A0A087X3A4_POEFO Loading...

UPAR/Ly6 domain-containing protein

AlphaFold DB , UniProt , Accession A0A087X3A4, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 202 aa.

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(Predicted Aligned Error values between residue pairs)

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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	L	43.3	Very low	57.2	Low	221 Å²	221	138.7 Å²	138.7	100%	1.157	73%	0.731	S	S	*	*				0	100.4	0	-148.2	76.1	0	0	0	106.6	V3	L1-V3 PolarHBondContact O-N 3.14Å
2	Q	45.6	Very low	60.2	Low	196 Å²	196	128.9 Å²	128.9	92%	0.916	68%	0.679	S	S	*	*			trans	-89.2	104.6	-177.2	-142.1	164.5	8.1	0	0	106.8	L4	Q2-L4 PolarHBondContact O-N 3.24Å
3	V	51.8	Low	62.9	Low	103 Å²	103	124.6 Å²	124.6	62%	0.624	65%	0.651	S	S	*	*			trans	-74.2	109	176	-179.5	0	0	0	0	106.5	L1 F5	L1-V3 PolarHBondContact O-N 3.14Å; V3-F5 HydrophobicContact CB-CE2 4.41Å; V3-F5 HydrophobicContact CG1-CD2 4.33Å; V3-F5 HydrophobicContact CG1-CE2 4.1Å; V3-F5 HydrophobicContact CG1-CZ 4.42Å; V3-F5 PolarHBondContact O-N 3.45Å; V3-F5 VanDerWaalsContact O-N 3.14Å
4	L	51	Low	65.3	Low	148 Å²	148	115.7 Å²	115.7	78%	0.775	61%	0.605	S	S	*	*			trans	-72.2	101	173.6	-145.9	87.3	0	0	0	107.1	Q2 L6	Q2-L4 PolarHBondContact O-N 3.24Å; L4-L6 PolarHBondContact O-N 3.16Å; L4-L6 VanDerWaalsContact O-N 3.16Å
5	F	51.4	Low	67.4	Low	184 Å²	184	109.6 Å²	109.6	81%	0.807	57%	0.572	S	S	*	*			trans	-73.8	100.4	165.6	-76.7	-85.9	0	0	0	107.1	V3	V3-F5 HydrophobicContact CB-CE2 4.41Å; V3-F5 HydrophobicContact CG1-CD2 4.33Å; V3-F5 HydrophobicContact CG1-CE2 4.1Å; V3-F5 HydrophobicContact CG1-CZ 4.42Å; V3-F5 PolarHBondContact O-N 3.45Å; V3-F5 VanDerWaalsContact O-N 3.14Å
6	L	55.2	Low	69.1	Low	143 Å²	143	103.6 Å²	103.6	75%	0.749	54%	0.542	S	S	*	.			trans	-64.5	124.3	162.4	-73.1	163.4	0	0	0	106.5	L4 E8	L4-L6 PolarHBondContact O-N 3.16Å; L4-L6 VanDerWaalsContact O-N 3.16Å; L6-E8 PolarHBondContact O-N 3.01Å
7	P	55.9	Low	70.6	Confident	113 Å²	113	99.1 Å²	99.1	73%	0.734	52%	0.523	S	S	*	.			trans	-58.1	133.7	171.9	23.2	-29.4	0	0	0	108	A9	P7-A9 PolarHBondContact O-N 3.33Å
8	E	55.8	Low	71.8	Confident	185 Å²	185	95.7 Å²	95.7	86%	0.864	51%	0.509	S	S	*	.			trans	-54.7	114.1	169.5	-163.7	166.3	-162.7	0	0	106.4	L6 D10	L6-E8 PolarHBondContact O-N 3.01Å; E8-D10 PolarHBondContact O-N 3.5Å; E8-D10 VanDerWaalsContact O-N 3.1Å
9	A	62.3	Low	72.7	Confident	58 Å²	58	95.5 Å²	95.5	48%	0.479	51%	0.508	S	S	.	.			trans	-76.3	106	-175.5	0	0	0	0	0	107.1	P7 N11 Q34	P7-A9 PolarHBondContact O-N 3.33Å; A9-N11 PolarHBondContact O-N 3.1Å; A9-Q34 PolarHBondContact O-NE2 3.07Å
10	D	72.1	Confident	73.4	Confident	126 Å²	126	95.5 Å²	95.5	67%	0.674	51%	0.508	S	S	*	.			trans	-45.6	129.6	178.4	-76.4	-18.9	0	0	0	110.3	E8	E8-D10 PolarHBondContact O-N 3.5Å; E8-D10 VanDerWaalsContact O-N 3.1Å
11	N	85.3	Confident	73.7	Confident	49 Å²	49	96.8 Å²	96.8	26%	0.262	52%	0.521	S	S	.	.			trans	-72.3	152.1	175.2	-59.4	-64.9	0	0	0	110	A9 K13 E30 C31	A9-N11 PolarHBondContact O-N 3.1Å; N11-K13 PolarHBondContact O-N 3.27Å; N11-E30 HydrophobicContact CB-CG 3.75Å; N11-E30 WeakPolarHBondContact CB-OE1 3.31Å; N11-E30 PolarHBondContact ND2-OE1 3.18Å; N11-C31 VanDerWaalsContact CB-O 3.23Å; N11-C31 WeakPolarHBondContact CB-O 3.46Å
12	L	92.9	Very high	75.5	Confident	21 Å²	21	89.8 Å²	89.8	11%	0.11	50%	0.502	C	S	.	.			trans	-51.3	132.8	177	-178.9	68.3	0	0	0	111	C31 Y36 G87	L12-C31 HydrophobicContact CB-CB 4.33Å; L12-C31 WeakPolarHBondContact O-CB 3.28Å; L12-C31 PolarHBondContact O-N 3.25Å; L12-C31 PolarHBondContact O-SG 3.26Å; L12-Y36 WeakPolarHBondContact CD2-O 3.5Å; L12-G87 WeakPolarHBondContact CD1-O 3.21Å
13	K	95	Very high	77.2	Confident	73 Å²	73	83.3 Å²	83.3	32%	0.317	48%	0.479	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	136.5	173.5	-67.9	173.2	-174.2	166.4	0	110.3	N11 T28 I29 E30 C38 D88 I89	N11-K13 PolarHBondContact O-N 3.27Å; K13-T28 HydrophobicContact CB-CG2 4.04Å; K13-I29 CarbonylContact C-O 3.54Å; K13-I29 WeakPolarHBondContact CA-O 3.44Å; K13-E30 HydrophobicContact CG-CB 4.42Å; K13-E30 HydrophobicContact CG-CG 4.43Å; K13-C38 PolarHBondContact O-SG 3.24Å; K13-D88 PolarHBondContact N-OD1 3.46Å; K13-D88 CarbonylContact O-C 3.59Å; K13-D88 WeakPolarHBondContact O-CA 2.93Å; K13-I89 HydrophobicContact CB-CG1 4.48Å; K13-I89 PolarHBondContact O-N 2.9Å
14	C	96.5	Very high	78.9	Confident	0 Å²	0	80.3 Å²	80.3	0%	0	46%	0.462	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	153.3	-179.5	-60.9	0	0	0	0	111.6	C16 T28 I29 C31 C38	C14-C16 PolarHBondContact O-N 2.89Å; C14-T28 WeakPolarHBondContact O-CA 3.03Å; C14-T28 WeakPolarHBondContact O-CG2 3.01Å; C14-I29 PolarHBondContact N-O 3.29Å; C14-I29 PolarHBondContact O-N 3.02Å; C14-C31 PolarHBondContact SG-SG 2.91Å; C14-C38 WeakPolarHBondContact CA-SG 3.45Å; C14-C38 HydrophobicContact CB-CB 3.67Å; C14-C38 WeakPolarHBondContact CB-SG 3.28Å; C14-C38 WeakPolarHBondContact SG-CA 2.99Å; C14-C38 WeakPolarHBondContact SG-CB 3.35Å; C14-C38 CovalentContact SG-SG 2.03Å; C14-C38 PolarHBondContact SG-SG 3.28Å
15	E	96.4	Very high	80.6	Confident	24 Å²	24	79.8 Å²	79.8	11%	0.112	47%	0.465	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.7	132.4	167.1	-171.2	170.7	-137.3	0	0	109.1	K27 K58 I89 N91 A92	E15-K27 CarbonylContact C-O 3.6Å; E15-K27 WeakPolarHBondContact CA-O 3.13Å; E15-K27 HydrophobicContact CG-CG 4.43Å; E15-K27 WeakPolarHBondContact CG-O 3.43Å; E15-K27 WeakPolarHBondContact OE1-CE 3.19Å; E15-K27 IonicContact OE1-NZ 3.42Å; E15-K58 HydrophobicContact CB-CD 4.29Å; E15-K58 HydrophobicContact CG-CD 4.24Å; E15-K58 CarbonylContact O-C 3.58Å; E15-K58 WeakPolarHBondContact O-CB 3.35Å; E15-K58 VanDerWaalsContact OE2-CD 3.27Å; E15-K58 WeakPolarHBondContact OE2-CD 3.34Å; E15-K58 IonicContact OE2-NZ 3.83Å; E15-K58 PolarHBondContact OE2-NZ 2.82Å; E15-I89 HydrophobicContact CB-CG2 4.5Å; E15-N91 WeakPolarHBondContact CB-OD1 3.36Å; E15-N91 PolarHBondContact N-OD1 2.62Å; E15-N91 PolarHBondContact O-ND2 3.39Å; E15-A92 HydrophobicContact CB-CB 4.5Å; E15-A92 VanDerWaalsContact OE2-CA 3.23Å; E15-A92 WeakPolarHBondContact OE2-CA 3.05Å
16	C	95.6	Very high	82.4	Confident	14 Å²	14	77.3 Å²	77.3	10%	0.095	46%	0.456	C	S	.	.			trans	-105.6	118.5	168.5	-163.1	0	0	0	0	108.3	C14 C24 Q26 K27 I29 K58	C14-C16 PolarHBondContact O-N 2.89Å; C16-C24 HydrophobicContact CB-CB 3.86Å; C16-C24 WeakPolarHBondContact CB-SG 2.89Å; C16-C24 WeakPolarHBondContact SG-CB 3.02Å; C16-C24 CovalentContact SG-SG 2.05Å; C16-C24 PolarHBondContact SG-SG 3.32Å; C16-Q26 WeakPolarHBondContact CB-O 3.28Å; C16-K27 PolarHBondContact N-O 3.16Å; C16-I29 HydrophobicContact CB-CB 4.47Å; C16-I29 HydrophobicContact CB-CD1 4.17Å; C16-I29 HydrophobicContact CB-CG1 4.05Å; C16-I29 HydrophobicContact CB-CG2 3.75Å; C16-K58 WeakPolarHBondContact CA-O 3.39Å
17	A	94.4	Very high	84.2	Confident	27 Å²	27	77.7 Å²	77.7	22%	0.223	45%	0.452	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	140.1	170.8	0	0	0	0	0	108	C24 D57 K58 Y96	A17-C24 PolarHBondContact N-SG 3.39Å; A17-D57 CarbonylContact O-C 3.53Å; A17-D57 VanDerWaalsContact O-CA 3.27Å; A17-D57 WeakPolarHBondContact O-CA 3.49Å; A17-K58 HydrophobicContact CB-CB 4.19Å; A17-K58 HydrophobicContact CB-CD 4.48Å; A17-K58 HydrophobicContact CB-CG 4.43Å; A17-K58 PolarHBondContact N-O 2.8Å; A17-K58 PolarHBondContact O-N 2.81Å; A17-Y96 WeakPolarHBondContact CB-OH 3.31Å
18	S	92	Very high	86	Confident	38 Å²	38	74.6 Å²	74.6	27%	0.266	43%	0.431	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-154	142.2	173.9	177.8	0	0	0	0	109.2	L20 N56	S18-L20 WeakPolarHBondContact OG-CB 3.46Å; S18-L20 PolarHBondContact OG-N 3.37Å; S18-N56 WeakPolarHBondContact CA-O 2.99Å
19	N	89	Confident	87.8	Confident	91 Å²	91	68.3 Å²	68.3	49%	0.487	40%	0.403	S	S	.	.	S	Bend	trans	-81.3	1.4	169.5	65.6	-31.1	0	0	0	112.9	E54 L55 N56	N19-E54 PolarHBondContact ND2-O 3.08Å; N19-L55 WeakPolarHBondContact OD1-CA 3.36Å; N19-L55 VanDerWaalsContact OD1-CD1 3.25Å; N19-L55 WeakPolarHBondContact OD1-CD1 3.27Å; N19-N56 PolarHBondContact N-O 2.85Å; N19-N56 PolarHBondContact OD1-N 2.87Å; N19-N56 PolarHBondContact OD1-O 3.34Å
20	L	86	Confident	89.4	Confident	96 Å²	96	70.7 Å²	70.7	50%	0.503	40%	0.404	S	S	.	.	S	Bend	trans	-87.2	128.7	171.7	-167.4	71.4	0	0	0	110.7	S18 G22 S23 L55	S18-L20 WeakPolarHBondContact OG-CB 3.46Å; S18-L20 PolarHBondContact OG-N 3.37Å; L20-G22 PolarHBondContact O-N 3.33Å; L20-S23 WeakPolarHBondContact CB-OG 3.23Å; L20-S23 WeakPolarHBondContact CD2-OG 3.42Å; L20-S23 PolarHBondContact O-N 3.21Å; L20-L55 HydrophobicContact CB-CD1 3.79Å
21	P	81.1	Confident	90.4	Very high	122 Å²	122	64.8 Å²	64.8	79%	0.792	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.5	133.4	179.2	-24	33.5	0	0	0	112.5	S23	P21-S23 VanDerWaalsContact C-N 3.28Å; P21-S23 PolarHBondContact O-N 3.41Å
22	G	79.3	Confident	90.6	Very high	74 Å²	74	67.5 Å²	67.5	76%	0.763	40%	0.395	S	S	*	.	T	Hydrogen-bonded Turn	trans	80	-3.9	174.8	0	0	0	0	0	115.8	L20	L20-G22 PolarHBondContact O-N 3.33Å
23	S	82.4	Confident	90.3	Very high	60 Å²	60	68.2 Å²	68.2	42%	0.42	40%	0.402	S	S	.	.	S	Bend	trans	-73.3	-30.2	-178.9	-64	0	0	0	0	114.4	L20 P21	L20-S23 WeakPolarHBondContact CB-OG 3.23Å; L20-S23 WeakPolarHBondContact CD2-OG 3.42Å; L20-S23 PolarHBondContact O-N 3.21Å; P21-S23 VanDerWaalsContact C-N 3.28Å; P21-S23 PolarHBondContact O-N 3.41Å
24	C	88.2	Confident	89.7	Confident	41 Å²	41	70.5 Å²	70.5	28%	0.277	41%	0.414	S	S	.	.			trans	-128.7	112.4	174.9	-66.1	0	0	0	0	109.5	C16 A17	C16-C24 HydrophobicContact CB-CB 3.86Å; C16-C24 WeakPolarHBondContact CB-SG 2.89Å; C16-C24 WeakPolarHBondContact SG-CB 3.02Å; C16-C24 CovalentContact SG-SG 2.05Å; C16-C24 PolarHBondContact SG-SG 3.32Å; A17-C24 PolarHBondContact N-SG 3.39Å
25	T	86.4	Confident	89.3	Confident	136 Å²	136	76.3 Å²	76.3	83%	0.834	45%	0.445	S	S	*	.	S	Bend	trans	-86.3	-23.5	173.2	52.9	0	0	0	0	112.3
26	Q	89.1	Confident	89.2	Confident	133 Å²	133	77.9 Å²	77.9	62%	0.621	45%	0.45	S	S	*	.	S	Bend	trans	-127.5	152.9	178.3	-60.5	-177.7	11.6	0	0	109.8	C16 T28	C16-Q26 WeakPolarHBondContact CB-O 3.28Å; Q26-T28 VanDerWaalsContact C-N 3.27Å; Q26-T28 PolarHBondContact O-N 3.06Å
27	K	91.6	Very high	89.2	Confident	151 Å²	151	81.5 Å²	81.5	66%	0.657	46%	0.462	S	S	*	.	S	Bend	trans	-70.4	-25.2	178.1	-173.3	176.7	-179.8	-176.8	0	112.8	E15 C16	E15-K27 CarbonylContact C-O 3.6Å; E15-K27 WeakPolarHBondContact CA-O 3.13Å; E15-K27 HydrophobicContact CG-CG 4.43Å; E15-K27 WeakPolarHBondContact CG-O 3.43Å; E15-K27 WeakPolarHBondContact OE1-CE 3.19Å; E15-K27 IonicContact OE1-NZ 3.42Å; C16-K27 PolarHBondContact N-O 3.16Å
28	T	94.6	Very high	89.3	Confident	48 Å²	48	80.2 Å²	80.2	29%	0.294	45%	0.451	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	140.8	179.7	-54.7	0	0	0	0	108.3	K13 C14 Q26 I89	K13-T28 HydrophobicContact CB-CG2 4.04Å; C14-T28 WeakPolarHBondContact O-CA 3.03Å; C14-T28 WeakPolarHBondContact O-CG2 3.01Å; Q26-T28 VanDerWaalsContact C-N 3.27Å; Q26-T28 PolarHBondContact O-N 3.06Å; T28-I89 HydrophobicContact CG2-CD1 4.07Å; T28-I89 HydrophobicContact CG2-CG1 4.16Å
29	I	93.9	Very high	89.6	Confident	53 Å²	53	78.5 Å²	78.5	27%	0.272	44%	0.439	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	148.7	175.3	57.6	171.8	0	0	0	109.8	K13 C14 C16 C60	K13-I29 CarbonylContact C-O 3.54Å; K13-I29 WeakPolarHBondContact CA-O 3.44Å; C14-I29 PolarHBondContact N-O 3.29Å; C14-I29 PolarHBondContact O-N 3.02Å; C16-I29 HydrophobicContact CB-CB 4.47Å; C16-I29 HydrophobicContact CB-CD1 4.17Å; C16-I29 HydrophobicContact CB-CG1 4.05Å; C16-I29 HydrophobicContact CB-CG2 3.75Å; I29-C60 HydrophobicContact CD1-CB 4.32Å
30	E	94.6	Very high	89.9	Confident	107 Å²	107	74.2 Å²	74.2	50%	0.5	42%	0.416	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91	130.3	171.1	-171.8	173.9	161	0	0	109.2	N11 K13	N11-E30 HydrophobicContact CB-CG 3.75Å; N11-E30 WeakPolarHBondContact CB-OE1 3.31Å; N11-E30 PolarHBondContact ND2-OE1 3.18Å; K13-E30 HydrophobicContact CG-CB 4.42Å; K13-E30 HydrophobicContact CG-CG 4.43Å
31	C	93.9	Very high	90.4	Very high	3 Å²	3	69.9 Å²	69.9	2%	0.02	39%	0.394	C	S	.	.			trans	-74.5	150.3	-179.7	-55	0	0	0	0	111.1	N11 L12 C14 S33 Y36 C60	N11-C31 VanDerWaalsContact CB-O 3.23Å; N11-C31 WeakPolarHBondContact CB-O 3.46Å; L12-C31 HydrophobicContact CB-CB 4.33Å; L12-C31 WeakPolarHBondContact O-CB 3.28Å; L12-C31 PolarHBondContact O-N 3.25Å; L12-C31 PolarHBondContact O-SG 3.26Å; C14-C31 PolarHBondContact SG-SG 2.91Å; C31-S33 PolarHBondContact O-N 2.03Å; C31-S33 VanDerWaalsContact O-N 3.16Å; C31-Y36 HydrophobicContact CB-CD1 4.44Å; C31-Y36 HydrophobicContact CB-CD2 4.5Å; C31-Y36 HydrophobicContact CB-CG 3.96Å; C31-C60 WeakPolarHBondContact CA-SG 3.3Å; C31-C60 HydrophobicContact CB-CB 3.76Å; C31-C60 WeakPolarHBondContact CB-SG 3.36Å; C31-C60 WeakPolarHBondContact SG-CB 2.92Å; C31-C60 CovalentContact SG-SG 2.05Å; C31-C60 PolarHBondContact SG-SG 3.22Å
32	S	90.6	Very high	91.1	Very high	105 Å²	105	64.2 Å²	64.2	73%	0.734	36%	0.358	S	S	*	.	S	Bend	trans	-68.3	-16.3	-174.4	-51	0	0	0	0	114.7
33	S	86.7	Confident	91.9	Very high	36 Å²	36	62.2 Å²	62.2	25%	0.252	33%	0.328	S	S	.	.	S	Bend	trans	-160.8	168.5	172.9	70.9	0	0	0	0	110.9	C31 N35 Y36	C31-S33 PolarHBondContact O-N 2.03Å; C31-S33 VanDerWaalsContact O-N 3.16Å; S33-N35 PolarHBondContact O-N 3.3Å; S33-N35 PolarHBondContact OG-N 2.96Å; S33-Y36 WeakPolarHBondContact O-CD2 3.43Å; S33-Y36 PolarHBondContact O-N 3.17Å; S33-Y36 WeakPolarHBondContact OG-CD2 3.04Å
