A0A087YPV6_POEFO Loading...

Adenosine deaminase tRNA specific 3

AlphaFold DB , UniProt , Accession A0A087YPV6, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 333 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	R	38	Very low	30.8	Very low	299 Å²	299	185.5 Å²	185.5	100%	1.128	89%	0.89	S	S	*	*				0	100.6	0	-146.4	175.6	-171.6	-179.6	1.7	105.6	T3	R1-T3 PolarHBondContact O-N 3.31Å
2	A	29.2	Very low	31	Very low	99 Å²	99	187.2 Å²	187.2	82%	0.818	89%	0.89	S	S	*	*			trans	-62.9	128.8	-170.6	0	0	0	0	0	110.8	M4	A2-M4 PolarHBondContact O-N 3.39Å
3	T	29.8	Very low	31	Very low	141 Å²	141	176.9 Å²	176.9	87%	0.865	86%	0.864	S	S	*	*			trans	-76	109.3	173	36.2	0	0	0	0	108.6	R1	R1-T3 PolarHBondContact O-N 3.31Å
4	M	26.7	Very low	31.6	Very low	186 Å²	186	172.5 Å²	172.5	92%	0.916	86%	0.86	S	S	*	*	P	Polyproline II helix	trans	-65.6	130.9	171.5	-68.7	177.4	-169.3	0	0	109.6	A2	A2-M4 PolarHBondContact O-N 3.39Å
5	E	30.8	Very low	32	Very low	175 Å²	175	175.2 Å²	175.2	82%	0.818	87%	0.865	S	S	*	*	P	Polyproline II helix	trans	-58.7	145.1	161.8	-70.6	176.1	138.8	0	0	109.7	E7	E5-E7 PolarHBondContact O-N 3.18Å
6	P	30.8	Very low	32.4	Very low	121 Å²	121	169.4 Å²	169.4	79%	0.786	85%	0.846	S	S	*	*	P	Polyproline II helix	trans	-67	120.1	177.5	26.7	-31.7	0	0	0	110.1	T8	P6-T8 PolarHBondContact O-N 3.27Å
7	E	30.4	Very low	33.4	Very low	196 Å²	196	166.9 Å²	166.9	92%	0.916	84%	0.835	S	S	*	*			trans	-56.8	108.9	175.7	-71.5	-174.9	149.6	0	0	110.9	E5 K9	E5-E7 PolarHBondContact O-N 3.18Å; E7-K9 PolarHBondContact O-N 3.35Å
8	T	31.3	Very low	34.2	Very low	131 Å²	131	164.1 Å²	164.1	80%	0.804	82%	0.823	S	S	*	*			trans	-61.2	122.6	164.6	44.6	0	0	0	0	109.1	P6 R10	P6-T8 PolarHBondContact O-N 3.27Å; T8-R10 PolarHBondContact O-N 3.27Å
9	K	28.5	Very low	35.5	Very low	209 Å²	209	160.4 Å²	160.4	91%	0.909	81%	0.807	S	S	*	*			trans	-44.3	113	175.9	-78.9	178	175.2	175.1	0	110.8	E7 W11	E7-K9 PolarHBondContact O-N 3.35Å; K9-W11 PolarHBondContact O-N 2.64Å
10	R	30.6	Very low	37.9	Very low	247 Å²	247	156.2 Å²	156.2	93%	0.932	79%	0.793	S	S	*	*			trans	-55.1	107	168.9	-95.7	176.7	164.8	173.9	-4.3	109.3	T8 K12	T8-R10 PolarHBondContact O-N 3.27Å; R10-K12 PolarHBondContact O-N 3.22Å
11	W	32.4	Very low	40.5	Very low	237 Å²	237	150.2 Å²	150.2	90%	0.898	76%	0.761	S	S	*	*			trans	-57.3	118.1	164.6	-171.6	-58.1	0	0	0	107.8	K9 G13	K9-W11 PolarHBondContact O-N 2.64Å; W11-G13 VanDerWaalsContact C-N 3.27Å; W11-G13 PolarHBondContact O-N 2.78Å
12	K	33.1	Very low	43.1	Very low	205 Å²	205	138.2 Å²	138.2	89%	0.891	72%	0.721	S	S	*	*			trans	-71.5	89.2	168.9	-87.3	-177	176.2	178.9	0	107.7	R10 S14	R10-K12 PolarHBondContact O-N 3.22Å; K12-S14 PolarHBondContact O-N 3.2Å
13	G	31.7	Very low	46.2	Very low	54 Å²	54	133.8 Å²	133.8	56%	0.557	68%	0.684	S	S	*	*			trans	-69.9	119.4	178.2	0	0	0	0	0	110	W11	W11-G13 VanDerWaalsContact C-N 3.27Å; W11-G13 PolarHBondContact O-N 2.78Å
14	S	39.1	Very low	49.3	Very low	115 Å²	115	130.9 Å²	130.9	80%	0.804	66%	0.659	S	S	*	*	S	Bend	trans	-50.8	140.4	148.3	-170.6	0	0	0	0	107.8	K12 C16	K12-S14 PolarHBondContact O-N 3.2Å; S14-C16 PolarHBondContact O-N 2.75Å
15	K	37.2	Very low	52.6	Low	213 Å²	213	122.8 Å²	122.8	93%	0.926	62%	0.621	S	S	*	*	S	Bend	trans	-30.8	103.8	-173.9	-81.3	179.1	172.9	179.5	0	111.2	D17	K15-D17 PolarHBondContact O-N 3.34Å
16	C	38.9	Very low	55.8	Low	83 Å²	83	114.9 Å²	114.9	56%	0.561	59%	0.585	S	S	*	*			trans	-72.7	125.4	-175.4	-171.5	0	0	0	0	107.7	S14 D18 S20	S14-C16 PolarHBondContact O-N 2.75Å; C16-D18 PolarHBondContact O-N 2.77Å; C16-S20 PolarHBondContact SG-OG 3.44Å; C16-S20 VanDerWaalsContact SG-OG 3.38Å
17	D	49.7	Very low	58.8	Low	126 Å²	126	110.2 Å²	110.2	67%	0.674	55%	0.553	S	S	*	*			trans	-58.3	118.8	170.1	-142.9	-2.1	0	0	0	107.3	K15 D19 S20	K15-D17 PolarHBondContact O-N 3.34Å; D17-D19 PolarHBondContact O-N 3.31Å; D17-S20 WeakPolarHBondContact O-CB 3.46Å; D17-S20 PolarHBondContact O-N 3.37Å; D17-S20 PolarHBondContact O-OG 3.12Å
18	D	47.8	Very low	61.8	Low	116 Å²	116	101.7 Å²	101.7	62%	0.62	52%	0.515	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.5	-17	-168.1	-117.8	-3.9	0	0	0	112.7	C16 R324	C16-D18 PolarHBondContact O-N 2.77Å; D18-R324 PolarHBondContact O-NH1 3.42Å; D18-R324 IonicContact OD1-CZ 3.48Å; D18-R324 IonicContact OD1-NH1 2.77Å; D18-R324 PolarHBondContact OD1-NH1 3.09Å
19	D	59.2	Low	64.8	Low	94 Å²	94	100 Å²	100	50%	0.503	50%	0.501	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.1	2.1	177.6	-77	-31.9	0	0	0	114.5	D17 W21 Q325	D17-D19 PolarHBondContact O-N 3.31Å; D19-W21 PolarHBondContact O-N 2.92Å; D19-Q325 PolarHBondContact OD1-NE2 2.95Å
20	S	82.1	Confident	67.8	Low	77 Å²	77	94.3 Å²	94.3	54%	0.538	48%	0.478	S	S	.	.			trans	-74.5	112.9	179.5	64.6	0	0	0	0	111.6	C16 D17	C16-S20 PolarHBondContact SG-OG 3.44Å; C16-S20 VanDerWaalsContact SG-OG 3.38Å; D17-S20 WeakPolarHBondContact O-CB 3.46Å; D17-S20 PolarHBondContact O-N 3.37Å; D17-S20 PolarHBondContact O-OG 3.12Å
21	W	92.6	Very high	70.7	Confident	31 Å²	31	84.8 Å²	84.8	12%	0.117	44%	0.444	C	S	.	.			trans	-124.1	156.2	175.7	63.4	-93.6	0	0	0	111.7	D19 A23 R165 M168 H169 V321 L322	D19-W21 PolarHBondContact O-N 2.92Å; W21-A23 HydrophobicContact CZ3-CB 4.14Å; W21-R165 HydrophobicContact CH2-CB 4.04Å; W21-R165 HydrophobicContact CH2-CG 4.12Å; W21-R165 HydrophobicContact CZ2-CB 4.26Å; W21-R165 VanDerWaalsContact CZ2-O 3.27Å; W21-R165 WeakPolarHBondContact CZ2-O 3.46Å; W21-R165 HydrophobicContact CZ3-CG 4.48Å; W21-M168 HydrophobicContact CH2-CB 3.54Å; W21-M168 HydrophobicContact CH2-CE 3.8Å; W21-M168 HydrophobicContact CH2-CG 4.36Å; W21-M168 HydrophobicContact CH2-SD 3.95Å; W21-M168 HydrophobicContact CZ2-CB 3.99Å; W21-M168 HydrophobicContact CZ3-CE 3.85Å; W21-M168 HydrophobicContact CZ3-SD 4.46Å; W21-H169 HydrophobicContact CZ2-CB 4Å; W21-H169 AromaticContact NE1-CD2 3.6Å; W21-V321 HydrophobicContact CD2-CG1 4.21Å; W21-V321 HydrophobicContact CE3-CB 4.17Å; W21-V321 HydrophobicContact CE3-CG1 4.08Å; W21-V321 HydrophobicContact CE3-CG2 4.1Å; W21-V321 HydrophobicContact CH2-CG1 3.87Å; W21-V321 HydrophobicContact CH2-CG2 4.37Å; W21-V321 HydrophobicContact CZ2-CG1 3.94Å; W21-V321 HydrophobicContact CZ3-CB 4.21Å; W21-V321 HydrophobicContact CZ3-CG1 3.93Å; W21-V321 HydrophobicContact CZ3-CG2 3.79Å; W21-L322 VanDerWaalsContact CD1-CD2 3.46Å; W21-L322 HydrophobicContact CG-CD2 4.39Å
22	V	92.9	Very high	73.6	Confident	47 Å²	47	76.7 Å²	76.7	29%	0.285	42%	0.423	S	S	.	.			trans	-134.8	134.3	178	179.3	0	0	0	0	108.6	F24 G157	V22-F24 HydrophobicContact CB-CE2 3.89Å; V22-F24 HydrophobicContact CB-CZ 4.09Å; V22-F24 HydrophobicContact CG1-CD2 4.41Å; V22-F24 HydrophobicContact CG1-CE1 4.14Å; V22-F24 HydrophobicContact CG1-CE2 3.88Å; V22-F24 HydrophobicContact CG1-CZ 3.73Å; V22-G157 VanDerWaalsContact CG1-CA 3.41Å
23	A	94.4	Very high	76.4	Confident	5 Å²	5	69.2 Å²	69.2	4%	0.041	40%	0.4	C	S	.	.			trans	-86	123	174.8	0	0	0	0	0	110.1	W21 F160 M168 R319 V321	W21-A23 HydrophobicContact CZ3-CB 4.14Å; A23-F160 HydrophobicContact CB-CD2 3.94Å; A23-F160 HydrophobicContact CB-CE2 3.91Å; A23-M168 HydrophobicContact CB-CE 3.86Å; A23-R319 WeakPolarHBondContact CA-O 3.26Å; A23-V321 HydrophobicContact CB-CG2 3.97Å
24	F	95.1	Very high	79.3	Confident	80 Å²	80	73.7 Å²	73.7	35%	0.351	41%	0.411	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	139	175.9	-68	-77.9	0	0	0	110.9	V22 Y318 R319	V22-F24 HydrophobicContact CB-CE2 3.89Å; V22-F24 HydrophobicContact CB-CZ 4.09Å; V22-F24 HydrophobicContact CG1-CD2 4.41Å; V22-F24 HydrophobicContact CG1-CE1 4.14Å; V22-F24 HydrophobicContact CG1-CE2 3.88Å; V22-F24 HydrophobicContact CG1-CZ 3.73Å; F24-Y318 CarbonylContact O-C 3.52Å; F24-Y318 VanDerWaalsContact O-CA 3.22Å; F24-Y318 WeakPolarHBondContact O-CA 3.47Å; F24-R319 HydrophobicContact CB-CG 4.18Å; F24-R319 PolarHBondContact N-O 3.48Å; F24-R319 PolarHBondContact O-N 2.83Å
25	P	96.4	Very high	81.9	Confident	17 Å²	17	69.8 Å²	69.8	11%	0.11	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.5	143.8	176.8	31.3	-36.4	0	0	0	110.3	L27 A154 L155 V317 Y318	P25-L27 HydrophobicContact CB-CD2 4.24Å; P25-L27 HydrophobicContact CG-CD2 4.13Å; P25-L27 PolarHBondContact O-N 3.05Å; P25-A154 HydrophobicContact CB-CB 4.25Å; P25-A154 WeakPolarHBondContact CD-O 3.32Å; P25-A154 HydrophobicContact CG-CB 3.67Å; P25-L155 HydrophobicContact CG-CD2 4.29Å; P25-L155 HydrophobicContact CG-CG 4.5Å; P25-V317 CarbonylContact C-O 3.42Å; P25-V317 WeakPolarHBondContact CA-O 3.33Å; P25-Y318 HydrophobicContact CB-CD1 4.23Å; P25-Y318 HydrophobicContact CB-CE1 4.12Å
26	V	96.8	Very high	84.7	Confident	9 Å²	9	64.4 Å²	64.4	6%	0.055	36%	0.36	C	S	.	.			trans	-91.1	102.9	165.6	-171.6	0	0	0	0	109.1	Y290 L299 H306 V317 R319	V26-Y290 HydrophobicContact CG2-CE1 3.94Å; V26-L299 WeakPolarHBondContact CG1-O 3.14Å; V26-H306 PolarHBondContact O-NE2 3.31Å; V26-V317 HydrophobicContact CB-CB 4.16Å; V26-V317 HydrophobicContact CB-CG1 4.06Å; V26-V317 HydrophobicContact CG2-CB 4.31Å; V26-V317 HydrophobicContact CG2-CG1 3.7Å; V26-V317 PolarHBondContact N-O 3.21Å; V26-R319 HydrophobicContact CG2-CB 4.19Å; V26-R319 HydrophobicContact CG2-CG 4.32Å
27	L	94.8	Very high	87.5	Confident	22 Å²	22	63.1 Å²	63.1	12%	0.115	35%	0.348	C	S	.	.			trans	-73.5	153	-178.8	-60.9	-175	0	0	0	112.5	P25 Q31 T130 V151 L155 K304	P25-L27 HydrophobicContact CB-CD2 4.24Å; P25-L27 HydrophobicContact CG-CD2 4.13Å; P25-L27 PolarHBondContact O-N 3.05Å; L27-Q31 HydrophobicContact CB-CB 3.8Å; L27-Q31 HydrophobicContact CD1-CB 4.18Å; L27-Q31 HydrophobicContact CG-CB 4.4Å; L27-T130 HydrophobicContact CD1-CG2 4.08Å; L27-V151 HydrophobicContact CD2-CG1 3.94Å; L27-L155 HydrophobicContact CD1-CD1 4.27Å; L27-L155 HydrophobicContact CD1-CD2 3.89Å; L27-L155 HydrophobicContact CD1-CG 4.47Å; L27-L155 HydrophobicContact CG-CD2 4.48Å; L27-K304 VanDerWaalsContact O-CD 3.23Å; L27-K304 WeakPolarHBondContact O-CD 3.35Å; L27-K304 WeakPolarHBondContact O-CE 3.49Å; L27-K304 PolarHBondContact O-NZ 3.35Å
28	S	94.1	Very high	89.7	Confident	18 Å²	18	59.3 Å²	59.3	13%	0.126	33%	0.329	C	S	.	.			trans	-61.4	163.4	170.5	74.5	0	0	0	0	111.7	E30 Q31 S32	S28-E30 VanDerWaalsContact C-N 3.26Å; S28-E30 PolarHBondContact O-N 3.21Å; S28-Q31 VanDerWaalsContact N-OE1 3.13Å; S28-Q31 PolarHBondContact O-N 3.3Å; S28-Q31 VanDerWaalsContact O-N 3.14Å; S28-Q31 WeakPolarHBondContact OG-CG 3.26Å; S28-Q31 PolarHBondContact OG-N 3.26Å; S28-Q31 PolarHBondContact OG-OE1 3.01Å; S28-S32 PolarHBondContact O-N 2.93Å; S28-S32 PolarHBondContact O-OG 3.34Å
29	D	92.8	Very high	92	Very high	95 Å²	95	58.1 Å²	58.1	51%	0.508	32%	0.319	S	S	.	.	H	α-helix	trans	-58.4	-40.2	176.3	-65	-35	0	0	0	111.9	Q31 S32 A33 K304	D29-Q31 VanDerWaalsContact C-N 3.32Å; D29-Q31 PolarHBondContact O-N 2.85Å; D29-S32 PolarHBondContact O-N 3.14Å; D29-S32 PolarHBondContact O-OG 3.18Å; D29-A33 WeakPolarHBondContact O-CB 3.27Å; D29-A33 PolarHBondContact O-N 2.83Å; D29-K304 VanDerWaalsContact OD1-CD 3.31Å; D29-K304 WeakPolarHBondContact OD1-CD 3.35Å; D29-K304 VanDerWaalsContact OD1-CE 3.28Å; D29-K304 WeakPolarHBondContact OD1-CE 3.13Å; D29-K304 IonicContact OD1-NZ 3.18Å; D29-K304 PolarHBondContact OD1-NZ 2.86Å
30	E	91.9	Very high	93.7	Very high	89 Å²	89	53.6 Å²	53.6	42%	0.416	30%	0.295	S	S	.	.	H	α-helix	trans	-62.5	-38.1	176.6	-62	176.3	174	0	0	112.2	S28 L129 Q133 K309	S28-E30 VanDerWaalsContact C-N 3.26Å; S28-E30 PolarHBondContact O-N 3.21Å; E30-L129 HydrophobicContact CB-CD1 3.65Å; E30-Q133 PolarHBondContact O-NE2 3.34Å; E30-K309 IonicContact OE1-NZ 3.36Å; E30-K309 PolarHBondContact OE1-NZ 3.4Å; E30-K309 IonicContact OE2-NZ 2.69Å; E30-K309 PolarHBondContact OE2-NZ 3.27Å
31	Q	92.6	Very high	94.4	Very high	48 Å²	48	50 Å²	50	22%	0.224	27%	0.27	C	S	.	.	H	α-helix	trans	-78.2	-28.2	-179.7	-73.9	175.5	-45	0	0	113.2	L27 S28 D29 L129 T130 Q133	L27-Q31 HydrophobicContact CB-CB 3.8Å; L27-Q31 HydrophobicContact CD1-CB 4.18Å; L27-Q31 HydrophobicContact CG-CB 4.4Å; S28-Q31 VanDerWaalsContact N-OE1 3.13Å; S28-Q31 PolarHBondContact O-N 3.3Å; S28-Q31 VanDerWaalsContact O-N 3.14Å; S28-Q31 WeakPolarHBondContact OG-CG 3.26Å; S28-Q31 PolarHBondContact OG-N 3.26Å; S28-Q31 PolarHBondContact OG-OE1 3.01Å; D29-Q31 VanDerWaalsContact C-N 3.32Å; D29-Q31 PolarHBondContact O-N 2.85Å; Q31-L129 HydrophobicContact CG-CB 3.91Å; Q31-L129 HydrophobicContact CG-CD1 3.91Å; Q31-T130 HydrophobicContact CB-CG2 4.08Å; Q31-T130 HydrophobicContact CG-CG2 4.47Å; Q31-T130 WeakPolarHBondContact O-CG2 3.47Å; Q31-Q133 PolarHBondContact O-NE2 3.23Å
32	S	91.7	Very high	94.6	Very high	66 Å²	66	48.6 Å²	48.6	46%	0.462	27%	0.265	S	S	.	.	H	α-helix	trans	-96.1	-9.2	178.7	62.7	0	0	0	0	114.2	S28 D29 K304	S28-S32 PolarHBondContact O-N 2.93Å; S28-S32 PolarHBondContact O-OG 3.34Å; D29-S32 PolarHBondContact O-N 3.14Å; D29-S32 PolarHBondContact O-OG 3.18Å; S32-K304 PolarHBondContact OG-NZ 3.08Å
33	A	92.1	Very high	94.7	Very high	48 Å²	48	46.3 Å²	46.3	40%	0.397	25%	0.251	S	S	.	.	S	Bend	trans	-67.6	152	-179.5	0	0	0	0	0	112	D29 Q133	D29-A33 WeakPolarHBondContact O-CB 3.27Å; D29-A33 PolarHBondContact O-N 2.83Å; A33-Q133 PolarHBondContact O-NE2 2.84Å
34	D	93.2	Very high	94.7	Very high	148 Å²	148	46.7 Å²	46.7	79%	0.791	25%	0.253	S	S	*	.			trans	-62.7	157.3	168	-69.9	-35.1	0	0	0	111.3	E36	D34-E36 PolarHBondContact O-N 2.8Å
35	V	94.7	Very high	94.7	Very high	34 Å²	34	42.9 Å²	42.9	21%	0.206	24%	0.236	C	C	.	.			trans	-71.6	101.6	176	-178.1	0	0	0	0	109.4	L37 P124 Q133 L136 A137	V35-L37 HydrophobicContact CG1-CD2 3.95Å; V35-P124 HydrophobicContact CG1-CB 4.05Å; V35-P124 HydrophobicContact CG1-CG 4.38Å; V35-Q133 HydrophobicContact CG2-CB 4.14Å; V35-Q133 HydrophobicContact CG2-CG 4.34Å; V35-Q133 WeakPolarHBondContact CG2-O 3.45Å; V35-L136 HydrophobicContact CG2-CB 3.84Å; V35-L136 HydrophobicContact CG2-CD1 4.48Å; V35-A137 HydrophobicContact CG1-CB 3.98Å; V35-A137 HydrophobicContact CG2-CB 4.39Å
36	E	95.6	Very high	94.5	Very high	100 Å²	100	46.4 Å²	46.4	47%	0.467	26%	0.257	S	S	.	.			trans	-63.5	135.2	171.1	-173.2	178	-166.4	0	0	110.3	D34 A125 R126	D34-E36 PolarHBondContact O-N 2.8Å; E36-A125 HydrophobicContact CB-CB 4.06Å; E36-A125 HydrophobicContact CG-CB 3.85Å; E36-A125 WeakPolarHBondContact O-CB 3.17Å; E36-A125 PolarHBondContact O-N 2.86Å; E36-R126 IonicContact OE2-CZ 2.68Å; E36-R126 IonicContact OE2-NE 2.7Å; E36-R126 PolarHBondContact OE2-NE 3.47Å; E36-R126 IonicContact OE2-NH2 3.1Å; E36-R126 PolarHBondContact OE2-NH2 3.41Å
37	L	96.6	Very high	94.1	Very high	56 Å²	56	49.8 Å²	49.8	29%	0.293	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	139.4	-178.3	-57.4	178.7	0	0	0	110.8	V35 K122 V123 P124 R140	V35-L37 HydrophobicContact CG1-CD2 3.95Å; L37-K122 HydrophobicContact CB-CB 4.22Å; L37-K122 HydrophobicContact CD1-CB 4.11Å; L37-K122 HydrophobicContact CD1-CD 4.4Å; L37-V123 WeakPolarHBondContact CA-O 3.15Å; L37-P124 HydrophobicContact CD2-CG 4.45Å; L37-R140 HydrophobicContact CD1-CG 4.06Å; L37-R140 HydrophobicContact CD2-CB 4.2Å; L37-R140 HydrophobicContact CD2-CG 3.82Å
38	V	96.3	Very high	93.7	Very high	46 Å²	46	57 Å²	57	28%	0.279	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	150.6	171.7	-71.5	0	0	0	0	110.2	L67 L91 K122 V123 A125	V38-L67 HydrophobicContact CG2-CD1 4.49Å; V38-L91 HydrophobicContact CB-CD2 4.44Å; V38-L91 HydrophobicContact CG2-CD2 3.87Å; V38-K122 WeakPolarHBondContact O-CA 3.38Å; V38-V123 HydrophobicContact CG2-CG2 3.77Å; V38-V123 PolarHBondContact N-O 3.28Å; V38-V123 PolarHBondContact O-N 2.77Å; V38-A125 HydrophobicContact CB-CB 4.47Å; V38-A125 HydrophobicContact CG1-CB 3.72Å; V38-A125 HydrophobicContact CG2-CB 4.15Å
39	E	96.5	Very high	93.5	Very high	90 Å²	90	65.6 Å²	65.6	42%	0.421	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	136.4	178.9	-63.5	-172.3	140.9	0	0	110.9	L92 V120 V121 K122	E39-L92 HydrophobicContact CB-CB 4.28Å; E39-L92 HydrophobicContact CB-CD1 4.08Å; E39-L92 HydrophobicContact CB-CD2 3.85Å; E39-L92 HydrophobicContact CB-CG 4.29Å; E39-L92 PolarHBondContact O-N 2.9Å; E39-V120 HydrophobicContact CB-CG1 4.15Å; E39-V120 HydrophobicContact CG-CG1 4.45Å; E39-V121 WeakPolarHBondContact CA-O 3.37Å; E39-K122 HydrophobicContact CG-CG 4.14Å; E39-K122 WeakPolarHBondContact OE1-CE 3.17Å; E39-K122 IonicContact OE1-NZ 3.75Å
40	A	95.8	Very high	93.4	Very high	0 Å²	0	61.3 Å²	61.3	0%	0	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	152.4	-179.8	0	0	0	0	0	110.4	L88 C90 L91 L92 V121 V123	A40-L88 HydrophobicContact CB-CD1 3.62Å; A40-L88 HydrophobicContact CB-CG 4.36Å; A40-C90 CarbonylContact C-O 3.54Å; A40-C90 VanDerWaalsContact CA-O 3.3Å; A40-C90 WeakPolarHBondContact CA-O 3.39Å; A40-C90 WeakPolarHBondContact CB-O 3.36Å; A40-L91 HydrophobicContact CB-CD2 4.01Å; A40-L92 VanDerWaalsContact C-CD1 3.41Å; A40-V121 HydrophobicContact CB-CG2 4.36Å; A40-V121 PolarHBondContact N-O 2.88Å; A40-V121 WeakPolarHBondContact O-CG2 3.3Å; A40-V121 PolarHBondContact O-N 2.82Å; A40-V123 HydrophobicContact CB-CG2 4.27Å
41	F	96.1	Very high	93.5	Very high	2 Å²	2	58.2 Å²	58.2	1%	0.009	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82	135.1	168.6	-73.2	-73.8	0	0	0	109.8	L89 C90 L92 V95 A101 L106 P118 F119 V120	F41-L89 HydrophobicContact CB-CB 4.21Å; F41-L89 HydrophobicContact CB-CD1 4.42Å; F41-L89 WeakPolarHBondContact O-CB 3.46Å; F41-L89 PolarHBondContact O-N 3.14Å; F41-C90 PolarHBondContact N-O 3.41Å; F41-L92 HydrophobicContact CD1-CD1 4.34Å; F41-L92 HydrophobicContact CD2-CD1 3.54Å; F41-L92 HydrophobicContact CD2-CG 4.11Å; F41-L92 HydrophobicContact CE1-CD1 4.34Å; F41-L92 HydrophobicContact CE2-CD1 3.55Å; F41-L92 HydrophobicContact CE2-CG 3.62Å; F41-L92 HydrophobicContact CG-CD1 3.96Å; F41-L92 HydrophobicContact CZ-CD1 3.97Å; F41-L92 HydrophobicContact CZ-CG 4.01Å; F41-V95 HydrophobicContact CD2-CG2 4.15Å; F41-V95 HydrophobicContact CE2-CG2 4.08Å; F41-A101 HydrophobicContact CD1-CB 4.42Å; F41-A101 HydrophobicContact CE1-CB 3.66Å; F41-A101 HydrophobicContact CZ-CB 4.33Å; F41-L106 HydrophobicContact CB-CD1 4.03Å; F41-L106 HydrophobicContact CD1-CD1 3.92Å; F41-L106 HydrophobicContact CD1-CD2 4.47Å; F41-L106 HydrophobicContact CD2-CD1 4.18Å; F41-L106 HydrophobicContact CD2-CD2 3.58Å; F41-L106 HydrophobicContact CE1-CD1 4.43Å; F41-L106 HydrophobicContact CE1-CD2 4.46Å; F41-L106 HydrophobicContact CE2-CD2 3.56Å; F41-L106 HydrophobicContact CG-CD1 3.78Å; F41-L106 HydrophobicContact CG-CD2 4.05Å; F41-L106 HydrophobicContact CZ-CD2 4.03Å; F41-P118 HydrophobicContact CD1-CB 4.45Å; F41-F119 WeakPolarHBondContact CA-O 3.39Å; F41-V120 HydrophobicContact CD1-CG2 4.12Å; F41-V120 HydrophobicContact CE1-CG2 3.74Å; F41-V120 HydrophobicContact CZ-CG2 4.41Å
42	A	96.1	Very high	93.5	Very high	0 Å²	0	60.8 Å²	60.8	0%	0	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	160.4	167.8	0	0	0	0	0	109.4	V87 L88 P118 F119 V121 W141	A42-V87 CarbonylContact C-O 3.49Å; A42-V87 WeakPolarHBondContact CA-O 3.49Å; A42-V87 WeakPolarHBondContact CB-O 3.46Å; A42-L88 HydrophobicContact CB-CD1 4.35Å; A42-P118 CarbonylContact O-C 3.23Å; A42-P118 VanDerWaalsContact O-CA 3.22Å; A42-P118 WeakPolarHBondContact O-CA 3.28Å; A42-F119 HydrophobicContact CB-CE1 4.15Å; A42-F119 HydrophobicContact CB-CE2 4.19Å; A42-F119 HydrophobicContact CB-CZ 3.87Å; A42-F119 PolarHBondContact N-O 3.39Å; A42-F119 VanDerWaalsContact O-CD1 3.31Å; A42-F119 WeakPolarHBondContact O-CD1 3.31Å; A42-F119 PolarHBondContact O-N 3.12Å; A42-V121 HydrophobicContact CB-CG1 4.15Å; A42-V121 HydrophobicContact CB-CG2 3.85Å; A42-W141 HydrophobicContact CB-CH2 3.86Å; A42-W141 HydrophobicContact CB-CZ3 4.05Å
43	A	95.4	Very high	93.7	Very high	0 Å²	0	61.2 Å²	61.2	0%	0	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	151.2	173.6	0	0	0	0	0	111.3	E86 V87 L89 L115 P118	A43-E86 CarbonylContact O-C 3.59Å; A43-E86 WeakPolarHBondContact O-CA 3.5Å; A43-V87 PolarHBondContact N-O 3.27Å; A43-V87 PolarHBondContact O-N 3.25Å; A43-L89 HydrophobicContact CB-CD1 3.9Å; A43-L89 HydrophobicContact CB-CD2 4.23Å; A43-L89 HydrophobicContact CB-CG 4.24Å; A43-L115 HydrophobicContact CB-CD2 4.31Å; A43-P118 HydrophobicContact CB-CG 4.47Å
44	P	95.3	Very high	93.8	Very high	13 Å²	13	58.9 Å²	58.9	8%	0.084	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-58.7	143.8	167.1	-25.8	37.4	0	0	0	112.5	H83 L115 G116 E117 F119	P44-H83 HydrophobicContact CB-CB 4.3Å; P44-L115 CarbonylContact O-C 3.59Å; P44-L115 WeakPolarHBondContact O-CA 3.35Å; P44-G116 PolarHBondContact O-N 3.23Å; P44-E117 WeakPolarHBondContact CD-O 3.4Å; P44-F119 HydrophobicContact CG-CE1 4.4Å
45	I	94.4	Very high	93.8	Very high	0 Å²	0	53.5 Å²	53.5	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	100.7	163.3	-58.1	171.7	0	0	0	107.8	N47 T51 L54 V73 L85 V87 G114 L115	I45-N47 VanDerWaalsContact CG2-O 3.32Å; I45-N47 WeakPolarHBondContact CG2-O 3.37Å; I45-T51 HydrophobicContact CD1-CG2 3.88Å; I45-L54 HydrophobicContact CG1-CD1 4.38Å; I45-L54 HydrophobicContact CG2-CD1 4.17Å; I45-V73 HydrophobicContact CD1-CG1 4.27Å; I45-V73 HydrophobicContact CD1-CG2 4.42Å; I45-L85 HydrophobicContact CB-CB 4.18Å; I45-L85 HydrophobicContact CD1-CB 4.05Å; I45-L85 HydrophobicContact CG1-CB 4.47Å; I45-L85 PolarHBondContact N-O 3.26Å; I45-V87 HydrophobicContact CD1-CB 3.9Å; I45-V87 HydrophobicContact CD1-CG1 4.18Å; I45-V87 HydrophobicContact CG1-CB 4.02Å; I45-V87 HydrophobicContact CG1-CG1 3.78Å; I45-G114 CarbonylContact C-O 3.23Å; I45-G114 WeakPolarHBondContact CA-O 3.11Å; I45-L115 HydrophobicContact CG1-CD2 4.48Å
46	V	91.6	Very high	93.8	Very high	91 Å²	91	60.2 Å²	60.2	55%	0.552	29%	0.291	S	S	*	.	S	Bend	trans	-72.8	-37.3	179.5	-171.8	0	0	0	0	110.9	G114	V46-G114 PolarHBondContact N-O 3.14Å
47	N	88.6	Confident	93.7	Very high	80 Å²	80	58.3 Å²	58.3	43%	0.428	28%	0.282	S	S	.	.			trans	-107.3	99.3	175.7	-176.9	-2.6	0	0	0	111.4	I45 K49 A50 G114	I45-N47 VanDerWaalsContact CG2-O 3.32Å; I45-N47 WeakPolarHBondContact CG2-O 3.37Å; N47-K49 PolarHBondContact O-N 3.09Å; N47-K49 VanDerWaalsContact O-N 3.09Å; N47-K49 WeakPolarHBondContact OD1-CB 3.46Å; N47-K49 PolarHBondContact OD1-N 3.43Å; N47-K49 VanDerWaalsContact OD1-N 3.1Å; N47-A50 HydrophobicContact CB-CB 4.39Å; N47-A50 WeakPolarHBondContact O-CB 3.5Å; N47-A50 PolarHBondContact O-N 3.39Å; N47-G114 PolarHBondContact N-O 3.28Å
48	R	86.2	Confident	93.6	Very high	174 Å²	174	55.6 Å²	55.6	66%	0.657	27%	0.268	S	S	*	.	G	3₁₀ helix	trans	-56.3	-30	-179	-170.8	176.5	179.6	-177.6	0.7	113.8	A50 T51 L85	R48-A50 PolarHBondContact O-N 2.85Å; R48-T51 WeakPolarHBondContact O-CB 3.41Å; R48-T51 PolarHBondContact O-N 2.97Å; R48-T51 PolarHBondContact O-OG1 3.37Å; R48-L85 HydrophobicContact CG-CD1 4.17Å
49	K	90.1	Very high	93.4	Very high	197 Å²	197	57 Å²	57	86%	0.857	27%	0.274	S	S	*	.	G	3₁₀ helix	trans	-66	-21.7	177.9	-62.5	-178.4	-179.8	177.9	0	112.4	N47	N47-K49 PolarHBondContact O-N 3.09Å; N47-K49 VanDerWaalsContact O-N 3.09Å; N47-K49 WeakPolarHBondContact OD1-CB 3.46Å; N47-K49 PolarHBondContact OD1-N 3.43Å; N47-K49 VanDerWaalsContact OD1-N 3.1Å
50	A	90.9	Very high	93.2	Very high	6 Å²	6	55.9 Å²	55.9	5%	0.05	29%	0.286	C	S	.	.	G	3₁₀ helix	trans	-83.9	-8.8	179.2	0	0	0	0	0	113.9	N47 R48 S52 R53 L54	N47-A50 HydrophobicContact CB-CB 4.39Å; N47-A50 WeakPolarHBondContact O-CB 3.5Å; N47-A50 PolarHBondContact O-N 3.39Å; R48-A50 PolarHBondContact O-N 2.85Å; A50-S52 PolarHBondContact O-N 2.71Å; A50-R53 WeakPolarHBondContact O-CB 3.18Å; A50-R53 PolarHBondContact O-N 3.49Å; A50-R53 VanDerWaalsContact O-N 3.11Å; A50-L54 HydrophobicContact CB-CD1 3.95Å; A50-L54 HydrophobicContact CB-CG 4.21Å; A50-L54 WeakPolarHBondContact O-CG 3.31Å; A50-L54 PolarHBondContact O-N 2.9Å
