A0A096NRQ4_PAPAN Loading...

Epididymal-specific lipocalin-12

Binds all-trans retinoic acid and may act as a retinoid carrier protein within the epididymis. May play a role in male fertility.

AlphaFold DB , UniProt , Accession A0A096NRQ4, Species PAPAN (Papio anubis, Olive baboon), Gene LCN12, Length 192 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	M	35.9	Very low	64	Low	239 Å²	239	107.2 Å²	107.2	100%	1.177	54%	0.537	S	S	*	.				0	123.3	0	-75.2	163.4	128.6	0	0	108.2
2	R	52.9	Low	63.9	Low	188 Å²	188	101.9 Å²	101.9	71%	0.709	52%	0.518	S	S	*	.	P	Polyproline II helix	trans	-75.8	124.1	-179.8	-63.8	177.3	178.8	177.8	-2.7	108.6
3	L	56.2	Low	63.8	Low	100 Å²	100	102.8 Å²	102.8	52%	0.524	52%	0.524	S	S	.	.	P	Polyproline II helix	trans	-78.1	121.7	177.5	-72.3	155.8	0	0	0	109	L7 W8	L3-L7 HydrophobicContact CD2-CD2 3.47Å; L3-L7 VanDerWaalsContact CD2-CD2 3.47Å; L3-W8 VanDerWaalsContact CB-NE1 3.33Å; L3-W8 HydrophobicContact CD1-CZ2 4.41Å
4	P	69.3	Low	63.7	Low	86 Å²	86	102.6 Å²	102.6	56%	0.558	52%	0.523	S	S	*	.	P	Polyproline II helix	trans	-68.8	142.7	-177.2	25.9	-31.7	0	0	0	111.3	G6 L7	P4-G6 PolarHBondContact O-N 3.49Å; P4-G6 VanDerWaalsContact O-N 3.07Å; P4-L7 HydrophobicContact CG-CB 4.19Å; P4-L7 WeakPolarHBondContact O-CB 3.34Å; P4-L7 PolarHBondContact O-N 3.31Å
5	C	72.1	Confident	63.2	Low	45 Å²	45	102.7 Å²	102.7	30%	0.304	52%	0.518	S	S	.	.	H	α-helix	trans	-52.7	-33.5	-178.7	-179.8	0	0	0	0	113.3	L7 W8 L9 C165	C5-L7 VanDerWaalsContact C-N 3.28Å; C5-L7 PolarHBondContact O-N 2.87Å; C5-W8 PolarHBondContact O-N 3.34Å; C5-L9 PolarHBondContact O-N 3.39Å; C5-L9 VanDerWaalsContact O-N 3.08Å; C5-C165 HydrophobicContact CB-CB 3.86Å; C5-C165 WeakPolarHBondContact CB-SG 3.35Å; C5-C165 WeakPolarHBondContact SG-CB 3.41Å; C5-C165 CovalentContact SG-SG 2.03Å; C5-C165 PolarHBondContact SG-SG 3.33Å
6	G	69.4	Low	62.9	Low	46 Å²	46	103.6 Å²	103.6	47%	0.474	53%	0.53	S	S	.	.	H	α-helix	trans	-57.7	-37.2	174.3	0	0	0	0	0	113.5	P4 W10	P4-G6 PolarHBondContact O-N 3.49Å; P4-G6 VanDerWaalsContact O-N 3.07Å; G6-W10 VanDerWaalsContact O-CB 3.28Å; G6-W10 WeakPolarHBondContact O-CB 3.41Å; G6-W10 PolarHBondContact O-N 3.26Å
7	L	73.2	Confident	62.7	Low	72 Å²	72	107.1 Å²	107.1	38%	0.377	55%	0.549	S	S	.	.	H	α-helix	trans	-69.1	-38.4	178.5	-177.6	61.7	0	0	0	111.8	L3 P4 C5 L11	L3-L7 HydrophobicContact CD2-CD2 3.47Å; L3-L7 VanDerWaalsContact CD2-CD2 3.47Å; P4-L7 HydrophobicContact CG-CB 4.19Å; P4-L7 WeakPolarHBondContact O-CB 3.34Å; P4-L7 PolarHBondContact O-N 3.31Å; C5-L7 VanDerWaalsContact C-N 3.28Å; C5-L7 PolarHBondContact O-N 2.87Å; L7-L11 HydrophobicContact CD1-CD1 4.3Å; L7-L11 HydrophobicContact CD1-CG 4.4Å; L7-L11 HydrophobicContact CG-CD1 4.09Å; L7-L11 WeakPolarHBondContact O-CB 3.28Å; L7-L11 WeakPolarHBondContact O-CD1 3.19Å; L7-L11 WeakPolarHBondContact O-CG 3.47Å; L7-L11 PolarHBondContact O-N 3.07Å
8	W	68.4	Low	62.8	Low	48 Å²	48	108.1 Å²	108.1	18%	0.182	55%	0.552	C	S	.	*	H	α-helix	trans	-65.5	-46.9	177.3	-72.5	72.7	0	0	0	111.5	L3 C5 L11 S12 P28 V122 L166 A169	L3-W8 VanDerWaalsContact CB-NE1 3.33Å; L3-W8 HydrophobicContact CD1-CZ2 4.41Å; C5-W8 PolarHBondContact O-N 3.34Å; W8-L11 PolarHBondContact O-N 3.2Å; W8-S12 PolarHBondContact O-N 2.93Å; W8-S12 VanDerWaalsContact O-N 3.12Å; W8-S12 PolarHBondContact O-OG 2.99Å; W8-S12 VanDerWaalsContact O-OG 3.07Å; W8-P28 HydrophobicContact CH2-CB 3.15Å; W8-P28 HydrophobicContact CH2-CG 3.72Å; W8-P28 HydrophobicContact CZ2-CB 4.25Å; W8-P28 HydrophobicContact CZ3-CB 3.36Å; W8-P28 HydrophobicContact CZ3-CG 3.78Å; W8-V122 HydrophobicContact CH2-CG1 3.86Å; W8-V122 HydrophobicContact CZ2-CG1 4.36Å; W8-L166 HydrophobicContact CE3-CD1 4.3Å; W8-L166 HydrophobicContact CH2-CD1 3.71Å; W8-L166 HydrophobicContact CZ3-CD1 3.39Å; W8-A169 HydrophobicContact CB-CB 4.25Å; W8-A169 HydrophobicContact CE3-CB 3.83Å
9	L	69.3	Low	61.9	Low	69 Å²	69	106.2 Å²	106.2	36%	0.361	56%	0.561	S	S	.	*	H	α-helix	trans	-66.5	-40.1	178.8	-68.1	169.8	0	0	0	111.6	C5 S12 L13	C5-L9 PolarHBondContact O-N 3.39Å; C5-L9 VanDerWaalsContact O-N 3.08Å; L9-S12 PolarHBondContact O-N 2.98Å; L9-L13 WeakPolarHBondContact O-CB 3.48Å; L9-L13 WeakPolarHBondContact O-CD1 3.42Å; L9-L13 WeakPolarHBondContact O-CG 3.41Å; L9-L13 PolarHBondContact O-N 2.88Å
10	W	69.4	Low	61.3	Low	181 Å²	181	107 Å²	107	69%	0.686	56%	0.562	S	S	*	*	H	α-helix	trans	-59.9	-47.2	173.7	-107.6	44.2	0	0	0	112.6	G6 S12 L13 L14	G6-W10 VanDerWaalsContact O-CB 3.28Å; G6-W10 WeakPolarHBondContact O-CB 3.41Å; G6-W10 PolarHBondContact O-N 3.26Å; W10-S12 PolarHBondContact O-N 3.25Å; W10-L13 PolarHBondContact O-N 3.3Å; W10-L14 HydrophobicContact CE3-CD1 4.27Å; W10-L14 WeakPolarHBondContact O-CD1 2.96Å; W10-L14 PolarHBondContact O-N 3.18Å
11	L	68	Low	60.8	Low	105 Å²	105	107.9 Å²	107.9	55%	0.55	57%	0.572	S	S	.	*	H	α-helix	trans	-61	-32.7	177.9	-73.8	166.6	0	0	0	112.1	L7 W8	L7-L11 HydrophobicContact CD1-CD1 4.3Å; L7-L11 HydrophobicContact CD1-CG 4.4Å; L7-L11 HydrophobicContact CG-CD1 4.09Å; L7-L11 WeakPolarHBondContact O-CB 3.28Å; L7-L11 WeakPolarHBondContact O-CD1 3.19Å; L7-L11 WeakPolarHBondContact O-CG 3.47Å; L7-L11 PolarHBondContact O-N 3.07Å; W8-L11 PolarHBondContact O-N 3.2Å
12	S	63.1	Low	61.7	Low	44 Å²	44	102.8 Å²	102.8	31%	0.308	56%	0.557	S	S	.	*	H	α-helix	trans	-74.7	-44.4	175.1	-58.6	0	0	0	0	112.4	W8 L9 W10 K15	W8-S12 PolarHBondContact O-N 2.93Å; W8-S12 VanDerWaalsContact O-N 3.12Å; W8-S12 PolarHBondContact O-OG 2.99Å; W8-S12 VanDerWaalsContact O-OG 3.07Å; L9-S12 PolarHBondContact O-N 2.98Å; W10-S12 PolarHBondContact O-N 3.25Å; S12-K15 PolarHBondContact O-N 3.23Å
13	L	62.6	Low	61.9	Low	114 Å²	114	103.5 Å²	103.5	60%	0.597	56%	0.559	S	S	*	*	H	α-helix	trans	-63.9	-40.5	179.9	-84.7	155	0	0	0	112.9	L9 W10 K15 V16 L17	L9-L13 WeakPolarHBondContact O-CB 3.48Å; L9-L13 WeakPolarHBondContact O-CD1 3.42Å; L9-L13 WeakPolarHBondContact O-CG 3.41Å; L9-L13 PolarHBondContact O-N 2.88Å; W10-L13 PolarHBondContact O-N 3.3Å; L13-K15 PolarHBondContact O-N 3.31Å; L13-V16 PolarHBondContact O-N 3.29Å; L13-L17 PolarHBondContact O-N 3.25Å
14	L	61.9	Low	62.3	Low	99 Å²	99	102.5 Å²	102.5	52%	0.518	56%	0.558	S	S	.	*	H	α-helix	trans	-58.2	-33.7	177.2	-102.5	104.3	0	0	0	112.6	W10 Q18	W10-L14 HydrophobicContact CE3-CD1 4.27Å; W10-L14 WeakPolarHBondContact O-CD1 2.96Å; W10-L14 PolarHBondContact O-N 3.18Å; L14-Q18 WeakPolarHBondContact O-CG 3.47Å
15	K	56.6	Low	62.5	Low	104 Å²	104	101 Å²	101	45%	0.452	55%	0.549	S	S	.	.	H	α-helix	trans	-74	-33	-179.5	-68.9	178.8	178.4	177.7	0	112.6	S12 L13 Q18 T26	S12-K15 PolarHBondContact O-N 3.23Å; L13-K15 PolarHBondContact O-N 3.31Å; K15-Q18 PolarHBondContact O-N 3.42Å; K15-T26 PolarHBondContact NZ-OG1 3.29Å
16	V	58	Low	63	Low	117 Å²	117	103.1 Å²	103.1	71%	0.709	56%	0.56	S	S	*	*	H	α-helix	trans	-67.3	-39.6	176.8	178.3	0	0	0	0	110.8	L13 Q18 G19	L13-V16 PolarHBondContact O-N 3.29Å; V16-Q18 PolarHBondContact O-N 3.44Å; V16-G19 PolarHBondContact O-N 3.42Å
17	L	60.4	Low	63.9	Low	163 Å²	163	101.4 Å²	101.4	85%	0.853	54%	0.541	S	S	*	.	H	α-helix	trans	-66.9	-21.5	-179.6	-147.1	78.1	0	0	0	113.2	L13 G19	L13-L17 PolarHBondContact O-N 3.25Å; L17-G19 VanDerWaalsContact C-N 3.32Å; L17-G19 PolarHBondContact O-N 3.06Å
18	Q	64.3	Low	64.7	Low	126 Å²	126	98.4 Å²	98.4	59%	0.589	53%	0.525	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.6	6.2	-177.8	-72.8	-178.5	-22.1	0	0	114.6	L14 K15 V16 Q20	L14-Q18 WeakPolarHBondContact O-CG 3.47Å; K15-Q18 PolarHBondContact O-N 3.42Å; V16-Q18 PolarHBondContact O-N 3.44Å; Q18-Q20 HydrophobicContact CB-CG 4.48Å; Q18-Q20 PolarHBondContact O-N 3.14Å
19	G	44.7	Very low	65.8	Low	71 Å²	71	100.4 Å²	100.4	73%	0.732	55%	0.545	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.2	17.3	172	0	0	0	0	0	115.1	V16 L17	V16-G19 PolarHBondContact O-N 3.42Å; L17-G19 VanDerWaalsContact C-N 3.32Å; L17-G19 PolarHBondContact O-N 3.06Å
20	Q	50.8	Low	67	Low	123 Å²	123	97.8 Å²	97.8	58%	0.575	53%	0.531	S	S	*	.			trans	-71	137.2	173.1	-61.3	-173.1	2.9	0	0	108.6	Q18	Q18-Q20 HydrophobicContact CB-CG 4.48Å; Q18-Q20 PolarHBondContact O-N 3.14Å
21	T	50.5	Low	68.2	Low	125 Å²	125	90.1 Å²	90.1	77%	0.767	50%	0.504	S	S	*	.			trans	-46.2	143.9	168	27.1	0	0	0	0	109.6	R23	T21-R23 VanDerWaalsContact C-N 3.26Å; T21-R23 PolarHBondContact O-N 2.8Å
22	P	53.8	Low	69.3	Low	133 Å²	133	93.5 Å²	93.5	86%	0.864	52%	0.516	S	S	*	.			trans	-61.9	87.9	-173.6	-18.9	30.4	0	0	0	110.7
23	R	57.2	Low	70.6	Confident	203 Å²	203	96.1 Å²	96.1	77%	0.766	54%	0.535	S	S	*	.	P	Polyproline II helix	trans	-70.7	134.4	173.1	-170.7	174.5	-177.1	166	1.3	105.7	T21	T21-R23 VanDerWaalsContact C-N 3.26Å; T21-R23 PolarHBondContact O-N 2.8Å
24	P	65.2	Low	72.2	Confident	78 Å²	78	91.8 Å²	91.8	51%	0.506	51%	0.511	S	S	.	.	P	Polyproline II helix	trans	-49.9	135.9	175.5	13.1	-25.4	0	0	0	109.4	T26	P24-T26 PolarHBondContact O-N 3.39Å
25	P	74.7	Confident	73.9	Confident	56 Å²	56	91.6 Å²	91.6	36%	0.364	51%	0.508	S	S	.	.	P	Polyproline II helix	trans	-47.6	133.1	-177.8	-29.4	35.2	0	0	0	110.5	L27	P25-L27 PolarHBondContact O-N 3.03Å
26	T	82.6	Confident	75.8	Confident	88 Å²	88	87.4 Å²	87.4	54%	0.54	49%	0.494	S	S	.	.	P	Polyproline II helix	trans	-63.6	133.3	174.4	-44.1	0	0	0	0	107.7	K15 P24 Q170	K15-T26 PolarHBondContact NZ-OG1 3.29Å; P24-T26 PolarHBondContact O-N 3.39Å; T26-Q170 PolarHBondContact O-NE2 3.26Å
27	L	86.9	Confident	77.7	Confident	11 Å²	11	87.5 Å²	87.5	6%	0.058	49%	0.49	C	S	.	.	P	Polyproline II helix	trans	-64.2	137.8	174.7	-62.5	-171.6	0	0	0	109.4	P25 E118 R120 L133 R135 L144	P25-L27 PolarHBondContact O-N 3.03Å; L27-E118 HydrophobicContact CD1-CB 4.5Å; L27-R120 PolarHBondContact O-NH1 3.28Å; L27-L133 HydrophobicContact CB-CD2 4.44Å; L27-L133 HydrophobicContact CD1-CD2 3.87Å; L27-L133 HydrophobicContact CD2-CD1 4.28Å; L27-L133 HydrophobicContact CD2-CD2 3.34Å; L27-L133 HydrophobicContact CD2-CG 4.46Å; L27-L133 HydrophobicContact CG-CD2 4.04Å; L27-R135 HydrophobicContact CD1-CB 3.82Å; L27-R135 HydrophobicContact CD2-CB 4.18Å; L27-R135 HydrophobicContact CG-CB 4.5Å; L27-R135 VanDerWaalsContact CG-CZ 3.47Å; L27-L144 HydrophobicContact CD2-CD1 4.1Å
28	P	91.1	Very high	79.5	Confident	8 Å²	8	83.8 Å²	83.8	5%	0.052	47%	0.469	C	S	.	.	P	Polyproline II helix	trans	-63.8	156.1	177.7	28.8	-35.9	0	0	0	111.4	W8 R120 V122 L133 L166	W8-P28 HydrophobicContact CH2-CB 3.15Å; W8-P28 HydrophobicContact CH2-CG 3.72Å; W8-P28 HydrophobicContact CZ2-CB 4.25Å; W8-P28 HydrophobicContact CZ3-CB 3.36Å; W8-P28 HydrophobicContact CZ3-CG 3.78Å; P28-R120 WeakPolarHBondContact O-CD 3.38Å; P28-R120 PolarHBondContact O-NH1 3.18Å; P28-V122 HydrophobicContact CB-CG1 4.44Å; P28-V122 HydrophobicContact CG-CG1 4.11Å; P28-V122 HydrophobicContact CG-CG2 3.92Å; P28-L133 HydrophobicContact CG-CD1 4.09Å; P28-L166 HydrophobicContact CG-CD1 3.95Å
29	P	90.9	Very high	81.1	Confident	91 Å²	91	77.9 Å²	77.9	59%	0.591	44%	0.441	S	S	*	.	P	Polyproline II helix	trans	-58.4	150.3	173.9	27.6	-34.7	0	0	0	110.7
30	P	94.4	Very high	83.6	Confident	13 Å²	13	77.9 Å²	77.9	8%	0.084	42%	0.422	C	S	.	.	P	Polyproline II helix	trans	-61.2	161	167.9	33.4	-40.2	0	0	0	109.8	Q32 Q100 Q103 R120 V121	P30-Q32 PolarHBondContact O-N 3.41Å; P30-Q100 HydrophobicContact CG-CB 4.25Å; P30-Q103 HydrophobicContact CB-CG 3.74Å; P30-Q103 VanDerWaalsContact CD-NE2 3.29Å; P30-Q103 HydrophobicContact CG-CG 3.65Å; P30-R120 HydrophobicContact CB-CB 4.36Å; P30-V121 CarbonylContact C-O 3.56Å; P30-V121 WeakPolarHBondContact CA-O 3.3Å
31	M	94.1	Very high	85.9	Confident	21 Å²	21	73.3 Å²	73.3	10%	0.103	41%	0.408	C	S	.	.	P	Polyproline II helix	trans	-59.1	139.6	171.1	64.3	-175.3	-98.8	0	0	110.9	F34 V121 Y126	M31-F34 HydrophobicContact CE-CB 4.4Å; M31-F34 HydrophobicContact CE-CD2 3.88Å; M31-F34 HydrophobicContact CG-CB 4.03Å; M31-F34 HydrophobicContact CG-CD2 4.02Å; M31-F34 HydrophobicContact SD-CD2 3.75Å; M31-V121 HydrophobicContact CG-CB 4.28Å; M31-V121 HydrophobicContact CG-CG1 4.23Å; M31-V121 PolarHBondContact N-O 2.85Å; M31-V121 HydrophobicContact SD-CB 4.02Å; M31-V121 HydrophobicContact SD-CG1 3.38Å; M31-V121 WeakPolarHBondContact SD-CG1 3.38Å; M31-Y126 HydrophobicContact CE-CE1 3.56Å; M31-Y126 HydrophobicContact CE-CE2 4.12Å; M31-Y126 WeakPolarHBondContact CE-OH 3.33Å
32	Q	90.7	Very high	88.1	Confident	175 Å²	175	72 Å²	72	82%	0.818	39%	0.393	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.4	141.7	178	-67.6	179.9	-14.1	0	0	110.5	P30 F34	P30-Q32 PolarHBondContact O-N 3.41Å; Q32-F34 VanDerWaalsContact C-N 3.31Å; Q32-F34 PolarHBondContact O-N 3.45Å
33	S	90.7	Very high	90.2	Very high	99 Å²	99	65.7 Å²	65.7	69%	0.692	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.8	43.5	174.8	-55.2	0	0	0	0	113.7	Q35 Y126	S33-Q35 WeakPolarHBondContact O-CG 3.03Å; S33-Q35 PolarHBondContact O-N 3.19Å; S33-Y126 PolarHBondContact O-OH 2.88Å
34	F	96.7	Very high	91.9	Very high	23 Å²	23	57.6 Å²	57.6	10%	0.101	32%	0.322	C	S	.	.			trans	-55.4	130.3	175.6	175.8	-97.4	0	0	0	112	M31 Q32 F39 F76 P101 G102 F104 V121 Y126	M31-F34 HydrophobicContact CE-CB 4.4Å; M31-F34 HydrophobicContact CE-CD2 3.88Å; M31-F34 HydrophobicContact CG-CB 4.03Å; M31-F34 HydrophobicContact CG-CD2 4.02Å; M31-F34 HydrophobicContact SD-CD2 3.75Å; Q32-F34 VanDerWaalsContact C-N 3.31Å; Q32-F34 PolarHBondContact O-N 3.45Å; F34-F39 HydrophobicContact CE2-CB 3.65Å; F34-F39 HydrophobicContact CE2-CD1 4.1Å; F34-F39 AromaticContact CE2-CD2 3.74Å; F34-F39 HydrophobicContact CE2-CD2 3.74Å; F34-F39 HydrophobicContact CE2-CE2 4.43Å; F34-F39 AromaticContact CE2-CG 3.54Å; F34-F39 HydrophobicContact CE2-CG 3.54Å; F34-F39 HydrophobicContact CZ-CB 3.55Å; F34-F39 AromaticContact CZ-CD1 3.86Å; F34-F39 HydrophobicContact CZ-CD1 3.86Å; F34-F39 HydrophobicContact CZ-CD2 4.3Å; F34-F39 AromaticContact CZ-CG 3.62Å; F34-F39 HydrophobicContact CZ-CG 3.62Å; F34-F76 HydrophobicContact CE1-CE2 4.09Å; F34-F76 HydrophobicContact CZ-CE2 4.01Å; F34-F76 HydrophobicContact CZ-CZ 4.38Å; F34-P101 HydrophobicContact CB-CB 4.02Å; F34-G102 VanDerWaalsContact CG-CA 3.42Å; F34-F104 HydrophobicContact CD1-CZ 4.41Å; F34-F104 HydrophobicContact CE1-CE2 4.18Å; F34-F104 AromaticContact CE1-CZ 3.69Å; F34-F104 HydrophobicContact CE1-CZ 3.69Å; F34-F104 HydrophobicContact CZ-CE2 4.28Å; F34-F104 HydrophobicContact CZ-CZ 4.1Å; F34-V121 HydrophobicContact CD2-CB 4.12Å; F34-V121 HydrophobicContact CD2-CG1 4.42Å; F34-V121 HydrophobicContact CD2-CG2 4.18Å; F34-V121 HydrophobicContact CE2-CB 4.06Å; F34-V121 HydrophobicContact CE2-CG1 4.3Å; F34-V121 HydrophobicContact CE2-CG2 3.65Å; F34-V121 HydrophobicContact CZ-CG2 4.25Å; F34-Y126 HydrophobicContact CD2-CE1 4.44Å
35	Q	97.3	Very high	93.3	Very high	96 Å²	96	54.1 Å²	54.1	45%	0.449	30%	0.3	S	S	.	.			trans	-115	101.2	179.4	-56.8	-167.8	32.7	0	0	110.6	S33 N37 Q38 F39 Y126	S33-Q35 WeakPolarHBondContact O-CG 3.03Å; S33-Q35 PolarHBondContact O-N 3.19Å; Q35-N37 VanDerWaalsContact C-N 3.29Å; Q35-N37 PolarHBondContact O-N 3.48Å; Q35-Q38 HydrophobicContact CB-CB 4.35Å; Q35-Q38 HydrophobicContact CB-CG 4.18Å; Q35-Q38 PolarHBondContact O-N 3.08Å; Q35-Q38 VanDerWaalsContact O-N 3.09Å; Q35-F39 PolarHBondContact O-N 3.38Å; Q35-Y126 HydrophobicContact CB-CE1 4.29Å; Q35-Y126 PolarHBondContact N-OH 2.78Å