34	Q	81	Confident	92.5	Very high	121 Å²	121	59.4 Å²	59.4	57%	0.565	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67	-12.5	175.6	-64.2	178.5	11.4	0	0	114.4	A9 Y36	A9-Q34 PolarHBondContact O-NE2 3.07Å; Q34-Y36 PolarHBondContact O-N 3.02Å
35	N	89.2	Confident	92.8	Very high	123 Å²	123	60 Å²	60	66%	0.658	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.8	-4.5	178.4	-66.6	-24.4	0	0	0	112.9	S33 P63	S33-N35 PolarHBondContact O-N 3.3Å; S33-N35 PolarHBondContact OG-N 2.96Å; N35-P63 WeakPolarHBondContact O-CD 3.2Å; N35-P63 WeakPolarHBondContact O-CG 3.34Å
36	Y	94.1	Very high	93.2	Very high	57 Å²	57	54.4 Å²	54.4	22%	0.224	27%	0.271	C	S	.	.			trans	-82.1	162.6	178.4	-79.1	-107.1	0	0	0	111.8	L12 C31 S33 Q34 C60 V61 L62	L12-Y36 WeakPolarHBondContact CD2-O 3.5Å; C31-Y36 HydrophobicContact CB-CD1 4.44Å; C31-Y36 HydrophobicContact CB-CD2 4.5Å; C31-Y36 HydrophobicContact CB-CG 3.96Å; S33-Y36 WeakPolarHBondContact O-CD2 3.43Å; S33-Y36 PolarHBondContact O-N 3.17Å; S33-Y36 WeakPolarHBondContact OG-CD2 3.04Å; Q34-Y36 PolarHBondContact O-N 3.02Å; Y36-C60 HydrophobicContact CD1-CB 3.76Å; Y36-C60 HydrophobicContact CE1-CB 4.43Å; Y36-C60 HydrophobicContact CG-CB 4.48Å; Y36-V61 CarbonylContact C-O 3.52Å; Y36-V61 WeakPolarHBondContact CA-O 3.36Å; Y36-V61 VanDerWaalsContact CD1-C 3.42Å; Y36-V61 WeakPolarHBondContact CD1-O 3.32Å; Y36-L62 HydrophobicContact CD2-CD2 4.05Å; Y36-L62 HydrophobicContact CE1-CD2 4.39Å; Y36-L62 HydrophobicContact CE1-CG 4.2Å; Y36-L62 HydrophobicContact CE2-CD2 3.78Å; Y36-L62 HydrophobicContact CE2-CG 4.41Å; Y36-L62 HydrophobicContact CG-CD2 4.45Å
37	R	95.6	Very high	93.4	Very high	90 Å²	90	53 Å²	53	34%	0.34	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	155.8	170.9	-65.3	-171.1	169.7	162.1	6	110	C60 V61 P63 C84 D86	R37-C60 WeakPolarHBondContact O-CA 3.44Å; R37-V61 PolarHBondContact N-O 2.73Å; R37-V61 PolarHBondContact O-N 3.08Å; R37-P63 HydrophobicContact CG-CG 4.11Å; R37-C84 HydrophobicContact CB-CB 4.19Å; R37-D86 WeakPolarHBondContact CD-OD1 3.45Å; R37-D86 WeakPolarHBondContact CG-OD1 3.19Å; R37-D86 IonicContact CZ-OD1 3.82Å; R37-D86 IonicContact NE-OD1 3.51Å; R37-D86 PolarHBondContact NE-OD1 2.87Å; R37-D86 IonicContact NE-OD2 2.84Å
38	C	96.8	Very high	93.4	Very high	0 Å²	0	49.2 Å²	49.2	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	138.6	167.4	-54.3	0	0	0	0	109.5	K13 C14 C84 C85 C90 N91	K13-C38 PolarHBondContact O-SG 3.24Å; C14-C38 WeakPolarHBondContact CA-SG 3.45Å; C14-C38 HydrophobicContact CB-CB 3.67Å; C14-C38 WeakPolarHBondContact CB-SG 3.28Å; C14-C38 WeakPolarHBondContact SG-CA 2.99Å; C14-C38 WeakPolarHBondContact SG-CB 3.35Å; C14-C38 CovalentContact SG-SG 2.03Å; C14-C38 PolarHBondContact SG-SG 3.28Å; C38-C84 CarbonylContact O-C 3.57Å; C38-C84 WeakPolarHBondContact O-CA 3.43Å; C38-C84 VanDerWaalsContact O-CB 3.28Å; C38-C84 WeakPolarHBondContact O-CB 3.17Å; C38-C85 PolarHBondContact N-O 3.25Å; C38-C85 PolarHBondContact O-N 2.03Å; C38-C90 VanDerWaalsContact CB-SG 3.57Å; C38-N91 HydrophobicContact CB-CB 3.67Å
39	S	96.8	Very high	93	Very high	2 Å²	2	49.8 Å²	49.8	1%	0.014	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	155.6	179.3	63.4	0	0	0	0	112.3	K58 S59 V61 S83 N91	S39-K58 VanDerWaalsContact O-CA 3.22Å; S39-K58 WeakPolarHBondContact O-CA 3.48Å; S39-S59 PolarHBondContact N-O 3.28Å; S39-S59 PolarHBondContact O-N 3.47Å; S39-S59 PolarHBondContact OG-N 2.9Å; S39-S59 PolarHBondContact OG-O 3.02Å; S39-S59 PolarHBondContact OG-OG 3.12Å; S39-V61 WeakPolarHBondContact OG-CG1 3.39Å; S39-S83 CarbonylContact C-O 3.55Å; S39-S83 WeakPolarHBondContact CA-O 3.3Å; S39-N91 WeakPolarHBondContact O-CB 3.37Å; S39-N91 PolarHBondContact O-ND2 2.86Å
40	A	97	Very high	92.9	Very high	0 Å²	0	50.2 Å²	50.2	0%	0	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	126.5	154.8	0	0	0	0	0	107.7	D57 K58 S82 S83 I94 Y96	A40-D57 CarbonylContact C-O 3.6Å; A40-D57 WeakPolarHBondContact CA-O 3.02Å; A40-K58 HydrophobicContact CB-CD 4.48Å; A40-K58 HydrophobicContact CB-CG 3.9Å; A40-S82 WeakPolarHBondContact O-CA 3.4Å; A40-S83 PolarHBondContact N-O 2.94Å; A40-S83 PolarHBondContact O-N 2.88Å; A40-I94 HydrophobicContact CB-CB 4.01Å; A40-I94 HydrophobicContact CB-CG2 3.61Å; A40-Y96 HydrophobicContact CB-CD1 4.48Å
41	A	95.9	Very high	92.8	Very high	5 Å²	5	50.4 Å²	50.4	4%	0.041	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	153.5	-175.6	0	0	0	0	0	111.6	N56 D57 K81	A41-N56 WeakPolarHBondContact O-CA 3.1Å; A41-D57 WeakPolarHBondContact CB-OD1 3.33Å; A41-D57 PolarHBondContact N-O 2.78Å; A41-D57 PolarHBondContact O-N 2.03Å; A41-K81 CarbonylContact C-O 3.55Å; A41-K81 VanDerWaalsContact CA-O 3.28Å; A41-K81 WeakPolarHBondContact CA-O 3.39Å
42	T	96.1	Very high	92.9	Very high	4 Å²	4	55.6 Å²	55.6	3%	0.025	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	126.2	171.5	-60.3	0	0	0	0	108.6	V44 E54 L55 N56 Q80 K81 Y96 P97 P99	T42-V44 HydrophobicContact CG2-CG2 4.07Å; T42-E54 HydrophobicContact CG2-CG 4.18Å; T42-L55 CarbonylContact C-O 3.33Å; T42-L55 VanDerWaalsContact CA-O 3.26Å; T42-L55 WeakPolarHBondContact CA-O 3.32Å; T42-N56 WeakPolarHBondContact CB-OD1 3.36Å; T42-N56 WeakPolarHBondContact CG2-OD1 3.4Å; T42-N56 PolarHBondContact OG1-OD1 2.9Å; T42-Q80 WeakPolarHBondContact O-CA 3.35Å; T42-K81 PolarHBondContact N-O 3.04Å; T42-K81 PolarHBondContact O-N 3.21Å; T42-Y96 WeakPolarHBondContact OG1-CB 3.32Å; T42-P97 WeakPolarHBondContact CB-O 3.43Å; T42-P97 PolarHBondContact OG1-O 2.89Å; T42-P99 HydrophobicContact CG2-CG 3.84Å
43	Q	94.8	Very high	93.1	Very high	31 Å²	31	52.8 Å²	52.8	15%	0.145	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	125	174.1	-173.9	-179.5	104.4	0	0	109.5	E54 L55 M78 V79 Q80	Q43-E54 WeakPolarHBondContact O-CA 2.88Å; Q43-L55 HydrophobicContact CB-CB 4.43Å; Q43-L55 PolarHBondContact N-O 3.45Å; Q43-L55 PolarHBondContact O-N 3.43Å; Q43-M78 HydrophobicContact CG-CG 3.94Å; Q43-M78 HydrophobicContact CG-SD 4.22Å; Q43-V79 CarbonylContact C-O 3.57Å; Q43-V79 WeakPolarHBondContact CA-O 2.99Å; Q43-Q80 HydrophobicContact CB-CG 4.47Å; Q43-Q80 HydrophobicContact CG-CB 4.48Å
44	V	95.1	Very high	93.5	Very high	1 Å²	1	54.8 Å²	54.8	1%	0.006	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	134.4	178.4	-174.6	0	0	0	0	109.2	T42 F46 K51 S53 E54 M78 V79 P99	T42-V44 HydrophobicContact CG2-CG2 4.07Å; V44-F46 HydrophobicContact CB-CE2 4Å; V44-F46 HydrophobicContact CB-CZ 4.23Å; V44-F46 HydrophobicContact CG1-CD2 4.25Å; V44-F46 HydrophobicContact CG1-CE1 4.11Å; V44-F46 HydrophobicContact CG1-CE2 3.45Å; V44-F46 VanDerWaalsContact CG1-CE2 3.45Å; V44-F46 HydrophobicContact CG1-CZ 3.35Å; V44-K51 HydrophobicContact CG1-CD 3.45Å; V44-K51 VanDerWaalsContact CG1-CD 3.45Å; V44-K51 HydrophobicContact CG1-CG 3.64Å; V44-S53 WeakPolarHBondContact CA-O 3.37Å; V44-E54 HydrophobicContact CG2-CB 4.5Å; V44-E54 HydrophobicContact CG2-CG 4.09Å; V44-M78 WeakPolarHBondContact O-CA 3.38Å; V44-V79 PolarHBondContact N-O 3.31Å; V44-V79 PolarHBondContact O-N 2.89Å; V44-P99 HydrophobicContact CG2-CB 4.38Å; V44-P99 HydrophobicContact CG2-CG 3.84Å
45	K	95.4	Very high	94.1	Very high	55 Å²	55	51.1 Å²	51.1	24%	0.239	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	137.3	176.5	-53.5	175.7	-176.7	-174.9	0	110.6	F52 S53 Y76 R77 M78	K45-F52 HydrophobicContact CB-CD1 4.11Å; K45-F52 HydrophobicContact CB-CE1 3.34Å; K45-F52 HydrophobicContact CB-CE2 4.31Å; K45-F52 HydrophobicContact CB-CZ 3.45Å; K45-F52 VanDerWaalsContact CB-CZ 3.45Å; K45-F52 HydrophobicContact CD-CZ 3.99Å; K45-F52 HydrophobicContact CG-CZ 4.36Å; K45-F52 VanDerWaalsContact O-CD1 3.24Å; K45-F52 WeakPolarHBondContact O-CD1 3.22Å; K45-F52 PolarHBondContact O-N 3.25Å; K45-S53 PolarHBondContact N-O 2.87Å; K45-S53 PolarHBondContact O-N 2.9Å; K45-Y76 HydrophobicContact CB-CE2 4.38Å; K45-Y76 WeakPolarHBondContact CD-OH 3.49Å; K45-R77 CarbonylContact C-O 3.56Å; K45-R77 WeakPolarHBondContact CA-O 3.42Å; K45-M78 HydrophobicContact CD-CE 4.47Å; K45-M78 HydrophobicContact CG-CG 4.28Å
46	F	94.1	Very high	94.4	Very high	18 Å²	18	46.7 Å²	46.7	8%	0.079	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	143.1	-179.2	-56	-95.5	0	0	0	110.6	V44 A50 K51 Y76 R77 V79 D101	V44-F46 HydrophobicContact CB-CE2 4Å; V44-F46 HydrophobicContact CB-CZ 4.23Å; V44-F46 HydrophobicContact CG1-CD2 4.25Å; V44-F46 HydrophobicContact CG1-CE1 4.11Å; V44-F46 HydrophobicContact CG1-CE2 3.45Å; V44-F46 VanDerWaalsContact CG1-CE2 3.45Å; V44-F46 HydrophobicContact CG1-CZ 3.35Å; F46-A50 CarbonylContact C-O 3.52Å; F46-A50 VanDerWaalsContact CA-O 3.25Å; F46-A50 WeakPolarHBondContact CA-O 3.23Å; F46-K51 HydrophobicContact CD1-CB 4.08Å; F46-K51 HydrophobicContact CE1-CB 3.88Å; F46-Y76 WeakPolarHBondContact O-CA 3.28Å; F46-R77 HydrophobicContact CB-CB 4.2Å; F46-R77 HydrophobicContact CD2-CB 4.25Å; F46-R77 HydrophobicContact CD2-CG 4.3Å; F46-R77 PolarHBondContact N-O 2.05Å; F46-R77 PolarHBondContact O-N 2.97Å; F46-R77 VanDerWaalsContact O-N 3.12Å; F46-V79 HydrophobicContact CE2-CG2 4.03Å; F46-D101 HydrophobicContact CZ-CB 4.13Å; F46-D101 VanDerWaalsContact CZ-CG 3.46Å; F46-D101 WeakPolarHBondContact CZ-OD1 3.49Å
47	L	94.7	Very high	94.4	Very high	104 Å²	104	45.6 Å²	45.6	55%	0.545	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132	121.2	172.2	-173.6	67.4	0	0	0	108.3	G49 A50 F52 A75	L47-G49 PolarHBondContact O-N 3.16Å; L47-A50 PolarHBondContact N-O 3.24Å; L47-A50 PolarHBondContact O-N 3.29Å; L47-A50 VanDerWaalsContact O-N 3.08Å; L47-F52 HydrophobicContact CB-CD1 3.62Å; L47-F52 HydrophobicContact CB-CE1 4.04Å; L47-F52 HydrophobicContact CB-CG 4.34Å; L47-A75 CarbonylContact C-O 3.53Å; L47-A75 VanDerWaalsContact CA-O 3.3Å; L47-A75 WeakPolarHBondContact CA-O 3.39Å
48	G	90.1	Very high	94.5	Very high	70 Å²	70	42.1 Å²	42.1	72%	0.722	25%	0.25	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.3	27.4	-175.6	0	0	0	0	0	113.5	A50 A75	G48-A50 VanDerWaalsContact C-N 3.26Å; G48-A50 PolarHBondContact O-N 3.3Å; G48-A75 PolarHBondContact N-O 2.81Å
49	G	87	Confident	94.4	Very high	60 Å²	60	43.5 Å²	43.5	62%	0.619	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	82.3	-9.4	-175.8	0	0	0	0	0	115.1	L47	L47-G49 PolarHBondContact O-N 3.16Å
50	A	91.2	Very high	94.4	Very high	62 Å²	62	44.5 Å²	44.5	51%	0.512	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	135	174.8	0	0	0	0	0	110.9	F46 L47 G48 F52	F46-A50 CarbonylContact C-O 3.52Å; F46-A50 VanDerWaalsContact CA-O 3.25Å; F46-A50 WeakPolarHBondContact CA-O 3.23Å; L47-A50 PolarHBondContact N-O 3.24Å; L47-A50 PolarHBondContact O-N 3.29Å; L47-A50 VanDerWaalsContact O-N 3.08Å; G48-A50 VanDerWaalsContact C-N 3.26Å; G48-A50 PolarHBondContact O-N 3.3Å; A50-F52 PolarHBondContact O-N 2Å
51	K	93.7	Very high	94.2	Very high	111 Å²	111	45.5 Å²	45.5	48%	0.483	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.2	119.9	171.1	-178.7	170.4	72.4	176.7	0	109.1	V44 F46 E54	V44-K51 HydrophobicContact CG1-CD 3.45Å; V44-K51 VanDerWaalsContact CG1-CD 3.45Å; V44-K51 HydrophobicContact CG1-CG 3.64Å; F46-K51 HydrophobicContact CD1-CB 4.08Å; F46-K51 HydrophobicContact CE1-CB 3.88Å; K51-E54 HydrophobicContact CD-CB 4.37Å; K51-E54 IonicContact NZ-OE2 2.81Å; K51-E54 PolarHBondContact NZ-OE2 2.9Å
52	F	94.9	Very high	94	Very high	113 Å²	113	47.7 Å²	47.7	50%	0.496	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	-15.6	177.4	79.3	-89.2	0	0	0	112.9	K45 L47 A50 Y76	K45-F52 HydrophobicContact CB-CD1 4.11Å; K45-F52 HydrophobicContact CB-CE1 3.34Å; K45-F52 HydrophobicContact CB-CE2 4.31Å; K45-F52 HydrophobicContact CB-CZ 3.45Å; K45-F52 VanDerWaalsContact CB-CZ 3.45Å; K45-F52 HydrophobicContact CD-CZ 3.99Å; K45-F52 HydrophobicContact CG-CZ 4.36Å; K45-F52 VanDerWaalsContact O-CD1 3.24Å; K45-F52 WeakPolarHBondContact O-CD1 3.22Å; K45-F52 PolarHBondContact O-N 3.25Å; L47-F52 HydrophobicContact CB-CD1 3.62Å; L47-F52 HydrophobicContact CB-CE1 4.04Å; L47-F52 HydrophobicContact CB-CG 4.34Å; A50-F52 PolarHBondContact O-N 2Å; F52-Y76 HydrophobicContact CE1-CD2 4.23Å; F52-Y76 AromaticContact CE1-CE2 3.97Å; F52-Y76 HydrophobicContact CE1-CE2 3.97Å; F52-Y76 HydrophobicContact CZ-CD2 4.48Å; F52-Y76 AromaticContact CZ-CE2 3.89Å; F52-Y76 HydrophobicContact CZ-CE2 3.89Å
53	S	94.8	Very high	93.7	Very high	46 Å²	46	49.4 Å²	49.4	32%	0.322	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.3	138.2	178.3	-177.8	0	0	0	0	110.6	V44 K45	V44-S53 WeakPolarHBondContact CA-O 3.37Å; K45-S53 PolarHBondContact N-O 2.87Å; K45-S53 PolarHBondContact O-N 2.9Å
54	E	94.8	Very high	93.2	Very high	77 Å²	77	51.4 Å²	51.4	36%	0.36	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	118.3	169.6	-179.1	175.1	126.2	0	0	107.4	N19 T42 Q43 V44 K51	N19-E54 PolarHBondContact ND2-O 3.08Å; T42-E54 HydrophobicContact CG2-CG 4.18Å; Q43-E54 WeakPolarHBondContact O-CA 2.88Å; V44-E54 HydrophobicContact CG2-CB 4.5Å; V44-E54 HydrophobicContact CG2-CG 4.09Å; K51-E54 HydrophobicContact CD-CB 4.37Å; K51-E54 IonicContact NZ-OE2 2.81Å; K51-E54 PolarHBondContact NZ-OE2 2.9Å
