 3.48Å; S21-A79 WeakPolarHBondContact CA-O 3.4Å
22	C	95.9	Very high	89.2	Confident	0 Å²	0	56.1 Å²	56.1	0%	0	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141	110.5	173.7	178.8	0	0	0	0	109.4	Q6 W36 T78 A79 C96	Q6-C22 HydrophobicContact CG-CB 4.16Å; C22-W36 HydrophobicContact CB-CH2 3.73Å; C22-W36 HydrophobicContact CB-CZ2 4.08Å; C22-T78 CarbonylContact O-C 3.57Å; C22-T78 WeakPolarHBondContact O-CA 3.33Å; C22-A79 PolarHBondContact N-O 2.91Å; C22-A79 PolarHBondContact O-N 2.99Å; C22-C96 HydrophobicContact CB-CB 3.42Å; C22-C96 VanDerWaalsContact CB-CB 3.42Å; C22-C96 WeakPolarHBondContact CB-SG 3.45Å; C22-C96 WeakPolarHBondContact SG-CB 3.47Å; C22-C96 CovalentContact SG-SG 2.03Å; C22-C96 PolarHBondContact SG-SG 2.81Å
23	R	94.1	Very high	88.4	Confident	143 Å²	143	54.5 Å²	54.5	54%	0.54	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	130.9	178.6	-178.8	177.1	177.8	-175.3	0.7	110.6	V5 D77 T78	V5-R23 PolarHBondContact N-O 2.97Å; V5-R23 PolarHBondContact O-N 3.36Å; R23-D77 CarbonylContact C-O 3.6Å; R23-D77 WeakPolarHBondContact CA-O 3.12Å; R23-T78 HydrophobicContact CB-CG2 4.42Å
24	V	91.5	Very high	88	Confident	3 Å²	3	48 Å²	48	2%	0.018	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	128.7	171.2	-172.4	0	0	0	0	108.6	V2 L4 L29 L32 M34 D77	V2-V24 HydrophobicContact CG1-CG1 4.22Å; L4-V24 HydrophobicContact CD2-CB 4.47Å; L4-V24 HydrophobicContact CD2-CG1 4.47Å; L4-V24 HydrophobicContact CD2-CG2 3.88Å; V24-L29 HydrophobicContact CG2-CD1 3.85Å; V24-L32 HydrophobicContact CG1-CD1 4.03Å; V24-L32 HydrophobicContact CG2-CD1 4.29Å; V24-M34 HydrophobicContact CG2-CE 3.76Å; V24-D77 HydrophobicContact CB-CB 4.39Å; V24-D77 PolarHBondContact N-O 2.06Å
25	S	88.6	Confident	87.8	Confident	55 Å²	55	47.3 Å²	47.3	39%	0.385	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	131.9	174.5	-167.5	0	0	0	0	110	V2 Q3	V2-S25 WeakPolarHBondContact CA-O 3.44Å; Q3-S25 PolarHBondContact N-O 3.24Å; Q3-S25 PolarHBondContact O-N 2.95Å
26	G	82.4	Confident	87.8	Confident	61 Å²	61	44.7 Å²	44.7	63%	0.629	25%	0.249	S	C	*	.	S	Bend	trans	84	8.3	-178.2	0	0	0	0	0	114.9
27	Y	76.6	Confident	87.8	Confident	105 Å²	105	43.6 Å²	43.6	41%	0.412	24%	0.239	S	C	.	.	S	Bend	trans	-155.5	166.9	174.3	-145.3	-106.8	0	0	0	110.7	V2 D31 L32 L100	V2-Y27 HydrophobicContact CG2-CD2 4.41Å; Y27-D31 HydrophobicContact CE1-CB 3.78Å; Y27-L32 HydrophobicContact CD1-CD1 3.81Å; Y27-L32 HydrophobicContact CD1-CD2 4.03Å; Y27-L32 HydrophobicContact CD1-CG 3.87Å; Y27-L32 HydrophobicContact CE1-CD2 3.93Å; Y27-L32 HydrophobicContact CE1-CG 4.15Å; Y27-L100 HydrophobicContact CD1-CD2 3.51Å; Y27-L100 HydrophobicContact CD2-CD2 4.13Å; Y27-L100 HydrophobicContact CE1-CD2 3.82Å; Y27-L100 HydrophobicContact CE2-CD2 4.44Å; Y27-L100 HydrophobicContact CG-CD2 3.65Å
28	T	74.4	Confident	87.8	Confident	62 Å²	62	41.3 Å²	41.3	38%	0.38	22%	0.223	S	C	.	.			trans	-96.5	135.1	177.2	29.9	0	0	0	0	111.3	T30 D31 D77	T28-T30 VanDerWaalsContact C-N 3.26Å; T28-T30 PolarHBondContact O-N 2.68Å; T28-D31 PolarHBondContact O-N 3.03Å; T28-D31 PolarHBondContact OG1-OD2 2.87Å; T28-D77 WeakPolarHBondContact CA-OD1 3.33Å
29	L	75.3	Confident	87.8	Confident	0 Å²	0	44.7 Å²	44.7	0%	0	24%	0.238	C	C	.	.	G	3₁₀ helix	trans	-67.5	-27.1	-178.8	-176.2	66.4	0	0	0	112.5	V24 D31 L32 M34 E72 D77 A79	V24-L29 HydrophobicContact CG2-CD1 3.85Å; L29-D31 PolarHBondContact O-N 2.89Å; L29-L32 PolarHBondContact O-N 3.15Å; L29-M34 HydrophobicContact CD1-CE 3.81Å; L29-E72 HydrophobicContact CD2-CB 3.81Å; L29-E72 HydrophobicContact CD2-CG 3.95Å; L29-D77 HydrophobicContact CB-CB 4.3Å; L29-D77 PolarHBondContact N-OD1 2.84Å; L29-A79 HydrophobicContact CD2-CB 4.44Å
30	T	71.2	Confident	87.8	Confident	94 Å²	94	40.8 Å²	40.8	58%	0.577	22%	0.224	S	C	*	.	G	3₁₀ helix	trans	-58.7	-22.2	-179.6	45.6	0	0	0	0	114.5	T28 T74	T28-T30 VanDerWaalsContact C-N 3.26Å; T28-T30 PolarHBondContact O-N 2.68Å; T30-T74 HydrophobicContact CG2-CG2 3.68Å
31	D	68.3	Low	87.7	Confident	103 Å²	103	45.7 Å²	45.7	55%	0.551	26%	0.256	S	S	*	.	G	3₁₀ helix	trans	-98	5.2	-177.8	-55.9	-56.5	0	0	0	111.9	Y27 T28 L29	Y27-D31 HydrophobicContact CE1-CB 3.78Å; T28-D31 PolarHBondContact O-N 3.03Å; T28-D31 PolarHBondContact OG1-OD2 2.87Å; L29-D31 PolarHBondContact O-N 2.89Å
32	L	76.5	Confident	87.7	Confident	13 Å²	13	48.3 Å²	48.3	7%	0.068	29%	0.288	C	S	.	.			trans	-132.7	141.3	-169.3	-60	-178.8	0	0	0	112.1	V24 Y27 L29 T98 L100	V24-L32 HydrophobicContact CG1-CD1 4.03Å; V24-L32 HydrophobicContact CG2-CD1 4.29Å; Y27-L32 HydrophobicContact CD1-CD1 3.81Å; Y27-L32 HydrophobicContact CD1-CD2 4.03Å; Y27-L32 HydrophobicContact CD1-CG 3.87Å; Y27-L32 HydrophobicContact CE1-CD2 3.93Å; Y27-L32 HydrophobicContact CE1-CG 4.15Å; L29-L32 PolarHBondContact O-N 3.15Å; L32-T98 HydrophobicContact CD1-CG2 4.03Å; L32-L100 HydrophobicContact CD1-CD1 4.28Å; L32-L100 HydrophobicContact CD1-CD2 3.69Å; L32-L100 HydrophobicContact CD1-CG 3.88Å; L32-L100 HydrophobicContact CD2-CB 4.38Å; L32-L100 HydrophobicContact CD2-CD2 3.46Å; L32-L100 VanDerWaalsContact CD2-CD2 3.46Å; L32-L100 HydrophobicContact CD2-CG 3.54Å; L32-L100 HydrophobicContact CG-CD2 4.14Å; L32-L100 HydrophobicContact CG-CG 4.36Å
33	S	81	Confident	87.7	Confident	20 Å²	20	54.8 Å²	54.8	14%	0.14	32%	0.316	C	S	.	.			trans	-97.6	114.1	167.9	-54.7	0	0	0	0	109.6	F51 P53 T98	S33-F51 WeakPolarHBondContact CB-O 3.26Å; S33-P53 WeakPolarHBondContact OG-CA 3.47Å; S33-P53 WeakPolarHBondContact OG-CB 3.41Å; S33-T98 PolarHBondContact O-OG1 2.84Å
34	M	90.3	Very high	87.8	Confident	0 Å²	0	50.4 Å²	50.4	0%	0	32%	0.316	C	S	.	.			trans	-76.3	134.6	175.5	-165	65.8	65.8	0	0	110.9	L4 V24 L29 G50 F51 E72 A79 C96	L4-M34 HydrophobicContact CD1-SD 4.47Å; L4-M34 HydrophobicContact CD2-CE 4.2Å; V24-M34 HydrophobicContact CG2-CE 3.76Å; L29-M34 HydrophobicContact CD1-CE 3.81Å; M34-G50 WeakPolarHBondContact O-CA 3.01Å; M34-F51 HydrophobicContact CB-CD2 4.34Å; M34-F51 WeakPolarHBondContact O-CD2 3.41Å; M34-F51 PolarHBondContact O-N 2.82Å; M34-E72 WeakPolarHBondContact CB-OE1 3.29Å; M34-A79 HydrophobicContact CB-CB 3.86Å; M34-A79 HydrophobicContact CE-CB 4.05Å; M34-A79 HydrophobicContact CG-CB 3.63Å; M34-C96 HydrophobicContact CG-CB 4.31Å; M34-C96 HydrophobicContact SD-CB 3.66Å
35	R	93.4	Very high	88.1	Confident	62 Å²	62	55 Å²	55	23%	0.234	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	152.9	172.6	-54.8	-170.7	-168.3	95.4	-8.2	110.7	G49 C96 T97 D99	R35-G49 WeakPolarHBondContact CA-O 3.36Å; R35-C96 CarbonylContact O-C 3.57Å; R35-C96 WeakPolarHBondContact O-CA 3.44Å; R35-T97 HydrophobicContact CB-CG2 3.83Å; R35-T97 PolarHBondContact N-O 2.85Å; R35-T97 PolarHBondContact O-N 3.45Å; R35-D99 IonicContact CZ-OD1 3.96Å; R35-D99 IonicContact CZ-OD2 3.2Å; R35-D99 IonicContact NH1-OD1 2.84Å; R35-D99 PolarHBondContact NH1-OD1 2.82Å; R35-D99 IonicContact NH1-OD2 2.73Å; R35-D99 PolarHBondContact NH1-OD2 2.82Å; R35-D99 IonicContact NH2-OD2 2.81Å; R35-D99 PolarHBondContact NH2-OD2 3.15Å