36	G	96.8	Very high	94.1	Very high	15 Å²	15	52.4 Å²	52.4	16%	0.155	29%	0.287	C	S	.	.	H	α-helix	trans	-55.6	-42.3	-178.2	0	0	0	0	0	113.1	Q38 F39 Q40	G36-Q38 PolarHBondContact O-N 3.2Å; G36-F39 PolarHBondContact O-N 2.81Å; G36-Q40 PolarHBondContact O-N 2.95Å
37	N	97.4	Very high	94.5	Very high	119 Å²	119	48.2 Å²	48.2	64%	0.636	26%	0.262	S	S	*	.	H	α-helix	trans	-59.7	-29.8	179.2	-88.6	-24.5	0	0	0	114.2	Q35 Q40 L70	Q35-N37 VanDerWaalsContact C-N 3.29Å; Q35-N37 PolarHBondContact O-N 3.48Å; N37-Q40 WeakPolarHBondContact O-CG 3.39Å; N37-Q40 PolarHBondContact O-NE2 2.03Å; N37-Q40 PolarHBondContact OD1-NE2 3.42Å; N37-L70 VanDerWaalsContact OD1-CD2 3.27Å; N37-L70 WeakPolarHBondContact OD1-CD2 3.03Å
38	Q	98.1	Very high	94.9	Very high	86 Å²	86	48.1 Å²	48.1	40%	0.402	26%	0.261	S	S	.	.	H	α-helix	trans	-85.8	-25.5	175.6	-61.8	-167.7	49.2	0	0	112	Q35 G36 Y126 R151	Q35-Q38 HydrophobicContact CB-CB 4.35Å; Q35-Q38 HydrophobicContact CB-CG 4.18Å; Q35-Q38 PolarHBondContact O-N 3.08Å; Q35-Q38 VanDerWaalsContact O-N 3.09Å; G36-Q38 PolarHBondContact O-N 3.2Å; Q38-Y126 HydrophobicContact CB-CD1 3.63Å; Q38-Y126 HydrophobicContact CB-CD2 4.14Å; Q38-Y126 HydrophobicContact CB-CE1 4.15Å; Q38-Y126 HydrophobicContact CB-CG 3.6Å; Q38-R151 PolarHBondContact O-NH2 2.8Å
39	F	98.3	Very high	95.1	Very high	1 Å²	1	47.8 Å²	47.8	0%	0.004	26%	0.259	C	S	.	.	H	α-helix	trans	-80.4	-28.1	-177.7	-169.3	-99.7	0	0	0	113.5	F34 Q35 G36 W43 F68 F76 V121 Y126 A130 M132 L149 R151	F34-F39 HydrophobicContact CE2-CB 3.65Å; F34-F39 HydrophobicContact CE2-CD1 4.1Å; F34-F39 AromaticContact CE2-CD2 3.74Å; F34-F39 HydrophobicContact CE2-CD2 3.74Å; F34-F39 HydrophobicContact CE2-CE2 4.43Å; F34-F39 AromaticContact CE2-CG 3.54Å; F34-F39 HydrophobicContact CE2-CG 3.54Å; F34-F39 HydrophobicContact CZ-CB 3.55Å; F34-F39 AromaticContact CZ-CD1 3.86Å; F34-F39 HydrophobicContact CZ-CD1 3.86Å; F34-F39 HydrophobicContact CZ-CD2 4.3Å; F34-F39 AromaticContact CZ-CG 3.62Å; F34-F39 HydrophobicContact CZ-CG 3.62Å; Q35-F39 PolarHBondContact O-N 3.38Å; G36-F39 PolarHBondContact O-N 2.81Å; F39-W43 HydrophobicContact CD2-CZ2 4.06Å; F39-W43 HydrophobicContact CE2-CZ2 4.08Å; F39-W43 PolarHBondContact O-NE1 2.89Å; F39-F68 HydrophobicContact CD1-CD1 4.42Å; F39-F68 AromaticContact CE1-CD1 3.82Å; F39-F68 HydrophobicContact CE1-CD1 3.82Å; F39-F68 HydrophobicContact CE1-CD2 4.4Å; F39-F68 AromaticContact CE1-CE1 3.87Å; F39-F68 HydrophobicContact CE1-CE1 3.87Å; F39-F68 HydrophobicContact CE1-CE2 4.44Å; F39-F68 HydrophobicContact CE1-CG 4.1Å; F39-F68 HydrophobicContact CE1-CZ 4.19Å; F39-F76 HydrophobicContact CB-CZ 4.4Å; F39-F76 HydrophobicContact CD1-CE2 4.38Å; F39-F76 HydrophobicContact CD1-CZ 4.11Å; F39-V121 HydrophobicContact CD2-CG1 4.46Å; F39-V121 HydrophobicContact CE1-CG2 4.29Å; F39-V121 HydrophobicContact CE2-CG1 3.9Å; F39-V121 HydrophobicContact CE2-CG2 4.09Å; F39-V121 HydrophobicContact CZ-CG1 4.44Å; F39-V121 HydrophobicContact CZ-CG2 3.92Å; F39-Y126 HydrophobicContact CB-CD1 4.15Å; F39-Y126 HydrophobicContact CB-CE1 4.41Å; F39-Y126 HydrophobicContact CD2-CD1 4.39Å; F39-A130 HydrophobicContact CE2-CB 3.65Å; F39-A130 HydrophobicContact CZ-CB 4.29Å; F39-M132 HydrophobicContact CE1-SD 4.22Å; F39-M132 HydrophobicContact CZ-CG 4.3Å; F39-M132 HydrophobicContact CZ-SD 3.77Å; F39-L149 HydrophobicContact CZ-CD1 4.23Å; F39-R151 PolarHBondContact O-NH2 3.45Å
40	Q	98.4	Very high	95.3	Very high	72 Å²	72	43.4 Å²	43.4	34%	0.336	23%	0.231	S	C	.	.			trans	-56.9	168.3	-179	79	-175.3	-55.8	0	0	113.9	G36 N37 F68 L70 F76 R151	G36-Q40 PolarHBondContact O-N 2.95Å; N37-Q40 WeakPolarHBondContact O-CG 3.39Å; N37-Q40 PolarHBondContact O-NE2 2.03Å; N37-Q40 PolarHBondContact OD1-NE2 3.42Å; Q40-F68 CarbonylContact C-O 3.53Å; Q40-F68 VanDerWaalsContact CA-O 3.26Å; Q40-F68 WeakPolarHBondContact CA-O 3.32Å; Q40-F68 WeakPolarHBondContact CB-O 3.18Å; Q40-L70 HydrophobicContact CB-CB 4.33Å; Q40-F76 HydrophobicContact CB-CE1 3.88Å; Q40-R151 PolarHBondContact O-NH1 2.78Å; Q40-R151 VanDerWaalsContact O-NH1 3.14Å; Q40-R151 PolarHBondContact O-NH2 2.89Å
41	G	97.8	Very high	95.2	Very high	27 Å²	27	45.4 Å²	45.4	28%	0.278	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	92.8	-169.6	-177.6	0	0	0	0	0	113.1	F68	G41-F68 PolarHBondContact N-O 3.02Å; G41-F68 PolarHBondContact O-N 2.92Å
42	E	97.2	Very high	95	Very high	97 Å²	97	47.3 Å²	47.3	45%	0.453	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	139	-173	-173.2	177.5	77.1	0	0	113.3	T65 R151	E42-T65 HydrophobicContact CG-CG2 4.1Å; E42-R151 WeakPolarHBondContact O-CD 3.29Å; E42-R151 PolarHBondContact O-NH1 2.79Å
43	W	96.9	Very high	94.9	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	137.3	172.6	-66	87.4	0	0	0	110.6	F39 T65 A66 F68 Y126 F129 A130 L149 R151	F39-W43 HydrophobicContact CD2-CZ2 4.06Å; F39-W43 HydrophobicContact CE2-CZ2 4.08Å; F39-W43 PolarHBondContact O-NE1 2.89Å; W43-T65 CarbonylContact O-C 3.54Å; W43-T65 VanDerWaalsContact O-CA 3.3Å; W43-T65 WeakPolarHBondContact O-CA 3.17Å; W43-A66 PolarHBondContact N-O 2.93Å; W43-A66 PolarHBondContact O-N 2.95Å; W43-F68 AromaticContact CD1-CD2 3.57Å; W43-F68 AromaticContact CD1-CE2 3.77Å; W43-F68 HydrophobicContact CG-CE2 4.39Å; W43-Y126 VanDerWaalsContact CH2-O 3.28Å; W43-Y126 WeakPolarHBondContact CH2-O 3.26Å; W43-Y126 WeakPolarHBondContact CZ2-O 3.39Å; W43-F129 VanDerWaalsContact CZ3-C 3.49Å; W43-A130 HydrophobicContact CH2-CB 4.18Å; W43-A130 HydrophobicContact CZ2-CB 4.49Å; W43-A130 HydrophobicContact CZ3-CB 4.26Å; W43-L149 HydrophobicContact CB-CB 4.1Å; W43-L149 HydrophobicContact CB-CD1 4.33Å; W43-L149 HydrophobicContact CB-CD2 4.45Å; W43-L149 HydrophobicContact CD2-CB 4.13Å; W43-L149 HydrophobicContact CD2-CD1 4.49Å; W43-L149 HydrophobicContact CE3-CB 3.81Å; W43-L149 HydrophobicContact CG-CB 4.29Å; W43-L149 HydrophobicContact CG-CD1 4.24Å; W43-R151 VanDerWaalsContact CE2-NE 3.31Å; W43-R151 HydrophobicContact CE3-CG 3.93Å; W43-R151 HydrophobicContact CH2-CG 3.94Å; W43-R151 VanDerWaalsContact CZ2-NH2 3.32Å; W43-R151 HydrophobicContact CZ3-CG 3.59Å
44	F	93.8	Very high	94.7	Very high	34 Å²	34	40.8 Å²	40.8	15%	0.149	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	132.6	164.2	-60.7	-73	0	0	0	109.9	L46 T65 L149 S150 W153	F44-L46 HydrophobicContact CB-CD2 3.8Å; F44-L46 HydrophobicContact CB-CG 4.16Å; F44-L46 PolarHBondContact O-N 3.07Å; F44-T65 HydrophobicContact CD1-CG2 3.85Å; F44-T65 HydrophobicContact CE1-CG2 3.86Å; F44-L149 CarbonylContact O-C 3.5Å; F44-L149 VanDerWaalsContact O-CA 3.29Å; F44-L149 WeakPolarHBondContact O-CA 3.36Å; F44-S150 PolarHBondContact N-O 2.77Å; F44-S150 PolarHBondContact O-N 3.34Å; F44-W153 AromaticContact CD1-CE2 3.89Å; F44-W153 AromaticContact CD1-CH2 3.91Å; F44-W153 HydrophobicContact CD1-CH2 3.91Å; F44-W153 AromaticContact CD1-CZ2 3.38Å; F44-W153 HydrophobicContact CD1-CZ2 3.38Å; F44-W153 AromaticContact CE1-CE2 3.81Å; F44-W153 HydrophobicContact CE1-CH2 4.36Å; F44-W153 AromaticContact CE1-CZ2 3.42Å; F44-W153 HydrophobicContact CE1-CZ2 3.42Å; F44-W153 VanDerWaalsContact CE1-CZ2 3.42Å; F44-W153 AromaticContact CE1-NE1 3.89Å; F44-W153 HydrophobicContact CG-CZ2 4.12Å; F44-W153 HydrophobicContact CZ-CZ2 4.19Å; F44-W153 AromaticContact CZ-NE1 3.74Å
45	V	93.6	Very high	94.1	Very high	4 Å²	4	42.2 Å²	42.2	2%	0.024	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	100.9	171.6	-170.7	0	0	0	0	108.7	L48 F64 A66 L149 P180	V45-L48 HydrophobicContact CG1-CD2 3.84Å; V45-L48 HydrophobicContact CG1-CG 4.13Å; V45-F64 HydrophobicContact CB-CD1 4.04Å; V45-F64 HydrophobicContact CB-CD2 4.11Å; V45-F64 HydrophobicContact CB-CE1 3.7Å; V45-F64 HydrophobicContact CB-CE2 3.77Å; V45-F64 HydrophobicContact CB-CG 4.25Å; V45-F64 HydrophobicContact CB-CZ 3.57Å; V45-F64 HydrophobicContact CG1-CE1 3.73Å; V45-F64 HydrophobicContact CG1-CE2 4.13Å; V45-F64 HydrophobicContact CG1-CZ 3.5Å; V45-F64 HydrophobicContact CG2-CD2 3.74Å; V45-F64 HydrophobicContact CG2-CE1 4.27Å; V45-F64 HydrophobicContact CG2-CE2 3.37Å; V45-F64 HydrophobicContact CG2-CG 4.34Å; V45-F64 HydrophobicContact CG2-CZ 3.68Å; V45-F64 PolarHBondContact N-O 3.12Å; V45-A66 HydrophobicContact CG2-CB 4.01Å; V45-L149 HydrophobicContact CB-CD2 4.26Å; V45-L149 HydrophobicContact CG1-CD2 4.27Å; V45-L149 HydrophobicContact CG2-CD2 3.64Å; V45-P180 WeakPolarHBondContact O-CG 3.13Å
46	L	91.7	Very high	93.5	Very high	21 Å²	21	43.6 Å²	43.6	11%	0.11	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96	-10.1	-173.1	-60.2	-172.6	0	0	0	113.8	F44 L148 W153 L155 F179 P180	F44-L46 HydrophobicContact CB-CD2 3.8Å; F44-L46 HydrophobicContact CB-CG 4.16Å; F44-L46 PolarHBondContact O-N 3.07Å; L46-L148 PolarHBondContact N-O 3.32Å; L46-W153 HydrophobicContact CD2-CE3 3.72Å; L46-W153 HydrophobicContact CD2-CZ3 3.69Å; L46-L155 HydrophobicContact CD1-CD1 4.4Å; L46-L155 HydrophobicContact CD1-CD2 4.07Å; L46-L155 HydrophobicContact CD1-CG 4Å; L46-F179 WeakPolarHBondContact O-CD1 3.12Å; L46-P180 WeakPolarHBondContact O-CD 3.25Å
47	G	92.8	Very high	92.8	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-163.5	145	178.1	0	0	0	0	0	112.2	L148	G47-L148 PolarHBondContact N-O 3.4Å; G47-L148 PolarHBondContact O-N 3.04Å
48	L	95	Very high	91.9	Very high	9 Å²	9	45.4 Å²	45.4	5%	0.047	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	137.4	177.1	-66.7	171.5	0	0	0	109.8	V45 F53 L61 F64 R145 I146 S147 I177 V178	V45-L48 HydrophobicContact CG1-CD2 3.84Å; V45-L48 HydrophobicContact CG1-CG 4.13Å; L48-F53 HydrophobicContact CB-CD2 4.31Å; L48-F53 HydrophobicContact CB-CE2 3.7Å; L48-F53 HydrophobicContact CB-CZ 3.97Å; L48-F53 HydrophobicContact CD1-CE1 4.46Å; L48-F53 HydrophobicContact CD1-CE2 4.47Å; L48-F53 HydrophobicContact CD1-CZ 3.9Å; L48-F53 HydrophobicContact CG-CZ 4.46Å; L48-L61 HydrophobicContact CD1-CD1 4.42Å; L48-L61 HydrophobicContact CD1-CD2 3.98Å; L48-F64 HydrophobicContact CD1-CE1 3.94Å; L48-F64 HydrophobicContact CD1-CZ 4.11Å; L48-R145 HydrophobicContact CD2-CG 4.49Å; L48-I146 CarbonylContact C-O 3.47Å; L48-I146 WeakPolarHBondContact CA-O 3.09Å; L48-S147 WeakPolarHBondContact CD2-OG 3.48Å; L48-I177 WeakPolarHBondContact O-CA 3.04Å; L48-V178 HydrophobicContact CB-CG2 3.83Å; L48-V178 PolarHBondContact N-O 3.37Å; L48-V178 WeakPolarHBondContact O-CG2 3.26Å; L48-V178 PolarHBondContact O-N 3.12Å; L48-V178 VanDerWaalsContact O-O 3.11Å
49	A	95.6	Very high	90.9	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	141.6	171.3	0	0	0	0	0	109.4	R145 I146 F163 S167 L172 N176 I177	A49-R145 CarbonylContact O-C 3.5Å; A49-R145 VanDerWaalsContact O-CA 3.3Å; A49-R145 WeakPolarHBondContact O-CA 3.18Å; A49-I146 HydrophobicContact CB-CB 4.28Å; A49-I146 PolarHBondContact N-O 3.24Å; A49-I146 PolarHBondContact O-N 2.72Å; A49-F163 HydrophobicContact CB-CE2 4.04Å; A49-F163 HydrophobicContact CB-CZ 3.71Å; A49-S167 VanDerWaalsContact CB-OG 3.24Å; A49-S167 WeakPolarHBondContact CB-OG 3.48Å; A49-L172 HydrophobicContact CB-CD1 3.83Å; A49-N176 VanDerWaalsContact CA-O 3.29Å; A49-N176 WeakPolarHBondContact CA-O 2.94Å; A49-I177 HydrophobicContact CB-CB 4.47Å; A49-I177 HydrophobicContact CB-CD1 4.49Å; A49-I177 HydrophobicContact CB-CG1 3.83Å; A49-I177 HydrophobicContact CB-CG2 4.46Å
50	G	94.3	Very high	89.7	Confident	0 Å²	0	50.1 Å²	50.1	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	174.1	151.5	-175.3	0	0	0	0	0	113.7	S52 F53 L144 N176	G50-S52 PolarHBondContact O-N 3.47Å; G50-F53 PolarHBondContact O-N 3.37Å; G50-L144 CarbonylContact C-O 3.5Å; G50-L144 WeakPolarHBondContact CA-O 3.48Å; G50-N176 PolarHBondContact N-O 2.03Å; G50-N176 WeakPolarHBondContact O-CB 3.22Å
51	N	92.2	Very high	88.8	Confident	55 Å²	55	47.6 Å²	47.6	29%	0.294	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.1	-12.9	-173.9	64.1	-10.1	0	0	0	113.8	R54 A142 L144 L172	N51-R54 PolarHBondContact O-NH1 2.63Å; N51-R54 PolarHBondContact O-NH2 3.18Å; N51-A142 PolarHBondContact ND2-O 3.27Å; N51-L144 PolarHBondContact N-O 2.96Å; N51-L144 PolarHBondContact OD1-N 2.79Å; N51-L172 HydrophobicContact CB-CD2 4.04Å
52	S	88.9	Confident	88	Confident	60 Å²	60	48.3 Å²	48.3	42%	0.42	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.5	-10.2	168.5	58.7	0	0	0	0	113.6	G50 H57	G50-S52 PolarHBondContact O-N 3.47Å; S52-H57 PolarHBondContact O-CE1 3.11Å; S52-H57 PolarHBondContact O-ND1 2.97Å
53	F	88.7	Confident	87.1	Confident	29 Å²	29	43.9 Å²	43.9	13%	0.127	23%	0.229	C	C	.	.			trans	-88.3	146.6	177.1	-60.9	-57.4	0	0	0	112	L48 G50 R145 N176 V178	L48-F53 HydrophobicContact CB-CD2 4.31Å; L48-F53 HydrophobicContact CB-CE2 3.7Å; L48-F53 HydrophobicContact CB-CZ 3.97Å; L48-F53 HydrophobicContact CD1-CE1 4.46Å; L48-F53 HydrophobicContact CD1-CE2 4.47Å; L48-F53 HydrophobicContact CD1-CZ 3.9Å; L48-F53 HydrophobicContact CG-CZ 4.46Å; G50-F53 PolarHBondContact O-N 3.37Å; F53-R145 HydrophobicContact CE2-CG 4.43Å; F53-N176 PolarHBondContact O-ND2 2.89Å; F53-V178 HydrophobicContact CB-CG1 4.17Å; F53-V178 HydrophobicContact CB-CG2 4.23Å; F53-V178 HydrophobicContact CD1-CG2 4.05Å; F53-V178 HydrophobicContact CD2-CG2 4.17Å; F53-V178 HydrophobicContact CG-CG2 3.9Å
54	R	86.4	Confident	86.7	Confident	108 Å²	108	44.7 Å²	44.7	41%	0.408	23%	0.232	S	C	.	.			trans	-140.6	158.1	179.5	-60.2	-69.2	179.7	-95.1	-1	108.6	N51 E56 H57 N176	N51-R54 PolarHBondContact O-NH1 2.63Å; N51-R54 PolarHBondContact O-NH2 3.18Å; R54-E56 HydrophobicContact CB-CG 4.06Å; R54-E56 WeakPolarHBondContact CB-OE1 3.49Å; R54-E56 WeakPolarHBondContact CB-OE2 3.28Å; R54-E56 WeakPolarHBondContact CG-OE1 3.27Å; R54-E56 PolarHBondContact O-N 3.28Å; R54-H57 PolarHBondContact N-ND1 3.35Å; R54-H57 WeakPolarHBondContact O-CB 3.43Å; R54-H57 PolarHBondContact O-N 2.76Å; R54-N176 PolarHBondContact NH1-ND2 3.41Å
55	P	85.2	Confident	86.7	Confident	54 Å²	54	43.4 Å²	43.4	35%	0.351	23%	0.227	S	C	.	.	G	3₁₀ helix	trans	-54	-36	-179.2	-28.3	37.1	0	0	0	113.9	H57 R58 D175	P55-H57 PolarHBondContact O-N 2.8Å; P55-R58 VanDerWaalsContact O-CB 3.28Å; P55-R58 WeakPolarHBondContact O-CB 3.32Å; P55-R58 WeakPolarHBondContact O-CD 3.33Å; P55-R58 WeakPolarHBondContact O-CG 3.43Å; P55-R58 PolarHBondContact O-N 3.26Å; P55-R58 VanDerWaalsContact O-N 3.15Å; P55-D175 WeakPolarHBondContact CD-O 3.4Å; P55-D175 HydrophobicContact CG-CB 4Å
56	E	84.4	Confident	86.8	Confident	124 Å²	124	43.3 Å²	43.3	58%	0.579	23%	0.227	S	C	*	.	G	3₁₀ helix	trans	-63	-25.7	177.4	58.9	-90	-156.3	0	0	113.8	R54 R58	R54-E56 HydrophobicContact CB-CG 4.06Å; R54-E56 WeakPolarHBondContact CB-OE1 3.49Å; R54-E56 WeakPolarHBondContact CB-OE2 3.28Å; R54-E56 WeakPolarHBondContact CG-OE1 3.27Å; R54-E56 PolarHBondContact O-N 3.28Å; E56-R58 PolarHBondContact O-N 3.31Å