55	L	94.4	Very high	92.8	Very high	45 Å²	45	55.7 Å²	55.7	24%	0.236	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	130	177.1	-175.2	78	0	0	0	108	N19 L20 T42 Q43	N19-L55 WeakPolarHBondContact OD1-CA 3.36Å; N19-L55 VanDerWaalsContact OD1-CD1 3.25Å; N19-L55 WeakPolarHBondContact OD1-CD1 3.27Å; L20-L55 HydrophobicContact CB-CD1 3.79Å; T42-L55 CarbonylContact C-O 3.33Å; T42-L55 VanDerWaalsContact CA-O 3.26Å; T42-L55 WeakPolarHBondContact CA-O 3.32Å; Q43-L55 HydrophobicContact CB-CB 4.43Å; Q43-L55 PolarHBondContact N-O 3.45Å; Q43-L55 PolarHBondContact O-N 3.43Å
56	N	95.3	Very high	92.6	Very high	29 Å²	29	54.6 Å²	54.6	16%	0.155	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	124.5	172.2	-72.3	-42.7	0	0	0	107.4	S18 N19 A41 T42 Y96	S18-N56 WeakPolarHBondContact CA-O 2.99Å; N19-N56 PolarHBondContact N-O 2.85Å; N19-N56 PolarHBondContact OD1-N 2.87Å; N19-N56 PolarHBondContact OD1-O 3.34Å; A41-N56 WeakPolarHBondContact O-CA 3.1Å; T42-N56 WeakPolarHBondContact CB-OD1 3.36Å; T42-N56 WeakPolarHBondContact CG2-OD1 3.4Å; T42-N56 PolarHBondContact OG1-OD1 2.9Å; N56-Y96 HydrophobicContact CB-CD1 3.7Å; N56-Y96 HydrophobicContact CB-CD2 3.95Å; N56-Y96 HydrophobicContact CB-CE1 3.71Å; N56-Y96 HydrophobicContact CB-CE2 3.94Å; N56-Y96 HydrophobicContact CB-CG 3.83Å
57	D	94.8	Very high	92.4	Very high	35 Å²	35	56.1 Å²	56.1	19%	0.187	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	145.5	-178.5	75.5	-83	0	0	0	112.8	A17 A40 A41	A17-D57 CarbonylContact O-C 3.53Å; A17-D57 VanDerWaalsContact O-CA 3.27Å; A17-D57 WeakPolarHBondContact O-CA 3.49Å; A40-D57 CarbonylContact C-O 3.6Å; A40-D57 WeakPolarHBondContact CA-O 3.02Å; A41-D57 WeakPolarHBondContact CB-OD1 3.33Å; A41-D57 PolarHBondContact N-O 2.78Å; A41-D57 PolarHBondContact O-N 2.03Å
58	K	96.7	Very high	92.4	Very high	17 Å²	17	54.1 Å²	54.1	7%	0.074	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	129.6	166.5	-69.2	-169.7	-173.9	-172.3	0	107.5	E15 C16 A17 S39 A40 N91 A92 I94 Y96	E15-K58 HydrophobicContact CB-CD 4.29Å; E15-K58 HydrophobicContact CG-CD 4.24Å; E15-K58 CarbonylContact O-C 3.58Å; E15-K58 WeakPolarHBondContact O-CB 3.35Å; E15-K58 VanDerWaalsContact OE2-CD 3.27Å; E15-K58 WeakPolarHBondContact OE2-CD 3.34Å; E15-K58 IonicContact OE2-NZ 3.83Å; E15-K58 PolarHBondContact OE2-NZ 2.82Å; C16-K58 WeakPolarHBondContact CA-O 3.39Å; A17-K58 HydrophobicContact CB-CB 4.19Å; A17-K58 HydrophobicContact CB-CD 4.48Å; A17-K58 HydrophobicContact CB-CG 4.43Å; A17-K58 PolarHBondContact N-O 2.8Å; A17-K58 PolarHBondContact O-N 2.81Å; S39-K58 VanDerWaalsContact O-CA 3.22Å; S39-K58 WeakPolarHBondContact O-CA 3.48Å; A40-K58 HydrophobicContact CB-CD 4.48Å; A40-K58 HydrophobicContact CB-CG 3.9Å; K58-N91 WeakPolarHBondContact CE-O 3.1Å; K58-N91 PolarHBondContact NZ-O 2.98Å; K58-A92 PolarHBondContact NZ-O 3.04Å; K58-I94 WeakPolarHBondContact CE-O 3.36Å; K58-I94 PolarHBondContact NZ-O 3.03Å; K58-Y96 HydrophobicContact CG-CE1 3.79Å
59	S	95.4	Very high	92.5	Very high	28 Å²	28	52.7 Å²	52.7	20%	0.196	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-161.6	174.1	-174	65.5	0	0	0	0	112.6	S39	S39-S59 PolarHBondContact N-O 3.28Å; S39-S59 PolarHBondContact O-N 3.47Å; S39-S59 PolarHBondContact OG-N 2.9Å; S39-S59 PolarHBondContact OG-O 3.02Å; S39-S59 PolarHBondContact OG-OG 3.12Å
60	C	95.4	Very high	92.9	Very high	23 Å²	23	49.9 Å²	49.9	16%	0.155	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	122.7	163.6	-67.1	0	0	0	0	109.4	I29 C31 Y36 R37	I29-C60 HydrophobicContact CD1-CB 4.32Å; C31-C60 WeakPolarHBondContact CA-SG 3.3Å; C31-C60 HydrophobicContact CB-CB 3.76Å; C31-C60 WeakPolarHBondContact CB-SG 3.36Å; C31-C60 WeakPolarHBondContact SG-CB 2.92Å; C31-C60 CovalentContact SG-SG 2.05Å; C31-C60 PolarHBondContact SG-SG 3.22Å; Y36-C60 HydrophobicContact CD1-CB 3.76Å; Y36-C60 HydrophobicContact CE1-CB 4.43Å; Y36-C60 HydrophobicContact CG-CB 4.48Å; R37-C60 WeakPolarHBondContact O-CA 3.44Å
61	V	94.1	Very high	93.1	Very high	22 Å²	22	47.4 Å²	47.4	13%	0.133	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	153.9	174.1	-61.2	0	0	0	0	110.9	Y36 R37 S39 L65	Y36-V61 CarbonylContact C-O 3.52Å; Y36-V61 WeakPolarHBondContact CA-O 3.36Å; Y36-V61 VanDerWaalsContact CD1-C 3.42Å; Y36-V61 WeakPolarHBondContact CD1-O 3.32Å; R37-V61 PolarHBondContact N-O 2.73Å; R37-V61 PolarHBondContact O-N 3.08Å; S39-V61 WeakPolarHBondContact OG-CG1 3.39Å; V61-L65 HydrophobicContact CB-CB 4.38Å
62	L	91.8	Very high	93.3	Very high	51 Å²	51	42.7 Å²	42.7	27%	0.267	23%	0.227	S	C	.	.			trans	-67.9	147.8	163.5	-69.5	169.1	0	0	0	109.5	Y36 E64 L65 C66	Y36-L62 HydrophobicContact CD2-CD2 4.05Å; Y36-L62 HydrophobicContact CE1-CD2 4.39Å; Y36-L62 HydrophobicContact CE1-CG 4.2Å; Y36-L62 HydrophobicContact CE2-CD2 3.78Å; Y36-L62 HydrophobicContact CE2-CG 4.41Å; Y36-L62 HydrophobicContact CG-CD2 4.45Å; L62-E64 VanDerWaalsContact CB-OE2 3.28Å; L62-E64 WeakPolarHBondContact CB-OE2 3.34Å; L62-E64 PolarHBondContact O-N 3.46Å; L62-E64 VanDerWaalsContact O-N 3.08Å; L62-L65 HydrophobicContact CB-CD1 4.49Å; L62-L65 HydrophobicContact CB-CG 4.44Å; L62-L65 PolarHBondContact O-N 3.04Å; L62-C66 PolarHBondContact O-N 3.25Å
63	P	88.9	Confident	93.3	Very high	40 Å²	40	40 Å²	40	26%	0.26	21%	0.214	S	C	.	.	G	3₁₀ helix	trans	-52.4	-34.2	176.2	-25.4	30.8	0	0	0	112.2	N35 R37 L65 C66	N35-P63 WeakPolarHBondContact O-CD 3.2Å; N35-P63 WeakPolarHBondContact O-CG 3.34Å; R37-P63 HydrophobicContact CG-CG 4.11Å; P63-L65 PolarHBondContact O-N 2.93Å; P63-C66 WeakPolarHBondContact O-CB 3.38Å; P63-C66 PolarHBondContact O-N 2.89Å
64	E	84.6	Confident	93.3	Very high	73 Å²	73	39.2 Å²	39.2	34%	0.341	21%	0.213	S	C	.	.	G	3₁₀ helix	trans	-66.8	-16.7	177.4	-50.2	86.3	-124.7	0	0	114.8	L62 L67 K157	L62-E64 VanDerWaalsContact CB-OE2 3.28Å; L62-E64 WeakPolarHBondContact CB-OE2 3.34Å; L62-E64 PolarHBondContact O-N 3.46Å; L62-E64 VanDerWaalsContact O-N 3.08Å; E64-L67 WeakPolarHBondContact O-CD1 3.07Å; E64-L67 VanDerWaalsContact O-CG 3.3Å; E64-L67 WeakPolarHBondContact O-CG 3.48Å; E64-K157 VanDerWaalsContact CB-NZ 3.31Å
65	L	86.1	Confident	93.1	Very high	90 Å²	90	38.5 Å²	38.5	47%	0.471	22%	0.22	S	C	.	.	G	3₁₀ helix	trans	-103.8	-1	178.9	-60.8	178	0	0	0	112.1	V61 L62 P63 L67	V61-L65 HydrophobicContact CB-CB 4.38Å; L62-L65 HydrophobicContact CB-CD1 4.49Å; L62-L65 HydrophobicContact CB-CG 4.44Å; L62-L65 PolarHBondContact O-N 3.04Å; P63-L65 PolarHBondContact O-N 2.93Å; L65-L67 VanDerWaalsContact C-N 3.28Å; L65-L67 PolarHBondContact O-N 2.95Å
66	C	91.9	Very high	93.2	Very high	33 Å²	33	39.5 Å²	39.5	22%	0.223	22%	0.221	C	C	.	.			trans	-80.2	77.6	171.4	-167.2	0	0	0	0	110.5	L62 P63 C84	L62-C66 PolarHBondContact O-N 3.25Å; P63-C66 WeakPolarHBondContact O-CB 3.38Å; P63-C66 PolarHBondContact O-N 2.89Å; C66-C84 HydrophobicContact CB-CB 3.86Å; C66-C84 WeakPolarHBondContact CB-SG 3.48Å; C66-C84 WeakPolarHBondContact SG-CB 3.07Å; C66-C84 CovalentContact SG-SG 2Å; C66-C84 PolarHBondContact SG-SG 2.79Å
67	L	90.6	Very high	93.2	Very high	49 Å²	49	38.8 Å²	38.8	26%	0.257	22%	0.216	S	C	.	.			trans	-135.9	145.6	-162.8	-70.9	-179.9	0	0	0	112.9	E64 L65 S82 L152	E64-L67 WeakPolarHBondContact O-CD1 3.07Å; E64-L67 VanDerWaalsContact O-CG 3.3Å; E64-L67 WeakPolarHBondContact O-CG 3.48Å; L65-L67 VanDerWaalsContact C-N 3.28Å; L65-L67 PolarHBondContact O-N 2.95Å; L67-S82 PolarHBondContact N-OG 3.05Å; L67-S82 PolarHBondContact O-OG 2.86Å; L67-S82 VanDerWaalsContact O-OG 3.08Å; L67-L152 HydrophobicContact CB-CD2 3.46Å; L67-L152 VanDerWaalsContact CB-CD2 3.46Å; L67-L152 HydrophobicContact CD1-CD1 3.84Å; L67-L152 HydrophobicContact CD1-CD2 3.68Å; L67-L152 HydrophobicContact CD1-CG 4.12Å; L67-L152 HydrophobicContact CD2-CD1 3.65Å; L67-L152 HydrophobicContact CD2-CD2 3.76Å; L67-L152 HydrophobicContact CD2-CG 4.31Å; L67-L152 HydrophobicContact CG-CD1 4.28Å; L67-L152 HydrophobicContact CG-CD2 3.79Å
68	D	93.1	Very high	93.2	Very high	62 Å²	62	38.6 Å²	38.6	33%	0.332	22%	0.215	S	C	.	.			trans	-104	124.2	170.7	-72.1	-4.3	0	0	0	109	Q80 K81 S82 L152	D68-Q80 WeakPolarHBondContact CA-O 3.35Å; D68-K81 HydrophobicContact CB-CD 3.85Å; D68-K81 VanDerWaalsContact OD1-CA 3.29Å; D68-K81 WeakPolarHBondContact OD1-CA 3.27Å; D68-K81 WeakPolarHBondContact OD1-CD 3.41Å; D68-K81 WeakPolarHBondContact OD2-CD 3.27Å; D68-K81 WeakPolarHBondContact OD2-CE 3.33Å; D68-K81 IonicContact OD2-NZ 3.8Å; D68-K81 PolarHBondContact OD2-NZ 2.95Å; D68-S82 PolarHBondContact OD1-N 3.47Å; D68-L152 WeakPolarHBondContact O-CD2 3.42Å
69	F	93.4	Very high	93.1	Very high	41 Å²	41	38.1 Å²	38.1	18%	0.18	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.8	154.9	178.9	68.9	-97.8	0	0	0	113	M78 V79 Q80 L152 V153	F69-M78 HydrophobicContact CE2-CG 4.05Å; F69-M78 HydrophobicContact CE2-SD 3.65Å; F69-M78 HydrophobicContact CZ-SD 3.82Å; F69-V79 CarbonylContact O-C 3.43Å; F69-V79 WeakPolarHBondContact O-CA 2.91Å; F69-Q80 HydrophobicContact CD1-CB 3.78Å; F69-Q80 HydrophobicContact CD1-CG 4.43Å; F69-Q80 HydrophobicContact CD2-CB 4.46Å; F69-Q80 HydrophobicContact CE1-CB 3.45Å; F69-Q80 VanDerWaalsContact CE1-CB 3.45Å; F69-Q80 HydrophobicContact CE1-CG 3.96Å; F69-Q80 HydrophobicContact CE2-CB 4.17Å; F69-Q80 HydrophobicContact CG-CB 4.28Å; F69-Q80 HydrophobicContact CZ-CB 3.65Å; F69-Q80 HydrophobicContact CZ-CG 4.45Å; F69-Q80 PolarHBondContact N-O 3.32Å; F69-Q80 PolarHBondContact O-N 2.7Å; F69-L152 HydrophobicContact CB-CD2 4Å; F69-V153 HydrophobicContact CB-CG2 3.83Å; F69-V153 HydrophobicContact CD2-CG2 4.28Å; F69-V153 HydrophobicContact CG-CG2 4.36Å
70	S	95.2	Very high	93.1	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	137.9	166.7	-164.8	0	0	0	0	110.4	M78 D127 E128 A149 S150	S70-M78 WeakPolarHBondContact CA-O 3.48Å; S70-D127 WeakPolarHBondContact CB-OD1 3.39Å; S70-E128 PolarHBondContact OG-OE1 2.8Å; S70-A149 WeakPolarHBondContact O-CA 3.2Å; S70-S150 PolarHBondContact N-OG 3.35Å; S70-S150 PolarHBondContact O-N 3.33Å; S70-S150 PolarHBondContact O-OG 3.42Å
71	V	95.6	Very high	93	Very high	10 Å²	10	39.9 Å²	39.9	6%	0.061	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	133.3	170.3	64.7	0	0	0	0	110.3	Y73 R77 M78 V132	V71-Y73 HydrophobicContact CG1-CE2 4.38Å; V71-Y73 HydrophobicContact CG2-CD1 4.36Å; V71-Y73 HydrophobicContact CG2-CD2 4.44Å; V71-Y73 HydrophobicContact CG2-CE1 3.73Å; V71-Y73 HydrophobicContact CG2-CE2 3.81Å; V71-Y73 VanDerWaalsContact CG2-CZ 3.41Å; V71-R77 CarbonylContact O-C 3.28Å; V71-R77 VanDerWaalsContact O-CA 3.29Å; V71-R77 WeakPolarHBondContact O-CA 3.48Å; V71-R77 WeakPolarHBondContact O-CG 3.35Å; V71-M78 HydrophobicContact CG1-CB 3.98Å; V71-M78 PolarHBondContact N-O 3.36Å; V71-M78 PolarHBondContact O-N 2.89Å; V71-V132 HydrophobicContact CG2-CG1 4.28Å
72	N	96.6	Very high	93.1	Very high	12 Å²	12	39.6 Å²	39.6	6%	0.064	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	105.4	-172.4	-178.5	-3.9	0	0	0	110.3	G74 R77 L122 E128 G147 C148	N72-G74 VanDerWaalsContact C-N 3.28Å; N72-G74 PolarHBondContact O-N 3.45Å; N72-G74 WeakPolarHBondContact OD1-CA 3.29Å; N72-G74 PolarHBondContact OD1-N 2.94Å; N72-R77 HydrophobicContact CB-CB 4.25Å; N72-R77 HydrophobicContact CB-CG 3.92Å; N72-L122 VanDerWaalsContact O-CD2 3.28Å; N72-L122 WeakPolarHBondContact O-CD2 3.23Å; N72-E128 WeakPolarHBondContact CB-OE1 3.36Å; N72-E128 VanDerWaalsContact CB-OE2 3.24Å; N72-E128 WeakPolarHBondContact CB-OE2 3.45Å; N72-E128 PolarHBondContact ND2-OE2 3.48Å; N72-E128 VanDerWaalsContact ND2-OE2 3.14Å; N72-G147 CarbonylContact O-C 3.59Å; N72-G147 WeakPolarHBondContact O-CA 3.46Å; N72-C148 HydrophobicContact CB-CB 4.32Å; N72-C148 PolarHBondContact N-O 2.92Å; N72-C148 PolarHBondContact O-N 3.34Å
73	Y	95.9	Very high	93.3	Very high	58 Å²	58	39.6 Å²	39.6	23%	0.227	22%	0.218	C	C	.	.			trans	-92	17.9	177.6	-58.1	-59.1	0	0	0	112.7	V71 A75 Y76 V132 V134 V145 K146	V71-Y73 HydrophobicContact CG1-CE2 4.38Å; V71-Y73 HydrophobicContact CG2-CD1 4.36Å; V71-Y73 HydrophobicContact CG2-CD2 4.44Å; V71-Y73 HydrophobicContact CG2-CE1 3.73Å; V71-Y73 HydrophobicContact CG2-CE2 3.81Å; V71-Y73 VanDerWaalsContact CG2-CZ 3.41Å; Y73-A75 PolarHBondContact O-N 3.16Å; Y73-Y76 AromaticContact CD2-CD1 3.96Å; Y73-Y76 HydrophobicContact CD2-CD1 3.96Å; Y73-Y76 PolarHBondContact N-O 3.08Å; Y73-V132 HydrophobicContact CD1-CG1 4.41Å; Y73-V132 HydrophobicContact CE1-CG1 3.89Å; Y73-V134 HydrophobicContact CE1-CG2 4.47Å; Y73-V145 HydrophobicContact CD1-CB 4.3Å; Y73-V145 HydrophobicContact CD1-CG2 4.15Å; Y73-V145 HydrophobicContact CE1-CG2 3.93Å; Y73-K146 WeakPolarHBondContact CA-O 3.41Å
74	G	94	Very high	93.7	Very high	28 Å²	28	39.3 Å²	39.3	29%	0.289	22%	0.217	S	C	.	.	S	Bend	trans	92.7	-85.9	-177.4	0	0	0	0	0	111.9	N72 Y76	N72-G74 VanDerWaalsContact C-N 3.28Å; N72-G74 PolarHBondContact O-N 3.45Å; N72-G74 WeakPolarHBondContact OD1-CA 3.29Å; N72-G74 PolarHBondContact OD1-N 2.94Å; G74-Y76 VanDerWaalsContact C-N 3.28Å; G74-Y76 PolarHBondContact O-N 2.96Å
75	A	92.3	Very high	94.2	Very high	63 Å²	63	37.1 Å²	37.1	52%	0.521	21%	0.209	S	C	.	.	S	Bend	trans	-70.1	-28.2	179.1	0	0	0	0	0	112.4	L47 G48 Y73	L47-A75 CarbonylContact C-O 3.53Å; L47-A75 VanDerWaalsContact CA-O 3.3Å; L47-A75 WeakPolarHBondContact CA-O 3.39Å; G48-A75 PolarHBondContact N-O 2.81Å; Y73-A75 PolarHBondContact O-N 3.16Å