51	T	92.9	Very high	93	Very high	23 Å²	23	58.5 Å²	58.5	14%	0.141	30%	0.302	C	S	.	.	H	α-helix	trans	-50.8	-52.9	-171.3	-53.3	0	0	0	0	113.5	I45 R48 R53 L54 V55 V73 L85	I45-T51 HydrophobicContact CD1-CG2 3.88Å; R48-T51 WeakPolarHBondContact O-CB 3.41Å; R48-T51 PolarHBondContact O-N 2.97Å; R48-T51 PolarHBondContact O-OG1 3.37Å; T51-R53 VanDerWaalsContact C-N 3.33Å; T51-R53 PolarHBondContact O-N 3.4Å; T51-L54 PolarHBondContact O-N 2.92Å; T51-V55 WeakPolarHBondContact O-CG2 3.22Å; T51-V55 PolarHBondContact O-N 2.77Å; T51-V73 HydrophobicContact CG2-CG2 4.3Å; T51-L85 HydrophobicContact CG2-CD1 4.23Å
52	S	94	Very high	92.8	Very high	103 Å²	103	60.7 Å²	60.7	72%	0.72	31%	0.31	S	S	*	.	H	α-helix	trans	-65.7	-35.8	-177	-53.4	0	0	0	0	112.7	A50 R56	A50-S52 PolarHBondContact O-N 2.71Å; S52-R56 WeakPolarHBondContact O-CB 3.13Å; S52-R56 PolarHBondContact O-N 2.87Å
53	R	94.7	Very high	92.5	Very high	74 Å²	74	64.1 Å²	64.1	28%	0.279	33%	0.333	S	S	.	.	H	α-helix	trans	-64.3	-52.6	174.6	-179.9	-171.6	71.3	-173	-0.6	110.1	A50 T51 V55 R56 E57 E113	A50-R53 WeakPolarHBondContact O-CB 3.18Å; A50-R53 PolarHBondContact O-N 3.49Å; A50-R53 VanDerWaalsContact O-N 3.11Å; T51-R53 VanDerWaalsContact C-N 3.33Å; T51-R53 PolarHBondContact O-N 3.4Å; R53-V55 PolarHBondContact O-N 2.85Å; R53-R56 WeakPolarHBondContact O-CB 3.44Å; R53-R56 PolarHBondContact O-N 2.86Å; R53-R56 VanDerWaalsContact O-N 3.13Å; R53-E57 WeakPolarHBondContact CD-OE1 3.48Å; R53-E57 HydrophobicContact CG-CG 4.45Å; R53-E57 WeakPolarHBondContact CG-OE1 3.39Å; R53-E57 PolarHBondContact O-N 2.85Å; R53-E113 PolarHBondContact NH2-O 2.91Å
54	L	94.3	Very high	92.2	Very high	0 Å²	0	65.5 Å²	65.5	0%	0	34%	0.34	C	S	.	.	H	α-helix	trans	-57.4	-46.8	-179	-71.1	169.7	0	0	0	111.4	I45 A50 T51 R56 E57 L58 W112 L115	I45-L54 HydrophobicContact CG1-CD1 4.38Å; I45-L54 HydrophobicContact CG2-CD1 4.17Å; A50-L54 HydrophobicContact CB-CD1 3.95Å; A50-L54 HydrophobicContact CB-CG 4.21Å; A50-L54 WeakPolarHBondContact O-CG 3.31Å; A50-L54 PolarHBondContact O-N 2.9Å; T51-L54 PolarHBondContact O-N 2.92Å; L54-R56 VanDerWaalsContact C-N 3.33Å; L54-R56 PolarHBondContact O-N 2.88Å; L54-E57 PolarHBondContact O-N 2.77Å; L54-L58 WeakPolarHBondContact O-CB 3.5Å; L54-L58 WeakPolarHBondContact O-CG 3.46Å; L54-L58 PolarHBondContact O-N 3.09Å; L54-W112 HydrophobicContact CD2-CE3 4.15Å; L54-L115 HydrophobicContact CD1-CD2 3.8Å; L54-L115 HydrophobicContact CD1-CG 4.17Å; L54-L115 HydrophobicContact CD2-CD1 4.21Å; L54-L115 HydrophobicContact CD2-CD2 4.27Å; L54-L115 HydrophobicContact CD2-CG 3.91Å
55	V	94.7	Very high	91.9	Very high	35 Å²	35	70 Å²	70	21%	0.212	37%	0.368	C	S	.	.	H	α-helix	trans	-60.3	-42.4	177.4	171	0	0	0	0	111.7	T51 R53 N59 R72 V73	T51-V55 WeakPolarHBondContact O-CG2 3.22Å; T51-V55 PolarHBondContact O-N 2.77Å; R53-V55 PolarHBondContact O-N 2.85Å; V55-N59 WeakPolarHBondContact O-CB 3.39Å; V55-N59 PolarHBondContact O-N 3.1Å; V55-N59 PolarHBondContact O-ND2 3.15Å; V55-R72 HydrophobicContact CG1-CG 4.39Å; V55-R72 HydrophobicContact CG2-CG 4.38Å; V55-V73 HydrophobicContact CG2-CG2 3.49Å; V55-V73 VanDerWaalsContact CG2-CG2 3.49Å
56	R	94.3	Very high	91.7	Very high	175 Å²	175	72.2 Å²	72.2	66%	0.66	39%	0.39	S	S	*	.	H	α-helix	trans	-64.6	-46.8	179.1	-176.6	-179.4	65.3	-174.4	0.7	111.8	S52 R53 L54 N59 G60	S52-R56 WeakPolarHBondContact O-CB 3.13Å; S52-R56 PolarHBondContact O-N 2.87Å; R53-R56 WeakPolarHBondContact O-CB 3.44Å; R53-R56 PolarHBondContact O-N 2.86Å; R53-R56 VanDerWaalsContact O-N 3.13Å; L54-R56 VanDerWaalsContact C-N 3.33Å; L54-R56 PolarHBondContact O-N 2.88Å; R56-N59 PolarHBondContact O-N 3.29Å; R56-G60 PolarHBondContact O-N 3.18Å
57	E	93.5	Very high	91.8	Very high	59 Å²	59	68.2 Å²	68.2	28%	0.276	37%	0.365	S	S	.	.	H	α-helix	trans	-66.6	-44.9	179.5	-72.2	170.5	-168.5	0	0	111.4	R53 L54 N59 G60 V61 W112	R53-E57 WeakPolarHBondContact CD-OE1 3.48Å; R53-E57 HydrophobicContact CG-CG 4.45Å; R53-E57 WeakPolarHBondContact CG-OE1 3.39Å; R53-E57 PolarHBondContact O-N 2.85Å; L54-E57 PolarHBondContact O-N 2.77Å; E57-N59 VanDerWaalsContact C-N 3.31Å; E57-N59 PolarHBondContact O-N 3.45Å; E57-G60 WeakPolarHBondContact O-CA 3.09Å; E57-G60 PolarHBondContact O-N 3.1Å; E57-V61 PolarHBondContact O-N 3.4Å; E57-V61 VanDerWaalsContact O-N 3.09Å; E57-W112 HydrophobicContact CB-CH2 3.98Å; E57-W112 HydrophobicContact CB-CZ3 3.8Å
58	L	94	Very high	92.1	Very high	0 Å²	0	71.1 Å²	71.1	0%	0	38%	0.376	C	S	.	.	H	α-helix	trans	-60.7	-37.7	175.9	-76.6	173.9	0	0	0	112.6	L54 G60 V61 Y62 R72 V87 L89 L107 W112	L54-L58 WeakPolarHBondContact O-CB 3.5Å; L54-L58 WeakPolarHBondContact O-CG 3.46Å; L54-L58 PolarHBondContact O-N 3.09Å; L58-G60 VanDerWaalsContact C-N 3.25Å; L58-G60 PolarHBondContact O-N 2.68Å; L58-V61 PolarHBondContact O-N 3.39Å; L58-Y62 CarbonylContact O-C 3.57Å; L58-Y62 VanDerWaalsContact O-C 3.23Å; L58-Y62 WeakPolarHBondContact O-CA 3.16Å; L58-Y62 PolarHBondContact O-N 3.45Å; L58-Y62 VanDerWaalsContact O-O 3.05Å; L58-R72 PolarHBondContact O-NH2 2.69Å; L58-V87 HydrophobicContact CD1-CG1 4.23Å; L58-V87 HydrophobicContact CD1-CG2 3.58Å; L58-L89 HydrophobicContact CD1-CD2 3.95Å; L58-L89 HydrophobicContact CD2-CD2 3.95Å; L58-L107 HydrophobicContact CD2-CD1 4Å; L58-L107 HydrophobicContact CD2-CD2 3.73Å; L58-W112 HydrophobicContact CD2-CH2 4.28Å; L58-W112 HydrophobicContact CD2-CZ3 3.88Å; L58-W112 HydrophobicContact CG-CZ3 3.99Å
59	N	92.8	Very high	92.5	Very high	76 Å²	76	63.4 Å²	63.4	41%	0.406	35%	0.348	S	S	.	.	H	α-helix	trans	-66.8	-27.1	173.4	-76.6	-19.7	0	0	0	112.9	V55 R56 E57 R72	V55-N59 WeakPolarHBondContact O-CB 3.39Å; V55-N59 PolarHBondContact O-N 3.1Å; V55-N59 PolarHBondContact O-ND2 3.15Å; R56-N59 PolarHBondContact O-N 3.29Å; E57-N59 VanDerWaalsContact C-N 3.31Å; E57-N59 PolarHBondContact O-N 3.45Å; N59-R72 PolarHBondContact OD1-NH1 2.91Å
60	G	91.1	Very high	92.8	Very high	66 Å²	66	54.4 Å²	54.4	68%	0.68	31%	0.309	S	S	*	.	H	α-helix	trans	-75.4	-34	175.4	0	0	0	0	0	113.2	R56 E57 L58	R56-G60 PolarHBondContact O-N 3.18Å; E57-G60 WeakPolarHBondContact O-CA 3.09Å; E57-G60 PolarHBondContact O-N 3.1Å; L58-G60 VanDerWaalsContact C-N 3.25Å; L58-G60 PolarHBondContact O-N 2.68Å
61	V	91.3	Very high	93.1	Very high	54 Å²	54	59 Å²	59	33%	0.327	33%	0.328	S	S	.	.	H	α-helix	trans	-89.3	-53.6	-179.1	-179.5	0	0	0	0	111.9	E57 L58 P63 P108 W112	E57-V61 PolarHBondContact O-N 3.4Å; E57-V61 VanDerWaalsContact O-N 3.09Å; L58-V61 PolarHBondContact O-N 3.39Å; V61-P63 WeakPolarHBondContact O-CD 3.41Å; V61-P108 HydrophobicContact CB-CG 4.33Å; V61-P108 HydrophobicContact CG1-CG 3.64Å; V61-P108 HydrophobicContact CG2-CG 3.66Å; V61-W112 HydrophobicContact CG2-CH2 4.05Å; V61-W112 HydrophobicContact CG2-CZ2 4.23Å
62	Y	91.9	Very high	93.3	Very high	48 Å²	48	58.9 Å²	58.9	19%	0.188	33%	0.325	C	S	.	.	S	Bend	trans	-125	79.6	-179.1	-67.5	-69.9	0	0	0	109.2	L58 R72 L89 C90 D94 L106 L107	L58-Y62 CarbonylContact O-C 3.57Å; L58-Y62 VanDerWaalsContact O-C 3.23Å; L58-Y62 WeakPolarHBondContact O-CA 3.16Å; L58-Y62 PolarHBondContact O-N 3.45Å; L58-Y62 VanDerWaalsContact O-O 3.05Å; Y62-R72 VanDerWaalsContact O-CZ 3.31Å; Y62-R72 PolarHBondContact O-NH1 3.15Å; Y62-R72 PolarHBondContact O-NH2 3.13Å; Y62-L89 WeakPolarHBondContact CB-O 3.15Å; Y62-C90 HydrophobicContact CD1-CB 3.74Å; Y62-C90 HydrophobicContact CD2-CB 3.7Å; Y62-C90 HydrophobicContact CE1-CB 4.08Å; Y62-C90 HydrophobicContact CE2-CB 4.05Å; Y62-C90 HydrophobicContact CG-CB 3.54Å; Y62-D94 HydrophobicContact CD1-CB 4.27Å; Y62-D94 HydrophobicContact CE1-CB 4.02Å; Y62-L106 WeakPolarHBondContact CE2-O 3.34Å; Y62-L106 PolarHBondContact OH-O 3.24Å; Y62-L107 HydrophobicContact CD2-CD2 3.88Å; Y62-L107 HydrophobicContact CE2-CD2 3.8Å
63	P	91.3	Very high	93.4	Very high	72 Å²	72	55.7 Å²	55.7	47%	0.468	30%	0.301	S	S	.	.			trans	-59.9	141.7	170.8	26.2	-33.4	0	0	0	109.8	V61 T65	V61-P63 WeakPolarHBondContact O-CD 3.41Å; P63-T65 PolarHBondContact O-N 3.25Å
64	L	89.4	Confident	93.3	Very high	29 Å²	29	53.3 Å²	53.3	15%	0.152	29%	0.292	C	S	.	.			trans	-75.7	53.5	175.4	-64	-173	0	0	0	111.6	G66 L67 Q68 L88	L64-G66 PolarHBondContact O-N 2.82Å; L64-L67 HydrophobicContact CB-CB 4.08Å; L64-L67 CarbonylContact O-C 3.47Å; L64-L67 WeakPolarHBondContact O-CA 3.17Å; L64-L67 PolarHBondContact O-N 3.2Å; L64-Q68 PolarHBondContact O-N 3.38Å; L64-L88 HydrophobicContact CD1-CD2 4.26Å; L64-L88 HydrophobicContact CD2-CD2 3.86Å
65	T	88.6	Confident	93.3	Very high	109 Å²	109	56.7 Å²	56.7	67%	0.669	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.8	121.1	-179.7	-56	0	0	0	0	109.4	P63 L67	P63-T65 PolarHBondContact O-N 3.25Å; T65-L67 VanDerWaalsContact C-N 3.25Å; T65-L67 PolarHBondContact O-N 3.44Å
66	G	89.3	Confident	93	Very high	45 Å²	45	56.1 Å²	56.1	46%	0.464	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	83	-5.9	-174.4	0	0	0	0	0	114.6	L64	L64-G66 PolarHBondContact O-N 2.82Å
67	L	94.8	Very high	92.3	Very high	7 Å²	7	55 Å²	55	4%	0.037	31%	0.313	C	S	.	.			trans	-121.6	30.2	177.7	-66	-177.5	0	0	0	112.4	V38 L64 T65 H69 V70 L91 V123 P124 A125	V38-L67 HydrophobicContact CG2-CD1 4.49Å; L64-L67 HydrophobicContact CB-CB 4.08Å; L64-L67 CarbonylContact O-C 3.47Å; L64-L67 WeakPolarHBondContact O-CA 3.17Å; L64-L67 PolarHBondContact O-N 3.2Å; T65-L67 VanDerWaalsContact C-N 3.25Å; T65-L67 PolarHBondContact O-N 3.44Å; L67-H69 PolarHBondContact O-N 2.93Å; L67-H69 VanDerWaalsContact O-N 3.11Å; L67-V70 HydrophobicContact CB-CB 4.41Å; L67-V70 HydrophobicContact CB-CG2 4.08Å; L67-V70 HydrophobicContact CD2-CG2 4.17Å; L67-V70 WeakPolarHBondContact O-CB 3.43Å; L67-V70 PolarHBondContact O-N 3.41Å; L67-L91 HydrophobicContact CD1-CD1 4.2Å; L67-L91 HydrophobicContact CD1-CD2 3.61Å; L67-L91 HydrophobicContact CD1-CG 4.16Å; L67-V123 HydrophobicContact CD1-CG2 4.24Å; L67-P124 WeakPolarHBondContact CD2-O 3.41Å; L67-A125 WeakPolarHBondContact CD2-O 3.48Å
68	Q	94	Very high	91.9	Very high	141 Å²	141	55.1 Å²	55.1	66%	0.659	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.2	-18.3	-177.7	-59	89.7	-11	0	0	113.2	L64 V70	L64-Q68 PolarHBondContact O-N 3.38Å; Q68-V70 VanDerWaalsContact C-N 3.32Å
69	H	95.3	Very high	90.9	Very high	13 Å²	13	64.5 Å²	64.5	6%	0.06	37%	0.368	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.8	-17.2	172.2	60	-74.9	0	0	0	113.4	L67 P124 R126 P127 T143 T144	L67-H69 PolarHBondContact O-N 2.93Å; L67-H69 VanDerWaalsContact O-N 3.11Å; H69-P124 PolarHBondContact NE2-O 3.02Å; H69-R126 VanDerWaalsContact CE1-C 3.42Å; H69-R126 PolarHBondContact NE2-O 3.09Å; H69-R126 VanDerWaalsContact NE2-O 3.16Å; H69-P127 HydrophobicContact CB-CB 3.92Å; H69-T143 CarbonylContact O-C 3.51Å; H69-T143 WeakPolarHBondContact O-CA 3.37Å; H69-T144 WeakPolarHBondContact CA-OG1 3.4Å; H69-T144 PolarHBondContact O-N 3.24Å; H69-T144 PolarHBondContact O-OG1 3.31Å
70	V	96.7	Very high	90.1	Very high	7 Å²	7	68.6 Å²	68.6	4%	0.042	39%	0.39	C	S	.	.	B	Isolated β-bridge	trans	-87.1	126	-179.6	-174.3	0	0	0	0	109.2	L67 Q68 R72 L88 V123 W141 T143	L67-V70 HydrophobicContact CB-CB 4.41Å; L67-V70 HydrophobicContact CB-CG2 4.08Å; L67-V70 HydrophobicContact CD2-CG2 4.17Å; L67-V70 WeakPolarHBondContact O-CB 3.43Å; L67-V70 PolarHBondContact O-N 3.41Å; Q68-V70 VanDerWaalsContact C-N 3.32Å; V70-R72 PolarHBondContact O-N 3.38Å; V70-L88 HydrophobicContact CG1-CD2 4.09Å; V70-V123 HydrophobicContact CG1-CB 4.34Å; V70-V123 HydrophobicContact CG1-CG1 4.45Å; V70-W141 HydrophobicContact CG1-CG 4.06Å; V70-T143 HydrophobicContact CG2-CG2 4.36Å
71	K	96.1	Very high	89.6	Confident	104 Å²	104	66.9 Å²	66.9	45%	0.452	37%	0.368	S	S	.	.			trans	-71.4	129.7	176.5	-64.2	-172.8	179	180	0	109.8	V73 W141 P142 T144	K71-V73 VanDerWaalsContact C-N 3.26Å; K71-V73 PolarHBondContact O-N 2.97Å; K71-W141 PolarHBondContact O-NE1 2.95Å; K71-P142 HydrophobicContact CB-CB 4.22Å; K71-P142 WeakPolarHBondContact CB-O 3.35Å; K71-P142 HydrophobicContact CD-CB 3.97Å; K71-P142 HydrophobicContact CG-CB 4.33Å; K71-P142 PolarHBondContact N-O 3.44Å; K71-T144 HydrophobicContact CG-CG2 4.37Å
72	R	96.5	Very high	89	Confident	19 Å²	19	70.4 Å²	70.4	7%	0.072	39%	0.392	C	S	.	.	S	Bend	trans	-60.6	-33.7	-178.6	-163.6	74.3	179.8	-139.5	24	113.4	V55 L58 N59 Y62 V70 V87 L88 L89	V55-R72 HydrophobicContact CG1-CG 4.39Å; V55-R72 HydrophobicContact CG2-CG 4.38Å; L58-R72 PolarHBondContact O-NH2 2.69Å; N59-R72 PolarHBondContact OD1-NH1 2.91Å; Y62-R72 VanDerWaalsContact O-CZ 3.31Å; Y62-R72 PolarHBondContact O-NH1 3.15Å; Y62-R72 PolarHBondContact O-NH2 3.13Å; V70-R72 PolarHBondContact O-N 3.38Å; R72-V87 HydrophobicContact CG-CG2 4.01Å; R72-V87 WeakPolarHBondContact O-CA 3.36Å; R72-L88 PolarHBondContact NE-O 3.03Å; R72-L88 PolarHBondContact NH2-O 2.8Å; R72-L88 PolarHBondContact O-N 2.93Å; R72-L89 PolarHBondContact NH2-O 2.97Å
73	V	96.1	Very high	88.6	Confident	36 Å²	36	69.8 Å²	69.8	22%	0.218	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	142.1	-175.6	179.9	0	0	0	0	110.1	I45 T51 V55 K71 L85 E86 V87	I45-V73 HydrophobicContact CD1-CG1 4.27Å; I45-V73 HydrophobicContact CD1-CG2 4.42Å; T51-V73 HydrophobicContact CG2-CG2 4.3Å; V55-V73 HydrophobicContact CG2-CG2 3.49Å; V55-V73 VanDerWaalsContact CG2-CG2 3.49Å; K71-V73 VanDerWaalsContact C-N 3.26Å; K71-V73 PolarHBondContact O-N 2.97Å; V73-L85 HydrophobicContact CG1-CB 4.18Å; V73-L85 HydrophobicContact CG1-CD1 4.28Å; V73-L85 HydrophobicContact CG1-CD2 4.16Å; V73-L85 HydrophobicContact CG1-CG 4.44Å; V73-E86 CarbonylContact C-O 3.59Å; V73-E86 WeakPolarHBondContact CA-O 3.39Å; V73-V87 HydrophobicContact CG2-CB 4.25Å; V73-V87 HydrophobicContact CG2-CG2 3.93Å
74	R	94.4	Very high	88.3	Confident	25 Å²	25	69.4 Å²	69.4	9%	0.094	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	161.4	170.5	70.3	175.8	-171	-169.5	0.9	111.6	L85 E86 R140 W141 P142	R74-L85 CarbonylContact O-C 3.54Å; R74-L85 WeakPolarHBondContact O-CA 3.34Å; R74-E86 HydrophobicContact CG-CB 4.01Å; R74-E86 IonicContact CZ-OE2 3.6Å; R74-E86 PolarHBondContact N-O 2.71Å; R74-E86 IonicContact NE-OE2 3.59Å; R74-E86 PolarHBondContact NE-OE2 3.28Å; R74-E86 IonicContact NH2-OE2 3.12Å; R74-E86 PolarHBondContact NH2-OE2 2.69Å; R74-E86 PolarHBondContact O-N 2.9Å; R74-R140 PolarHBondContact NH1-O 3.46Å; R74-W141 HydrophobicContact CB-CZ2 4.29Å; R74-W141 HydrophobicContact CG-CH2 3.78Å; R74-W141 HydrophobicContact CG-CZ2 3.76Å; R74-W141 HydrophobicContact CG-CZ3 4.28Å; R74-W141 VanDerWaalsContact CZ-CE3 3.46Å; R74-W141 VanDerWaalsContact NH1-CZ3 3.33Å; R74-P142 HydrophobicContact CB-CG 3.64Å
75	A	92.4	Very high	88.5	Confident	70 Å²	70	69.5 Å²	69.5	58%	0.579	39%	0.388	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-67.3	143.9	164.2	0	0	0	0	0	110	P84	A75-P84 WeakPolarHBondContact CA-O 3.2Å
76	C	89.1	Confident	88.9	Confident	24 Å²	24	65 Å²	65	16%	0.162	36%	0.359	C	S	.	.			trans	-60.4	143.9	172.6	-170.9	0	0	0	0	110	S81 H83 P84 E86	C76-S81 WeakPolarHBondContact SG-CB 3.46Å; C76-S81 PolarHBondContact SG-OG 2.78Å; C76-S81 VanDerWaalsContact SG-OG 3.4Å; C76-H83 WeakPolarHBondContact CB-O 3.44Å; C76-H83 VanDerWaalsContact SG-CE1 3.53Å; C76-P84 PolarHBondContact N-O 3.01Å; C76-E86 HydrophobicContact CB-CG 4.45Å; C76-E86 PolarHBondContact SG-OE1 3.25Å
77	R	80.3	Confident	89.2	Confident	151 Å²	151	62.8 Å²	62.8	57%	0.57	34%	0.337	S	S	*	.	S	Bend	trans	-81.6	-26.9	-177.8	-69.9	-175.7	175.8	-157.2	-7	113.6	C139 R140	R77-C139 PolarHBondContact NH2-O 3.48Å; R77-R140 PolarHBondContact NH2-O 3.15Å
78	A	84.4	Confident	89.3	Confident	61 Å²	61	62.5 Å²	62.5	50%	0.504	34%	0.336	S	S	.	.			trans	-83.3	121.8	179.9	0	0	0	0	0	109.4	D80 S81	A78-D80 PolarHBondContact O-N 3.13Å; A78-S81 WeakPolarHBondContact O-CB 3.32Å; A78-S81 PolarHBondContact O-N 3.2Å
79	E	72.3	Confident	89.4	Confident	197 Å²	197	55.8 Å²	55.8	92%	0.921	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.3	-32	-177.7	-69.5	-177.4	166.4	0	0	112.4
80	D	77.9	Confident	89.3	Confident	162 Å²	162	55.3 Å²	55.3	87%	0.866	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.8	15.3	-179.5	-59.7	-44.2	0	0	0	114	A78	A78-D80 PolarHBondContact O-N 3.13Å
81	S	78.6	Confident	89.1	Confident	31 Å²	31	56.7 Å²	56.7	22%	0.217	31%	0.309	C	S	.	.			trans	-66.9	137.6	-176.7	-177.9	0	0	0	0	112.3	C76 A78 H83	C76-S81 WeakPolarHBondContact SG-CB 3.46Å; C76-S81 PolarHBondContact SG-OG 2.78Å; C76-S81 VanDerWaalsContact SG-OG 3.4Å; A78-S81 WeakPolarHBondContact O-CB 3.32Å; A78-S81 PolarHBondContact O-N 3.2Å; S81-H83 PolarHBondContact O-N 3.41Å; S81-H83 VanDerWaalsContact O-N 3.13Å; S81-H83 PolarHBondContact OG-CD2 3.11Å; S81-H83 PolarHBondContact OG-CE1 3.42Å; S81-H83 PolarHBondContact OG-N 2.96Å; S81-H83 PolarHBondContact OG-ND1 3.41Å; S81-H83 PolarHBondContact OG-NE2 2.84Å; S81-H83 PolarHBondContact OG-O 3.33Å
82	P	79.7	Confident	89	Confident	128 Å²	128	53.2 Å²	53.2	83%	0.831	30%	0.295	S	S	*	.	S	Bend	trans	-67	-10.8	173.6	29.3	-35.6	0	0	0	113
83	H	82.8	Confident	88.6	Confident	35 Å²	35	57 Å²	57	16%	0.162	33%	0.325	C	S	.	.			trans	-123.3	128.1	178.6	52.9	79.2	0	0	0	111.6	P44 C76 S81 L85	P44-H83 HydrophobicContact CB-CB 4.3Å; C76-H83 WeakPolarHBondContact CB-O 3.44Å; C76-H83 VanDerWaalsContact SG-CE1 3.53Å; S81-H83 PolarHBondContact O-N 3.41Å; S81-H83 VanDerWaalsContact O-N 3.13Å; S81-H83 PolarHBondContact OG-CD2 3.11Å; S81-H83 PolarHBondContact OG-CE1 3.42Å; S81-H83 PolarHBondContact OG-N 2.96Å; S81-H83 PolarHBondContact OG-ND1 3.41Å; S81-H83 PolarHBondContact OG-NE2 2.84Å; S81-H83 PolarHBondContact OG-O 3.33Å; H83-L85 PolarHBondContact O-N 2.92Å
84	P	85.6	Confident	88.2	Confident	64 Å²	64	58.8 Å²	58.8	42%	0.416	33%	0.333	S	S	.	.	S	Bend	trans	-79.9	-17	-174.5	30.3	-34.9	0	0	0	113.8	A75 C76	A75-P84 WeakPolarHBondContact CA-O 3.2Å; C76-P84 PolarHBondContact N-O 3.01Å
85	L	94.6	Very high	87.8	Confident	31 Å²	31	58.1 Å²	58.1	16%	0.162	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	153.1	-170	-61.4	175.4	0	0	0	111.9	I45 R48 T51 V73 R74 H83	I45-L85 HydrophobicContact CB-CB 4.18Å; I45-L85 HydrophobicContact CD1-CB 4.05Å; I45-L85 HydrophobicContact CG1-CB 4.47Å; I45-L85 PolarHBondContact N-O 3.26Å; R48-L85 HydrophobicContact CG-CD1 4.17Å; T51-L85 HydrophobicContact CG2-CD1 4.23Å; V73-L85 HydrophobicContact CG1-CB 4.18Å; V73-L85 HydrophobicContact CG1-CD1 4.28Å; V73-L85 HydrophobicContact CG1-CD2 4.16Å; V73-L85 HydrophobicContact CG1-CG 4.44Å; R74-L85 CarbonylContact O-C 3.54Å; R74-L85 WeakPolarHBondContact O-CA 3.34Å; H83-L85 PolarHBondContact O-N 2.92Å
86	E	95.9	Very high	87.2	Confident	13 Å²	13	61 Å²	61	6%	0.061	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	144.9	173.1	-66.2	165.7	-163.8	0	0	109	A43 V73 R74 C76 F119 W141	A43-E86 CarbonylContact O-C 3.59Å; A43-E86 WeakPolarHBondContact O-CA 3.5Å; V73-E86 CarbonylContact C-O 3.59Å; V73-E86 WeakPolarHBondContact CA-O 3.39Å; R74-E86 HydrophobicContact CG-CB 4.01Å; R74-E86 IonicContact CZ-OE2 3.6Å; R74-E86 PolarHBondContact N-O 2.71Å; R74-E86 IonicContact NE-OE2 3.59Å; R74-E86 PolarHBondContact NE-OE2 3.28Å; R74-E86 IonicContact NH2-OE2 3.12Å; R74-E86 PolarHBondContact NH2-OE2 2.69Å; R74-E86 PolarHBondContact O-N 2.9Å; C76-E86 HydrophobicContact CB-CG 4.45Å; C76-E86 PolarHBondContact SG-OE1 3.25Å; E86-F119 HydrophobicContact CG-CZ 4.22Å; E86-W141 HydrophobicContact CB-CH2 4.46Å
87	V	96.6	Very high	86.8	Confident	0 Å²	0	64.3 Å²	64.3	0%	0	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	138.2	-178	63.4	0	0	0	0	111.3	A42 A43 I45 L58 R72 V73 L89 L115	A42-V87 CarbonylContact C-O 3.49Å; A42-V87 WeakPolarHBondContact CA-O 3.49Å; A42-V87 WeakPolarHBondContact CB-O 3.46Å; A43-V87 PolarHBondContact N-O 3.27Å; A43-V87 PolarHBondContact O-N 3.25Å; I45-V87 HydrophobicContact CD1-CB 3.9Å; I45-V87 HydrophobicContact CD1-CG1 4.18Å; I45-V87 HydrophobicContact CG1-CB 4.02Å; I45-V87 HydrophobicContact CG1-CG1 3.78Å; L58-V87 HydrophobicContact CD1-CG1 4.23Å; L58-V87 HydrophobicContact CD1-CG2 3.58Å; R72-V87 HydrophobicContact CG-CG2 4.01Å; R72-V87 WeakPolarHBondContact O-CA 3.36Å; V73-V87 HydrophobicContact CG2-CB 4.25Å; V73-V87 HydrophobicContact CG2-CG2 3.93Å; V87-L89 HydrophobicContact CG1-CD2 4.07Å; V87-L115 HydrophobicContact CG1-CD2 3.52Å
88	L	96.9	Very high	86.6	Confident	1 Å²	1	60.1 Å²	60.1	1%	0.005	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	128.8	173.5	-160.9	69	0	0	0	109.7	A40 A42 L64 V70 R72 V121 V123 W141	A40-L88 HydrophobicContact CB-CD1 3.62Å; A40-L88 HydrophobicContact CB-CG 4.36Å; A42-L88 HydrophobicContact CB-CD1 4.35Å; L64-L88 HydrophobicContact CD1-CD2 4.26Å; L64-L88 HydrophobicContact CD2-CD2 3.86Å; V70-L88 HydrophobicContact CG1-CD2 4.09Å; R72-L88 PolarHBondContact NE-O 3.03Å; R72-L88 PolarHBondContact NH2-O 2.8Å; R72-L88 PolarHBondContact O-N 2.93Å; L88-V121 HydrophobicContact CD1-CG2 3.87Å; L88-V123 HydrophobicContact CD1-CG1 3.95Å; L88-V123 HydrophobicContact CD2-CG1 4.41Å; L88-W141 HydrophobicContact CB-CZ2 4.15Å; L88-W141 HydrophobicContact CD1-CH2 4.45Å; L88-W141 HydrophobicContact CD1-CZ2 4.43Å
89	L	95.1	Very high	86.4	Confident	0 Å²	0	61.7 Å²	61.7	0%	0	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	-66.1	-177.1	-56.9	-174.8	0	0	0	111.5	F41 A43 L58 Y62 R72 V87 I103 L106 L115 P118	F41-L89 HydrophobicContact CB-CB 4.21Å; F41-L89 HydrophobicContact CB-CD1 4.42Å; F41-L89 WeakPolarHBondContact O-CB 3.46Å; F41-L89 PolarHBondContact O-N 3.14Å; A43-L89 HydrophobicContact CB-CD1 3.9Å; A43-L89 HydrophobicContact CB-CD2 4.23Å; A43-L89 HydrophobicContact CB-CG 4.24Å; L58-L89 HydrophobicContact CD1-CD2 3.95Å; L58-L89 HydrophobicContact CD2-CD2 3.95Å; Y62-L89 WeakPolarHBondContact CB-O 3.15Å; R72-L89 PolarHBondContact NH2-O 2.97Å; V87-L89 HydrophobicContact CG1-CD2 4.07Å; L89-I103 HydrophobicContact CD1-CD1 3.97Å; L89-L106 HydrophobicContact CD1-CD1 4.12Å; L89-L115 HydrophobicContact CD2-CD1 4.05Å; L89-P118 HydrophobicContact CD1-CB 4.12Å; L89-P118 HydrophobicContact CD1-CG 4.11Å
90	C	92.9	Very high	86.8	Confident	2 Å²	2	55.9 Å²	55.9	1%	0.014	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-160.5	167.5	-176.2	55	0	0	0	0	110.6	A40 F41 Y62	A40-C90 CarbonylContact C-O 3.54Å; A40-C90 VanDerWaalsContact CA-O 3.3Å; A40-C90 WeakPolarHBondContact CA-O 3.39Å; A40-C90 WeakPolarHBondContact CB-O 3.36Å; F41-C90 PolarHBondContact N-O 3.41Å; Y62-C90 HydrophobicContact CD1-CB 3.74Å; Y62-C90 HydrophobicContact CD2-CB 3.7Å; Y62-C90 HydrophobicContact CE1-CB 4.08Å; Y62-C90 HydrophobicContact CE2-CB 4.05Å; Y62-C90 HydrophobicContact CG-CB 3.54Å
91	L	93.7	Very high	87.1	Confident	36 Å²	36	49.9 Å²	49.9	19%	0.188	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	149.9	170.1	-66.3	175.2	0	0	0	110.2	V38 A40 L67 S93 D94	V38-L91 HydrophobicContact CB-CD2 4.44Å; V38-L91 HydrophobicContact CG2-CD2 3.87Å; A40-L91 HydrophobicContact CB-CD2 4.01Å; L67-L91 HydrophobicContact CD1-CD1 4.2Å; L67-L91 HydrophobicContact CD1-CD2 3.61Å; L67-L91 HydrophobicContact CD1-CG 4.16Å; L91-S93 WeakPolarHBondContact CB-OG 3.46Å; L91-S93 PolarHBondContact O-N 2.89Å; L91-D94 WeakPolarHBondContact CB-OD2 3.33Å; L91-D94 PolarHBondContact N-OD2 2.95Å; L91-D94 WeakPolarHBondContact O-CB 3.46Å; L91-D94 PolarHBondContact O-N 3.32Å
92	L	92.3	Very high	87.6	Confident	31 Å²	31	50.6 Å²	50.6	16%	0.162	32%	0.319	C	S	.	.	G	3₁₀ helix	trans	-60.3	-31.4	173.7	-98.6	68.8	0	0	0	111.8	E39 A40 F41 D94 V95 V120	E39-L92 HydrophobicContact CB-CB 4.28Å; E39-L92 HydrophobicContact CB-CD1 4.08Å; E39-L92 HydrophobicContact CB-CD2 3.85Å; E39-L92 HydrophobicContact CB-CG 4.29Å; E39-L92 PolarHBondContact O-N 2.9Å; A40-L92 VanDerWaalsContact C-CD1 3.41Å; F41-L92 HydrophobicContact CD1-CD1 4.34Å; F41-L92 HydrophobicContact CD2-CD1 3.54Å; F41-L92 HydrophobicContact CD2-CG 4.11Å; F41-L92 HydrophobicContact CE1-CD1 4.34Å; F41-L92 HydrophobicContact CE2-CD1 3.55Å; F41-L92 HydrophobicContact CE2-CG 3.62Å; F41-L92 HydrophobicContact CG-CD1 3.96Å; F41-L92 HydrophobicContact CZ-CD1 3.97Å; F41-L92 HydrophobicContact CZ-CG 4.01Å; L92-D94 PolarHBondContact O-N 2.75Å; L92-V95 PolarHBondContact O-N 3.31Å; L92-V120 HydrophobicContact CD1-CG1 4.05Å; L92-V120 HydrophobicContact CD1-CG2 4.26Å; L92-V120 HydrophobicContact CD2-CG1 4.18Å; L92-V120 HydrophobicContact CD2-CG2 4.39Å