57	H	82.4	Confident	87.1	Confident	63 Å²	63	43.8 Å²	43.8	29%	0.292	23%	0.231	S	C	.	.	G	3₁₀ helix	trans	-72.7	-12.7	177.8	-59.2	155.5	0	0	0	112.9	S52 R54 P55 A59 L60 L61	S52-H57 PolarHBondContact O-CE1 3.11Å; S52-H57 PolarHBondContact O-ND1 2.97Å; R54-H57 PolarHBondContact N-ND1 3.35Å; R54-H57 WeakPolarHBondContact O-CB 3.43Å; R54-H57 PolarHBondContact O-N 2.76Å; P55-H57 PolarHBondContact O-N 2.8Å; H57-A59 VanDerWaalsContact C-N 3.33Å; H57-A59 PolarHBondContact O-N 3.19Å; H57-L60 PolarHBondContact O-N 3.09Å; H57-L60 VanDerWaalsContact O-N 3.09Å; H57-L61 PolarHBondContact O-N 3.43Å
58	R	79	Confident	87.4	Confident	109 Å²	109	43.9 Å²	43.9	41%	0.411	23%	0.231	S	C	.	.	G	3₁₀ helix	trans	-58.5	-44.2	178.9	-68.8	176.2	178.2	-171.5	1.5	112	P55 E56 L60 L61 I177 V178	P55-R58 VanDerWaalsContact O-CB 3.28Å; P55-R58 WeakPolarHBondContact O-CB 3.32Å; P55-R58 WeakPolarHBondContact O-CD 3.33Å; P55-R58 WeakPolarHBondContact O-CG 3.43Å; P55-R58 PolarHBondContact O-N 3.26Å; P55-R58 VanDerWaalsContact O-N 3.15Å; E56-R58 PolarHBondContact O-N 3.31Å; R58-L60 PolarHBondContact O-N 2.92Å; R58-L60 VanDerWaalsContact O-N 3.14Å; R58-L61 PolarHBondContact O-N 3.14Å; R58-L61 VanDerWaalsContact O-N 3.12Å; R58-I177 PolarHBondContact NE-O 2.85Å; R58-I177 PolarHBondContact NH2-O 2.83Å; R58-V178 HydrophobicContact CG-CB 3.97Å; R58-V178 HydrophobicContact CG-CG1 3.58Å
59	A	75.8	Confident	87.6	Confident	87 Å²	87	48.5 Å²	48.5	72%	0.719	25%	0.253	S	S	*	.	G	3₁₀ helix	trans	-66.7	-14.4	179.2	0	0	0	0	0	113.7	H57	H57-A59 VanDerWaalsContact C-N 3.33Å; H57-A59 PolarHBondContact O-N 3.19Å
60	L	73.8	Confident	87.7	Confident	100 Å²	100	50.8 Å²	50.8	52%	0.524	27%	0.265	S	S	.	.	G	3₁₀ helix	trans	-99.2	-5.8	178.9	-58.9	177.4	0	0	0	112.4	H57 R58 R84	H57-L60 PolarHBondContact O-N 3.09Å; H57-L60 VanDerWaalsContact O-N 3.09Å; R58-L60 PolarHBondContact O-N 2.92Å; R58-L60 VanDerWaalsContact O-N 3.14Å; L60-R84 VanDerWaalsContact O-CZ 3.23Å; L60-R84 PolarHBondContact O-NH1 3.38Å; L60-R84 PolarHBondContact O-NH2 2.78Å
61	L	79.4	Confident	87.8	Confident	19 Å²	19	52.5 Å²	52.5	10%	0.099	28%	0.276	C	S	.	.			trans	-102.5	102.6	-177.2	-76.8	167.9	0	0	0	109.9	L48 H57 R58 M82 V178 P180 D181	L48-L61 HydrophobicContact CD1-CD1 4.42Å; L48-L61 HydrophobicContact CD1-CD2 3.98Å; H57-L61 PolarHBondContact O-N 3.43Å; R58-L61 PolarHBondContact O-N 3.14Å; R58-L61 VanDerWaalsContact O-N 3.12Å; L61-M82 HydrophobicContact CD2-CE 4.05Å; L61-V178 HydrophobicContact CD1-CB 3.63Å; L61-V178 HydrophobicContact CD1-CG1 4.38Å; L61-V178 HydrophobicContact CD1-CG2 3.14Å; L61-P180 VanDerWaalsContact O-CA 3.27Å; L61-P180 WeakPolarHBondContact O-CA 3.29Å; L61-D181 PolarHBondContact O-N 3.09Å; L61-D181 VanDerWaalsContact O-N 3.16Å
62	N	81.5	Confident	87.9	Confident	41 Å²	41	58.6 Å²	58.6	22%	0.219	31%	0.309	C	S	.	.			trans	-90.1	157.4	167.8	-70.9	-8.5	0	0	0	109.8	F64 M82 T83	N62-F64 PolarHBondContact O-N 3.38Å; N62-M82 HydrophobicContact CB-CG 3.98Å; N62-M82 HydrophobicContact CB-SD 4.33Å; N62-M82 WeakPolarHBondContact O-CE 3.49Å; N62-T83 WeakPolarHBondContact CB-O 3.24Å; N62-T83 PolarHBondContact ND2-O 3Å
63	P	77.5	Confident	88.1	Confident	5 Å²	5	60.8 Å²	60.8	3%	0.032	32%	0.316	C	S	.	.			trans	-57.7	140.6	174.6	-20.3	31.6	0	0	0	109.6	W153 P180 D181 V182 W185	P63-W153 HydrophobicContact CB-CH2 3.58Å; P63-W153 HydrophobicContact CB-CZ3 3.91Å; P63-W153 HydrophobicContact CG-CH2 4.3Å; P63-W153 HydrophobicContact CG-CZ3 4.33Å; P63-P180 HydrophobicContact CB-CB 4.2Å; P63-P180 HydrophobicContact CG-CB 3.9Å; P63-D181 WeakPolarHBondContact CD-O 3.48Å; P63-D181 WeakPolarHBondContact CG-O 3.47Å; P63-V182 HydrophobicContact CG-CG1 3.71Å; P63-W185 HydrophobicContact CB-CD2 4.39Å; P63-W185 HydrophobicContact CB-CE3 4.27Å; P63-W185 HydrophobicContact CG-CB 4.44Å; P63-W185 HydrophobicContact CG-CD2 4.37Å; P63-W185 HydrophobicContact CG-CE3 4.27Å; P63-W185 HydrophobicContact CG-CG 4.45Å
64	F	89.4	Confident	88.3	Confident	16 Å²	16	60.8 Å²	60.8	7%	0.07	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	153.4	-179.8	70.2	-83.7	0	0	0	110.6	V45 L48 N62 N80 A81 M82 W91	V45-F64 HydrophobicContact CB-CD1 4.04Å; V45-F64 HydrophobicContact CB-CD2 4.11Å; V45-F64 HydrophobicContact CB-CE1 3.7Å; V45-F64 HydrophobicContact CB-CE2 3.77Å; V45-F64 HydrophobicContact CB-CG 4.25Å; V45-F64 HydrophobicContact CB-CZ 3.57Å; V45-F64 HydrophobicContact CG1-CE1 3.73Å; V45-F64 HydrophobicContact CG1-CE2 4.13Å; V45-F64 HydrophobicContact CG1-CZ 3.5Å; V45-F64 HydrophobicContact CG2-CD2 3.74Å; V45-F64 HydrophobicContact CG2-CE1 4.27Å; V45-F64 HydrophobicContact CG2-CE2 3.37Å; V45-F64 HydrophobicContact CG2-CG 4.34Å; V45-F64 HydrophobicContact CG2-CZ 3.68Å; V45-F64 PolarHBondContact N-O 3.12Å; L48-F64 HydrophobicContact CD1-CE1 3.94Å; L48-F64 HydrophobicContact CD1-CZ 4.11Å; N62-F64 PolarHBondContact O-N 3.38Å; F64-N80 HydrophobicContact CD2-CB 4.34Å; F64-A81 CarbonylContact C-O 3.6Å; F64-A81 WeakPolarHBondContact CA-O 3.49Å; F64-A81 WeakPolarHBondContact CB-O 3.36Å; F64-M82 HydrophobicContact CB-CB 3.52Å; F64-M82 HydrophobicContact CB-CE 4.03Å; F64-M82 HydrophobicContact CB-CG 3.91Å; F64-M82 HydrophobicContact CD1-CE 3.3Å; F64-M82 HydrophobicContact CE1-CE 3.79Å; F64-M82 HydrophobicContact CG-CB 4.36Å; F64-M82 HydrophobicContact CG-CE 3.79Å; F64-W91 AromaticContact CD2-CH2 3.66Å; F64-W91 HydrophobicContact CD2-CH2 3.66Å; F64-W91 AromaticContact CD2-CZ2 3.78Å; F64-W91 HydrophobicContact CD2-CZ2 3.78Å; F64-W91 AromaticContact CE2-CH2 3.88Å; F64-W91 HydrophobicContact CE2-CH2 3.88Å; F64-W91 AromaticContact CE2-CZ2 3.57Å; F64-W91 HydrophobicContact CE2-CZ2 3.57Å; F64-W91 HydrophobicContact CG-CH2 4.09Å; F64-W91 HydrophobicContact CZ-CH2 4.48Å; F64-W91 HydrophobicContact CZ-CZ2 4.24Å
65	T	93.3	Very high	88.8	Confident	8 Å²	8	59.5 Å²	59.5	5%	0.049	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	153.8	176	56.3	0	0	0	0	110.3	E42 W43 F44 N80 A81	E42-T65 HydrophobicContact CG-CG2 4.1Å; W43-T65 CarbonylContact O-C 3.54Å; W43-T65 VanDerWaalsContact O-CA 3.3Å; W43-T65 WeakPolarHBondContact O-CA 3.17Å; F44-T65 HydrophobicContact CD1-CG2 3.85Å; F44-T65 HydrophobicContact CE1-CG2 3.86Å; T65-N80 WeakPolarHBondContact O-CA 3.44Å; T65-A81 PolarHBondContact N-O 3.47Å; T65-A81 PolarHBondContact O-N 3.07Å; T65-A81 VanDerWaalsContact O-N 3.08Å
66	A	96.3	Very high	89.5	Confident	2 Å²	2	57 Å²	57	2%	0.017	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	112.6	169	0	0	0	0	0	108.2	W43 V45 F68 W79	W43-A66 PolarHBondContact N-O 2.93Å; W43-A66 PolarHBondContact O-N 2.95Å; V45-A66 HydrophobicContact CG2-CB 4.01Å; A66-F68 HydrophobicContact CB-CE2 3.73Å; A66-F68 HydrophobicContact CB-CZ 4.32Å; A66-F68 WeakPolarHBondContact O-CD2 3.48Å; A66-W79 CarbonylContact C-O 3.6Å; A66-W79 WeakPolarHBondContact CA-O 3.46Å
67	T	98.2	Very high	90.1	Very high	31 Å²	31	55.6 Å²	55.6	19%	0.19	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	124.2	178.8	-59.8	0	0	0	0	109.3	E69 V78 W79	T67-E69 HydrophobicContact CG2-CG 4.4Å; T67-V78 VanDerWaalsContact O-CA 3.28Å; T67-V78 WeakPolarHBondContact O-CA 3.36Å; T67-W79 PolarHBondContact N-O 2.71Å; T67-W79 PolarHBondContact O-N 3.17Å
68	F	98.4	Very high	90.8	Very high	2 Å²	2	52.7 Å²	52.7	1%	0.009	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	110.7	-178.7	-64.3	-105.9	0	0	0	108.8	F39 Q40 G41 W43 A66 F76 E77 V78 L95 M132 L149	F39-F68 HydrophobicContact CD1-CD1 4.42Å; F39-F68 AromaticContact CE1-CD1 3.82Å; F39-F68 HydrophobicContact CE1-CD1 3.82Å; F39-F68 HydrophobicContact CE1-CD2 4.4Å; F39-F68 AromaticContact CE1-CE1 3.87Å; F39-F68 HydrophobicContact CE1-CE1 3.87Å; F39-F68 HydrophobicContact CE1-CE2 4.44Å; F39-F68 HydrophobicContact CE1-CG 4.1Å; F39-F68 HydrophobicContact CE1-CZ 4.19Å; Q40-F68 CarbonylContact C-O 3.53Å; Q40-F68 VanDerWaalsContact CA-O 3.26Å; Q40-F68 WeakPolarHBondContact CA-O 3.32Å; Q40-F68 WeakPolarHBondContact CB-O 3.18Å; G41-F68 PolarHBondContact N-O 3.02Å; G41-F68 PolarHBondContact O-N 2.92Å; W43-F68 AromaticContact CD1-CD2 3.57Å; W43-F68 AromaticContact CD1-CE2 3.77Å; W43-F68 HydrophobicContact CG-CE2 4.39Å; A66-F68 HydrophobicContact CB-CE2 3.73Å; A66-F68 HydrophobicContact CB-CZ 4.32Å; A66-F68 WeakPolarHBondContact O-CD2 3.48Å; F68-F76 HydrophobicContact CB-CD1 3.72Å; F68-F76 HydrophobicContact CB-CE1 4.02Å; F68-F76 HydrophobicContact CB-CG 4.41Å; F68-F76 HydrophobicContact CD1-CB 4.45Å; F68-F76 HydrophobicContact CD1-CG 4.42Å; F68-E77 WeakPolarHBondContact CA-O 3.5Å; F68-V78 HydrophobicContact CD1-CG1 4.19Å; F68-V78 HydrophobicContact CD1-CG2 3.63Å; F68-V78 HydrophobicContact CE1-CG1 4.03Å; F68-V78 HydrophobicContact CE1-CG2 3.87Å; F68-V78 HydrophobicContact CE2-CG1 4.45Å; F68-V78 HydrophobicContact CG-CG1 4.46Å; F68-V78 HydrophobicContact CG-CG2 4.37Å; F68-V78 HydrophobicContact CZ-CG1 4.18Å; F68-L95 HydrophobicContact CD1-CD1 4.15Å; F68-L95 HydrophobicContact CE1-CD1 4Å; F68-M132 HydrophobicContact CE1-CE 4.07Å; F68-M132 HydrophobicContact CE1-SD 3.9Å; F68-M132 HydrophobicContact CZ-CE 4.39Å; F68-M132 HydrophobicContact CZ-SD 3.67Å; F68-L149 HydrophobicContact CE2-CD1 4.14Å; F68-L149 HydrophobicContact CZ-CD1 4.11Å
69	E	98.4	Very high	91.7	Very high	106 Å²	106	51.8 Å²	51.8	50%	0.495	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	123.8	173.2	-62.9	178	-178.9	0	0	109.9	T67 F76 E77 W79	T67-E69 HydrophobicContact CG2-CG 4.4Å; E69-F76 CarbonylContact O-C 3.54Å; E69-F76 VanDerWaalsContact O-CA 3.27Å; E69-F76 WeakPolarHBondContact O-CA 3.39Å; E69-E77 PolarHBondContact N-O 2.88Å; E69-E77 PolarHBondContact O-N 3.42Å; E69-W79 HydrophobicContact CB-CH2 4.02Å; E69-W79 HydrophobicContact CB-CZ3 3.57Å; E69-W79 HydrophobicContact CG-CE3 4.31Å; E69-W79 HydrophobicContact CG-CH2 4.03Å; E69-W79 HydrophobicContact CG-CZ3 3.41Å; E69-W79 VanDerWaalsContact CG-CZ3 3.41Å; E69-W79 WeakPolarHBondContact OE2-CH2 3.44Å; E69-W79 WeakPolarHBondContact OE2-CZ3 3.46Å
70	L	98.2	Very high	92.6	Very high	48 Å²	48	48 Å²	48	25%	0.251	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	125.7	-179.5	-175.7	66.7	0	0	0	109.7	N37 Q40 R75 F76	N37-L70 VanDerWaalsContact OD1-CD2 3.27Å; N37-L70 WeakPolarHBondContact OD1-CD2 3.03Å; Q40-L70 HydrophobicContact CB-CB 4.33Å; L70-R75 WeakPolarHBondContact CA-O 3.11Å; L70-R75 WeakPolarHBondContact CD1-O 3.32Å; L70-F76 HydrophobicContact CB-CD1 4.08Å; L70-F76 HydrophobicContact CB-CE1 3.64Å; L70-F76 HydrophobicContact CB-CZ 4.25Å; L70-F76 HydrophobicContact CD1-CD1 4.22Å; L70-F76 HydrophobicContact CD1-CD2 4.34Å; L70-F76 HydrophobicContact CD1-CE1 3.88Å; L70-F76 HydrophobicContact CD1-CE2 3.99Å; L70-F76 HydrophobicContact CD1-CG 4.46Å; L70-F76 HydrophobicContact CD1-CZ 3.76Å; L70-F76 HydrophobicContact CG-CE1 4.3Å; L70-F76 HydrophobicContact CG-CZ 4.47Å
71	S	96.6	Very high	93.5	Very high	35 Å²	35	44.2 Å²	44.2	25%	0.245	23%	0.23	C	C	.	.	P	Polyproline II helix	trans	-89.3	163.2	171.4	57.2	0	0	0	0	112	D73 G74 R75	S71-D73 WeakPolarHBondContact CB-OD1 3.38Å; S71-D73 PolarHBondContact O-N 2.9Å; S71-D73 PolarHBondContact OG-OD1 3.22Å; S71-G74 WeakPolarHBondContact O-CA 3.37Å; S71-G74 PolarHBondContact O-N 3.2Å; S71-R75 PolarHBondContact N-O 2.98Å; S71-R75 WeakPolarHBondContact OG-CA 3.29Å; S71-R75 VanDerWaalsContact OG-CB 3.32Å; S71-R75 WeakPolarHBondContact OG-CB 3.39Å; S71-R75 PolarHBondContact OG-N 3.38Å; S71-R75 VanDerWaalsContact OG-N 3.13Å; S71-R75 PolarHBondContact OG-O 2.77Å
72	D	94	Very high	94	Very high	183 Å²	183	43.7 Å²	43.7	98%	0.979	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.2	-28.3	-179.7	-67.7	-24.9	0	0	0	113.6	G74	D72-G74 PolarHBondContact O-N 2.88Å
73	D	92.8	Very high	94	Very high	106 Å²	106	42.3 Å²	42.3	57%	0.567	22%	0.221	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84.8	8.5	175.9	70.8	-13.3	0	0	0	113.3	S71 R75	S71-D73 WeakPolarHBondContact CB-OD1 3.38Å; S71-D73 PolarHBondContact O-N 2.9Å; S71-D73 PolarHBondContact OG-OD1 3.22Å; D73-R75 VanDerWaalsContact C-N 3.32Å; D73-R75 VanDerWaalsContact CG-CD 3.49Å; D73-R75 PolarHBondContact O-N 3.28Å; D73-R75 WeakPolarHBondContact OD1-CD 3.31Å; D73-R75 VanDerWaalsContact OD1-CG 3.31Å; D73-R75 WeakPolarHBondContact OD1-CG 3.4Å; D73-R75 PolarHBondContact OD1-N 3.05Å; D73-R75 WeakPolarHBondContact OD2-CD 2.96Å
74	G	93.5	Very high	94.2	Very high	29 Å²	29	46.2 Å²	46.2	30%	0.299	24%	0.235	S	C	.	.	S	Bend	trans	81.8	4.5	174.6	0	0	0	0	0	114.6	S71 D72 P97	S71-G74 WeakPolarHBondContact O-CA 3.37Å; S71-G74 PolarHBondContact O-N 3.2Å; D72-G74 PolarHBondContact O-N 2.88Å; G74-P97 VanDerWaalsContact C-CG 3.49Å; G74-P97 WeakPolarHBondContact O-CG 3.24Å
75	R	97.5	Very high	93.7	Very high	81 Å²	81	48 Å²	48	31%	0.306	26%	0.258	S	S	.	.			trans	-76.7	158.4	175.5	-53.7	167.1	78.7	112.8	-7.3	110.5	L70 S71 D73 V94 L95 I96 P97	L70-R75 WeakPolarHBondContact CA-O 3.11Å; L70-R75 WeakPolarHBondContact CD1-O 3.32Å; S71-R75 PolarHBondContact N-O 2.98Å; S71-R75 WeakPolarHBondContact OG-CA 3.29Å; S71-R75 VanDerWaalsContact OG-CB 3.32Å; S71-R75 WeakPolarHBondContact OG-CB 3.39Å; S71-R75 PolarHBondContact OG-N 3.38Å; S71-R75 VanDerWaalsContact OG-N 3.13Å; S71-R75 PolarHBondContact OG-O 2.77Å; D73-R75 VanDerWaalsContact C-N 3.32Å; D73-R75 VanDerWaalsContact CG-CD 3.49Å; D73-R75 PolarHBondContact O-N 3.28Å; D73-R75 WeakPolarHBondContact OD1-CD 3.31Å; D73-R75 VanDerWaalsContact OD1-CG 3.31Å; D73-R75 WeakPolarHBondContact OD1-CG 3.4Å; D73-R75 PolarHBondContact OD1-N 3.05Å; D73-R75 WeakPolarHBondContact OD2-CD 2.96Å; R75-V94 HydrophobicContact CB-CG1 4.16Å; R75-L95 CarbonylContact C-O 3.59Å; R75-L95 WeakPolarHBondContact CA-O 3.4Å; R75-L95 WeakPolarHBondContact CB-O 3.07Å; R75-I96 VanDerWaalsContact NH2-CG1 3.29Å; R75-P97 HydrophobicContact CG-CG 4.46Å
76	F	98.4	Very high	92.9	Very high	1 Å²	1	56.4 Å²	56.4	0%	0.004	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	121.2	169.2	-80.8	-71.4	0	0	0	109.9	F34 F39 Q40 F68 E69 L70 V78 V94 L95 F104	F34-F76 HydrophobicContact CE1-CE2 4.09Å; F34-F76 HydrophobicContact CZ-CE2 4.01Å; F34-F76 HydrophobicContact CZ-CZ 4.38Å; F39-F76 HydrophobicContact CB-CZ 4.4Å; F39-F76 HydrophobicContact CD1-CE2 4.38Å; F39-F76 HydrophobicContact CD1-CZ 4.11Å; Q40-F76 HydrophobicContact CB-CE1 3.88Å; F68-F76 HydrophobicContact CB-CD1 3.72Å; F68-F76 HydrophobicContact CB-CE1 4.02Å; F68-F76 HydrophobicContact CB-CG 4.41Å; F68-F76 HydrophobicContact CD1-CB 4.45Å; F68-F76 HydrophobicContact CD1-CG 4.42Å; E69-F76 CarbonylContact O-C 3.54Å; E69-F76 VanDerWaalsContact O-CA 3.27Å; E69-F76 WeakPolarHBondContact O-CA 3.39Å; L70-F76 HydrophobicContact CB-CD1 4.08Å; L70-F76 HydrophobicContact CB-CE1 3.64Å; L70-F76 HydrophobicContact CB-CZ 4.25Å; L70-F76 HydrophobicContact CD1-CD1 4.22Å; L70-F76 HydrophobicContact CD1-CD2 4.34Å; L70-F76 HydrophobicContact CD1-CE1 3.88Å; L70-F76 HydrophobicContact CD1-CE2 3.99Å; L70-F76 HydrophobicContact CD1-CG 4.46Å; L70-F76 HydrophobicContact CD1-CZ 3.76Å; L70-F76 HydrophobicContact CG-CE1 4.3Å; L70-F76 HydrophobicContact CG-CZ 4.47Å; F76-V78 HydrophobicContact CB-CG2 4.11Å; F76-V94 CarbonylContact O-C 3.53Å; F76-V94 WeakPolarHBondContact O-CA 3.35Å; F76-L95 HydrophobicContact CB-CD1 3.91Å; F76-L95 PolarHBondContact N-O 2.95Å; F76-L95 WeakPolarHBondContact O-CA 3.49Å; F76-L95 PolarHBondContact O-N 3Å; F76-F104 AromaticContact CD2-CE1 3.73Å; F76-F104 HydrophobicContact CD2-CE1 3.73Å; F76-F104 AromaticContact CD2-CZ 3.79Å; F76-F104 HydrophobicContact CD2-CZ 3.79Å; F76-F104 HydrophobicContact CE2-CE1 4.08Å; F76-F104 AromaticContact CE2-CZ 3.76Å; F76-F104 HydrophobicContact CE2-CZ 3.76Å