36	W	96.9	Very high	88.5	Confident	0 Å²	0	54.9 Å²	54.9	0%	0	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	133.6	-178.5	-67.4	91.5	0	0	0	111.1	V20 C22 M48 G49 M70 A79 M81 Y95 C96	V20-W36 HydrophobicContact CB-CH2 4.16Å; V20-W36 HydrophobicContact CB-CZ3 3.98Å; V20-W36 HydrophobicContact CG1-CH2 3.85Å; V20-W36 HydrophobicContact CG1-CZ3 3.55Å; C22-W36 HydrophobicContact CB-CH2 3.73Å; C22-W36 HydrophobicContact CB-CZ2 4.08Å; W36-M48 HydrophobicContact CB-CB 4.24Å; W36-M48 WeakPolarHBondContact O-CB 3.38Å; W36-M48 PolarHBondContact O-N 3.41Å; W36-G49 PolarHBondContact N-O 3.42Å; W36-M70 HydrophobicContact CB-CE 3.81Å; W36-M70 VanDerWaalsContact CD1-SD 3.53Å; W36-M70 HydrophobicContact CG-CE 4.06Å; W36-M70 HydrophobicContact CG-SD 4.35Å; W36-A79 HydrophobicContact CZ2-CB 4.38Å; W36-M81 HydrophobicContact CD2-CB 3.47Å; W36-M81 VanDerWaalsContact CD2-CB 3.47Å; W36-M81 HydrophobicContact CD2-CG 4.1Å; W36-M81 VanDerWaalsContact CE2-CB 3.43Å; W36-M81 HydrophobicContact CE3-CB 3.85Å; W36-M81 HydrophobicContact CE3-CG 4.46Å; W36-M81 HydrophobicContact CG-CB 3.92Å; W36-M81 HydrophobicContact CG-CG 4.11Å; W36-M81 HydrophobicContact CH2-CB 4.07Å; W36-M81 HydrophobicContact CZ2-CB 3.74Å; W36-M81 HydrophobicContact CZ3-CB 4.13Å; W36-Y95 WeakPolarHBondContact CA-O 3.38Å; W36-C96 HydrophobicContact CD2-CB 4.43Å; W36-C96 HydrophobicContact CE3-CB 4.12Å; W36-C96 HydrophobicContact CH2-CB 4.05Å; W36-C96 HydrophobicContact CZ2-CB 4.33Å; W36-C96 HydrophobicContact CZ3-CB 3.92Å
37	V	97.8	Very high	89.1	Confident	9 Å²	9	57.1 Å²	57.1	6%	0.055	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	144.4	-178.2	-179.9	0	0	0	0	108	L45 E46 Y94 Y95 T97 W111	V37-L45 HydrophobicContact CG1-CB 3.78Å; V37-L45 HydrophobicContact CG1-CD2 3.9Å; V37-L45 HydrophobicContact CG1-CG 4.32Å; V37-E46 CarbonylContact C-O 3.59Å; V37-E46 WeakPolarHBondContact CA-O 3.17Å; V37-Y94 CarbonylContact O-C 3.58Å; V37-Y95 PolarHBondContact N-O 2.9Å; V37-Y95 PolarHBondContact O-N 3.22Å; V37-T97 HydrophobicContact CG2-CG2 4.16Å; V37-W111 HydrophobicContact CB-CH2 4.19Å; V37-W111 HydrophobicContact CB-CZ3 3.97Å; V37-W111 HydrophobicContact CG1-CH2 4.17Å; V37-W111 HydrophobicContact CG1-CZ3 4.13Å; V37-W111 HydrophobicContact CG2-CH2 3.93Å; V37-W111 HydrophobicContact CG2-CZ3 4.13Å
38	R	97.8	Very high	90.1	Very high	5 Å²	5	52.1 Å²	52.1	2%	0.019	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	155.7	169.8	71.3	175.5	-162	175.9	4.8	112.3	E46 M48 F64 D90 A92 V93 Y94	R38-E46 HydrophobicContact CG-CB 4.03Å; R38-E46 IonicContact CZ-OE2 2.68Å; R38-E46 PolarHBondContact N-O 2.75Å; R38-E46 IonicContact NE-OE2 3.94Å; R38-E46 PolarHBondContact NE-OE2 2.61Å; R38-E46 IonicContact NH2-OE2 4Å; R38-E46 PolarHBondContact NH2-OE2 2.81Å; R38-E46 PolarHBondContact O-N 2.86Å; R38-M48 HydrophobicContact CB-CG 4.37Å; R38-M48 HydrophobicContact CB-SD 3.68Å; R38-M48 HydrophobicContact CG-CE 4.45Å; R38-M48 HydrophobicContact CG-CG 4.14Å; R38-M48 HydrophobicContact CG-SD 3.92Å; R38-F64 HydrophobicContact CG-CZ 4.33Å; R38-F64 VanDerWaalsContact NE-CZ 3.33Å; R38-D90 IonicContact CZ-OD1 2.86Å; R38-D90 IonicContact NH1-OD1 3.61Å; R38-D90 PolarHBondContact NH1-OD1 2.85Å; R38-A92 HydrophobicContact CB-CB 4.07Å; R38-A92 HydrophobicContact CG-CB 4.49Å; R38-V93 CarbonylContact C-O 3.43Å; R38-V93 VanDerWaalsContact CA-O 3.26Å; R38-V93 WeakPolarHBondContact CA-O 3.39Å; R38-Y94 HydrophobicContact CB-CD1 3.95Å; R38-Y94 HydrophobicContact CB-CE1 4.02Å; R38-Y94 HydrophobicContact CB-CG 4.36Å
39	Q	98.4	Very high	91.1	Very high	73 Å²	73	49.1 Å²	49.1	34%	0.341	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	105.5	173.2	-166.7	179.8	27.4	0	0	109.7	L45 A92 V93 Y95	Q39-L45 HydrophobicContact CB-CD2 4.05Å; Q39-L45 HydrophobicContact CG-CD2 4.32Å; Q39-A92 WeakPolarHBondContact O-CA 3.46Å; Q39-A92 WeakPolarHBondContact O-CB 3.28Å; Q39-V93 PolarHBondContact N-O 2.78Å; Q39-V93 PolarHBondContact O-N 3.4Å; Q39-Y95 HydrophobicContact CB-CE2 3.85Å; Q39-Y95 PolarHBondContact OE1-OH 2.93Å
40	A	97.9	Very high	91.9	Very high	15 Å²	15	49.2 Å²	49.2	12%	0.124	29%	0.286	C	S	.	.			trans	-76	153.2	172.2	0	0	0	0	0	110.6	G42 K43 A92	A40-G42 PolarHBondContact O-N 2.84Å; A40-K43 HydrophobicContact CB-CB 4.09Å; A40-K43 HydrophobicContact CB-CG 3.93Å; A40-K43 WeakPolarHBondContact O-CB 3.16Å; A40-K43 PolarHBondContact O-N 3.39Å; A40-A92 HydrophobicContact CB-CB 4.35Å
41	P	96.7	Very high	92.8	Very high	104 Å²	104	45.9 Å²	45.9	68%	0.675	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.6	126.4	177.5	-26.6	34.7	0	0	0	112.3	K43 T91	P41-K43 PolarHBondContact O-N 2.96Å; P41-T91 WeakPolarHBondContact CD-O 3.3Å
42	G	96.8	Very high	93.5	Very high	88 Å²	88	43 Å²	43	91%	0.907	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	70.1	13.7	-179	0	0	0	0	0	115	A40	A40-G42 PolarHBondContact O-N 2.84Å
43	K	96.1	Very high	93.4	Very high	135 Å²	135	46.9 Å²	46.9	59%	0.587	27%	0.274	S	S	*	.			trans	-116.3	160.3	176	-57.5	-61.8	-178.4	-178.5	0	111.3	A40 P41	A40-K43 HydrophobicContact CB-CB 4.09Å; A40-K43 HydrophobicContact CB-CG 3.93Å; A40-K43 WeakPolarHBondContact O-CB 3.16Å; A40-K43 PolarHBondContact O-N 3.39Å; P41-K43 PolarHBondContact O-N 2.96Å
44	G	96.4	Very high	93.3	Very high	51 Å²	51	54.7 Å²	54.7	53%	0.526	31%	0.308	S	S	.	.			trans	-72.3	179.3	169.6	0	0	0	0	0	112.2
45	L	97	Very high	92.9	Very high	99 Å²	99	60.1 Å²	60.1	52%	0.518	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.8	130.6	172.1	-64.4	175.2	0	0	0	110.1	V37 Q39 Y95 W111	V37-L45 HydrophobicContact CG1-CB 3.78Å; V37-L45 HydrophobicContact CG1-CD2 3.9Å; V37-L45 HydrophobicContact CG1-CG 4.32Å; Q39-L45 HydrophobicContact CB-CD2 4.05Å; Q39-L45 HydrophobicContact CG-CD2 4.32Å; L45-Y95 HydrophobicContact CD2-CD2 4.48Å; L45-Y95 HydrophobicContact CD2-CE2 4.39Å; L45-W111 HydrophobicContact CD1-CH2 3.95Å; L45-W111 HydrophobicContact CD1-CZ3 4.45Å
46	E	97.1	Very high	92.3	Very high	54 Å²	54	59.2 Å²	59.2	25%	0.252	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	113.6	175.1	-59	-169.2	129.6	0	0	108.8	V37 R38 K63	V37-E46 CarbonylContact C-O 3.59Å; V37-E46 WeakPolarHBondContact CA-O 3.17Å; R38-E46 HydrophobicContact CG-CB 4.03Å; R38-E46 IonicContact CZ-OE2 2.68Å; R38-E46 PolarHBondContact N-O 2.75Å; R38-E46 IonicContact NE-OE2 3.94Å; R38-E46 PolarHBondContact NE-OE2 2.61Å; R38-E46 IonicContact NH2-OE2 4Å; R38-E46 PolarHBondContact NH2-OE2 2.81Å; R38-E46 PolarHBondContact O-N 2.86Å; E46-K63 IonicContact OE1-NZ 3.36Å; E46-K63 PolarHBondContact OE1-NZ 3.31Å; E46-K63 IonicContact OE2-NZ 3.03Å; E46-K63 PolarHBondContact OE2-NZ 2.95Å
47	W	96.1	Very high	91.9	Very high	107 Å²	107	65.5 Å²	65.5	41%	0.405	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.7	134.9	172.8	-178.3	80.6	0	0	0	110.5	G49 I59 A61	W47-G49 VanDerWaalsContact CZ2-C 3.45Å; W47-G49 PolarHBondContact NE1-O 3.47Å; W47-I59 HydrophobicContact CH2-CB 4.1Å; W47-I59 HydrophobicContact CH2-CG2 3.76Å; W47-A61 HydrophobicContact CE3-CB 3.56Å; W47-A61 HydrophobicContact CZ3-CB 3.72Å; W47-A61 VanDerWaalsContact O-CB 3.3Å; W47-A61 WeakPolarHBondContact O-CB 3.26Å