93	S	90	Very high	88	Confident	99 Å²	99	45.9 Å²	45.9	69%	0.692	29%	0.287	S	S	*	.	G	3₁₀ helix	trans	-65.5	-20.2	176.5	54	0	0	0	0	114.1	L91 V95	L91-S93 WeakPolarHBondContact CB-OG 3.46Å; L91-S93 PolarHBondContact O-N 2.89Å; S93-V95 VanDerWaalsContact C-N 3.32Å
94	D	87.1	Confident	88.2	Confident	74 Å²	74	49.5 Å²	49.5	40%	0.396	31%	0.314	S	S	.	.	G	3₁₀ helix	trans	-87.1	-8.7	-176.8	-56	-21.5	0	0	0	111.8	Y62 L91 L92	Y62-D94 HydrophobicContact CD1-CB 4.27Å; Y62-D94 HydrophobicContact CE1-CB 4.02Å; L91-D94 WeakPolarHBondContact CB-OD2 3.33Å; L91-D94 PolarHBondContact N-OD2 2.95Å; L91-D94 WeakPolarHBondContact O-CB 3.46Å; L91-D94 PolarHBondContact O-N 3.32Å; L92-D94 PolarHBondContact O-N 2.75Å
95	V	85	Confident	88.2	Confident	11 Å²	11	48.4 Å²	48.4	7%	0.067	31%	0.308	C	S	.	.			trans	-104.9	126.4	-173.4	-175	0	0	0	0	110.2	F41 L92 S93 N97 L106	F41-V95 HydrophobicContact CD2-CG2 4.15Å; F41-V95 HydrophobicContact CE2-CG2 4.08Å; L92-V95 PolarHBondContact O-N 3.31Å; S93-V95 VanDerWaalsContact C-N 3.32Å; V95-N97 VanDerWaalsContact C-N 3.32Å; V95-N97 PolarHBondContact O-N 3.22Å; V95-L106 HydrophobicContact CB-CD2 4.39Å; V95-L106 HydrophobicContact CG1-CD2 3.81Å; V95-L106 HydrophobicContact CG2-CD2 3.75Å
96	P	80.1	Confident	87.9	Confident	130 Å²	130	47 Å²	47	84%	0.844	30%	0.3	S	S	*	.	S	Bend	trans	-63.6	-33.9	-178.7	-21.4	31.1	0	0	0	114.1
97	N	81.1	Confident	87.6	Confident	93 Å²	93	46.7 Å²	46.7	50%	0.497	30%	0.299	S	S	.	.			trans	-132.1	89.6	-180	-174.3	6.8	0	0	0	111.3	V95 A99 D100	V95-N97 VanDerWaalsContact C-N 3.32Å; V95-N97 PolarHBondContact O-N 3.22Å; N97-A99 PolarHBondContact O-N 3.11Å; N97-A99 WeakPolarHBondContact OD1-CB 3.45Å; N97-A99 PolarHBondContact OD1-N 3.42Å; N97-D100 PolarHBondContact O-N 2.92Å
98	P	76.8	Confident	87.1	Confident	63 Å²	63	49.9 Å²	49.9	41%	0.409	32%	0.319	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.5	-13.1	-178.5	-19	31.2	0	0	0	114.6	D100	P98-D100 VanDerWaalsContact C-N 3.31Å
99	A	80.6	Confident	86.3	Confident	95 Å²	95	55.4 Å²	55.4	79%	0.785	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.1	-23.9	-179.8	0	0	0	0	0	112.6	N97	N97-A99 PolarHBondContact O-N 3.11Å; N97-A99 WeakPolarHBondContact OD1-CB 3.45Å; N97-A99 PolarHBondContact OD1-N 3.42Å
100	D	80.8	Confident	85.3	Confident	74 Å²	74	58 Å²	58	40%	0.396	39%	0.392	S	S	.	.			trans	-97.9	95.9	171.6	-173.8	-7.6	0	0	0	109	N97 P98 S102 S105	N97-D100 PolarHBondContact O-N 2.92Å; P98-D100 VanDerWaalsContact C-N 3.31Å; D100-S102 VanDerWaalsContact C-N 3.29Å; D100-S102 PolarHBondContact O-N 2.73Å; D100-S102 VanDerWaalsContact OD1-CB 3.32Å; D100-S102 WeakPolarHBondContact OD1-CB 3.42Å; D100-S102 PolarHBondContact OD1-N 3.46Å; D100-S102 PolarHBondContact OD1-OG 3.34Å; D100-S105 VanDerWaalsContact CG-CB 3.46Å; D100-S105 PolarHBondContact O-OG 3.16Å; D100-S105 PolarHBondContact OD1-OG 3.34Å; D100-S105 WeakPolarHBondContact OD2-CB 3.38Å
101	A	83.3	Confident	84.7	Confident	37 Å²	37	60.5 Å²	60.5	31%	0.306	41%	0.41	S	S	.	.			trans	-89.7	19.2	-178.1	0	0	0	0	0	113.3	F41 P118	F41-A101 HydrophobicContact CD1-CB 4.42Å; F41-A101 HydrophobicContact CE1-CB 3.66Å; F41-A101 HydrophobicContact CZ-CB 4.33Å; A101-P118 VanDerWaalsContact O-CB 3.27Å; A101-P118 WeakPolarHBondContact O-CB 3.4Å; A101-P118 WeakPolarHBondContact O-CD 3.44Å; A101-P118 WeakPolarHBondContact O-CG 3.33Å
102	S	88.3	Confident	84.5	Confident	45 Å²	45	60.1 Å²	60.1	32%	0.315	41%	0.406	S	S	.	.	S	Bend	trans	-76.4	154	179.6	69.5	0	0	0	0	112.4	D100 P104 S105 L106	D100-S102 VanDerWaalsContact C-N 3.29Å; D100-S102 PolarHBondContact O-N 2.73Å; D100-S102 VanDerWaalsContact OD1-CB 3.32Å; D100-S102 WeakPolarHBondContact OD1-CB 3.42Å; D100-S102 PolarHBondContact OD1-N 3.46Å; D100-S102 PolarHBondContact OD1-OG 3.34Å; S102-P104 VanDerWaalsContact C-CD 3.49Å; S102-S105 PolarHBondContact N-OG 2.77Å; S102-S105 PolarHBondContact O-N 3.4Å; S102-S105 PolarHBondContact O-OG 3.45Å; S102-S105 PolarHBondContact OG-OG 2.93Å; S102-L106 VanDerWaalsContact O-CG 3.26Å; S102-L106 WeakPolarHBondContact O-CG 3.43Å; S102-L106 PolarHBondContact O-N 3.4Å; S102-L106 VanDerWaalsContact O-N 3.09Å
103	I	88.6	Confident	84.3	Confident	29 Å²	29	65.4 Å²	65.4	15%	0.149	43%	0.43	C	S	.	.	H	α-helix	trans	-56.3	-42.9	177	-68.3	-68.6	0	0	0	113	L89 S105 L106 L107 W112 L115 P118	L89-I103 HydrophobicContact CD1-CD1 3.97Å; I103-S105 VanDerWaalsContact C-N 3.29Å; I103-S105 PolarHBondContact O-N 2.85Å; I103-L106 PolarHBondContact O-N 2.82Å; I103-L107 HydrophobicContact CD1-CD1 4.29Å; I103-L107 HydrophobicContact CG2-CD1 4.19Å; I103-L107 PolarHBondContact O-N 3.35Å; I103-W112 HydrophobicContact CG2-CB 3.81Å; I103-W112 HydrophobicContact CG2-CG 4.02Å; I103-L115 HydrophobicContact CD1-CB 4.06Å; I103-L115 HydrophobicContact CD1-CD1 3.8Å; I103-L115 HydrophobicContact CG1-CB 4.49Å; I103-P118 HydrophobicContact CD1-CG 3.48Å; I103-P118 VanDerWaalsContact CD1-CG 3.48Å; I103-P118 HydrophobicContact CG1-CG 3.82Å
104	P	87.3	Confident	84.2	Confident	112 Å²	112	61.5 Å²	61.5	73%	0.727	41%	0.405	S	S	*	.	H	α-helix	trans	-66.2	-26	179	-22.6	35.2	0	0	0	114.7	S102	S102-P104 VanDerWaalsContact C-CD 3.49Å
105	S	85.9	Confident	84.5	Confident	41 Å²	41	59.1 Å²	59.1	29%	0.287	39%	0.392	S	S	.	.	H	α-helix	trans	-81.3	-33.6	175.6	64.7	0	0	0	0	111.8	D100 S102 I103	D100-S105 VanDerWaalsContact CG-CB 3.46Å; D100-S105 PolarHBondContact O-OG 3.16Å; D100-S105 PolarHBondContact OD1-OG 3.34Å; D100-S105 WeakPolarHBondContact OD2-CB 3.38Å; S102-S105 PolarHBondContact N-OG 2.77Å; S102-S105 PolarHBondContact O-N 3.4Å; S102-S105 PolarHBondContact O-OG 3.45Å; S102-S105 PolarHBondContact OG-OG 2.93Å; I103-S105 VanDerWaalsContact C-N 3.29Å; I103-S105 PolarHBondContact O-N 2.85Å
106	L	87.3	Confident	84.8	Confident	1 Å²	1	59.4 Å²	59.4	1%	0.005	40%	0.398	C	S	.	.	H	α-helix	trans	-82.6	-38.2	-177.2	-63.7	179.1	0	0	0	113.2	F41 Y62 L89 V95 S102 I103 P118	F41-L106 HydrophobicContact CB-CD1 4.03Å; F41-L106 HydrophobicContact CD1-CD1 3.92Å; F41-L106 HydrophobicContact CD1-CD2 4.47Å; F41-L106 HydrophobicContact CD2-CD1 4.18Å; F41-L106 HydrophobicContact CD2-CD2 3.58Å; F41-L106 HydrophobicContact CE1-CD1 4.43Å; F41-L106 HydrophobicContact CE1-CD2 4.46Å; F41-L106 HydrophobicContact CE2-CD2 3.56Å; F41-L106 HydrophobicContact CG-CD1 3.78Å; F41-L106 HydrophobicContact CG-CD2 4.05Å; F41-L106 HydrophobicContact CZ-CD2 4.03Å; Y62-L106 WeakPolarHBondContact CE2-O 3.34Å; Y62-L106 PolarHBondContact OH-O 3.24Å; L89-L106 HydrophobicContact CD1-CD1 4.12Å; V95-L106 HydrophobicContact CB-CD2 4.39Å; V95-L106 HydrophobicContact CG1-CD2 3.81Å; V95-L106 HydrophobicContact CG2-CD2 3.75Å; S102-L106 VanDerWaalsContact O-CG 3.26Å; S102-L106 WeakPolarHBondContact O-CG 3.43Å; S102-L106 PolarHBondContact O-N 3.4Å; S102-L106 VanDerWaalsContact O-N 3.09Å; I103-L106 PolarHBondContact O-N 2.82Å; L106-P118 HydrophobicContact CD1-CB 3.67Å; L106-P118 HydrophobicContact CD1-CG 3.78Å
107	L	89.4	Confident	85.4	Confident	7 Å²	7	61.4 Å²	61.4	4%	0.037	40%	0.396	C	S	.	.	S	Bend	trans	-118.8	145.4	-171.9	-56.2	-180	0	0	0	111.2	L58 Y62 I103 W112 L115	L58-L107 HydrophobicContact CD2-CD1 4Å; L58-L107 HydrophobicContact CD2-CD2 3.73Å; Y62-L107 HydrophobicContact CD2-CD2 3.88Å; Y62-L107 HydrophobicContact CE2-CD2 3.8Å; I103-L107 HydrophobicContact CD1-CD1 4.29Å; I103-L107 HydrophobicContact CG2-CD1 4.19Å; I103-L107 PolarHBondContact O-N 3.35Å; L107-W112 HydrophobicContact CB-CD2 4.16Å; L107-W112 HydrophobicContact CB-CG 4.47Å; L107-W112 HydrophobicContact CB-CZ2 3.8Å; L107-W112 HydrophobicContact CD1-CD2 3.47Å; L107-W112 VanDerWaalsContact CD1-CD2 3.47Å; L107-W112 HydrophobicContact CD1-CE3 3.63Å; L107-W112 HydrophobicContact CD1-CG 3.91Å; L107-W112 HydrophobicContact CD1-CH2 4.25Å; L107-W112 HydrophobicContact CD1-CZ2 4.13Å; L107-W112 HydrophobicContact CD1-CZ3 4.02Å; L107-W112 HydrophobicContact CG-CD2 4.43Å; L107-W112 HydrophobicContact CG-CZ2 4.41Å; L107-L115 HydrophobicContact CD1-CD1 3.89Å
108	P	86.8	Confident	86	Confident	66 Å²	66	58 Å²	58	43%	0.429	38%	0.379	S	S	.	.			trans	-64.6	163.5	178.8	28.4	-35.5	0	0	0	111.7	V61 G110 W112	V61-P108 HydrophobicContact CB-CG 4.33Å; V61-P108 HydrophobicContact CG1-CG 3.64Å; V61-P108 HydrophobicContact CG2-CG 3.66Å; P108-G110 PolarHBondContact O-N 3.47Å; P108-G110 VanDerWaalsContact O-N 3.12Å; P108-W112 HydrophobicContact CG-CZ2 4.26Å; P108-W112 PolarHBondContact O-NE1 2.84Å
109	A	79.8	Confident	86.9	Confident	117 Å²	117	58.2 Å²	58.2	97%	0.967	37%	0.374	S	S	*	.	S	Bend	trans	-55	118.7	179.2	0	0	0	0	0	111.7
110	G	75.1	Confident	87.6	Confident	54 Å²	54	57.1 Å²	57.1	56%	0.557	36%	0.357	S	S	*	.	S	Bend	trans	-178.8	173.9	-173.6	0	0	0	0	0	112.8	P108 W112	P108-G110 PolarHBondContact O-N 3.47Å; P108-G110 VanDerWaalsContact O-N 3.12Å; G110-W112 PolarHBondContact O-N 3.34Å; G110-W112 VanDerWaalsContact O-N 3.14Å
111	S	80.1	Confident	88.3	Confident	56 Å²	56	54.4 Å²	54.4	39%	0.392	34%	0.343	S	S	.	.			trans	-85.1	78.7	-179.6	168.1	0	0	0	0	111.7	E113	S111-E113 PolarHBondContact O-N 3.38Å
112	W	89.3	Confident	88.9	Confident	28 Å²	28	57.8 Å²	57.8	11%	0.106	35%	0.351	C	S	.	.			trans	-82.8	21.9	175.4	-55.1	110.4	0	0	0	114	L54 E57 L58 V61 I103 L107 P108 G110 G114 L115	L54-W112 HydrophobicContact CD2-CE3 4.15Å; E57-W112 HydrophobicContact CB-CH2 3.98Å; E57-W112 HydrophobicContact CB-CZ3 3.8Å; L58-W112 HydrophobicContact CD2-CH2 4.28Å; L58-W112 HydrophobicContact CD2-CZ3 3.88Å; L58-W112 HydrophobicContact CG-CZ3 3.99Å; V61-W112 HydrophobicContact CG2-CH2 4.05Å; V61-W112 HydrophobicContact CG2-CZ2 4.23Å; I103-W112 HydrophobicContact CG2-CB 3.81Å; I103-W112 HydrophobicContact CG2-CG 4.02Å; L107-W112 HydrophobicContact CB-CD2 4.16Å; L107-W112 HydrophobicContact CB-CG 4.47Å; L107-W112 HydrophobicContact CB-CZ2 3.8Å; L107-W112 HydrophobicContact CD1-CD2 3.47Å; L107-W112 VanDerWaalsContact CD1-CD2 3.47Å; L107-W112 HydrophobicContact CD1-CE3 3.63Å; L107-W112 HydrophobicContact CD1-CG 3.91Å; L107-W112 HydrophobicContact CD1-CH2 4.25Å; L107-W112 HydrophobicContact CD1-CZ2 4.13Å; L107-W112 HydrophobicContact CD1-CZ3 4.02Å; L107-W112 HydrophobicContact CG-CD2 4.43Å; L107-W112 HydrophobicContact CG-CZ2 4.41Å; P108-W112 HydrophobicContact CG-CZ2 4.26Å; P108-W112 PolarHBondContact O-NE1 2.84Å; G110-W112 PolarHBondContact O-N 3.34Å; G110-W112 VanDerWaalsContact O-N 3.14Å; W112-G114 PolarHBondContact O-N 2.94Å; W112-L115 HydrophobicContact CB-CD1 4.21Å; W112-L115 HydrophobicContact CE3-CD1 4.32Å; W112-L115 PolarHBondContact O-N 3.4Å
113	E	87.3	Confident	89.3	Confident	141 Å²	141	55.6 Å²	55.6	66%	0.659	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.2	131.7	178.5	-68.4	-178.6	172.6	0	0	111.5	R53 S111	R53-E113 PolarHBondContact NH2-O 2.91Å; S111-E113 PolarHBondContact O-N 3.38Å
114	G	88.8	Confident	89.8	Confident	18 Å²	18	54.2 Å²	54.2	19%	0.186	33%	0.329	C	S	.	.	T	Hydrogen-bonded Turn	trans	95	0.6	-179.4	0	0	0	0	0	114.8	I45 V46 N47 W112	I45-G114 CarbonylContact C-O 3.23Å; I45-G114 WeakPolarHBondContact CA-O 3.11Å; V46-G114 PolarHBondContact N-O 3.14Å; N47-G114 PolarHBondContact N-O 3.28Å; W112-G114 PolarHBondContact O-N 2.94Å
115	L	93.1	Very high	90.2	Very high	23 Å²	23	49.8 Å²	49.8	12%	0.12	30%	0.301	C	S	.	.	B	Isolated β-bridge	trans	-85.6	140.2	162.9	-67.5	-179.4	0	0	0	111.1	A43 P44 I45 L54 V87 L89 I103 L107 W112	A43-L115 HydrophobicContact CB-CD2 4.31Å; P44-L115 CarbonylContact O-C 3.59Å; P44-L115 WeakPolarHBondContact O-CA 3.35Å; I45-L115 HydrophobicContact CG1-CD2 4.48Å; L54-L115 HydrophobicContact CD1-CD2 3.8Å; L54-L115 HydrophobicContact CD1-CG 4.17Å; L54-L115 HydrophobicContact CD2-CD1 4.21Å; L54-L115 HydrophobicContact CD2-CD2 4.27Å; L54-L115 HydrophobicContact CD2-CG 3.91Å; V87-L115 HydrophobicContact CG1-CD2 3.52Å; L89-L115 HydrophobicContact CD2-CD1 4.05Å; I103-L115 HydrophobicContact CD1-CB 4.06Å; I103-L115 HydrophobicContact CD1-CD1 3.8Å; I103-L115 HydrophobicContact CG1-CB 4.49Å; L107-L115 HydrophobicContact CD1-CD1 3.89Å; W112-L115 HydrophobicContact CB-CD1 4.21Å; W112-L115 HydrophobicContact CE3-CD1 4.32Å; W112-L115 PolarHBondContact O-N 3.4Å
116	G	92	Very high	90.6	Very high	18 Å²	18	55 Å²	55	19%	0.186	32%	0.315	C	S	.	.			trans	-89.1	-167	169.6	0	0	0	0	0	112.2	P44	P44-G116 PolarHBondContact O-N 3.23Å
117	E	91.9	Very high	91	Very high	172 Å²	172	58.3 Å²	58.3	80%	0.804	34%	0.336	S	S	*	.			trans	-65.4	129.5	177.8	-68.3	-172.5	167.7	0	0	111.7	P44	P44-E117 WeakPolarHBondContact CD-O 3.4Å
118	P	94.7	Very high	91.2	Very high	22 Å²	22	58.6 Å²	58.6	14%	0.143	34%	0.338	C	S	.	.			trans	-68.6	151.4	176.9	-22.5	35.7	0	0	0	113.3	F41 A42 A43 L89 A101 I103 L106	F41-P118 HydrophobicContact CD1-CB 4.45Å; A42-P118 CarbonylContact O-C 3.23Å; A42-P118 VanDerWaalsContact O-CA 3.22Å; A42-P118 WeakPolarHBondContact O-CA 3.28Å; A43-P118 HydrophobicContact CB-CG 4.47Å; L89-P118 HydrophobicContact CD1-CB 4.12Å; L89-P118 HydrophobicContact CD1-CG 4.11Å; A101-P118 VanDerWaalsContact O-CB 3.27Å; A101-P118 WeakPolarHBondContact O-CB 3.4Å; A101-P118 WeakPolarHBondContact O-CD 3.44Å; A101-P118 WeakPolarHBondContact O-CG 3.33Å; I103-P118 HydrophobicContact CD1-CG 3.48Å; I103-P118 VanDerWaalsContact CD1-CG 3.48Å; I103-P118 HydrophobicContact CG1-CG 3.82Å; L106-P118 HydrophobicContact CD1-CB 3.67Å; L106-P118 HydrophobicContact CD1-CG 3.78Å
119	F	93.9	Very high	91.6	Very high	67 Å²	67	58.6 Å²	58.6	29%	0.294	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	157.4	176.7	63	-82.1	0	0	0	110.9	F41 A42 P44 E86 V121	F41-F119 WeakPolarHBondContact CA-O 3.39Å; A42-F119 HydrophobicContact CB-CE1 4.15Å; A42-F119 HydrophobicContact CB-CE2 4.19Å; A42-F119 HydrophobicContact CB-CZ 3.87Å; A42-F119 PolarHBondContact N-O 3.39Å; A42-F119 VanDerWaalsContact O-CD1 3.31Å; A42-F119 WeakPolarHBondContact O-CD1 3.31Å; A42-F119 PolarHBondContact O-N 3.12Å; P44-F119 HydrophobicContact CG-CE1 4.4Å; E86-F119 HydrophobicContact CG-CZ 4.22Å; F119-V121 HydrophobicContact CD2-CG1 3.53Å; F119-V121 HydrophobicContact CE2-CG1 3.18Å; F119-V121 HydrophobicContact CZ-CG1 4.2Å
120	V	95.3	Very high	92.3	Very high	72 Å²	72	53.3 Å²	53.3	44%	0.436	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	135.1	-179	-177.8	0	0	0	0	110.6	E39 F41 L92	E39-V120 HydrophobicContact CB-CG1 4.15Å; E39-V120 HydrophobicContact CG-CG1 4.45Å; F41-V120 HydrophobicContact CD1-CG2 4.12Å; F41-V120 HydrophobicContact CE1-CG2 3.74Å; F41-V120 HydrophobicContact CZ-CG2 4.41Å; L92-V120 HydrophobicContact CD1-CG1 4.05Å; L92-V120 HydrophobicContact CD1-CG2 4.26Å; L92-V120 HydrophobicContact CD2-CG1 4.18Å; L92-V120 HydrophobicContact CD2-CG2 4.39Å
121	V	95.8	Very high	93.2	Very high	16 Å²	16	54.1 Å²	54.1	10%	0.097	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	157.6	174.7	-65	0	0	0	0	111.1	E39 A40 A42 L88 F119 V123 W141	E39-V121 WeakPolarHBondContact CA-O 3.37Å; A40-V121 HydrophobicContact CB-CG2 4.36Å; A40-V121 PolarHBondContact N-O 2.88Å; A40-V121 WeakPolarHBondContact O-CG2 3.3Å; A40-V121 PolarHBondContact O-N 2.82Å; A42-V121 HydrophobicContact CB-CG1 4.15Å; A42-V121 HydrophobicContact CB-CG2 3.85Å; L88-V121 HydrophobicContact CD1-CG2 3.87Å; F119-V121 HydrophobicContact CD2-CG1 3.53Å; F119-V121 HydrophobicContact CE2-CG1 3.18Å; F119-V121 HydrophobicContact CZ-CG1 4.2Å; V121-V123 HydrophobicContact CG2-CG1 4.14Å; V121-W141 HydrophobicContact CB-CE3 4.32Å; V121-W141 HydrophobicContact CB-CZ3 4.22Å; V121-W141 HydrophobicContact CG1-CZ3 4.07Å; V121-W141 HydrophobicContact CG2-CE3 4.02Å; V121-W141 HydrophobicContact CG2-CZ3 3.83Å
122	K	96.9	Very high	93.8	Very high	108 Å²	108	54.5 Å²	54.5	47%	0.47	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	124.1	172.2	-68.3	-171.9	179.1	-169.5	0	109.9	L37 V38 E39	L37-K122 HydrophobicContact CB-CB 4.22Å; L37-K122 HydrophobicContact CD1-CB 4.11Å; L37-K122 HydrophobicContact CD1-CD 4.4Å; V38-K122 WeakPolarHBondContact O-CA 3.38Å; E39-K122 HydrophobicContact CG-CG 4.14Å; E39-K122 WeakPolarHBondContact OE1-CE 3.17Å; E39-K122 IonicContact OE1-NZ 3.75Å
123	V	96.9	Very high	94.1	Very high	0 Å²	0	54 Å²	54	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	150.7	179.1	-56.9	0	0	0	0	111	L37 V38 A40 L67 V70 L88 V121 A125 W141	L37-V123 WeakPolarHBondContact CA-O 3.15Å; V38-V123 HydrophobicContact CG2-CG2 3.77Å; V38-V123 PolarHBondContact N-O 3.28Å; V38-V123 PolarHBondContact O-N 2.77Å; A40-V123 HydrophobicContact CB-CG2 4.27Å; L67-V123 HydrophobicContact CD1-CG2 4.24Å; V70-V123 HydrophobicContact CG1-CB 4.34Å; V70-V123 HydrophobicContact CG1-CG1 4.45Å; L88-V123 HydrophobicContact CD1-CG1 3.95Å; L88-V123 HydrophobicContact CD2-CG1 4.41Å; V121-V123 HydrophobicContact CG2-CG1 4.14Å; V123-A125 PolarHBondContact O-N 3.31Å; V123-W141 HydrophobicContact CB-CB 4.25Å; V123-W141 HydrophobicContact CG1-CB 3.82Å; V123-W141 HydrophobicContact CG1-CD2 3.98Å; V123-W141 HydrophobicContact CG1-CE3 4.13Å; V123-W141 HydrophobicContact CG1-CG 3.84Å
124	P	97.3	Very high	94.5	Very high	0 Å²	0	49.6 Å²	49.6	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.7	121.5	177.4	-25.3	37.4	0	0	0	111.9	V35 L37 L67 H69 R126 A137 T143	V35-P124 HydrophobicContact CG1-CB 4.05Å; V35-P124 HydrophobicContact CG1-CG 4.38Å; L37-P124 HydrophobicContact CD2-CG 4.45Å; L67-P124 WeakPolarHBondContact CD2-O 3.41Å; H69-P124 PolarHBondContact NE2-O 3.02Å; P124-R126 VanDerWaalsContact C-N 3.29Å; P124-R126 PolarHBondContact O-N 3.44Å; P124-A137 HydrophobicContact CB-CB 4.03Å; P124-A137 HydrophobicContact CG-CB 3.59Å; P124-T143 HydrophobicContact CB-CG2 4.2Å; P124-T143 HydrophobicContact CG-CG2 3.73Å
125	A	95.8	Very high	94.8	Very high	19 Å²	19	54 Å²	54	16%	0.157	27%	0.271	C	S	.	.	S	Bend	trans	-69.3	-28.1	-176.9	0	0	0	0	0	112.9	E36 V38 L67 V123	E36-A125 HydrophobicContact CB-CB 4.06Å; E36-A125 HydrophobicContact CG-CB 3.85Å; E36-A125 WeakPolarHBondContact O-CB 3.17Å; E36-A125 PolarHBondContact O-N 2.86Å; V38-A125 HydrophobicContact CB-CB 4.47Å; V38-A125 HydrophobicContact CG1-CB 3.72Å; V38-A125 HydrophobicContact CG2-CB 4.15Å; L67-A125 WeakPolarHBondContact CD2-O 3.48Å; V123-A125 PolarHBondContact O-N 3.31Å
126	R	94.9	Very high	94.8	Very high	151 Å²	151	57.9 Å²	57.9	57%	0.57	29%	0.291	S	S	*	.	S	Bend	trans	-130.5	153.4	-177.1	-59.2	-174.9	-160.3	-158.8	1.2	110.9	E36 H69 P124	E36-R126 IonicContact OE2-CZ 2.68Å; E36-R126 IonicContact OE2-NE 2.7Å; E36-R126 PolarHBondContact OE2-NE 3.47Å; E36-R126 IonicContact OE2-NH2 3.1Å; E36-R126 PolarHBondContact OE2-NH2 3.41Å; H69-R126 VanDerWaalsContact CE1-C 3.42Å; H69-R126 PolarHBondContact NE2-O 3.09Å; H69-R126 VanDerWaalsContact NE2-O 3.16Å; P124-R126 VanDerWaalsContact C-N 3.29Å; P124-R126 PolarHBondContact O-N 3.44Å
127	P	95.1	Very high	95	Very high	69 Å²	69	57 Å²	57	45%	0.448	28%	0.283	S	S	.	.			trans	-62.3	135.4	173.5	25.5	-34.2	0	0	0	110.4	H69 L129	H69-P127 HydrophobicContact CB-CB 3.92Å; P127-L129 PolarHBondContact O-N 2.84Å
128	P	95.1	Very high	95.2	Very high	13 Å²	13	50.7 Å²	50.7	8%	0.084	26%	0.257	C	S	.	.			trans	-66	134.9	174.1	27.2	-32.5	0	0	0	110.1	Q133 F134 F145	P128-Q133 HydrophobicContact CB-CB 3.86Å; P128-F134 HydrophobicContact CB-CB 3.84Å; P128-F134 HydrophobicContact CG-CB 3.93Å; P128-F134 HydrophobicContact CG-CD2 4.05Å; P128-F145 HydrophobicContact CB-CD2 4.38Å; P128-F145 HydrophobicContact CG-CB 4.2Å; P128-F145 HydrophobicContact CG-CD2 4.1Å; P128-F145 HydrophobicContact CG-CG 4.47Å; P128-F145 WeakPolarHBondContact O-CD2 3.4Å
129	L	93.9	Very high	95.1	Very high	66 Å²	66	53.8 Å²	53.8	35%	0.346	28%	0.278	S	S	.	.			trans	-102.2	-17.2	179.7	-58.4	-179.3	0	0	0	112.6	E30 Q31 P127	E30-L129 HydrophobicContact CB-CD1 3.65Å; Q31-L129 HydrophobicContact CG-CB 3.91Å; Q31-L129 HydrophobicContact CG-CD1 3.91Å; P127-L129 PolarHBondContact O-N 2.84Å
130	T	94.9	Very high	95.1	Very high	7 Å²	7	57.1 Å²	57.1	4%	0.043	29%	0.289	C	S	.	.	S	Bend	trans	-127.4	156.3	178.6	68.2	0	0	0	0	111.2	L27 Q31 Q133 F134 V151 L155	L27-T130 HydrophobicContact CD1-CG2 4.08Å; Q31-T130 HydrophobicContact CB-CG2 4.08Å; Q31-T130 HydrophobicContact CG-CG2 4.47Å; Q31-T130 WeakPolarHBondContact O-CG2 3.47Å; T130-Q133 WeakPolarHBondContact O-CB 3.49Å; T130-Q133 PolarHBondContact O-N 3.08Å; T130-Q133 WeakPolarHBondContact OG1-CG 3.13Å; T130-Q133 PolarHBondContact OG1-N 2.65Å; T130-F134 PolarHBondContact O-N 2.88Å; T130-V151 HydrophobicContact CG2-CG1 4.22Å; T130-L155 HydrophobicContact CG2-CD1 4.36Å
131	R	93.8	Very high	95.2	Very high	70 Å²	70	53.7 Å²	53.7	26%	0.264	27%	0.268	S	S	.	.	H	α-helix	trans	-56.3	-44.5	176	176	72.6	105.9	-130.4	-13.2	112.4	Q133 F134 E135 F145 E147	R131-Q133 PolarHBondContact O-N 3.28Å; R131-F134 WeakPolarHBondContact O-CB 3.35Å; R131-F134 PolarHBondContact O-N 3.19Å; R131-F134 VanDerWaalsContact O-N 3.15Å; R131-E135 WeakPolarHBondContact CD-OE1 3.39Å; R131-E135 HydrophobicContact CG-CG 4.43Å; R131-E135 VanDerWaalsContact CG-OE1 3.32Å; R131-E135 WeakPolarHBondContact CG-OE1 3.48Å; R131-E135 WeakPolarHBondContact O-CG 3.39Å; R131-E135 PolarHBondContact O-N 3Å; R131-F145 HydrophobicContact CB-CE1 4.2Å; R131-F145 HydrophobicContact CB-CZ 4.39Å; R131-E147 VanDerWaalsContact CZ-CD 3.41Å; R131-E147 IonicContact CZ-OE1 3.76Å; R131-E147 IonicContact CZ-OE2 3.02Å; R131-E147 IonicContact NE-OE1 3.55Å; R131-E147 IonicContact NH1-OE1 2.83Å; R131-E147 IonicContact NH1-OE2 3.99Å; R131-E147 PolarHBondContact NH1-OE2 3.26Å; R131-E147 VanDerWaalsContact NH1-OE2 3.12Å; R131-E147 IonicContact NH2-OE1 3.57Å; R131-E147 PolarHBondContact NH2-OE1 2.93Å; R131-E147 IonicContact NH2-OE2 2.66Å; R131-E147 PolarHBondContact NH2-OE2 2.99Å
132	P	93.1	Very high	95.2	Very high	64 Å²	64	54.9 Å²	54.9	42%	0.416	28%	0.276	S	S	.	.	H	α-helix	trans	-59	-42.8	174.7	-26.8	36.3	0	0	0	113.5	F134 E135 L136	P132-F134 VanDerWaalsContact C-N 3.33Å; P132-F134 PolarHBondContact O-N 3.41Å; P132-E135 PolarHBondContact O-N 3.46Å; P132-L136 WeakPolarHBondContact O-CG 3.2Å; P132-L136 PolarHBondContact O-N 2.97Å; P132-L136 VanDerWaalsContact O-N 3.12Å
133	Q	95.6	Very high	95.1	Very high	18 Å²	18	50.1 Å²	50.1	8%	0.084	26%	0.256	C	S	.	.	H	α-helix	trans	-61.3	-43	174.3	-76.2	176.2	-28.7	0	0	111.3	E30 Q31 A33 V35 P128 T130 R131 L136 A137	E30-Q133 PolarHBondContact O-NE2 3.34Å; Q31-Q133 PolarHBondContact O-NE2 3.23Å; A33-Q133 PolarHBondContact O-NE2 2.84Å; V35-Q133 HydrophobicContact CG2-CB 4.14Å; V35-Q133 HydrophobicContact CG2-CG 4.34Å; V35-Q133 WeakPolarHBondContact CG2-O 3.45Å; P128-Q133 HydrophobicContact CB-CB 3.86Å; T130-Q133 WeakPolarHBondContact O-CB 3.49Å; T130-Q133 PolarHBondContact O-N 3.08Å; T130-Q133 WeakPolarHBondContact OG1-CG 3.13Å; T130-Q133 PolarHBondContact OG1-N 2.65Å; R131-Q133 PolarHBondContact O-N 3.28Å; Q133-L136 PolarHBondContact O-N 3.04Å; Q133-A137 WeakPolarHBondContact O-CB 3.39Å; Q133-A137 PolarHBondContact O-N 3.36Å