77	E	97.9	Very high	92.2	Very high	96 Å²	96	62.7 Å²	62.7	45%	0.449	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	125.3	159.1	-66	-173.7	-167.4	0	0	107.4	F68 E69 W79	F68-E77 WeakPolarHBondContact CA-O 3.5Å; E69-E77 PolarHBondContact N-O 2.88Å; E69-E77 PolarHBondContact O-N 3.42Å; E77-W79 HydrophobicContact CB-CE3 4.27Å; E77-W79 HydrophobicContact CB-CH2 3.13Å; E77-W79 HydrophobicContact CB-CZ2 3.71Å; E77-W79 HydrophobicContact CB-CZ3 3.42Å; E77-W79 VanDerWaalsContact CB-CZ3 3.42Å; E77-W79 HydrophobicContact CG-CH2 4.14Å; E77-W79 WeakPolarHBondContact O-CZ3 3.4Å; E77-W79 WeakPolarHBondContact OE2-CH2 3.18Å; E77-W79 WeakPolarHBondContact OE2-CZ2 3.18Å
78	V	97.8	Very high	91.7	Very high	1 Å²	1	64.5 Å²	64.5	1%	0.006	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	119.4	-176.3	-169.2	0	0	0	0	109.1	T67 F68 F76 S92 Y93 L95	T67-V78 VanDerWaalsContact O-CA 3.28Å; T67-V78 WeakPolarHBondContact O-CA 3.36Å; F68-V78 HydrophobicContact CD1-CG1 4.19Å; F68-V78 HydrophobicContact CD1-CG2 3.63Å; F68-V78 HydrophobicContact CE1-CG1 4.03Å; F68-V78 HydrophobicContact CE1-CG2 3.87Å; F68-V78 HydrophobicContact CE2-CG1 4.45Å; F68-V78 HydrophobicContact CG-CG1 4.46Å; F68-V78 HydrophobicContact CG-CG2 4.37Å; F68-V78 HydrophobicContact CZ-CG1 4.18Å; F76-V78 HydrophobicContact CB-CG2 4.11Å; V78-S92 CarbonylContact O-C 3.56Å; V78-S92 WeakPolarHBondContact O-CA 3.37Å; V78-S92 VanDerWaalsContact O-CB 3.26Å; V78-S92 WeakPolarHBondContact O-CB 3.41Å; V78-Y93 HydrophobicContact CB-CD2 4.05Å; V78-Y93 HydrophobicContact CB-CE1 4.32Å; V78-Y93 HydrophobicContact CB-CE2 3.74Å; V78-Y93 HydrophobicContact CB-CG 4.46Å; V78-Y93 HydrophobicContact CG1-CE1 4.13Å; V78-Y93 HydrophobicContact CG1-CE2 3.98Å; V78-Y93 HydrophobicContact CG2-CD2 4.2Å; V78-Y93 HydrophobicContact CG2-CE2 3.81Å; V78-Y93 PolarHBondContact N-O 3.13Å; V78-Y93 PolarHBondContact O-N 2.51Å; V78-L95 HydrophobicContact CG2-CD1 3.66Å; V78-L95 HydrophobicContact CG2-CG 3.95Å
79	W	96.8	Very high	91.2	Very high	91 Å²	91	67.8 Å²	67.8	35%	0.345	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	135.1	172.4	-60.3	-97.4	0	0	0	109.5	A66 T67 E69 E77	A66-W79 CarbonylContact C-O 3.6Å; A66-W79 WeakPolarHBondContact CA-O 3.46Å; T67-W79 PolarHBondContact N-O 2.71Å; T67-W79 PolarHBondContact O-N 3.17Å; E69-W79 HydrophobicContact CB-CH2 4.02Å; E69-W79 HydrophobicContact CB-CZ3 3.57Å; E69-W79 HydrophobicContact CG-CE3 4.31Å; E69-W79 HydrophobicContact CG-CH2 4.03Å; E69-W79 HydrophobicContact CG-CZ3 3.41Å; E69-W79 VanDerWaalsContact CG-CZ3 3.41Å; E69-W79 WeakPolarHBondContact OE2-CH2 3.44Å; E69-W79 WeakPolarHBondContact OE2-CZ3 3.46Å; E77-W79 HydrophobicContact CB-CE3 4.27Å; E77-W79 HydrophobicContact CB-CH2 3.13Å; E77-W79 HydrophobicContact CB-CZ2 3.71Å; E77-W79 HydrophobicContact CB-CZ3 3.42Å; E77-W79 VanDerWaalsContact CB-CZ3 3.42Å; E77-W79 HydrophobicContact CG-CH2 4.14Å; E77-W79 WeakPolarHBondContact O-CZ3 3.4Å; E77-W79 WeakPolarHBondContact OE2-CH2 3.18Å; E77-W79 WeakPolarHBondContact OE2-CZ2 3.18Å
80	N	94.9	Very high	90.9	Very high	7 Å²	7	67.7 Å²	67.7	4%	0.037	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	141.5	177.2	-54.7	-110.1	0	0	0	108.2	F64 T65 T90 W91 Y93	F64-N80 HydrophobicContact CD2-CB 4.34Å; T65-N80 WeakPolarHBondContact O-CA 3.44Å; N80-T90 VanDerWaalsContact O-CA 3.22Å; N80-T90 WeakPolarHBondContact O-CA 3.23Å; N80-W91 HydrophobicContact CB-CD2 3.67Å; N80-W91 HydrophobicContact CB-CE3 4.15Å; N80-W91 HydrophobicContact CB-CG 4.17Å; N80-W91 HydrophobicContact CB-CH2 3.86Å; N80-W91 HydrophobicContact CB-CZ2 3.36Å; N80-W91 HydrophobicContact CB-CZ3 4.23Å; N80-W91 VanDerWaalsContact CG-NE1 3.27Å; N80-W91 PolarHBondContact N-O 2.88Å; N80-W91 PolarHBondContact ND2-NE1 2.85Å; N80-W91 PolarHBondContact ND2-O 3.45Å; N80-W91 PolarHBondContact O-N 3.46Å; N80-W91 VanDerWaalsContact O-N 3.13Å; N80-Y93 WeakPolarHBondContact ND2-CE1 3.49Å
81	A	92.6	Very high	90.7	Very high	20 Å²	20	69.7 Å²	69.7	17%	0.165	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	116.6	178.9	0	0	0	0	0	109.8	F64 T65 T90 C192	F64-A81 CarbonylContact C-O 3.6Å; F64-A81 WeakPolarHBondContact CA-O 3.49Å; F64-A81 WeakPolarHBondContact CB-O 3.36Å; T65-A81 PolarHBondContact N-O 3.47Å; T65-A81 PolarHBondContact O-N 3.07Å; T65-A81 VanDerWaalsContact O-N 3.08Å; A81-T90 HydrophobicContact CB-CG2 4.09Å; A81-C192 HydrophobicContact CB-CB 3.83Å
82	M	89.3	Confident	90.7	Very high	8 Å²	8	72 Å²	72	4%	0.039	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	126.1	178.4	-176.6	-178.8	-71.7	0	0	109.8	L61 N62 F64 R84 D89 W91	L61-M82 HydrophobicContact CD2-CE 4.05Å; N62-M82 HydrophobicContact CB-CG 3.98Å; N62-M82 HydrophobicContact CB-SD 4.33Å; N62-M82 WeakPolarHBondContact O-CE 3.49Å; F64-M82 HydrophobicContact CB-CB 3.52Å; F64-M82 HydrophobicContact CB-CE 4.03Å; F64-M82 HydrophobicContact CB-CG 3.91Å; F64-M82 HydrophobicContact CD1-CE 3.3Å; F64-M82 HydrophobicContact CE1-CE 3.79Å; F64-M82 HydrophobicContact CG-CB 4.36Å; F64-M82 HydrophobicContact CG-CE 3.79Å; M82-R84 PolarHBondContact SD-NH2 3.24Å; M82-R84 VanDerWaalsContact SD-NH2 3.36Å; M82-D89 HydrophobicContact CB-CB 4.39Å; M82-D89 PolarHBondContact N-O 3.39Å; M82-D89 PolarHBondContact O-N 2.9Å; M82-W91 HydrophobicContact CB-CH2 4.07Å; M82-W91 HydrophobicContact CB-CZ3 3.84Å; M82-W91 HydrophobicContact CE-CH2 4.08Å
83	T	83.3	Confident	90.7	Very high	13 Å²	13	65.7 Å²	65.7	8%	0.08	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75	132.7	172.3	-80	0	0	0	0	111	N62 W185 V191 C192	N62-T83 WeakPolarHBondContact CB-O 3.24Å; N62-T83 PolarHBondContact ND2-O 3Å; T83-W185 HydrophobicContact CG2-CZ3 4.39Å; T83-V191 HydrophobicContact CG2-CB 3.59Å; T83-V191 HydrophobicContact CG2-CG1 3.1Å; T83-V191 HydrophobicContact CG2-CG2 4.46Å; T83-V191 WeakPolarHBondContact OG1-CA 3.37Å; T83-V191 WeakPolarHBondContact OG1-CB 3.26Å; T83-V191 VanDerWaalsContact OG1-CG1 3.29Å; T83-V191 WeakPolarHBondContact OG1-CG1 3.33Å; T83-V191 PolarHBondContact OG1-O 3.03Å; T83-C192 PolarHBondContact OG1-SG 3.03Å
84	R	80.3	Confident	90.9	Very high	86 Å²	86	63.1 Å²	63.1	33%	0.325	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	95.6	170.2	-69.4	-164.2	-176.9	-82.8	-7.2	110.8	L60 M82 Q86 H87 D89	L60-R84 VanDerWaalsContact O-CZ 3.23Å; L60-R84 PolarHBondContact O-NH1 3.38Å; L60-R84 PolarHBondContact O-NH2 2.78Å; M82-R84 PolarHBondContact SD-NH2 3.24Å; M82-R84 VanDerWaalsContact SD-NH2 3.36Å; R84-Q86 PolarHBondContact O-N 2.81Å; R84-H87 PolarHBondContact N-O 2.97Å; R84-H87 PolarHBondContact O-N 2.77Å; R84-D89 WeakPolarHBondContact CD-OD2 3.26Å; R84-D89 IonicContact CZ-OD2 3.56Å; R84-D89 IonicContact NE-OD2 2.76Å; R84-D89 PolarHBondContact NE-OD2 3.46Å
85	G	78.3	Confident	91.1	Very high	54 Å²	54	61.8 Å²	61.8	56%	0.557	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.6	-110.1	-174.3	0	0	0	0	0	110.3
86	Q	76.9	Confident	91	Very high	184 Å²	184	59.3 Å²	59.3	86%	0.86	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.2	6.7	179.1	-60.7	-63.1	-51	0	0	114	R84	R84-Q86 PolarHBondContact O-N 2.81Å
87	H	82.6	Confident	90.9	Very high	135 Å²	135	61.9 Å²	61.9	63%	0.625	33%	0.329	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-118.5	155	-175.9	-57.5	80.9	0	0	0	111.7	R84	R84-H87 PolarHBondContact N-O 2.97Å; R84-H87 PolarHBondContact O-N 2.77Å
88	C	86.6	Confident	90.7	Very high	69 Å²	69	59.2 Å²	59.2	47%	0.466	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	113.1	172.6	-72.4	0	0	0	0	110.6	T90 C192	C88-T90 HydrophobicContact CB-CG2 4.5Å; C88-C192 WeakPolarHBondContact CA-SG 3.4Å; C88-C192 HydrophobicContact CB-CB 4.16Å; C88-C192 WeakPolarHBondContact CB-SG 3.04Å; C88-C192 WeakPolarHBondContact SG-CB 3.28Å; C88-C192 CovalentContact SG-SG 2.03Å; C88-C192 PolarHBondContact SG-SG 2.76Å
89	D	89.5	Confident	90.5	Very high	70 Å²	70	64.1 Å²	64.1	37%	0.374	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	120.9	166.9	-76.3	-0.8	0	0	0	108.4	M82 R84	M82-D89 HydrophobicContact CB-CB 4.39Å; M82-D89 PolarHBondContact N-O 3.39Å; M82-D89 PolarHBondContact O-N 2.9Å; R84-D89 WeakPolarHBondContact CD-OD2 3.26Å; R84-D89 IonicContact CZ-OD2 3.56Å; R84-D89 IonicContact NE-OD2 2.76Å; R84-D89 PolarHBondContact NE-OD2 3.46Å
90	T	92	Very high	90.3	Very high	104 Å²	104	64.6 Å²	64.6	64%	0.638	37%	0.37	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-123	144.5	179.5	59.7	0	0	0	0	111.5	N80 A81 C88	N80-T90 VanDerWaalsContact O-CA 3.22Å; N80-T90 WeakPolarHBondContact O-CA 3.23Å; A81-T90 HydrophobicContact CB-CG2 4.09Å; C88-T90 HydrophobicContact CB-CG2 4.5Å
91	W	94.1	Very high	90.3	Very high	91 Å²	91	68.4 Å²	68.4	35%	0.345	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.4	148.1	171.9	65.5	93	0	0	0	110.7	F64 N80 M82	F64-W91 AromaticContact CD2-CH2 3.66Å; F64-W91 HydrophobicContact CD2-CH2 3.66Å; F64-W91 AromaticContact CD2-CZ2 3.78Å; F64-W91 HydrophobicContact CD2-CZ2 3.78Å; F64-W91 AromaticContact CE2-CH2 3.88Å; F64-W91 HydrophobicContact CE2-CH2 3.88Å; F64-W91 AromaticContact CE2-CZ2 3.57Å; F64-W91 HydrophobicContact CE2-CZ2 3.57Å; F64-W91 HydrophobicContact CG-CH2 4.09Å; F64-W91 HydrophobicContact CZ-CH2 4.48Å; F64-W91 HydrophobicContact CZ-CZ2 4.24Å; N80-W91 HydrophobicContact CB-CD2 3.67Å; N80-W91 HydrophobicContact CB-CE3 4.15Å; N80-W91 HydrophobicContact CB-CG 4.17Å; N80-W91 HydrophobicContact CB-CH2 3.86Å; N80-W91 HydrophobicContact CB-CZ2 3.36Å; N80-W91 HydrophobicContact CB-CZ3 4.23Å; N80-W91 VanDerWaalsContact CG-NE1 3.27Å; N80-W91 PolarHBondContact N-O 2.88Å; N80-W91 PolarHBondContact ND2-NE1 2.85Å; N80-W91 PolarHBondContact ND2-O 3.45Å; N80-W91 PolarHBondContact O-N 3.46Å; N80-W91 VanDerWaalsContact O-N 3.13Å; M82-W91 HydrophobicContact CB-CH2 4.07Å; M82-W91 HydrophobicContact CB-CZ3 3.84Å; M82-W91 HydrophobicContact CE-CH2 4.08Å
92	S	94.9	Very high	90.5	Very high	82 Å²	82	67.5 Å²	67.5	57%	0.573	39%	0.388	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-130.3	156.1	179.5	63	0	0	0	0	112.8	V78	V78-S92 CarbonylContact O-C 3.56Å; V78-S92 WeakPolarHBondContact O-CA 3.37Å; V78-S92 VanDerWaalsContact O-CB 3.26Å; V78-S92 WeakPolarHBondContact O-CB 3.41Å
93	Y	95.1	Very high	90.8	Very high	51 Å²	51	68.8 Å²	68.8	20%	0.2	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157	166	174.3	54.7	-90.4	0	0	0	110	V78 N80 L95 V106	V78-Y93 HydrophobicContact CB-CD2 4.05Å; V78-Y93 HydrophobicContact CB-CE1 4.32Å; V78-Y93 HydrophobicContact CB-CE2 3.74Å; V78-Y93 HydrophobicContact CB-CG 4.46Å; V78-Y93 HydrophobicContact CG1-CE1 4.13Å; V78-Y93 HydrophobicContact CG1-CE2 3.98Å; V78-Y93 HydrophobicContact CG2-CD2 4.2Å; V78-Y93 HydrophobicContact CG2-CE2 3.81Å; V78-Y93 PolarHBondContact N-O 3.13Å; V78-Y93 PolarHBondContact O-N 2.51Å; N80-Y93 WeakPolarHBondContact ND2-CE1 3.49Å; Y93-L95 HydrophobicContact CD2-CD2 4.27Å; Y93-L95 HydrophobicContact CD2-CG 4.17Å; Y93-L95 HydrophobicContact CE2-CD2 3.81Å; Y93-L95 HydrophobicContact CE2-CG 3.92Å; Y93-V106 HydrophobicContact CD2-CG1 4.36Å; Y93-V106 HydrophobicContact CD2-CG2 3.9Å; Y93-V106 HydrophobicContact CE2-CG2 4.41Å; Y93-V106 HydrophobicContact CG-CG1 4.47Å
94	V	96.4	Very high	91.5	Very high	52 Å²	52	68.7 Å²	68.7	32%	0.315	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	118.8	-178	-177.1	0	0	0	0	111.3	R75 F76 I96	R75-V94 HydrophobicContact CB-CG1 4.16Å; F76-V94 CarbonylContact O-C 3.53Å; F76-V94 WeakPolarHBondContact O-CA 3.35Å; V94-I96 HydrophobicContact CG1-CG1 4.3Å; V94-I96 PolarHBondContact O-N 2.9Å
95	L	97.5	Very high	92.2	Very high	1 Å²	1	65 Å²	65	1%	0.005	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-54.4	84	158.6	56.5	78.8	0	0	0	115.2	F68 R75 F76 V78 Y93 F104 V106 T119	F68-L95 HydrophobicContact CD1-CD1 4.15Å; F68-L95 HydrophobicContact CE1-CD1 4Å; R75-L95 CarbonylContact C-O 3.59Å; R75-L95 WeakPolarHBondContact CA-O 3.4Å; R75-L95 WeakPolarHBondContact CB-O 3.07Å; F76-L95 HydrophobicContact CB-CD1 3.91Å; F76-L95 PolarHBondContact N-O 2.95Å; F76-L95 WeakPolarHBondContact O-CA 3.49Å; F76-L95 PolarHBondContact O-N 3Å; V78-L95 HydrophobicContact CG2-CD1 3.66Å; V78-L95 HydrophobicContact CG2-CG 3.95Å; Y93-L95 HydrophobicContact CD2-CD2 4.27Å; Y93-L95 HydrophobicContact CD2-CG 4.17Å; Y93-L95 HydrophobicContact CE2-CD2 3.81Å; Y93-L95 HydrophobicContact CE2-CG 3.92Å; L95-F104 HydrophobicContact CB-CB 3.64Å; L95-F104 HydrophobicContact CB-CD1 4.17Å; L95-F104 HydrophobicContact CB-CG 4.02Å; L95-F104 HydrophobicContact CD1-CG 4.47Å; L95-F104 HydrophobicContact CD2-CB 4.3Å; L95-F104 HydrophobicContact CG-CB 4.47Å; L95-V106 HydrophobicContact CB-CG2 4.22Å; L95-V106 HydrophobicContact CD2-CG2 3.66Å; L95-V106 HydrophobicContact CG-CG2 4.27Å; L95-T119 HydrophobicContact CD2-CG2 3.66Å
96	I	96.5	Very high	92.9	Very high	29 Å²	29	62.7 Å²	62.7	15%	0.149	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	123.5	178	-45.3	-176.7	0	0	0	110.8	R75 V94 F104 T105 D107	R75-I96 VanDerWaalsContact NH2-CG1 3.29Å; V94-I96 HydrophobicContact CG1-CG1 4.3Å; V94-I96 PolarHBondContact O-N 2.9Å; I96-F104 CarbonylContact O-C 3.57Å; I96-F104 WeakPolarHBondContact O-CA 3.36Å; I96-F104 WeakPolarHBondContact O-CB 3.4Å; I96-T105 WeakPolarHBondContact CB-O 3.27Å; I96-T105 WeakPolarHBondContact CG1-O 3.42Å; I96-T105 PolarHBondContact N-O 3.36Å; I96-T105 PolarHBondContact O-N 3.47Å; I96-D107 WeakPolarHBondContact CD1-OD2 3.45Å
97	P	96.3	Very high	93.5	Very high	55 Å²	55	57.4 Å²	57.4	36%	0.357	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-57.2	140.1	178.6	-27.9	37.3	0	0	0	113.2	G74 R75 F104	G74-P97 VanDerWaalsContact C-CG 3.49Å; G74-P97 WeakPolarHBondContact O-CG 3.24Å; R75-P97 HydrophobicContact CG-CG 4.46Å; P97-F104 HydrophobicContact CG-CD1 4.5Å; P97-F104 HydrophobicContact CG-CE1 4.45Å
98	A	93.9	Very high	93.4	Very high	40 Å²	40	54 Å²	54	33%	0.331	32%	0.316	S	S	.	.			trans	-108.5	-167.5	172.6	0	0	0	0	0	111.2	Q100 Q103 T105	A98-Q100 VanDerWaalsContact C-N 3.27Å; A98-Q100 PolarHBondContact O-N 2.95Å; A98-Q103 HydrophobicContact CB-CB 3.88Å; A98-Q103 PolarHBondContact N-O 3.28Å; A98-T105 HydrophobicContact CB-CG2 4.49Å
99	A	92.1	Very high	92.7	Very high	104 Å²	104	53.3 Å²	53.3	86%	0.86	32%	0.322	S	S	*	.	S	Bend	trans	-63.9	-24.6	-171.1	0	0	0	0	0	115.1