48	M	97.1	Very high	91.6	Very high	0 Å²	0	66.9 Å²	66.9	0%	0	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	-34.7	-174.7	-54.2	-175.8	75.6	0	0	112.8	W36 R38 A61 F64 I68 M70 Y94	W36-M48 HydrophobicContact CB-CB 4.24Å; W36-M48 WeakPolarHBondContact O-CB 3.38Å; W36-M48 PolarHBondContact O-N 3.41Å; R38-M48 HydrophobicContact CB-CG 4.37Å; R38-M48 HydrophobicContact CB-SD 3.68Å; R38-M48 HydrophobicContact CG-CE 4.45Å; R38-M48 HydrophobicContact CG-CG 4.14Å; R38-M48 HydrophobicContact CG-SD 3.92Å; M48-A61 PolarHBondContact O-N 2.71Å; M48-F64 HydrophobicContact CB-CD2 3.97Å; M48-F64 HydrophobicContact CB-CE2 4.1Å; M48-F64 HydrophobicContact CB-CG 4.5Å; M48-F64 HydrophobicContact CE-CD1 3.84Å; M48-F64 HydrophobicContact CE-CE1 3.76Å; M48-F64 HydrophobicContact CE-CE2 4.49Å; M48-F64 HydrophobicContact CE-CG 4.26Å; M48-F64 HydrophobicContact CE-CZ 4.11Å; M48-F64 HydrophobicContact CG-CD2 4.16Å; M48-F64 HydrophobicContact CG-CE2 3.81Å; M48-F64 HydrophobicContact CG-CZ 4.07Å; M48-I68 HydrophobicContact CB-CD1 4.04Å; M48-I68 HydrophobicContact CE-CD1 3.19Å; M48-I68 HydrophobicContact CE-CG1 4.39Å; M48-I68 HydrophobicContact SD-CD1 4.46Å; M48-M70 HydrophobicContact CB-CE 4.26Å; M48-Y94 HydrophobicContact CE-CD1 4.05Å; M48-Y94 HydrophobicContact CE-CE1 3.55Å; M48-Y94 HydrophobicContact SD-CD1 3.65Å; M48-Y94 HydrophobicContact SD-CE1 3.75Å
49	G	95.3	Very high	91.3	Very high	0 Å²	0	70.1 Å²	70.1	0%	0	40%	0.402	C	S	.	.	E	Extended strand (participates in β ladder)	trans	157.9	-180	-174.8	0	0	0	0	0	112.1	R35 W36 W47 I59 M70	R35-G49 WeakPolarHBondContact CA-O 3.36Å; W36-G49 PolarHBondContact N-O 3.42Å; W47-G49 VanDerWaalsContact CZ2-C 3.45Å; W47-G49 PolarHBondContact NE1-O 3.47Å; G49-I59 CarbonylContact C-O 3.59Å; G49-I59 WeakPolarHBondContact CA-O 3.49Å; G49-M70 VanDerWaalsContact CA-CE 3.46Å
50	G	93	Very high	91.2	Very high	2 Å²	2	70.1 Å²	70.1	2%	0.021	40%	0.399	C	S	.	.	E	Extended strand (participates in β ladder)	trans	178.6	-169.6	174	0	0	0	0	0	111.2	M34 T58 I59	M34-G50 WeakPolarHBondContact O-CA 3.01Å; G50-T58 WeakPolarHBondContact O-CA 3.49Å; G50-I59 PolarHBondContact N-O 2.9Å; G50-I59 PolarHBondContact O-N 3.36Å
51	F	88.3	Confident	91.1	Very high	23 Å²	23	70.2 Å²	70.2	10%	0.101	40%	0.4	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	140.8	175	-60	-86	0	0	0	110.5	S33 M34 E57 T58 M70 E72	S33-F51 WeakPolarHBondContact CB-O 3.26Å; M34-F51 HydrophobicContact CB-CD2 4.34Å; M34-F51 WeakPolarHBondContact O-CD2 3.41Å; M34-F51 PolarHBondContact O-N 2.82Å; F51-E57 CarbonylContact C-O 3.57Å; F51-E57 WeakPolarHBondContact CA-O 3.3Å; F51-T58 HydrophobicContact CE1-CG2 4.28Å; F51-T58 WeakPolarHBondContact CE1-OG1 3.37Å; F51-M70 HydrophobicContact CE2-CB 4.13Å; F51-M70 HydrophobicContact CZ-CB 3.8Å; F51-E72 HydrophobicContact CD2-CG 4.09Å; F51-E72 WeakPolarHBondContact CD2-OE1 3.47Å; F51-E72 HydrophobicContact CE1-CG 4.45Å; F51-E72 HydrophobicContact CE2-CG 3.49Å; F51-E72 VanDerWaalsContact CE2-CG 3.49Å; F51-E72 WeakPolarHBondContact CE2-OE1 3.27Å; F51-E72 HydrophobicContact CZ-CG 3.7Å
52	D	82.9	Confident	91	Very high	43 Å²	43	73.6 Å²	73.6	23%	0.23	41%	0.407	C	S	.	.			trans	-67.6	130.5	169.6	-166.4	-69.8	0	0	0	109.4	E54 D55 G56 E57 I59	D52-E54 VanDerWaalsContact C-N 3.29Å; D52-E54 PolarHBondContact O-N 2.98Å; D52-E54 WeakPolarHBondContact OD1-CB 3.46Å; D52-E54 PolarHBondContact OD1-N 2.83Å; D52-D55 WeakPolarHBondContact CB-OD1 3.26Å; D52-G56 WeakPolarHBondContact O-CA 3.43Å; D52-G56 PolarHBondContact O-N 2.88Å; D52-E57 HydrophobicContact CB-CB 4.45Å; D52-E57 PolarHBondContact N-O 3.14Å; D52-I59 HydrophobicContact CB-CD1 4.04Å; D52-I59 HydrophobicContact CB-CG1 4.42Å
53	P	76	Confident	90.7	Very high	94 Å²	94	74.8 Å²	74.8	61%	0.61	39%	0.387	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.1	-18.5	-179.6	29.3	-35.3	0	0	0	114.5	S33	S33-P53 WeakPolarHBondContact OG-CA 3.47Å; S33-P53 WeakPolarHBondContact OG-CB 3.41Å
54	E	77.9	Confident	90.6	Very high	184 Å²	184	68.4 Å²	68.4	86%	0.86	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.8	-44.3	-177.4	-60.7	-169.7	171.9	0	0	112.5	D52	D52-E54 VanDerWaalsContact C-N 3.29Å; D52-E54 PolarHBondContact O-N 2.98Å; D52-E54 WeakPolarHBondContact OD1-CB 3.46Å; D52-E54 PolarHBondContact OD1-N 2.83Å
55	D	82.7	Confident	90.4	Very high	114 Å²	114	72.3 Å²	72.3	61%	0.61	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	-127.2	-3.8	-173.4	67.7	11.1	0	0	0	114.9	D52 E57	D52-D55 WeakPolarHBondContact CB-OD1 3.26Å; D55-E57 VanDerWaalsContact C-N 3.26Å; D55-E57 PolarHBondContact O-N 2.88Å; D55-E57 VanDerWaalsContact OD1-CB 3.29Å; D55-E57 WeakPolarHBondContact OD1-CB 3.49Å; D55-E57 PolarHBondContact OD1-N 2.76Å
56	G	80.4	Confident	90.2	Very high	44 Å²	44	71.2 Å²	71.2	45%	0.454	38%	0.376	S	S	.	.			trans	74.4	11.3	179.4	0	0	0	0	0	114.2	D52	D52-G56 WeakPolarHBondContact O-CA 3.43Å; D52-G56 PolarHBondContact O-N 2.88Å
57	E	87.9	Confident	90.2	Very high	132 Å²	132	69.8 Å²	69.8	62%	0.617	37%	0.369	S	S	*	.	P	Polyproline II helix	trans	-62	139.2	175.3	-168	-179.3	-169.4	0	0	110.3	F51 D52 D55 I59	F51-E57 CarbonylContact C-O 3.57Å; F51-E57 WeakPolarHBondContact CA-O 3.3Å; D52-E57 HydrophobicContact CB-CB 4.45Å; D52-E57 PolarHBondContact N-O 3.14Å; D55-E57 VanDerWaalsContact C-N 3.26Å; D55-E57 PolarHBondContact O-N 2.88Å; D55-E57 VanDerWaalsContact OD1-CB 3.29Å; D55-E57 WeakPolarHBondContact OD1-CB 3.49Å; D55-E57 PolarHBondContact OD1-N 2.76Å; E57-I59 PolarHBondContact O-N 3.15Å
58	T	91.8	Very high	90.2	Very high	38 Å²	38	65 Å²	65	23%	0.233	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	119.3	175.4	-44.2	0	0	0	0	110.9	G50 F51 Y60 M70	G50-T58 WeakPolarHBondContact O-CA 3.49Å; F51-T58 HydrophobicContact CE1-CG2 4.28Å; F51-T58 WeakPolarHBondContact CE1-OG1 3.37Å; T58-Y60 HydrophobicContact CG2-CD2 4.36Å; T58-Y60 HydrophobicContact CG2-CE1 3.87Å; T58-Y60 HydrophobicContact CG2-CE2 3.61Å; T58-Y60 WeakPolarHBondContact CG2-OH 3.34Å; T58-M70 HydrophobicContact CG2-CB 3.96Å; T58-M70 HydrophobicContact CG2-CG 4.39Å; T58-M70 HydrophobicContact CG2-SD 4.25Å
59	I	92.8	Very high	90.1	Very high	73 Å²	73	69.6 Å²	69.6	37%	0.374	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	133	177.5	-44.5	176.1	0	0	0	108.9	W47 G49 G50 D52 E57	W47-I59 HydrophobicContact CH2-CB 4.1Å; W47-I59 HydrophobicContact CH2-CG2 3.76Å; G49-I59 CarbonylContact C-O 3.59Å; G49-I59 WeakPolarHBondContact CA-O 3.49Å; G50-I59 PolarHBondContact N-O 2.9Å; G50-I59 PolarHBondContact O-N 3.36Å; D52-I59 HydrophobicContact CB-CD1 4.04Å; D52-I59 HydrophobicContact CB-CG1 4.42Å; E57-I59 PolarHBondContact O-N 3.15Å
60	Y	94.8	Very high	90.2	Very high	72 Å²	72	69.9 Å²	69.9	28%	0.282	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	142.1	180	-59.2	-87.3	0	0	0	111.3	T58 I68 M70	T58-Y60 HydrophobicContact CG2-CD2 4.36Å; T58-Y60 HydrophobicContact CG2-CE1 3.87Å; T58-Y60 HydrophobicContact CG2-CE2 3.61Å; T58-Y60 WeakPolarHBondContact CG2-OH 3.34Å; Y60-I68 HydrophobicContact CD1-CB 4.33Å; Y60-I68 HydrophobicContact CD1-CG2 4.43Å; Y60-I68 HydrophobicContact CE1-CB 4.32Å; Y60-I68 HydrophobicContact CE1-CG2 4.18Å; Y60-I68 WeakPolarHBondContact CE1-O 3.16Å; Y60-M70 HydrophobicContact CE1-CG 4.3Å
61	A	95.4	Very high	90.2	Very high	17 Å²	17	72.9 Å²	72.9	14%	0.14	39%	0.394	C	S	.	.			trans	-70.2	137.8	166.1	0	0	0	0	0	109.7	W47 M48 K63 F64 Q65	W47-A61 HydrophobicContact CE3-CB 3.56Å; W47-A61 HydrophobicContact CZ3-CB 3.72Å; W47-A61 VanDerWaalsContact O-CB 3.3Å; W47-A61 WeakPolarHBondContact O-CB 3.26Å; M48-A61 PolarHBondContact O-N 2.71Å; A61-K63 PolarHBondContact O-N 3.03Å; A61-F64 HydrophobicContact CB-CD2 3.87Å; A61-F64 HydrophobicContact CB-CE2 4.41Å; A61-F64 PolarHBondContact O-N 2.88Å; A61-Q65 PolarHBondContact O-N 2.03Å