134	F	95.6	Very high	94.9	Very high	49 Å²	49	52.9 Å²	52.9	22%	0.215	27%	0.273	C	S	.	.	H	α-helix	trans	-62.5	-42.8	178.7	167.2	-109.7	0	0	0	112.7	P128 T130 R131 P132 A137 S138 F145	P128-F134 HydrophobicContact CB-CB 3.84Å; P128-F134 HydrophobicContact CG-CB 3.93Å; P128-F134 HydrophobicContact CG-CD2 4.05Å; T130-F134 PolarHBondContact O-N 2.88Å; R131-F134 WeakPolarHBondContact O-CB 3.35Å; R131-F134 PolarHBondContact O-N 3.19Å; R131-F134 VanDerWaalsContact O-N 3.15Å; P132-F134 VanDerWaalsContact C-N 3.33Å; P132-F134 PolarHBondContact O-N 3.41Å; F134-A137 PolarHBondContact O-N 3.06Å; F134-S138 WeakPolarHBondContact CD2-OG 3.44Å; F134-S138 WeakPolarHBondContact CE2-OG 3.27Å; F134-S138 WeakPolarHBondContact CZ-OG 3.25Å; F134-S138 WeakPolarHBondContact O-CB 3.47Å; F134-S138 PolarHBondContact O-N 3.14Å; F134-S138 PolarHBondContact O-OG 2.9Å; F134-F145 HydrophobicContact CB-CB 3.98Å; F134-F145 HydrophobicContact CB-CD1 3.69Å; F134-F145 HydrophobicContact CB-CD2 4.04Å; F134-F145 HydrophobicContact CB-CE1 4.14Å; F134-F145 HydrophobicContact CB-CE2 4.46Å; F134-F145 HydrophobicContact CB-CG 3.63Å; F134-F145 HydrophobicContact CB-CZ 4.5Å; F134-F145 HydrophobicContact CD1-CB 4.23Å; F134-F145 AromaticContact CD1-CD1 3.7Å; F134-F145 HydrophobicContact CD1-CD1 3.7Å; F134-F145 HydrophobicContact CD1-CE1 4.42Å; F134-F145 HydrophobicContact CD1-CG 4.21Å; F134-F145 HydrophobicContact CD2-CB 3.15Å; F134-F145 HydrophobicContact CD2-CD1 4.14Å; F134-F145 AromaticContact CD2-CG 3.81Å; F134-F145 HydrophobicContact CD2-CG 3.81Å; F134-F145 HydrophobicContact CE1-CD1 4.35Å; F134-F145 HydrophobicContact CE2-CB 3.54Å; F134-F145 HydrophobicContact CE2-CG 4.49Å; F134-F145 HydrophobicContact CG-CB 3.51Å; F134-F145 AromaticContact CG-CD1 3.55Å; F134-F145 HydrophobicContact CG-CD1 3.55Å; F134-F145 HydrophobicContact CG-CD2 4.46Å; F134-F145 HydrophobicContact CG-CE1 4.38Å; F134-F145 AromaticContact CG-CG 3.6Å; F134-F145 HydrophobicContact CG-CG 3.6Å; F134-F145 HydrophobicContact CZ-CB 4.24Å
135	E	94.5	Very high	94.8	Very high	110 Å²	110	54.5 Å²	54.5	51%	0.514	28%	0.28	S	S	.	.	H	α-helix	trans	-60.6	-47.9	177.6	-72.8	169	-176.3	0	0	110.5	R131 P132 S138 C139	R131-E135 WeakPolarHBondContact CD-OE1 3.39Å; R131-E135 HydrophobicContact CG-CG 4.43Å; R131-E135 VanDerWaalsContact CG-OE1 3.32Å; R131-E135 WeakPolarHBondContact CG-OE1 3.48Å; R131-E135 WeakPolarHBondContact O-CG 3.39Å; R131-E135 PolarHBondContact O-N 3Å; P132-E135 PolarHBondContact O-N 3.46Å; E135-S138 PolarHBondContact O-N 3.33Å; E135-C139 PolarHBondContact O-N 2.93Å; E135-C139 PolarHBondContact O-SG 3.36Å
136	L	94.9	Very high	94.5	Very high	104 Å²	104	61.9 Å²	61.9	55%	0.545	31%	0.311	S	S	.	.	H	α-helix	trans	-63.6	-43.3	176.2	-68.5	173.8	0	0	0	112.8	V35 P132 Q133 C139	V35-L136 HydrophobicContact CG2-CB 3.84Å; V35-L136 HydrophobicContact CG2-CD1 4.48Å; P132-L136 WeakPolarHBondContact O-CG 3.2Å; P132-L136 PolarHBondContact O-N 2.97Å; P132-L136 VanDerWaalsContact O-N 3.12Å; Q133-L136 PolarHBondContact O-N 3.04Å; L136-C139 WeakPolarHBondContact O-CB 3.21Å; L136-C139 PolarHBondContact O-N 2.84Å
137	A	95.8	Very high	94.1	Very high	1 Å²	1	57.8 Å²	57.8	1%	0.008	30%	0.298	C	S	.	.	H	α-helix	trans	-63.3	-44.7	178.8	0	0	0	0	0	111.6	V35 P124 Q133 F134 C139 R140 W141	V35-A137 HydrophobicContact CG1-CB 3.98Å; V35-A137 HydrophobicContact CG2-CB 4.39Å; P124-A137 HydrophobicContact CB-CB 4.03Å; P124-A137 HydrophobicContact CG-CB 3.59Å; Q133-A137 WeakPolarHBondContact O-CB 3.39Å; Q133-A137 PolarHBondContact O-N 3.36Å; F134-A137 PolarHBondContact O-N 3.06Å; A137-C139 VanDerWaalsContact C-N 3.27Å; A137-C139 PolarHBondContact O-N 3.03Å; A137-R140 WeakPolarHBondContact O-CB 3.23Å; A137-R140 PolarHBondContact O-N 2.94Å; A137-W141 PolarHBondContact O-N 3.19Å; A137-W141 VanDerWaalsContact O-N 3.14Å; A137-W141 VanDerWaalsContact O-O 3.13Å
138	S	94.8	Very high	93.8	Very high	39 Å²	39	58.1 Å²	58.1	27%	0.273	30%	0.297	S	S	.	.	H	α-helix	trans	-64.9	-29	180	-66.7	0	0	0	0	113	F134 E135 R140 T143	F134-S138 WeakPolarHBondContact CD2-OG 3.44Å; F134-S138 WeakPolarHBondContact CE2-OG 3.27Å; F134-S138 WeakPolarHBondContact CZ-OG 3.25Å; F134-S138 WeakPolarHBondContact O-CB 3.47Å; F134-S138 PolarHBondContact O-N 3.14Å; F134-S138 PolarHBondContact O-OG 2.9Å; E135-S138 PolarHBondContact O-N 3.33Å; S138-R140 PolarHBondContact O-N 2.91Å; S138-T143 PolarHBondContact OG-OG1 2.88Å
139	C	93.8	Very high	93.5	Very high	86 Å²	86	65.3 Å²	65.3	58%	0.581	33%	0.327	S	S	*	.	H	α-helix	trans	-64.7	-23	171	-68.5	0	0	0	0	113	R77 E135 L136 A137	R77-C139 PolarHBondContact NH2-O 3.48Å; E135-C139 PolarHBondContact O-N 2.93Å; E135-C139 PolarHBondContact O-SG 3.36Å; L136-C139 WeakPolarHBondContact O-CB 3.21Å; L136-C139 PolarHBondContact O-N 2.84Å; A137-C139 VanDerWaalsContact C-N 3.27Å; A137-C139 PolarHBondContact O-N 3.03Å
140	R	94.5	Very high	93.1	Very high	138 Å²	138	68.2 Å²	68.2	52%	0.521	34%	0.338	S	S	.	.	H	α-helix	trans	-89.6	-53.9	179.5	-58.4	-60.7	-175.4	174.6	0.3	111.3	L37 R74 R77 A137 S138	L37-R140 HydrophobicContact CD1-CG 4.06Å; L37-R140 HydrophobicContact CD2-CB 4.2Å; L37-R140 HydrophobicContact CD2-CG 3.82Å; R74-R140 PolarHBondContact NH1-O 3.46Å; R77-R140 PolarHBondContact NH2-O 3.15Å; A137-R140 WeakPolarHBondContact O-CB 3.23Å; A137-R140 PolarHBondContact O-N 2.94Å; S138-R140 PolarHBondContact O-N 2.91Å
141	W	95.6	Very high	92.7	Very high	0 Å²	0	68.9 Å²	68.9	0%	0	34%	0.342	C	S	.	.	S	Bend	trans	-152	146.5	174.4	-165.7	-84.6	0	0	0	109.8	A42 V70 K71 R74 E86 L88 V121 V123 A137 T143	A42-W141 HydrophobicContact CB-CH2 3.86Å; A42-W141 HydrophobicContact CB-CZ3 4.05Å; V70-W141 HydrophobicContact CG1-CG 4.06Å; K71-W141 PolarHBondContact O-NE1 2.95Å; R74-W141 HydrophobicContact CB-CZ2 4.29Å; R74-W141 HydrophobicContact CG-CH2 3.78Å; R74-W141 HydrophobicContact CG-CZ2 3.76Å; R74-W141 HydrophobicContact CG-CZ3 4.28Å; R74-W141 VanDerWaalsContact CZ-CE3 3.46Å; R74-W141 VanDerWaalsContact NH1-CZ3 3.33Å; E86-W141 HydrophobicContact CB-CH2 4.46Å; L88-W141 HydrophobicContact CB-CZ2 4.15Å; L88-W141 HydrophobicContact CD1-CH2 4.45Å; L88-W141 HydrophobicContact CD1-CZ2 4.43Å; V121-W141 HydrophobicContact CB-CE3 4.32Å; V121-W141 HydrophobicContact CB-CZ3 4.22Å; V121-W141 HydrophobicContact CG1-CZ3 4.07Å; V121-W141 HydrophobicContact CG2-CE3 4.02Å; V121-W141 HydrophobicContact CG2-CZ3 3.83Å; V123-W141 HydrophobicContact CB-CB 4.25Å; V123-W141 HydrophobicContact CG1-CB 3.82Å; V123-W141 HydrophobicContact CG1-CD2 3.98Å; V123-W141 HydrophobicContact CG1-CE3 4.13Å; V123-W141 HydrophobicContact CG1-CG 3.84Å; A137-W141 PolarHBondContact O-N 3.19Å; A137-W141 VanDerWaalsContact O-N 3.14Å; A137-W141 VanDerWaalsContact O-O 3.13Å; W141-T143 PolarHBondContact O-N 3.44Å; W141-T143 VanDerWaalsContact O-N 3.14Å
142	P	95.9	Very high	92.5	Very high	41 Å²	41	66 Å²	66	27%	0.266	33%	0.332	S	S	.	.			trans	-56.6	123	178.9	-27.6	36.6	0	0	0	111.9	K71 R74	K71-P142 HydrophobicContact CB-CB 4.22Å; K71-P142 WeakPolarHBondContact CB-O 3.35Å; K71-P142 HydrophobicContact CD-CB 3.97Å; K71-P142 HydrophobicContact CG-CB 4.33Å; K71-P142 PolarHBondContact N-O 3.44Å; R74-P142 HydrophobicContact CB-CG 3.64Å
143	T	95	Very high	92.3	Very high	7 Å²	7	65.4 Å²	65.4	4%	0.043	33%	0.327	C	S	.	.	B	Isolated β-bridge	trans	-119.9	158.5	179	48.5	0	0	0	0	111	H69 V70 P124 S138 W141	H69-T143 CarbonylContact O-C 3.51Å; H69-T143 WeakPolarHBondContact O-CA 3.37Å; V70-T143 HydrophobicContact CG2-CG2 4.36Å; P124-T143 HydrophobicContact CB-CG2 4.2Å; P124-T143 HydrophobicContact CG-CG2 3.73Å; S138-T143 PolarHBondContact OG-OG1 2.88Å; W141-T143 PolarHBondContact O-N 3.44Å; W141-T143 VanDerWaalsContact O-N 3.14Å
144	T	94.2	Very high	92	Very high	58 Å²	58	64.7 Å²	64.7	36%	0.356	33%	0.325	S	S	.	.			trans	-90.8	144.1	166.8	59.9	0	0	0	0	109	H69 K71	H69-T144 WeakPolarHBondContact CA-OG1 3.4Å; H69-T144 PolarHBondContact O-N 3.24Å; H69-T144 PolarHBondContact O-OG1 3.31Å; K71-T144 HydrophobicContact CG-CG2 4.37Å
145	F	93.9	Very high	91.7	Very high	35 Å²	35	65.1 Å²	65.1	15%	0.154	33%	0.329	C	S	.	.			trans	-143.8	125.5	178.8	170.6	-122.9	0	0	0	109.3	P128 R131 F134 E147	P128-F145 HydrophobicContact CB-CD2 4.38Å; P128-F145 HydrophobicContact CG-CB 4.2Å; P128-F145 HydrophobicContact CG-CD2 4.1Å; P128-F145 HydrophobicContact CG-CG 4.47Å; P128-F145 WeakPolarHBondContact O-CD2 3.4Å; R131-F145 HydrophobicContact CB-CE1 4.2Å; R131-F145 HydrophobicContact CB-CZ 4.39Å; F134-F145 HydrophobicContact CB-CB 3.98Å; F134-F145 HydrophobicContact CB-CD1 3.69Å; F134-F145 HydrophobicContact CB-CD2 4.04Å; F134-F145 HydrophobicContact CB-CE1 4.14Å; F134-F145 HydrophobicContact CB-CE2 4.46Å; F134-F145 HydrophobicContact CB-CG 3.63Å; F134-F145 HydrophobicContact CB-CZ 4.5Å; F134-F145 HydrophobicContact CD1-CB 4.23Å; F134-F145 AromaticContact CD1-CD1 3.7Å; F134-F145 HydrophobicContact CD1-CD1 3.7Å; F134-F145 HydrophobicContact CD1-CE1 4.42Å; F134-F145 HydrophobicContact CD1-CG 4.21Å; F134-F145 HydrophobicContact CD2-CB 3.15Å; F134-F145 HydrophobicContact CD2-CD1 4.14Å; F134-F145 AromaticContact CD2-CG 3.81Å; F134-F145 HydrophobicContact CD2-CG 3.81Å; F134-F145 HydrophobicContact CE1-CD1 4.35Å; F134-F145 HydrophobicContact CE2-CB 3.54Å; F134-F145 HydrophobicContact CE2-CG 4.49Å; F134-F145 HydrophobicContact CG-CB 3.51Å; F134-F145 AromaticContact CG-CD1 3.55Å; F134-F145 HydrophobicContact CG-CD1 3.55Å; F134-F145 HydrophobicContact CG-CD2 4.46Å; F134-F145 HydrophobicContact CG-CE1 4.38Å; F134-F145 AromaticContact CG-CG 3.6Å; F134-F145 HydrophobicContact CG-CG 3.6Å; F134-F145 HydrophobicContact CZ-CB 4.24Å; F145-E147 HydrophobicContact CD1-CB 4.23Å; F145-E147 HydrophobicContact CE1-CB 3.58Å; F145-E147 HydrophobicContact CE1-CG 3.85Å; F145-E147 HydrophobicContact CZ-CB 3.92Å; F145-E147 HydrophobicContact CZ-CG 4.06Å
146	H	89.7	Confident	91.5	Very high	174 Å²	174	67 Å²	67	81%	0.806	33%	0.331	S	S	*	.			trans	-100.8	108.1	172.2	-64.5	93.4	0	0	0	107.3	D148	H146-D148 PolarHBondContact O-N 3.39Å
147	E	87.4	Confident	91.2	Very high	64 Å²	64	62.6 Å²	62.6	30%	0.299	31%	0.311	S	S	.	.			trans	-74.9	124	-171.4	-177	167.7	-150.1	0	0	112.2	R131 F145 K149 T152	R131-E147 VanDerWaalsContact CZ-CD 3.41Å; R131-E147 IonicContact CZ-OE1 3.76Å; R131-E147 IonicContact CZ-OE2 3.02Å; R131-E147 IonicContact NE-OE1 3.55Å; R131-E147 IonicContact NH1-OE1 2.83Å; R131-E147 IonicContact NH1-OE2 3.99Å; R131-E147 PolarHBondContact NH1-OE2 3.26Å; R131-E147 VanDerWaalsContact NH1-OE2 3.12Å; R131-E147 IonicContact NH2-OE1 3.57Å; R131-E147 PolarHBondContact NH2-OE1 2.93Å; R131-E147 IonicContact NH2-OE2 2.66Å; R131-E147 PolarHBondContact NH2-OE2 2.99Å; F145-E147 HydrophobicContact CD1-CB 4.23Å; F145-E147 HydrophobicContact CE1-CB 3.58Å; F145-E147 HydrophobicContact CE1-CG 3.85Å; F145-E147 HydrophobicContact CZ-CB 3.92Å; F145-E147 HydrophobicContact CZ-CG 4.06Å; E147-K149 PolarHBondContact O-N 3.43Å; E147-T152 WeakPolarHBondContact CG-OG1 3.45Å; E147-T152 WeakPolarHBondContact OE1-CB 3.22Å; E147-T152 VanDerWaalsContact OE1-CG2 3.3Å; E147-T152 WeakPolarHBondContact OE1-CG2 3.41Å; E147-T152 PolarHBondContact OE1-OG1 3.15Å
148	D	88.6	Confident	90.9	Very high	77 Å²	77	68.4 Å²	68.4	41%	0.412	34%	0.338	S	S	.	.			trans	-77.3	101.2	161.1	-172.8	-32.9	0	0	0	109.2	H146 Q150 V151 T152	H146-D148 PolarHBondContact O-N 3.39Å; D148-Q150 VanDerWaalsContact C-N 3.26Å; D148-Q150 PolarHBondContact O-N 2.92Å; D148-Q150 WeakPolarHBondContact OD1-CB 3.35Å; D148-Q150 PolarHBondContact OD1-N 3.02Å; D148-V151 HydrophobicContact CB-CB 4.07Å; D148-V151 HydrophobicContact CB-CG2 4.1Å; D148-V151 PolarHBondContact O-N 3.37Å; D148-V151 PolarHBondContact OD1-N 2.94Å; D148-V151 VanDerWaalsContact OD1-N 3.09Å; D148-V151 WeakPolarHBondContact OD2-CG2 3.34Å; D148-T152 PolarHBondContact O-N 3.49Å; D148-T152 PolarHBondContact O-OG1 2.93Å
149	K	87.3	Confident	90.7	Very high	164 Å²	164	68.6 Å²	68.6	71%	0.713	34%	0.336	S	S	*	.	H	α-helix	trans	-60.4	-35.2	-178.3	-65.6	-176.7	-179	179.2	0	112.3	E147 V153	E147-K149 PolarHBondContact O-N 3.43Å; K149-V153 WeakPolarHBondContact O-CB 3.37Å; K149-V153 VanDerWaalsContact O-CG2 3.23Å; K149-V153 WeakPolarHBondContact O-CG2 2.99Å; K149-V153 PolarHBondContact O-N 3.26Å
150	Q	86.1	Confident	90.7	Very high	126 Å²	126	65.5 Å²	65.5	59%	0.589	31%	0.313	S	S	*	.	H	α-helix	trans	-68.2	-45.7	-179.8	-72.1	-168.5	-17.9	0	0	110.4	D148 T152 V153 A154	D148-Q150 VanDerWaalsContact C-N 3.26Å; D148-Q150 PolarHBondContact O-N 2.92Å; D148-Q150 WeakPolarHBondContact OD1-CB 3.35Å; D148-Q150 PolarHBondContact OD1-N 3.02Å; Q150-T152 PolarHBondContact O-N 3.4Å; Q150-V153 PolarHBondContact O-N 3.48Å; Q150-A154 WeakPolarHBondContact O-CB 3.39Å; Q150-A154 PolarHBondContact O-N 3.09Å
151	V	86.6	Confident	90.6	Very high	21 Å²	21	60.3 Å²	60.3	13%	0.127	30%	0.302	C	S	.	.	H	α-helix	trans	-62.6	-42.5	176.7	174.6	0	0	0	0	111.2	L27 T130 D148 A154 L155	L27-V151 HydrophobicContact CD2-CG1 3.94Å; T130-V151 HydrophobicContact CG2-CG1 4.22Å; D148-V151 HydrophobicContact CB-CB 4.07Å; D148-V151 HydrophobicContact CB-CG2 4.1Å; D148-V151 PolarHBondContact O-N 3.37Å; D148-V151 PolarHBondContact OD1-N 2.94Å; D148-V151 VanDerWaalsContact OD1-N 3.09Å; D148-V151 WeakPolarHBondContact OD2-CG2 3.34Å; V151-A154 PolarHBondContact O-N 2.77Å; V151-L155 HydrophobicContact CG1-CD1 3.96Å; V151-L155 HydrophobicContact CG1-CG 4.34Å; V151-L155 WeakPolarHBondContact O-CB 3.49Å; V151-L155 WeakPolarHBondContact O-CG 3.29Å; V151-L155 PolarHBondContact O-N 3.21Å
152	T	89.6	Confident	90.5	Very high	10 Å²	10	65.1 Å²	65.1	6%	0.061	33%	0.333	C	S	.	.	H	α-helix	trans	-60	-49.5	176.8	-67.6	0	0	0	0	111.9	E147 D148 Q150 A154 L155 R156	E147-T152 WeakPolarHBondContact CG-OG1 3.45Å; E147-T152 WeakPolarHBondContact OE1-CB 3.22Å; E147-T152 VanDerWaalsContact OE1-CG2 3.3Å; E147-T152 WeakPolarHBondContact OE1-CG2 3.41Å; E147-T152 PolarHBondContact OE1-OG1 3.15Å; D148-T152 PolarHBondContact O-N 3.49Å; D148-T152 PolarHBondContact O-OG1 2.93Å; Q150-T152 PolarHBondContact O-N 3.4Å; T152-A154 VanDerWaalsContact C-N 3.31Å; T152-A154 PolarHBondContact O-N 3.46Å; T152-L155 PolarHBondContact O-N 3.37Å; T152-R156 WeakPolarHBondContact O-CG 3.43Å; T152-R156 PolarHBondContact O-N 2.84Å
153	V	89.6	Confident	90.4	Very high	51 Å²	51	70.8 Å²	70.8	31%	0.309	36%	0.356	S	S	.	.	H	α-helix	trans	-64.4	-39.2	179.7	172.1	0	0	0	0	110.7	K149 Q150 R156 G157 E158 L159	K149-V153 WeakPolarHBondContact O-CB 3.37Å; K149-V153 VanDerWaalsContact O-CG2 3.23Å; K149-V153 WeakPolarHBondContact O-CG2 2.99Å; K149-V153 PolarHBondContact O-N 3.26Å; Q150-V153 PolarHBondContact O-N 3.48Å; V153-R156 PolarHBondContact O-N 2.85Å; V153-G157 PolarHBondContact O-N 2.99Å; V153-E158 VanDerWaalsContact CG1-C 3.49Å; V153-E158 HydrophobicContact CG1-CB 3.82Å; V153-E158 PolarHBondContact O-N 3.19Å; V153-L159 HydrophobicContact CG1-CB 4.47Å
154	A	88	Confident	90.3	Very high	3 Å²	3	74.9 Å²	74.9	3%	0.025	38%	0.375	C	S	.	.	H	α-helix	trans	-65.3	-39.7	176.8	0	0	0	0	0	113.2	P25 Q150 V151 T152 R156 G157 L159	P25-A154 HydrophobicContact CB-CB 4.25Å; P25-A154 WeakPolarHBondContact CD-O 3.32Å; P25-A154 HydrophobicContact CG-CB 3.67Å; Q150-A154 WeakPolarHBondContact O-CB 3.39Å; Q150-A154 PolarHBondContact O-N 3.09Å; V151-A154 PolarHBondContact O-N 2.77Å; T152-A154 VanDerWaalsContact C-N 3.31Å; T152-A154 PolarHBondContact O-N 3.46Å; A154-R156 PolarHBondContact O-N 2.76Å; A154-G157 PolarHBondContact O-N 2.96Å; A154-L159 HydrophobicContact CB-CB 4.06Å; A154-L159 HydrophobicContact CB-CD1 4.48Å; A154-L159 HydrophobicContact CB-CD2 3.92Å; A154-L159 HydrophobicContact CB-CG 4.39Å
155	L	89.8	Confident	90.4	Very high	59 Å²	59	76.4 Å²	76.4	31%	0.309	37%	0.374	S	S	.	.	H	α-helix	trans	-66.1	-26.5	175.3	-77.4	173.4	0	0	0	113.2	P25 L27 T130 V151 T152 G157	P25-L155 HydrophobicContact CG-CD2 4.29Å; P25-L155 HydrophobicContact CG-CG 4.5Å; L27-L155 HydrophobicContact CD1-CD1 4.27Å; L27-L155 HydrophobicContact CD1-CD2 3.89Å; L27-L155 HydrophobicContact CD1-CG 4.47Å; L27-L155 HydrophobicContact CG-CD2 4.48Å; T130-L155 HydrophobicContact CG2-CD1 4.36Å; V151-L155 HydrophobicContact CG1-CD1 3.96Å; V151-L155 HydrophobicContact CG1-CG 4.34Å; V151-L155 WeakPolarHBondContact O-CB 3.49Å; V151-L155 WeakPolarHBondContact O-CG 3.29Å; V151-L155 PolarHBondContact O-N 3.21Å; T152-L155 PolarHBondContact O-N 3.37Å; L155-G157 VanDerWaalsContact C-N 3.25Å
156	R	89.9	Confident	90.4	Very high	148 Å²	148	77.5 Å²	77.5	56%	0.558	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.4	-7.8	171.9	-65.7	176.6	-175	-179.2	0.1	113.3	T152 V153 A154 E158	T152-R156 WeakPolarHBondContact O-CG 3.43Å; T152-R156 PolarHBondContact O-N 2.84Å; V153-R156 PolarHBondContact O-N 2.85Å; A154-R156 PolarHBondContact O-N 2.76Å; R156-E158 VanDerWaalsContact C-N 3.26Å; R156-E158 HydrophobicContact CB-CB 4.35Å; R156-E158 HydrophobicContact CB-CG 3.94Å
157	G	88.3	Confident	90.8	Very high	12 Å²	12	71.6 Å²	71.6	12%	0.124	36%	0.364	C	S	.	.	T	Hydrogen-bonded Turn	trans	75.5	16.4	-174.4	0	0	0	0	0	113.8	V22 V153 A154 L155	V22-G157 VanDerWaalsContact CG1-CA 3.41Å; V153-G157 PolarHBondContact O-N 2.99Å; A154-G157 PolarHBondContact O-N 2.96Å; L155-G157 VanDerWaalsContact C-N 3.25Å
158	E	90	Very high	91.3	Very high	123 Å²	123	68.8 Å²	68.8	58%	0.575	35%	0.351	S	S	*	.			trans	-101.9	4.6	-172.7	-68.1	170.7	-176.4	0	0	112.4	V153 R156 F160	V153-E158 VanDerWaalsContact CG1-C 3.49Å; V153-E158 HydrophobicContact CG1-CB 3.82Å; V153-E158 PolarHBondContact O-N 3.19Å; R156-E158 VanDerWaalsContact C-N 3.26Å; R156-E158 HydrophobicContact CB-CB 4.35Å; R156-E158 HydrophobicContact CB-CG 3.94Å; E158-F160 VanDerWaalsContact C-N 3.33Å; E158-F160 PolarHBondContact O-N 3.06Å
159	L	91.7	Very high	91.7	Very high	44 Å²	44	68.4 Å²	68.4	23%	0.23	35%	0.346	C	S	.	.	S	Bend	trans	-66.4	-34.6	-174.9	-173.8	68.6	0	0	0	113.1	V153 A154 Y318	V153-L159 HydrophobicContact CG1-CB 4.47Å; A154-L159 HydrophobicContact CB-CB 4.06Å; A154-L159 HydrophobicContact CB-CD1 4.48Å; A154-L159 HydrophobicContact CB-CD2 3.92Å; A154-L159 HydrophobicContact CB-CG 4.39Å; L159-Y318 HydrophobicContact CD2-CD1 4.43Å; L159-Y318 HydrophobicContact CD2-CE1 3.37Å; L159-Y318 WeakPolarHBondContact CD2-OH 3.35Å
160	F	93.3	Very high	92.2	Very high	20 Å²	20	64.3 Å²	64.3	9%	0.088	34%	0.335	C	S	.	.	S	Bend	trans	-110.1	118.9	-176.7	-58.1	-74.2	0	0	0	110.4	A23 E158 Q164 R165 M168 F289 Y318	A23-F160 HydrophobicContact CB-CD2 3.94Å; A23-F160 HydrophobicContact CB-CE2 3.91Å; E158-F160 VanDerWaalsContact C-N 3.33Å; E158-F160 PolarHBondContact O-N 3.06Å; F160-Q164 HydrophobicContact CB-CB 4.31Å; F160-R165 HydrophobicContact CB-CG 3.87Å; F160-M168 HydrophobicContact CB-SD 3.85Å; F160-M168 HydrophobicContact CD1-CE 4.36Å; F160-M168 HydrophobicContact CD1-SD 3.75Å; F160-M168 HydrophobicContact CD2-CE 3.84Å; F160-M168 HydrophobicContact CD2-SD 4.04Å; F160-M168 HydrophobicContact CE1-CE 4.5Å; F160-M168 HydrophobicContact CE1-SD 4.32Å; F160-M168 HydrophobicContact CE2-CE 3.99Å; F160-M168 HydrophobicContact CG-CE 4.04Å; F160-M168 HydrophobicContact CG-SD 3.59Å; F160-M168 VanDerWaalsContact CG-SD 3.59Å; F160-M168 HydrophobicContact CZ-CE 4.33Å; F160-F289 HydrophobicContact CE1-CE1 4.26Å; F160-F289 HydrophobicContact CE1-CZ 4.3Å; F160-F289 AromaticContact CE2-CE1 3.99Å; F160-F289 HydrophobicContact CE2-CE1 3.99Å; F160-F289 AromaticContact CZ-CE1 3.57Å; F160-F289 HydrophobicContact CZ-CE1 3.57Å; F160-F289 AromaticContact CZ-CZ 3.94Å; F160-F289 HydrophobicContact CZ-CZ 3.94Å; F160-Y318 AromaticContact CE2-CD1 3.9Å; F160-Y318 HydrophobicContact CE2-CD1 3.9Å; F160-Y318 AromaticContact CE2-CE1 3.98Å; F160-Y318 HydrophobicContact CE2-CE1 3.98Å; F160-Y318 HydrophobicContact CE2-CG 4.26Å; F160-Y318 HydrophobicContact CZ-CD1 4.24Å; F160-Y318 HydrophobicContact CZ-CD2 4.33Å; F160-Y318 HydrophobicContact CZ-CE1 4.04Å; F160-Y318 HydrophobicContact CZ-CE2 4.13Å; F160-Y318 HydrophobicContact CZ-CG 4.39Å; F160-Y318 AromaticContact CZ-CZ 3.98Å
161	G	92.8	Very high	92.8	Very high	29 Å²	29	59.1 Å²	59.1	30%	0.299	31%	0.311	S	S	.	.			trans	-66.3	167.9	177.5	0	0	0	0	0	112.7	Q163 Q164 R165	G161-Q163 VanDerWaalsContact C-N 3.34Å; G161-Q163 PolarHBondContact O-N 2.83Å; G161-Q164 PolarHBondContact O-N 2.81Å; G161-Q164 VanDerWaalsContact O-N 3.16Å; G161-R165 WeakPolarHBondContact O-CG 3.46Å; G161-R165 PolarHBondContact O-N 3.34Å
162	P	92.3	Very high	93.4	Very high	101 Å²	101	58.1 Å²	58.1	66%	0.656	30%	0.304	S	S	*	.	H	α-helix	trans	-53.6	-44.5	-178	-27.1	34.9	0	0	0	114.2	R165 A166	P162-R165 PolarHBondContact O-N 2.72Å; P162-A166 PolarHBondContact O-N 3.24Å
163	Q	93.6	Very high	93.8	Very high	160 Å²	160	59.3 Å²	59.3	75%	0.748	32%	0.316	S	S	*	.	H	α-helix	trans	-64.8	-43.4	178.8	-172.4	-178.8	20.1	0	0	112.3	G161 R165 A166 L167	G161-Q163 VanDerWaalsContact C-N 3.34Å; G161-Q163 PolarHBondContact O-N 2.83Å; Q163-R165 VanDerWaalsContact C-N 3.34Å; Q163-R165 PolarHBondContact O-N 3.01Å; Q163-A166 PolarHBondContact O-N 2.82Å; Q163-L167 PolarHBondContact O-N 3.5Å
164	Q	94.6	Very high	94.2	Very high	93 Å²	93	58.1 Å²	58.1	44%	0.435	31%	0.309	S	S	.	.	H	α-helix	trans	-63.4	-41.3	176.6	-71.5	172.4	-32.8	0	0	111.2	F160 G161 A166 L167 M168	F160-Q164 HydrophobicContact CB-CB 4.31Å; G161-Q164 PolarHBondContact O-N 2.81Å; G161-Q164 VanDerWaalsContact O-N 3.16Å; Q164-A166 VanDerWaalsContact C-N 3.32Å; Q164-A166 PolarHBondContact O-N 2.99Å; Q164-L167 PolarHBondContact O-N 3.32Å; Q164-M168 WeakPolarHBondContact O-CB 3.44Å; Q164-M168 WeakPolarHBondContact O-CG 3.38Å; Q164-M168 PolarHBondContact O-N 3.47Å
165	R	95.1	Very high	94.7	Very high	91 Å²	91	58 Å²	58	34%	0.343	31%	0.308	S	S	.	.	H	α-helix	trans	-62.1	-38	175.5	-69	-171.8	-59.9	-179.4	0.7	112.3	W21 F160 G161 P162 Q163 L167 M168 H169	W21-R165 HydrophobicContact CH2-CB 4.04Å; W21-R165 HydrophobicContact CH2-CG 4.12Å; W21-R165 HydrophobicContact CZ2-CB 4.26Å; W21-R165 VanDerWaalsContact CZ2-O 3.27Å; W21-R165 WeakPolarHBondContact CZ2-O 3.46Å; W21-R165 HydrophobicContact CZ3-CG 4.48Å; F160-R165 HydrophobicContact CB-CG 3.87Å; G161-R165 WeakPolarHBondContact O-CG 3.46Å; G161-R165 PolarHBondContact O-N 3.34Å; P162-R165 PolarHBondContact O-N 2.72Å; Q163-R165 VanDerWaalsContact C-N 3.34Å; Q163-R165 PolarHBondContact O-N 3.01Å; R165-L167 VanDerWaalsContact C-N 3.34Å; R165-L167 PolarHBondContact O-N 2.54Å; R165-M168 PolarHBondContact O-N 3.22Å; R165-H169 WeakPolarHBondContact O-CB 3.22Å; R165-H169 PolarHBondContact O-N 3.27Å
166	A	94.9	Very high	95.1	Very high	58 Å²	58	55.5 Å²	55.5	48%	0.479	30%	0.295	S	S	.	.	H	α-helix	trans	-63.2	-39.2	175	0	0	0	0	0	112.6	P162 Q163 Q164 H169 T170	P162-A166 PolarHBondContact O-N 3.24Å; Q163-A166 PolarHBondContact O-N 2.82Å; Q164-A166 VanDerWaalsContact C-N 3.32Å; Q164-A166 PolarHBondContact O-N 2.99Å; A166-H169 WeakPolarHBondContact O-CB 3.33Å; A166-T170 PolarHBondContact O-N 3.22Å; A166-T170 VanDerWaalsContact O-N 3.17Å; A166-T170 PolarHBondContact O-OG1 2.93Å
167	L	96.8	Very high	95.5	Very high	49 Å²	49	51.2 Å²	51.2	26%	0.257	29%	0.292	S	S	.	.	H	α-helix	trans	-65.6	-50.3	173.3	-69.5	170.8	0	0	0	111.7	Q163 Q164 R165 H169 T170 F171 Q200	Q163-L167 PolarHBondContact O-N 3.5Å; Q164-L167 PolarHBondContact O-N 3.32Å; R165-L167 VanDerWaalsContact C-N 3.34Å; R165-L167 PolarHBondContact O-N 2.54Å; L167-H169 PolarHBondContact O-N 3.43Å; L167-T170 WeakPolarHBondContact O-CA 3.44Å; L167-T170 WeakPolarHBondContact O-CB 3.35Å; L167-T170 PolarHBondContact O-N 3.12Å; L167-F171 HydrophobicContact CB-CE2 3.82Å; L167-F171 HydrophobicContact CB-CZ 4.07Å; L167-F171 HydrophobicContact CD2-CZ 4.39Å; L167-F171 VanDerWaalsContact O-CD2 3.26Å; L167-F171 WeakPolarHBondContact O-CD2 3.4Å; L167-F171 VanDerWaalsContact O-CG 3.27Å; L167-F171 WeakPolarHBondContact O-CG 3.13Å; L167-F171 PolarHBondContact O-N 3.24Å; L167-Q200 HydrophobicContact CD1-CG 4.43Å; L167-Q200 VanDerWaalsContact CD1-OE1 3.25Å