100	Q	93.7	Very high	91.4	Very high	102 Å²	102	57.5 Å²	57.5	48%	0.477	35%	0.349	S	S	.	.	S	Bend	trans	-119.6	142.5	-179	-62.9	-176.9	3.5	0	0	110.7	P30 A98 G102 Q103	P30-Q100 HydrophobicContact CG-CB 4.25Å; A98-Q100 VanDerWaalsContact C-N 3.27Å; A98-Q100 PolarHBondContact O-N 2.95Å; Q100-G102 PolarHBondContact O-N 3.07Å; Q100-Q103 HydrophobicContact CB-CG 4.07Å; Q100-Q103 WeakPolarHBondContact O-CB 3.41Å; Q100-Q103 PolarHBondContact O-N 3.08Å
101	P	94.4	Very high	89.7	Confident	86 Å²	86	54.7 Å²	54.7	56%	0.558	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.8	134.9	172	-26.8	35	0	0	0	111.7	F34 Q103	F34-P101 HydrophobicContact CB-CB 4.02Å; P101-Q103 PolarHBondContact O-N 3.49Å
102	G	95.9	Very high	87.7	Confident	2 Å²	2	57.3 Å²	57.3	2%	0.021	37%	0.37	C	S	.	.	T	Hydrogen-bonded Turn	trans	78.6	2.8	-177.2	0	0	0	0	0	114.3	F34 Q100 R120 V121	F34-G102 VanDerWaalsContact CG-CA 3.42Å; Q100-G102 PolarHBondContact O-N 3.07Å; G102-R120 CarbonylContact O-C 3.52Å; G102-R120 WeakPolarHBondContact O-CA 3.15Å; G102-V121 PolarHBondContact O-N 3.36Å
103	Q	96.8	Very high	85.9	Confident	35 Å²	35	57 Å²	57	16%	0.164	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	141	164.6	-61.6	-174.2	17.7	0	0	110.7	P30 A98 Q100 P101 R120	P30-Q103 HydrophobicContact CB-CG 3.74Å; P30-Q103 VanDerWaalsContact CD-NE2 3.29Å; P30-Q103 HydrophobicContact CG-CG 3.65Å; A98-Q103 HydrophobicContact CB-CB 3.88Å; A98-Q103 PolarHBondContact N-O 3.28Å; Q100-Q103 HydrophobicContact CB-CG 4.07Å; Q100-Q103 WeakPolarHBondContact O-CB 3.41Å; Q100-Q103 PolarHBondContact O-N 3.08Å; P101-Q103 PolarHBondContact O-N 3.49Å; Q103-R120 HydrophobicContact CG-CB 4.3Å
104	F	96.8	Very high	84.5	Confident	10 Å²	10	56.4 Å²	56.4	4%	0.044	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	171.2	-179	-54.9	-88.8	0	0	0	111.2	F34 F76 L95 I96 P97 T119 V121	F34-F104 HydrophobicContact CD1-CZ 4.41Å; F34-F104 HydrophobicContact CE1-CE2 4.18Å; F34-F104 AromaticContact CE1-CZ 3.69Å; F34-F104 HydrophobicContact CE1-CZ 3.69Å; F34-F104 HydrophobicContact CZ-CE2 4.28Å; F34-F104 HydrophobicContact CZ-CZ 4.1Å; F76-F104 AromaticContact CD2-CE1 3.73Å; F76-F104 HydrophobicContact CD2-CE1 3.73Å; F76-F104 AromaticContact CD2-CZ 3.79Å; F76-F104 HydrophobicContact CD2-CZ 3.79Å; F76-F104 HydrophobicContact CE2-CE1 4.08Å; F76-F104 AromaticContact CE2-CZ 3.76Å; F76-F104 HydrophobicContact CE2-CZ 3.76Å; L95-F104 HydrophobicContact CB-CB 3.64Å; L95-F104 HydrophobicContact CB-CD1 4.17Å; L95-F104 HydrophobicContact CB-CG 4.02Å; L95-F104 HydrophobicContact CD1-CG 4.47Å; L95-F104 HydrophobicContact CD2-CB 4.3Å; L95-F104 HydrophobicContact CG-CB 4.47Å; I96-F104 CarbonylContact O-C 3.57Å; I96-F104 WeakPolarHBondContact O-CA 3.36Å; I96-F104 WeakPolarHBondContact O-CB 3.4Å; P97-F104 HydrophobicContact CG-CD1 4.5Å; P97-F104 HydrophobicContact CG-CE1 4.45Å; F104-T119 PolarHBondContact N-O 3.12Å; F104-T119 PolarHBondContact O-N 3.14Å; F104-V121 HydrophobicContact CE2-CG2 4.36Å
105	T	95.6	Very high	83.7	Confident	9 Å²	9	56 Å²	56	6%	0.055	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	148.5	171.2	56.6	0	0	0	0	111.1	I96 A98 R116 E117	I96-T105 WeakPolarHBondContact CB-O 3.27Å; I96-T105 WeakPolarHBondContact CG1-O 3.42Å; I96-T105 PolarHBondContact N-O 3.36Å; I96-T105 PolarHBondContact O-N 3.47Å; A98-T105 HydrophobicContact CB-CG2 4.49Å; T105-R116 VanDerWaalsContact CB-CZ 3.44Å; T105-R116 HydrophobicContact CG2-CG 4.42Å; T105-R116 PolarHBondContact OG1-NH2 2.81Å; T105-E117 CarbonylContact C-O 3.47Å; T105-E117 WeakPolarHBondContact CA-O 3.23Å
106	V	94.1	Very high	83.2	Confident	5 Å²	5	61.5 Å²	61.5	3%	0.03	40%	0.402	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	130.7	169.9	-174.2	0	0	0	0	108.2	Y93 L95 E117	Y93-V106 HydrophobicContact CD2-CG1 4.36Å; Y93-V106 HydrophobicContact CD2-CG2 3.9Å; Y93-V106 HydrophobicContact CE2-CG2 4.41Å; Y93-V106 HydrophobicContact CG-CG1 4.47Å; L95-V106 HydrophobicContact CB-CG2 4.22Å; L95-V106 HydrophobicContact CD2-CG2 3.66Å; L95-V106 HydrophobicContact CG-CG2 4.27Å; V106-E117 HydrophobicContact CB-CB 4.22Å; V106-E117 PolarHBondContact N-O 2.7Å; V106-E117 PolarHBondContact O-N 2.89Å
107	D	88.2	Confident	83	Confident	73 Å²	73	60.7 Å²	60.7	39%	0.39	40%	0.398	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	119.7	175.1	-65.4	-36.4	0	0	0	109.2	I96 R116	I96-D107 WeakPolarHBondContact CD1-OD2 3.45Å; D107-R116 IonicContact OD1-CZ 3.66Å; D107-R116 IonicContact OD1-NH1 3.7Å; D107-R116 PolarHBondContact OD1-NH1 3.24Å; D107-R116 IonicContact OD2-NH1 3.92Å; D107-R116 PolarHBondContact OD2-NH1 2.83Å
108	H	81.6	Confident	82.9	Confident	63 Å²	63	61.5 Å²	61.5	29%	0.292	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	91.1	178.3	-67.5	-91.6	0	0	0	110.1	D115 E117 R136	H108-D115 HydrophobicContact CB-CB 4.37Å; H108-D115 WeakPolarHBondContact CB-O 3.38Å; H108-D115 PolarHBondContact N-O 3.24Å; H108-E117 IonicContact CD2-OE2 3.27Å; H108-E117 IonicContact CE1-OE2 3.42Å; H108-E117 PolarHBondContact CE1-OE2 3.21Å; H108-E117 IonicContact NE2-OE2 2.74Å; H108-E117 PolarHBondContact NE2-OE2 2.75Å; H108-R136 VanDerWaalsContact CG-CZ 3.47Å; H108-R136 PolarHBondContact ND1-NH1 2.72Å
109	G	71.5	Confident	83.1	Confident	56 Å²	56	60 Å²	60	58%	0.577	38%	0.383	S	S	*	.	S	Bend	trans	109.5	-177.2	180	0	0	0	0	0	113.6
110	V	62.4	Low	83.3	Confident	157 Å²	157	56 Å²	56	95%	0.952	35%	0.346	S	S	*	.	S	Bend	trans	-122.8	125.8	-178.4	-176.1	0	0	0	0	109.9
111	G	55.3	Low	83.5	Confident	46 Å²	46	51.2 Å²	51.2	47%	0.474	32%	0.323	S	S	.	.	S	Bend	trans	118.3	175.9	171.7	0	0	0	0	0	115.4	G113 A114	G111-G113 PolarHBondContact O-N 2.9Å; G111-A114 WeakPolarHBondContact O-CB 3.42Å; G111-A114 PolarHBondContact O-N 2.81Å
112	P	52.5	Low	83.7	Confident	146 Å²	146	47.9 Å²	47.9	95%	0.948	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.2	125.2	179	-18.5	30.7	0	0	0	111.1
113	G	56.4	Low	83.7	Confident	76 Å²	76	49.8 Å²	49.8	78%	0.784	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	91.5	8.4	-178.3	0	0	0	0	0	115.2	G111 D115	G111-G113 PolarHBondContact O-N 2.9Å; G113-D115 PolarHBondContact O-N 2.93Å
114	A	67.4	Low	83.7	Confident	37 Å²	37	48.7 Å²	48.7	31%	0.306	31%	0.307	S	S	.	.	P	Polyproline II helix	trans	-56.7	132.2	167.1	0	0	0	0	0	110.4	G111 R116	G111-A114 WeakPolarHBondContact O-CB 3.42Å; G111-A114 PolarHBondContact O-N 2.81Å; A114-R116 PolarHBondContact O-N 3.48Å
115	D	79.1	Confident	83.7	Confident	43 Å²	43	50.1 Å²	50.1	23%	0.23	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.5	125.1	-179.5	-70.1	-25.8	0	0	0	109.2	H108 G113 R136	H108-D115 HydrophobicContact CB-CB 4.37Å; H108-D115 WeakPolarHBondContact CB-O 3.38Å; H108-D115 PolarHBondContact N-O 3.24Å; G113-D115 PolarHBondContact O-N 2.93Å; D115-R136 HydrophobicContact CB-CG 4.19Å; D115-R136 VanDerWaalsContact CB-NE 3.25Å; D115-R136 IonicContact OD2-CZ 3.75Å; D115-R136 IonicContact OD2-NE 3.11Å; D115-R136 PolarHBondContact OD2-NE 3.45Å; D115-R136 IonicContact OD2-NH2 2.7Å; D115-R136 PolarHBondContact OD2-NH2 3.38Å
116	R	87	Confident	83.8	Confident	117 Å²	117	51 Å²	51	44%	0.442	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	131.3	178.2	-165.3	167.2	175	95.1	-9.5	110.2	T105 D107 A114	T105-R116 VanDerWaalsContact CB-CZ 3.44Å; T105-R116 HydrophobicContact CG2-CG 4.42Å; T105-R116 PolarHBondContact OG1-NH2 2.81Å; D107-R116 IonicContact OD1-CZ 3.66Å; D107-R116 IonicContact OD1-NH1 3.7Å; D107-R116 PolarHBondContact OD1-NH1 3.24Å; D107-R116 IonicContact OD2-NH1 3.92Å; D107-R116 PolarHBondContact OD2-NH1 2.83Å; A114-R116 PolarHBondContact O-N 3.48Å
117	E	92.6	Very high	83.9	Confident	13 Å²	13	55.2 Å²	55.2	6%	0.061	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	116.8	175.1	179.8	172.6	160.7	0	0	109.6	T105 V106 H108 S134 R136 R145	T105-E117 CarbonylContact C-O 3.47Å; T105-E117 WeakPolarHBondContact CA-O 3.23Å; V106-E117 HydrophobicContact CB-CB 4.22Å; V106-E117 PolarHBondContact N-O 2.7Å; V106-E117 PolarHBondContact O-N 2.89Å; H108-E117 IonicContact CD2-OE2 3.27Å; H108-E117 IonicContact CE1-OE2 3.42Å; H108-E117 PolarHBondContact CE1-OE2 3.21Å; H108-E117 IonicContact NE2-OE2 2.74Å; H108-E117 PolarHBondContact NE2-OE2 2.75Å; E117-S134 WeakPolarHBondContact OE1-CB 3.11Å; E117-S134 PolarHBondContact OE1-OG 2.76Å; E117-R136 HydrophobicContact CB-CB 3.84Å; E117-R136 HydrophobicContact CB-CG 4.21Å; E117-R136 HydrophobicContact CG-CB 3.97Å; E117-R145 IonicContact OE1-CZ 3.82Å; E117-R145 IonicContact OE1-NH2 3.38Å; E117-R145 PolarHBondContact OE1-NH2 3.08Å
118	E	94.6	Very high	84.3	Confident	72 Å²	72	56.1 Å²	56.1	34%	0.336	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79	122.9	171	-62.7	177.8	162.4	0	0	108.6	L27 R120 S134 R135	L27-E118 HydrophobicContact CD1-CB 4.5Å; E118-R120 IonicContact OE2-NH2 3.86Å; E118-S134 CarbonylContact O-C 3.36Å; E118-S134 WeakPolarHBondContact O-CA 3.24Å; E118-R135 PolarHBondContact N-O 2.54Å; E118-R135 PolarHBondContact O-N 2.74Å; E118-R135 IonicContact OE2-CZ 2.96Å; E118-R135 IonicContact OE2-NE 3.26Å; E118-R135 IonicContact OE2-NH2 2.76Å; E118-R135 PolarHBondContact OE2-NH2 2.97Å
119	T	96.3	Very high	85.1	Confident	7 Å²	7	53.3 Å²	53.3	4%	0.043	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	145.4	178.4	-60.1	0	0	0	0	110.1	L95 F104 M132 L133 S134	L95-T119 HydrophobicContact CD2-CG2 3.66Å; F104-T119 PolarHBondContact N-O 3.12Å; F104-T119 PolarHBondContact O-N 3.14Å; T119-M132 HydrophobicContact CG2-CE 3.55Å; T119-L133 CarbonylContact C-O 3.56Å; T119-L133 WeakPolarHBondContact CA-O 3.34Å; T119-S134 WeakPolarHBondContact OG1-CB 3.36Å
120	R	97.5	Very high	86.3	Confident	22 Å²	22	50.6 Å²	50.6	8%	0.083	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.8	146.2	174.2	64.7	-165.2	68	-169.7	-4.4	112.4	L27 P28 P30 G102 Q103 E118 V122 M132 L133	L27-R120 PolarHBondContact O-NH1 3.28Å; P28-R120 WeakPolarHBondContact O-CD 3.38Å; P28-R120 PolarHBondContact O-NH1 3.18Å; P30-R120 HydrophobicContact CB-CB 4.36Å; G102-R120 CarbonylContact O-C 3.52Å; G102-R120 WeakPolarHBondContact O-CA 3.15Å; Q103-R120 HydrophobicContact CG-CB 4.3Å; E118-R120 IonicContact OE2-NH2 3.86Å; R120-V122 HydrophobicContact CG-CG2 4.03Å; R120-M132 WeakPolarHBondContact O-CA 3.46Å; R120-L133 HydrophobicContact CG-CB 4.33Å; R120-L133 PolarHBondContact N-O 2.74Å; R120-L133 PolarHBondContact O-N 2.72Å
121	V	98.1	Very high	88	Confident	0 Å²	0	43.3 Å²	43.3	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	113.9	165.8	-170.1	0	0	0	0	107.1	P30 M31 F34 F39 G102 F104 M132	P30-V121 CarbonylContact C-O 3.56Å; P30-V121 WeakPolarHBondContact CA-O 3.3Å; M31-V121 HydrophobicContact CG-CB 4.28Å; M31-V121 HydrophobicContact CG-CG1 4.23Å; M31-V121 PolarHBondContact N-O 2.85Å; M31-V121 HydrophobicContact SD-CB 4.02Å; M31-V121 HydrophobicContact SD-CG1 3.38Å; M31-V121 WeakPolarHBondContact SD-CG1 3.38Å; F34-V121 HydrophobicContact CD2-CB 4.12Å; F34-V121 HydrophobicContact CD2-CG1 4.42Å; F34-V121 HydrophobicContact CD2-CG2 4.18Å; F34-V121 HydrophobicContact CE2-CB 4.06Å; F34-V121 HydrophobicContact CE2-CG1 4.3Å; F34-V121 HydrophobicContact CE2-CG2 3.65Å; F34-V121 HydrophobicContact CZ-CG2 4.25Å; F39-V121 HydrophobicContact CD2-CG1 4.46Å; F39-V121 HydrophobicContact CE1-CG2 4.29Å; F39-V121 HydrophobicContact CE2-CG1 3.9Å; F39-V121 HydrophobicContact CE2-CG2 4.09Å; F39-V121 HydrophobicContact CZ-CG1 4.44Å; F39-V121 HydrophobicContact CZ-CG2 3.92Å; G102-V121 PolarHBondContact O-N 3.36Å; F104-V121 HydrophobicContact CE2-CG2 4.36Å; V121-M132 HydrophobicContact CG2-CE 4.28Å; V121-M132 HydrophobicContact CG2-CG 4.21Å
122	V	97.4	Very high	90.1	Very high	16 Å²	16	41.7 Å²	41.7	10%	0.097	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	-39.8	-176	179.6	0	0	0	0	110.6	W8 P28 R120 L131 L133 L166	W8-V122 HydrophobicContact CH2-CG1 3.86Å; W8-V122 HydrophobicContact CZ2-CG1 4.36Å; P28-V122 HydrophobicContact CB-CG1 4.44Å; P28-V122 HydrophobicContact CG-CG1 4.11Å; P28-V122 HydrophobicContact CG-CG2 3.92Å; R120-V122 HydrophobicContact CG-CG2 4.03Å; V122-L131 HydrophobicContact CB-CB 4.44Å; V122-L131 PolarHBondContact N-O 2.77Å; V122-L133 HydrophobicContact CG2-CB 3.73Å; V122-L166 HydrophobicContact CB-CD2 4.28Å; V122-L166 HydrophobicContact CG1-CD1 4.33Å; V122-L166 HydrophobicContact CG1-CD2 4.17Å; V122-L166 HydrophobicContact CG2-CD2 4.23Å
123	N	96.9	Very high	92.2	Very high	42 Å²	42	34.8 Å²	34.8	23%	0.225	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157	144	178.2	-163.7	13.4	0	0	0	110.1	F129 A130 L131 Q162	N123-F129 HydrophobicContact CB-CE2 4.44Å; N123-A130 CarbonylContact O-C 3.43Å; N123-A130 VanDerWaalsContact O-CA 3.32Å; N123-A130 WeakPolarHBondContact O-CA 3.44Å; N123-L131 PolarHBondContact N-O 3.01Å; N123-L131 PolarHBondContact O-N 2.96Å; N123-Q162 PolarHBondContact ND2-OE1 3.02Å
124	S	97.2	Very high	94.1	Very high	12 Å²	12	31.4 Å²	31.4	8%	0.084	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-164.3	149.7	172.1	-174.8	0	0	0	0	109.5	Y126 F129 A130	S124-Y126 WeakPolarHBondContact OG-CA 3.49Å; S124-Y126 PolarHBondContact OG-N 2.86Å; S124-F129 WeakPolarHBondContact CA-O 3.14Å; S124-F129 WeakPolarHBondContact CB-O 3.29Å; S124-F129 PolarHBondContact OG-O 2.89Å; S124-A130 WeakPolarHBondContact OG-CB 2.98Å
125	D	96	Very high	95.3	Very high	40 Å²	40	31.6 Å²	31.6	21%	0.214	15%	0.153	C	C	.	.			trans	-103.6	10.8	164	61.6	15.1	0	0	0	112.5	T127 Q128 F129	D125-T127 PolarHBondContact O-N 2.92Å; D125-T127 PolarHBondContact O-OG1 3.11Å; D125-T127 VanDerWaalsContact O-OG1 3.14Å; D125-T127 PolarHBondContact OD1-N 2.99Å; D125-Q128 WeakPolarHBondContact OD1-CA 3.47Å; D125-Q128 PolarHBondContact OD1-N 2.84Å; D125-F129 HydrophobicContact CB-CE1 4.17Å; D125-F129 PolarHBondContact N-O 2.87Å; D125-F129 PolarHBondContact OD1-N 2.84Å; D125-F129 WeakPolarHBondContact OD2-CD1 3.35Å; D125-F129 VanDerWaalsContact OD2-CE1 3.26Å; D125-F129 WeakPolarHBondContact OD2-CE1 3.39Å
126	Y	97.6	Very high	95.8	Very high	29 Å²	29	32.2 Å²	32.2	11%	0.114	15%	0.152	C	C	.	.	S	Bend	trans	63.5	-24.5	-178.9	-49.1	-75.4	0	0	0	116.1	M31 S33 F34 Q35 Q38 F39 W43 S124 R151	M31-Y126 HydrophobicContact CE-CE1 3.56Å; M31-Y126 HydrophobicContact CE-CE2 4.12Å; M31-Y126 WeakPolarHBondContact CE-OH 3.33Å; S33-Y126 PolarHBondContact O-OH 2.88Å; F34-Y126 HydrophobicContact CD2-CE1 4.44Å; Q35-Y126 HydrophobicContact CB-CE1 4.29Å; Q35-Y126 PolarHBondContact N-OH 2.78Å; Q38-Y126 HydrophobicContact CB-CD1 3.63Å; Q38-Y126 HydrophobicContact CB-CD2 4.14Å; Q38-Y126 HydrophobicContact CB-CE1 4.15Å; Q38-Y126 HydrophobicContact CB-CG 3.6Å; F39-Y126 HydrophobicContact CB-CD1 4.15Å; F39-Y126 HydrophobicContact CB-CE1 4.41Å; F39-Y126 HydrophobicContact CD2-CD1 4.39Å; W43-Y126 VanDerWaalsContact CH2-O 3.28Å; W43-Y126 WeakPolarHBondContact CH2-O 3.26Å; W43-Y126 WeakPolarHBondContact CZ2-O 3.39Å; S124-Y126 WeakPolarHBondContact OG-CA 3.49Å; S124-Y126 PolarHBondContact OG-N 2.86Å; Y126-R151 PolarHBondContact O-NE 2.92Å; Y126-R151 VanDerWaalsContact O-NE 3.11Å; Y126-R151 PolarHBondContact O-NH2 2.71Å