62	Q	94.4	Very high	90.3	Very high	176 Å²	176	74.9 Å²	74.9	82%	0.822	40%	0.404	S	S	*	.	G	3₁₀ helix	trans	-51.8	-35.4	-175.4	-169.6	179.9	16.4	0	0	113.4	F64 Q65	Q62-F64 PolarHBondContact O-N 3.26Å; Q62-Q65 PolarHBondContact O-N 3.47Å
63	K	92.3	Very high	90.7	Very high	112 Å²	112	75 Å²	75	49%	0.487	40%	0.404	S	S	.	.	G	3₁₀ helix	trans	-60.2	-26.6	177.9	-177.3	176.5	179.3	179.5	0	113.8	E46 A61	E46-K63 IonicContact OE1-NZ 3.36Å; E46-K63 PolarHBondContact OE1-NZ 3.31Å; E46-K63 IonicContact OE2-NZ 3.03Å; E46-K63 PolarHBondContact OE2-NZ 2.95Å; A61-K63 PolarHBondContact O-N 3.03Å
64	F	93.1	Very high	91.2	Very high	2 Å²	2	74.1 Å²	74.1	1%	0.009	40%	0.397	C	S	.	.	G	3₁₀ helix	trans	-112.5	-5.8	-172.8	-59	-69.1	0	0	0	114.1	R38 M48 A61 Q62 G66 R67 I68	R38-F64 HydrophobicContact CG-CZ 4.33Å; R38-F64 VanDerWaalsContact NE-CZ 3.33Å; M48-F64 HydrophobicContact CB-CD2 3.97Å; M48-F64 HydrophobicContact CB-CE2 4.1Å; M48-F64 HydrophobicContact CB-CG 4.5Å; M48-F64 HydrophobicContact CE-CD1 3.84Å; M48-F64 HydrophobicContact CE-CE1 3.76Å; M48-F64 HydrophobicContact CE-CE2 4.49Å; M48-F64 HydrophobicContact CE-CG 4.26Å; M48-F64 HydrophobicContact CE-CZ 4.11Å; M48-F64 HydrophobicContact CG-CD2 4.16Å; M48-F64 HydrophobicContact CG-CE2 3.81Å; M48-F64 HydrophobicContact CG-CZ 4.07Å; A61-F64 HydrophobicContact CB-CD2 3.87Å; A61-F64 HydrophobicContact CB-CE2 4.41Å; A61-F64 PolarHBondContact O-N 2.88Å; Q62-F64 PolarHBondContact O-N 3.26Å; F64-G66 PolarHBondContact O-N 3.29Å; F64-R67 PolarHBondContact O-N 2.99Å; F64-I68 HydrophobicContact CB-CD1 3.33Å; F64-I68 HydrophobicContact CB-CG1 3.87Å; F64-I68 HydrophobicContact CD1-CD1 3.81Å; F64-I68 HydrophobicContact CD2-CD1 4.42Å; F64-I68 HydrophobicContact CG-CD1 3.61Å; F64-I68 PolarHBondContact O-N 2.93Å
65	Q	91.8	Very high	91.8	Very high	133 Å²	133	70 Å²	70	62%	0.621	39%	0.389	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.7	133.7	-178.3	-164.8	170	3.6	0	0	110.8	A61 Q62 R67	A61-Q65 PolarHBondContact O-N 2.03Å; Q62-Q65 PolarHBondContact O-N 3.47Å; Q65-R67 VanDerWaalsContact C-N 3.27Å; Q65-R67 PolarHBondContact O-N 3.11Å
66	G	93.7	Very high	92.1	Very high	75 Å²	75	72.1 Å²	72.1	77%	0.773	39%	0.388	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.5	-0.5	-178.1	0	0	0	0	0	115.6	F64	F64-G66 PolarHBondContact O-N 3.29Å
67	R	96.1	Very high	92.6	Very high	25 Å²	25	71.9 Å²	71.9	9%	0.094	38%	0.376	C	S	.	.	T	Hydrogen-bonded Turn	trans	-117.4	-23.3	172.8	-57.9	-160.7	-60.8	143.5	1.6	114	F64 Q65 L83 S84 S85 D90	F64-R67 PolarHBondContact O-N 2.99Å; Q65-R67 VanDerWaalsContact C-N 3.27Å; Q65-R67 PolarHBondContact O-N 3.11Å; R67-L83 HydrophobicContact CB-CD1 3.89Å; R67-S84 PolarHBondContact O-N 3.04Å; R67-S84 PolarHBondContact O-OG 2.87Å; R67-S85 PolarHBondContact NH1-O 3.05Å; R67-D90 IonicContact CZ-OD1 2.83Å; R67-D90 IonicContact CZ-OD2 2.99Å; R67-D90 IonicContact NH1-OD1 3.55Å; R67-D90 IonicContact NH1-OD2 2.76Å; R67-D90 PolarHBondContact NH1-OD2 2.84Å; R67-D90 IonicContact NH2-OD1 3.68Å; R67-D90 PolarHBondContact NH2-OD1 2.94Å; R67-D90 IonicContact NH2-OD2 2.95Å
68	I	96.3	Very high	92.9	Very high	7 Å²	7	66.1 Å²	66.1	4%	0.036	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	140.4	179.7	-62	-177.8	0	0	0	111.1	M48 Y60 F64 M70 M81 E82 L83	M48-I68 HydrophobicContact CB-CD1 4.04Å; M48-I68 HydrophobicContact CE-CD1 3.19Å; M48-I68 HydrophobicContact CE-CG1 4.39Å; M48-I68 HydrophobicContact SD-CD1 4.46Å; Y60-I68 HydrophobicContact CD1-CB 4.33Å; Y60-I68 HydrophobicContact CD1-CG2 4.43Å; Y60-I68 HydrophobicContact CE1-CB 4.32Å; Y60-I68 HydrophobicContact CE1-CG2 4.18Å; Y60-I68 WeakPolarHBondContact CE1-O 3.16Å; F64-I68 HydrophobicContact CB-CD1 3.33Å; F64-I68 HydrophobicContact CB-CG1 3.87Å; F64-I68 HydrophobicContact CD1-CD1 3.81Å; F64-I68 HydrophobicContact CD2-CD1 4.42Å; F64-I68 HydrophobicContact CG-CD1 3.61Å; F64-I68 PolarHBondContact O-N 2.93Å; I68-M70 HydrophobicContact CG2-CE 3.71Å; I68-M70 HydrophobicContact CG2-CG 3.86Å; I68-M81 HydrophobicContact CD1-SD 4.46Å; I68-M81 HydrophobicContact CG1-SD 4.49Å; I68-M81 HydrophobicContact CG2-CG 3.69Å; I68-M81 HydrophobicContact CG2-SD 4.06Å; I68-E82 CarbonylContact C-O 3.58Å; I68-E82 VanDerWaalsContact CA-O 3.28Å; I68-E82 WeakPolarHBondContact CA-O 3.19Å; I68-L83 HydrophobicContact CD1-CD1 4.31Å; I68-L83 HydrophobicContact CG1-CB 4.48Å; I68-L83 HydrophobicContact CG1-CD1 3.57Å
69	I	96.2	Very high	93	Very high	95 Å²	95	64.3 Å²	64.3	49%	0.487	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	128.7	166	-60.6	174.3	0	0	0	107.6	T71 E82	I69-T71 HydrophobicContact CG2-CG2 4.18Å; I69-E82 HydrophobicContact CB-CB 4.5Å; I69-E82 PolarHBondContact N-O 2.87Å; I69-E82 PolarHBondContact O-N 3.25Å
70	M	95.4	Very high	93.2	Very high	7 Å²	7	63 Å²	63	3%	0.034	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	136.5	174.2	-57.8	179.3	-179.5	0	0	109.5	W36 M48 G49 F51 T58 Y60 I68 Y80 M81	W36-M70 HydrophobicContact CB-CE 3.81Å; W36-M70 VanDerWaalsContact CD1-SD 3.53Å; W36-M70 HydrophobicContact CG-CE 4.06Å; W36-M70 HydrophobicContact CG-SD 4.35Å; M48-M70 HydrophobicContact CB-CE 4.26Å; G49-M70 VanDerWaalsContact CA-CE 3.46Å; F51-M70 HydrophobicContact CE2-CB 4.13Å; F51-M70 HydrophobicContact CZ-CB 3.8Å; T58-M70 HydrophobicContact CG2-CB 3.96Å; T58-M70 HydrophobicContact CG2-CG 4.39Å; T58-M70 HydrophobicContact CG2-SD 4.25Å; Y60-M70 HydrophobicContact CE1-CG 4.3Å; I68-M70 HydrophobicContact CG2-CE 3.71Å; I68-M70 HydrophobicContact CG2-CG 3.86Å; M70-Y80 WeakPolarHBondContact CA-O 2.94Å; M70-M81 HydrophobicContact CE-CG 4.32Å; M70-M81 HydrophobicContact CG-CG 4.37Å
71	T	93.6	Very high	93.3	Very high	64 Å²	64	59.6 Å²	59.6	39%	0.393	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	152.5	179.3	51	0	0	0	0	111.1	I69 A79 Y80	I69-T71 HydrophobicContact CG2-CG2 4.18Å; T71-A79 CarbonylContact O-C 3.56Å; T71-A79 WeakPolarHBondContact O-CA 3.49Å; T71-Y80 PolarHBondContact N-O 3.01Å; T71-Y80 PolarHBondContact O-N 2.9Å
72	E	90.9	Very high	93.5	Very high	66 Å²	66	62.2 Å²	62.2	31%	0.308	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	134.4	176.4	-68.5	-173.9	156.5	0	0	110.6	L29 M34 F51 A79	L29-E72 HydrophobicContact CD2-CB 3.81Å; L29-E72 HydrophobicContact CD2-CG 3.95Å; M34-E72 WeakPolarHBondContact CB-OE1 3.29Å; F51-E72 HydrophobicContact CD2-CG 4.09Å; F51-E72 WeakPolarHBondContact CD2-OE1 3.47Å; F51-E72 HydrophobicContact CE1-CG 4.45Å; F51-E72 HydrophobicContact CE2-CG 3.49Å; F51-E72 VanDerWaalsContact CE2-CG 3.49Å; F51-E72 WeakPolarHBondContact CE2-OE1 3.27Å; F51-E72 HydrophobicContact CZ-CG 3.7Å; E72-A79 HydrophobicContact CG-CB 4.12Å
73	D	90.9	Very high	93.6	Very high	45 Å²	45	53.9 Å²	53.9	24%	0.241	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	91.8	171.2	-177.6	-8	0	0	0	108.6	S75 R76 D77 T78 Y80	D73-S75 PolarHBondContact O-N 3.28Å; D73-S75 WeakPolarHBondContact OD1-CB 3.26Å; D73-S75 PolarHBondContact OD1-N 3.32Å; D73-S75 VanDerWaalsContact OD1-N 3.09Å; D73-S75 PolarHBondContact OD1-OG 2.9Å; D73-R76 CarbonylContact O-C 3.53Å; D73-R76 PolarHBondContact O-N 3.17Å; D73-R76 VanDerWaalsContact O-N 3.1Å; D73-R76 PolarHBondContact OD1-N 3.02Å; D73-R76 WeakPolarHBondContact OD2-CD 3.12Å; D73-R76 VanDerWaalsContact OD2-CG 3.27Å; D73-R76 WeakPolarHBondContact OD2-CG 3.43Å; D73-D77 PolarHBondContact O-N 3.11Å; D73-T78 PolarHBondContact N-O 2.85Å; D73-T78 PolarHBondContact O-N 2.85Å; D73-Y80 HydrophobicContact CB-CE2 3.95Å