168	M	97.8	Very high	96	Very high	5 Å²	5	50.8 Å²	50.8	3%	0.025	29%	0.287	C	S	.	.	H	α-helix	trans	-55.1	-40.2	175.7	-68.9	166.6	76	0	0	112.3	W21 A23 F160 Q164 R165 T170 F171 M172 Y267 F289 V321	W21-M168 HydrophobicContact CH2-CB 3.54Å; W21-M168 HydrophobicContact CH2-CE 3.8Å; W21-M168 HydrophobicContact CH2-CG 4.36Å; W21-M168 HydrophobicContact CH2-SD 3.95Å; W21-M168 HydrophobicContact CZ2-CB 3.99Å; W21-M168 HydrophobicContact CZ3-CE 3.85Å; W21-M168 HydrophobicContact CZ3-SD 4.46Å; A23-M168 HydrophobicContact CB-CE 3.86Å; F160-M168 HydrophobicContact CB-SD 3.85Å; F160-M168 HydrophobicContact CD1-CE 4.36Å; F160-M168 HydrophobicContact CD1-SD 3.75Å; F160-M168 HydrophobicContact CD2-CE 3.84Å; F160-M168 HydrophobicContact CD2-SD 4.04Å; F160-M168 HydrophobicContact CE1-CE 4.5Å; F160-M168 HydrophobicContact CE1-SD 4.32Å; F160-M168 HydrophobicContact CE2-CE 3.99Å; F160-M168 HydrophobicContact CG-CE 4.04Å; F160-M168 HydrophobicContact CG-SD 3.59Å; F160-M168 VanDerWaalsContact CG-SD 3.59Å; F160-M168 HydrophobicContact CZ-CE 4.33Å; Q164-M168 WeakPolarHBondContact O-CB 3.44Å; Q164-M168 WeakPolarHBondContact O-CG 3.38Å; Q164-M168 PolarHBondContact O-N 3.47Å; R165-M168 PolarHBondContact O-N 3.22Å; M168-T170 VanDerWaalsContact C-N 3.32Å; M168-T170 PolarHBondContact O-N 2.93Å; M168-F171 PolarHBondContact O-N 3.22Å; M168-M172 WeakPolarHBondContact O-CB 3.34Å; M168-M172 PolarHBondContact O-N 3.21Å; M168-Y267 HydrophobicContact CB-CE1 3.95Å; M168-Y267 HydrophobicContact CG-CE1 4.03Å; M168-Y267 WeakPolarHBondContact CG-OH 3.43Å; M168-F289 HydrophobicContact CE-CD1 3.69Å; M168-F289 HydrophobicContact CE-CE1 3.6Å; M168-F289 HydrophobicContact CE-CZ 4.47Å; M168-V321 HydrophobicContact CE-CG2 3.98Å
169	H	97.7	Very high	96.4	Very high	69 Å²	69	44.9 Å²	44.9	32%	0.319	26%	0.26	S	S	.	.	H	α-helix	trans	-58.4	-46.3	174	178.1	-73	0	0	0	110.4	W21 R165 A166 L167 A173	W21-H169 HydrophobicContact CZ2-CB 4Å; W21-H169 AromaticContact NE1-CD2 3.6Å; R165-H169 WeakPolarHBondContact O-CB 3.22Å; R165-H169 PolarHBondContact O-N 3.27Å; A166-H169 WeakPolarHBondContact O-CB 3.33Å; L167-H169 PolarHBondContact O-N 3.43Å; H169-A173 WeakPolarHBondContact O-CB 2.75Å; H169-A173 PolarHBondContact O-N 3.14Å
170	T	97.9	Very high	96.7	Very high	79 Å²	79	49.3 Å²	49.3	49%	0.485	27%	0.273	S	S	.	.	H	α-helix	trans	-66	-40.2	-179.3	-55.5	0	0	0	0	111.9	A166 L167 M168 S174	A166-T170 PolarHBondContact O-N 3.22Å; A166-T170 VanDerWaalsContact O-N 3.17Å; A166-T170 PolarHBondContact O-OG1 2.93Å; L167-T170 WeakPolarHBondContact O-CA 3.44Å; L167-T170 WeakPolarHBondContact O-CB 3.35Å; L167-T170 PolarHBondContact O-N 3.12Å; M168-T170 VanDerWaalsContact C-N 3.32Å; M168-T170 PolarHBondContact O-N 2.93Å; T170-S174 PolarHBondContact O-N 3.38Å; T170-S174 VanDerWaalsContact O-N 3.1Å; T170-S174 PolarHBondContact O-OG 3.17Å
171	F	98.5	Very high	96.8	Very high	16 Å²	16	49.6 Å²	49.6	7%	0.07	28%	0.279	C	S	.	.	H	α-helix	trans	-66.3	-47.9	176.6	-55.8	-35.1	0	0	0	111.9	L167 M168 A173 S174 A175 V195 Q200 I202 Y267	L167-F171 HydrophobicContact CB-CE2 3.82Å; L167-F171 HydrophobicContact CB-CZ 4.07Å; L167-F171 HydrophobicContact CD2-CZ 4.39Å; L167-F171 VanDerWaalsContact O-CD2 3.26Å; L167-F171 WeakPolarHBondContact O-CD2 3.4Å; L167-F171 VanDerWaalsContact O-CG 3.27Å; L167-F171 WeakPolarHBondContact O-CG 3.13Å; L167-F171 PolarHBondContact O-N 3.24Å; M168-F171 PolarHBondContact O-N 3.22Å; F171-A173 PolarHBondContact O-N 3.06Å; F171-S174 WeakPolarHBondContact O-CB 3.34Å; F171-S174 PolarHBondContact O-N 3.18Å; F171-A175 PolarHBondContact O-N 2.94Å; F171-V195 HydrophobicContact CB-CG2 3.97Å; F171-V195 HydrophobicContact CD1-CG1 4.45Å; F171-V195 HydrophobicContact CD1-CG2 3.85Å; F171-V195 HydrophobicContact CD2-CG1 4.07Å; F171-V195 HydrophobicContact CD2-CG2 3.99Å; F171-V195 HydrophobicContact CE1-CG1 4.15Å; F171-V195 HydrophobicContact CE1-CG2 4.33Å; F171-V195 HydrophobicContact CE2-CG1 3.74Å; F171-V195 HydrophobicContact CE2-CG2 4.45Å; F171-V195 HydrophobicContact CG-CG1 4.43Å; F171-V195 HydrophobicContact CG-CG2 3.67Å; F171-V195 HydrophobicContact CZ-CG1 3.79Å; F171-Q200 HydrophobicContact CZ-CB 4.42Å; F171-Q200 WeakPolarHBondContact CZ-O 3.46Å; F171-I202 HydrophobicContact CD1-CD1 4.09Å; F171-I202 HydrophobicContact CD1-CG1 3.7Å; F171-I202 HydrophobicContact CE1-CG1 4.14Å; F171-Y267 HydrophobicContact CB-CD1 4.07Å; F171-Y267 HydrophobicContact CB-CD2 3.64Å; F171-Y267 HydrophobicContact CB-CE1 4.24Å; F171-Y267 HydrophobicContact CB-CE2 3.8Å; F171-Y267 HydrophobicContact CB-CG 3.79Å; F171-Y267 HydrophobicContact CD2-CD2 4.31Å; F171-Y267 HydrophobicContact CD2-CE1 4.42Å; F171-Y267 AromaticContact CD2-CE2 3.6Å; F171-Y267 HydrophobicContact CD2-CE2 3.6Å; F171-Y267 AromaticContact CD2-CZ 3.68Å; F171-Y267 HydrophobicContact CG-CD2 4.33Å; F171-Y267 HydrophobicContact CG-CE2 4.07Å
172	M	98.6	Very high	97	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-66.8	-36.7	176.1	-174	60.2	81.4	0	0	112.1	M168 S174 A175 V176 Y267 V268 T269 F289 V321 L322	M168-M172 WeakPolarHBondContact O-CB 3.34Å; M168-M172 PolarHBondContact O-N 3.21Å; M172-S174 PolarHBondContact O-N 3.35Å; M172-A175 WeakPolarHBondContact O-CA 3.37Å; M172-A175 WeakPolarHBondContact O-CB 3.32Å; M172-A175 PolarHBondContact O-N 3.01Å; M172-A175 VanDerWaalsContact O-N 3.07Å; M172-A175 HydrophobicContact SD-CB 4.19Å; M172-V176 HydrophobicContact CG-CG2 4.48Å; M172-V176 WeakPolarHBondContact O-CG2 3.48Å; M172-V176 PolarHBondContact O-N 3.02Å; M172-Y267 HydrophobicContact CB-CD1 4.27Å; M172-Y267 HydrophobicContact CE-CD1 4.34Å; M172-V268 WeakPolarHBondContact CE-O 3.5Å; M172-T269 HydrophobicContact SD-CG2 4.37Å; M172-F289 WeakPolarHBondContact CE-O 3.27Å; M172-V321 HydrophobicContact CB-CG1 3.67Å; M172-V321 HydrophobicContact CE-CB 3.92Å; M172-V321 HydrophobicContact CE-CG1 4.16Å; M172-V321 HydrophobicContact CG-CG1 3.97Å; M172-L322 HydrophobicContact CB-CD1 3.85Å; M172-L322 HydrophobicContact CB-CG 4.26Å; M172-L322 HydrophobicContact CG-CB 3.83Å; M172-L322 HydrophobicContact CG-CD1 3.8Å; M172-L322 HydrophobicContact CG-CG 4.04Å
173	A	98.3	Very high	97.1	Very high	36 Å²	36	45.7 Å²	45.7	30%	0.298	25%	0.253	S	S	.	.	H	α-helix	trans	-60.7	-34.6	174.9	0	0	0	0	0	112	H169 F171 V176 A177 L322	H169-A173 WeakPolarHBondContact O-CB 2.75Å; H169-A173 PolarHBondContact O-N 3.14Å; F171-A173 PolarHBondContact O-N 3.06Å; A173-V176 PolarHBondContact O-N 3.33Å; A173-A177 WeakPolarHBondContact O-CB 3.47Å; A173-A177 PolarHBondContact O-N 3.3Å; A173-L322 HydrophobicContact CB-CD1 4.27Å
174	S	98.5	Very high	97.2	Very high	25 Å²	25	46 Å²	46	18%	0.175	25%	0.254	C	S	.	.	H	α-helix	trans	-64.9	-41.1	173.2	-60.5	0	0	0	0	111.9	T170 F171 M172 A177 A178 I202	T170-S174 PolarHBondContact O-N 3.38Å; T170-S174 VanDerWaalsContact O-N 3.1Å; T170-S174 PolarHBondContact O-OG 3.17Å; F171-S174 WeakPolarHBondContact O-CB 3.34Å; F171-S174 PolarHBondContact O-N 3.18Å; M172-S174 PolarHBondContact O-N 3.35Å; S174-A177 PolarHBondContact O-N 3.31Å; S174-A178 PolarHBondContact O-N 3.26Å; S174-A178 VanDerWaalsContact O-N 3.1Å; S174-I202 WeakPolarHBondContact OG-CD1 3.21Å
175	A	98.7	Very high	97.1	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-64.7	-42.2	173.1	0	0	0	0	0	111.9	F171 M172 A177 A178 A179 G191 A193 T269	F171-A175 PolarHBondContact O-N 2.94Å; M172-A175 WeakPolarHBondContact O-CA 3.37Å; M172-A175 WeakPolarHBondContact O-CB 3.32Å; M172-A175 PolarHBondContact O-N 3.01Å; M172-A175 VanDerWaalsContact O-N 3.07Å; M172-A175 HydrophobicContact SD-CB 4.19Å; A175-A177 PolarHBondContact O-N 3.19Å; A175-A178 PolarHBondContact O-N 2.94Å; A175-A179 WeakPolarHBondContact O-CB 3.37Å; A175-A179 PolarHBondContact O-N 2.95Å; A175-G191 WeakPolarHBondContact O-CA 3.36Å; A175-A193 HydrophobicContact CB-CB 4.39Å; A175-T269 HydrophobicContact CB-CG2 4.03Å
176	V	98.5	Very high	97	Very high	7 Å²	7	45.7 Å²	45.7	4%	0.042	28%	0.279	C	S	.	.	H	α-helix	trans	-61.2	-42.3	174.8	171.1	0	0	0	0	111.6	M172 A173 A178 A179 R180 T269 L329	M172-V176 HydrophobicContact CG-CG2 4.48Å; M172-V176 WeakPolarHBondContact O-CG2 3.48Å; M172-V176 PolarHBondContact O-N 3.02Å; A173-V176 PolarHBondContact O-N 3.33Å; V176-A178 VanDerWaalsContact C-N 3.34Å; V176-A178 PolarHBondContact O-N 3.3Å; V176-A179 WeakPolarHBondContact O-CB 3.39Å; V176-A179 PolarHBondContact O-N 3.16Å; V176-R180 WeakPolarHBondContact O-CG 3.4Å; V176-R180 PolarHBondContact O-N 2.85Å; V176-T269 HydrophobicContact CB-CG2 4.37Å; V176-T269 HydrophobicContact CG2-CG2 3.75Å; V176-L329 HydrophobicContact CG1-CD1 4.38Å; V176-L329 HydrophobicContact CG2-CD1 4.48Å
177	A	98.4	Very high	96.9	Very high	59 Å²	59	44.2 Å²	44.2	49%	0.488	26%	0.263	S	S	.	.	H	α-helix	trans	-62.1	-42.4	176.2	0	0	0	0	0	111.8	A173 S174 A175 R180 A181	A173-A177 WeakPolarHBondContact O-CB 3.47Å; A173-A177 PolarHBondContact O-N 3.3Å; S174-A177 PolarHBondContact O-N 3.31Å; A175-A177 PolarHBondContact O-N 3.19Å; A177-R180 PolarHBondContact O-N 2.8Å; A177-A181 PolarHBondContact O-N 3.19Å
178	A	98.4	Very high	96.8	Very high	2 Å²	2	45.8 Å²	45.8	2%	0.017	27%	0.269	C	S	.	.	H	α-helix	trans	-64.1	-40.4	175.2	0	0	0	0	0	112.3	S174 A175 V176 R180 A181 A182 V205 H207 A242	S174-A178 PolarHBondContact O-N 3.26Å; S174-A178 VanDerWaalsContact O-N 3.1Å; A175-A178 PolarHBondContact O-N 2.94Å; V176-A178 VanDerWaalsContact C-N 3.34Å; V176-A178 PolarHBondContact O-N 3.3Å; A178-R180 VanDerWaalsContact C-N 3.34Å; A178-R180 PolarHBondContact O-N 2.83Å; A178-A181 WeakPolarHBondContact O-CB 3.48Å; A178-A181 PolarHBondContact O-N 2.83Å; A178-A182 PolarHBondContact O-N 2.79Å; A178-V205 HydrophobicContact CB-CG1 3.59Å; A178-H207 HydrophobicContact CB-CB 4.2Å; A178-H207 WeakPolarHBondContact O-CB 3.18Å; A178-A242 HydrophobicContact CB-CB 4.3Å
179	A	98.3	Very high	96.7	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-60.7	-41.7	174.8	0	0	0	0	0	112.5	A175 V176 A182 A183 T269 L329	A175-A179 WeakPolarHBondContact O-CB 3.37Å; A175-A179 PolarHBondContact O-N 2.95Å; V176-A179 WeakPolarHBondContact O-CB 3.39Å; V176-A179 PolarHBondContact O-N 3.16Å; A179-A182 WeakPolarHBondContact O-CB 3.27Å; A179-A182 PolarHBondContact O-N 3.3Å; A179-A183 PolarHBondContact O-N 3.09Å; A179-T269 HydrophobicContact CB-CG2 4.14Å; A179-L329 HydrophobicContact CB-CD1 3.61Å; A179-L329 HydrophobicContact CB-CD2 4.32Å
180	R	97.6	Very high	96.8	Very high	137 Å²	137	43.6 Å²	43.6	52%	0.517	26%	0.263	S	S	.	.	H	α-helix	trans	-65	-39.1	175.5	-70.5	174.4	-179.5	176.8	0.3	112	V176 A177 A178 A182 A183 Q184 L329	V176-R180 WeakPolarHBondContact O-CG 3.4Å; V176-R180 PolarHBondContact O-N 2.85Å; A177-R180 PolarHBondContact O-N 2.8Å; A178-R180 VanDerWaalsContact C-N 3.34Å; A178-R180 PolarHBondContact O-N 2.83Å; R180-A182 VanDerWaalsContact C-N 3.33Å; R180-A183 PolarHBondContact O-N 3.25Å; R180-Q184 WeakPolarHBondContact O-CG 3.36Å; R180-Q184 PolarHBondContact O-N 2.94Å; R180-L329 HydrophobicContact CG-CD2 3.73Å
181	A	96.5	Very high	96.8	Very high	26 Å²	26	39.9 Å²	39.9	22%	0.215	24%	0.239	C	C	.	.	H	α-helix	trans	-63.2	-39.7	174.8	0	0	0	0	0	111.7	A177 A178 Q184 L185 A242	A177-A181 PolarHBondContact O-N 3.19Å; A178-A181 WeakPolarHBondContact O-CB 3.48Å; A178-A181 PolarHBondContact O-N 2.83Å; A181-Q184 PolarHBondContact O-N 3.42Å; A181-L185 WeakPolarHBondContact O-CG 3.43Å; A181-L185 PolarHBondContact O-N 2.79Å; A181-A242 HydrophobicContact CB-CB 3.79Å
182	A	95.9	Very high	96.8	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-60.6	-46.1	173.5	0	0	0	0	0	112	A178 A179 R180 Q184 L185 G186 M187 E188 H207	A178-A182 PolarHBondContact O-N 2.79Å; A179-A182 WeakPolarHBondContact O-CB 3.27Å; A179-A182 PolarHBondContact O-N 3.3Å; R180-A182 VanDerWaalsContact C-N 3.33Å; A182-Q184 VanDerWaalsContact C-N 3.3Å; A182-Q184 PolarHBondContact O-N 2.98Å; A182-L185 CarbonylContact O-C 3.6Å; A182-L185 WeakPolarHBondContact O-CA 3.44Å; A182-L185 WeakPolarHBondContact O-CB 3.42Å; A182-L185 PolarHBondContact O-N 2.89Å; A182-G186 PolarHBondContact O-N 2.94Å; A182-M187 HydrophobicContact CB-CB 4.14Å; A182-M187 WeakPolarHBondContact O-CB 3.21Å; A182-M187 PolarHBondContact O-N 2.91Å; A182-E188 WeakPolarHBondContact CB-O 3.45Å; A182-H207 HydrophobicContact CB-CB 3.83Å; A182-H207 WeakPolarHBondContact CB-ND1 3.47Å
183	A	95.2	Very high	96.8	Very high	48 Å²	48	39.1 Å²	39.1	40%	0.397	24%	0.236	S	C	.	.	H	α-helix	trans	-59.1	-40.1	177.9	0	0	0	0	0	112.5	A179 R180 L185 G186 M187 A189	A179-A183 PolarHBondContact O-N 3.09Å; R180-A183 PolarHBondContact O-N 3.25Å; A183-L185 PolarHBondContact O-N 3.15Å; A183-G186 PolarHBondContact O-N 2.9Å; A183-M187 WeakPolarHBondContact CA-O 3.5Å; A183-A189 HydrophobicContact CB-CB 3.96Å
184	Q	94.5	Very high	96.8	Very high	167 Å²	167	37.5 Å²	37.5	78%	0.78	22%	0.223	S	C	*	.	H	α-helix	trans	-63.4	-25.4	175.6	-72.2	173.4	-1.9	0	0	113.2	R180 A181 A182 G186	R180-Q184 WeakPolarHBondContact O-CG 3.36Å; R180-Q184 PolarHBondContact O-N 2.94Å; A181-Q184 PolarHBondContact O-N 3.42Å; A182-Q184 VanDerWaalsContact C-N 3.3Å; A182-Q184 PolarHBondContact O-N 2.98Å; Q184-G186 VanDerWaalsContact C-N 3.32Å
185	L	93.3	Very high	96.8	Very high	103 Å²	103	36.3 Å²	36.3	54%	0.539	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.9	8.1	175.9	-62.6	172.2	0	0	0	112.7	A181 A182 A183 M187 Y240	A181-L185 WeakPolarHBondContact O-CG 3.43Å; A181-L185 PolarHBondContact O-N 2.79Å; A182-L185 CarbonylContact O-C 3.6Å; A182-L185 WeakPolarHBondContact O-CA 3.44Å; A182-L185 WeakPolarHBondContact O-CB 3.42Å; A182-L185 PolarHBondContact O-N 2.89Å; A183-L185 PolarHBondContact O-N 3.15Å; L185-M187 VanDerWaalsContact C-N 3.25Å; L185-M187 HydrophobicContact CB-CE 3.46Å; L185-M187 VanDerWaalsContact CB-CE 3.46Å; L185-M187 HydrophobicContact CD1-CE 3.49Å; L185-M187 VanDerWaalsContact CD1-CE 3.49Å; L185-M187 HydrophobicContact CG-CE 4.13Å; L185-M187 PolarHBondContact O-N 3.41Å; L185-Y240 HydrophobicContact CD1-CD1 3.92Å; L185-Y240 HydrophobicContact CD1-CE1 4.42Å
186	G	92.6	Very high	96.7	Very high	74 Å²	74	37.5 Å²	37.5	76%	0.763	22%	0.221	S	C	*	.	T	Hydrogen-bonded Turn	trans	72.5	16.3	-177.4	0	0	0	0	0	114.1	A182 A183 Q184	A182-G186 PolarHBondContact O-N 2.94Å; A183-G186 PolarHBondContact O-N 2.9Å; Q184-G186 VanDerWaalsContact C-N 3.32Å
187	M	92.8	Very high	96.5	Very high	26 Å²	26	39.2 Å²	39.2	13%	0.128	23%	0.232	C	C	.	.	S	Bend	trans	-95.2	164.9	174	-68.2	-178.7	-92.1	0	0	110.8	A182 A183 L185 A189 D208 R209 Y240	A182-M187 HydrophobicContact CB-CB 4.14Å; A182-M187 WeakPolarHBondContact O-CB 3.21Å; A182-M187 PolarHBondContact O-N 2.91Å; A183-M187 WeakPolarHBondContact CA-O 3.5Å; L185-M187 VanDerWaalsContact C-N 3.25Å; L185-M187 HydrophobicContact CB-CE 3.46Å; L185-M187 VanDerWaalsContact CB-CE 3.46Å; L185-M187 HydrophobicContact CD1-CE 3.49Å; L185-M187 VanDerWaalsContact CD1-CE 3.49Å; L185-M187 HydrophobicContact CG-CE 4.13Å; L185-M187 PolarHBondContact O-N 3.41Å; M187-A189 PolarHBondContact O-N 2.82Å; M187-D208 VanDerWaalsContact SD-O 3.37Å; M187-R209 HydrophobicContact SD-CB 4.48Å; M187-R209 HydrophobicContact SD-CG 4.29Å; M187-Y240 HydrophobicContact CE-CD1 3.91Å; M187-Y240 HydrophobicContact CE-CE1 3.6Å
188	E	94.4	Very high	96.2	Very high	82 Å²	82	44.9 Å²	44.9	38%	0.383	25%	0.248	S	C	.	.			trans	-57.2	133	174.9	-74.1	-93.8	135	0	0	111.6	A182 V190 D208 R210 R270	A182-E188 WeakPolarHBondContact CB-O 3.45Å; E188-V190 PolarHBondContact O-N 3.35Å; E188-D208 HydrophobicContact CB-CB 3.99Å; E188-D208 VanDerWaalsContact O-CB 3.32Å; E188-D208 WeakPolarHBondContact O-CB 3.44Å; E188-R210 VanDerWaalsContact CB-NH2 3.25Å; E188-R210 IonicContact OE2-CZ 2.73Å; E188-R210 IonicContact OE2-NH1 3.19Å; E188-R210 IonicContact OE2-NH2 2.76Å; E188-R210 PolarHBondContact OE2-NH2 3.24Å; E188-R270 IonicContact OE2-CZ 3.19Å; E188-R270 IonicContact OE2-NH1 3.07Å; E188-R270 PolarHBondContact OE2-NH1 2.88Å; E188-R270 IonicContact OE2-NH2 3.6Å; E188-R270 PolarHBondContact OE2-NH2 3.36Å
189	A	97	Very high	96	Very high	19 Å²	19	48 Å²	48	16%	0.157	27%	0.267	C	S	.	.	S	Bend	trans	-77.2	60.5	-174.9	0	0	0	0	0	112.9	A183 M187 L329	A183-A189 HydrophobicContact CB-CB 3.96Å; M187-A189 PolarHBondContact O-N 2.82Å; A189-L329 HydrophobicContact CB-CB 4.07Å; A189-L329 HydrophobicContact CB-CD2 4.47Å
190	V	98.2	Very high	95.9	Very high	10 Å²	10	53 Å²	53	6%	0.061	29%	0.291	C	S	.	.			trans	-121.2	131.1	176.2	-171.4	0	0	0	0	110.2	E188 H207 D208 A218 V268 R270	E188-V190 PolarHBondContact O-N 3.35Å; V190-H207 CarbonylContact O-C 3.53Å; V190-H207 VanDerWaalsContact O-CA 3.26Å; V190-H207 WeakPolarHBondContact O-CA 3.38Å; V190-H207 WeakPolarHBondContact O-CB 3.43Å; V190-D208 HydrophobicContact CB-CB 4.18Å; V190-D208 PolarHBondContact O-N 3.31Å; V190-A218 HydrophobicContact CB-CB 4.35Å; V190-A218 HydrophobicContact CG1-CB 3.88Å; V190-V268 HydrophobicContact CG1-CG2 4.36Å; V190-R270 HydrophobicContact CG1-CB 4.02Å; V190-R270 HydrophobicContact CG2-CB 4.15Å
191	G	98.6	Very high	95.8	Very high	0 Å²	0	53.5 Å²	53.5	0%	0	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	155.1	178.7	0	0	0	0	0	111.3	A175 G206 V268 T269	A175-G191 WeakPolarHBondContact O-CA 3.36Å; G191-G206 CarbonylContact C-O 3.49Å; G191-G206 WeakPolarHBondContact CA-O 3.5Å; G191-V268 WeakPolarHBondContact O-CA 3.24Å; G191-T269 PolarHBondContact N-OG1 2.88Å; G191-T269 VanDerWaalsContact N-OG1 3.07Å; G191-T269 PolarHBondContact O-N 3.47Å; G191-T269 PolarHBondContact O-OG1 3.4Å
192	A	98.9	Very high	95.8	Very high	0 Å²	0	54.4 Å²	54.4	0%	0	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	151.8	-178.8	0	0	0	0	0	110.9	V205 G206 A218 C222 L266 Y267 V268	A192-V205 WeakPolarHBondContact O-CA 3.22Å; A192-G206 PolarHBondContact N-O 3.02Å; A192-G206 PolarHBondContact O-N 3.24Å; A192-A218 HydrophobicContact CB-CB 3.97Å; A192-C222 HydrophobicContact CB-CB 4.41Å; A192-C222 PolarHBondContact O-SG 3.09Å; A192-L266 HydrophobicContact CB-CD1 4.04Å; A192-Y267 CarbonylContact C-O 3.58Å; A192-Y267 WeakPolarHBondContact CA-O 3.3Å; A192-V268 HydrophobicContact CB-CB 4.32Å; A192-V268 HydrophobicContact CB-CG2 4.14Å
193	A	98.8	Very high	95.8	Very high	0 Å²	0	55.2 Å²	55.2	0%	0	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	131.8	171	0	0	0	0	0	109.8	A175 I202 T204 V205 Y267	A175-A193 HydrophobicContact CB-CB 4.39Å; A193-I202 HydrophobicContact CB-CG2 4.48Å; A193-T204 CarbonylContact C-O 3.6Å; A193-T204 WeakPolarHBondContact CA-O 3.25Å; A193-V205 HydrophobicContact CB-CG2 4.29Å; A193-Y267 PolarHBondContact N-O 2.88Å; A193-Y267 PolarHBondContact O-N 3.08Å
194	V	98.6	Very high	95.9	Very high	2 Å²	2	53 Å²	53	1%	0.012	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	132.4	172.1	-179.5	0	0	0	0	108.3	I202 V203 T204 C222 V226 Y264 D265 L266	V194-I202 CarbonylContact O-C 3.5Å; V194-V203 HydrophobicContact CG1-CB 4.48Å; V194-V203 PolarHBondContact O-N 3.11Å; V194-T204 WeakPolarHBondContact CB-OG1 3.21Å; V194-T204 WeakPolarHBondContact CG2-OG1 3.39Å; V194-T204 PolarHBondContact N-O 3.48Å; V194-T204 PolarHBondContact O-N 3.22Å; V194-C222 HydrophobicContact CG2-CB 3.78Å; V194-V226 HydrophobicContact CB-CG2 4.08Å; V194-V226 HydrophobicContact CG1-CG2 3.95Å; V194-V226 HydrophobicContact CG2-CG2 4.16Å; V194-Y264 HydrophobicContact CG1-CD2 3.64Å; V194-Y264 HydrophobicContact CG1-CG 4.07Å; V194-D265 CarbonylContact C-O 3.57Å; V194-D265 WeakPolarHBondContact CA-O 3.49Å; V194-L266 HydrophobicContact CG2-CD1 3.94Å
195	V	98.1	Very high	96.1	Very high	1 Å²	1	45.2 Å²	45.2	1%	0.006	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	136.4	-173.9	177	0	0	0	0	108.9	F171 P197 R201 I202 Y264 D265 Y267	F171-V195 HydrophobicContact CB-CG2 3.97Å; F171-V195 HydrophobicContact CD1-CG1 4.45Å; F171-V195 HydrophobicContact CD1-CG2 3.85Å; F171-V195 HydrophobicContact CD2-CG1 4.07Å; F171-V195 HydrophobicContact CD2-CG2 3.99Å; F171-V195 HydrophobicContact CE1-CG1 4.15Å; F171-V195 HydrophobicContact CE1-CG2 4.33Å; F171-V195 HydrophobicContact CE2-CG1 3.74Å; F171-V195 HydrophobicContact CE2-CG2 4.45Å; F171-V195 HydrophobicContact CG-CG1 4.43Å; F171-V195 HydrophobicContact CG-CG2 3.67Å; F171-V195 HydrophobicContact CZ-CG1 3.79Å; V195-P197 WeakPolarHBondContact O-CD 3.46Å; V195-R201 WeakPolarHBondContact CA-O 3.44Å; V195-R201 WeakPolarHBondContact CG1-O 3.48Å; V195-I202 HydrophobicContact CG2-CG1 4.09Å; V195-Y264 WeakPolarHBondContact O-CB 3.46Å; V195-D265 HydrophobicContact CB-CB 4.31Å; V195-D265 PolarHBondContact N-O 3.08Å; V195-D265 PolarHBondContact O-N 2.99Å; V195-Y267 HydrophobicContact CB-CD2 4.37Å; V195-Y267 HydrophobicContact CB-CE2 4.11Å; V195-Y267 HydrophobicContact CG2-CD2 3.74Å; V195-Y267 HydrophobicContact CG2-CE2 3.83Å
196	D	96	Very high	96.4	Very high	24 Å²	24	40.3 Å²	40.3	13%	0.128	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	114.6	167.5	172.7	6	0	0	0	108.6	E198 T199 Q200 R201 V203 Y264	D196-E198 VanDerWaalsContact C-N 3.25Å; D196-E198 PolarHBondContact O-N 2.7Å; D196-E198 WeakPolarHBondContact OD1-CB 3.45Å; D196-E198 PolarHBondContact OD1-N 3.07Å; D196-T199 WeakPolarHBondContact CB-OG1 3.32Å; D196-T199 WeakPolarHBondContact OD2-CB 3.33Å; D196-T199 VanDerWaalsContact OD2-CG2 3.26Å; D196-T199 WeakPolarHBondContact OD2-CG2 3.49Å; D196-T199 PolarHBondContact OD2-OG1 3.31Å; D196-Q200 VanDerWaalsContact O-CA 3.26Å; D196-Q200 WeakPolarHBondContact O-CA 3.31Å; D196-Q200 PolarHBondContact O-N 2.76Å; D196-R201 PolarHBondContact N-O 3.35Å; D196-R201 PolarHBondContact O-N 2.99Å; D196-V203 HydrophobicContact CB-CG2 3.82Å; D196-Y264 HydrophobicContact CB-CD1 4.1Å; D196-Y264 HydrophobicContact CB-CE1 3.77Å
197	P	95	Very high	96.6	Very high	43 Å²	43	36.8 Å²	36.8	28%	0.279	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.5	-21	-177.7	29.4	-35.7	0	0	0	113.5	V195 G263	V195-P197 WeakPolarHBondContact O-CD 3.46Å; P197-G263 WeakPolarHBondContact CG-O 3.32Å
198	E	92.5	Very high	96.8	Very high	178 Å²	178	35.7 Å²	35.7	83%	0.832	18%	0.176	S	C	*	.	T	Hydrogen-bonded Turn	trans	-75.2	-47.2	178.8	-62.9	-175	177.5	0	0	110.6	D196	D196-E198 VanDerWaalsContact C-N 3.25Å; D196-E198 PolarHBondContact O-N 2.7Å; D196-E198 WeakPolarHBondContact OD1-CB 3.45Å; D196-E198 PolarHBondContact OD1-N 3.07Å
199	T	93.4	Very high	96.8	Very high	68 Å²	68	32.6 Å²	32.6	42%	0.417	16%	0.161	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.6	-11.9	-179.7	61.3	0	0	0	0	113.7	D196 R201	D196-T199 WeakPolarHBondContact CB-OG1 3.32Å; D196-T199 WeakPolarHBondContact OD2-CB 3.33Å; D196-T199 VanDerWaalsContact OD2-CG2 3.26Å; D196-T199 WeakPolarHBondContact OD2-CG2 3.49Å; D196-T199 PolarHBondContact OD2-OG1 3.31Å; T199-R201 PolarHBondContact O-N 2.86Å
200	Q	95.4	Very high	96.6	Very high	104 Å²	104	35.3 Å²	35.3	49%	0.486	17%	0.167	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.2	32.6	-174.4	-55.7	-179.8	-16.2	0	0	112.8	L167 F171 D196	L167-Q200 HydrophobicContact CD1-CG 4.43Å; L167-Q200 VanDerWaalsContact CD1-OE1 3.25Å; F171-Q200 HydrophobicContact CZ-CB 4.42Å; F171-Q200 WeakPolarHBondContact CZ-O 3.46Å; D196-Q200 VanDerWaalsContact O-CA 3.26Å; D196-Q200 WeakPolarHBondContact O-CA 3.31Å; D196-Q200 PolarHBondContact O-N 2.76Å
201	R	95.1	Very high	96	Very high	148 Å²	148	38.1 Å²	38.1	56%	0.558	20%	0.198	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-112.5	145.2	-179.3	-69.1	178.5	-177.6	174.6	0.8	111.1	V195 D196 T199 V203 D249	V195-R201 WeakPolarHBondContact CA-O 3.44Å; V195-R201 WeakPolarHBondContact CG1-O 3.48Å; D196-R201 PolarHBondContact N-O 3.35Å; D196-R201 PolarHBondContact O-N 2.99Å; T199-R201 PolarHBondContact O-N 2.86Å; R201-V203 PolarHBondContact O-N 3.17Å; R201-D249 IonicContact NH1-OD2 3.61Å