127	T	96.4	Very high	95.6	Very high	93 Å²	93	30.7 Å²	30.7	57%	0.571	15%	0.15	S	C	*	.	S	Bend	trans	-111.2	-22.2	-165.4	54.8	0	0	0	0	113.4	D125 R151	D125-T127 PolarHBondContact O-N 2.92Å; D125-T127 PolarHBondContact O-OG1 3.11Å; D125-T127 VanDerWaalsContact O-OG1 3.14Å; D125-T127 PolarHBondContact OD1-N 2.99Å; T127-R151 WeakPolarHBondContact O-CB 3.48Å; T127-R151 VanDerWaalsContact O-CG 3.23Å; T127-R151 WeakPolarHBondContact O-CG 3.34Å
128	Q	96.5	Very high	94.6	Very high	91 Å²	91	31.7 Å²	31.7	43%	0.425	16%	0.157	S	C	.	.	S	Bend	trans	-128.4	-43.2	-178.4	-49.7	-164.3	-81.4	0	0	112.5	D125 S150 R151 P156	D125-Q128 WeakPolarHBondContact OD1-CA 3.47Å; D125-Q128 PolarHBondContact OD1-N 2.84Å; Q128-S150 VanDerWaalsContact O-CA 3.26Å; Q128-S150 WeakPolarHBondContact O-CA 3.23Å; Q128-S150 PolarHBondContact O-OG 3.46Å; Q128-R151 PolarHBondContact O-N 2.87Å; Q128-R151 VanDerWaalsContact O-N 3.08Å; Q128-P156 HydrophobicContact CB-CG 3.47Å; Q128-P156 VanDerWaalsContact CB-CG 3.47Å; Q128-P156 HydrophobicContact CG-CG 4.21Å
129	F	97.4	Very high	93.5	Very high	4 Å²	4	33.9 Å²	33.9	2%	0.018	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.1	162.3	-177.2	81.5	-79.1	0	0	0	114.1	W43 N123 S124 D125 L131 L149 P156 T159	W43-F129 VanDerWaalsContact CZ3-C 3.49Å; N123-F129 HydrophobicContact CB-CE2 4.44Å; S124-F129 WeakPolarHBondContact CA-O 3.14Å; S124-F129 WeakPolarHBondContact CB-O 3.29Å; S124-F129 PolarHBondContact OG-O 2.89Å; D125-F129 HydrophobicContact CB-CE1 4.17Å; D125-F129 PolarHBondContact N-O 2.87Å; D125-F129 PolarHBondContact OD1-N 2.84Å; D125-F129 WeakPolarHBondContact OD2-CD1 3.35Å; D125-F129 VanDerWaalsContact OD2-CE1 3.26Å; D125-F129 WeakPolarHBondContact OD2-CE1 3.39Å; F129-L131 HydrophobicContact CD2-CG 4.47Å; F129-L131 HydrophobicContact CE2-CG 4.44Å; F129-L149 CarbonylContact C-O 3.5Å; F129-L149 VanDerWaalsContact CA-O 3.24Å; F129-L149 WeakPolarHBondContact CA-O 3.48Å; F129-P156 HydrophobicContact CD1-CG 4.15Å; F129-T159 HydrophobicContact CB-CG2 3.87Å; F129-T159 HydrophobicContact CD1-CG2 4.46Å; F129-T159 HydrophobicContact CD2-CG2 3.57Å; F129-T159 HydrophobicContact CE2-CG2 4.25Å; F129-T159 HydrophobicContact CG-CG2 3.7Å
130	A	98.2	Very high	92.1	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.2	150.8	162.5	0	0	0	0	0	111.7	F39 W43 N123 S124 L149	F39-A130 HydrophobicContact CE2-CB 3.65Å; F39-A130 HydrophobicContact CZ-CB 4.29Å; W43-A130 HydrophobicContact CH2-CB 4.18Å; W43-A130 HydrophobicContact CZ2-CB 4.49Å; W43-A130 HydrophobicContact CZ3-CB 4.26Å; N123-A130 CarbonylContact O-C 3.43Å; N123-A130 VanDerWaalsContact O-CA 3.32Å; N123-A130 WeakPolarHBondContact O-CA 3.44Å; S124-A130 WeakPolarHBondContact OG-CB 2.98Å; A130-L149 HydrophobicContact CB-CB 4.05Å; A130-L149 HydrophobicContact CB-CD1 4.23Å; A130-L149 PolarHBondContact N-O 3.11Å; A130-L149 PolarHBondContact O-N 2.86Å
131	L	98.3	Very high	91.1	Very high	4 Å²	4	46 Å²	46	2%	0.021	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	115.2	168.6	-65	179.2	0	0	0	107.8	V122 N123 F129 S147 L148 Q162 F163 L166	V122-L131 HydrophobicContact CB-CB 4.44Å; V122-L131 PolarHBondContact N-O 2.77Å; N123-L131 PolarHBondContact N-O 3.01Å; N123-L131 PolarHBondContact O-N 2.96Å; F129-L131 HydrophobicContact CD2-CG 4.47Å; F129-L131 HydrophobicContact CE2-CG 4.44Å; L131-S147 WeakPolarHBondContact CA-O 3.3Å; L131-L148 HydrophobicContact CD2-CB 4.32Å; L131-L148 HydrophobicContact CD2-CD1 3.68Å; L131-Q162 HydrophobicContact CD1-CB 3.91Å; L131-F163 HydrophobicContact CD2-CB 3.94Å; L131-F163 HydrophobicContact CD2-CD2 4.03Å; L131-F163 HydrophobicContact CD2-CG 4.44Å; L131-L166 HydrophobicContact CB-CD2 4.2Å; L131-L166 HydrophobicContact CD1-CD2 4.27Å
132	M	97.8	Very high	90.4	Very high	11 Å²	11	47.4 Å²	47.4	5%	0.054	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	144.8	172.6	-68.1	-172.7	71.8	0	0	109.7	F39 F68 T119 R120 V121 I146 S147 L149	F39-M132 HydrophobicContact CE1-SD 4.22Å; F39-M132 HydrophobicContact CZ-CG 4.3Å; F39-M132 HydrophobicContact CZ-SD 3.77Å; F68-M132 HydrophobicContact CE1-CE 4.07Å; F68-M132 HydrophobicContact CE1-SD 3.9Å; F68-M132 HydrophobicContact CZ-CE 4.39Å; F68-M132 HydrophobicContact CZ-SD 3.67Å; T119-M132 HydrophobicContact CG2-CE 3.55Å; R120-M132 WeakPolarHBondContact O-CA 3.46Å; V121-M132 HydrophobicContact CG2-CE 4.28Å; V121-M132 HydrophobicContact CG2-CG 4.21Å; M132-I146 CarbonylContact O-C 3.5Å; M132-I146 VanDerWaalsContact O-CA 3.23Å; M132-I146 WeakPolarHBondContact O-CA 3.21Å; M132-I146 WeakPolarHBondContact O-CG2 3.42Å; M132-S147 PolarHBondContact N-O 3.26Å; M132-S147 PolarHBondContact O-N 3.33Å; M132-L149 HydrophobicContact CG-CD1 3.97Å; M132-L149 HydrophobicContact SD-CD1 3.6Å; M132-L149 VanDerWaalsContact SD-CD1 3.6Å
133	L	97.3	Very high	90.1	Very high	1 Å²	1	49.2 Å²	49.2	1%	0.005	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	135.3	173	-178.1	157.1	0	0	0	108.5	L27 P28 T119 R120 V122 L144 R145 I146 L166 Q170	L27-L133 HydrophobicContact CB-CD2 4.44Å; L27-L133 HydrophobicContact CD1-CD2 3.87Å; L27-L133 HydrophobicContact CD2-CD1 4.28Å; L27-L133 HydrophobicContact CD2-CD2 3.34Å; L27-L133 HydrophobicContact CD2-CG 4.46Å; L27-L133 HydrophobicContact CG-CD2 4.04Å; P28-L133 HydrophobicContact CG-CD1 4.09Å; T119-L133 CarbonylContact C-O 3.56Å; T119-L133 WeakPolarHBondContact CA-O 3.34Å; R120-L133 HydrophobicContact CG-CB 4.33Å; R120-L133 PolarHBondContact N-O 2.74Å; R120-L133 PolarHBondContact O-N 2.72Å; V122-L133 HydrophobicContact CG2-CB 3.73Å; L133-L144 HydrophobicContact CD1-CD1 4.26Å; L133-L144 HydrophobicContact CD2-CD1 3.95Å; L133-L144 HydrophobicContact CG-CD1 4.09Å; L133-R145 CarbonylContact C-O 3.53Å; L133-R145 WeakPolarHBondContact CA-O 3.18Å; L133-I146 HydrophobicContact CB-CG1 4.35Å; L133-I146 HydrophobicContact CD1-CD1 4.39Å; L133-I146 HydrophobicContact CD1-CG1 3.99Å; L133-I146 HydrophobicContact CG-CG1 4.01Å; L133-L166 HydrophobicContact CD1-CD1 4.27Å; L133-Q170 HydrophobicContact CD1-CG 3.73Å
134	S	95.4	Very high	89.9	Confident	6 Å²	6	48 Å²	48	4%	0.042	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	147.9	170.8	77	0	0	0	0	112.9	E117 E118 T119 L144 R145	E117-S134 WeakPolarHBondContact OE1-CB 3.11Å; E117-S134 PolarHBondContact OE1-OG 2.76Å; E118-S134 CarbonylContact O-C 3.36Å; E118-S134 WeakPolarHBondContact O-CA 3.24Å; T119-S134 WeakPolarHBondContact OG1-CB 3.36Å; S134-L144 WeakPolarHBondContact O-CA 3.28Å; S134-R145 PolarHBondContact N-O 3.43Å; S134-R145 PolarHBondContact O-N 2.67Å; S134-R145 PolarHBondContact OG-NE 2.88Å
135	R	93.4	Very high	89.8	Confident	40 Å²	40	50.7 Å²	50.7	15%	0.151	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	115.7	176.6	-175.3	178.3	58.3	177.2	1.6	109.7	L27 E118 H137 A142 I143 L144	L27-R135 HydrophobicContact CD1-CB 3.82Å; L27-R135 HydrophobicContact CD2-CB 4.18Å; L27-R135 HydrophobicContact CG-CB 4.5Å; L27-R135 VanDerWaalsContact CG-CZ 3.47Å; E118-R135 PolarHBondContact N-O 2.54Å; E118-R135 PolarHBondContact O-N 2.74Å; E118-R135 IonicContact OE2-CZ 2.96Å; E118-R135 IonicContact OE2-NE 3.26Å; E118-R135 IonicContact OE2-NH2 2.76Å; E118-R135 PolarHBondContact OE2-NH2 2.97Å; R135-H137 PolarHBondContact NE-NE2 3.48Å; R135-A142 HydrophobicContact CG-CB 4.44Å; R135-I143 CarbonylContact C-O 3.47Å; R135-I143 VanDerWaalsContact CA-O 3.26Å; R135-I143 WeakPolarHBondContact CA-O 3.26Å; R135-L144 HydrophobicContact CB-CD1 4.42Å
136	R	90.3	Very high	89.9	Confident	57 Å²	57	48.8 Å²	48.8	22%	0.215	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	123.5	174.4	-178.9	178.3	169.2	171.4	-1.8	109.7	H108 D115 E117 T138 A142 I143	H108-R136 VanDerWaalsContact CG-CZ 3.47Å; H108-R136 PolarHBondContact ND1-NH1 2.72Å; D115-R136 HydrophobicContact CB-CG 4.19Å; D115-R136 VanDerWaalsContact CB-NE 3.25Å; D115-R136 IonicContact OD2-CZ 3.75Å; D115-R136 IonicContact OD2-NE 3.11Å; D115-R136 PolarHBondContact OD2-NE 3.45Å; D115-R136 IonicContact OD2-NH2 2.7Å; D115-R136 PolarHBondContact OD2-NH2 3.38Å; E117-R136 HydrophobicContact CB-CB 3.84Å; E117-R136 HydrophobicContact CB-CG 4.21Å; E117-R136 HydrophobicContact CG-CB 3.97Å; R136-T138 HydrophobicContact CG-CG2 4.26Å; R136-A142 CarbonylContact O-C 3.58Å; R136-A142 WeakPolarHBondContact O-CA 3.19Å; R136-I143 HydrophobicContact CB-CB 4.33Å; R136-I143 PolarHBondContact N-O 2.77Å; R136-I143 PolarHBondContact O-N 2.99Å
137	H	81.4	Confident	89.9	Confident	85 Å²	85	48.3 Å²	48.3	39%	0.394	25%	0.25	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	117.8	169.7	-71.1	-86.2	0	0	0	108.5	R135	R135-H137 PolarHBondContact NE-NE2 3.48Å
138	T	73.4	Confident	89.9	Confident	33 Å²	33	43.9 Å²	43.9	20%	0.202	22%	0.222	C	C	.	.	P	Polyproline II helix	trans	-102.6	167.9	167.7	73	0	0	0	0	108.9	R136 K140 L141 I143	R136-T138 HydrophobicContact CG-CG2 4.26Å; T138-K140 PolarHBondContact O-N 3.02Å; T138-K140 PolarHBondContact OG1-N 3.29Å; T138-L141 WeakPolarHBondContact CB-O 3.09Å; T138-L141 PolarHBondContact N-O 2.85Å; T138-L141 PolarHBondContact OG1-N 2.99Å; T138-L141 PolarHBondContact OG1-O 2.89Å; T138-I143 HydrophobicContact CG2-CD1 3.88Å; T138-I143 HydrophobicContact CG2-CG1 4.36Å
139	S	69.4	Low	89.9	Confident	118 Å²	118	39.7 Å²	39.7	83%	0.825	20%	0.203	S	C	*	.	S	Bend	trans	-56.3	-21.6	176.3	56.1	0	0	0	0	114.7
140	K	67.9	Low	89.8	Confident	189 Å²	189	39.5 Å²	39.5	82%	0.822	20%	0.202	S	C	*	.	S	Bend	trans	-113.6	-33.1	-174.5	-63.4	-178.8	-177.2	178.5	0	113.8	T138	T138-K140 PolarHBondContact O-N 3.02Å; T138-K140 PolarHBondContact OG1-N 3.29Å
141	L	76.3	Confident	89.6	Confident	95 Å²	95	42 Å²	42	50%	0.497	21%	0.211	S	C	.	.			trans	-156.2	155.4	-174.9	64.7	113.9	0	0	0	113.1	T138 I143	T138-L141 WeakPolarHBondContact CB-O 3.09Å; T138-L141 PolarHBondContact N-O 2.85Å; T138-L141 PolarHBondContact OG1-N 2.99Å; T138-L141 PolarHBondContact OG1-O 2.89Å; L141-I143 HydrophobicContact CD1-CD1 4.46Å; L141-I143 HydrophobicContact CD1-CG1 3.49Å; L141-I143 VanDerWaalsContact CD1-CG1 3.49Å; L141-I143 HydrophobicContact CG-CG1 4.48Å
142	A	84.4	Confident	89.2	Confident	30 Å²	30	46.2 Å²	46.2	25%	0.248	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	119.3	167.5	0	0	0	0	0	109.4	N51 R135 R136	N51-A142 PolarHBondContact ND2-O 3.27Å; R135-A142 HydrophobicContact CG-CB 4.44Å; R136-A142 CarbonylContact O-C 3.58Å; R136-A142 WeakPolarHBondContact O-CA 3.19Å
143	I	89.6	Confident	88.4	Confident	54 Å²	54	49.6 Å²	49.6	28%	0.277	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	120.5	173.6	-59.1	170.6	0	0	0	107.5	R135 R136 T138 L141	R135-I143 CarbonylContact C-O 3.47Å; R135-I143 VanDerWaalsContact CA-O 3.26Å; R135-I143 WeakPolarHBondContact CA-O 3.26Å; R136-I143 HydrophobicContact CB-CB 4.33Å; R136-I143 PolarHBondContact N-O 2.77Å; R136-I143 PolarHBondContact O-N 2.99Å; T138-I143 HydrophobicContact CG2-CD1 3.88Å; T138-I143 HydrophobicContact CG2-CG1 4.36Å; L141-I143 HydrophobicContact CD1-CD1 4.46Å; L141-I143 HydrophobicContact CD1-CG1 3.49Å; L141-I143 VanDerWaalsContact CD1-CG1 3.49Å; L141-I143 HydrophobicContact CG-CG1 4.48Å
144	L	93.8	Very high	87.9	Confident	15 Å²	15	56.7 Å²	56.7	8%	0.079	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	134.5	177	179.6	76	0	0	0	109.1	L27 G50 N51 L133 S134 R135 Q170 L172	L27-L144 HydrophobicContact CD2-CD1 4.1Å; G50-L144 CarbonylContact C-O 3.5Å; G50-L144 WeakPolarHBondContact CA-O 3.48Å; N51-L144 PolarHBondContact N-O 2.96Å; N51-L144 PolarHBondContact OD1-N 2.79Å; L133-L144 HydrophobicContact CD1-CD1 4.26Å; L133-L144 HydrophobicContact CD2-CD1 3.95Å; L133-L144 HydrophobicContact CG-CD1 4.09Å; S134-L144 WeakPolarHBondContact O-CA 3.28Å; R135-L144 HydrophobicContact CB-CD1 4.42Å; L144-Q170 HydrophobicContact CD2-CB 3.52Å; L144-Q170 HydrophobicContact CD2-CG 4.36Å; L144-L172 HydrophobicContact CD2-CD1 3.91Å; L144-L172 HydrophobicContact CD2-CD2 4.08Å; L144-L172 HydrophobicContact CD2-CG 3.95Å
145	R	95.4	Very high	87.6	Confident	70 Å²	70	58.6 Å²	58.6	26%	0.264	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	139.5	172.7	178.1	175.6	59.7	178.1	-2.6	110.5	L48 A49 F53 E117 L133 S134	L48-R145 HydrophobicContact CD2-CG 4.49Å; A49-R145 CarbonylContact O-C 3.5Å; A49-R145 VanDerWaalsContact O-CA 3.3Å; A49-R145 WeakPolarHBondContact O-CA 3.18Å; F53-R145 HydrophobicContact CE2-CG 4.43Å; E117-R145 IonicContact OE1-CZ 3.82Å; E117-R145 IonicContact OE1-NH2 3.38Å; E117-R145 PolarHBondContact OE1-NH2 3.08Å; L133-R145 CarbonylContact C-O 3.53Å; L133-R145 WeakPolarHBondContact CA-O 3.18Å; S134-R145 PolarHBondContact N-O 3.43Å; S134-R145 PolarHBondContact O-N 2.67Å; S134-R145 PolarHBondContact OG-NE 2.88Å
146	I	97.4	Very high	87.6	Confident	0 Å²	0	57.6 Å²	57.6	0%	0	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	129.7	170.7	-57.8	160.6	0	0	0	106.7	L48 A49 M132 L133 F163 L166 Q170 L172	L48-I146 CarbonylContact C-O 3.47Å; L48-I146 WeakPolarHBondContact CA-O 3.09Å; A49-I146 HydrophobicContact CB-CB 4.28Å; A49-I146 PolarHBondContact N-O 3.24Å; A49-I146 PolarHBondContact O-N 2.72Å; M132-I146 CarbonylContact O-C 3.5Å; M132-I146 VanDerWaalsContact O-CA 3.23Å; M132-I146 WeakPolarHBondContact O-CA 3.21Å; M132-I146 WeakPolarHBondContact O-CG2 3.42Å; L133-I146 HydrophobicContact CB-CG1 4.35Å; L133-I146 HydrophobicContact CD1-CD1 4.39Å; L133-I146 HydrophobicContact CD1-CG1 3.99Å; L133-I146 HydrophobicContact CG-CG1 4.01Å; I146-F163 HydrophobicContact CB-CE2 4.22Å; I146-F163 HydrophobicContact CG2-CD2 3.87Å; I146-F163 HydrophobicContact CG2-CE2 3.73Å; I146-L166 HydrophobicContact CD1-CG 4.01Å; I146-L166 HydrophobicContact CG2-CD2 3.67Å; I146-L166 HydrophobicContact CG2-CG 4.21Å; I146-Q170 HydrophobicContact CD1-CB 4.4Å; I146-Q170 HydrophobicContact CD1-CG 4.27Å; I146-L172 HydrophobicContact CD1-CD1 3.91Å
147	S	96.9	Very high	87.8	Confident	19 Å²	19	61 Å²	61	13%	0.133	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	129.5	179.1	-54.7	0	0	0	0	110.1	L48 L131 M132	L48-S147 WeakPolarHBondContact CD2-OG 3.48Å; L131-S147 WeakPolarHBondContact CA-O 3.3Å; M132-S147 PolarHBondContact N-O 3.26Å; M132-S147 PolarHBondContact O-N 3.33Å
148	L	97.2	Very high	88.3	Confident	0 Å²	0	58.5 Å²	58.5	0%	0	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	109.9	168.1	172.6	58.3	0	0	0	108.8	L46 G47 L131 L155 T159 L160 F163	L46-L148 PolarHBondContact N-O 3.32Å; G47-L148 PolarHBondContact N-O 3.4Å; G47-L148 PolarHBondContact O-N 3.04Å; L131-L148 HydrophobicContact CD2-CB 4.32Å; L131-L148 HydrophobicContact CD2-CD1 3.68Å; L148-L155 HydrophobicContact CD1-CD2 4Å; L148-L155 HydrophobicContact CD2-CD1 3.65Å; L148-L155 HydrophobicContact CD2-CD2 4.41Å; L148-L155 HydrophobicContact CG-CD1 4.39Å; L148-L155 HydrophobicContact CG-CD2 4.3Å; L148-T159 HydrophobicContact CD1-CG2 3.6Å; L148-L160 HydrophobicContact CD2-CD2 3.68Å; L148-F163 HydrophobicContact CB-CD2 3.81Å; L148-F163 HydrophobicContact CB-CE2 4.01Å; L148-F163 HydrophobicContact CB-CG 4.07Å; L148-F163 HydrophobicContact CB-CZ 4.44Å; L148-F163 HydrophobicContact CD2-CB 4.24Å; L148-F163 HydrophobicContact CD2-CD1 4.2Å; L148-F163 HydrophobicContact CD2-CG 4.15Å