74	T	87.2	Confident	93.9	Very high	76 Å²	76	50 Å²	50	47%	0.466	27%	0.274	S	S	.	.	G	3₁₀ helix	trans	-65.3	-22.9	-179.5	55.1	0	0	0	0	112.7	T30 R76	T30-T74 HydrophobicContact CG2-CG2 3.68Å; T74-R76 PolarHBondContact O-N 2.95Å
75	S	89	Confident	94.1	Very high	98 Å²	98	53.2 Å²	53.2	69%	0.685	30%	0.297	S	S	*	.	G	3₁₀ helix	trans	-71.2	-18.2	175.3	79.1	0	0	0	0	113	D73	D73-S75 PolarHBondContact O-N 3.28Å; D73-S75 WeakPolarHBondContact OD1-CB 3.26Å; D73-S75 PolarHBondContact OD1-N 3.32Å; D73-S75 VanDerWaalsContact OD1-N 3.09Å; D73-S75 PolarHBondContact OD1-OG 2.9Å
76	R	90.3	Very high	94.3	Very high	157 Å²	157	47 Å²	47	59%	0.592	27%	0.268	S	S	*	.	G	3₁₀ helix	trans	-120.2	4.4	-179.3	-57.1	-176.5	110.4	82.5	-1.3	112.9	D73 T74 T78	D73-R76 CarbonylContact O-C 3.53Å; D73-R76 PolarHBondContact O-N 3.17Å; D73-R76 VanDerWaalsContact O-N 3.1Å; D73-R76 PolarHBondContact OD1-N 3.02Å; D73-R76 WeakPolarHBondContact OD2-CD 3.12Å; D73-R76 VanDerWaalsContact OD2-CG 3.27Å; D73-R76 WeakPolarHBondContact OD2-CG 3.43Å; T74-R76 PolarHBondContact O-N 2.95Å; R76-T78 PolarHBondContact O-N 3.41Å; R76-T78 VanDerWaalsContact O-N 3.15Å; R76-T78 PolarHBondContact O-OG1 3.3Å
77	D	91.1	Very high	94.5	Very high	39 Å²	39	49.4 Å²	49.4	21%	0.209	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	46.4	40.7	-171.3	-60.3	-59.8	0	0	0	112.3	R23 V24 T28 L29 D73	R23-D77 CarbonylContact C-O 3.6Å; R23-D77 WeakPolarHBondContact CA-O 3.12Å; V24-D77 HydrophobicContact CB-CB 4.39Å; V24-D77 PolarHBondContact N-O 2.06Å; T28-D77 WeakPolarHBondContact CA-OD1 3.33Å; L29-D77 HydrophobicContact CB-CB 4.3Å; L29-D77 PolarHBondContact N-OD1 2.84Å; D73-D77 PolarHBondContact O-N 3.11Å
78	T	94	Very high	94.5	Very high	11 Å²	11	52.6 Å²	52.6	7%	0.067	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	123.4	-173.1	-55	0	0	0	0	111.2	C22 R23 D73 R76 Y80	C22-T78 CarbonylContact O-C 3.57Å; C22-T78 WeakPolarHBondContact O-CA 3.33Å; R23-T78 HydrophobicContact CB-CG2 4.42Å; D73-T78 PolarHBondContact N-O 2.85Å; D73-T78 PolarHBondContact O-N 2.85Å; R76-T78 PolarHBondContact O-N 3.41Å; R76-T78 VanDerWaalsContact O-N 3.15Å; R76-T78 PolarHBondContact O-OG1 3.3Å; T78-Y80 HydrophobicContact CG2-CD1 4.34Å; T78-Y80 HydrophobicContact CG2-CD2 4.48Å; T78-Y80 HydrophobicContact CG2-CE1 3.7Å; T78-Y80 HydrophobicContact CG2-CE2 3.84Å; T78-Y80 VanDerWaalsContact CG2-CZ 3.4Å; T78-Y80 WeakPolarHBondContact CG2-OH 3.38Å
79	A	94.6	Very high	94.4	Very high	0 Å²	0	57.2 Å²	57.2	0%	0	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	152.3	169.1	0	0	0	0	0	110.8	S21 C22 L29 M34 W36 T71 E72	S21-A79 CarbonylContact C-O 3.48Å; S21-A79 WeakPolarHBondContact CA-O 3.4Å; C22-A79 PolarHBondContact N-O 2.91Å; C22-A79 PolarHBondContact O-N 2.99Å; L29-A79 HydrophobicContact CD2-CB 4.44Å; M34-A79 HydrophobicContact CB-CB 3.86Å; M34-A79 HydrophobicContact CE-CB 4.05Å; M34-A79 HydrophobicContact CG-CB 3.63Å; W36-A79 HydrophobicContact CZ2-CB 4.38Å; T71-A79 CarbonylContact O-C 3.56Å; T71-A79 WeakPolarHBondContact O-CA 3.49Å; E72-A79 HydrophobicContact CG-CB 4.12Å
80	Y	96.4	Very high	94.5	Very high	47 Å²	47	52.7 Å²	52.7	18%	0.184	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	142.8	178.7	-54.1	-87.7	0	0	0	111.1	K19 V20 M70 T71 D73 T78	K19-Y80 HydrophobicContact CD-CD1 4.36Å; K19-Y80 VanDerWaalsContact CE-CG 3.42Å; K19-Y80 HydrophobicContact CG-CD1 4.34Å; V20-Y80 VanDerWaalsContact O-CA 3.31Å; V20-Y80 WeakPolarHBondContact O-CA 3.36Å; M70-Y80 WeakPolarHBondContact CA-O 2.94Å; T71-Y80 PolarHBondContact N-O 3.01Å; T71-Y80 PolarHBondContact O-N 2.9Å; D73-Y80 HydrophobicContact CB-CE2 3.95Å; T78-Y80 HydrophobicContact CG2-CD1 4.34Å; T78-Y80 HydrophobicContact CG2-CD2 4.48Å; T78-Y80 HydrophobicContact CG2-CE1 3.7Å; T78-Y80 HydrophobicContact CG2-CE2 3.84Å; T78-Y80 VanDerWaalsContact CG2-CZ 3.4Å; T78-Y80 WeakPolarHBondContact CG2-OH 3.38Å
81	M	97.4	Very high	94.6	Very high	0 Å²	0	53.9 Å²	53.9	0%	0	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	119	167.6	-178.8	-77	-59	0	0	108.4	K19 V20 W36 I68 M70 L83 Y94	K19-M81 CarbonylContact C-O 3.56Å; K19-M81 WeakPolarHBondContact CA-O 3.45Å; V20-M81 HydrophobicContact CB-CE 4.11Å; V20-M81 HydrophobicContact CG2-CE 3.81Å; V20-M81 PolarHBondContact N-O 2.8Å; V20-M81 PolarHBondContact O-N 2.86Å; W36-M81 HydrophobicContact CD2-CB 3.47Å; W36-M81 VanDerWaalsContact CD2-CB 3.47Å; W36-M81 HydrophobicContact CD2-CG 4.1Å; W36-M81 VanDerWaalsContact CE2-CB 3.43Å; W36-M81 HydrophobicContact CE3-CB 3.85Å; W36-M81 HydrophobicContact CE3-CG 4.46Å; W36-M81 HydrophobicContact CG-CB 3.92Å; W36-M81 HydrophobicContact CG-CG 4.11Å; W36-M81 HydrophobicContact CH2-CB 4.07Å; W36-M81 HydrophobicContact CZ2-CB 3.74Å; W36-M81 HydrophobicContact CZ3-CB 4.13Å; I68-M81 HydrophobicContact CD1-SD 4.46Å; I68-M81 HydrophobicContact CG1-SD 4.49Å; I68-M81 HydrophobicContact CG2-CG 3.69Å; I68-M81 HydrophobicContact CG2-SD 4.06Å; M70-M81 HydrophobicContact CE-CG 4.32Å; M70-M81 HydrophobicContact CG-CG 4.37Å; M81-L83 HydrophobicContact SD-CB 3.8Å; M81-Y94 HydrophobicContact CE-CD1 3.44Å; M81-Y94 VanDerWaalsContact CE-CD1 3.44Å; M81-Y94 HydrophobicContact CE-CE1 3.9Å; M81-Y94 HydrophobicContact CE-CG 4.21Å
82	E	98.1	Very high	94.8	Very high	72 Å²	72	50.9 Å²	50.9	34%	0.336	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	121.8	172.7	-171.2	175.3	150.6	0	0	109.3	V18 K19 I68 I69	V18-E82 CarbonylContact O-C 3.55Å; V18-E82 VanDerWaalsContact O-CA 3.27Å; V18-E82 WeakPolarHBondContact O-CA 3.2Å; K19-E82 HydrophobicContact CB-CG 4.47Å; I68-E82 CarbonylContact C-O 3.58Å; I68-E82 VanDerWaalsContact CA-O 3.28Å; I68-E82 WeakPolarHBondContact CA-O 3.19Å; I69-E82 HydrophobicContact CB-CB 4.5Å; I69-E82 PolarHBondContact N-O 2.87Å; I69-E82 PolarHBondContact O-N 3.25Å
83	L	97.8	Very high	95.2	Very high	0 Å²	0	49.5 Å²	49.5	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	118.4	173.7	175.8	64.1	0	0	0	108.8	S17 V18 R67 I68 M81 L86 D90 Y94	S17-L83 CarbonylContact C-O 3.59Å; S17-L83 VanDerWaalsContact CA-O 3.26Å; S17-L83 WeakPolarHBondContact CA-O 3.46Å; V18-L83 HydrophobicContact CG1-CB 4.07Å; V18-L83 PolarHBondContact N-O 3.37Å; V18-L83 PolarHBondContact O-N 2.92Å; R67-L83 HydrophobicContact CB-CD1 3.89Å; I68-L83 HydrophobicContact CD1-CD1 4.31Å; I68-L83 HydrophobicContact CG1-CB 4.48Å; I68-L83 HydrophobicContact CG1-CD1 3.57Å; M81-L83 HydrophobicContact SD-CB 3.8Å; L83-L86 HydrophobicContact CB-CD2 4.46Å; L83-L86 HydrophobicContact CD2-CD2 3.61Å; L83-L86 HydrophobicContact CG-CD2 3.83Å; L83-D90 HydrophobicContact CD2-CB 3.99Å; L83-Y94 HydrophobicContact CD2-CE1 4.15Å; L83-Y94 WeakPolarHBondContact CD2-OH 3.36Å
84	S	97.8	Very high	95.6	Very high	32 Å²	32	47.3 Å²	47.3	22%	0.224	25%	0.251	C	S	.	.			trans	-99.3	163.7	-179.4	65.6	0	0	0	0	112.6	S17 R67 L86	S17-S84 WeakPolarHBondContact OG-CA 3.49Å; S17-S84 WeakPolarHBondContact OG-CB 3.46Å; R67-S84 PolarHBondContact O-N 3.04Å; R67-S84 PolarHBondContact O-OG 2.87Å; S84-L86 VanDerWaalsContact C-N 3.34Å; S84-L86 PolarHBondContact O-N 3.39Å