76	Y	95	Very high	94.6	Very high	65 Å²	65	38 Å²	38	26%	0.255	22%	0.215	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	132.2	-179.8	178.9	-90.9	0	0	0	110.4	K45 F46 F52 Y73 G74 M78	K45-Y76 HydrophobicContact CB-CE2 4.38Å; K45-Y76 WeakPolarHBondContact CD-OH 3.49Å; F46-Y76 WeakPolarHBondContact O-CA 3.28Å; F52-Y76 HydrophobicContact CE1-CD2 4.23Å; F52-Y76 AromaticContact CE1-CE2 3.97Å; F52-Y76 HydrophobicContact CE1-CE2 3.97Å; F52-Y76 HydrophobicContact CZ-CD2 4.48Å; F52-Y76 AromaticContact CZ-CE2 3.89Å; F52-Y76 HydrophobicContact CZ-CE2 3.89Å; Y73-Y76 AromaticContact CD2-CD1 3.96Å; Y73-Y76 HydrophobicContact CD2-CD1 3.96Å; Y73-Y76 PolarHBondContact N-O 3.08Å; G74-Y76 VanDerWaalsContact C-N 3.28Å; G74-Y76 PolarHBondContact O-N 2.96Å; Y76-M78 HydrophobicContact CE1-CB 4.06Å; Y76-M78 HydrophobicContact CE1-CE 4.2Å; Y76-M78 WeakPolarHBondContact OH-CE 3.41Å
77	R	95.3	Very high	94.6	Very high	14 Å²	14	38.1 Å²	38.1	5%	0.053	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	142.5	173.9	179.8	179.8	-178	-141.3	-3.9	109.9	K45 F46 V71 N72 V79 V125 E128	K45-R77 CarbonylContact C-O 3.56Å; K45-R77 WeakPolarHBondContact CA-O 3.42Å; F46-R77 HydrophobicContact CB-CB 4.2Å; F46-R77 HydrophobicContact CD2-CB 4.25Å; F46-R77 HydrophobicContact CD2-CG 4.3Å; F46-R77 PolarHBondContact N-O 2.05Å; F46-R77 PolarHBondContact O-N 2.97Å; F46-R77 VanDerWaalsContact O-N 3.12Å; V71-R77 CarbonylContact O-C 3.28Å; V71-R77 VanDerWaalsContact O-CA 3.29Å; V71-R77 WeakPolarHBondContact O-CA 3.48Å; V71-R77 WeakPolarHBondContact O-CG 3.35Å; N72-R77 HydrophobicContact CB-CB 4.25Å; N72-R77 HydrophobicContact CB-CG 3.92Å; R77-V79 HydrophobicContact CG-CG2 4.24Å; R77-V125 VanDerWaalsContact CZ-CG2 3.46Å; R77-E128 IonicContact CZ-OE1 3.84Å; R77-E128 IonicContact NE-OE1 2.69Å; R77-E128 PolarHBondContact NE-OE1 3.37Å; R77-E128 IonicContact NH2-OE1 2.7Å; R77-E128 PolarHBondContact NH2-OE1 3.29Å
78	M	94.9	Very high	94.8	Very high	32 Å²	32	40.5 Å²	40.5	16%	0.158	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	131	175	-178.6	-170.3	-57.7	0	0	108.7	Q43 V44 K45 F69 S70 V71 Y76	Q43-M78 HydrophobicContact CG-CG 3.94Å; Q43-M78 HydrophobicContact CG-SD 4.22Å; V44-M78 WeakPolarHBondContact O-CA 3.38Å; K45-M78 HydrophobicContact CD-CE 4.47Å; K45-M78 HydrophobicContact CG-CG 4.28Å; F69-M78 HydrophobicContact CE2-CG 4.05Å; F69-M78 HydrophobicContact CE2-SD 3.65Å; F69-M78 HydrophobicContact CZ-SD 3.82Å; S70-M78 WeakPolarHBondContact CA-O 3.48Å; V71-M78 HydrophobicContact CG1-CB 3.98Å; V71-M78 PolarHBondContact N-O 3.36Å; V71-M78 PolarHBondContact O-N 2.89Å; Y76-M78 HydrophobicContact CE1-CB 4.06Å; Y76-M78 HydrophobicContact CE1-CE 4.2Å; Y76-M78 WeakPolarHBondContact OH-CE 3.41Å
79	V	95.1	Very high	94.9	Very high	7 Å²	7	41 Å²	41	4%	0.042	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	135.1	176	-166.4	0	0	0	0	108	Q43 V44 F46 F69 R77 P99	Q43-V79 CarbonylContact C-O 3.57Å; Q43-V79 WeakPolarHBondContact CA-O 2.99Å; V44-V79 PolarHBondContact N-O 3.31Å; V44-V79 PolarHBondContact O-N 2.89Å; F46-V79 HydrophobicContact CE2-CG2 4.03Å; F69-V79 CarbonylContact O-C 3.43Å; F69-V79 WeakPolarHBondContact O-CA 2.91Å; R77-V79 HydrophobicContact CG-CG2 4.24Å; V79-P99 HydrophobicContact CB-CB 4.25Å; V79-P99 HydrophobicContact CG1-CB 3.83Å
80	Q	94.4	Very high	95	Very high	28 Å²	28	40.7 Å²	40.7	13%	0.131	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	138.4	175.1	-176	170.2	-58.6	0	0	110.4	T42 Q43 D68 F69	T42-Q80 WeakPolarHBondContact O-CA 3.35Å; Q43-Q80 HydrophobicContact CB-CG 4.47Å; Q43-Q80 HydrophobicContact CG-CB 4.48Å; D68-Q80 WeakPolarHBondContact CA-O 3.35Å; F69-Q80 HydrophobicContact CD1-CB 3.78Å; F69-Q80 HydrophobicContact CD1-CG 4.43Å; F69-Q80 HydrophobicContact CD2-CB 4.46Å; F69-Q80 HydrophobicContact CE1-CB 3.45Å; F69-Q80 VanDerWaalsContact CE1-CB 3.45Å; F69-Q80 HydrophobicContact CE1-CG 3.96Å; F69-Q80 HydrophobicContact CE2-CB 4.17Å; F69-Q80 HydrophobicContact CG-CB 4.28Å; F69-Q80 HydrophobicContact CZ-CB 3.65Å; F69-Q80 HydrophobicContact CZ-CG 4.45Å; F69-Q80 PolarHBondContact N-O 3.32Å; F69-Q80 PolarHBondContact O-N 2.7Å
81	K	95.2	Very high	95.1	Very high	60 Å²	60	40.7 Å²	40.7	26%	0.261	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	142.2	166.2	-73	-64.2	-173.2	169.7	0	109.8	A41 T42 D68 P97 P99	A41-K81 CarbonylContact C-O 3.55Å; A41-K81 VanDerWaalsContact CA-O 3.28Å; A41-K81 WeakPolarHBondContact CA-O 3.39Å; T42-K81 PolarHBondContact N-O 3.04Å; T42-K81 PolarHBondContact O-N 3.21Å; D68-K81 HydrophobicContact CB-CD 3.85Å; D68-K81 VanDerWaalsContact OD1-CA 3.29Å; D68-K81 WeakPolarHBondContact OD1-CA 3.27Å; D68-K81 WeakPolarHBondContact OD1-CD 3.41Å; D68-K81 WeakPolarHBondContact OD2-CD 3.27Å; D68-K81 WeakPolarHBondContact OD2-CE 3.33Å; D68-K81 IonicContact OD2-NZ 3.8Å; D68-K81 PolarHBondContact OD2-NZ 2.95Å; K81-P97 HydrophobicContact CB-CB 3.72Å; K81-P99 HydrophobicContact CB-CG 4.23Å; K81-P99 HydrophobicContact CG-CB 4.1Å; K81-P99 HydrophobicContact CG-CG 4.15Å
82	S	95.5	Very high	95.1	Very high	15 Å²	15	42.2 Å²	42.2	11%	0.105	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	152.3	177.4	66.7	0	0	0	0	112.5	A40 L67 D68	A40-S82 WeakPolarHBondContact O-CA 3.4Å; L67-S82 PolarHBondContact N-OG 3.05Å; L67-S82 PolarHBondContact O-OG 2.86Å; L67-S82 VanDerWaalsContact O-OG 3.08Å; D68-S82 PolarHBondContact OD1-N 3.47Å
83	S	96.3	Very high	94.8	Very high	51 Å²	51	51 Å²	51	36%	0.357	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	132.2	173	-74.2	0	0	0	0	108	S39 A40	S39-S83 CarbonylContact C-O 3.55Å; S39-S83 WeakPolarHBondContact CA-O 3.3Å; A40-S83 PolarHBondContact N-O 2.94Å; A40-S83 PolarHBondContact O-N 2.88Å
84	C	96.3	Very high	94.6	Very high	35 Å²	35	50 Å²	50	24%	0.236	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	155.8	178.6	-48.1	0	0	0	0	112.2	R37 C38 C66	R37-C84 HydrophobicContact CB-CB 4.19Å; C38-C84 CarbonylContact O-C 3.57Å; C38-C84 WeakPolarHBondContact O-CA 3.43Å; C38-C84 VanDerWaalsContact O-CB 3.28Å; C38-C84 WeakPolarHBondContact O-CB 3.17Å; C66-C84 HydrophobicContact CB-CB 3.86Å; C66-C84 WeakPolarHBondContact CB-SG 3.48Å; C66-C84 WeakPolarHBondContact SG-CB 3.07Å; C66-C84 CovalentContact SG-SG 2Å; C66-C84 PolarHBondContact SG-SG 2.79Å
85	C	95.9	Very high	94.6	Very high	26 Å²	26	55.5 Å²	55.5	18%	0.176	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.2	158.7	-177.7	55.8	0	0	0	0	110.3	C38 C90 N91 I94	C38-C85 PolarHBondContact N-O 3.25Å; C38-C85 PolarHBondContact O-N 2.03Å; C85-C90 HydrophobicContact CB-CB 3.83Å; C85-C90 WeakPolarHBondContact CB-SG 3.33Å; C85-C90 PolarHBondContact O-SG 2.94Å; C85-C90 WeakPolarHBondContact SG-CB 3.47Å; C85-C90 CovalentContact SG-SG 2.03Å; C85-C90 PolarHBondContact SG-SG 3.33Å; C85-N91 PolarHBondContact SG-N 3.22Å; C85-I94 HydrophobicContact CB-CD1 4.16Å; C85-I94 VanDerWaalsContact SG-CD1 3.58Å
86	D	93.6	Very high	94.6	Very high	109 Å²	109	56 Å²	56	58%	0.583	30%	0.3	S	S	*	.			trans	-100.8	146.3	174.4	-53.1	-69	0	0	0	109.4	R37	R37-D86 WeakPolarHBondContact CD-OD1 3.45Å; R37-D86 WeakPolarHBondContact CG-OD1 3.19Å; R37-D86 IonicContact CZ-OD1 3.82Å; R37-D86 IonicContact NE-OD1 3.51Å; R37-D86 PolarHBondContact NE-OD1 2.87Å; R37-D86 IonicContact NE-OD2 2.84Å
87	G	92.6	Very high	94.4	Very high	35 Å²	35	54 Å²	54	36%	0.361	30%	0.295	S	S	.	.	S	Bend	trans	102.1	154.3	178.6	0	0	0	0	0	114.4	L12 I89 C90	L12-G87 WeakPolarHBondContact CD1-O 3.21Å; G87-I89 PolarHBondContact O-N 3.26Å; G87-C90 VanDerWaalsContact O-CB 3.31Å; G87-C90 WeakPolarHBondContact O-CB 3.27Å; G87-C90 PolarHBondContact O-N 3.21Å; G87-C90 PolarHBondContact O-SG 2.76Å
88	D	94.9	Very high	94.1	Very high	100 Å²	100	62.5 Å²	62.5	54%	0.535	33%	0.332	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.2	127.2	-170.5	-77.9	-10.6	0	0	0	112.7	K13 C90	K13-D88 PolarHBondContact N-OD1 3.46Å; K13-D88 CarbonylContact O-C 3.59Å; K13-D88 WeakPolarHBondContact O-CA 2.93Å; D88-C90 PolarHBondContact O-N 3.28Å
89	I	95.5	Very high	93.5	Very high	73 Å²	73	61.8 Å²	61.8	37%	0.374	33%	0.33	S	S	.	.	T	Hydrogen-bonded Turn	trans	58	22.2	173.3	-49.6	175	0	0	0	111.1	K13 E15 T28 G87 N91 A92	K13-I89 HydrophobicContact CB-CG1 4.48Å; K13-I89 PolarHBondContact O-N 2.9Å; E15-I89 HydrophobicContact CB-CG2 4.5Å; T28-I89 HydrophobicContact CG2-CD1 4.07Å; T28-I89 HydrophobicContact CG2-CG1 4.16Å; G87-I89 PolarHBondContact O-N 3.26Å; I89-N91 PolarHBondContact O-N 2.05Å; I89-N91 VanDerWaalsContact O-N 3.17Å; I89-A92 HydrophobicContact CG2-CB 3.68Å; I89-A92 VanDerWaalsContact O-CB 3.28Å; I89-A92 WeakPolarHBondContact O-CB 3.46Å; I89-A92 PolarHBondContact O-N 3.26Å
90	C	96.1	Very high	92.5	Very high	33 Å²	33	65.2 Å²	65.2	22%	0.223	35%	0.348	C	S	.	.	G	3₁₀ helix	trans	-62.4	-29.2	-175.9	66.3	0	0	0	0	112.4	C38 C85 G87 D88 A92	C38-C90 VanDerWaalsContact CB-SG 3.57Å; C85-C90 HydrophobicContact CB-CB 3.83Å; C85-C90 WeakPolarHBondContact CB-SG 3.33Å; C85-C90 PolarHBondContact O-SG 2.94Å; C85-C90 WeakPolarHBondContact SG-CB 3.47Å; C85-C90 CovalentContact SG-SG 2.03Å; C85-C90 PolarHBondContact SG-SG 3.33Å; G87-C90 VanDerWaalsContact O-CB 3.31Å; G87-C90 WeakPolarHBondContact O-CB 3.27Å; G87-C90 PolarHBondContact O-N 3.21Å; G87-C90 PolarHBondContact O-SG 2.76Å; D88-C90 PolarHBondContact O-N 3.28Å; C90-A92 PolarHBondContact O-N 3.37Å
91	N	96.6	Very high	91.2	Very high	0 Å²	0	66.8 Å²	66.8	0%	0	36%	0.357	C	S	.	.	G	3₁₀ helix	trans	-72.1	-8	178.2	65.8	-24.5	0	0	0	113.5	E15 C38 S39 K58 C85 I89 K93 I94	E15-N91 WeakPolarHBondContact CB-OD1 3.36Å; E15-N91 PolarHBondContact N-OD1 2.62Å; E15-N91 PolarHBondContact O-ND2 3.39Å; C38-N91 HydrophobicContact CB-CB 3.67Å; S39-N91 WeakPolarHBondContact O-CB 3.37Å; S39-N91 PolarHBondContact O-ND2 2.86Å; K58-N91 WeakPolarHBondContact CE-O 3.1Å; K58-N91 PolarHBondContact NZ-O 2.98Å; C85-N91 PolarHBondContact SG-N 3.22Å; I89-N91 PolarHBondContact O-N 2.05Å; I89-N91 VanDerWaalsContact O-N 3.17Å; N91-K93 PolarHBondContact O-N 3.49Å; N91-I94 HydrophobicContact CB-CD1 4.32Å; N91-I94 PolarHBondContact O-N 3.49Å; N91-I94 VanDerWaalsContact O-N 3.16Å
92	A	94.9	Very high	90	Very high	42 Å²	42	69.2 Å²	69.2	35%	0.347	37%	0.368	S	S	.	.	G	3₁₀ helix	trans	-63.1	-30.5	177.2	0	0	0	0	0	113.5	E15 K58 I89 C90	E15-A92 HydrophobicContact CB-CB 4.5Å; E15-A92 VanDerWaalsContact OE2-CA 3.23Å; E15-A92 WeakPolarHBondContact OE2-CA 3.05Å; K58-A92 PolarHBondContact NZ-O 3.04Å; I89-A92 HydrophobicContact CG2-CB 3.68Å; I89-A92 VanDerWaalsContact O-CB 3.28Å; I89-A92 WeakPolarHBondContact O-CB 3.46Å; I89-A92 PolarHBondContact O-N 3.26Å; C90-A92 PolarHBondContact O-N 3.37Å
93	K	89.9	Confident	89.3	Confident	197 Å²	197	74.5 Å²	74.5	86%	0.857	39%	0.394	S	S	*	.	G	3₁₀ helix	trans	-90.7	-3.4	179	-59.2	-178.2	-176	177.4	0	113.6	N91	N91-K93 PolarHBondContact O-N 3.49Å
94	I	92.4	Very high	88.9	Confident	36 Å²	36	76 Å²	76	19%	0.185	40%	0.401	C	S	.	.	P	Polyproline II helix	trans	-87.7	119.6	-179.2	-58.4	-178.6	0	0	0	108	A40 K58 C85 N91	A40-I94 HydrophobicContact CB-CB 4.01Å; A40-I94 HydrophobicContact CB-CG2 3.61Å; K58-I94 WeakPolarHBondContact CE-O 3.36Å; K58-I94 PolarHBondContact NZ-O 3.03Å; C85-I94 HydrophobicContact CB-CD1 4.16Å; C85-I94 VanDerWaalsContact SG-CD1 3.58Å; N91-I94 HydrophobicContact CB-CD1 4.32Å; N91-I94 PolarHBondContact O-N 3.49Å; N91-I94 VanDerWaalsContact O-N 3.16Å
95	D	93.8	Very high	88.6	Confident	144 Å²	144	79 Å²	79	77%	0.77	42%	0.42	S	S	*	.	P	Polyproline II helix	trans	-69.2	148.1	166.9	-71.1	-38	0	0	0	110.1	P97	D95-P97 VanDerWaalsContact O-CD 3.27Å; D95-P97 WeakPolarHBondContact O-CD 3.24Å; D95-P97 VanDerWaalsContact O-N 3.14Å
96	Y	93.4	Very high	88.4	Confident	74 Å²	74	79.3 Å²	79.3	29%	0.29	42%	0.423	S	S	.	.	P	Polyproline II helix	trans	-57.9	117.8	174.8	-70.6	-61.9	0	0	0	110.6	A17 A40 T42 N56 K58 K98	A17-Y96 WeakPolarHBondContact CB-OH 3.31Å; A40-Y96 HydrophobicContact CB-CD1 4.48Å; T42-Y96 WeakPolarHBondContact OG1-CB 3.32Å; N56-Y96 HydrophobicContact CB-CD1 3.7Å; N56-Y96 HydrophobicContact CB-CD2 3.95Å; N56-Y96 HydrophobicContact CB-CE1 3.71Å; N56-Y96 HydrophobicContact CB-CE2 3.94Å; N56-Y96 HydrophobicContact CB-CG 3.83Å; K58-Y96 HydrophobicContact CG-CE1 3.79Å; Y96-K98 PolarHBondContact O-N 3.26Å
97	P	89.6	Confident	88.3	Confident	23 Å²	23	76.9 Å²	76.9	15%	0.149	42%	0.424	C	S	.	.	P	Polyproline II helix	trans	-61.8	128.3	-179.6	-22.7	34.3	0	0	0	109.8	T42 K81 D95 P99	T42-P97 WeakPolarHBondContact CB-O 3.43Å; T42-P97 PolarHBondContact OG1-O 2.89Å; K81-P97 HydrophobicContact CB-CB 3.72Å; D95-P97 VanDerWaalsContact O-CD 3.27Å; D95-P97 WeakPolarHBondContact O-CD 3.24Å; D95-P97 VanDerWaalsContact O-N 3.14Å; P97-P99 VanDerWaalsContact O-CD 3.24Å; P97-P99 WeakPolarHBondContact O-CD 3.08Å
98	K	88.3	Confident	88.5	Confident	192 Å²	192	77.5 Å²	77.5	84%	0.835	42%	0.415	S	S	*	.	P	Polyproline II helix	trans	-83.6	118.1	178.7	-64.8	-177.8	-176.5	177.1	0	109.8	Y96 D100	Y96-K98 PolarHBondContact O-N 3.26Å; K98-D100 PolarHBondContact O-N 2.87Å
99	P	82.6	Confident	88.6	Confident	17 Å²	17	76.4 Å²	76.4	11%	0.11	41%	0.405	C	S	.	.	P	Polyproline II helix	trans	-59.6	139.9	171.2	-24.4	38.5	0	0	0	110.4	T42 V44 V79 K81 P97 D101	T42-P99 HydrophobicContact CG2-CG 3.84Å; V44-P99 HydrophobicContact CG2-CB 4.38Å; V44-P99 HydrophobicContact CG2-CG 3.84Å; V79-P99 HydrophobicContact CB-CB 4.25Å; V79-P99 HydrophobicContact CG1-CB 3.83Å; K81-P99 HydrophobicContact CB-CG 4.23Å; K81-P99 HydrophobicContact CG-CB 4.1Å; K81-P99 HydrophobicContact CG-CG 4.15Å; P97-P99 VanDerWaalsContact O-CD 3.24Å; P97-P99 WeakPolarHBondContact O-CD 3.08Å; P99-D101 PolarHBondContact O-N 3.47Å