202	I	97.1	Very high	95.4	Very high	46 Å²	46	43.9 Å²	43.9	24%	0.236	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.3	118.8	170.5	-62.9	174.2	0	0	0	108.2	F171 S174 A193 V194 V195 T204 V205	F171-I202 HydrophobicContact CD1-CD1 4.09Å; F171-I202 HydrophobicContact CD1-CG1 3.7Å; F171-I202 HydrophobicContact CE1-CG1 4.14Å; S174-I202 WeakPolarHBondContact OG-CD1 3.21Å; A193-I202 HydrophobicContact CB-CG2 4.48Å; V194-I202 CarbonylContact O-C 3.5Å; V195-I202 HydrophobicContact CG2-CG1 4.09Å; I202-T204 VanDerWaalsContact CG2-O 3.27Å; I202-T204 WeakPolarHBondContact CG2-O 3.42Å; I202-V205 HydrophobicContact CG2-CG2 3.51Å
203	V	96.4	Very high	95	Very high	17 Å²	17	46.9 Å²	46.9	10%	0.103	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	-46.8	173.3	-174.6	0	0	0	0	109.5	V194 D196 R201 V226 F245 A246 Y264	V194-V203 HydrophobicContact CG1-CB 4.48Å; V194-V203 PolarHBondContact O-N 3.11Å; D196-V203 HydrophobicContact CB-CG2 3.82Å; R201-V203 PolarHBondContact O-N 3.17Å; V203-V226 HydrophobicContact CG1-CG2 4.27Å; V203-F245 CarbonylContact O-C 3.51Å; V203-F245 VanDerWaalsContact O-CA 3.24Å; V203-F245 WeakPolarHBondContact O-CA 3.34Å; V203-A246 PolarHBondContact O-N 3Å; V203-Y264 HydrophobicContact CB-CE2 4.44Å; V203-Y264 HydrophobicContact CG1-CE2 4.14Å; V203-Y264 HydrophobicContact CG2-CD2 4.27Å; V203-Y264 HydrophobicContact CG2-CE2 3.9Å
204	T	97.9	Very high	94.8	Very high	1 Å²	1	51.2 Å²	51.2	1%	0.006	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	153.5	179.7	73.3	0	0	0	0	112.5	A193 V194 I202 C222 L225 V226 R244 F245	A193-T204 CarbonylContact C-O 3.6Å; A193-T204 WeakPolarHBondContact CA-O 3.25Å; V194-T204 WeakPolarHBondContact CB-OG1 3.21Å; V194-T204 WeakPolarHBondContact CG2-OG1 3.39Å; V194-T204 PolarHBondContact N-O 3.48Å; V194-T204 PolarHBondContact O-N 3.22Å; I202-T204 VanDerWaalsContact CG2-O 3.27Å; I202-T204 WeakPolarHBondContact CG2-O 3.42Å; T204-C222 PolarHBondContact OG1-O 2.79Å; T204-L225 HydrophobicContact CG2-CB 3.68Å; T204-V226 HydrophobicContact CG2-CB 4.26Å; T204-V226 HydrophobicContact CG2-CG2 3.45Å; T204-V226 VanDerWaalsContact CG2-CG2 3.45Å; T204-R244 CarbonylContact C-O 3.53Å; T204-R244 VanDerWaalsContact CA-O 3.31Å; T204-R244 WeakPolarHBondContact CA-O 3.41Å; T204-F245 HydrophobicContact CG2-CB 3.74Å
205	V	98.6	Very high	94.6	Very high	3 Å²	3	55.7 Å²	55.7	2%	0.018	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	135.3	166.4	-175.4	0	0	0	0	107.4	A178 A192 A193 I202 L225 C243 R244	A178-V205 HydrophobicContact CB-CG1 3.59Å; A192-V205 WeakPolarHBondContact O-CA 3.22Å; A193-V205 HydrophobicContact CB-CG2 4.29Å; I202-V205 HydrophobicContact CG2-CG2 3.51Å; V205-L225 VanDerWaalsContact O-CD1 3.29Å; V205-L225 WeakPolarHBondContact O-CD1 3.37Å; V205-C243 CarbonylContact O-C 3.48Å; V205-C243 VanDerWaalsContact O-CA 3.27Å; V205-C243 WeakPolarHBondContact O-CA 3.41Å; V205-R244 HydrophobicContact CB-CG 4.26Å; V205-R244 PolarHBondContact N-O 2.94Å; V205-R244 PolarHBondContact O-N 3.42Å
206	G	98.2	Very high	94.5	Very high	0 Å²	0	56.3 Å²	56.3	0%	0	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147	164	-179.8	0	0	0	0	0	111.5	G191 A192 C222	G191-G206 CarbonylContact C-O 3.49Å; G191-G206 WeakPolarHBondContact CA-O 3.5Å; A192-G206 PolarHBondContact N-O 3.02Å; A192-G206 PolarHBondContact O-N 3.24Å; G206-C222 PolarHBondContact N-SG 2.85Å; G206-C222 VanDerWaalsContact N-SG 3.42Å
207	H	98.1	Very high	94.6	Very high	1 Å²	1	56.6 Å²	56.6	1%	0.005	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	171	174.4	65.1	74.8	0	0	0	111.6	A178 A182 V190 Y240 C243	A178-H207 HydrophobicContact CB-CB 4.2Å; A178-H207 WeakPolarHBondContact O-CB 3.18Å; A182-H207 HydrophobicContact CB-CB 3.83Å; A182-H207 WeakPolarHBondContact CB-ND1 3.47Å; V190-H207 CarbonylContact O-C 3.53Å; V190-H207 VanDerWaalsContact O-CA 3.26Å; V190-H207 WeakPolarHBondContact O-CA 3.38Å; V190-H207 WeakPolarHBondContact O-CB 3.43Å; H207-Y240 AromaticContact CE1-CD1 3.95Å; H207-C243 PolarHBondContact CD2-SG 2.9Å; H207-C243 PolarHBondContact NE2-SG 3.22Å; H207-C243 VanDerWaalsContact NE2-SG 3.45Å
208	D	96.4	Very high	94.8	Very high	2 Å²	2	54.6 Å²	54.6	1%	0.011	28%	0.281	C	S	.	.			trans	-58.6	137.3	176.7	-159.4	-73.3	0	0	0	111.5	M187 E188 V190 R210	M187-D208 VanDerWaalsContact SD-O 3.37Å; E188-D208 HydrophobicContact CB-CB 3.99Å; E188-D208 VanDerWaalsContact O-CB 3.32Å; E188-D208 WeakPolarHBondContact O-CB 3.44Å; V190-D208 HydrophobicContact CB-CB 4.18Å; V190-D208 PolarHBondContact O-N 3.31Å; D208-R210 WeakPolarHBondContact OD1-CB 3.41Å; D208-R210 WeakPolarHBondContact OD1-CG 3.49Å; D208-R210 IonicContact OD1-CZ 2.65Å; D208-R210 PolarHBondContact OD1-N 3.34Å; D208-R210 IonicContact OD1-NE 2.91Å; D208-R210 PolarHBondContact OD1-NE 3.37Å; D208-R210 IonicContact OD1-NH2 3.74Å; D208-R210 IonicContact OD2-CZ 2.84Å; D208-R210 IonicContact OD2-NE 3.03Å; D208-R210 PolarHBondContact OD2-NE 3.25Å; D208-R210 IonicContact OD2-NH2 3.21Å; D208-R210 PolarHBondContact OD2-NH2 3.02Å
209	R	95.3	Very high	95.1	Very high	18 Å²	18	46.3 Å²	46.3	7%	0.068	24%	0.243	C	C	.	.			trans	-133	26.2	179.6	-75.2	-169.4	56.1	-173.8	-7.8	112	M187 G211 E212 H213 Q216 V221 R236 H237 Y240	M187-R209 HydrophobicContact SD-CB 4.48Å; M187-R209 HydrophobicContact SD-CG 4.29Å; R209-G211 PolarHBondContact O-N 2.95Å; R209-G211 VanDerWaalsContact O-N 3.16Å; R209-E212 WeakPolarHBondContact O-CB 3.3Å; R209-E212 PolarHBondContact O-N 2.66Å; R209-H213 PolarHBondContact O-N 3.38Å; R209-Q216 CarbonylContact C-O 3.44Å; R209-Q216 WeakPolarHBondContact CA-O 3.43Å; R209-Q216 HydrophobicContact CB-CB 3.73Å; R209-Q216 PolarHBondContact N-O 3.24Å; R209-V221 HydrophobicContact CB-CG2 4.36Å; R209-V221 HydrophobicContact CG-CG2 4.35Å; R209-R236 PolarHBondContact NH1-O 2.99Å; R209-R236 VanDerWaalsContact NH1-O 3.08Å; R209-H237 PolarHBondContact NH1-ND1 3Å; R209-Y240 VanDerWaalsContact NE-CE2 3.29Å
210	R	91.3	Very high	95.3	Very high	75 Å²	75	45.9 Å²	45.9	28%	0.283	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.6	-18.2	179.3	-76.6	-178.2	-85.4	159.1	14.4	114.8	E188 D208 E212 H213 P214 H217	E188-R210 VanDerWaalsContact CB-NH2 3.25Å; E188-R210 IonicContact OE2-CZ 2.73Å; E188-R210 IonicContact OE2-NH1 3.19Å; E188-R210 IonicContact OE2-NH2 2.76Å; E188-R210 PolarHBondContact OE2-NH2 3.24Å; D208-R210 WeakPolarHBondContact OD1-CB 3.41Å; D208-R210 WeakPolarHBondContact OD1-CG 3.49Å; D208-R210 IonicContact OD1-CZ 2.65Å; D208-R210 PolarHBondContact OD1-N 3.34Å; D208-R210 IonicContact OD1-NE 2.91Å; D208-R210 PolarHBondContact OD1-NE 3.37Å; D208-R210 IonicContact OD1-NH2 3.74Å; D208-R210 IonicContact OD2-CZ 2.84Å; D208-R210 IonicContact OD2-NE 3.03Å; D208-R210 PolarHBondContact OD2-NE 3.25Å; D208-R210 IonicContact OD2-NH2 3.21Å; D208-R210 PolarHBondContact OD2-NH2 3.02Å; R210-E212 PolarHBondContact O-N 2.96Å; R210-H213 WeakPolarHBondContact CA-O 3.47Å; R210-P214 WeakPolarHBondContact CG-O 3.48Å; R210-H217 WeakPolarHBondContact CD-CD2 3.49Å; R210-H217 WeakPolarHBondContact CD-NE2 3.23Å
211	G	85.4	Confident	95.4	Very high	69 Å²	69	41 Å²	41	71%	0.711	21%	0.214	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.7	-23.5	169.1	0	0	0	0	0	113.6	R209	R209-G211 PolarHBondContact O-N 2.95Å; R209-G211 VanDerWaalsContact O-N 3.16Å
212	E	86.2	Confident	95.6	Very high	122 Å²	122	33.9 Å²	33.9	57%	0.57	19%	0.187	S	C	*	.	T	Hydrogen-bonded Turn	trans	-101.6	-43.8	178.1	-65.7	-81.3	169.6	0	0	112.1	R209 R210 Y240	R209-E212 WeakPolarHBondContact O-CB 3.3Å; R209-E212 PolarHBondContact O-N 2.66Å; R210-E212 PolarHBondContact O-N 2.96Å; E212-Y240 VanDerWaalsContact CD-OH 3.27Å; E212-Y240 VanDerWaalsContact CG-OH 3.26Å; E212-Y240 WeakPolarHBondContact CG-OH 3.47Å; E212-Y240 PolarHBondContact OE1-OH 3.3Å
213	H	91.4	Very high	95.6	Very high	63 Å²	63	32.8 Å²	32.8	29%	0.292	18%	0.181	S	C	.	.			trans	-149.6	128.9	-177.7	-174.6	-78.7	0	0	0	110.9	R209 R210 L215 Q216	R209-H213 PolarHBondContact O-N 3.38Å; R210-H213 WeakPolarHBondContact CA-O 3.47Å; H213-L215 PolarHBondContact ND1-N 3.23Å; H213-L215 VanDerWaalsContact ND1-N 3.17Å; H213-L215 PolarHBondContact O-N 3.37Å; H213-Q216 HydrophobicContact CB-CB 4.4Å; H213-Q216 HydrophobicContact CB-CG 3.81Å; H213-Q216 PolarHBondContact O-N 3.13Å
214	P	93.9	Very high	95.7	Very high	91 Å²	91	32.9 Å²	32.9	59%	0.591	18%	0.181	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.3	-24.2	-169.1	23.4	-35	0	0	0	114.4	R210 H217	R210-P214 WeakPolarHBondContact CG-O 3.48Å; P214-H217 PolarHBondContact O-NE2 2.84Å
215	L	94.9	Very high	95.6	Very high	95 Å²	95	32.9 Å²	32.9	50%	0.497	18%	0.181	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.7	-5.8	178.5	-50.1	-177.8	0	0	0	114.3	H213 H217 M220 M275	H213-L215 PolarHBondContact ND1-N 3.23Å; H213-L215 VanDerWaalsContact ND1-N 3.17Å; H213-L215 PolarHBondContact O-N 3.37Å; L215-H217 PolarHBondContact O-N 3.3Å; L215-M220 WeakPolarHBondContact O-CG 3.45Å; L215-M275 HydrophobicContact CB-CE 4.47Å; L215-M275 HydrophobicContact CB-SD 4.17Å; L215-M275 HydrophobicContact CD2-SD 3.66Å; L215-M275 HydrophobicContact CG-SD 4.41Å
216	Q	96.1	Very high	95.5	Very high	15 Å²	15	32.8 Å²	32.8	7%	0.07	18%	0.18	C	C	.	.			trans	-84.8	61	-176.4	-68.7	-179	1.3	0	0	111.9	R209 H213 V221	R209-Q216 CarbonylContact C-O 3.44Å; R209-Q216 WeakPolarHBondContact CA-O 3.43Å; R209-Q216 HydrophobicContact CB-CB 3.73Å; R209-Q216 PolarHBondContact N-O 3.24Å; H213-Q216 HydrophobicContact CB-CB 4.4Å; H213-Q216 HydrophobicContact CB-CG 3.81Å; H213-Q216 PolarHBondContact O-N 3.13Å; Q216-V221 HydrophobicContact CB-CG2 4.14Å
217	H	98.1	Very high	95.4	Very high	29 Å²	29	33.6 Å²	33.6	13%	0.134	19%	0.187	C	C	.	.			trans	-69.2	156.4	169.4	-67	-159.1	0	0	0	110	R210 P214 L215 V219 M220 V221 C273 M275 C276	R210-H217 WeakPolarHBondContact CD-CD2 3.49Å; R210-H217 WeakPolarHBondContact CD-NE2 3.23Å; P214-H217 PolarHBondContact O-NE2 2.84Å; L215-H217 PolarHBondContact O-N 3.3Å; H217-V219 PolarHBondContact O-N 3.33Å; H217-V219 VanDerWaalsContact O-N 3.08Å; H217-M220 HydrophobicContact CB-CG 4.36Å; H217-M220 WeakPolarHBondContact O-CB 3.37Å; H217-M220 PolarHBondContact O-N 3.46Å; H217-V221 WeakPolarHBondContact O-CG2 3.31Å; H217-V221 PolarHBondContact O-N 2.98Å; H217-C273 VanDerWaalsContact CE1-SG 3.54Å; H217-M275 HydrophobicContact CB-CE 4.36Å; H217-C276 WeakPolarHBondContact CB-SG 3.49Å; H217-C276 PolarHBondContact ND1-SG 3.32Å; H217-C276 VanDerWaalsContact ND1-SG 3.37Å
218	A	98.3	Very high	95.1	Very high	1 Å²	1	35.9 Å²	35.9	1%	0.008	20%	0.196	C	C	.	.	H	α-helix	trans	-50.5	-40.1	-179.1	0	0	0	0	0	113.7	V190 A192 V221 C222	V190-A218 HydrophobicContact CB-CB 4.35Å; V190-A218 HydrophobicContact CG1-CB 3.88Å; A192-A218 HydrophobicContact CB-CB 3.97Å; A218-V221 PolarHBondContact O-N 3.16Å; A218-C222 WeakPolarHBondContact O-CB 3.45Å; A218-C222 PolarHBondContact O-N 3.23Å
219	V	98.7	Very high	94.8	Very high	5 Å²	5	36.2 Å²	36.2	3%	0.03	20%	0.198	C	C	.	.	H	α-helix	trans	-63.8	-44.9	176.6	179.3	0	0	0	0	111.8	H217 V221 C222 I223 L266 V268 P272 C276 L280	H217-V219 PolarHBondContact O-N 3.33Å; H217-V219 VanDerWaalsContact O-N 3.08Å; V219-V221 VanDerWaalsContact C-N 3.34Å; V219-C222 PolarHBondContact O-N 2.81Å; V219-I223 HydrophobicContact CG1-CD1 4.06Å; V219-I223 WeakPolarHBondContact O-CG1 3.48Å; V219-I223 PolarHBondContact O-N 3.28Å; V219-L266 HydrophobicContact CG1-CD2 4.07Å; V219-L266 HydrophobicContact CG2-CD2 3.99Å; V219-V268 HydrophobicContact CG2-CG2 4.03Å; V219-P272 HydrophobicContact CG2-CG 4.28Å; V219-C276 HydrophobicContact CB-CB 3.87Å; V219-C276 HydrophobicContact CG1-CB 4.01Å; V219-C276 HydrophobicContact CG2-CB 4.11Å; V219-L280 HydrophobicContact CG1-CD1 3.96Å; V219-L280 HydrophobicContact CG1-CD2 3.94Å; V219-L280 HydrophobicContact CG1-CG 3.85Å
220	M	98.5	Very high	94.6	Very high	58 Å²	58	37.3 Å²	37.3	29%	0.286	20%	0.204	S	C	.	.	H	α-helix	trans	-65.7	-40	179.2	-61.6	-53.9	-63.1	0	0	111.3	L215 H217 I223 D224 M275 A279	L215-M220 WeakPolarHBondContact O-CG 3.45Å; H217-M220 HydrophobicContact CB-CG 4.36Å; H217-M220 WeakPolarHBondContact O-CB 3.37Å; H217-M220 PolarHBondContact O-N 3.46Å; M220-I223 PolarHBondContact O-N 2.95Å; M220-D224 PolarHBondContact O-N 2.97Å; M220-M275 HydrophobicContact CG-CE 3.91Å; M220-A279 HydrophobicContact CE-CB 3.98Å; M220-A279 HydrophobicContact SD-CB 3.4Å; M220-A279 WeakPolarHBondContact SD-CB 3.47Å
221	V	98.3	Very high	94.5	Very high	1 Å²	1	37.5 Å²	37.5	1%	0.006	23%	0.23	C	C	.	.	H	α-helix	trans	-60.3	-46.5	174	172.9	0	0	0	0	110.4	R209 Q216 H217 A218 V219 I223 D224 L225	R209-V221 HydrophobicContact CB-CG2 4.36Å; R209-V221 HydrophobicContact CG-CG2 4.35Å; Q216-V221 HydrophobicContact CB-CG2 4.14Å; H217-V221 WeakPolarHBondContact O-CG2 3.31Å; H217-V221 PolarHBondContact O-N 2.98Å; A218-V221 PolarHBondContact O-N 3.16Å; V219-V221 VanDerWaalsContact C-N 3.34Å; V221-I223 PolarHBondContact O-N 3.44Å; V221-D224 PolarHBondContact O-N 2.96Å; V221-L225 HydrophobicContact CG1-CD1 3.83Å; V221-L225 HydrophobicContact CG1-CG 4.37Å; V221-L225 WeakPolarHBondContact O-CB 3.5Å; V221-L225 WeakPolarHBondContact O-CG 3.22Å; V221-L225 PolarHBondContact O-N 2.91Å
222	C	98.4	Very high	94.7	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-61.3	-41.4	176.1	-91	0	0	0	0	113.3	A192 V194 T204 G206 A218 V219 L225 V226	A192-C222 HydrophobicContact CB-CB 4.41Å; A192-C222 PolarHBondContact O-SG 3.09Å; V194-C222 HydrophobicContact CG2-CB 3.78Å; T204-C222 PolarHBondContact OG1-O 2.79Å; G206-C222 PolarHBondContact N-SG 2.85Å; G206-C222 VanDerWaalsContact N-SG 3.42Å; A218-C222 WeakPolarHBondContact O-CB 3.45Å; A218-C222 PolarHBondContact O-N 3.23Å; V219-C222 PolarHBondContact O-N 2.81Å; C222-L225 PolarHBondContact O-N 3.08Å; C222-V226 WeakPolarHBondContact O-CG2 3.26Å; C222-V226 PolarHBondContact O-N 3.28Å
223	I	98.2	Very high	94.9	Very high	22 Å²	22	32.5 Å²	32.5	11%	0.113	21%	0.21	C	C	.	.	H	α-helix	trans	-62.6	-44.7	176.1	-70.2	169.6	0	0	0	110.7	V219 M220 V221 L225 V226 A227 I260 A279 L280	V219-I223 HydrophobicContact CG1-CD1 4.06Å; V219-I223 WeakPolarHBondContact O-CG1 3.48Å; V219-I223 PolarHBondContact O-N 3.28Å; M220-I223 PolarHBondContact O-N 2.95Å; V221-I223 PolarHBondContact O-N 3.44Å; I223-L225 PolarHBondContact O-N 2.85Å; I223-V226 PolarHBondContact O-N 3.41Å; I223-A227 PolarHBondContact O-N 2.82Å; I223-I260 HydrophobicContact CG2-CG2 3.92Å; I223-A279 HydrophobicContact CD1-CB 3.84Å; I223-L280 HydrophobicContact CD1-CD2 4.31Å
224	D	97.2	Very high	94.9	Very high	19 Å²	19	33.9 Å²	33.9	10%	0.102	23%	0.226	C	C	.	.	H	α-helix	trans	-62.6	-42.7	176.3	-166.9	83.3	0	0	0	111.4	M220 V221 V226 A227 R228 C234 Y235 H237	M220-D224 PolarHBondContact O-N 2.97Å; V221-D224 PolarHBondContact O-N 2.96Å; D224-V226 VanDerWaalsContact C-N 3.3Å; D224-V226 PolarHBondContact O-N 2.88Å; D224-A227 CarbonylContact O-C 3.57Å; D224-A227 WeakPolarHBondContact O-CB 3.3Å; D224-A227 PolarHBondContact O-N 3.42Å; D224-A227 VanDerWaalsContact O-N 3.17Å; D224-R228 WeakPolarHBondContact O-CG 3.46Å; D224-R228 PolarHBondContact O-N 3.07Å; D224-R228 IonicContact OD2-NE 2.81Å; D224-R228 PolarHBondContact OD2-NE 2.81Å; D224-C234 PolarHBondContact OD1-N 3.3Å; D224-Y235 PolarHBondContact OD1-N 3.46Å; D224-Y235 PolarHBondContact OD2-N 3.33Å; D224-Y235 VanDerWaalsContact OD2-O 3.11Å; D224-H237 IonicContact OD2-CD2 3.93Å; D224-H237 IonicContact OD2-NE2 3.88Å
225	L	97	Very high	94.8	Very high	2 Å²	2	34.2 Å²	34.2	1%	0.01	22%	0.217	C	C	.	.	H	α-helix	trans	-61.7	-36.2	176.6	-71.3	168.2	0	0	0	112.4	T204 V205 V221 C222 I223 R228 S229 H237 C243 F245	T204-L225 HydrophobicContact CG2-CB 3.68Å; V205-L225 VanDerWaalsContact O-CD1 3.29Å; V205-L225 WeakPolarHBondContact O-CD1 3.37Å; V221-L225 HydrophobicContact CG1-CD1 3.83Å; V221-L225 HydrophobicContact CG1-CG 4.37Å; V221-L225 WeakPolarHBondContact O-CB 3.5Å; V221-L225 WeakPolarHBondContact O-CG 3.22Å; V221-L225 PolarHBondContact O-N 2.91Å; C222-L225 PolarHBondContact O-N 3.08Å; I223-L225 PolarHBondContact O-N 2.85Å; L225-R228 WeakPolarHBondContact O-CB 3.4Å; L225-R228 PolarHBondContact O-N 2.89Å; L225-S229 PolarHBondContact O-N 3.02Å; L225-H237 HydrophobicContact CD2-CB 4.08Å; L225-C243 HydrophobicContact CD1-CB 4.27Å; L225-F245 HydrophobicContact CB-CB 4.43Å; L225-F245 HydrophobicContact CD2-CD1 3.88Å
226	V	96.1	Very high	94.6	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-68.1	-44.2	174.4	171.6	0	0	0	0	109.9	V194 V203 T204 C222 I223 D224 R228 S229 Q230 I260 Y264	V194-V226 HydrophobicContact CB-CG2 4.08Å; V194-V226 HydrophobicContact CG1-CG2 3.95Å; V194-V226 HydrophobicContact CG2-CG2 4.16Å; V203-V226 HydrophobicContact CG1-CG2 4.27Å; T204-V226 HydrophobicContact CG2-CB 4.26Å; T204-V226 HydrophobicContact CG2-CG2 3.45Å; T204-V226 VanDerWaalsContact CG2-CG2 3.45Å; C222-V226 WeakPolarHBondContact O-CG2 3.26Å; C222-V226 PolarHBondContact O-N 3.28Å; I223-V226 PolarHBondContact O-N 3.41Å; D224-V226 VanDerWaalsContact C-N 3.3Å; D224-V226 PolarHBondContact O-N 2.88Å; V226-R228 PolarHBondContact O-N 2.78Å; V226-S229 PolarHBondContact O-N 3.36Å; V226-S229 PolarHBondContact O-OG 2.98Å; V226-Q230 WeakPolarHBondContact O-CG 3.42Å; V226-Q230 PolarHBondContact O-N 3.31Å; V226-I260 HydrophobicContact CG1-CG2 4.24Å; V226-I260 WeakPolarHBondContact CG1-O 3.12Å; V226-Y264 HydrophobicContact CG1-CE2 4.27Å
227	A	94.8	Very high	94.4	Very high	18 Å²	18	38.5 Å²	38.5	15%	0.149	23%	0.226	C	C	.	.	H	α-helix	trans	-59.9	-37.2	175.2	0	0	0	0	0	111.3	I223 D224 Q230 G231 G232	I223-A227 PolarHBondContact O-N 2.82Å; D224-A227 CarbonylContact O-C 3.57Å; D224-A227 WeakPolarHBondContact O-CB 3.3Å; D224-A227 PolarHBondContact O-N 3.42Å; D224-A227 VanDerWaalsContact O-N 3.17Å; A227-Q230 CarbonylContact O-C 3.58Å; A227-Q230 WeakPolarHBondContact O-CB 3.45Å; A227-Q230 PolarHBondContact O-N 2.93Å; A227-G231 PolarHBondContact O-N 3.31Å; A227-G232 CarbonylContact O-C 3.5Å; A227-G232 VanDerWaalsContact O-CA 3.31Å; A227-G232 WeakPolarHBondContact O-CA 3.26Å; A227-G232 PolarHBondContact O-N 3.01Å
228	R	92.8	Very high	93.9	Very high	48 Å²	48	42.5 Å²	42.5	18%	0.181	25%	0.248	C	C	.	.	H	α-helix	trans	-64.3	-44.2	174.8	-74.6	177.4	169.6	-84.6	-25	113.5	D224 L225 V226 Q230 G231 G232 Y235 F245	D224-R228 WeakPolarHBondContact O-CG 3.46Å; D224-R228 PolarHBondContact O-N 3.07Å; D224-R228 IonicContact OD2-NE 2.81Å; D224-R228 PolarHBondContact OD2-NE 2.81Å; L225-R228 WeakPolarHBondContact O-CB 3.4Å; L225-R228 PolarHBondContact O-N 2.89Å; V226-R228 PolarHBondContact O-N 2.78Å; R228-Q230 PolarHBondContact O-N 2.75Å; R228-Q230 VanDerWaalsContact O-N 3.08Å; R228-G231 PolarHBondContact O-N 3.06Å; R228-G232 WeakPolarHBondContact CA-O 3.22Å; R228-Y235 PolarHBondContact NE-O 2.74Å; R228-Y235 PolarHBondContact NH2-O 3.32Å; R228-F245 HydrophobicContact CB-CD1 4.35Å; R228-F245 HydrophobicContact CB-CE1 4.07Å; R228-F245 HydrophobicContact CB-CZ 4.39Å
229	S	90.6	Very high	93.5	Very high	9 Å²	9	53.2 Å²	53.2	6%	0.063	29%	0.288	C	S	.	.	H	α-helix	trans	-63.5	-15.2	176.2	66.8	0	0	0	0	112.6	L225 V226 F245 T248	L225-S229 PolarHBondContact O-N 3.02Å; V226-S229 PolarHBondContact O-N 3.36Å; V226-S229 PolarHBondContact O-OG 2.98Å; S229-F245 VanDerWaalsContact CB-CD2 3.49Å; S229-T248 WeakPolarHBondContact O-CG2 3.36Å; S229-T248 PolarHBondContact O-OG1 3.27Å
230	Q	90.8	Very high	93.2	Very high	42 Å²	42	54.2 Å²	54.2	20%	0.196	29%	0.291	C	S	.	.	T	Hydrogen-bonded Turn	trans	-103.1	11	178.2	-68.5	172.7	3.9	0	0	113	V226 A227 R228 V257 P258 I260	V226-Q230 WeakPolarHBondContact O-CG 3.42Å; V226-Q230 PolarHBondContact O-N 3.31Å; A227-Q230 CarbonylContact O-C 3.58Å; A227-Q230 WeakPolarHBondContact O-CB 3.45Å; A227-Q230 PolarHBondContact O-N 2.93Å; R228-Q230 PolarHBondContact O-N 2.75Å; R228-Q230 VanDerWaalsContact O-N 3.08Å; Q230-V257 HydrophobicContact CB-CG1 3.63Å; Q230-V257 HydrophobicContact CG-CG1 3.59Å; Q230-P258 VanDerWaalsContact CD-O 3.3Å; Q230-P258 PolarHBondContact NE2-O 3.35Å; Q230-P258 PolarHBondContact OE1-O 3.07Å; Q230-I260 PolarHBondContact NE2-O 3.35Å; Q230-I260 VanDerWaalsContact OE1-CA 3.23Å
231	G	88.4	Confident	92.9	Very high	79 Å²	79	56 Å²	56	81%	0.814	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	84.8	5.4	178	0	0	0	0	0	115.5	A227 R228	A227-G231 PolarHBondContact O-N 3.31Å; R228-G231 PolarHBondContact O-N 3.06Å
232	G	90	Very high	92.7	Very high	47 Å²	47	56.6 Å²	56.6	49%	0.485	32%	0.321	S	S	.	.			trans	-108.2	-136.3	173.8	0	0	0	0	0	113.2	A227 R228	A227-G232 CarbonylContact O-C 3.5Å; A227-G232 VanDerWaalsContact O-CA 3.31Å; A227-G232 WeakPolarHBondContact O-CA 3.26Å; A227-G232 PolarHBondContact O-N 3.01Å; R228-G232 WeakPolarHBondContact CA-O 3.22Å
233	G	90.4	Very high	92.6	Very high	38 Å²	38	57 Å²	57	39%	0.392	32%	0.324	S	S	.	.			trans	82.5	154.9	-179.9	0	0	0	0	0	114.3
234	C	91.9	Very high	92.5	Very high	92 Å²	92	62.6 Å²	62.6	62%	0.622	34%	0.343	S	S	*	.	S	Bend	trans	-109.9	-39.7	-173	-174.9	0	0	0	0	112.2	D224	D224-C234 PolarHBondContact OD1-N 3.3Å
235	Y	92.1	Very high	92.3	Very high	99 Å²	99	65.5 Å²	65.5	39%	0.388	36%	0.355	S	S	.	.			trans	-115.9	130.4	-164.2	-63.1	-79.9	0	0	0	114.3	D224 R228 H237	D224-Y235 PolarHBondContact OD1-N 3.46Å; D224-Y235 PolarHBondContact OD2-N 3.33Å; D224-Y235 VanDerWaalsContact OD2-O 3.11Å; R228-Y235 PolarHBondContact NE-O 2.74Å; R228-Y235 PolarHBondContact NH2-O 3.32Å; Y235-H237 PolarHBondContact O-CD2 3.47Å; Y235-H237 PolarHBondContact O-N 3.29Å; Y235-H237 PolarHBondContact O-NE2 3.26Å
236	R	90.4	Very high	91.8	Very high	198 Å²	198	67.4 Å²	67.4	75%	0.747	37%	0.371	S	S	*	.			trans	-76.4	124.8	177.1	-74.9	-175.6	164.5	170.2	-5.1	111.3	R209	R209-R236 PolarHBondContact NH1-O 2.99Å; R209-R236 VanDerWaalsContact NH1-O 3.08Å
237	H	91.5	Very high	90.6	Very high	2 Å²	2	73 Å²	73	1%	0.009	41%	0.408	C	S	.	.			trans	-108.9	1.7	178.3	-60.7	-83	0	0	0	113.3	R209 D224 L225 Y235 R239 Y240 C243	R209-H237 PolarHBondContact NH1-ND1 3Å; D224-H237 IonicContact OD2-CD2 3.93Å; D224-H237 IonicContact OD2-NE2 3.88Å; L225-H237 HydrophobicContact CD2-CB 4.08Å; Y235-H237 PolarHBondContact O-CD2 3.47Å; Y235-H237 PolarHBondContact O-N 3.29Å; Y235-H237 PolarHBondContact O-NE2 3.26Å; H237-R239 PolarHBondContact O-N 2.92Å; H237-Y240 PolarHBondContact O-N 3.19Å; H237-C243 HydrophobicContact CB-CB 3.8Å
238	D	88.2	Confident	89.1	Confident	112 Å²	112	76.2 Å²	76.2	60%	0.599	43%	0.425	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58	-20	-171.2	-38.5	-29.8	0	0	0	114.3	Y240	D238-Y240 VanDerWaalsContact C-N 3.26Å; D238-Y240 PolarHBondContact O-N 3.24Å
239	R	88.7	Confident	87.7	Confident	226 Å²	226	79 Å²	79	85%	0.853	44%	0.444	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.1	-15	175.9	-64.5	-177	-179.6	176	-0.5	113.7	H237	H237-R239 PolarHBondContact O-N 2.92Å
240	Y	92.7	Very high	86.2	Confident	26 Å²	26	84.6 Å²	84.6	10%	0.102	48%	0.48	C	S	.	.			trans	-114.8	103.4	-175.5	-53.9	-88.9	0	0	0	109.3	L185 M187 H207 R209 E212 H237 D238 A242 C243	L185-Y240 HydrophobicContact CD1-CD1 3.92Å; L185-Y240 HydrophobicContact CD1-CE1 4.42Å; M187-Y240 HydrophobicContact CE-CD1 3.91Å; M187-Y240 HydrophobicContact CE-CE1 3.6Å; H207-Y240 AromaticContact CE1-CD1 3.95Å; R209-Y240 VanDerWaalsContact NE-CE2 3.29Å; E212-Y240 VanDerWaalsContact CD-OH 3.27Å; E212-Y240 VanDerWaalsContact CG-OH 3.26Å; E212-Y240 WeakPolarHBondContact CG-OH 3.47Å; E212-Y240 PolarHBondContact OE1-OH 3.3Å; H237-Y240 PolarHBondContact O-N 3.19Å; D238-Y240 VanDerWaalsContact C-N 3.26Å; D238-Y240 PolarHBondContact O-N 3.24Å; Y240-A242 PolarHBondContact O-N 3.29Å; Y240-C243 WeakPolarHBondContact O-CA 3.39Å; Y240-C243 WeakPolarHBondContact O-CB 3.37Å; Y240-C243 PolarHBondContact O-N 3.41Å
241	A	91.9	Very high	84.6	Confident	95 Å²	95	86.9 Å²	86.9	79%	0.785	49%	0.491	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.7	-26.1	-173.7	0	0	0	0	0	114.5