85	S	96.8	Very high	96.1	Very high	68 Å²	68	45.8 Å²	45.8	48%	0.476	24%	0.237	S	C	.	.	S	Bend	trans	53.6	51.3	177.7	-56.4	0	0	0	0	111.9	A16 R67	A16-S85 PolarHBondContact O-N 2.89Å; R67-S85 PolarHBondContact NH1-O 3.05Å
86	L	97.4	Very high	96.4	Very high	3 Å²	3	41.1 Å²	41.1	2%	0.016	21%	0.205	C	C	.	.			trans	-56.8	138.3	-175.5	-76.6	171	0	0	0	112.1	Q12 P14 G15 A16 V18 L83 S84 D90 V119	Q12-L86 HydrophobicContact CB-CD1 3.64Å; Q12-L86 HydrophobicContact CG-CD1 4.06Å; P14-L86 CarbonylContact C-O 3.53Å; P14-L86 WeakPolarHBondContact CA-O 3.39Å; G15-L86 PolarHBondContact N-O 3.22Å; A16-L86 WeakPolarHBondContact O-CB 3.01Å; A16-L86 VanDerWaalsContact O-CG 3.29Å; A16-L86 WeakPolarHBondContact O-CG 3.31Å; A16-L86 PolarHBondContact O-N 3.47Å; V18-L86 HydrophobicContact CB-CD1 4.01Å; V18-L86 HydrophobicContact CG1-CD1 4.04Å; V18-L86 HydrophobicContact CG1-CD2 3.99Å; V18-L86 HydrophobicContact CG1-CG 4.45Å; L83-L86 HydrophobicContact CB-CD2 4.46Å; L83-L86 HydrophobicContact CD2-CD2 3.61Å; L83-L86 HydrophobicContact CG-CD2 3.83Å; S84-L86 VanDerWaalsContact C-N 3.34Å; S84-L86 PolarHBondContact O-N 3.39Å; L86-D90 HydrophobicContact CD2-CB 3.9Å; L86-V119 HydrophobicContact CB-CG1 4.2Å; L86-V119 HydrophobicContact CB-CG2 4.06Å; L86-V119 HydrophobicContact CD1-CG2 4.3Å; L86-V119 HydrophobicContact CD2-CG2 4.11Å; L86-V119 HydrophobicContact CG-CG2 4.4Å
87	R	96.4	Very high	96.6	Very high	126 Å²	126	34 Å²	34	48%	0.475	18%	0.179	S	C	.	.			trans	-119	161.9	176.4	-59.1	170.2	-175	178.3	0.3	109.6	E89 D90 V119	R87-E89 HydrophobicContact CB-CG 3.67Å; R87-E89 WeakPolarHBondContact CD-OE1 3.44Å; R87-E89 IonicContact CZ-OE1 3.97Å; R87-E89 IonicContact NE-OE1 2.98Å; R87-E89 IonicContact NH1-OE1 3.8Å; R87-E89 PolarHBondContact NH1-OE1 2.82Å; R87-E89 PolarHBondContact O-N 3.01Å; R87-D90 WeakPolarHBondContact CB-OD2 3.45Å; R87-D90 PolarHBondContact N-OD2 3Å; R87-D90 WeakPolarHBondContact O-CB 3.41Å; R87-D90 PolarHBondContact O-N 2.84Å; R87-V119 WeakPolarHBondContact O-CB 3.4Å; R87-V119 WeakPolarHBondContact O-CG1 3.34Å; R87-V119 WeakPolarHBondContact O-CG2 3.48Å
88	S	96.1	Very high	96.4	Very high	91 Å²	91	32.2 Å²	32.2	64%	0.636	17%	0.169	S	C	*	.	G	3₁₀ helix	trans	-55.1	-36.5	176	51.9	0	0	0	0	112.5	D90 T91	S88-D90 PolarHBondContact O-N 2.87Å; S88-T91 WeakPolarHBondContact O-CB 3.18Å; S88-T91 PolarHBondContact O-N 2.81Å; S88-T91 VanDerWaalsContact O-N 3.15Å; S88-T91 PolarHBondContact O-OG1 2.95Å; S88-T91 VanDerWaalsContact O-OG1 3.12Å
89	E	95.5	Very high	95.7	Very high	105 Å²	105	34.1 Å²	34.1	49%	0.491	18%	0.179	S	C	.	.	G	3₁₀ helix	trans	-65.5	-10.8	175	64.6	-172.4	-159.9	0	0	114.9	R87 T91	R87-E89 HydrophobicContact CB-CG 3.67Å; R87-E89 WeakPolarHBondContact CD-OE1 3.44Å; R87-E89 IonicContact CZ-OE1 3.97Å; R87-E89 IonicContact NE-OE1 2.98Å; R87-E89 IonicContact NH1-OE1 3.8Å; R87-E89 PolarHBondContact NH1-OE1 2.82Å; R87-E89 PolarHBondContact O-N 3.01Å; E89-T91 VanDerWaalsContact C-N 3.31Å
90	D	97.3	Very high	94.3	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	18%	0.184	C	C	.	.	G	3₁₀ helix	trans	-89.2	2.2	174.9	-60	-45.8	0	0	0	112.4	R38 R67 L83 L86 R87 S88 A92 Y94 V119	R38-D90 IonicContact CZ-OD1 2.86Å; R38-D90 IonicContact NH1-OD1 3.61Å; R38-D90 PolarHBondContact NH1-OD1 2.85Å; R67-D90 IonicContact CZ-OD1 2.83Å; R67-D90 IonicContact CZ-OD2 2.99Å; R67-D90 IonicContact NH1-OD1 3.55Å; R67-D90 IonicContact NH1-OD2 2.76Å; R67-D90 PolarHBondContact NH1-OD2 2.84Å; R67-D90 IonicContact NH2-OD1 3.68Å; R67-D90 PolarHBondContact NH2-OD1 2.94Å; R67-D90 IonicContact NH2-OD2 2.95Å; L83-D90 HydrophobicContact CD2-CB 3.99Å; L86-D90 HydrophobicContact CD2-CB 3.9Å; R87-D90 WeakPolarHBondContact CB-OD2 3.45Å; R87-D90 PolarHBondContact N-OD2 3Å; R87-D90 WeakPolarHBondContact O-CB 3.41Å; R87-D90 PolarHBondContact O-N 2.84Å; S88-D90 PolarHBondContact O-N 2.87Å; D90-A92 PolarHBondContact O-N 2.84Å; D90-A92 VanDerWaalsContact O-N 3.15Å; D90-Y94 WeakPolarHBondContact O-CE2 3.36Å; D90-Y94 PolarHBondContact O-OH 2.73Å; D90-V119 HydrophobicContact CB-CG2 4.39Å
91	T	98.4	Very high	92.6	Very high	32 Å²	32	36.8 Å²	36.8	20%	0.196	20%	0.196	C	C	.	.			trans	-65.8	111.8	168.9	-62.5	0	0	0	0	110.1	P41 S88 E89 V117 T118 V119	P41-T91 WeakPolarHBondContact CD-O 3.3Å; S88-T91 WeakPolarHBondContact O-CB 3.18Å; S88-T91 PolarHBondContact O-N 2.81Å; S88-T91 VanDerWaalsContact O-N 3.15Å; S88-T91 PolarHBondContact O-OG1 2.95Å; S88-T91 VanDerWaalsContact O-OG1 3.12Å; E89-T91 VanDerWaalsContact C-N 3.31Å; T91-V117 WeakPolarHBondContact CA-O 3.02Å; T91-T118 HydrophobicContact CG2-CG2 4.5Å; T91-V119 PolarHBondContact OG1-N 3.3Å
92	A	98.5	Very high	91.1	Very high	1 Å²	1	40.4 Å²	40.4	1%	0.008	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-163.2	166	-175.2	0	0	0	0	0	110.9	R38 Q39 A40 D90 Y94 V117	R38-A92 HydrophobicContact CB-CB 4.07Å; R38-A92 HydrophobicContact CG-CB 4.49Å; Q39-A92 WeakPolarHBondContact O-CA 3.46Å; Q39-A92 WeakPolarHBondContact O-CB 3.28Å; A40-A92 HydrophobicContact CB-CB 4.35Å; D90-A92 PolarHBondContact O-N 2.84Å; D90-A92 VanDerWaalsContact O-N 3.15Å; A92-Y94 HydrophobicContact CB-CD2 4.3Å; A92-Y94 HydrophobicContact CB-CE2 3.75Å; A92-Y94 WeakPolarHBondContact O-CD2 3.49Å; A92-Y94 WeakPolarHBondContact O-CE2 3.33Å; A92-V117 PolarHBondContact N-O 3.1Å; A92-V117 VanDerWaalsContact N-O 3.16Å; A92-V117 PolarHBondContact O-N 3.03Å
93	V	98.7	Very high	89.2	Confident	36 Å²	36	40.4 Å²	40.4	22%	0.218	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	127.6	160.1	-171.5	0	0	0	0	108.1	R38 Q39 Y95 T115 L116	R38-V93 CarbonylContact C-O 3.43Å; R38-V93 VanDerWaalsContact CA-O 3.26Å; R38-V93 WeakPolarHBondContact CA-O 3.39Å; Q39-V93 PolarHBondContact N-O 2.78Å; Q39-V93 PolarHBondContact O-N 3.4Å; V93-Y95 HydrophobicContact CB-CE2 3.83Å; V93-Y95 HydrophobicContact CG1-CD1 4.33Å; V93-Y95 HydrophobicContact CG1-CD2 4.37Å; V93-Y95 HydrophobicContact CG1-CE1 3.66Å; V93-Y95 HydrophobicContact CG1-CE2 3.72Å; V93-Y95 WeakPolarHBondContact CG1-OH 3.49Å; V93-T115 WeakPolarHBondContact CA-O 3.36Å; V93-L116 HydrophobicContact CG2-CD1 4.17Å
94	Y	98.5	Very high	87.7	Confident	0 Å²	0	43.9 Å²	43.9	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	127.4	179.5	-68.3	-102.5	0	0	0	108.6	Q6 V37 R38 M48 M81 L83 D90 A92 G114 T115 V117	Q6-Y94 PolarHBondContact NE2-O 2.81Å; V37-Y94 CarbonylContact O-C 3.58Å; R38-Y94 HydrophobicContact CB-CD1 3.95Å; R38-Y94 HydrophobicContact CB-CE1 4.02Å; R38-Y94 HydrophobicContact CB-CG 4.36Å; M48-Y94 HydrophobicContact CE-CD1 4.05Å; M48-Y94 HydrophobicContact CE-CE1 3.55Å; M48-Y94 HydrophobicContact SD-CD1 3.65Å; M48-Y94 HydrophobicContact SD-CE1 3.75Å; M81-Y94 HydrophobicContact CE-CD1 3.44Å; M81-Y94 VanDerWaalsContact CE-CD1 3.44Å; M81-Y94 HydrophobicContact CE-CE1 3.9Å; M81-Y94 HydrophobicContact CE-CG 4.21Å; L83-Y94 HydrophobicContact CD2-CE1 4.15Å; L83-Y94 WeakPolarHBondContact CD2-OH 3.36Å; D90-Y94 WeakPolarHBondContact O-CE2 3.36Å; D90-Y94 PolarHBondContact O-OH 2.73Å; A92-Y94 HydrophobicContact CB-CD2 4.3Å; A92-Y94 HydrophobicContact CB-CE2 3.75Å; A92-Y94 WeakPolarHBondContact O-CD2 3.49Å; A92-Y94 WeakPolarHBondContact O-CE2 3.33Å; Y94-G114 CarbonylContact O-C 3.55Å; Y94-G114 WeakPolarHBondContact O-CA 3.29Å; Y94-T115 PolarHBondContact N-O 3.32Å; Y94-T115 PolarHBondContact O-N 2.99Å; Y94-V117 HydrophobicContact CD2-CB 3.94Å; Y94-V117 HydrophobicContact CD2-CG2 3.67Å; Y94-V117 HydrophobicContact CE2-CB 3.67Å; Y94-V117 HydrophobicContact CE2-CG2 3.85Å