100	D	74	Confident	88.7	Confident	79 Å²	79	72.9 Å²	72.9	42%	0.422	39%	0.388	S	S	.	.			trans	-82	103.3	173.2	-164.9	-12.3	0	0	0	107.9	K98 K102	K98-D100 PolarHBondContact O-N 2.87Å; D100-K102 PolarHBondContact O-N 3.24Å; D100-K102 VanDerWaalsContact O-N 3.09Å; D100-K102 WeakPolarHBondContact OD1-CB 3.46Å; D100-K102 WeakPolarHBondContact OD1-CD 3.15Å; D100-K102 WeakPolarHBondContact OD1-CE 3.45Å; D100-K102 WeakPolarHBondContact OD1-CG 3.31Å; D100-K102 PolarHBondContact OD1-N 2.65Å; D100-K102 WeakPolarHBondContact OD2-CD 3.38Å; D100-K102 WeakPolarHBondContact OD2-CE 3.43Å; D100-K102 IonicContact OD2-NZ 2.91Å; D100-K102 PolarHBondContact OD2-NZ 2.84Å
101	D	67.9	Low	88.8	Confident	61 Å²	61	72.9 Å²	72.9	33%	0.326	38%	0.384	S	S	.	.			trans	-75	7.6	-178.9	-64.1	-15.7	0	0	0	112.6	F46 P99 L103	F46-D101 HydrophobicContact CZ-CB 4.13Å; F46-D101 VanDerWaalsContact CZ-CG 3.46Å; F46-D101 WeakPolarHBondContact CZ-OD1 3.49Å; P99-D101 PolarHBondContact O-N 3.47Å; D101-L103 PolarHBondContact O-N 3.37Å
102	K	70.4	Confident	88.8	Confident	112 Å²	112	73 Å²	73	49%	0.487	39%	0.385	S	S	.	.			trans	-37.7	115	180	-96.5	170.7	-155.2	157.3	0	111.8	D100 T104	D100-K102 PolarHBondContact O-N 3.24Å; D100-K102 VanDerWaalsContact O-N 3.09Å; D100-K102 WeakPolarHBondContact OD1-CB 3.46Å; D100-K102 WeakPolarHBondContact OD1-CD 3.15Å; D100-K102 WeakPolarHBondContact OD1-CE 3.45Å; D100-K102 WeakPolarHBondContact OD1-CG 3.31Å; D100-K102 PolarHBondContact OD1-N 2.65Å; D100-K102 WeakPolarHBondContact OD2-CD 3.38Å; D100-K102 WeakPolarHBondContact OD2-CE 3.43Å; D100-K102 IonicContact OD2-NZ 2.91Å; D100-K102 PolarHBondContact OD2-NZ 2.84Å; K102-T104 PolarHBondContact O-N 3.32Å
103	L	79.9	Confident	88.7	Confident	126 Å²	126	72.1 Å²	72.1	66%	0.66	38%	0.376	S	S	*	.			trans	-86.2	16.3	166.7	-59.6	177.2	0	0	0	111.1	D101 P105	D101-L103 PolarHBondContact O-N 3.37Å; L103-P105 WeakPolarHBondContact O-CD 3.2Å
104	T	88.1	Confident	88.8	Confident	82 Å²	82	67.4 Å²	67.4	50%	0.503	36%	0.363	S	S	.	.			trans	-61.6	124.9	174.1	-52.3	0	0	0	0	108.3	K102 S106 V125 G126	K102-T104 PolarHBondContact O-N 3.32Å; T104-S106 PolarHBondContact O-N 3.04Å; T104-V125 CarbonylContact O-C 3.57Å; T104-V125 VanDerWaalsContact O-CA 3.23Å; T104-V125 WeakPolarHBondContact O-CA 3.34Å; T104-V125 WeakPolarHBondContact O-CB 3.41Å; T104-G126 PolarHBondContact O-N 3.1Å
105	P	90.9	Very high	88.5	Confident	98 Å²	98	69 Å²	69	64%	0.636	39%	0.389	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-57.1	132.3	178.4	-25.3	34.5	0	0	0	111.2	L103 C124	L103-P105 WeakPolarHBondContact O-CD 3.2Å; P105-C124 WeakPolarHBondContact CA-O 3.41Å
106	S	91.4	Very high	88.1	Confident	33 Å²	33	71.6 Å²	71.6	23%	0.231	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	-13.9	171.5	69.7	0	0	0	0	112	T104 R108 C124 G126 E128	T104-S106 PolarHBondContact O-N 3.04Å; S106-R108 VanDerWaalsContact C-N 3.29Å; S106-R108 PolarHBondContact OG-N 2.84Å; S106-C124 PolarHBondContact N-O 2.99Å; S106-C124 WeakPolarHBondContact OG-CB 3.26Å; S106-C124 PolarHBondContact OG-O 3.29Å; S106-G126 VanDerWaalsContact CB-O 3.31Å; S106-G126 WeakPolarHBondContact CB-O 3.37Å; S106-E128 PolarHBondContact OG-O 3.5Å; S106-E128 VanDerWaalsContact OG-O 3.04Å
107	G	91.5	Very high	87.9	Confident	58 Å²	58	72.7 Å²	72.7	60%	0.598	41%	0.407	S	S	*	.	E	Extended strand (participates in β ladder)	trans	86.8	-7.4	-172.9	0	0	0	0	0	113.6
108	R	95.6	Very high	88	Confident	48 Å²	48	72.5 Å²	72.5	18%	0.181	41%	0.406	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	141.3	173.8	-178	63.9	60.4	-138.5	-5.6	110.9	S106 C124 N129 D176	S106-R108 VanDerWaalsContact C-N 3.29Å; S106-R108 PolarHBondContact OG-N 2.84Å; R108-C124 HydrophobicContact CB-CB 3.91Å; R108-C124 HydrophobicContact CG-CB 4.35Å; R108-C124 VanDerWaalsContact O-CB 3.3Å; R108-C124 WeakPolarHBondContact O-CB 3.29Å; R108-C124 PolarHBondContact O-N 2.94Å; R108-C124 PolarHBondContact O-SG 3.28Å; R108-C124 VanDerWaalsContact O-SG 3.33Å; R108-N129 PolarHBondContact NE-O 2.97Å; R108-D176 IonicContact CZ-OD1 2.68Å; R108-D176 IonicContact NH1-OD1 2.8Å; R108-D176 PolarHBondContact NH1-OD1 3.43Å
109	K	97.5	Very high	88.3	Confident	76 Å²	76	70 Å²	70	33%	0.33	40%	0.399	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	133.5	172.3	-63.8	170.8	177.3	-76	0	110	L122 D123 D176 Y177	K109-L122 WeakPolarHBondContact CA-O 3.01Å; K109-D123 IonicContact NZ-OD1 2.65Å; K109-D123 PolarHBondContact NZ-OD1 3.25Å; K109-D176 HydrophobicContact CB-CB 4.38Å; K109-D176 PolarHBondContact N-OD1 2.86Å; K109-D176 CarbonylContact O-C 3.55Å; K109-D176 VanDerWaalsContact O-CA 3.31Å; K109-D176 WeakPolarHBondContact O-CA 3.28Å; K109-Y177 HydrophobicContact CB-CD1 4.39Å; K109-Y177 HydrophobicContact CB-CE1 3.75Å; K109-Y177 HydrophobicContact CB-CE2 4.03Å; K109-Y177 HydrophobicContact CD-CE2 4.29Å; K109-Y177 WeakPolarHBondContact CD-OH 3.03Å; K109-Y177 PolarHBondContact O-N 2.94Å
110	C	98.1	Very high	88.9	Confident	0 Å²	0	75 Å²	75	0%	0	42%	0.419	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	170.3	-179.7	-61.5	0	0	0	0	111.1	L122 C124 C131 G147	C110-L122 PolarHBondContact N-O 2.92Å; C110-L122 PolarHBondContact O-N 3.34Å; C110-C124 PolarHBondContact SG-SG 2.87Å; C110-C131 VanDerWaalsContact CA-SG 3.54Å; C110-C131 HydrophobicContact CB-CB 3.78Å; C110-C131 WeakPolarHBondContact CB-SG 3.46Å; C110-C131 WeakPolarHBondContact SG-CA 3.37Å; C110-C131 WeakPolarHBondContact SG-CB 3.25Å; C110-C131 CovalentContact SG-SG 2.03Å; C110-C131 PolarHBondContact SG-SG 2.85Å; C110-G147 WeakPolarHBondContact CB-O 3.19Å
111	F	97.6	Very high	89.9	Confident	32 Å²	32	74.7 Å²	74.7	14%	0.14	42%	0.421	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	151.3	164.9	-68.1	-62.5	0	0	0	111.5	M119 K120 T121 K146 G147 Y177 N179	F111-M119 VanDerWaalsContact CD1-O 3.29Å; F111-M119 WeakPolarHBondContact CD1-O 3.46Å; F111-M119 WeakPolarHBondContact CE1-O 3.45Å; F111-K120 CarbonylContact C-O 3.47Å; F111-K120 VanDerWaalsContact CA-O 3.25Å; F111-K120 WeakPolarHBondContact CA-O 3.36Å; F111-T121 HydrophobicContact CD1-CG2 4.46Å; F111-T121 HydrophobicContact CE1-CG2 4.16Å; F111-K146 HydrophobicContact CB-CD 3.99Å; F111-K146 CarbonylContact O-C 3.44Å; F111-K146 WeakPolarHBondContact O-CB 3.42Å; F111-G147 WeakPolarHBondContact O-CA 3.43Å; F111-G147 PolarHBondContact O-N 3.05Å; F111-G147 VanDerWaalsContact O-N 3.13Å; F111-Y177 HydrophobicContact CD1-CD1 4.15Å; F111-Y177 HydrophobicContact CD2-CD1 4.29Å; F111-Y177 AromaticContact CE1-CD1 3.93Å; F111-Y177 HydrophobicContact CE1-CD1 3.93Å; F111-Y177 HydrophobicContact CE1-CE1 4.46Å; F111-Y177 HydrophobicContact CE2-CD1 4.11Å; F111-Y177 HydrophobicContact CE2-CG 4.15Å; F111-Y177 HydrophobicContact CG-CD1 4.32Å; F111-Y177 AromaticContact CZ-CD1 3.92Å; F111-Y177 HydrophobicContact CZ-CD1 3.92Å; F111-Y177 HydrophobicContact CZ-CG 4.09Å; F111-N179 WeakPolarHBondContact CB-OD1 3.44Å; F111-N179 PolarHBondContact N-OD1 2.95Å; F111-N179 PolarHBondContact O-ND2 2.82Å
112	S	96.4	Very high	91.3	Very high	4 Å²	4	72.9 Å²	72.9	3%	0.028	41%	0.411	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	173.1	170.7	65.2	0	0	0	0	110.6	C118 K120 K146	S112-C118 CarbonylContact O-C 3.52Å; S112-C118 VanDerWaalsContact O-C 3.28Å; S112-C118 WeakPolarHBondContact O-CA 3.29Å; S112-K120 PolarHBondContact N-O 2.91Å; S112-K120 PolarHBondContact O-N 2.68Å; S112-K120 PolarHBondContact OG-O 2.03Å; S112-K146 WeakPolarHBondContact CA-O 3.22Å
113	C	94	Very high	92.5	Very high	22 Å²	22	71.8 Å²	71.8	15%	0.149	41%	0.41	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	139.1	-178.8	-54.6	0	0	0	0	112	N117 C118 T144	C113-N117 CarbonylContact C-O 3.46Å; C113-N117 VanDerWaalsContact CA-O 3.26Å; C113-N117 WeakPolarHBondContact CA-O 3.18Å; C113-C118 HydrophobicContact CB-CB 4.11Å; C113-C118 WeakPolarHBondContact CB-SG 3.47Å; C113-C118 VanDerWaalsContact SG-CA 3.58Å; C113-C118 WeakPolarHBondContact SG-CB 3.42Å; C113-C118 CovalentContact SG-SG 2.05Å; C113-C118 PolarHBondContact SG-SG 2.83Å; C113-T144 PolarHBondContact SG-O 3.08Å; C113-T144 VanDerWaalsContact SG-O 3.41Å
114	V	90.4	Very high	93.3	Very high	98 Å²	98	65.8 Å²	65.8	59%	0.594	38%	0.379	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-125.9	105.7	167.6	-178.7	0	0	0	0	107.1	E116 N117 K120	V114-E116 PolarHBondContact O-N 3.24Å; V114-N117 PolarHBondContact N-O 2.6Å; V114-N117 PolarHBondContact O-N 2.88Å; V114-N117 VanDerWaalsContact O-N 3.13Å; V114-K120 HydrophobicContact CG2-CB 4.22Å; V114-K120 HydrophobicContact CG2-CG 4.24Å
115	G	86.4	Confident	93.6	Very high	71 Å²	71	62.6 Å²	62.6	73%	0.732	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.3	-131.6	-164.8	0	0	0	0	0	110.3	N117	G115-N117 VanDerWaalsContact C-N 3.31Å
116	E	85.3	Confident	93.7	Very high	197 Å²	197	59.6 Å²	59.6	92%	0.921	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.8	-13.2	177.3	-60.2	-177	163.7	0	0	113.3	V114 C118	V114-E116 PolarHBondContact O-N 3.24Å; E116-C118 PolarHBondContact O-N 2.83Å
117	N	89.3	Confident	93.8	Very high	97 Å²	97	61.2 Å²	61.2	52%	0.519	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	104	-179.5	-176.4	-15.8	0	0	0	111	C113 V114 G115 M119	C113-N117 CarbonylContact C-O 3.46Å; C113-N117 VanDerWaalsContact CA-O 3.26Å; C113-N117 WeakPolarHBondContact CA-O 3.18Å; V114-N117 PolarHBondContact N-O 2.6Å; V114-N117 PolarHBondContact O-N 2.88Å; V114-N117 VanDerWaalsContact O-N 3.13Å; G115-N117 VanDerWaalsContact C-N 3.31Å; N117-M119 WeakPolarHBondContact OD1-CB 3.45Å; N117-M119 PolarHBondContact OD1-N 2.85Å
118	C	92.8	Very high	94	Very high	19 Å²	19	58.5 Å²	58.5	13%	0.128	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	33.7	-180	-70.9	0	0	0	0	114.7	S112 C113 E116 K146	S112-C118 CarbonylContact O-C 3.52Å; S112-C118 VanDerWaalsContact O-C 3.28Å; S112-C118 WeakPolarHBondContact O-CA 3.29Å; C113-C118 HydrophobicContact CB-CB 4.11Å; C113-C118 WeakPolarHBondContact CB-SG 3.47Å; C113-C118 VanDerWaalsContact SG-CA 3.58Å; C113-C118 WeakPolarHBondContact SG-CB 3.42Å; C113-C118 CovalentContact SG-SG 2.05Å; C113-C118 PolarHBondContact SG-SG 2.83Å; E116-C118 PolarHBondContact O-N 2.83Å; C118-K146 HydrophobicContact CB-CD 3.98Å; C118-K146 PolarHBondContact O-NZ 3.42Å
119	M	93.6	Very high	94	Very high	140 Å²	140	59.4 Å²	59.4	69%	0.69	33%	0.332	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-116.6	6.6	177.3	-61.8	-170.7	66.7	0	0	113.4	F111 N117 T121	F111-M119 VanDerWaalsContact CD1-O 3.29Å; F111-M119 WeakPolarHBondContact CD1-O 3.46Å; F111-M119 WeakPolarHBondContact CE1-O 3.45Å; N117-M119 WeakPolarHBondContact OD1-CB 3.45Å; N117-M119 PolarHBondContact OD1-N 2.85Å; M119-T121 PolarHBondContact O-N 3.37Å
120	K	95.6	Very high	94	Very high	122 Å²	122	58.1 Å²	58.1	53%	0.53	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.9	131.2	176.5	-177.8	62.5	179.1	-179.8	0	109.1	F111 S112 V114	F111-K120 CarbonylContact C-O 3.47Å; F111-K120 VanDerWaalsContact CA-O 3.25Å; F111-K120 WeakPolarHBondContact CA-O 3.36Å; S112-K120 PolarHBondContact N-O 2.91Å; S112-K120 PolarHBondContact O-N 2.68Å; S112-K120 PolarHBondContact OG-O 2.03Å; V114-K120 HydrophobicContact CG2-CB 4.22Å; V114-K120 HydrophobicContact CG2-CG 4.24Å
121	T	96.4	Very high	94	Very high	73 Å²	73	58.1 Å²	58.1	45%	0.448	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	144.6	175.3	55.7	0	0	0	0	110.7	F111 M119 Y177	F111-T121 HydrophobicContact CD1-CG2 4.46Å; F111-T121 HydrophobicContact CE1-CG2 4.16Å; M119-T121 PolarHBondContact O-N 3.37Å; T121-Y177 HydrophobicContact CG2-CE1 3.64Å
122	L	96.6	Very high	94	Very high	23 Å²	23	56.6 Å²	56.6	12%	0.12	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	123	178.3	-178.6	60.8	0	0	0	109.1	N72 K109 C110 C148	N72-L122 VanDerWaalsContact O-CD2 3.28Å; N72-L122 WeakPolarHBondContact O-CD2 3.23Å; K109-L122 WeakPolarHBondContact CA-O 3.01Å; C110-L122 PolarHBondContact N-O 2.92Å; C110-L122 PolarHBondContact O-N 3.34Å; L122-C148 HydrophobicContact CD2-CB 4.5Å; L122-C148 VanDerWaalsContact CD2-SG 3.57Å
123	D	96	Very high	93.9	Very high	89 Å²	89	59.4 Å²	59.4	48%	0.476	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	121.5	168.1	-64.4	-54.1	0	0	0	108.4	K109	K109-D123 IonicContact NZ-OD1 2.65Å; K109-D123 PolarHBondContact NZ-OD1 3.25Å
124	C	96.3	Very high	93.9	Very high	0 Å²	0	58.9 Å²	58.9	0%	0	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	154.4	-178	-51	0	0	0	0	111.1	P105 S106 R108 C110 E128 C148	P105-C124 WeakPolarHBondContact CA-O 3.41Å; S106-C124 PolarHBondContact N-O 2.99Å; S106-C124 WeakPolarHBondContact OG-CB 3.26Å; S106-C124 PolarHBondContact OG-O 3.29Å; R108-C124 HydrophobicContact CB-CB 3.91Å; R108-C124 HydrophobicContact CG-CB 4.35Å; R108-C124 VanDerWaalsContact O-CB 3.3Å; R108-C124 WeakPolarHBondContact O-CB 3.29Å; R108-C124 PolarHBondContact O-N 2.94Å; R108-C124 PolarHBondContact O-SG 3.28Å; R108-C124 VanDerWaalsContact O-SG 3.33Å; C110-C124 PolarHBondContact SG-SG 2.87Å; C124-E128 HydrophobicContact CB-CB 4.08Å; C124-E128 WeakPolarHBondContact CB-O 3.22Å; C124-C148 WeakPolarHBondContact CA-SG 3.42Å; C124-C148 HydrophobicContact CB-CB 3.54Å; C124-C148 WeakPolarHBondContact CB-SG 3.07Å; C124-C148 WeakPolarHBondContact SG-CB 3.3Å; C124-C148 CovalentContact SG-SG 2.03Å; C124-C148 PolarHBondContact SG-SG 2.92Å