242	A	94.5	Very high	82.8	Confident	15 Å²	15	88 Å²	88	12%	0.124	48%	0.483	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.7	-20.2	175.8	0	0	0	0	0	113.4	A178 A181 Y240	A178-A242 HydrophobicContact CB-CB 4.3Å; A181-A242 HydrophobicContact CB-CB 3.79Å; Y240-A242 PolarHBondContact O-N 3.29Å
243	C	96.6	Very high	80.7	Confident	9 Å²	9	95.6 Å²	95.6	6%	0.061	51%	0.506	C	S	.	.			trans	-87.8	103.1	173.4	-67	0	0	0	0	109.9	V205 H207 L225 H237 Y240	V205-C243 CarbonylContact O-C 3.48Å; V205-C243 VanDerWaalsContact O-CA 3.27Å; V205-C243 WeakPolarHBondContact O-CA 3.41Å; H207-C243 PolarHBondContact CD2-SG 2.9Å; H207-C243 PolarHBondContact NE2-SG 3.22Å; H207-C243 VanDerWaalsContact NE2-SG 3.45Å; L225-C243 HydrophobicContact CD1-CB 4.27Å; H237-C243 HydrophobicContact CB-CB 3.8Å; Y240-C243 WeakPolarHBondContact O-CA 3.39Å; Y240-C243 WeakPolarHBondContact O-CB 3.37Å; Y240-C243 PolarHBondContact O-N 3.41Å
244	R	96.1	Very high	79	Confident	138 Å²	138	98 Å²	98	52%	0.521	53%	0.53	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	156.5	-175.1	61.4	178.4	-179.2	-108.6	0.9	111.9	T204 V205	T204-R244 CarbonylContact C-O 3.53Å; T204-R244 VanDerWaalsContact CA-O 3.31Å; T204-R244 WeakPolarHBondContact CA-O 3.41Å; V205-R244 HydrophobicContact CB-CG 4.26Å; V205-R244 PolarHBondContact N-O 2.94Å; V205-R244 PolarHBondContact O-N 3.42Å
245	F	93.1	Very high	77.5	Confident	80 Å²	80	95.3 Å²	95.3	35%	0.351	52%	0.519	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	148.6	168.1	60.5	-88.5	0	0	0	109.6	V203 T204 L225 R228 S229	V203-F245 CarbonylContact O-C 3.51Å; V203-F245 VanDerWaalsContact O-CA 3.24Å; V203-F245 WeakPolarHBondContact O-CA 3.34Å; T204-F245 HydrophobicContact CG2-CB 3.74Å; L225-F245 HydrophobicContact CB-CB 4.43Å; L225-F245 HydrophobicContact CD2-CD1 3.88Å; R228-F245 HydrophobicContact CB-CD1 4.35Å; R228-F245 HydrophobicContact CB-CE1 4.07Å; R228-F245 HydrophobicContact CB-CZ 4.39Å; S229-F245 VanDerWaalsContact CB-CD2 3.49Å
246	A	86.5	Confident	76.2	Confident	42 Å²	42	95.1 Å²	95.1	35%	0.347	54%	0.537	S	S	.	.	P	Polyproline II helix	trans	-70.3	142.9	173.4	0	0	0	0	0	109.5	V203 T248	V203-A246 PolarHBondContact O-N 3Å; A246-T248 PolarHBondContact O-N 3.02Å
247	P	69.9	Low	75.2	Confident	119 Å²	119	89 Å²	89	77%	0.773	52%	0.522	S	S	*	.	P	Polyproline II helix	trans	-56.2	128.7	166.7	-16.4	28.6	0	0	0	108.5
248	T	64.8	Low	74.6	Confident	84 Å²	84	91.3 Å²	91.3	52%	0.515	54%	0.537	S	S	.	.	P	Polyproline II helix	trans	-64.5	133.8	174.2	8.5	0	0	0	0	108.8	S229 A246	S229-T248 WeakPolarHBondContact O-CG2 3.36Å; S229-T248 PolarHBondContact O-OG1 3.27Å; A246-T248 PolarHBondContact O-N 3.02Å
249	D	63.3	Low	74.5	Confident	108 Å²	108	92.2 Å²	92.2	58%	0.578	53%	0.533	S	S	*	.	P	Polyproline II helix	trans	-55.6	141.1	168.9	-75.4	-38.7	0	0	0	108.3	R201 Q251	R201-D249 IonicContact NH1-OD2 3.61Å; D249-Q251 PolarHBondContact O-N 3.21Å
250	P	57.7	Low	74.7	Confident	126 Å²	126	83.3 Å²	83.3	82%	0.818	50%	0.502	S	S	*	.			trans	-55.9	114.1	179.1	16.7	-25	0	0	0	108.6
251	Q	56.9	Low	74.8	Confident	90 Å²	90	82.1 Å²	82.1	42%	0.421	50%	0.498	S	S	.	.			trans	-63.1	139.8	-179.8	-74.7	-162.5	-55.1	0	0	109.1	D249 E253	D249-Q251 PolarHBondContact O-N 3.21Å; Q251-E253 PolarHBondContact O-N 3.47Å
252	P	51.8	Low	75	Confident	102 Å²	102	79.6 Å²	79.6	66%	0.662	47%	0.474	S	S	*	.			trans	-56.4	132.9	170.6	23.4	-30.9	0	0	0	108.7	G254 G255	P252-G254 PolarHBondContact O-N 2.89Å; P252-G255 PolarHBondContact O-N 2.88Å
253	E	44.9	Very low	75	Confident	207 Å²	207	80.9 Å²	80.9	97%	0.967	49%	0.489	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.8	113.8	178.6	-67.6	-172.8	169	0	0	109.6	Q251	Q251-E253 PolarHBondContact O-N 3.47Å
254	G	56.3	Low	75.1	Confident	87 Å²	87	82 Å²	82	90%	0.897	49%	0.492	S	S	*	.	T	Hydrogen-bonded Turn	trans	102	-0.6	-179.1	0	0	0	0	0	116.7	P252	P252-G254 PolarHBondContact O-N 2.89Å
255	G	58.9	Low	75.2	Confident	36 Å²	36	75.6 Å²	75.6	37%	0.371	47%	0.468	S	S	.	.	P	Polyproline II helix	trans	-77.9	133.4	171.6	0	0	0	0	0	112.8	P252 V257	P252-G255 PolarHBondContact O-N 2.88Å; G255-V257 PolarHBondContact O-N 3.4Å
256	A	65.5	Low	75.5	Confident	95 Å²	95	71.9 Å²	71.9	79%	0.785	45%	0.452	S	S	*	.	P	Polyproline II helix	trans	-67.1	132.2	174.1	0	0	0	0	0	111
257	V	69.3	Low	76.1	Confident	70 Å²	70	70.1 Å²	70.1	42%	0.424	44%	0.437	S	S	.	.	P	Polyproline II helix	trans	-63	130.7	170.6	-174.2	0	0	0	0	108.8	Q230 G255	Q230-V257 HydrophobicContact CB-CG1 3.63Å; Q230-V257 HydrophobicContact CG-CG1 3.59Å; G255-V257 PolarHBondContact O-N 3.4Å
258	P	79.4	Confident	77.4	Confident	50 Å²	50	64.5 Å²	64.5	33%	0.325	40%	0.4	S	S	.	.	P	Polyproline II helix	trans	-59.6	141.9	176.7	22.3	-30.8	0	0	0	110.4	Q230 I260	Q230-P258 VanDerWaalsContact CD-O 3.3Å; Q230-P258 PolarHBondContact NE2-O 3.35Å; Q230-P258 PolarHBondContact OE1-O 3.07Å; P258-I260 PolarHBondContact O-N 3.02Å
259	Y	85.6	Confident	79.1	Confident	131 Å²	131	60.6 Å²	60.6	51%	0.514	38%	0.376	S	S	.	.			trans	-70.9	97.8	179.1	173.2	-100.9	0	0	0	110.3	C261 S262 H282 R284	Y259-C261 PolarHBondContact O-N 3.18Å; Y259-C261 VanDerWaalsContact O-N 3.08Å; Y259-S262 VanDerWaalsContact O-CB 3.3Å; Y259-S262 WeakPolarHBondContact O-CB 3.4Å; Y259-S262 PolarHBondContact O-N 2.75Å; Y259-S262 PolarHBondContact O-OG 2.86Å; Y259-H282 VanDerWaalsContact CE1-O 3.23Å; Y259-H282 WeakPolarHBondContact CE1-O 3.22Å; Y259-H282 PolarHBondContact OH-O 2.66Å; Y259-H282 VanDerWaalsContact OH-O 3.13Å; Y259-R284 HydrophobicContact CD1-CB 4.48Å; Y259-R284 HydrophobicContact CD1-CG 3.89Å; Y259-R284 HydrophobicContact CE1-CG 3.93Å
260	I	92.1	Very high	80.7	Confident	40 Å²	40	58 Å²	58	21%	0.205	36%	0.358	C	S	.	.	T	Hydrogen-bonded Turn	trans	51.8	-112.6	175.9	-46.9	178.4	0	0	0	110.7	I223 V226 Q230 P258	I223-I260 HydrophobicContact CG2-CG2 3.92Å; V226-I260 HydrophobicContact CG1-CG2 4.24Å; V226-I260 WeakPolarHBondContact CG1-O 3.12Å; Q230-I260 PolarHBondContact NE2-O 3.35Å; Q230-I260 VanDerWaalsContact OE1-CA 3.23Å; P258-I260 PolarHBondContact O-N 3.02Å
261	C	95.5	Very high	82.7	Confident	1 Å²	1	52.2 Å²	52.2	1%	0.007	32%	0.32	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97.2	20.1	-174.8	-58.3	0	0	0	0	112.7	Y259 G263 Y264 S283 I285	Y259-C261 PolarHBondContact O-N 3.18Å; Y259-C261 VanDerWaalsContact O-N 3.08Å; C261-G263 PolarHBondContact O-N 3.17Å; C261-Y264 PolarHBondContact O-N 3Å; C261-S283 CarbonylContact C-O 3.41Å; C261-S283 VanDerWaalsContact C-O 3.23Å; C261-S283 WeakPolarHBondContact CA-O 3.45Å; C261-S283 WeakPolarHBondContact CB-O 3.47Å; C261-S283 PolarHBondContact N-O 2.89Å; C261-I285 HydrophobicContact CB-CD1 3.76Å; C261-I285 WeakPolarHBondContact O-CA 3.49Å
262	S	96.2	Very high	84.7	Confident	41 Å²	41	48.1 Å²	48.1	29%	0.287	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.7	114	-176.4	-70.1	0	0	0	0	111.6	Y259 Y264 S283 R284	Y259-S262 VanDerWaalsContact O-CB 3.3Å; Y259-S262 WeakPolarHBondContact O-CB 3.4Å; Y259-S262 PolarHBondContact O-N 2.75Å; Y259-S262 PolarHBondContact O-OG 2.86Å; S262-Y264 VanDerWaalsContact C-N 3.26Å; S262-Y264 PolarHBondContact O-N 2.96Å; S262-S283 PolarHBondContact N-O 2.63Å; S262-R284 VanDerWaalsContact CA-O 3.31Å; S262-R284 WeakPolarHBondContact CA-O 3.29Å
263	G	94.9	Very high	86.9	Confident	43 Å²	43	43.9 Å²	43.9	44%	0.443	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	78	-2.8	178.6	0	0	0	0	0	115.9	P197 C261 R284	P197-G263 WeakPolarHBondContact CG-O 3.32Å; C261-G263 PolarHBondContact O-N 3.17Å; G263-R284 PolarHBondContact N-O 3.48Å; G263-R284 VanDerWaalsContact N-O 3.09Å
264	Y	98	Very high	89.4	Confident	32 Å²	32	37.2 Å²	37.2	13%	0.125	25%	0.247	C	C	.	.	P	Polyproline II helix	trans	-76.5	162.4	179.2	-68.7	-13	0	0	0	113.4	V194 V195 D196 V203 V226 C261 S262 I285 G286 R287	V194-Y264 HydrophobicContact CG1-CD2 3.64Å; V194-Y264 HydrophobicContact CG1-CG 4.07Å; V195-Y264 WeakPolarHBondContact O-CB 3.46Å; D196-Y264 HydrophobicContact CB-CD1 4.1Å; D196-Y264 HydrophobicContact CB-CE1 3.77Å; V203-Y264 HydrophobicContact CB-CE2 4.44Å; V203-Y264 HydrophobicContact CG1-CE2 4.14Å; V203-Y264 HydrophobicContact CG2-CD2 4.27Å; V203-Y264 HydrophobicContact CG2-CE2 3.9Å; V226-Y264 HydrophobicContact CG1-CE2 4.27Å; C261-Y264 PolarHBondContact O-N 3Å; S262-Y264 VanDerWaalsContact C-N 3.26Å; S262-Y264 PolarHBondContact O-N 2.96Å; Y264-I285 WeakPolarHBondContact O-CD1 3.44Å; Y264-I285 VanDerWaalsContact O-CG1 3.3Å; Y264-I285 WeakPolarHBondContact O-CG1 3.34Å; Y264-G286 WeakPolarHBondContact O-CA 3.4Å; Y264-G286 PolarHBondContact O-N 3.42Å; Y264-R287 PolarHBondContact O-N 2.89Å
265	D	98.7	Very high	91.4	Very high	4 Å²	4	36 Å²	36	2%	0.021	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	135.4	173.5	-68.8	-17.3	0	0	0	110.7	V194 V195 Y267 R287 F289	V194-D265 CarbonylContact C-O 3.57Å; V194-D265 WeakPolarHBondContact CA-O 3.49Å; V195-D265 HydrophobicContact CB-CB 4.31Å; V195-D265 PolarHBondContact N-O 3.08Å; V195-D265 PolarHBondContact O-N 2.99Å; D265-Y267 HydrophobicContact CB-CE2 3.96Å; D265-R287 CarbonylContact C-O 3.31Å; D265-R287 WeakPolarHBondContact CA-O 3.28Å; D265-R287 VanDerWaalsContact OD1-CB 3.28Å; D265-R287 WeakPolarHBondContact OD1-CB 3.45Å; D265-R287 WeakPolarHBondContact OD1-CG 3.33Å; D265-R287 IonicContact OD1-CZ 3.27Å; D265-R287 IonicContact OD1-NE 3.24Å; D265-R287 PolarHBondContact OD1-NE 2.64Å; D265-R287 IonicContact OD1-NH2 2.63Å; D265-R287 PolarHBondContact OD1-NH2 3.41Å; D265-R287 IonicContact OD2-CZ 2.99Å; D265-R287 VanDerWaalsContact OD2-CZ 3.27Å; D265-R287 IonicContact OD2-NE 3.32Å; D265-R287 PolarHBondContact OD2-NE 2.86Å; D265-R287 IonicContact OD2-NH2 3.64Å; D265-R287 PolarHBondContact OD2-NH2 3.07Å; D265-F289 HydrophobicContact CB-CD2 4.47Å; D265-F289 HydrophobicContact CB-CE2 4.11Å
266	L	98.9	Very high	93.3	Very high	1 Å²	1	34.4 Å²	34.4	1%	0.005	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	127.4	170.4	177.3	72.6	0	0	0	109.9	A192 V194 V219 V268 L280 I285 R287 V288 F289	A192-L266 HydrophobicContact CB-CD1 4.04Å; V194-L266 HydrophobicContact CG2-CD1 3.94Å; V219-L266 HydrophobicContact CG1-CD2 4.07Å; V219-L266 HydrophobicContact CG2-CD2 3.99Å; L266-V268 HydrophobicContact CD2-CB 4.32Å; L266-V268 HydrophobicContact CD2-CG1 4.24Å; L266-V268 HydrophobicContact CG-CB 4.31Å; L266-V268 HydrophobicContact CG-CG1 4.5Å; L266-L280 HydrophobicContact CD2-CD1 3.67Å; L266-L280 HydrophobicContact CD2-CD2 3.77Å; L266-L280 HydrophobicContact CD2-CG 4.34Å; L266-I285 HydrophobicContact CB-CD1 4.15Å; L266-I285 HydrophobicContact CB-CG1 4.26Å; L266-R287 PolarHBondContact N-O 3.36Å; L266-V288 HydrophobicContact CB-CG1 4.46Å; L266-V288 HydrophobicContact CB-CG2 4.24Å; L266-V288 HydrophobicContact CD2-CG1 4.06Å; L266-V288 HydrophobicContact CD2-CG2 4.37Å; L266-V288 CarbonylContact O-C 3.46Å; L266-V288 WeakPolarHBondContact O-CA 3.39Å; L266-F289 PolarHBondContact O-N 3.27Å
267	Y	98.9	Very high	94.9	Very high	6 Å²	6	29.9 Å²	29.9	2%	0.024	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	121.1	165.2	-66.4	-96.7	0	0	0	108.6	M168 F171 M172 A192 A193 V195 D265 F289	M168-Y267 HydrophobicContact CB-CE1 3.95Å; M168-Y267 HydrophobicContact CG-CE1 4.03Å; M168-Y267 WeakPolarHBondContact CG-OH 3.43Å; F171-Y267 HydrophobicContact CB-CD1 4.07Å; F171-Y267 HydrophobicContact CB-CD2 3.64Å; F171-Y267 HydrophobicContact CB-CE1 4.24Å; F171-Y267 HydrophobicContact CB-CE2 3.8Å; F171-Y267 HydrophobicContact CB-CG 3.79Å; F171-Y267 HydrophobicContact CD2-CD2 4.31Å; F171-Y267 HydrophobicContact CD2-CE1 4.42Å; F171-Y267 AromaticContact CD2-CE2 3.6Å; F171-Y267 HydrophobicContact CD2-CE2 3.6Å; F171-Y267 AromaticContact CD2-CZ 3.68Å; F171-Y267 HydrophobicContact CG-CD2 4.33Å; F171-Y267 HydrophobicContact CG-CE2 4.07Å; M172-Y267 HydrophobicContact CB-CD1 4.27Å; M172-Y267 HydrophobicContact CE-CD1 4.34Å; A192-Y267 CarbonylContact C-O 3.58Å; A192-Y267 WeakPolarHBondContact CA-O 3.3Å; A193-Y267 PolarHBondContact N-O 2.88Å; A193-Y267 PolarHBondContact O-N 3.08Å; V195-Y267 HydrophobicContact CB-CD2 4.37Å; V195-Y267 HydrophobicContact CB-CE2 4.11Å; V195-Y267 HydrophobicContact CG2-CD2 3.74Å; V195-Y267 HydrophobicContact CG2-CE2 3.83Å; D265-Y267 HydrophobicContact CB-CE2 3.96Å; Y267-F289 CarbonylContact C-O 3.4Å; Y267-F289 WeakPolarHBondContact CA-O 3.41Å; Y267-F289 HydrophobicContact CD1-CB 3.58Å; Y267-F289 HydrophobicContact CD1-CD2 4.08Å; Y267-F289 AromaticContact CD1-CG 3.98Å; Y267-F289 HydrophobicContact CD1-CG 3.98Å; Y267-F289 HydrophobicContact CD2-CD2 4.39Å; Y267-F289 HydrophobicContact CE1-CB 3.72Å; Y267-F289 HydrophobicContact CE1-CD1 4.26Å; Y267-F289 AromaticContact CE1-CD2 3.58Å; Y267-F289 HydrophobicContact CE1-CD2 3.58Å; Y267-F289 HydrophobicContact CE1-CE2 4.27Å; Y267-F289 AromaticContact CE1-CG 3.58Å; Y267-F289 HydrophobicContact CE1-CG 3.58Å; Y267-F289 AromaticContact CE2-CD2 3.95Å; Y267-F289 HydrophobicContact CE2-CD2 3.95Å; Y267-F289 HydrophobicContact CE2-CE2 4.34Å; Y267-F289 HydrophobicContact CG-CB 4.24Å; Y267-F289 HydrophobicContact CG-CD2 4.44Å; Y267-F289 AromaticContact CZ-CD2 3.5Å; Y267-F289 VanDerWaalsContact CZ-CD2 3.5Å; Y267-F289 AromaticContact CZ-CE2 3.84Å
268	V	98.9	Very high	96.3	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	135.9	-175.7	62.7	0	0	0	0	111.3	M172 V190 G191 A192 V219 L266 R270 P272 V288 F289 Y290 G291	M172-V268 WeakPolarHBondContact CE-O 3.5Å; V190-V268 HydrophobicContact CG1-CG2 4.36Å; G191-V268 WeakPolarHBondContact O-CA 3.24Å; A192-V268 HydrophobicContact CB-CB 4.32Å; A192-V268 HydrophobicContact CB-CG2 4.14Å; V219-V268 HydrophobicContact CG2-CG2 4.03Å; L266-V268 HydrophobicContact CD2-CB 4.32Å; L266-V268 HydrophobicContact CD2-CG1 4.24Å; L266-V268 HydrophobicContact CG-CB 4.31Å; L266-V268 HydrophobicContact CG-CG1 4.5Å; V268-R270 VanDerWaalsContact C-N 3.33Å; V268-R270 VanDerWaalsContact CG2-O 3.31Å; V268-R270 WeakPolarHBondContact CG2-O 3.38Å; V268-R270 PolarHBondContact O-N 3Å; V268-P272 HydrophobicContact CG1-CG 3.98Å; V268-V288 HydrophobicContact CG1-CG1 4.3Å; V268-F289 PolarHBondContact N-O 3.33Å; V268-Y290 WeakPolarHBondContact O-CA 3.48Å; V268-G291 PolarHBondContact O-N 3.23Å; V268-G291 VanDerWaalsContact O-N 3.15Å
269	T	98.6	Very high	97.2	Very high	3 Å²	3	27.5 Å²	27.5	2%	0.018	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.1	-34.9	-173.5	58.1	0	0	0	0	112.6	M172 A175 V176 A179 G191 A292 C326 L329	M172-T269 HydrophobicContact SD-CG2 4.37Å; A175-T269 HydrophobicContact CB-CG2 4.03Å; V176-T269 HydrophobicContact CB-CG2 4.37Å; V176-T269 HydrophobicContact CG2-CG2 3.75Å; A179-T269 HydrophobicContact CB-CG2 4.14Å; G191-T269 PolarHBondContact N-OG1 2.88Å; G191-T269 VanDerWaalsContact N-OG1 3.07Å; G191-T269 PolarHBondContact O-N 3.47Å; G191-T269 PolarHBondContact O-OG1 3.4Å; T269-A292 PolarHBondContact O-N 3.1Å; T269-C326 VanDerWaalsContact O-CB 3.25Å; T269-C326 WeakPolarHBondContact O-CB 3.43Å; T269-L329 HydrophobicContact CG2-CD1 3.93Å
270	R	98.3	Very high	97.8	Very high	53 Å²	53	21.3 Å²	21.3	20%	0.2	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	141.1	-179.5	-170.7	167.4	74.3	-167.2	3.2	110.7	E188 V190 V268 A292 A294	E188-R270 IonicContact OE2-CZ 3.19Å; E188-R270 IonicContact OE2-NH1 3.07Å; E188-R270 PolarHBondContact OE2-NH1 2.88Å; E188-R270 IonicContact OE2-NH2 3.6Å; E188-R270 PolarHBondContact OE2-NH2 3.36Å; V190-R270 HydrophobicContact CG1-CB 4.02Å; V190-R270 HydrophobicContact CG2-CB 4.15Å; V268-R270 VanDerWaalsContact C-N 3.33Å; V268-R270 VanDerWaalsContact CG2-O 3.31Å; V268-R270 WeakPolarHBondContact CG2-O 3.38Å; V268-R270 PolarHBondContact O-N 3Å; R270-A292 CarbonylContact C-O 3.58Å; R270-A294 HydrophobicContact CG-CB 3.81Å
271	E	98.6	Very high	98.1	Very high	4 Å²	4	19.4 Å²	19.4	2%	0.019	11%	0.114	C	C	.	.			trans	-52	129.1	178.7	-172	-172.7	168.4	0	0	111.3	Y290 A292 A294 G297 A298 L299 G300 T301	E271-Y290 HydrophobicContact CB-CD2 3.95Å; E271-Y290 HydrophobicContact CB-CE2 4.12Å; E271-Y290 HydrophobicContact CB-CG 4.22Å; E271-Y290 HydrophobicContact CG-CD1 4.32Å; E271-Y290 HydrophobicContact CG-CD2 4.36Å; E271-Y290 HydrophobicContact CG-CE1 4.17Å; E271-Y290 HydrophobicContact CG-CE2 4.24Å; E271-Y290 HydrophobicContact CG-CG 4.4Å; E271-A292 PolarHBondContact N-O 3.39Å; E271-A294 HydrophobicContact CB-CB 3.96Å; E271-A294 PolarHBondContact OE2-N 3.27Å; E271-G297 VanDerWaalsContact CD-CA 3.4Å; E271-G297 WeakPolarHBondContact OE1-CA 3.2Å; E271-A298 PolarHBondContact OE1-N 2.89Å; E271-L299 HydrophobicContact CG-CB 4.33Å; E271-L299 PolarHBondContact OE1-N 2.81Å; E271-G300 PolarHBondContact OE1-N 2.84Å; E271-T301 PolarHBondContact OE1-N 3.48Å; E271-T301 VanDerWaalsContact OE2-CB 3.25Å; E271-T301 WeakPolarHBondContact OE2-CB 3.47Å; E271-T301 PolarHBondContact OE2-OG1 2.98Å
272	P	98.6	Very high	98.2	Very high	5 Å²	5	24.5 Å²	24.5	3%	0.032	14%	0.138	C	C	.	.			trans	-60.3	135.3	178.2	-27.4	36.8	0	0	0	113.2	V219 V268 C276 L280 V288 A298 L299	V219-P272 HydrophobicContact CG2-CG 4.28Å; V268-P272 HydrophobicContact CG1-CG 3.98Å; P272-C276 HydrophobicContact CB-CB 3.81Å; P272-L280 HydrophobicContact CG-CD1 4.3Å; P272-V288 HydrophobicContact CG-CG1 4.49Å; P272-A298 PolarHBondContact O-N 3.5Å; P272-L299 HydrophobicContact CB-CD1 4.13Å; P272-L299 HydrophobicContact CB-CG 4.37Å; P272-L299 HydrophobicContact CG-CD1 3.67Å; P272-L299 HydrophobicContact CG-CG 4.39Å
273	C	98.3	Very high	98.2	Very high	13 Å²	13	22.7 Å²	22.7	9%	0.088	13%	0.125	C	C	.	.	B	Isolated β-bridge	trans	-70.3	174.3	169.2	75	0	0	0	0	111.9	H217 M275 C276 A277 D296	H217-C273 VanDerWaalsContact CE1-SG 3.54Å; C273-M275 VanDerWaalsContact C-N 3.32Å; C273-M275 PolarHBondContact O-N 2.92Å; C273-C276 PolarHBondContact O-N 3.44Å; C273-C276 VanDerWaalsContact O-N 3.15Å; C273-A277 WeakPolarHBondContact O-CB 3.23Å; C273-A277 PolarHBondContact O-N 2.99Å; C273-D296 WeakPolarHBondContact CA-O 3.38Å; C273-D296 VanDerWaalsContact CB-OD2 3.22Å; C273-D296 WeakPolarHBondContact CB-OD2 3.44Å
274	V	98.3	Very high	98.3	Very high	67 Å²	67	25.3 Å²	25.3	41%	0.406	12%	0.121	S	C	.	.	H	α-helix	trans	-53.1	-45	-178.6	173.8	0	0	0	0	112.8	A277 M278 A298 F303 I305	V274-A277 PolarHBondContact O-N 3.37Å; V274-M278 WeakPolarHBondContact O-CB 3.43Å; V274-M278 PolarHBondContact O-N 3.04Å; V274-A298 VanDerWaalsContact CA-CB 3.5Å; V274-A298 HydrophobicContact CB-CB 4.21Å; V274-A298 HydrophobicContact CG2-CB 3.68Å; V274-F303 HydrophobicContact CG2-CD2 3.54Å; V274-F303 HydrophobicContact CG2-CE2 3.63Å; V274-I305 HydrophobicContact CB-CD1 4.35Å; V274-I305 HydrophobicContact CG1-CD1 3.96Å; V274-I305 HydrophobicContact CG2-CD1 4.44Å
275	M	98.4	Very high	98.3	Very high	61 Å²	61	23.8 Å²	23.8	30%	0.3	12%	0.116	S	C	.	.	H	α-helix	trans	-60.2	-51	178.5	178	-172	69.6	0	0	111.3	L215 H217 M220 C273 M278 A279	L215-M275 HydrophobicContact CB-CE 4.47Å; L215-M275 HydrophobicContact CB-SD 4.17Å; L215-M275 HydrophobicContact CD2-SD 3.66Å; L215-M275 HydrophobicContact CG-SD 4.41Å; H217-M275 HydrophobicContact CB-CE 4.36Å; M220-M275 HydrophobicContact CG-CE 3.91Å; C273-M275 VanDerWaalsContact C-N 3.32Å; C273-M275 PolarHBondContact O-N 2.92Å; M275-M278 PolarHBondContact O-N 3.34Å; M275-A279 WeakPolarHBondContact O-CB 3.4Å; M275-A279 PolarHBondContact O-N 3.31Å
276	C	98.6	Very high	98.3	Very high	2 Å²	2	24.7 Å²	24.7	1%	0.014	13%	0.126	C	C	.	.	H	α-helix	trans	-66.3	-41	-178.8	-66	0	0	0	0	111.9	H217 V219 P272 C273 M278 A279 L280	H217-C276 WeakPolarHBondContact CB-SG 3.49Å; H217-C276 PolarHBondContact ND1-SG 3.32Å; H217-C276 VanDerWaalsContact ND1-SG 3.37Å; V219-C276 HydrophobicContact CB-CB 3.87Å; V219-C276 HydrophobicContact CG1-CB 4.01Å; V219-C276 HydrophobicContact CG2-CB 4.11Å; P272-C276 HydrophobicContact CB-CB 3.81Å; C273-C276 PolarHBondContact O-N 3.44Å; C273-C276 VanDerWaalsContact O-N 3.15Å; C276-M278 VanDerWaalsContact C-N 3.35Å; C276-M278 PolarHBondContact O-N 2.93Å; C276-A279 PolarHBondContact O-N 3.47Å; C276-L280 VanDerWaalsContact O-CG 3.27Å; C276-L280 WeakPolarHBondContact O-CG 3.39Å; C276-L280 PolarHBondContact O-N 3.42Å
277	A	98.6	Very high	98.3	Very high	0 Å²	0	28 Å²	28	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-61.4	-41.9	176.1	0	0	0	0	0	111.8	C273 V274 L280 V281 A298 L299 I305	C273-A277 WeakPolarHBondContact O-CB 3.23Å; C273-A277 PolarHBondContact O-N 2.99Å; V274-A277 PolarHBondContact O-N 3.37Å; A277-L280 WeakPolarHBondContact O-CB 3.35Å; A277-L280 PolarHBondContact O-N 3.43Å; A277-V281 PolarHBondContact O-N 2.87Å; A277-A298 HydrophobicContact CB-CB 3.88Å; A277-L299 HydrophobicContact CB-CD2 3.63Å; A277-L299 HydrophobicContact CB-CG 4.13Å; A277-I305 HydrophobicContact CB-CB 4.25Å; A277-I305 HydrophobicContact CB-CD1 3.88Å; A277-I305 HydrophobicContact CB-CG2 4.46Å
278	M	98.3	Very high	98.3	Very high	54 Å²	54	27.7 Å²	27.7	27%	0.266	14%	0.137	S	C	.	.	H	α-helix	trans	-71.2	-35.6	176.1	-164.8	62.3	-153.1	0	0	112.4	V274 M275 C276 L280 V281 H282 I305 L311	V274-M278 WeakPolarHBondContact O-CB 3.43Å; V274-M278 PolarHBondContact O-N 3.04Å; M275-M278 PolarHBondContact O-N 3.34Å; C276-M278 VanDerWaalsContact C-N 3.35Å; C276-M278 PolarHBondContact O-N 2.93Å; M278-L280 PolarHBondContact O-N 3.44Å; M278-V281 HydrophobicContact CE-CB 4.11Å; M278-V281 HydrophobicContact CE-CG1 3.95Å; M278-V281 WeakPolarHBondContact O-CB 3.46Å; M278-V281 PolarHBondContact O-N 2.95Å; M278-V281 HydrophobicContact SD-CB 4.24Å; M278-V281 HydrophobicContact SD-CG2 4.18Å; M278-H282 VanDerWaalsContact CE-NE2 3.29Å; M278-H282 WeakPolarHBondContact CE-NE2 3.16Å; M278-H282 PolarHBondContact O-CD2 2.77Å; M278-H282 VanDerWaalsContact O-CD2 3.24Å; M278-H282 PolarHBondContact O-N 2.83Å; M278-I305 HydrophobicContact SD-CG2 4.43Å; M278-L311 HydrophobicContact CE-CD2 4.09Å; M278-L311 HydrophobicContact SD-CD1 4.35Å; M278-L311 HydrophobicContact SD-CD2 4.4Å
279	A	98.3	Very high	98.3	Very high	17 Å²	17	27.7 Å²	27.7	14%	0.14	14%	0.137	C	C	.	.	H	α-helix	trans	-59.7	-37.2	172.4	0	0	0	0	0	111.9	M220 I223 M275 C276 H282 S283	M220-A279 HydrophobicContact CE-CB 3.98Å; M220-A279 HydrophobicContact SD-CB 3.4Å; M220-A279 WeakPolarHBondContact SD-CB 3.47Å; I223-A279 HydrophobicContact CD1-CB 3.84Å; M275-A279 WeakPolarHBondContact O-CB 3.4Å; M275-A279 PolarHBondContact O-N 3.31Å; C276-A279 PolarHBondContact O-N 3.47Å; A279-H282 CarbonylContact O-C 3.52Å; A279-H282 PolarHBondContact O-N 3.48Å; A279-S283 WeakPolarHBondContact O-CB 3.3Å; A279-S283 PolarHBondContact O-N 2.84Å; A279-S283 PolarHBondContact O-OG 3.45Å
280	L	98.6	Very high	98.3	Very high	1 Å²	1	27.9 Å²	27.9	1%	0.005	14%	0.137	C	C	.	.	H	α-helix	trans	-66.5	-34.9	176	-72.5	166	0	0	0	113.4	V219 I223 L266 P272 C276 A277 M278 S283 R284 I285 V288 F315	V219-L280 HydrophobicContact CG1-CD1 3.96Å; V219-L280 HydrophobicContact CG1-CD2 3.94Å; V219-L280 HydrophobicContact CG1-CG 3.85Å; I223-L280 HydrophobicContact CD1-CD2 4.31Å; L266-L280 HydrophobicContact CD2-CD1 3.67Å; L266-L280 HydrophobicContact CD2-CD2 3.77Å; L266-L280 HydrophobicContact CD2-CG 4.34Å; P272-L280 HydrophobicContact CG-CD1 4.3Å; C276-L280 VanDerWaalsContact O-CG 3.27Å; C276-L280 WeakPolarHBondContact O-CG 3.39Å; C276-L280 PolarHBondContact O-N 3.42Å; A277-L280 WeakPolarHBondContact O-CB 3.35Å; A277-L280 PolarHBondContact O-N 3.43Å; M278-L280 PolarHBondContact O-N 3.44Å; L280-S283 WeakPolarHBondContact CA-OG 3.45Å; L280-S283 PolarHBondContact O-OG 3.24Å; L280-R284 PolarHBondContact O-N 3.05Å; L280-I285 HydrophobicContact CB-CB 4.39Å; L280-I285 HydrophobicContact CB-CG2 3.78Å; L280-I285 HydrophobicContact CD2-CB 3.93Å; L280-I285 HydrophobicContact CD2-CD1 4.31Å; L280-I285 HydrophobicContact CD2-CG1 4Å; L280-I285 HydrophobicContact CD2-CG2 4.07Å; L280-I285 HydrophobicContact CG-CG2 4.45Å; L280-I285 PolarHBondContact O-N 3.1Å; L280-I285 VanDerWaalsContact O-N 3.16Å; L280-V288 HydrophobicContact CD1-CG2 3.99Å; L280-F315 HydrophobicContact CB-CE1 4.48Å; L280-F315 HydrophobicContact CB-CZ 4.26Å