149	L	96.8	Very high	89.4	Confident	3 Å²	3	57 Å²	57	2%	0.016	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	145.9	-179.8	-55.3	-175.8	0	0	0	110.3	F39 W43 F44 V45 F68 F129 A130 M132	F39-L149 HydrophobicContact CZ-CD1 4.23Å; W43-L149 HydrophobicContact CB-CB 4.1Å; W43-L149 HydrophobicContact CB-CD1 4.33Å; W43-L149 HydrophobicContact CB-CD2 4.45Å; W43-L149 HydrophobicContact CD2-CB 4.13Å; W43-L149 HydrophobicContact CD2-CD1 4.49Å; W43-L149 HydrophobicContact CE3-CB 3.81Å; W43-L149 HydrophobicContact CG-CB 4.29Å; W43-L149 HydrophobicContact CG-CD1 4.24Å; F44-L149 CarbonylContact O-C 3.5Å; F44-L149 VanDerWaalsContact O-CA 3.29Å; F44-L149 WeakPolarHBondContact O-CA 3.36Å; V45-L149 HydrophobicContact CB-CD2 4.26Å; V45-L149 HydrophobicContact CG1-CD2 4.27Å; V45-L149 HydrophobicContact CG2-CD2 3.64Å; F68-L149 HydrophobicContact CE2-CD1 4.14Å; F68-L149 HydrophobicContact CZ-CD1 4.11Å; F129-L149 CarbonylContact C-O 3.5Å; F129-L149 VanDerWaalsContact CA-O 3.24Å; F129-L149 WeakPolarHBondContact CA-O 3.48Å; A130-L149 HydrophobicContact CB-CB 4.05Å; A130-L149 HydrophobicContact CB-CD1 4.23Å; A130-L149 PolarHBondContact N-O 3.11Å; A130-L149 PolarHBondContact O-N 2.86Å; M132-L149 HydrophobicContact CG-CD1 3.97Å; M132-L149 HydrophobicContact SD-CD1 3.6Å; M132-L149 VanDerWaalsContact SD-CD1 3.6Å
150	S	95.2	Very high	90.6	Very high	0 Å²	0	54.8 Å²	54.8	0%	0	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	148.4	171.3	-166.6	0	0	0	0	112.8	F44 Q128 N152	F44-S150 PolarHBondContact N-O 2.77Å; F44-S150 PolarHBondContact O-N 3.34Å; Q128-S150 VanDerWaalsContact O-CA 3.26Å; Q128-S150 WeakPolarHBondContact O-CA 3.23Å; Q128-S150 PolarHBondContact O-OG 3.46Å; S150-N152 WeakPolarHBondContact CB-O 2.98Å; S150-N152 PolarHBondContact OG-N 2.9Å; S150-N152 PolarHBondContact OG-O 2.97Å
151	R	94.6	Very high	91.9	Very high	52 Å²	52	50.8 Å²	50.8	20%	0.196	28%	0.275	C	S	.	.	S	Bend	trans	-76.8	-14	171.3	-64.9	-58.6	-167.3	171.9	2.8	112.8	Q38 F39 Q40 E42 W43 Y126 T127 Q128	Q38-R151 PolarHBondContact O-NH2 2.8Å; F39-R151 PolarHBondContact O-NH2 3.45Å; Q40-R151 PolarHBondContact O-NH1 2.78Å; Q40-R151 VanDerWaalsContact O-NH1 3.14Å; Q40-R151 PolarHBondContact O-NH2 2.89Å; E42-R151 WeakPolarHBondContact O-CD 3.29Å; E42-R151 PolarHBondContact O-NH1 2.79Å; W43-R151 VanDerWaalsContact CE2-NE 3.31Å; W43-R151 HydrophobicContact CE3-CG 3.93Å; W43-R151 HydrophobicContact CH2-CG 3.94Å; W43-R151 VanDerWaalsContact CZ2-NH2 3.32Å; W43-R151 HydrophobicContact CZ3-CG 3.59Å; Y126-R151 PolarHBondContact O-NE 2.92Å; Y126-R151 VanDerWaalsContact O-NE 3.11Å; Y126-R151 PolarHBondContact O-NH2 2.71Å; T127-R151 WeakPolarHBondContact O-CB 3.48Å; T127-R151 VanDerWaalsContact O-CG 3.23Å; T127-R151 WeakPolarHBondContact O-CG 3.34Å; Q128-R151 PolarHBondContact O-N 2.87Å; Q128-R151 VanDerWaalsContact O-N 3.08Å
152	N	88.4	Confident	92.8	Very high	92 Å²	92	48.7 Å²	48.7	49%	0.492	26%	0.263	S	S	.	.	S	Bend	trans	-140	170.6	-178.1	-68.5	-62	0	0	0	109.8	S150 L154	S150-N152 WeakPolarHBondContact CB-O 2.98Å; S150-N152 PolarHBondContact OG-N 2.9Å; S150-N152 PolarHBondContact OG-O 2.97Å; N152-L154 PolarHBondContact O-N 3.05Å
153	W	82.6	Confident	93.4	Very high	83 Å²	83	47.2 Å²	47.2	31%	0.314	25%	0.251	S	S	.	.	S	Bend	trans	-71.8	-13.7	173.4	-65.6	96.5	0	0	0	113.8	F44 L46 P63 V182 W185	F44-W153 AromaticContact CD1-CE2 3.89Å; F44-W153 AromaticContact CD1-CH2 3.91Å; F44-W153 HydrophobicContact CD1-CH2 3.91Å; F44-W153 AromaticContact CD1-CZ2 3.38Å; F44-W153 HydrophobicContact CD1-CZ2 3.38Å; F44-W153 AromaticContact CE1-CE2 3.81Å; F44-W153 HydrophobicContact CE1-CH2 4.36Å; F44-W153 AromaticContact CE1-CZ2 3.42Å; F44-W153 HydrophobicContact CE1-CZ2 3.42Å; F44-W153 VanDerWaalsContact CE1-CZ2 3.42Å; F44-W153 AromaticContact CE1-NE1 3.89Å; F44-W153 HydrophobicContact CG-CZ2 4.12Å; F44-W153 HydrophobicContact CZ-CZ2 4.19Å; F44-W153 AromaticContact CZ-NE1 3.74Å; L46-W153 HydrophobicContact CD2-CE3 3.72Å; L46-W153 HydrophobicContact CD2-CZ3 3.69Å; P63-W153 HydrophobicContact CB-CH2 3.58Å; P63-W153 HydrophobicContact CB-CZ3 3.91Å; P63-W153 HydrophobicContact CG-CH2 4.3Å; P63-W153 HydrophobicContact CG-CZ3 4.33Å; W153-V182 HydrophobicContact CE3-CG1 4.26Å; W153-V182 HydrophobicContact CZ3-CG1 3.79Å; W153-W185 AromaticContact CE2-CD1 3.94Å; W153-W185 AromaticContact CE2-NE1 3.44Å; W153-W185 AromaticContact CH2-CD1 3.65Å; W153-W185 HydrophobicContact CH2-CD2 4.04Å; W153-W185 AromaticContact CH2-CE2 3.57Å; W153-W185 HydrophobicContact CH2-CG 4.09Å; W153-W185 HydrophobicContact CH2-CZ2 4.08Å; W153-W185 AromaticContact CH2-NE1 3.35Å; W153-W185 AromaticContact CZ2-CD1 3.58Å; W153-W185 HydrophobicContact CZ2-CD2 4.24Å; W153-W185 AromaticContact CZ2-CE2 3.34Å; W153-W185 HydrophobicContact CZ2-CG 4.35Å; W153-W185 AromaticContact CZ2-CZ2 3.71Å; W153-W185 HydrophobicContact CZ2-CZ2 3.71Å; W153-W185 AromaticContact CZ2-NE1 2.89Å; W153-W185 AromaticContact NE1-NE1 3.96Å
154	L	85.2	Confident	93.7	Very high	150 Å²	150	47.2 Å²	47.2	79%	0.785	25%	0.249	S	C	*	.	S	Bend	trans	-104.6	121.5	-178.9	-73.5	155.7	0	0	0	110.3	N152	N152-L154 PolarHBondContact O-N 3.05Å
155	L	90	Very high	93.8	Very high	45 Å²	45	47.4 Å²	47.4	24%	0.236	25%	0.251	C	S	.	.	P	Polyproline II helix	trans	-85.5	140.9	176.6	-70.3	168.3	0	0	0	111.3	L46 L148 T159 L160	L46-L155 HydrophobicContact CD1-CD1 4.4Å; L46-L155 HydrophobicContact CD1-CD2 4.07Å; L46-L155 HydrophobicContact CD1-CG 4Å; L148-L155 HydrophobicContact CD1-CD2 4Å; L148-L155 HydrophobicContact CD2-CD1 3.65Å; L148-L155 HydrophobicContact CD2-CD2 4.41Å; L148-L155 HydrophobicContact CG-CD1 4.39Å; L148-L155 HydrophobicContact CG-CD2 4.3Å; L155-T159 HydrophobicContact CD2-CG2 4.02Å; L155-L160 HydrophobicContact CD1-CD1 4.36Å; L155-L160 HydrophobicContact CD1-CD2 3.69Å; L155-L160 HydrophobicContact CD1-CG 3.74Å
156	P	93.4	Very high	93.8	Very high	20 Å²	20	44.3 Å²	44.3	13%	0.13	24%	0.24	C	C	.	.	P	Polyproline II helix	trans	-57.4	148.5	169.9	-24.3	33.8	0	0	0	111.9	Q128 F129 G158 T159	Q128-P156 HydrophobicContact CB-CG 3.47Å; Q128-P156 VanDerWaalsContact CB-CG 3.47Å; Q128-P156 HydrophobicContact CG-CG 4.21Å; F129-P156 HydrophobicContact CD1-CG 4.15Å; P156-G158 PolarHBondContact O-N 2.87Å; P156-T159 VanDerWaalsContact O-CB 3.32Å; P156-T159 WeakPolarHBondContact O-CB 3.42Å; P156-T159 PolarHBondContact O-N 2.9Å; P156-T159 VanDerWaalsContact O-N 3.14Å; P156-T159 PolarHBondContact O-OG1 2.92Å; P156-T159 VanDerWaalsContact O-OG1 3.07Å
157	P	93.8	Very high	93.7	Very high	129 Å²	129	44.3 Å²	44.3	84%	0.838	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	-53.4	134.4	175.8	-27	34.9	0	0	0	112.5	T159	P157-T159 VanDerWaalsContact C-N 3.29Å; P157-T159 PolarHBondContact O-N 3.28Å
158	G	93.3	Very high	93.6	Very high	32 Å²	32	49.1 Å²	49.1	33%	0.33	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	78.9	0.4	179.8	0	0	0	0	0	115.5	P156 Q162	P156-G158 PolarHBondContact O-N 2.87Å; G158-Q162 WeakPolarHBondContact O-CG 3.17Å; G158-Q162 PolarHBondContact O-N 3.23Å; G158-Q162 PolarHBondContact O-NE2 3Å
159	T	95.1	Very high	93.4	Very high	2 Å²	2	49.5 Å²	49.5	1%	0.012	26%	0.258	C	S	.	.	H	α-helix	trans	-69.9	-40.2	175.2	-61.8	0	0	0	0	112	F129 L148 L155 P156 P157 Q162 F163	F129-T159 HydrophobicContact CB-CG2 3.87Å; F129-T159 HydrophobicContact CD1-CG2 4.46Å; F129-T159 HydrophobicContact CD2-CG2 3.57Å; F129-T159 HydrophobicContact CE2-CG2 4.25Å; F129-T159 HydrophobicContact CG-CG2 3.7Å; L148-T159 HydrophobicContact CD1-CG2 3.6Å; L155-T159 HydrophobicContact CD2-CG2 4.02Å; P156-T159 VanDerWaalsContact O-CB 3.32Å; P156-T159 WeakPolarHBondContact O-CB 3.42Å; P156-T159 PolarHBondContact O-N 2.9Å; P156-T159 VanDerWaalsContact O-N 3.14Å; P156-T159 PolarHBondContact O-OG1 2.92Å; P156-T159 VanDerWaalsContact O-OG1 3.07Å; P157-T159 VanDerWaalsContact C-N 3.29Å; P157-T159 PolarHBondContact O-N 3.28Å; T159-Q162 WeakPolarHBondContact O-CB 3.2Å; T159-Q162 PolarHBondContact O-N 3.46Å; T159-F163 PolarHBondContact O-N 3.2Å
160	L	94.9	Very high	93.2	Very high	71 Å²	71	50 Å²	50	37%	0.372	26%	0.26	S	S	.	.	H	α-helix	trans	-62.3	-42.3	174.8	-77	172.6	0	0	0	111.9	L148 L155 Q162 F163 F164 F179	L148-L160 HydrophobicContact CD2-CD2 3.68Å; L155-L160 HydrophobicContact CD1-CD1 4.36Å; L155-L160 HydrophobicContact CD1-CD2 3.69Å; L155-L160 HydrophobicContact CD1-CG 3.74Å; L160-Q162 VanDerWaalsContact C-N 3.3Å; L160-Q162 PolarHBondContact O-N 3.38Å; L160-F163 WeakPolarHBondContact O-CB 3.37Å; L160-F163 PolarHBondContact O-N 2.98Å; L160-F163 VanDerWaalsContact O-N 3.11Å; L160-F164 HydrophobicContact CB-CE2 4.28Å; L160-F164 WeakPolarHBondContact O-CD2 3.27Å; L160-F164 PolarHBondContact O-N 3.38Å; L160-F179 HydrophobicContact CD2-CE1 3.86Å; L160-F179 HydrophobicContact CD2-CZ 4.31Å
161	D	95.9	Very high	93	Very high	105 Å²	105	53 Å²	53	56%	0.561	29%	0.291	S	S	*	.	H	α-helix	trans	-60.6	-41.3	176.7	-62.7	-35.7	0	0	0	111.5	F163 F164 C165	D161-F163 VanDerWaalsContact C-N 3.34Å; D161-F163 PolarHBondContact O-N 3.31Å; D161-F164 PolarHBondContact O-N 3.12Å; D161-C165 VanDerWaalsContact O-CB 3.24Å; D161-C165 WeakPolarHBondContact O-CB 3.2Å; D161-C165 PolarHBondContact O-N 2.93Å; D161-C165 PolarHBondContact O-SG 2.74Å
162	Q	95.7	Very high	93	Very high	50 Å²	50	51 Å²	51	23%	0.234	28%	0.284	C	S	.	.	H	α-helix	trans	-61.7	-41.4	174.6	-72.7	171.5	67.9	0	0	112.1	N123 L131 G158 T159 L160 C165 L166	N123-Q162 PolarHBondContact ND2-OE1 3.02Å; L131-Q162 HydrophobicContact CD1-CB 3.91Å; G158-Q162 WeakPolarHBondContact O-CG 3.17Å; G158-Q162 PolarHBondContact O-N 3.23Å; G158-Q162 PolarHBondContact O-NE2 3Å; T159-Q162 WeakPolarHBondContact O-CB 3.2Å; T159-Q162 PolarHBondContact O-N 3.46Å; L160-Q162 VanDerWaalsContact C-N 3.3Å; L160-Q162 PolarHBondContact O-N 3.38Å; Q162-C165 PolarHBondContact O-N 3.47Å; Q162-L166 VanDerWaalsContact O-CB 3.29Å; Q162-L166 WeakPolarHBondContact O-CB 3.16Å; Q162-L166 PolarHBondContact O-N 3.06Å
163	F	96.8	Very high	93.2	Very high	0 Å²	0	49.2 Å²	49.2	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-63.4	-45.4	176.8	173.9	-114.3	0	0	0	112.2	A49 L131 I146 L148 T159 L160 D161 L166 S167 I177 F179	A49-F163 HydrophobicContact CB-CE2 4.04Å; A49-F163 HydrophobicContact CB-CZ 3.71Å; L131-F163 HydrophobicContact CD2-CB 3.94Å; L131-F163 HydrophobicContact CD2-CD2 4.03Å; L131-F163 HydrophobicContact CD2-CG 4.44Å; I146-F163 HydrophobicContact CB-CE2 4.22Å; I146-F163 HydrophobicContact CG2-CD2 3.87Å; I146-F163 HydrophobicContact CG2-CE2 3.73Å; L148-F163 HydrophobicContact CB-CD2 3.81Å; L148-F163 HydrophobicContact CB-CE2 4.01Å; L148-F163 HydrophobicContact CB-CG 4.07Å; L148-F163 HydrophobicContact CB-CZ 4.44Å; L148-F163 HydrophobicContact CD2-CB 4.24Å; L148-F163 HydrophobicContact CD2-CD1 4.2Å; L148-F163 HydrophobicContact CD2-CG 4.15Å; T159-F163 PolarHBondContact O-N 3.2Å; L160-F163 WeakPolarHBondContact O-CB 3.37Å; L160-F163 PolarHBondContact O-N 2.98Å; L160-F163 VanDerWaalsContact O-N 3.11Å; D161-F163 VanDerWaalsContact C-N 3.34Å; D161-F163 PolarHBondContact O-N 3.31Å; F163-L166 PolarHBondContact O-N 3.27Å; F163-S167 WeakPolarHBondContact O-CB 3.22Å; F163-S167 PolarHBondContact O-N 3.24Å; F163-S167 PolarHBondContact O-OG 3.33Å; F163-I177 HydrophobicContact CE1-CG2 3.57Å; F163-I177 HydrophobicContact CZ-CG2 4.08Å; F163-F179 HydrophobicContact CD1-CE1 4.35Å; F163-F179 HydrophobicContact CD1-CZ 4.27Å; F163-F179 HydrophobicContact CE1-CE1 4.03Å; F163-F179 AromaticContact CE1-CZ 3.95Å; F163-F179 HydrophobicContact CE1-CZ 3.95Å
164	F	96.1	Very high	93.6	Very high	53 Å²	53	49.1 Å²	49.1	23%	0.232	29%	0.285	C	S	.	.	H	α-helix	trans	-64.1	-43.9	175.1	-70.2	-54.4	0	0	0	112.1	L160 D161 S167 R168 I177 F179	L160-F164 HydrophobicContact CB-CE2 4.28Å; L160-F164 WeakPolarHBondContact O-CD2 3.27Å; L160-F164 PolarHBondContact O-N 3.38Å; D161-F164 PolarHBondContact O-N 3.12Å; F164-S167 WeakPolarHBondContact O-CB 3.5Å; F164-S167 PolarHBondContact O-N 2.81Å; F164-R168 WeakPolarHBondContact O-CG 3.49Å; F164-R168 PolarHBondContact O-N 3Å; F164-I177 HydrophobicContact CD1-CD1 3.52Å; F164-I177 HydrophobicContact CE1-CD1 3.87Å; F164-I177 HydrophobicContact CE1-CG2 4.13Å; F164-F179 HydrophobicContact CE1-CE2 4.03Å; F164-F179 AromaticContact CE1-CZ 3.77Å; F164-F179 HydrophobicContact CE1-CZ 3.77Å; F164-F179 AromaticContact CZ-CE2 3.91Å; F164-F179 HydrophobicContact CZ-CE2 3.91Å; F164-F179 AromaticContact CZ-CZ 3.55Å; F164-F179 HydrophobicContact CZ-CZ 3.55Å
165	C	95.2	Very high	94	Very high	19 Å²	19	46.5 Å²	46.5	13%	0.128	27%	0.272	C	S	.	.	H	α-helix	trans	-61.8	-44.8	177.5	-74.6	0	0	0	0	112	C5 D161 Q162 S167 R168 A169	C5-C165 HydrophobicContact CB-CB 3.86Å; C5-C165 WeakPolarHBondContact CB-SG 3.35Å; C5-C165 WeakPolarHBondContact SG-CB 3.41Å; C5-C165 CovalentContact SG-SG 2.03Å; C5-C165 PolarHBondContact SG-SG 3.33Å; D161-C165 VanDerWaalsContact O-CB 3.24Å; D161-C165 WeakPolarHBondContact O-CB 3.2Å; D161-C165 PolarHBondContact O-N 2.93Å; D161-C165 PolarHBondContact O-SG 2.74Å; Q162-C165 PolarHBondContact O-N 3.47Å; C165-S167 VanDerWaalsContact C-N 3.33Å; C165-S167 PolarHBondContact O-N 3.21Å; C165-R168 PolarHBondContact O-N 3.08Å; C165-A169 VanDerWaalsContact O-CB 3.25Å; C165-A169 WeakPolarHBondContact O-CB 3.22Å; C165-A169 PolarHBondContact O-N 2.84Å
166	L	95.7	Very high	94.2	Very high	6 Å²	6	45.4 Å²	45.4	3%	0.031	27%	0.266	C	S	.	.	H	α-helix	trans	-61	-44.1	175.8	177.5	58.2	0	0	0	111	W8 P28 V122 L131 L133 I146 Q162 F163 A169 Q170	W8-L166 HydrophobicContact CE3-CD1 4.3Å; W8-L166 HydrophobicContact CH2-CD1 3.71Å; W8-L166 HydrophobicContact CZ3-CD1 3.39Å; P28-L166 HydrophobicContact CG-CD1 3.95Å; V122-L166 HydrophobicContact CB-CD2 4.28Å; V122-L166 HydrophobicContact CG1-CD1 4.33Å; V122-L166 HydrophobicContact CG1-CD2 4.17Å; V122-L166 HydrophobicContact CG2-CD2 4.23Å; L131-L166 HydrophobicContact CB-CD2 4.2Å; L131-L166 HydrophobicContact CD1-CD2 4.27Å; L133-L166 HydrophobicContact CD1-CD1 4.27Å; I146-L166 HydrophobicContact CD1-CG 4.01Å; I146-L166 HydrophobicContact CG2-CD2 3.67Å; I146-L166 HydrophobicContact CG2-CG 4.21Å; Q162-L166 VanDerWaalsContact O-CB 3.29Å; Q162-L166 WeakPolarHBondContact O-CB 3.16Å; Q162-L166 PolarHBondContact O-N 3.06Å; F163-L166 PolarHBondContact O-N 3.27Å; L166-A169 PolarHBondContact O-N 2.97Å; L166-Q170 HydrophobicContact CD1-CG 4.38Å; L166-Q170 WeakPolarHBondContact O-CG 3.15Å; L166-Q170 PolarHBondContact O-N 3.45Å; L166-Q170 VanDerWaalsContact O-N 3.12Å