125	V	94.6	Very high	93.9	Very high	15 Å²	15	56.1 Å²	56.1	9%	0.091	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	157.9	-174.1	-63.9	0	0	0	0	112.1	R77 T104 D127 E128	R77-V125 VanDerWaalsContact CZ-CG2 3.46Å; T104-V125 CarbonylContact O-C 3.57Å; T104-V125 VanDerWaalsContact O-CA 3.23Å; T104-V125 WeakPolarHBondContact O-CA 3.34Å; T104-V125 WeakPolarHBondContact O-CB 3.41Å; V125-D127 PolarHBondContact O-N 3.25Å; V125-E128 PolarHBondContact N-OE2 3.32Å; V125-E128 WeakPolarHBondContact O-CB 3.2Å; V125-E128 WeakPolarHBondContact O-CG 3.19Å; V125-E128 PolarHBondContact O-N 3.02Å; V125-E128 VanDerWaalsContact O-N 3.1Å
126	G	92.9	Very high	94	Very high	34 Å²	34	53.4 Å²	53.4	35%	0.351	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	60.6	-124.5	176.2	0	0	0	0	0	112.5	T104 S106	T104-G126 PolarHBondContact O-N 3.1Å; S106-G126 VanDerWaalsContact CB-O 3.31Å; S106-G126 WeakPolarHBondContact CB-O 3.37Å
127	D	93.1	Very high	93.9	Very high	68 Å²	68	49.2 Å²	49.2	36%	0.364	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.5	7.9	179.7	64.9	-11.6	0	0	0	113.8	S70 V125 N129	S70-D127 WeakPolarHBondContact CB-OD1 3.39Å; V125-D127 PolarHBondContact O-N 3.25Å; D127-N129 VanDerWaalsContact C-N 3.26Å; D127-N129 PolarHBondContact O-N 3.05Å; D127-N129 PolarHBondContact O-ND2 2.8Å
128	E	96.1	Very high	93.3	Very high	0 Å²	0	48 Å²	48	0%	0	26%	0.262	C	S	.	.			trans	-75.2	75.2	179.7	-58.7	166.4	-177.2	0	0	111	S70 N72 R77 S106 C124 V125 C148 A149	S70-E128 PolarHBondContact OG-OE1 2.8Å; N72-E128 WeakPolarHBondContact CB-OE1 3.36Å; N72-E128 VanDerWaalsContact CB-OE2 3.24Å; N72-E128 WeakPolarHBondContact CB-OE2 3.45Å; N72-E128 PolarHBondContact ND2-OE2 3.48Å; N72-E128 VanDerWaalsContact ND2-OE2 3.14Å; R77-E128 IonicContact CZ-OE1 3.84Å; R77-E128 IonicContact NE-OE1 2.69Å; R77-E128 PolarHBondContact NE-OE1 3.37Å; R77-E128 IonicContact NH2-OE1 2.7Å; R77-E128 PolarHBondContact NH2-OE1 3.29Å; S106-E128 PolarHBondContact OG-O 3.5Å; S106-E128 VanDerWaalsContact OG-O 3.04Å; C124-E128 HydrophobicContact CB-CB 4.08Å; C124-E128 WeakPolarHBondContact CB-O 3.22Å; V125-E128 PolarHBondContact N-OE2 3.32Å; V125-E128 WeakPolarHBondContact O-CB 3.2Å; V125-E128 WeakPolarHBondContact O-CG 3.19Å; V125-E128 PolarHBondContact O-N 3.02Å; V125-E128 VanDerWaalsContact O-N 3.1Å; E128-C148 HydrophobicContact CB-CB 3.74Å; E128-C148 HydrophobicContact CG-CB 4.42Å; E128-A149 CarbonylContact C-O 3.36Å; E128-A149 WeakPolarHBondContact CA-O 3.43Å
129	N	95.4	Very high	92.6	Very high	68 Å²	68	55.2 Å²	55.2	36%	0.364	30%	0.299	S	S	.	.			trans	-94.6	-4.9	-173.1	-70.3	-50.6	0	0	0	114.3	R108 D127 A149	R108-N129 PolarHBondContact NE-O 2.97Å; D127-N129 VanDerWaalsContact C-N 3.26Å; D127-N129 PolarHBondContact O-N 3.05Å; D127-N129 PolarHBondContact O-ND2 2.8Å; N129-A149 PolarHBondContact N-O 2.96Å
130	Y	97.3	Very high	91.8	Very high	48 Å²	48	51.6 Å²	51.6	19%	0.188	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	151.3	-178.8	-65.4	-98.5	0	0	0	111.1	C148 A149 E151 C154 Q174	Y130-C148 CarbonylContact O-C 3.56Å; Y130-C148 VanDerWaalsContact O-CA 3.31Å; Y130-C148 WeakPolarHBondContact O-CA 3.31Å; Y130-A149 PolarHBondContact N-O 3.02Å; Y130-A149 VanDerWaalsContact N-O 3.08Å; Y130-A149 PolarHBondContact O-N 2.83Å; Y130-E151 HydrophobicContact CD2-CB 4.25Å; Y130-E151 HydrophobicContact CE2-CB 3.62Å; Y130-E151 HydrophobicContact CE2-CG 3.89Å; Y130-C154 WeakPolarHBondContact CB-SG 3.28Å; Y130-C154 HydrophobicContact CD1-CB 4.33Å; Y130-C154 HydrophobicContact CG-CB 4.29Å; Y130-Q174 HydrophobicContact CD1-CB 4.2Å; Y130-Q174 HydrophobicContact CE1-CB 4.19Å; Y130-Q174 HydrophobicContact CE1-CG 4.48Å
131	C	98.1	Very high	91.1	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	135	164.5	-57.3	0	0	0	0	109.8	C110 G147 C172 C173 N179	C110-C131 VanDerWaalsContact CA-SG 3.54Å; C110-C131 HydrophobicContact CB-CB 3.78Å; C110-C131 WeakPolarHBondContact CB-SG 3.46Å; C110-C131 WeakPolarHBondContact SG-CA 3.37Å; C110-C131 WeakPolarHBondContact SG-CB 3.25Å; C110-C131 CovalentContact SG-SG 2.03Å; C110-C131 PolarHBondContact SG-SG 2.85Å; C131-G147 CarbonylContact C-O 3.54Å; C131-G147 WeakPolarHBondContact CA-O 3.43Å; C131-C172 CarbonylContact O-C 3.59Å; C131-C172 WeakPolarHBondContact O-CA 3.03Å; C131-C173 PolarHBondContact N-O 3.12Å; C131-C173 PolarHBondContact O-N 3.07Å; C131-N179 HydrophobicContact CB-CB 3.71Å
132	V	97	Very high	90.5	Very high	0 Å²	0	50.1 Å²	50.1	0%	0	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	147.2	177.1	64.7	0	0	0	0	110.6	V71 Y73 V134 K146 G147 A149 L170 S171 N179	V71-V132 HydrophobicContact CG2-CG1 4.28Å; Y73-V132 HydrophobicContact CD1-CG1 4.41Å; Y73-V132 HydrophobicContact CE1-CG1 3.89Å; V132-V134 HydrophobicContact CG2-CG2 4.15Å; V132-K146 WeakPolarHBondContact O-CA 3.47Å; V132-G147 PolarHBondContact N-O 2.89Å; V132-G147 PolarHBondContact O-N 3.09Å; V132-A149 HydrophobicContact CB-CB 3.86Å; V132-A149 HydrophobicContact CG1-CB 3.94Å; V132-L170 HydrophobicContact CG2-CD1 4.38Å; V132-L170 HydrophobicContact CG2-CG 4.12Å; V132-S171 CarbonylContact C-O 3.59Å; V132-S171 WeakPolarHBondContact CA-O 2.98Å; V132-N179 PolarHBondContact O-ND2 3.34Å
133	K	95.3	Very high	90	Very high	63 Å²	63	52.5 Å²	52.5	27%	0.274	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	123.9	168.6	177.1	-177.6	177.5	-176.5	0	108.4	T135 V145 K146 S171 N179	K133-T135 HydrophobicContact CD-CG2 4.4Å; K133-T135 HydrophobicContact CG-CG2 4.17Å; K133-V145 WeakPolarHBondContact CA-O 3.49Å; K133-K146 HydrophobicContact CB-CG 4.38Å; K133-K146 HydrophobicContact CG-CG 4.22Å; K133-S171 PolarHBondContact N-O 2.86Å; K133-S171 PolarHBondContact O-N 3.3Å; K133-S171 PolarHBondContact O-OG 2.96Å; K133-N179 HydrophobicContact CB-CB 4.42Å
134	V	92.7	Very high	89.8	Confident	11 Å²	11	50.5 Å²	50.5	7%	0.067	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	130.2	174	-177.5	0	0	0	0	108.7	Y73 V132 T144 V145 V168 K169 L170	Y73-V134 HydrophobicContact CE1-CG2 4.47Å; V132-V134 HydrophobicContact CG2-CG2 4.15Å; V134-T144 WeakPolarHBondContact O-CA 3Å; V134-V145 HydrophobicContact CB-CG2 3.64Å; V134-V145 HydrophobicContact CG1-CG2 4.42Å; V134-V145 HydrophobicContact CG2-CG2 4.23Å; V134-V145 PolarHBondContact N-O 3.35Å; V134-V145 PolarHBondContact O-N 3.4Å; V134-V168 HydrophobicContact CG1-CB 3.8Å; V134-V168 HydrophobicContact CG1-CG2 3.47Å; V134-V168 VanDerWaalsContact CG1-CG2 3.47Å; V134-K169 CarbonylContact C-O 3.53Å; V134-K169 VanDerWaalsContact CA-O 3.29Å; V134-K169 WeakPolarHBondContact CA-O 3.38Å; V134-L170 HydrophobicContact CG2-CD1 4.32Å; V134-L170 HydrophobicContact CG2-CG 4.3Å
135	T	91.7	Very high	89.7	Confident	40 Å²	40	52.3 Å²	52.3	25%	0.245	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	139.1	177.7	55.6	0	0	0	0	110.5	K133 L143 T144 K169	K133-T135 HydrophobicContact CD-CG2 4.4Å; K133-T135 HydrophobicContact CG-CG2 4.17Å; T135-L143 CarbonylContact C-O 3.42Å; T135-L143 VanDerWaalsContact CA-O 3.26Å; T135-L143 WeakPolarHBondContact CA-O 3.26Å; T135-T144 HydrophobicContact CG2-CG2 4.23Å; T135-K169 PolarHBondContact N-O 3.46Å; T135-K169 PolarHBondContact O-N 3.15Å
136	G	87.8	Confident	89.8	Confident	15 Å²	15	51.8 Å²	51.8	16%	0.155	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-163	-175.9	177.3	0	0	0	0	0	112.5	S142 L143	G136-S142 WeakPolarHBondContact O-CA 3.49Å; G136-L143 PolarHBondContact N-O 2.89Å; G136-L143 PolarHBondContact O-N 3.35Å
137	N	84.2	Confident	90	Very high	108 Å²	108	50.2 Å²	50.2	58%	0.578	30%	0.304	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-120.1	122.4	168	-168.2	-57.7	0	0	0	107.6	G140 A141	N137-G140 VanDerWaalsContact OD1-C 3.29Å; N137-G140 WeakPolarHBondContact OD1-CA 3.24Å; N137-G140 PolarHBondContact OD1-N 3.4Å; N137-A141 WeakPolarHBondContact CA-O 3.05Å
138	V	75.4	Confident	90.2	Very high	71 Å²	71	47 Å²	47	43%	0.43	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	119.9	176.8	-176.9	0	0	0	0	106.6	G140 A141 L143	V138-G140 PolarHBondContact O-N 2.93Å; V138-G140 VanDerWaalsContact O-N 3.16Å; V138-A141 PolarHBondContact N-O 3.01Å; V138-A141 PolarHBondContact O-N 2.76Å; V138-L143 HydrophobicContact CG2-CB 4.44Å; V138-L143 HydrophobicContact CG2-CD2 4.12Å
139	D	78.9	Confident	90.3	Very high	172 Å²	172	47 Å²	47	92%	0.92	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.7	36.4	-179.5	-57.9	-31.1	0	0	0	114.6	A141	D139-A141 VanDerWaalsContact C-N 3.29Å; D139-A141 PolarHBondContact O-N 3.33Å
140	G	77.6	Confident	90.3	Very high	64 Å²	64	43.9 Å²	43.9	66%	0.66	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	86.9	-10.9	180	0	0	0	0	0	114.3	N137 V138	N137-G140 VanDerWaalsContact OD1-C 3.29Å; N137-G140 WeakPolarHBondContact OD1-CA 3.24Å; N137-G140 PolarHBondContact OD1-N 3.4Å; V138-G140 PolarHBondContact O-N 2.93Å; V138-G140 VanDerWaalsContact O-N 3.16Å
141	A	79.6	Confident	90.1	Very high	62 Å²	62	48 Å²	48	51%	0.512	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	135.6	177.8	0	0	0	0	0	111.5	N137 V138 D139 L143	N137-A141 WeakPolarHBondContact CA-O 3.05Å; V138-A141 PolarHBondContact N-O 3.01Å; V138-A141 PolarHBondContact O-N 2.76Å; D139-A141 VanDerWaalsContact C-N 3.29Å; D139-A141 PolarHBondContact O-N 3.33Å; A141-L143 PolarHBondContact O-N 3.22Å
142	S	84	Confident	89.9	Confident	102 Å²	102	50.2 Å²	50.2	71%	0.713	30%	0.303	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-71.9	122.7	171.8	-172	0	0	0	0	109.8	G136	G136-S142 WeakPolarHBondContact O-CA 3.49Å
143	L	86.8	Confident	89.7	Confident	72 Å²	72	50.8 Å²	50.8	38%	0.377	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	129.6	173.9	179.5	64.9	0	0	0	109	T135 G136 V138 A141 V145	T135-L143 CarbonylContact C-O 3.42Å; T135-L143 VanDerWaalsContact CA-O 3.26Å; T135-L143 WeakPolarHBondContact CA-O 3.26Å; G136-L143 PolarHBondContact N-O 2.89Å; G136-L143 PolarHBondContact O-N 3.35Å; V138-L143 HydrophobicContact CG2-CB 4.44Å; V138-L143 HydrophobicContact CG2-CD2 4.12Å; A141-L143 PolarHBondContact O-N 3.22Å; L143-V145 HydrophobicContact CD1-CG1 3.98Å; L143-V145 HydrophobicContact CG-CG1 4.41Å
144	T	91.5	Very high	89.6	Confident	47 Å²	47	49 Å²	49	29%	0.288	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	123.9	164.2	-64.4	0	0	0	0	108.9	C113 V134 T135 K146	C113-T144 PolarHBondContact SG-O 3.08Å; C113-T144 VanDerWaalsContact SG-O 3.41Å; V134-T144 WeakPolarHBondContact O-CA 3Å; T135-T144 HydrophobicContact CG2-CG2 4.23Å; T144-K146 HydrophobicContact CG2-CG 4.44Å
145	V	93.5	Very high	89.6	Confident	38 Å²	38	50.2 Å²	50.2	23%	0.23	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	150	169.1	-60.7	0	0	0	0	109.8	Y73 K133 V134 L143	Y73-V145 HydrophobicContact CD1-CB 4.3Å; Y73-V145 HydrophobicContact CD1-CG2 4.15Å; Y73-V145 HydrophobicContact CE1-CG2 3.93Å; K133-V145 WeakPolarHBondContact CA-O 3.49Å; V134-V145 HydrophobicContact CB-CG2 3.64Å; V134-V145 HydrophobicContact CG1-CG2 4.42Å; V134-V145 HydrophobicContact CG2-CG2 4.23Å; V134-V145 PolarHBondContact N-O 3.35Å; V134-V145 PolarHBondContact O-N 3.4Å; L143-V145 HydrophobicContact CD1-CG1 3.98Å; L143-V145 HydrophobicContact CG-CG1 4.41Å
146	K	96.6	Very high	89.4	Confident	5 Å²	5	55.4 Å²	55.4	2%	0.022	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	154.6	-177	-65.8	-176.2	-175.6	-178.5	0	109.9	Y73 F111 S112 C118 V132 K133 T144 N179	Y73-K146 WeakPolarHBondContact CA-O 3.41Å; F111-K146 HydrophobicContact CB-CD 3.99Å; F111-K146 CarbonylContact O-C 3.44Å; F111-K146 WeakPolarHBondContact O-CB 3.42Å; S112-K146 WeakPolarHBondContact CA-O 3.22Å; C118-K146 HydrophobicContact CB-CD 3.98Å; C118-K146 PolarHBondContact O-NZ 3.42Å; V132-K146 WeakPolarHBondContact O-CA 3.47Å; K133-K146 HydrophobicContact CB-CG 4.38Å; K133-K146 HydrophobicContact CG-CG 4.22Å; T144-K146 HydrophobicContact CG2-CG 4.44Å; K146-N179 VanDerWaalsContact CD-O 3.31Å; K146-N179 WeakPolarHBondContact CD-O 3.46Å; K146-N179 WeakPolarHBondContact CE-O 3.5Å; K146-N179 PolarHBondContact NZ-O 3.28Å
147	G	97.6	Very high	89.3	Confident	0 Å²	0	60.1 Å²	60.1	0%	0	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	178.8	-159.2	179.5	0	0	0	0	0	114.2	N72 C110 F111 C131 V132 N179	N72-G147 CarbonylContact O-C 3.59Å; N72-G147 WeakPolarHBondContact O-CA 3.46Å; C110-G147 WeakPolarHBondContact CB-O 3.19Å; F111-G147 WeakPolarHBondContact O-CA 3.43Å; F111-G147 PolarHBondContact O-N 3.05Å; F111-G147 VanDerWaalsContact O-N 3.13Å; C131-G147 CarbonylContact C-O 3.54Å; C131-G147 WeakPolarHBondContact CA-O 3.43Å; V132-G147 PolarHBondContact N-O 2.89Å; V132-G147 PolarHBondContact O-N 3.09Å; G147-N179 PolarHBondContact O-ND2 2.79Å
148	C	97.8	Very high	89.4	Confident	0 Å²	0	56.3 Å²	56.3	0%	0	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	152.2	171	-48.6	0	0	0	0	110.4	N72 L122 C124 E128 Y130	N72-C148 HydrophobicContact CB-CB 4.32Å; N72-C148 PolarHBondContact N-O 2.92Å; N72-C148 PolarHBondContact O-N 3.34Å; L122-C148 HydrophobicContact CD2-CB 4.5Å; L122-C148 VanDerWaalsContact CD2-SG 3.57Å; C124-C148 WeakPolarHBondContact CA-SG 3.42Å; C124-C148 HydrophobicContact CB-CB 3.54Å; C124-C148 WeakPolarHBondContact CB-SG 3.07Å; C124-C148 WeakPolarHBondContact SG-CB 3.3Å; C124-C148 CovalentContact SG-SG 2.03Å; C124-C148 PolarHBondContact SG-SG 2.92Å; E128-C148 HydrophobicContact CB-CB 3.74Å; E128-C148 HydrophobicContact CG-CB 4.42Å; Y130-C148 CarbonylContact O-C 3.56Å; Y130-C148 VanDerWaalsContact O-CA 3.31Å; Y130-C148 WeakPolarHBondContact O-CA 3.31Å