95	Y	98.1	Very high	86	Confident	43 Å²	43	50.6 Å²	50.6	17%	0.169	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	138.3	-178.9	-56.5	-84	0	0	0	109.4	W36 V37 Q39 L45 V93 W111 G114	W36-Y95 WeakPolarHBondContact CA-O 3.38Å; V37-Y95 PolarHBondContact N-O 2.9Å; V37-Y95 PolarHBondContact O-N 3.22Å; Q39-Y95 HydrophobicContact CB-CE2 3.85Å; Q39-Y95 PolarHBondContact OE1-OH 2.93Å; L45-Y95 HydrophobicContact CD2-CD2 4.48Å; L45-Y95 HydrophobicContact CD2-CE2 4.39Å; V93-Y95 HydrophobicContact CB-CE2 3.83Å; V93-Y95 HydrophobicContact CG1-CD1 4.33Å; V93-Y95 HydrophobicContact CG1-CD2 4.37Å; V93-Y95 HydrophobicContact CG1-CE1 3.66Å; V93-Y95 HydrophobicContact CG1-CE2 3.72Å; V93-Y95 WeakPolarHBondContact CG1-OH 3.49Å; Y95-W111 HydrophobicContact CG-CE3 4.17Å; Y95-W111 HydrophobicContact CG-CZ3 4.3Å; Y95-G114 VanDerWaalsContact CD1-CA 3.45Å
96	C	95.7	Very high	84.2	Confident	0 Å²	0	51.4 Å²	51.4	0%	0	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	146.3	159	60.7	0	0	0	0	109.3	Q6 C22 M34 R35 W36 G112	Q6-C96 VanDerWaalsContact CD-SG 3.59Å; Q6-C96 WeakPolarHBondContact CG-SG 3.22Å; C22-C96 HydrophobicContact CB-CB 3.42Å; C22-C96 VanDerWaalsContact CB-CB 3.42Å; C22-C96 WeakPolarHBondContact CB-SG 3.45Å; C22-C96 WeakPolarHBondContact SG-CB 3.47Å; C22-C96 CovalentContact SG-SG 2.03Å; C22-C96 PolarHBondContact SG-SG 2.81Å; M34-C96 HydrophobicContact CG-CB 4.31Å; M34-C96 HydrophobicContact SD-CB 3.66Å; R35-C96 CarbonylContact O-C 3.57Å; R35-C96 WeakPolarHBondContact O-CA 3.44Å; W36-C96 HydrophobicContact CD2-CB 4.43Å; W36-C96 HydrophobicContact CE3-CB 4.12Å; W36-C96 HydrophobicContact CH2-CB 4.05Å; W36-C96 HydrophobicContact CZ2-CB 4.33Å; W36-C96 HydrophobicContact CZ3-CB 3.92Å; C96-G112 PolarHBondContact O-N 3.44Å
97	T	93.6	Very high	82.9	Confident	9 Å²	9	54.2 Å²	54.2	6%	0.055	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.7	152.4	176.7	-173.7	0	0	0	0	110.8	R35 V37 Y110 W111	R35-T97 HydrophobicContact CB-CG2 3.83Å; R35-T97 PolarHBondContact N-O 2.85Å; R35-T97 PolarHBondContact O-N 3.45Å; V37-T97 HydrophobicContact CG2-CG2 4.16Å; T97-Y110 WeakPolarHBondContact CA-O 3.39Å; T97-Y110 PolarHBondContact OG1-O 2.98Å; T97-W111 HydrophobicContact CG2-CH2 4.33Å; T97-W111 HydrophobicContact CG2-CZ2 4.36Å
98	T	88.3	Confident	81.8	Confident	1 Å²	1	52.2 Å²	52.2	1%	0.006	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.8	151.5	176	-168.9	0	0	0	0	110.7	L4 L32 S33 L100 Y110	L4-T98 HydrophobicContact CD1-CG2 4.19Å; L4-T98 HydrophobicContact CD2-CG2 4.14Å; L32-T98 HydrophobicContact CD1-CG2 4.03Å; S33-T98 PolarHBondContact O-OG1 2.84Å; T98-L100 HydrophobicContact CG2-CD1 3.51Å; T98-L100 HydrophobicContact CG2-CG 3.87Å; T98-Y110 PolarHBondContact N-O 2.81Å; T98-Y110 VanDerWaalsContact N-O 3.11Å; T98-Y110 PolarHBondContact O-N 2.77Å
99	D	77.6	Confident	81	Confident	51 Å²	51	52.3 Å²	52.3	27%	0.273	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	114.1	177.7	-45.8	-16.8	0	0	0	106.6	R35	R35-D99 IonicContact CZ-OD1 3.96Å; R35-D99 IonicContact CZ-OD2 3.2Å; R35-D99 IonicContact NH1-OD1 2.84Å; R35-D99 PolarHBondContact NH1-OD1 2.82Å; R35-D99 IonicContact NH1-OD2 2.73Å; R35-D99 PolarHBondContact NH1-OD2 2.82Å; R35-D99 IonicContact NH2-OD2 2.81Å; R35-D99 PolarHBondContact NH2-OD2 3.15Å
100	L	66.3	Low	80.6	Confident	20 Å²	20	50.5 Å²	50.5	11%	0.105	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	-13.5	-165.1	-103.7	150.9	0	0	0	113.1	V2 Y27 L32 T98 N108 Y110	V2-L100 HydrophobicContact CB-CD1 4.01Å; V2-L100 HydrophobicContact CG1-CD1 3.29Å; V2-L100 HydrophobicContact CG1-CD2 4.04Å; V2-L100 HydrophobicContact CG1-CG 4.33Å; V2-L100 HydrophobicContact CG2-CD1 4.48Å; V2-L100 HydrophobicContact CG2-CD2 4.21Å; Y27-L100 HydrophobicContact CD1-CD2 3.51Å; Y27-L100 HydrophobicContact CD2-CD2 4.13Å; Y27-L100 HydrophobicContact CE1-CD2 3.82Å; Y27-L100 HydrophobicContact CE2-CD2 4.44Å; Y27-L100 HydrophobicContact CG-CD2 3.65Å; L32-L100 HydrophobicContact CD1-CD1 4.28Å; L32-L100 HydrophobicContact CD1-CD2 3.69Å; L32-L100 HydrophobicContact CD1-CG 3.88Å; L32-L100 HydrophobicContact CD2-CB 4.38Å; L32-L100 HydrophobicContact CD2-CD2 3.46Å; L32-L100 VanDerWaalsContact CD2-CD2 3.46Å; L32-L100 HydrophobicContact CD2-CG 3.54Å; L32-L100 HydrophobicContact CG-CD2 4.14Å; L32-L100 HydrophobicContact CG-CG 4.36Å; T98-L100 HydrophobicContact CG2-CD1 3.51Å; T98-L100 HydrophobicContact CG2-CG 3.87Å; L100-N108 PolarHBondContact N-O 3.43Å; L100-Y110 HydrophobicContact CB-CD2 3.4Å; L100-Y110 VanDerWaalsContact CB-CD2 3.4Å; L100-Y110 HydrophobicContact CB-CE2 3.24Å; L100-Y110 HydrophobicContact CB-CG 4.36Å; L100-Y110 HydrophobicContact CD1-CD1 3.99Å; L100-Y110 HydrophobicContact CD1-CD2 3.33Å; L100-Y110 HydrophobicContact CD1-CE1 4.37Å; L100-Y110 HydrophobicContact CD1-CE2 3.77Å; L100-Y110 HydrophobicContact CD1-CG 3.42Å; L100-Y110 VanDerWaalsContact CD1-CG 3.42Å; L100-Y110 HydrophobicContact CG-CD2 3.97Å; L100-Y110 HydrophobicContact CG-CE2 4.12Å
101	D	61.3	Low	80.5	Confident	82 Å²	82	55.6 Å²	55.6	44%	0.439	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-160.4	93.5	-173.4	-163.9	2.9	0	0	0	109.7	C107 N108	D101-C107 WeakPolarHBondContact O-CA 3.37Å; D101-N108 PolarHBondContact O-N 2.78Å; D101-N108 VanDerWaalsContact O-N 3.11Å
102	C	64.4	Low	80.3	Confident	76 Å²	76	54.3 Å²	54.3	51%	0.514	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	101.2	171.4	-66.5	0	0	0	0	108.4	T106 C107	C102-T106 WeakPolarHBondContact CA-O 3.38Å; C102-C107 HydrophobicContact CB-CB 4.26Å; C102-C107 WeakPolarHBondContact CB-SG 3.37Å; C102-C107 WeakPolarHBondContact SG-CB 3.16Å; C102-C107 CovalentContact SG-SG 2.06Å; C102-C107 PolarHBondContact SG-SG 3Å
103	S	59.3	Low	80.1	Confident	72 Å²	72	59.7 Å²	59.7	50%	0.503	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	95.9	173.1	68.6	0	0	0	0	109.6	D105 T106	S103-D105 PolarHBondContact O-N 3.07Å; S103-T106 PolarHBondContact N-O 3.49Å; S103-T106 PolarHBondContact O-OG1 3.37Å; S103-T106 PolarHBondContact OG-OG1 3.07Å
104	G	66.3	Low	80.1	Confident	73 Å²	73	58.7 Å²	58.7	75%	0.753	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	68.5	-123.7	-173.9	0	0	0	0	0	111.4
105	D	61.6	Low	80.1	Confident	173 Å²	173	58.7 Å²	58.7	93%	0.925	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.7	-0.8	-177.4	-63.4	-37	0	0	0	114.2	S103	S103-D105 PolarHBondContact O-N 3.07Å
106	T	59.5	Low	80.1	Confident	86 Å²	86	60.3 Å²	60.3	53%	0.528	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	115.3	-177.7	57.2	0	0	0	0	111.1	C102 S103	C102-T106 WeakPolarHBondContact CA-O 3.38Å; S103-T106 PolarHBondContact N-O 3.49Å; S103-T106 PolarHBondContact O-OG1 3.37Å; S103-T106 PolarHBondContact OG-OG1 3.07Å
107	C	69.1	Low	80.3	Confident	61 Å²	61	60.3 Å²	60.3	41%	0.412	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	131.4	168.2	-61.6	0	0	0	0	109.3	D101 C102	D101-C107 WeakPolarHBondContact O-CA 3.37Å; C102-C107 HydrophobicContact CB-CB 4.26Å; C102-C107 WeakPolarHBondContact CB-SG 3.37Å; C102-C107 WeakPolarHBondContact SG-CB 3.16Å; C102-C107 CovalentContact SG-SG 2.06Å; C102-C107 PolarHBondContact SG-SG 3Å