167	S	95.4	Very high	94.3	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-58.8	-51.3	177.9	-58.8	0	0	0	0	112	A49 F163 F164 C165 A169 Q170 G171 L172	A49-S167 VanDerWaalsContact CB-OG 3.24Å; A49-S167 WeakPolarHBondContact CB-OG 3.48Å; F163-S167 WeakPolarHBondContact O-CB 3.22Å; F163-S167 PolarHBondContact O-N 3.24Å; F163-S167 PolarHBondContact O-OG 3.33Å; F164-S167 WeakPolarHBondContact O-CB 3.5Å; F164-S167 PolarHBondContact O-N 2.81Å; C165-S167 VanDerWaalsContact C-N 3.33Å; C165-S167 PolarHBondContact O-N 3.21Å; S167-A169 PolarHBondContact O-N 3.18Å; S167-Q170 CarbonylContact O-C 3.51Å; S167-Q170 PolarHBondContact O-N 3.06Å; S167-Q170 VanDerWaalsContact O-N 3.08Å; S167-G171 PolarHBondContact O-N 3.36Å; S167-L172 WeakPolarHBondContact O-CB 3.4Å; S167-L172 PolarHBondContact O-N 3.46Å; S167-L172 VanDerWaalsContact O-N 3.07Å
168	R	94.6	Very high	94.2	Very high	120 Å²	120	38.4 Å²	38.4	45%	0.453	22%	0.22	S	C	.	.	H	α-helix	trans	-65.4	-37.8	178.7	-68.3	172.1	-175.9	161.9	-0.8	112.4	F164 C165 Q170 G171 D174	F164-R168 WeakPolarHBondContact O-CG 3.49Å; F164-R168 PolarHBondContact O-N 3Å; C165-R168 PolarHBondContact O-N 3.08Å; R168-Q170 PolarHBondContact O-N 3.13Å; R168-G171 PolarHBondContact O-N 3.33Å; R168-D174 IonicContact CZ-OD1 2.97Å; R168-D174 IonicContact NE-OD1 2.72Å; R168-D174 PolarHBondContact NE-OD1 3.04Å; R168-D174 IonicContact NH2-OD1 3.45Å; R168-D174 PolarHBondContact NH2-OD1 3Å; R168-D174 IonicContact NH2-OD2 3.91Å; R168-D174 PolarHBondContact NH2-OD2 3.31Å; R168-D174 VanDerWaalsContact NH2-OD2 3.11Å
169	A	92.3	Very high	94	Very high	7 Å²	7	40.5 Å²	40.5	6%	0.058	22%	0.22	C	C	.	.	H	α-helix	trans	-63.9	-23.2	175.1	0	0	0	0	0	112.7	W8 C165 L166 S167 G171	W8-A169 HydrophobicContact CB-CB 4.25Å; W8-A169 HydrophobicContact CE3-CB 3.83Å; C165-A169 VanDerWaalsContact O-CB 3.25Å; C165-A169 WeakPolarHBondContact O-CB 3.22Å; C165-A169 PolarHBondContact O-N 2.84Å; L166-A169 PolarHBondContact O-N 2.97Å; S167-A169 PolarHBondContact O-N 3.18Å; A169-G171 VanDerWaalsContact C-N 3.35Å
170	Q	92.6	Very high	93.4	Very high	14 Å²	14	41.1 Å²	41.1	7%	0.065	22%	0.224	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.5	14.9	172.4	-59.5	-64.6	-70.9	0	0	113.2	T26 L133 L144 I146 L166 S167 R168 L172	T26-Q170 PolarHBondContact O-NE2 3.26Å; L133-Q170 HydrophobicContact CD1-CG 3.73Å; L144-Q170 HydrophobicContact CD2-CB 3.52Å; L144-Q170 HydrophobicContact CD2-CG 4.36Å; I146-Q170 HydrophobicContact CD1-CB 4.4Å; I146-Q170 HydrophobicContact CD1-CG 4.27Å; L166-Q170 HydrophobicContact CD1-CG 4.38Å; L166-Q170 WeakPolarHBondContact O-CG 3.15Å; L166-Q170 PolarHBondContact O-N 3.45Å; L166-Q170 VanDerWaalsContact O-N 3.12Å; S167-Q170 CarbonylContact O-C 3.51Å; S167-Q170 PolarHBondContact O-N 3.06Å; S167-Q170 VanDerWaalsContact O-N 3.08Å; R168-Q170 PolarHBondContact O-N 3.13Å; Q170-L172 VanDerWaalsContact C-N 3.34Å; Q170-L172 PolarHBondContact O-N 3.2Å
171	G	92.1	Very high	92.4	Very high	62 Å²	62	41.9 Å²	41.9	64%	0.639	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	77.1	15.3	173.5	0	0	0	0	0	114.8	S167 R168 A169	S167-G171 PolarHBondContact O-N 3.36Å; R168-G171 PolarHBondContact O-N 3.33Å; A169-G171 VanDerWaalsContact C-N 3.35Å
172	L	93.1	Very high	91.2	Very high	11 Å²	11	40.5 Å²	40.5	6%	0.058	22%	0.224	C	C	.	.			trans	-85.4	139.8	175.8	-59.1	175.6	0	0	0	110.6	A49 N51 L144 I146 S167 Q170 N176	A49-L172 HydrophobicContact CB-CD1 3.83Å; N51-L172 HydrophobicContact CB-CD2 4.04Å; L144-L172 HydrophobicContact CD2-CD1 3.91Å; L144-L172 HydrophobicContact CD2-CD2 4.08Å; L144-L172 HydrophobicContact CD2-CG 3.95Å; I146-L172 HydrophobicContact CD1-CD1 3.91Å; S167-L172 WeakPolarHBondContact O-CB 3.4Å; S167-L172 PolarHBondContact O-N 3.46Å; S167-L172 VanDerWaalsContact O-N 3.07Å; Q170-L172 VanDerWaalsContact C-N 3.34Å; Q170-L172 PolarHBondContact O-N 3.2Å; L172-N176 HydrophobicContact CB-CB 4.06Å; L172-N176 HydrophobicContact CD2-CB 4.08Å
173	S	93.4	Very high	89.8	Confident	55 Å²	55	43.4 Å²	43.4	39%	0.385	25%	0.245	S	C	.	.			trans	-87.2	170.1	169.4	70.7	0	0	0	0	111	D175 N176	S173-D175 PolarHBondContact O-N 3.2Å; S173-D175 PolarHBondContact OG-N 3.13Å; S173-N176 PolarHBondContact N-OD1 3.03Å; S173-N176 WeakPolarHBondContact O-CB 3.3Å; S173-N176 PolarHBondContact O-N 3.31Å; S173-N176 PolarHBondContact OG-OD1 2.61Å
174	D	91.5	Very high	88	Confident	80 Å²	80	51.2 Å²	51.2	43%	0.428	29%	0.287	S	S	.	.	G	3₁₀ helix	trans	-64.1	-23.3	177.3	-63.4	-7.5	0	0	0	112	R168 N176 I177	R168-D174 IonicContact CZ-OD1 2.97Å; R168-D174 IonicContact NE-OD1 2.72Å; R168-D174 PolarHBondContact NE-OD1 3.04Å; R168-D174 IonicContact NH2-OD1 3.45Å; R168-D174 PolarHBondContact NH2-OD1 3Å; R168-D174 IonicContact NH2-OD2 3.91Å; R168-D174 PolarHBondContact NH2-OD2 3.31Å; R168-D174 VanDerWaalsContact NH2-OD2 3.11Å; D174-N176 PolarHBondContact O-N 2.86Å; D174-I177 WeakPolarHBondContact O-CB 3.36Å; D174-I177 PolarHBondContact O-N 3.16Å; D174-I177 VanDerWaalsContact O-N 3.12Å
175	D	93.3	Very high	86.2	Confident	96 Å²	96	51.1 Å²	51.1	51%	0.513	29%	0.285	S	S	.	.	G	3₁₀ helix	trans	-70.3	-20	173.5	-65.1	-26.9	0	0	0	113.1	P55 S173	P55-D175 WeakPolarHBondContact CD-O 3.4Å; P55-D175 HydrophobicContact CG-CB 4Å; S173-D175 PolarHBondContact O-N 3.2Å; S173-D175 PolarHBondContact OG-N 3.13Å
176	N	94.7	Very high	84.4	Confident	22 Å²	22	52.5 Å²	52.5	12%	0.118	30%	0.295	C	S	.	.	G	3₁₀ helix	trans	-85	2.1	173.7	-58.5	138.4	0	0	0	112.5	A49 G50 F53 R54 L172 S173 D174	A49-N176 VanDerWaalsContact CA-O 3.29Å; A49-N176 WeakPolarHBondContact CA-O 2.94Å; G50-N176 PolarHBondContact N-O 2.03Å; G50-N176 WeakPolarHBondContact O-CB 3.22Å; F53-N176 PolarHBondContact O-ND2 2.89Å; R54-N176 PolarHBondContact NH1-ND2 3.41Å; L172-N176 HydrophobicContact CB-CB 4.06Å; L172-N176 HydrophobicContact CD2-CB 4.08Å; S173-N176 PolarHBondContact N-OD1 3.03Å; S173-N176 WeakPolarHBondContact O-CB 3.3Å; S173-N176 PolarHBondContact O-N 3.31Å; S173-N176 PolarHBondContact OG-OD1 2.61Å; D174-N176 PolarHBondContact O-N 2.86Å
177	I	94.1	Very high	82.4	Confident	2 Å²	2	56.5 Å²	56.5	1%	0.01	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	131.3	-177.1	-50.1	-176.8	0	0	0	109.7	L48 A49 R58 F163 F164 D174 F179	L48-I177 WeakPolarHBondContact O-CA 3.04Å; A49-I177 HydrophobicContact CB-CB 4.47Å; A49-I177 HydrophobicContact CB-CD1 4.49Å; A49-I177 HydrophobicContact CB-CG1 3.83Å; A49-I177 HydrophobicContact CB-CG2 4.46Å; R58-I177 PolarHBondContact NE-O 2.85Å; R58-I177 PolarHBondContact NH2-O 2.83Å; F163-I177 HydrophobicContact CE1-CG2 3.57Å; F163-I177 HydrophobicContact CZ-CG2 4.08Å; F164-I177 HydrophobicContact CD1-CD1 3.52Å; F164-I177 HydrophobicContact CE1-CD1 3.87Å; F164-I177 HydrophobicContact CE1-CG2 4.13Å; D174-I177 WeakPolarHBondContact O-CB 3.36Å; D174-I177 PolarHBondContact O-N 3.16Å; D174-I177 VanDerWaalsContact O-N 3.12Å; I177-F179 HydrophobicContact CG2-CD2 4.44Å; I177-F179 HydrophobicContact CG2-CE2 3.71Å; I177-F179 HydrophobicContact CG2-CZ 3.88Å
178	V	92.5	Very high	80.3	Confident	0 Å²	0	65 Å²	65	0%	0	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	133.4	-176.1	-63.7	0	0	0	0	108.9	L48 F53 R58 L61	L48-V178 HydrophobicContact CB-CG2 3.83Å; L48-V178 PolarHBondContact N-O 3.37Å; L48-V178 WeakPolarHBondContact O-CG2 3.26Å; L48-V178 PolarHBondContact O-N 3.12Å; L48-V178 VanDerWaalsContact O-O 3.11Å; F53-V178 HydrophobicContact CB-CG1 4.17Å; F53-V178 HydrophobicContact CB-CG2 4.23Å; F53-V178 HydrophobicContact CD1-CG2 4.05Å; F53-V178 HydrophobicContact CD2-CG2 4.17Å; F53-V178 HydrophobicContact CG-CG2 3.9Å; R58-V178 HydrophobicContact CG-CB 3.97Å; R58-V178 HydrophobicContact CG-CG1 3.58Å; L61-V178 HydrophobicContact CD1-CB 3.63Å; L61-V178 HydrophobicContact CD1-CG1 4.38Å; L61-V178 HydrophobicContact CD1-CG2 3.14Å
179	F	89.8	Confident	78.3	Confident	75 Å²	75	61.6 Å²	61.6	33%	0.329	36%	0.358	S	S	.	.			trans	-111.1	138.5	174.4	-64.4	-83.1	0	0	0	107.4	L46 L160 F163 F164 I177	L46-F179 WeakPolarHBondContact O-CD1 3.12Å; L160-F179 HydrophobicContact CD2-CE1 3.86Å; L160-F179 HydrophobicContact CD2-CZ 4.31Å; F163-F179 HydrophobicContact CD1-CE1 4.35Å; F163-F179 HydrophobicContact CD1-CZ 4.27Å; F163-F179 HydrophobicContact CE1-CE1 4.03Å; F163-F179 AromaticContact CE1-CZ 3.95Å; F163-F179 HydrophobicContact CE1-CZ 3.95Å; F164-F179 HydrophobicContact CE1-CE2 4.03Å; F164-F179 AromaticContact CE1-CZ 3.77Å; F164-F179 HydrophobicContact CE1-CZ 3.77Å; F164-F179 AromaticContact CZ-CE2 3.91Å; F164-F179 HydrophobicContact CZ-CE2 3.91Å; F164-F179 AromaticContact CZ-CZ 3.55Å; F164-F179 HydrophobicContact CZ-CZ 3.55Å; I177-F179 HydrophobicContact CG2-CD2 4.44Å; I177-F179 HydrophobicContact CG2-CE2 3.71Å; I177-F179 HydrophobicContact CG2-CZ 3.88Å
180	P	81	Confident	76.3	Confident	15 Å²	15	67.3 Å²	67.3	10%	0.097	40%	0.398	C	S	.	.			trans	-61.4	144.4	174.3	-16.8	29.1	0	0	0	111.3	V45 L46 L61 P63 V182	V45-P180 WeakPolarHBondContact O-CG 3.13Å; L46-P180 WeakPolarHBondContact O-CD 3.25Å; L61-P180 VanDerWaalsContact O-CA 3.27Å; L61-P180 WeakPolarHBondContact O-CA 3.29Å; P63-P180 HydrophobicContact CB-CB 4.2Å; P63-P180 HydrophobicContact CG-CB 3.9Å; P180-V182 PolarHBondContact O-N 3.14Å
181	D	75.6	Confident	74.7	Confident	88 Å²	88	68.1 Å²	68.1	47%	0.471	40%	0.404	S	S	.	.			trans	-76.2	116.4	174.2	-165.2	-13.2	0	0	0	110.4	L61 P63 T183	L61-D181 PolarHBondContact O-N 3.09Å; L61-D181 VanDerWaalsContact O-N 3.16Å; P63-D181 WeakPolarHBondContact CD-O 3.48Å; P63-D181 WeakPolarHBondContact CG-O 3.47Å; D181-T183 VanDerWaalsContact CG-OG1 3.28Å; D181-T183 WeakPolarHBondContact OD1-CB 3.18Å; D181-T183 PolarHBondContact OD1-N 3.15Å; D181-T183 PolarHBondContact OD1-OG1 3.42Å; D181-T183 PolarHBondContact OD2-OG1 3.36Å
182	V	70.8	Confident	73.4	Confident	75 Å²	75	68.8 Å²	68.8	46%	0.455	40%	0.397	S	S	.	.			trans	-103.2	5.1	-178.7	-66.2	0	0	0	0	112.9	P63 W153 P180 D184 W185	P63-V182 HydrophobicContact CG-CG1 3.71Å; W153-V182 HydrophobicContact CE3-CG1 4.26Å; W153-V182 HydrophobicContact CZ3-CG1 3.79Å; P180-V182 PolarHBondContact O-N 3.14Å; V182-D184 VanDerWaalsContact C-N 3.3Å; V182-D184 PolarHBondContact O-N 2.82Å; V182-W185 HydrophobicContact CB-CB 4.46Å; V182-W185 PolarHBondContact O-N 2.79Å
183	T	65.7	Low	72.4	Confident	111 Å²	111	71.7 Å²	71.7	68%	0.681	41%	0.414	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.9	-32.3	-173.1	44.4	0	0	0	0	114.1	D181	D181-T183 VanDerWaalsContact CG-OG1 3.28Å; D181-T183 WeakPolarHBondContact OD1-CB 3.18Å; D181-T183 PolarHBondContact OD1-N 3.15Å; D181-T183 PolarHBondContact OD1-OG1 3.42Å; D181-T183 PolarHBondContact OD2-OG1 3.36Å
184	D	57.8	Low	71.3	Confident	164 Å²	164	72.5 Å²	72.5	88%	0.877	42%	0.416	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.3	8.8	177.5	-69	-31.7	0	0	0	113.5	V182	V182-D184 VanDerWaalsContact C-N 3.3Å; V182-D184 PolarHBondContact O-N 2.82Å
185	W	59.2	Low	70.2	Confident	52 Å²	52	72.1 Å²	72.1	20%	0.197	42%	0.415	C	S	.	.			trans	-85.5	127.1	-176	-178.6	-91.3	0	0	0	112	P63 T83 W153 V182 V191	P63-W185 HydrophobicContact CB-CD2 4.39Å; P63-W185 HydrophobicContact CB-CE3 4.27Å; P63-W185 HydrophobicContact CG-CB 4.44Å; P63-W185 HydrophobicContact CG-CD2 4.37Å; P63-W185 HydrophobicContact CG-CE3 4.27Å; P63-W185 HydrophobicContact CG-CG 4.45Å; T83-W185 HydrophobicContact CG2-CZ3 4.39Å; W153-W185 AromaticContact CE2-CD1 3.94Å; W153-W185 AromaticContact CE2-NE1 3.44Å; W153-W185 AromaticContact CH2-CD1 3.65Å; W153-W185 HydrophobicContact CH2-CD2 4.04Å; W153-W185 AromaticContact CH2-CE2 3.57Å; W153-W185 HydrophobicContact CH2-CG 4.09Å; W153-W185 HydrophobicContact CH2-CZ2 4.08Å; W153-W185 AromaticContact CH2-NE1 3.35Å; W153-W185 AromaticContact CZ2-CD1 3.58Å; W153-W185 HydrophobicContact CZ2-CD2 4.24Å; W153-W185 AromaticContact CZ2-CE2 3.34Å; W153-W185 HydrophobicContact CZ2-CG 4.35Å; W153-W185 AromaticContact CZ2-CZ2 3.71Å; W153-W185 HydrophobicContact CZ2-CZ2 3.71Å; W153-W185 AromaticContact CZ2-NE1 2.89Å; W153-W185 AromaticContact NE1-NE1 3.96Å; V182-W185 HydrophobicContact CB-CB 4.46Å; V182-W185 PolarHBondContact O-N 2.79Å; W185-V191 VanDerWaalsContact CH2-O 3.22Å; W185-V191 WeakPolarHBondContact CH2-O 3.45Å; W185-V191 HydrophobicContact CZ3-CB 4.25Å; W185-V191 HydrophobicContact CZ3-CG2 4.47Å
186	S	57.9	Low	68.8	Low	47 Å²	47	70.7 Å²	70.7	33%	0.329	41%	0.409	S	S	.	.			trans	-117.4	125	171.1	172.4	0	0	0	0	110	H188 A189	S186-H188 PolarHBondContact O-N 3.32Å; S186-H188 PolarHBondContact OG-N 3.42Å; S186-A189 PolarHBondContact O-N 3.28Å; S186-A189 PolarHBondContact OG-N 3.3Å
187	P	52.8	Low	67.2	Low	91 Å²	91	73.8 Å²	73.8	59%	0.591	43%	0.428	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.6	-7.3	176.2	26.8	-32.7	0	0	0	113.5
188	H	50.7	Low	65.4	Low	179 Å²	179	78.5 Å²	78.5	83%	0.829	46%	0.456	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108.6	-10.8	174.9	-63	-59	0	0	0	113.6	S186 S190	S186-H188 PolarHBondContact O-N 3.32Å; S186-H188 PolarHBondContact OG-N 3.42Å; H188-S190 PolarHBondContact O-N 2.76Å
189	A	53	Low	63.5	Low	48 Å²	48	84.1 Å²	84.1	40%	0.397	49%	0.488	S	S	.	.	S	Bend	trans	-76.8	121.6	170.2	0	0	0	0	0	106.7	S186 V191	S186-A189 PolarHBondContact O-N 3.28Å; S186-A189 PolarHBondContact OG-N 3.3Å; A189-V191 VanDerWaalsContact C-N 3.32Å; A189-V191 HydrophobicContact CB-CG2 3.73Å; A189-V191 VanDerWaalsContact O-CG2 3.3Å; A189-V191 WeakPolarHBondContact O-CG2 3.08Å; A189-V191 PolarHBondContact O-N 2.82Å
190	S	49.9	Very low	61.4	Low	126 Å²	126	84.8 Å²	84.8	88%	0.881	50%	0.5	S	S	*	.			trans	-62.7	96.4	171.9	50.1	0	0	0	0	108.8	H188	H188-S190 PolarHBondContact O-N 2.76Å
191	V	60	Low	59.8	Low	32 Å²	32	90.7 Å²	90.7	19%	0.194	53%	0.534	C	S	.	.			trans	-141.7	93.2	174.1	-123.3	0	0	0	0	107.6	T83 W185 A189	T83-V191 HydrophobicContact CG2-CB 3.59Å; T83-V191 HydrophobicContact CG2-CG1 3.1Å; T83-V191 HydrophobicContact CG2-CG2 4.46Å; T83-V191 WeakPolarHBondContact OG1-CA 3.37Å; T83-V191 WeakPolarHBondContact OG1-CB 3.26Å; T83-V191 VanDerWaalsContact OG1-CG1 3.29Å; T83-V191 WeakPolarHBondContact OG1-CG1 3.33Å; T83-V191 PolarHBondContact OG1-O 3.03Å; W185-V191 VanDerWaalsContact CH2-O 3.22Å; W185-V191 WeakPolarHBondContact CH2-O 3.45Å; W185-V191 HydrophobicContact CZ3-CB 4.25Å; W185-V191 HydrophobicContact CZ3-CG2 4.47Å; A189-V191 VanDerWaalsContact C-N 3.32Å; A189-V191 HydrophobicContact CB-CG2 3.73Å; A189-V191 VanDerWaalsContact O-CG2 3.3Å; A189-V191 WeakPolarHBondContact O-CG2 3.08Å; A189-V191 PolarHBondContact O-N 2.82Å
192	C	64.3	Low	58.4	Low	75 Å²	75	90.9 Å²	90.9	51%	0.507	54%	0.54	S	S	.	.			trans	40.8	0	-167.6	-26.8	0	0	0	0	111.4	A81 T83 C88	A81-C192 HydrophobicContact CB-CB 3.83Å; T83-C192 PolarHBondContact OG1-SG 3.03Å; C88-C192 WeakPolarHBondContact CA-SG 3.4Å; C88-C192 HydrophobicContact CB-CB 4.16Å; C88-C192 WeakPolarHBondContact CB-SG 3.04Å; C88-C192 WeakPolarHBondContact SG-CB 3.28Å; C88-C192 CovalentContact SG-SG 2.03Å; C88-C192 PolarHBondContact SG-SG 2.76Å

Retrieved 192 of 192 residues in 99 ms (Link to these results)

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