149	A	97.2	Very high	90	Very high	0 Å²	0	54 Å²	54	0%	0	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.6	149.3	179.1	0	0	0	0	0	112	S70 E128 N129 Y130 V132 V153	S70-A149 WeakPolarHBondContact O-CA 3.2Å; E128-A149 CarbonylContact C-O 3.36Å; E128-A149 WeakPolarHBondContact CA-O 3.43Å; N129-A149 PolarHBondContact N-O 2.96Å; Y130-A149 PolarHBondContact N-O 3.02Å; Y130-A149 VanDerWaalsContact N-O 3.08Å; Y130-A149 PolarHBondContact O-N 2.83Å; V132-A149 HydrophobicContact CB-CB 3.86Å; V132-A149 HydrophobicContact CG1-CB 3.94Å; A149-V153 HydrophobicContact CB-CB 3.95Å; A149-V153 HydrophobicContact CB-CG1 3.86Å
150	S	95.9	Very high	90.3	Very high	4 Å²	4	49.2 Å²	49.2	3%	0.028	30%	0.303	C	S	.	.			trans	-65.6	158.4	165.4	62.7	0	0	0	0	111.4	S70 L152 V153	S70-S150 PolarHBondContact N-OG 3.35Å; S70-S150 PolarHBondContact O-N 3.33Å; S70-S150 PolarHBondContact O-OG 3.42Å; S150-L152 VanDerWaalsContact C-N 3.29Å; S150-L152 PolarHBondContact O-N 2.68Å; S150-V153 PolarHBondContact O-N 2.78Å; S150-V153 WeakPolarHBondContact OG-CG2 3.47Å
151	E	94.1	Very high	90.6	Very high	135 Å²	135	48.9 Å²	48.9	63%	0.631	29%	0.285	S	S	*	.	G	3₁₀ helix	trans	-53.3	-44.2	-177.9	-176.3	175.1	-170.4	0	0	113.2	Y130 V153 C154 S155	Y130-E151 HydrophobicContact CD2-CB 4.25Å; Y130-E151 HydrophobicContact CE2-CB 3.62Å; Y130-E151 HydrophobicContact CE2-CG 3.89Å; E151-V153 VanDerWaalsContact C-N 3.32Å; E151-V153 PolarHBondContact O-N 2.89Å; E151-C154 CarbonylContact O-C 3.53Å; E151-C154 WeakPolarHBondContact O-CA 3.05Å; E151-C154 WeakPolarHBondContact O-CB 3.39Å; E151-C154 PolarHBondContact O-N 2.03Å; E151-S155 PolarHBondContact O-N 3.14Å
152	L	92.5	Very high	90.8	Very high	45 Å²	45	48 Å²	48	24%	0.236	27%	0.273	C	S	.	.	G	3₁₀ helix	trans	-60.8	-38.9	-177.2	174.3	72	0	0	0	113.3	L67 D68 F69 S150 C154 S155 T158	L67-L152 HydrophobicContact CB-CD2 3.46Å; L67-L152 VanDerWaalsContact CB-CD2 3.46Å; L67-L152 HydrophobicContact CD1-CD1 3.84Å; L67-L152 HydrophobicContact CD1-CD2 3.68Å; L67-L152 HydrophobicContact CD1-CG 4.12Å; L67-L152 HydrophobicContact CD2-CD1 3.65Å; L67-L152 HydrophobicContact CD2-CD2 3.76Å; L67-L152 HydrophobicContact CD2-CG 4.31Å; L67-L152 HydrophobicContact CG-CD1 4.28Å; L67-L152 HydrophobicContact CG-CD2 3.79Å; D68-L152 WeakPolarHBondContact O-CD2 3.42Å; F69-L152 HydrophobicContact CB-CD2 4Å; S150-L152 VanDerWaalsContact C-N 3.29Å; S150-L152 PolarHBondContact O-N 2.68Å; L152-C154 PolarHBondContact O-N 3.44Å; L152-S155 WeakPolarHBondContact O-CB 3.43Å; L152-S155 PolarHBondContact O-N 2.81Å; L152-S155 VanDerWaalsContact O-N 3.12Å; L152-S155 PolarHBondContact O-OG 2.93Å; L152-T158 WeakPolarHBondContact O-CB 3.47Å; L152-T158 PolarHBondContact O-OG1 2.99Å
153	V	93.5	Very high	90.9	Very high	13 Å²	13	46.9 Å²	46.9	8%	0.079	26%	0.259	C	S	.	.	G	3₁₀ helix	trans	-59.3	-32.1	175.7	173.9	0	0	0	0	110.3	F69 A149 S150 E151 L170	F69-V153 HydrophobicContact CB-CG2 3.83Å; F69-V153 HydrophobicContact CD2-CG2 4.28Å; F69-V153 HydrophobicContact CG-CG2 4.36Å; A149-V153 HydrophobicContact CB-CB 3.95Å; A149-V153 HydrophobicContact CB-CG1 3.86Å; S150-V153 PolarHBondContact O-N 2.78Å; S150-V153 WeakPolarHBondContact OG-CG2 3.47Å; E151-V153 VanDerWaalsContact C-N 3.32Å; E151-V153 PolarHBondContact O-N 2.89Å; V153-L170 HydrophobicContact CG1-CD1 4.1Å; V153-L170 WeakPolarHBondContact O-CD2 3.32Å
154	C	93.2	Very high	90.8	Very high	25 Å²	25	50 Å²	50	17%	0.169	27%	0.272	C	S	.	.	G	3₁₀ helix	trans	-91.1	5	-178.5	-65.1	0	0	0	0	114.2	Y130 E151 L152 C172	Y130-C154 WeakPolarHBondContact CB-SG 3.28Å; Y130-C154 HydrophobicContact CD1-CB 4.33Å; Y130-C154 HydrophobicContact CG-CB 4.29Å; E151-C154 CarbonylContact O-C 3.53Å; E151-C154 WeakPolarHBondContact O-CA 3.05Å; E151-C154 WeakPolarHBondContact O-CB 3.39Å; E151-C154 PolarHBondContact O-N 2.03Å; L152-C154 PolarHBondContact O-N 3.44Å; C154-C172 WeakPolarHBondContact CA-SG 3.29Å; C154-C172 HydrophobicContact CB-CB 3.35Å; C154-C172 WeakPolarHBondContact CB-SG 3.41Å; C154-C172 WeakPolarHBondContact SG-CB 3.38Å; C154-C172 CovalentContact SG-SG 2.03Å; C154-C172 PolarHBondContact SG-SG 2.03Å
155	S	91.9	Very high	90.3	Very high	37 Å²	37	55.4 Å²	55.4	26%	0.259	29%	0.292	S	S	.	.	S	Bend	trans	-71.4	145.8	173.6	71.1	0	0	0	0	111.5	E151 L152 K157 T158 A159	E151-S155 PolarHBondContact O-N 3.14Å; L152-S155 WeakPolarHBondContact O-CB 3.43Å; L152-S155 PolarHBondContact O-N 2.81Å; L152-S155 VanDerWaalsContact O-N 3.12Å; L152-S155 PolarHBondContact O-OG 2.93Å; S155-K157 PolarHBondContact O-N 2.89Å; S155-K157 VanDerWaalsContact O-N 3.16Å; S155-T158 PolarHBondContact O-N 3.4Å; S155-T158 VanDerWaalsContact O-N 3.08Å; S155-T158 PolarHBondContact OG-N 2.89Å; S155-T158 PolarHBondContact OG-OG1 2.83Å; S155-A159 PolarHBondContact O-N 2.9Å
156	D	88	Confident	89.8	Confident	149 Å²	149	57.6 Å²	57.6	80%	0.797	31%	0.306	S	S	*	.	H	α-helix	trans	-55.4	-35.8	178.2	-68.3	-29.2	0	0	0	112.1	A159 S160	D156-A159 PolarHBondContact O-N 3.41Å; D156-S160 WeakPolarHBondContact O-CB 3.44Å; D156-S160 PolarHBondContact O-N 3.1Å
157	K	86.6	Confident	89.2	Confident	113 Å²	113	60 Å²	60	49%	0.491	33%	0.332	S	S	.	.	H	α-helix	trans	-62.7	-50.6	176.8	-173.6	-179.1	-171.4	173.1	0	111.8	E64 S155 A159 S160 L161	E64-K157 VanDerWaalsContact CB-NZ 3.31Å; S155-K157 PolarHBondContact O-N 2.89Å; S155-K157 VanDerWaalsContact O-N 3.16Å; K157-A159 VanDerWaalsContact C-N 3.34Å; K157-S160 PolarHBondContact O-N 2.72Å; K157-L161 HydrophobicContact CG-CD1 4.35Å; K157-L161 WeakPolarHBondContact O-CG 3.26Å; K157-L161 PolarHBondContact O-N 3.03Å
158	T	86.3	Confident	88.8	Confident	28 Å²	28	60.9 Å²	60.9	17%	0.172	34%	0.337	C	S	.	.	H	α-helix	trans	-62.9	-43.6	177.5	-59.9	0	0	0	0	110.8	L152 S155 S160 L161 V162	L152-T158 WeakPolarHBondContact O-CB 3.47Å; L152-T158 PolarHBondContact O-OG1 2.99Å; S155-T158 PolarHBondContact O-N 3.4Å; S155-T158 VanDerWaalsContact O-N 3.08Å; S155-T158 PolarHBondContact OG-N 2.89Å; S155-T158 PolarHBondContact OG-OG1 2.83Å; T158-S160 VanDerWaalsContact C-N 3.3Å; T158-S160 PolarHBondContact O-N 3.38Å; T158-L161 PolarHBondContact O-N 3.23Å; T158-V162 HydrophobicContact CG2-CG2 4.19Å; T158-V162 WeakPolarHBondContact O-CB 3.12Å; T158-V162 VanDerWaalsContact O-CG2 3.3Å; T158-V162 WeakPolarHBondContact O-CG2 3.31Å; T158-V162 PolarHBondContact O-N 3.27Å
159	A	86.1	Confident	88.4	Confident	22 Å²	22	67.2 Å²	67.2	18%	0.182	37%	0.365	C	S	.	.	H	α-helix	trans	-58.2	-42.7	176.7	0	0	0	0	0	112	S155 D156 K157 N163 L170	S155-A159 PolarHBondContact O-N 2.9Å; D156-A159 PolarHBondContact O-N 3.41Å; K157-A159 VanDerWaalsContact C-N 3.34Å; A159-N163 WeakPolarHBondContact O-CB 3.34Å; A159-N163 PolarHBondContact O-N 3.1Å; A159-L170 HydrophobicContact CB-CB 4.36Å; A159-L170 HydrophobicContact CB-CD2 3.94Å
160	S	85.7	Confident	88.2	Confident	73 Å²	73	68.1 Å²	68.1	51%	0.51	37%	0.369	S	S	.	.	H	α-helix	trans	-63.9	-46.6	176.2	-174.2	0	0	0	0	112.2	D156 K157 T158 N163 Q164	D156-S160 WeakPolarHBondContact O-CB 3.44Å; D156-S160 PolarHBondContact O-N 3.1Å; K157-S160 PolarHBondContact O-N 2.72Å; T158-S160 VanDerWaalsContact C-N 3.3Å; T158-S160 PolarHBondContact O-N 3.38Å; S160-N163 PolarHBondContact O-N 2.87Å; S160-Q164 WeakPolarHBondContact O-CB 3.02Å; S160-Q164 PolarHBondContact O-N 3.13Å
161	L	84.1	Confident	88.1	Confident	57 Å²	57	70.1 Å²	70.1	30%	0.298	38%	0.384	S	S	.	.	H	α-helix	trans	-63	-47.5	179.2	-70.5	170.5	0	0	0	111	K157 T158 N163 Q164 F165	K157-L161 HydrophobicContact CG-CD1 4.35Å; K157-L161 WeakPolarHBondContact O-CG 3.26Å; K157-L161 PolarHBondContact O-N 3.03Å; T158-L161 PolarHBondContact O-N 3.23Å; L161-N163 VanDerWaalsContact C-N 3.31Å; L161-N163 PolarHBondContact O-N 2.81Å; L161-Q164 PolarHBondContact O-N 3.43Å; L161-F165 HydrophobicContact CD2-CE2 4.03Å; L161-F165 WeakPolarHBondContact O-CD2 3.26Å; L161-F165 PolarHBondContact O-N 2.9Å
162	V	85.1	Confident	88.1	Confident	43 Å²	43	65.8 Å²	65.8	26%	0.261	37%	0.368	S	S	.	.	H	α-helix	trans	-57.1	-47.6	176.7	168.7	0	0	0	0	110.3	T158 Q164 F165 T166 V168 L170	T158-V162 HydrophobicContact CG2-CG2 4.19Å; T158-V162 WeakPolarHBondContact O-CB 3.12Å; T158-V162 VanDerWaalsContact O-CG2 3.3Å; T158-V162 WeakPolarHBondContact O-CG2 3.31Å; T158-V162 PolarHBondContact O-N 3.27Å; V162-Q164 PolarHBondContact O-N 3.04Å; V162-F165 PolarHBondContact O-N 3.13Å; V162-T166 WeakPolarHBondContact O-CB 3.39Å; V162-T166 PolarHBondContact O-N 3Å; V162-T166 PolarHBondContact O-OG1 2.86Å; V162-V168 HydrophobicContact CG1-CG2 3.52Å; V162-L170 HydrophobicContact CG1-CB 4.39Å; V162-L170 HydrophobicContact CG1-CD1 4.49Å; V162-L170 HydrophobicContact CG2-CD1 4.41Å
163	N	84.9	Confident	88.3	Confident	78 Å²	78	65.5 Å²	65.5	42%	0.417	37%	0.369	S	S	.	.	H	α-helix	trans	-62	-44.6	178.4	-172.6	-105.8	0	0	0	112.9	A159 S160 L161 F165 G167 V168	A159-N163 WeakPolarHBondContact O-CB 3.34Å; A159-N163 PolarHBondContact O-N 3.1Å; S160-N163 PolarHBondContact O-N 2.87Å; L161-N163 VanDerWaalsContact C-N 3.31Å; L161-N163 PolarHBondContact O-N 2.81Å; N163-F165 PolarHBondContact O-N 2.84Å; N163-G167 VanDerWaalsContact O-CA 3.27Å; N163-G167 WeakPolarHBondContact O-CA 3.34Å; N163-G167 PolarHBondContact O-N 2.79Å; N163-V168 WeakPolarHBondContact CA-O 3.47Å; N163-V168 WeakPolarHBondContact CB-O 3.08Å; N163-V168 PolarHBondContact ND2-O 3.5Å
164	Q	84.3	Confident	88.4	Confident	139 Å²	139	71 Å²	71	65%	0.65	39%	0.394	S	S	*	.	H	α-helix	trans	-62.3	-42.6	-179.4	-176.1	179.1	13.8	0	0	112.7	S160 L161 V162	S160-Q164 WeakPolarHBondContact O-CB 3.02Å; S160-Q164 PolarHBondContact O-N 3.13Å; L161-Q164 PolarHBondContact O-N 3.43Å; V162-Q164 PolarHBondContact O-N 3.04Å
165	F	80.6	Confident	88.4	Confident	159 Å²	159	70.9 Å²	70.9	70%	0.697	40%	0.397	S	S	*	.	H	α-helix	trans	-86.5	-24.1	-174.6	-73.6	-66.8	0	0	0	114.3	L161 V162 N163	L161-F165 HydrophobicContact CD2-CE2 4.03Å; L161-F165 WeakPolarHBondContact O-CD2 3.26Å; L161-F165 PolarHBondContact O-N 2.9Å; V162-F165 PolarHBondContact O-N 3.13Å; N163-F165 PolarHBondContact O-N 2.84Å
166	T	83.9	Confident	88.7	Confident	85 Å²	85	73 Å²	73	52%	0.521	41%	0.405	S	S	.	.	H	α-helix	trans	-122.7	-13	-172.1	69.2	0	0	0	0	114.1	V162 V168	V162-T166 WeakPolarHBondContact O-CB 3.39Å; V162-T166 PolarHBondContact O-N 3Å; V162-T166 PolarHBondContact O-OG1 2.86Å; T166-V168 PolarHBondContact O-N 3.5Å; T166-V168 WeakPolarHBondContact OG1-CG2 3.46Å; T166-V168 PolarHBondContact OG1-N 3.4Å
167	G	83.8	Confident	89.1	Confident	56 Å²	56	69.6 Å²	69.6	58%	0.577	38%	0.382	S	S	*	.			trans	72.2	-1.6	-173.5	0	0	0	0	0	114.6	N163	N163-G167 VanDerWaalsContact O-CA 3.27Å; N163-G167 WeakPolarHBondContact O-CA 3.34Å; N163-G167 PolarHBondContact O-N 2.79Å
168	V	88.4	Confident	89.5	Confident	18 Å²	18	66.5 Å²	66.5	11%	0.109	37%	0.374	C	S	.	.	P	Polyproline II helix	trans	-84	147.7	177.9	-47	0	0	0	0	111	V134 V162 N163 T166	V134-V168 HydrophobicContact CG1-CB 3.8Å; V134-V168 HydrophobicContact CG1-CG2 3.47Å; V134-V168 VanDerWaalsContact CG1-CG2 3.47Å; V162-V168 HydrophobicContact CG1-CG2 3.52Å; N163-V168 WeakPolarHBondContact CA-O 3.47Å; N163-V168 WeakPolarHBondContact CB-O 3.08Å; N163-V168 PolarHBondContact ND2-O 3.5Å; T166-V168 PolarHBondContact O-N 3.5Å; T166-V168 WeakPolarHBondContact OG1-CG2 3.46Å; T166-V168 PolarHBondContact OG1-N 3.4Å
169	K	90.6	Very high	90	Very high	132 Å²	132	65.4 Å²	65.4	57%	0.574	37%	0.367	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-94.1	119.5	174.1	-174.7	177.9	-177.9	176.2	0	109.5	V134 T135	V134-K169 CarbonylContact C-O 3.53Å; V134-K169 VanDerWaalsContact CA-O 3.29Å; V134-K169 WeakPolarHBondContact CA-O 3.38Å; T135-K169 PolarHBondContact N-O 3.46Å; T135-K169 PolarHBondContact O-N 3.15Å
170	L	92.5	Very high	90.1	Very high	19 Å²	19	66.2 Å²	66.2	10%	0.099	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	134.7	170.8	-173.4	147.3	0	0	0	109.4	V132 V134 V153 A159 V162	V132-L170 HydrophobicContact CG2-CD1 4.38Å; V132-L170 HydrophobicContact CG2-CG 4.12Å; V134-L170 HydrophobicContact CG2-CD1 4.32Å; V134-L170 HydrophobicContact CG2-CG 4.3Å; V153-L170 HydrophobicContact CG1-CD1 4.1Å; V153-L170 WeakPolarHBondContact O-CD2 3.32Å; A159-L170 HydrophobicContact CB-CB 4.36Å; A159-L170 HydrophobicContact CB-CD2 3.94Å; V162-L170 HydrophobicContact CG1-CB 4.39Å; V162-L170 HydrophobicContact CG1-CD1 4.49Å; V162-L170 HydrophobicContact CG2-CD1 4.41Å
171	S	93.3	Very high	89.2	Confident	47 Å²	47	66.9 Å²	66.9	33%	0.329	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	145	174.5	56.9	0	0	0	0	109.9	V132 K133	V132-S171 CarbonylContact C-O 3.59Å; V132-S171 WeakPolarHBondContact CA-O 2.98Å; K133-S171 PolarHBondContact N-O 2.86Å; K133-S171 PolarHBondContact O-N 3.3Å; K133-S171 PolarHBondContact O-OG 2.96Å
172	C	95.9	Very high	87.8	Confident	44 Å²	44	68.5 Å²	68.5	30%	0.297	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	160.7	176.9	-70.2	0	0	0	0	111.9	C131 C154	C131-C172 CarbonylContact O-C 3.59Å; C131-C172 WeakPolarHBondContact O-CA 3.03Å; C154-C172 WeakPolarHBondContact CA-SG 3.29Å; C154-C172 HydrophobicContact CB-CB 3.35Å; C154-C172 WeakPolarHBondContact CB-SG 3.41Å; C154-C172 WeakPolarHBondContact SG-CB 3.38Å; C154-C172 CovalentContact SG-SG 2.03Å; C154-C172 PolarHBondContact SG-SG 2.03Å