108	N	73.4	Confident	80.5	Confident	84 Å²	84	62 Å²	62	45%	0.449	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	116.5	170.9	-70.8	-51.5	0	0	0	109.8	L100 D101 Y110	L100-N108 PolarHBondContact N-O 3.43Å; D101-N108 PolarHBondContact O-N 2.78Å; D101-N108 VanDerWaalsContact O-N 3.11Å; N108-Y110 HydrophobicContact CB-CE2 3.88Å; N108-Y110 VanDerWaalsContact O-CD2 3.3Å; N108-Y110 WeakPolarHBondContact O-CD2 3.21Å; N108-Y110 WeakPolarHBondContact O-CE2 3.45Å
109	D	79.6	Confident	81	Confident	93 Å²	93	62.5 Å²	62.5	50%	0.497	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	124.1	175.2	-59.8	-8.6	0	0	0	109.8
110	Y	88.2	Confident	81.8	Confident	68 Å²	68	62.7 Å²	62.7	27%	0.267	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	128.4	174.7	-68	-105.4	0	0	0	109	V2 L4 T97 T98 L100 N108	V2-Y110 HydrophobicContact CB-CD1 4.08Å; V2-Y110 HydrophobicContact CB-CE1 3.79Å; V2-Y110 HydrophobicContact CG1-CD1 4.44Å; L4-Y110 WeakPolarHBondContact CD1-O 3.36Å; T97-Y110 WeakPolarHBondContact CA-O 3.39Å; T97-Y110 PolarHBondContact OG1-O 2.98Å; T98-Y110 PolarHBondContact N-O 2.81Å; T98-Y110 VanDerWaalsContact N-O 3.11Å; T98-Y110 PolarHBondContact O-N 2.77Å; L100-Y110 HydrophobicContact CB-CD2 3.4Å; L100-Y110 VanDerWaalsContact CB-CD2 3.4Å; L100-Y110 HydrophobicContact CB-CE2 3.24Å; L100-Y110 HydrophobicContact CB-CG 4.36Å; L100-Y110 HydrophobicContact CD1-CD1 3.99Å; L100-Y110 HydrophobicContact CD1-CD2 3.33Å; L100-Y110 HydrophobicContact CD1-CE1 4.37Å; L100-Y110 HydrophobicContact CD1-CE2 3.77Å; L100-Y110 HydrophobicContact CD1-CG 3.42Å; L100-Y110 VanDerWaalsContact CD1-CG 3.42Å; L100-Y110 HydrophobicContact CG-CD2 3.97Å; L100-Y110 HydrophobicContact CG-CE2 4.12Å; N108-Y110 HydrophobicContact CB-CE2 3.88Å; N108-Y110 VanDerWaalsContact O-CD2 3.3Å; N108-Y110 WeakPolarHBondContact O-CD2 3.21Å; N108-Y110 WeakPolarHBondContact O-CE2 3.45Å
111	W	93.2	Very high	82.8	Confident	107 Å²	107	68.9 Å²	68.9	41%	0.405	41%	0.41	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	139.1	-178.2	-70.6	74.9	0	0	0	110.5	V37 L45 Y95 T97	V37-W111 HydrophobicContact CB-CH2 4.19Å; V37-W111 HydrophobicContact CB-CZ3 3.97Å; V37-W111 HydrophobicContact CG1-CH2 4.17Å; V37-W111 HydrophobicContact CG1-CZ3 4.13Å; V37-W111 HydrophobicContact CG2-CH2 3.93Å; V37-W111 HydrophobicContact CG2-CZ3 4.13Å; L45-W111 HydrophobicContact CD1-CH2 3.95Å; L45-W111 HydrophobicContact CD1-CZ3 4.45Å; Y95-W111 HydrophobicContact CG-CE3 4.17Å; Y95-W111 HydrophobicContact CG-CZ3 4.3Å; T97-W111 HydrophobicContact CG2-CH2 4.33Å; T97-W111 HydrophobicContact CG2-CZ2 4.36Å
112	G	94.8	Very high	83.9	Confident	5 Å²	5	68.3 Å²	68.3	5%	0.052	41%	0.408	C	S	.	.			trans	-69.9	162	166.2	0	0	0	0	0	111.4	Q6 C96 G114	Q6-G112 VanDerWaalsContact OE1-C 3.29Å; Q6-G112 VanDerWaalsContact OE1-CA 3.28Å; C96-G112 PolarHBondContact O-N 3.44Å; G112-G114 PolarHBondContact O-N 2.92Å; G112-G114 VanDerWaalsContact O-N 3.15Å
113	Q	95.8	Very high	84.9	Confident	114 Å²	114	67.8 Å²	67.8	53%	0.533	40%	0.403	S	S	.	.			trans	-68.9	-11.2	-178.2	77.6	-74.9	-8	0	0	114	L4 Q6	L4-Q113 PolarHBondContact O-OE1 3.32Å; Q6-Q113 VanDerWaalsContact CA-NE2 3.34Å; Q6-Q113 VanDerWaalsContact CB-NE2 3.31Å; Q6-Q113 PolarHBondContact O-NE2 2.64Å
114	G	97.8	Very high	86.3	Confident	14 Å²	14	67.6 Å²	67.6	14%	0.144	40%	0.397	C	S	.	.			trans	91.1	140.6	-176.7	0	0	0	0	0	113.7	Y94 Y95 G112	Y94-G114 CarbonylContact O-C 3.55Å; Y94-G114 WeakPolarHBondContact O-CA 3.29Å; Y95-G114 VanDerWaalsContact CD1-CA 3.45Å; G112-G114 PolarHBondContact O-N 2.92Å; G112-G114 VanDerWaalsContact O-N 3.15Å
115	T	98.6	Very high	87.5	Confident	1 Å²	1	67.3 Å²	67.3	1%	0.006	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	113.5	171.8	-60.1	0	0	0	0	108.5	Q6 S7 G8 V20 V93 Y94 V117	Q6-T115 WeakPolarHBondContact CB-OG1 3.33Å; Q6-T115 PolarHBondContact NE2-OG1 3.16Å; S7-T115 PolarHBondContact O-OG1 2.98Å; G8-T115 VanDerWaalsContact O-CG2 3.26Å; G8-T115 WeakPolarHBondContact O-CG2 3.35Å; V20-T115 HydrophobicContact CG1-CG2 4.1Å; V20-T115 WeakPolarHBondContact CG1-OG1 3.27Å; V20-T115 HydrophobicContact CG2-CG2 4.13Å; V93-T115 WeakPolarHBondContact CA-O 3.36Å; Y94-T115 PolarHBondContact N-O 3.32Å; Y94-T115 PolarHBondContact O-N 2.99Å; T115-V117 HydrophobicContact CG2-CG2 4.29Å; T115-V117 PolarHBondContact O-N 3.42Å
116	L	98.6	Very high	89.1	Confident	77 Å²	77	60.7 Å²	60.7	40%	0.403	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	118.5	173.5	174.6	64	0	0	0	109.5	A9 E10 V93	A9-L116 CarbonylContact C-O 3.56Å; A9-L116 WeakPolarHBondContact CA-O 3.37Å; A9-L116 HydrophobicContact CB-CB 4.01Å; A9-L116 WeakPolarHBondContact CB-O 3.43Å; E10-L116 PolarHBondContact N-O 2.97Å; V93-L116 HydrophobicContact CG2-CD1 4.17Å
117	V	98.5	Very high	91.1	Very high	0 Å²	0	59 Å²	59	0%	0	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	124.6	168.7	-179.2	0	0	0	0	108.3	E10 V18 V20 T91 A92 Y94 T115 V119	E10-V117 WeakPolarHBondContact O-CA 3.4Å; V18-V117 HydrophobicContact CB-CG1 4.41Å; V18-V117 HydrophobicContact CG1-CG1 4.2Å; V18-V117 HydrophobicContact CG1-CG2 4.4Å; V18-V117 HydrophobicContact CG2-CG1 4.27Å; V18-V117 HydrophobicContact CG2-CG2 3.96Å; V20-V117 HydrophobicContact CG2-CG2 4.28Å; T91-V117 WeakPolarHBondContact CA-O 3.02Å; A92-V117 PolarHBondContact N-O 3.1Å; A92-V117 VanDerWaalsContact N-O 3.16Å; A92-V117 PolarHBondContact O-N 3.03Å; Y94-V117 HydrophobicContact CD2-CB 3.94Å; Y94-V117 HydrophobicContact CD2-CG2 3.67Å; Y94-V117 HydrophobicContact CE2-CB 3.67Å; Y94-V117 HydrophobicContact CE2-CG2 3.85Å; T115-V117 HydrophobicContact CG2-CG2 4.29Å; T115-V117 PolarHBondContact O-N 3.42Å; V117-V119 HydrophobicContact CG1-CG2 4.47Å
118	T	98.4	Very high	92.7	Very high	45 Å²	45	58.9 Å²	58.9	28%	0.276	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	126.4	175.6	-55.1	0	0	0	0	109.9	E10 V11 Q12 T91	E10-T118 PolarHBondContact O-N 3.15Å; V11-T118 CarbonylContact C-O 3.56Å; V11-T118 WeakPolarHBondContact CA-O 3.41Å; Q12-T118 PolarHBondContact N-O 3.09Å; T91-T118 HydrophobicContact CG2-CG2 4.5Å
119	V	98.1	Very high	94.2	Very high	11 Å²	11	56.9 Å²	56.9	7%	0.067	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	106.1	176.9	-172.9	0	0	0	0	109.4	Q12 P14 L86 R87 D90 T91 V117	Q12-V119 VanDerWaalsContact O-CA 3.3Å; Q12-V119 WeakPolarHBondContact O-CA 3.47Å; P14-V119 HydrophobicContact CB-CG1 4.43Å; P14-V119 HydrophobicContact CG-CG1 4.06Å; L86-V119 HydrophobicContact CB-CG1 4.2Å; L86-V119 HydrophobicContact CB-CG2 4.06Å; L86-V119 HydrophobicContact CD1-CG2 4.3Å; L86-V119 HydrophobicContact CD2-CG2 4.11Å; L86-V119 HydrophobicContact CG-CG2 4.4Å; R87-V119 WeakPolarHBondContact O-CB 3.4Å; R87-V119 WeakPolarHBondContact O-CG1 3.34Å; R87-V119 WeakPolarHBondContact O-CG2 3.48Å; D90-V119 HydrophobicContact CB-CG2 4.39Å; T91-V119 PolarHBondContact OG1-N 3.3Å; V117-V119 HydrophobicContact CG1-CG2 4.47Å
120	S	95.6	Very high	95.4	Very high	54 Å²	54	53.9 Å²	53.9	38%	0.378	30%	0.299	S	S	.	.			trans	-140.5	148	-175.5	60	0	0	0	0	112.2	V11 Q12	V11-S120 WeakPolarHBondContact CG1-OG 3.48Å; Q12-S120 PolarHBondContact O-N 2.59Å
121	S	87.1	Confident	96	Very high	151 Å²	151	52.6 Å²	52.6	100%	1.056	30%	0.302	S	S	*	.			trans	-78.6	0	177.7	58.2	0	0	0	0	113.3

Retrieved 121 of 121 residues in 161.6 ms (Link to these results)

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