173	C	95.8	Very high	86	Confident	39 Å²	39	72 Å²	72	26%	0.264	42%	0.423	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.9	161.3	172.9	57.4	0	0	0	0	109.8	C131 C178 N179	C131-C173 PolarHBondContact N-O 3.12Å; C131-C173 PolarHBondContact O-N 3.07Å; C173-C178 HydrophobicContact CB-CB 3.83Å; C173-C178 WeakPolarHBondContact CB-SG 3.24Å; C173-C178 PolarHBondContact O-SG 3.17Å; C173-C178 VanDerWaalsContact O-SG 3.37Å; C173-C178 WeakPolarHBondContact SG-CB 3.25Å; C173-C178 CovalentContact SG-SG 2.03Å; C173-C178 PolarHBondContact SG-SG 3.13Å; C173-N179 PolarHBondContact SG-N 2.96Å
174	Q	94.8	Very high	84.2	Confident	128 Å²	128	70.9 Å²	70.9	60%	0.598	43%	0.426	S	S	*	.			trans	-117	134.7	177.5	-167.7	175.2	-21.2	0	0	109.2	Y130	Y130-Q174 HydrophobicContact CD1-CB 4.2Å; Y130-Q174 HydrophobicContact CE1-CB 4.19Å; Y130-Q174 HydrophobicContact CE1-CG 4.48Å
175	G	94.8	Very high	82.5	Confident	23 Å²	23	66.5 Å²	66.5	24%	0.237	41%	0.41	C	S	.	.	S	Bend	trans	125.1	153.4	-170.7	0	0	0	0	0	110.6	Y177 C178	G175-Y177 PolarHBondContact O-N 2.86Å; G175-C178 PolarHBondContact O-SG 2.92Å
176	D	97.2	Very high	81.2	Confident	81 Å²	81	63.7 Å²	63.7	43%	0.433	41%	0.408	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.4	133.5	-177.1	-68.6	-9.1	0	0	0	110.4	R108 K109 C178	R108-D176 IonicContact CZ-OD1 2.68Å; R108-D176 IonicContact NH1-OD1 2.8Å; R108-D176 PolarHBondContact NH1-OD1 3.43Å; K109-D176 HydrophobicContact CB-CB 4.38Å; K109-D176 PolarHBondContact N-OD1 2.86Å; K109-D176 CarbonylContact O-C 3.55Å; K109-D176 VanDerWaalsContact O-CA 3.31Å; K109-D176 WeakPolarHBondContact O-CA 3.28Å; D176-C178 PolarHBondContact O-N 2.95Å
177	Y	96.4	Very high	79.8	Confident	78 Å²	78	63.9 Å²	63.9	31%	0.306	41%	0.409	S	S	.	.	T	Hydrogen-bonded Turn	trans	58	17.5	176.7	-54.2	-62.8	0	0	0	114.6	K109 F111 T121 G175 N179 S180	K109-Y177 HydrophobicContact CB-CD1 4.39Å; K109-Y177 HydrophobicContact CB-CE1 3.75Å; K109-Y177 HydrophobicContact CB-CE2 4.03Å; K109-Y177 HydrophobicContact CD-CE2 4.29Å; K109-Y177 WeakPolarHBondContact CD-OH 3.03Å; K109-Y177 PolarHBondContact O-N 2.94Å; F111-Y177 HydrophobicContact CD1-CD1 4.15Å; F111-Y177 HydrophobicContact CD2-CD1 4.29Å; F111-Y177 AromaticContact CE1-CD1 3.93Å; F111-Y177 HydrophobicContact CE1-CD1 3.93Å; F111-Y177 HydrophobicContact CE1-CE1 4.46Å; F111-Y177 HydrophobicContact CE2-CD1 4.11Å; F111-Y177 HydrophobicContact CE2-CG 4.15Å; F111-Y177 HydrophobicContact CG-CD1 4.32Å; F111-Y177 AromaticContact CZ-CD1 3.92Å; F111-Y177 HydrophobicContact CZ-CD1 3.92Å; F111-Y177 HydrophobicContact CZ-CG 4.09Å; T121-Y177 HydrophobicContact CG2-CE1 3.64Å; G175-Y177 PolarHBondContact O-N 2.86Å; Y177-N179 PolarHBondContact O-N 2.98Å; Y177-N179 VanDerWaalsContact O-N 3.1Å; Y177-S180 WeakPolarHBondContact O-CB 3.48Å; Y177-S180 PolarHBondContact O-N 2.69Å; Y177-S180 VanDerWaalsContact O-N 3.1Å
178	C	96	Very high	78.4	Confident	47 Å²	47	66 Å²	66	32%	0.318	41%	0.407	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.2	-20.2	-174.6	67	0	0	0	0	113.1	C173 G175 D176 S180	C173-C178 HydrophobicContact CB-CB 3.83Å; C173-C178 WeakPolarHBondContact CB-SG 3.24Å; C173-C178 PolarHBondContact O-SG 3.17Å; C173-C178 VanDerWaalsContact O-SG 3.37Å; C173-C178 WeakPolarHBondContact SG-CB 3.25Å; C173-C178 CovalentContact SG-SG 2.03Å; C173-C178 PolarHBondContact SG-SG 3.13Å; G175-C178 PolarHBondContact O-SG 2.92Å; D176-C178 PolarHBondContact O-N 2.95Å; C178-S180 PolarHBondContact O-N 3.17Å; C178-S180 VanDerWaalsContact O-N 3.13Å
179	N	95.4	Very high	77	Confident	6 Å²	6	70.5 Å²	70.5	3%	0.032	43%	0.429	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.8	24.7	174.2	69	-17	0	0	0	113.2	F111 C131 V132 K133 K146 G147 C173 Y177	F111-N179 WeakPolarHBondContact CB-OD1 3.44Å; F111-N179 PolarHBondContact N-OD1 2.95Å; F111-N179 PolarHBondContact O-ND2 2.82Å; C131-N179 HydrophobicContact CB-CB 3.71Å; V132-N179 PolarHBondContact O-ND2 3.34Å; K133-N179 HydrophobicContact CB-CB 4.42Å; K146-N179 VanDerWaalsContact CD-O 3.31Å; K146-N179 WeakPolarHBondContact CD-O 3.46Å; K146-N179 WeakPolarHBondContact CE-O 3.5Å; K146-N179 PolarHBondContact NZ-O 3.28Å; G147-N179 PolarHBondContact O-ND2 2.79Å; C173-N179 PolarHBondContact SG-N 2.96Å; Y177-N179 PolarHBondContact O-N 2.98Å; Y177-N179 VanDerWaalsContact O-N 3.1Å
180	S	89	Confident	75.5	Confident	39 Å²	39	69.9 Å²	69.9	27%	0.273	43%	0.432	S	S	.	.			trans	-64.9	163.5	173.5	93.3	0	0	0	0	111.6	Y177 C178 S182	Y177-S180 WeakPolarHBondContact O-CB 3.48Å; Y177-S180 PolarHBondContact O-N 2.69Å; Y177-S180 VanDerWaalsContact O-N 3.1Å; C178-S180 PolarHBondContact O-N 3.17Å; C178-S180 VanDerWaalsContact O-N 3.13Å; S180-S182 VanDerWaalsContact C-N 3.28Å; S180-S182 PolarHBondContact OG-N 3.46Å; S180-S182 VanDerWaalsContact OG-N 3.12Å; S180-S182 PolarHBondContact OG-O 2.9Å; S180-S182 VanDerWaalsContact OG-O 3.07Å
181	A	66.9	Low	74	Confident	87 Å²	87	74.3 Å²	74.3	72%	0.719	46%	0.455	S	S	*	.	S	Bend	trans	-78.7	-14.7	172.6	0	0	0	0	0	112.6
182	S	53.9	Low	72.4	Confident	90 Å²	90	76.4 Å²	76.4	63%	0.629	46%	0.462	S	S	*	.			trans	-104.4	102.3	-175.8	-83.6	0	0	0	0	110.3	S180 A184	S180-S182 VanDerWaalsContact C-N 3.28Å; S180-S182 PolarHBondContact OG-N 3.46Å; S180-S182 VanDerWaalsContact OG-N 3.12Å; S180-S182 PolarHBondContact OG-O 2.9Å; S180-S182 VanDerWaalsContact OG-O 3.07Å; S182-A184 PolarHBondContact O-N 2.82Å
183	S	47.3	Very low	70.8	Confident	116 Å²	116	78 Å²	78	81%	0.811	47%	0.47	S	S	*	.			trans	-66.6	82.9	138.7	51.1	0	0	0	0	106.4	S185	S183-S185 PolarHBondContact O-N 3Å
184	A	46.7	Very low	69.3	Low	56 Å²	56	79.3 Å²	79.3	46%	0.463	48%	0.478	S	S	.	.			trans	-56.4	105.1	153.2	0	0	0	0	0	103.5	S182	S182-A184 PolarHBondContact O-N 2.82Å
185	S	48.3	Very low	67.6	Low	46 Å²	46	78.8 Å²	78.8	32%	0.322	48%	0.479	S	S	.	.			trans	-55.6	141.8	-177.6	61.2	0	0	0	0	107	S183 T187 L188	S183-S185 PolarHBondContact O-N 3Å; S185-T187 VanDerWaalsContact CB-OG1 3.22Å; S185-T187 WeakPolarHBondContact CB-OG1 3.29Å; S185-T187 PolarHBondContact O-N 3.39Å; S185-T187 PolarHBondContact OG-OG1 3.17Å; S185-L188 PolarHBondContact O-N 3.28Å; S185-L188 PolarHBondContact OG-N 3.37Å
186	P	54.8	Low	66.1	Low	100 Å²	100	82.9 Å²	82.9	65%	0.649	50%	0.495	S	S	*	.	H	α-helix	trans	-51.1	-27.5	172.8	-24.8	32.4	0	0	0	111.5	L188 L189 L190	P186-L188 PolarHBondContact O-N 3.37Å; P186-L189 PolarHBondContact O-N 3.25Å; P186-L190 VanDerWaalsContact O-CG 3.29Å; P186-L190 WeakPolarHBondContact O-CG 3.25Å; P186-L190 PolarHBondContact O-N 3.36Å
187	T	53.6	Low	64.5	Low	89 Å²	89	83 Å²	83	55%	0.546	49%	0.494	S	S	.	.	H	α-helix	trans	-58.1	-38.4	171.1	5.1	0	0	0	0	114.1	S185 L190 L191	S185-T187 VanDerWaalsContact CB-OG1 3.22Å; S185-T187 WeakPolarHBondContact CB-OG1 3.29Å; S185-T187 PolarHBondContact O-N 3.39Å; S185-T187 PolarHBondContact OG-OG1 3.17Å; T187-L190 PolarHBondContact O-N 3.43Å; T187-L191 VanDerWaalsContact O-CG 3.26Å; T187-L191 WeakPolarHBondContact O-CG 3.37Å; T187-L191 PolarHBondContact O-N 3.12Å; T187-L191 VanDerWaalsContact O-N 3.15Å
188	L	54.9	Low	62.9	Low	101 Å²	101	83.1 Å²	83.1	53%	0.529	51%	0.507	S	S	.	.	H	α-helix	trans	-72.4	-35.4	178.9	-159.2	72.8	0	0	0	112.1	S185 P186 L191 L192	S185-L188 PolarHBondContact O-N 3.28Å; S185-L188 PolarHBondContact OG-N 3.37Å; P186-L188 PolarHBondContact O-N 3.37Å; L188-L191 PolarHBondContact O-N 2.97Å; L188-L192 PolarHBondContact O-N 2.05Å
189	L	58.7	Low	61.3	Low	112 Å²	112	85.8 Å²	85.8	59%	0.586	52%	0.522	S	S	*	.	H	α-helix	trans	-68.6	-37.9	173.2	-70.8	171.5	0	0	0	111.7	P186 L191 L192	P186-L189 PolarHBondContact O-N 3.25Å; L189-L191 VanDerWaalsContact C-N 3.28Å; L189-L191 PolarHBondContact O-N 3.42Å; L189-L192 PolarHBondContact O-N 2.76Å
190	L	59.3	Low	59.7	Low	119 Å²	119	91.9 Å²	91.9	62%	0.623	55%	0.553	S	S	*	*	H	α-helix	trans	-66.5	-26.9	175.1	-72.7	167	0	0	0	113.1	P186 T187 P194	P186-L190 VanDerWaalsContact O-CG 3.29Å; P186-L190 WeakPolarHBondContact O-CG 3.25Å; P186-L190 PolarHBondContact O-N 3.36Å; T187-L190 PolarHBondContact O-N 3.43Å; L190-P194 WeakPolarHBondContact O-CD 3.18Å
191	L	60.2	Low	58.2	Low	113 Å²	113	98.5 Å²	98.5	59%	0.592	58%	0.578	S	S	*	*	H	α-helix	trans	-76.6	-20.8	175.8	-72.9	166.3	0	0	0	113.5	T187 L188 L189	T187-L191 VanDerWaalsContact O-CG 3.26Å; T187-L191 WeakPolarHBondContact O-CG 3.37Å; T187-L191 PolarHBondContact O-N 3.12Å; T187-L191 VanDerWaalsContact O-N 3.15Å; L188-L191 PolarHBondContact O-N 2.97Å; L189-L191 VanDerWaalsContact C-N 3.28Å; L189-L191 PolarHBondContact O-N 3.42Å
192	L	59.8	Low	57.4	Low	90 Å²	90	101.9 Å²	101.9	47%	0.471	60%	0.596	S	S	.	*	H	α-helix	trans	-80	-24.9	176.7	-69.1	168.1	0	0	0	112.7	L188 L189 L195 L196	L188-L192 PolarHBondContact O-N 2.05Å; L189-L192 PolarHBondContact O-N 2.76Å; L192-L195 PolarHBondContact O-N 3.23Å; L192-L196 WeakPolarHBondContact O-CG 3.41Å; L192-L196 PolarHBondContact O-N 2.83Å; L192-L196 VanDerWaalsContact O-N 3.17Å
193	V	62.5	Low	57.6	Low	78 Å²	78	102.5 Å²	102.5	47%	0.473	60%	0.595	S	S	.	*	H	α-helix	trans	-61	-51.5	178.4	179.9	0	0	0	0	112.5	L195 L196 I197	V193-L195 VanDerWaalsContact C-N 3.3Å; V193-L195 PolarHBondContact O-N 3.41Å; V193-L196 PolarHBondContact O-N 3.35Å; V193-I197 HydrophobicContact CG1-CD1 3.93Å; V193-I197 WeakPolarHBondContact O-CD1 3.04Å; V193-I197 VanDerWaalsContact O-CG1 3.28Å; V193-I197 WeakPolarHBondContact O-CG1 3.09Å; V193-I197 PolarHBondContact O-N 3.43Å
194	P	65.4	Low	58.2	Low	66 Å²	66	101.8 Å²	101.8	43%	0.429	58%	0.583	S	S	.	*	H	α-helix	trans	-66.6	-28	177.3	19.8	-27.4	0	0	0	113.8	L190 S198	L190-P194 WeakPolarHBondContact O-CD 3.18Å; P194-S198 PolarHBondContact O-N 2.97Å; P194-S198 PolarHBondContact O-OG 3.16Å
195	L	58.5	Low	58.8	Low	118 Å²	118	104.3 Å²	104.3	62%	0.618	59%	0.59	S	S	*	*	H	α-helix	trans	-67.2	-42.2	177.3	-134.7	79.9	0	0	0	111.7	L192 V193 S198 T199	L192-L195 PolarHBondContact O-N 3.23Å; V193-L195 VanDerWaalsContact C-N 3.3Å; V193-L195 PolarHBondContact O-N 3.41Å; L195-S198 PolarHBondContact O-N 3.01Å; L195-T199 PolarHBondContact O-N 3.22Å; L195-T199 PolarHBondContact O-OG1 3.39Å
196	L	62.3	Low	59.4	Low	108 Å²	108	107.8 Å²	107.8	57%	0.565	61%	0.606	S	S	*	*	H	α-helix	trans	-66.8	-39.3	176.9	-70	166.4	0	0	0	112.1	L192 V193 S198 T199 L200	L192-L196 WeakPolarHBondContact O-CG 3.41Å; L192-L196 PolarHBondContact O-N 2.83Å; L192-L196 VanDerWaalsContact O-N 3.17Å; V193-L196 PolarHBondContact O-N 3.35Å; L196-S198 VanDerWaalsContact C-N 3.34Å; L196-T199 WeakPolarHBondContact CA-OG1 3.45Å; L196-T199 PolarHBondContact O-N 3.08Å; L196-T199 PolarHBondContact O-OG1 3.39Å; L196-L200 WeakPolarHBondContact O-CD1 3.5Å; L196-L200 WeakPolarHBondContact O-CG 3.3Å; L196-L200 PolarHBondContact O-N 2.85Å; L196-L200 VanDerWaalsContact O-N 3.13Å
197	I	64.9	Low	59.7	Low	84 Å²	84	108.3 Å²	108.3	43%	0.431	60%	0.603	S	S	.	*	H	α-helix	trans	-62.5	-43.9	175.5	-65.4	166.5	0	0	0	109.8	V193 T199 L200 F201	V193-I197 HydrophobicContact CG1-CD1 3.93Å; V193-I197 WeakPolarHBondContact O-CD1 3.04Å; V193-I197 VanDerWaalsContact O-CG1 3.28Å; V193-I197 WeakPolarHBondContact O-CG1 3.09Å; V193-I197 PolarHBondContact O-N 3.43Å; I197-T199 VanDerWaalsContact C-N 3.27Å; I197-T199 PolarHBondContact O-N 3.3Å; I197-L200 PolarHBondContact O-N 3.13Å; I197-L200 VanDerWaalsContact O-N 3.17Å; I197-F201 HydrophobicContact CG2-CD2 3.65Å; I197-F201 HydrophobicContact CG2-CE2 3.84Å; I197-F201 WeakPolarHBondContact O-CD2 3.26Å; I197-F201 PolarHBondContact O-N 3.42Å; I197-F201 VanDerWaalsContact O-N 3.17Å
198	S	63.5	Low	60.1	Low	80 Å²	80	109.5 Å²	109.5	56%	0.559	61%	0.607	S	S	*	*	H	α-helix	trans	-62.6	-31.7	179.5	-52.9	0	0	0	0	113.3	P194 L195 L196 S202	P194-S198 PolarHBondContact O-N 2.97Å; P194-S198 PolarHBondContact O-OG 3.16Å; L195-S198 PolarHBondContact O-N 3.01Å; L196-S198 VanDerWaalsContact C-N 3.34Å; S198-S202 WeakPolarHBondContact O-CB 3.35Å
199	T	61.1	Low	60.5	Low	103 Å²	103	110.1 Å²	110.1	63%	0.632	61%	0.612	S	S	*	*	H	α-helix	trans	-82.8	-21.6	176.5	52.4	0	0	0	0	114.4	L195 L196 I197	L195-T199 PolarHBondContact O-N 3.22Å; L195-T199 PolarHBondContact O-OG1 3.39Å; L196-T199 WeakPolarHBondContact CA-OG1 3.45Å; L196-T199 PolarHBondContact O-N 3.08Å; L196-T199 PolarHBondContact O-OG1 3.39Å; I197-T199 VanDerWaalsContact C-N 3.27Å; I197-T199 PolarHBondContact O-N 3.3Å
200	L	62	Low	60.6	Low	134 Å²	134	110 Å²	110	70%	0.702	61%	0.614	S	S	*	*	H	α-helix	trans	-86.4	-21.2	178.9	-76.1	162	0	0	0	112.8	L196 I197	L196-L200 WeakPolarHBondContact O-CD1 3.5Å; L196-L200 WeakPolarHBondContact O-CG 3.3Å; L196-L200 PolarHBondContact O-N 2.85Å; L196-L200 VanDerWaalsContact O-N 3.13Å; I197-L200 PolarHBondContact O-N 3.13Å; I197-L200 VanDerWaalsContact O-N 3.17Å
201	F	57.8	Low	60.7	Low	178 Å²	178	109.3 Å²	109.3	78%	0.781	61%	0.614	S	S	*	*			trans	-111.3	21.1	179.6	-65.9	-73.7	0	0	0	113.3	I197	I197-F201 HydrophobicContact CG2-CD2 3.65Å; I197-F201 HydrophobicContact CG2-CE2 3.84Å; I197-F201 WeakPolarHBondContact O-CD2 3.26Å; I197-F201 PolarHBondContact O-N 3.42Å; I197-F201 VanDerWaalsContact O-N 3.17Å
202	S	51	Low	60.8	Low	159 Å²	159	108.9 Å²	108.9	100%	1.112	62%	0.616	S	S	*	*			trans	-110.6	0	172.9	-169.8	0	0	0	0	112.8	S198	S198-S202 WeakPolarHBondContact O-CB 3.35Å

Retrieved 202 of 202 residues in 131.9 ms (Link to these results)

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