281	V	98.1	Very high	98.2	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-60.3	-50.7	169.1	178.2	0	0	0	0	109.5	A277 M278 S283 R284 I305 L311 H313 F315	A277-V281 PolarHBondContact O-N 2.87Å; M278-V281 HydrophobicContact CE-CB 4.11Å; M278-V281 HydrophobicContact CE-CG1 3.95Å; M278-V281 WeakPolarHBondContact O-CB 3.46Å; M278-V281 PolarHBondContact O-N 2.95Å; M278-V281 HydrophobicContact SD-CB 4.24Å; M278-V281 HydrophobicContact SD-CG2 4.18Å; V281-S283 VanDerWaalsContact C-N 3.3Å; V281-S283 PolarHBondContact O-N 2.87Å; V281-R284 PolarHBondContact O-N 2.78Å; V281-R284 VanDerWaalsContact O-N 3.14Å; V281-I305 HydrophobicContact CG2-CG2 3.92Å; V281-L311 HydrophobicContact CG2-CD1 4.16Å; V281-H313 HydrophobicContact CG1-CB 4.08Å; V281-F315 HydrophobicContact CG2-CE1 3.75Å
282	H	97.4	Very high	98.2	Very high	107 Å²	107	25.4 Å²	25.4	50%	0.495	13%	0.129	S	C	.	.	H	α-helix	trans	-66.7	-28.3	-178.6	-72.5	-56.5	0	0	0	114	Y259 M278 A279 R284	Y259-H282 VanDerWaalsContact CE1-O 3.23Å; Y259-H282 WeakPolarHBondContact CE1-O 3.22Å; Y259-H282 PolarHBondContact OH-O 2.66Å; Y259-H282 VanDerWaalsContact OH-O 3.13Å; M278-H282 VanDerWaalsContact CE-NE2 3.29Å; M278-H282 WeakPolarHBondContact CE-NE2 3.16Å; M278-H282 PolarHBondContact O-CD2 2.77Å; M278-H282 VanDerWaalsContact O-CD2 3.24Å; M278-H282 PolarHBondContact O-N 2.83Å; A279-H282 CarbonylContact O-C 3.52Å; A279-H282 PolarHBondContact O-N 3.48Å; H282-R284 VanDerWaalsContact C-N 3.32Å
283	S	97	Very high	98.1	Very high	3 Å²	3	28.1 Å²	28.1	2%	0.021	15%	0.152	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.9	2.5	176.1	73	0	0	0	0	113.5	C261 S262 A279 L280 V281 I285	C261-S283 CarbonylContact C-O 3.41Å; C261-S283 VanDerWaalsContact C-O 3.23Å; C261-S283 WeakPolarHBondContact CA-O 3.45Å; C261-S283 WeakPolarHBondContact CB-O 3.47Å; C261-S283 PolarHBondContact N-O 2.89Å; S262-S283 PolarHBondContact N-O 2.63Å; A279-S283 WeakPolarHBondContact O-CB 3.3Å; A279-S283 PolarHBondContact O-N 2.84Å; A279-S283 PolarHBondContact O-OG 3.45Å; L280-S283 WeakPolarHBondContact CA-OG 3.45Å; L280-S283 PolarHBondContact O-OG 3.24Å; V281-S283 VanDerWaalsContact C-N 3.3Å; V281-S283 PolarHBondContact O-N 2.87Å; S283-I285 VanDerWaalsContact C-N 3.31Å; S283-I285 PolarHBondContact O-N 3.24Å
284	R	97.3	Very high	98	Very high	98 Å²	98	28 Å²	28	37%	0.37	15%	0.152	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.3	36.5	178.1	-55.5	-61.6	-170.1	121.1	3.7	114.5	Y259 S262 G263 L280 V281 H282 H313	Y259-R284 HydrophobicContact CD1-CB 4.48Å; Y259-R284 HydrophobicContact CD1-CG 3.89Å; Y259-R284 HydrophobicContact CE1-CG 3.93Å; S262-R284 VanDerWaalsContact CA-O 3.31Å; S262-R284 WeakPolarHBondContact CA-O 3.29Å; G263-R284 PolarHBondContact N-O 3.48Å; G263-R284 VanDerWaalsContact N-O 3.09Å; L280-R284 PolarHBondContact O-N 3.05Å; V281-R284 PolarHBondContact O-N 2.78Å; V281-R284 VanDerWaalsContact O-N 3.14Å; H282-R284 VanDerWaalsContact C-N 3.32Å; R284-H313 VanDerWaalsContact C-NE2 3.34Å; R284-H313 WeakPolarHBondContact CA-NE2 3.27Å; R284-H313 VanDerWaalsContact CD-CG 3.5Å; R284-H313 WeakPolarHBondContact CD-ND1 3.24Å
285	I	98.3	Very high	97.9	Very high	1 Å²	1	28.6 Å²	28.6	1%	0.005	16%	0.164	C	C	.	.			trans	-53.8	144.4	178.3	-160.6	69.5	0	0	0	110.9	C261 Y264 L266 L280 S283 V288 H313 F315	C261-I285 HydrophobicContact CB-CD1 3.76Å; C261-I285 WeakPolarHBondContact O-CA 3.49Å; Y264-I285 WeakPolarHBondContact O-CD1 3.44Å; Y264-I285 VanDerWaalsContact O-CG1 3.3Å; Y264-I285 WeakPolarHBondContact O-CG1 3.34Å; L266-I285 HydrophobicContact CB-CD1 4.15Å; L266-I285 HydrophobicContact CB-CG1 4.26Å; L280-I285 HydrophobicContact CB-CB 4.39Å; L280-I285 HydrophobicContact CB-CG2 3.78Å; L280-I285 HydrophobicContact CD2-CB 3.93Å; L280-I285 HydrophobicContact CD2-CD1 4.31Å; L280-I285 HydrophobicContact CD2-CG1 4Å; L280-I285 HydrophobicContact CD2-CG2 4.07Å; L280-I285 HydrophobicContact CG-CG2 4.45Å; L280-I285 PolarHBondContact O-N 3.1Å; L280-I285 VanDerWaalsContact O-N 3.16Å; S283-I285 VanDerWaalsContact C-N 3.31Å; S283-I285 PolarHBondContact O-N 3.24Å; I285-V288 HydrophobicContact CG1-CG2 4.32Å; I285-V288 HydrophobicContact CG2-CG2 4.04Å; I285-H313 PolarHBondContact O-NE2 2.86Å; I285-F315 HydrophobicContact CG2-CB 3.91Å; I285-F315 HydrophobicContact CG2-CD1 3.85Å; I285-F315 HydrophobicContact CG2-CD2 3.79Å; I285-F315 HydrophobicContact CG2-CE1 4.25Å; I285-F315 HydrophobicContact CG2-CE2 4.19Å; I285-F315 HydrophobicContact CG2-CG 3.6Å; I285-F315 HydrophobicContact CG2-CZ 4.4Å; I285-F315 WeakPolarHBondContact O-CB 3.45Å
286	G	98.1	Very high	97.7	Very high	23 Å²	23	29 Å²	29	24%	0.237	17%	0.168	C	C	.	.	S	Bend	trans	-82.3	-52.5	176.9	0	0	0	0	0	112.7	Y264 F315 Q316	Y264-G286 WeakPolarHBondContact O-CA 3.4Å; Y264-G286 PolarHBondContact O-N 3.42Å; G286-F315 WeakPolarHBondContact O-CA 3.31Å; G286-F315 VanDerWaalsContact O-CB 3.3Å; G286-F315 WeakPolarHBondContact O-CB 3.37Å; G286-Q316 PolarHBondContact O-N 2.75Å
287	R	98.5	Very high	97.7	Very high	70 Å²	70	28.9 Å²	28.9	26%	0.264	17%	0.167	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	154.1	-179.9	-49.5	180	-75.2	-165.5	-5.6	112.1	Y264 D265 L266 F289 Q316	Y264-R287 PolarHBondContact O-N 2.89Å; D265-R287 CarbonylContact C-O 3.31Å; D265-R287 WeakPolarHBondContact CA-O 3.28Å; D265-R287 VanDerWaalsContact OD1-CB 3.28Å; D265-R287 WeakPolarHBondContact OD1-CB 3.45Å; D265-R287 WeakPolarHBondContact OD1-CG 3.33Å; D265-R287 IonicContact OD1-CZ 3.27Å; D265-R287 IonicContact OD1-NE 3.24Å; D265-R287 PolarHBondContact OD1-NE 2.64Å; D265-R287 IonicContact OD1-NH2 2.63Å; D265-R287 PolarHBondContact OD1-NH2 3.41Å; D265-R287 IonicContact OD2-CZ 2.99Å; D265-R287 VanDerWaalsContact OD2-CZ 3.27Å; D265-R287 IonicContact OD2-NE 3.32Å; D265-R287 PolarHBondContact OD2-NE 2.86Å; D265-R287 IonicContact OD2-NH2 3.64Å; D265-R287 PolarHBondContact OD2-NH2 3.07Å; L266-R287 PolarHBondContact N-O 3.36Å; R287-F289 HydrophobicContact CB-CE2 3.82Å; R287-F289 HydrophobicContact CB-CZ 4.21Å; R287-Q316 CarbonylContact C-O 3.6Å; R287-Q316 VanDerWaalsContact CA-O 3.24Å; R287-Q316 WeakPolarHBondContact CA-O 3.44Å; R287-Q316 HydrophobicContact CG-CB 4.14Å
288	V	98.8	Very high	97.7	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	130.9	174.5	-179.2	0	0	0	0	109.6	L266 V268 P272 L280 I285 L299 F315 Q316 V317 Y318	L266-V288 HydrophobicContact CB-CG1 4.46Å; L266-V288 HydrophobicContact CB-CG2 4.24Å; L266-V288 HydrophobicContact CD2-CG1 4.06Å; L266-V288 HydrophobicContact CD2-CG2 4.37Å; L266-V288 CarbonylContact O-C 3.46Å; L266-V288 WeakPolarHBondContact O-CA 3.39Å; V268-V288 HydrophobicContact CG1-CG1 4.3Å; P272-V288 HydrophobicContact CG-CG1 4.49Å; L280-V288 HydrophobicContact CD1-CG2 3.99Å; I285-V288 HydrophobicContact CG1-CG2 4.32Å; I285-V288 HydrophobicContact CG2-CG2 4.04Å; V288-L299 HydrophobicContact CB-CD1 4.17Å; V288-L299 HydrophobicContact CG1-CD1 3.75Å; V288-L299 HydrophobicContact CG2-CD1 4.34Å; V288-F315 HydrophobicContact CB-CD2 4.49Å; V288-F315 HydrophobicContact CB-CE2 4.32Å; V288-F315 HydrophobicContact CG2-CD2 3.74Å; V288-F315 HydrophobicContact CG2-CE2 3.54Å; V288-Q316 PolarHBondContact N-O 3.32Å; V288-V317 HydrophobicContact CB-CG2 4.31Å; V288-V317 CarbonylContact O-C 3.53Å; V288-V317 WeakPolarHBondContact O-CA 3.26Å; V288-Y318 PolarHBondContact O-N 2.94Å
289	F	98.8	Very high	97.7	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	117.8	175.4	-59.9	-88.2	0	0	0	108	F160 M168 M172 D265 L266 Y267 V268 R287 Y318 V321	F160-F289 HydrophobicContact CE1-CE1 4.26Å; F160-F289 HydrophobicContact CE1-CZ 4.3Å; F160-F289 AromaticContact CE2-CE1 3.99Å; F160-F289 HydrophobicContact CE2-CE1 3.99Å; F160-F289 AromaticContact CZ-CE1 3.57Å; F160-F289 HydrophobicContact CZ-CE1 3.57Å; F160-F289 AromaticContact CZ-CZ 3.94Å; F160-F289 HydrophobicContact CZ-CZ 3.94Å; M168-F289 HydrophobicContact CE-CD1 3.69Å; M168-F289 HydrophobicContact CE-CE1 3.6Å; M168-F289 HydrophobicContact CE-CZ 4.47Å; M172-F289 WeakPolarHBondContact CE-O 3.27Å; D265-F289 HydrophobicContact CB-CD2 4.47Å; D265-F289 HydrophobicContact CB-CE2 4.11Å; L266-F289 PolarHBondContact O-N 3.27Å; Y267-F289 CarbonylContact C-O 3.4Å; Y267-F289 WeakPolarHBondContact CA-O 3.41Å; Y267-F289 HydrophobicContact CD1-CB 3.58Å; Y267-F289 HydrophobicContact CD1-CD2 4.08Å; Y267-F289 AromaticContact CD1-CG 3.98Å; Y267-F289 HydrophobicContact CD1-CG 3.98Å; Y267-F289 HydrophobicContact CD2-CD2 4.39Å; Y267-F289 HydrophobicContact CE1-CB 3.72Å; Y267-F289 HydrophobicContact CE1-CD1 4.26Å; Y267-F289 AromaticContact CE1-CD2 3.58Å; Y267-F289 HydrophobicContact CE1-CD2 3.58Å; Y267-F289 HydrophobicContact CE1-CE2 4.27Å; Y267-F289 AromaticContact CE1-CG 3.58Å; Y267-F289 HydrophobicContact CE1-CG 3.58Å; Y267-F289 AromaticContact CE2-CD2 3.95Å; Y267-F289 HydrophobicContact CE2-CD2 3.95Å; Y267-F289 HydrophobicContact CE2-CE2 4.34Å; Y267-F289 HydrophobicContact CG-CB 4.24Å; Y267-F289 HydrophobicContact CG-CD2 4.44Å; Y267-F289 AromaticContact CZ-CD2 3.5Å; Y267-F289 VanDerWaalsContact CZ-CD2 3.5Å; Y267-F289 AromaticContact CZ-CE2 3.84Å; V268-F289 PolarHBondContact N-O 3.33Å; R287-F289 HydrophobicContact CB-CE2 3.82Å; R287-F289 HydrophobicContact CB-CZ 4.21Å; F289-Y318 WeakPolarHBondContact CA-O 3.19Å; F289-Y318 AromaticContact CD1-CD2 3.87Å; F289-Y318 HydrophobicContact CD1-CD2 3.87Å; F289-Y318 HydrophobicContact CD1-CG 4Å; F289-Y318 AromaticContact CE1-CD2 3.32Å; F289-Y318 HydrophobicContact CE1-CD2 3.32Å; F289-Y318 HydrophobicContact CE1-CE2 4.06Å; F289-Y318 AromaticContact CE1-CG 3.69Å; F289-Y318 HydrophobicContact CE1-CG 3.69Å; F289-Y318 AromaticContact CZ-CD2 3.78Å; F289-Y318 HydrophobicContact CZ-CD2 3.78Å; F289-Y318 HydrophobicContact CZ-CE2 4.17Å; F289-V321 HydrophobicContact CB-CG2 4.12Å; F289-V321 HydrophobicContact CD1-CG2 4.15Å
290	Y	98.7	Very high	97.5	Very high	6 Å²	6	26.6 Å²	26.6	2%	0.024	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	148.5	175.3	71.9	-97	0	0	0	113.4	V26 V268 E271 L299 V317 Y318 R319 G320	V26-Y290 HydrophobicContact CG2-CE1 3.94Å; V268-Y290 WeakPolarHBondContact O-CA 3.48Å; E271-Y290 HydrophobicContact CB-CD2 3.95Å; E271-Y290 HydrophobicContact CB-CE2 4.12Å; E271-Y290 HydrophobicContact CB-CG 4.22Å; E271-Y290 HydrophobicContact CG-CD1 4.32Å; E271-Y290 HydrophobicContact CG-CD2 4.36Å; E271-Y290 HydrophobicContact CG-CE1 4.17Å; E271-Y290 HydrophobicContact CG-CE2 4.24Å; E271-Y290 HydrophobicContact CG-CG 4.4Å; Y290-L299 HydrophobicContact CE1-CB 4.48Å; Y290-V317 HydrophobicContact CD1-CG1 3.91Å; Y290-V317 HydrophobicContact CE1-CG1 3.64Å; Y290-Y318 PolarHBondContact N-O 2.92Å; Y290-R319 HydrophobicContact CD1-CB 4.42Å; Y290-R319 HydrophobicContact CD2-CB 4.18Å; Y290-R319 HydrophobicContact CE1-CB 3.82Å; Y290-R319 HydrophobicContact CE2-CB 3.5Å; Y290-R319 CarbonylContact O-C 2.99Å; Y290-R319 WeakPolarHBondContact O-CA 3.46Å; Y290-R319 WeakPolarHBondContact OH-CB 3.49Å; Y290-G320 PolarHBondContact O-N 3.31Å
291	G	97.8	Very high	97.4	Very high	3 Å²	3	29.8 Å²	29.8	3%	0.031	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	-73.8	179	0	0	0	0	0	112.7	V268 V321	V268-G291 PolarHBondContact O-N 3.23Å; V268-G291 VanDerWaalsContact O-N 3.15Å; G291-V321 WeakPolarHBondContact CA-O 3.39Å
292	A	97.2	Very high	97.3	Very high	2 Å²	2	38 Å²	38	2%	0.017	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	141.3	-178.1	0	0	0	0	0	112	T269 R270 E271 C326 E327	T269-A292 PolarHBondContact O-N 3.1Å; R270-A292 CarbonylContact C-O 3.58Å; E271-A292 PolarHBondContact N-O 3.39Å; A292-C326 HydrophobicContact CB-CB 3.93Å; A292-E327 HydrophobicContact CB-CG 3.83Å
293	A	97	Very high	97.2	Very high	62 Å²	62	38.2 Å²	38.2	51%	0.512	21%	0.209	S	C	.	.			trans	-68.7	156.9	170	0	0	0	0	0	110.8
294	A	95.9	Very high	97.2	Very high	10 Å²	10	39.2 Å²	39.2	8%	0.083	21%	0.213	C	C	.	.			trans	-129.5	143.1	177.8	0	0	0	0	0	111.1	R270 E271 D296 G297 T301	R270-A294 HydrophobicContact CG-CB 3.81Å; E271-A294 HydrophobicContact CB-CB 3.96Å; E271-A294 PolarHBondContact OE2-N 3.27Å; A294-D296 WeakPolarHBondContact CB-OD1 3.39Å; A294-D296 PolarHBondContact O-N 3.5Å; A294-G297 WeakPolarHBondContact O-CA 3.49Å; A294-G297 PolarHBondContact O-N 3.4Å; A294-T301 VanDerWaalsContact O-CB 3.27Å; A294-T301 WeakPolarHBondContact O-CB 3.43Å; A294-T301 WeakPolarHBondContact O-CG2 3.47Å; A294-T301 PolarHBondContact O-OG1 2.93Å
295	A	95.6	Very high	97.2	Very high	81 Å²	81	35.5 Å²	35.5	67%	0.669	20%	0.2	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62	-26.6	-179.8	0	0	0	0	0	113.3	R302	A295-R302 WeakPolarHBondContact O-CD 3.47Å; A295-R302 WeakPolarHBondContact O-CG 3.27Å; A295-R302 PolarHBondContact O-NE 3.48Å
296	D	95.5	Very high	97.2	Very high	69 Å²	69	36 Å²	36	37%	0.369	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	-100.2	10.2	173.5	68.4	-32.2	0	0	0	113.2	C273 A294	C273-D296 WeakPolarHBondContact CA-O 3.38Å; C273-D296 VanDerWaalsContact CB-OD2 3.22Å; C273-D296 WeakPolarHBondContact CB-OD2 3.44Å; A294-D296 WeakPolarHBondContact CB-OD1 3.39Å; A294-D296 PolarHBondContact O-N 3.5Å
297	G	97.6	Very high	97	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	20%	0.199	C	C	.	.	B	Isolated β-bridge	trans	-63.2	134.2	-175.6	0	0	0	0	0	113.2	E271 A294 R302 F303	E271-G297 VanDerWaalsContact CD-CA 3.4Å; E271-G297 WeakPolarHBondContact OE1-CA 3.2Å; A294-G297 WeakPolarHBondContact O-CA 3.49Å; A294-G297 PolarHBondContact O-N 3.4Å; G297-R302 WeakPolarHBondContact O-CB 3.33Å; G297-R302 PolarHBondContact O-N 3.49Å; G297-F303 PolarHBondContact O-N 3.35Å
298	A	98.3	Very high	96.9	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	-116.2	10.2	-172.1	0	0	0	0	0	114.3	E271 P272 V274 A277 F303 I305	E271-A298 PolarHBondContact OE1-N 2.89Å; P272-A298 PolarHBondContact O-N 3.5Å; V274-A298 VanDerWaalsContact CA-CB 3.5Å; V274-A298 HydrophobicContact CB-CB 4.21Å; V274-A298 HydrophobicContact CG2-CB 3.68Å; A277-A298 HydrophobicContact CB-CB 3.88Å; A298-F303 CarbonylContact C-O 3.41Å; A298-F303 HydrophobicContact CB-CB 4.14Å; A298-F303 HydrophobicContact CB-CD2 4.21Å; A298-F303 CarbonylContact O-C 3.59Å; A298-F303 VanDerWaalsContact O-C 3.31Å; A298-I305 HydrophobicContact CB-CD1 3.79Å; A298-I305 HydrophobicContact CB-CG1 4.26Å; A298-I305 PolarHBondContact O-N 3.4Å
299	L	98.1	Very high	96.6	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	23%	0.231	C	C	.	.	B	Isolated β-bridge	trans	-114.6	-3	178	-62	-171.4	0	0	0	113.4	V26 E271 P272 A277 V288 Y290 F303 H306 F315 V317	V26-L299 WeakPolarHBondContact CG1-O 3.14Å; E271-L299 HydrophobicContact CG-CB 4.33Å; E271-L299 PolarHBondContact OE1-N 2.81Å; P272-L299 HydrophobicContact CB-CD1 4.13Å; P272-L299 HydrophobicContact CB-CG 4.37Å; P272-L299 HydrophobicContact CG-CD1 3.67Å; P272-L299 HydrophobicContact CG-CG 4.39Å; A277-L299 HydrophobicContact CB-CD2 3.63Å; A277-L299 HydrophobicContact CB-CG 4.13Å; V288-L299 HydrophobicContact CB-CD1 4.17Å; V288-L299 HydrophobicContact CG1-CD1 3.75Å; V288-L299 HydrophobicContact CG2-CD1 4.34Å; Y290-L299 HydrophobicContact CE1-CB 4.48Å; L299-F303 CarbonylContact C-O 3.59Å; L299-F303 PolarHBondContact N-O 2.94Å; L299-H306 HydrophobicContact CD2-CB 4.35Å; L299-H306 PolarHBondContact O-CE1 2.84Å; L299-F315 HydrophobicContact CD1-CE2 4.26Å; L299-F315 HydrophobicContact CD2-CE2 3.98Å; L299-F315 HydrophobicContact CD2-CZ 3.79Å; L299-V317 HydrophobicContact CB-CG1 3.97Å; L299-V317 HydrophobicContact CB-CG2 4.32Å; L299-V317 HydrophobicContact CD1-CG1 4.28Å; L299-V317 HydrophobicContact CD1-CG2 4.09Å; L299-V317 HydrophobicContact CD2-CG2 4.32Å
300	G	95.9	Very high	96.4	Very high	22 Å²	22	50.3 Å²	50.3	23%	0.227	27%	0.272	C	S	.	.	T	Hydrogen-bonded Turn	trans	-173.6	-24.4	175.2	0	0	0	0	0	116	E271 F303	E271-G300 PolarHBondContact OE1-N 2.84Å; G300-F303 PolarHBondContact N-O 3.16Å
301	T	96	Very high	96.2	Very high	68 Å²	68	52.3 Å²	52.3	42%	0.417	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.4	-65.1	-176.6	-63.5	0	0	0	0	113	E271 A294	E271-T301 PolarHBondContact OE1-N 3.48Å; E271-T301 VanDerWaalsContact OE2-CB 3.25Å; E271-T301 WeakPolarHBondContact OE2-CB 3.47Å; E271-T301 PolarHBondContact OE2-OG1 2.98Å; A294-T301 VanDerWaalsContact O-CB 3.27Å; A294-T301 WeakPolarHBondContact O-CB 3.43Å; A294-T301 WeakPolarHBondContact O-CG2 3.47Å; A294-T301 PolarHBondContact O-OG1 2.93Å
302	R	95.9	Very high	96	Very high	174 Å²	174	57.7 Å²	57.7	66%	0.657	31%	0.31	S	S	*	.	S	Bend	trans	-98	-38.9	179.1	-74.4	-170.7	139.2	157.2	-8.3	113.2	A295 G297	A295-R302 WeakPolarHBondContact O-CD 3.47Å; A295-R302 WeakPolarHBondContact O-CG 3.27Å; A295-R302 PolarHBondContact O-NE 3.48Å; G297-R302 WeakPolarHBondContact O-CB 3.33Å; G297-R302 PolarHBondContact O-N 3.49Å
303	F	95.9	Very high	95.9	Very high	111 Å²	111	59.3 Å²	59.3	49%	0.487	32%	0.318	S	S	.	.			trans	-130.7	164.6	-179.1	-53.3	-80.7	0	0	0	109.7	V274 G297 A298 L299 G300 I305	V274-F303 HydrophobicContact CG2-CD2 3.54Å; V274-F303 HydrophobicContact CG2-CE2 3.63Å; G297-F303 PolarHBondContact O-N 3.35Å; A298-F303 CarbonylContact C-O 3.41Å; A298-F303 HydrophobicContact CB-CB 4.14Å; A298-F303 HydrophobicContact CB-CD2 4.21Å; A298-F303 CarbonylContact O-C 3.59Å; A298-F303 VanDerWaalsContact O-C 3.31Å; L299-F303 CarbonylContact C-O 3.59Å; L299-F303 PolarHBondContact N-O 2.94Å; G300-F303 PolarHBondContact N-O 3.16Å; F303-I305 HydrophobicContact CB-CG1 4.18Å
304	K	96.6	Very high	95.8	Very high	23 Å²	23	62.6 Å²	62.6	10%	0.1	32%	0.317	C	S	.	.	B	Isolated β-bridge	trans	-128.8	69.6	170.7	-64.9	172.7	-178.6	169.9	0	108	L27 D29 S32 H306 T307 Q308	L27-K304 VanDerWaalsContact O-CD 3.23Å; L27-K304 WeakPolarHBondContact O-CD 3.35Å; L27-K304 WeakPolarHBondContact O-CE 3.49Å; L27-K304 PolarHBondContact O-NZ 3.35Å; D29-K304 VanDerWaalsContact OD1-CD 3.31Å; D29-K304 WeakPolarHBondContact OD1-CD 3.35Å; D29-K304 VanDerWaalsContact OD1-CE 3.28Å; D29-K304 WeakPolarHBondContact OD1-CE 3.13Å; D29-K304 IonicContact OD1-NZ 3.18Å; D29-K304 PolarHBondContact OD1-NZ 2.86Å; S32-K304 PolarHBondContact OG-NZ 3.08Å; K304-H306 PolarHBondContact O-N 3.26Å; K304-T307 HydrophobicContact CB-CG2 4.3Å; K304-T307 WeakPolarHBondContact CB-OG1 3.31Å; K304-T307 PolarHBondContact O-N 2.81Å; K304-T307 VanDerWaalsContact O-N 3.08Å; K304-T307 PolarHBondContact O-OG1 3.03Å; K304-T307 VanDerWaalsContact O-OG1 3.04Å; K304-Q308 PolarHBondContact O-NE2 3.01Å; K304-Q308 VanDerWaalsContact O-NE2 3.09Å
305	I	97.2	Very high	95.8	Very high	20 Å²	20	62.7 Å²	62.7	10%	0.103	32%	0.315	C	S	.	.	G	3₁₀ helix	trans	-58.8	-37.4	-174.5	-71.6	-178.4	0	0	0	110.7	V274 A277 M278 V281 A298 F303 T307 Q308 L311	V274-I305 HydrophobicContact CB-CD1 4.35Å; V274-I305 HydrophobicContact CG1-CD1 3.96Å; V274-I305 HydrophobicContact CG2-CD1 4.44Å; A277-I305 HydrophobicContact CB-CB 4.25Å; A277-I305 HydrophobicContact CB-CD1 3.88Å; A277-I305 HydrophobicContact CB-CG2 4.46Å; M278-I305 HydrophobicContact SD-CG2 4.43Å; V281-I305 HydrophobicContact CG2-CG2 3.92Å; A298-I305 HydrophobicContact CB-CD1 3.79Å; A298-I305 HydrophobicContact CB-CG1 4.26Å; A298-I305 PolarHBondContact O-N 3.4Å; F303-I305 HydrophobicContact CB-CG1 4.18Å; I305-T307 PolarHBondContact O-N 3.36Å; I305-T307 VanDerWaalsContact O-N 3.09Å; I305-Q308 WeakPolarHBondContact O-CG 3.38Å; I305-Q308 PolarHBondContact O-N 3.19Å; I305-L311 HydrophobicContact CG2-CD1 3.76Å; I305-L311 WeakPolarHBondContact O-CD1 3.45Å
306	H	97.2	Very high	95.9	Very high	11 Å²	11	62.8 Å²	62.8	5%	0.051	30%	0.302	C	S	.	.	G	3₁₀ helix	trans	-62.5	-17	178.8	67.7	-65.6	0	0	0	114.5	V26 L299 K304 F315 V317	V26-H306 PolarHBondContact O-NE2 3.31Å; L299-H306 HydrophobicContact CD2-CB 4.35Å; L299-H306 PolarHBondContact O-CE1 2.84Å; K304-H306 PolarHBondContact O-N 3.26Å; H306-F315 HydrophobicContact CB-CD1 4.19Å; H306-F315 HydrophobicContact CB-CD2 3.92Å; H306-F315 HydrophobicContact CB-CE1 3.87Å; H306-F315 HydrophobicContact CB-CE2 3.59Å; H306-F315 HydrophobicContact CB-CG 4.22Å; H306-F315 HydrophobicContact CB-CZ 3.57Å; H306-V317 HydrophobicContact CB-CG2 3.77Å; H306-V317 WeakPolarHBondContact CD2-CG2 3.49Å
307	T	95.2	Very high	96.1	Very high	29 Å²	29	59.7 Å²	59.7	18%	0.178	29%	0.285	C	S	.	.	G	3₁₀ helix	trans	-104.8	-0.5	-179.6	71	0	0	0	0	113.9	K304 I305 K309	K304-T307 HydrophobicContact CB-CG2 4.3Å; K304-T307 WeakPolarHBondContact CB-OG1 3.31Å; K304-T307 PolarHBondContact O-N 2.81Å; K304-T307 VanDerWaalsContact O-N 3.08Å; K304-T307 PolarHBondContact O-OG1 3.03Å; K304-T307 VanDerWaalsContact O-OG1 3.04Å; I305-T307 PolarHBondContact O-N 3.36Å; I305-T307 VanDerWaalsContact O-N 3.09Å; T307-K309 PolarHBondContact O-N 2.86Å
308	Q	95.4	Very high	96.1	Very high	83 Å²	83	60.3 Å²	60.3	39%	0.388	29%	0.288	S	S	.	.			trans	-67.7	128.4	-176	-62.8	-55.3	-48.8	0	0	111.5	K304 I305 D310 L311 R314	K304-Q308 PolarHBondContact O-NE2 3.01Å; K304-Q308 VanDerWaalsContact O-NE2 3.09Å; I305-Q308 WeakPolarHBondContact O-CG 3.38Å; I305-Q308 PolarHBondContact O-N 3.19Å; Q308-D310 VanDerWaalsContact C-N 3.33Å; Q308-D310 PolarHBondContact O-N 3.03Å; Q308-L311 HydrophobicContact CB-CD1 3.88Å; Q308-L311 HydrophobicContact CB-CG 3.91Å; Q308-L311 HydrophobicContact CG-CD1 4.4Å; Q308-R314 PolarHBondContact O-NH1 3.19Å
309	K	93	Very high	96.1	Very high	123 Å²	123	65.9 Å²	65.9	54%	0.535	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.7	-32.5	-172.6	-70.1	179.6	179.4	170.3	0	112.6	E30 T307 L311 R314	E30-K309 IonicContact OE1-NZ 3.36Å; E30-K309 PolarHBondContact OE1-NZ 3.4Å; E30-K309 IonicContact OE2-NZ 2.69Å; E30-K309 PolarHBondContact OE2-NZ 3.27Å; T307-K309 PolarHBondContact O-N 2.86Å; K309-L311 VanDerWaalsContact C-N 3.32Å; K309-L311 PolarHBondContact O-N 3.24Å; K309-R314 PolarHBondContact O-NH2 2.82Å
310	D	94.8	Very high	95.9	Very high	160 Å²	160	66.4 Å²	66.4	86%	0.856	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.7	-4	-174.8	-54.8	-37.2	0	0	0	114.3	Q308	Q308-D310 VanDerWaalsContact C-N 3.33Å; Q308-D310 PolarHBondContact O-N 3.03Å
311	L	95.1	Very high	96	Very high	47 Å²	47	65.3 Å²	65.3	25%	0.246	30%	0.303	C	S	.	.	S	Bend	trans	-86.1	144.4	175.3	-61.4	-177.6	0	0	0	111.4	M278 V281 I305 Q308 K309 H313	M278-L311 HydrophobicContact CE-CD2 4.09Å; M278-L311 HydrophobicContact SD-CD1 4.35Å; M278-L311 HydrophobicContact SD-CD2 4.4Å; V281-L311 HydrophobicContact CG2-CD1 4.16Å; I305-L311 HydrophobicContact CG2-CD1 3.76Å; I305-L311 WeakPolarHBondContact O-CD1 3.45Å; Q308-L311 HydrophobicContact CB-CD1 3.88Å; Q308-L311 HydrophobicContact CB-CG 3.91Å; Q308-L311 HydrophobicContact CG-CD1 4.4Å; K309-L311 VanDerWaalsContact C-N 3.32Å; K309-L311 PolarHBondContact O-N 3.24Å; L311-H313 VanDerWaalsContact C-N 3.32Å; L311-H313 PolarHBondContact O-N 2.84Å
312	N	92.3	Very high	96	Very high	116 Å²	116	62.3 Å²	62.3	62%	0.62	28%	0.284	S	S	*	.	S	Bend	trans	-83	-0.1	-173.4	65.8	-5.4	0	0	0	115
313	H	95.7	Very high	96	Very high	37 Å²	37	58.9 Å²	58.9	17%	0.171	27%	0.274	C	S	.	.			trans	-141.6	140.2	176.7	-175.5	68.2	0	0	0	110.3	V281 R284 I285 L311	V281-H313 HydrophobicContact CG1-CB 4.08Å; R284-H313 VanDerWaalsContact C-NE2 3.34Å; R284-H313 WeakPolarHBondContact CA-NE2 3.27Å; R284-H313 VanDerWaalsContact CD-CG 3.5Å; R284-H313 WeakPolarHBondContact CD-ND1 3.24Å; I285-H313 PolarHBondContact O-NE2 2.86Å; L311-H313 VanDerWaalsContact C-N 3.32Å; L311-H313 PolarHBondContact O-N 2.84Å
314	R	94.3	Very high	96	Very high	131 Å²	131	59.4 Å²	59.4	49%	0.494	27%	0.273	S	S	.	.			trans	-122.7	142.2	177.5	-60.3	-169.7	-167.3	-64	-14.9	109.6	Q308 K309	Q308-R314 PolarHBondContact O-NH1 3.19Å; K309-R314 PolarHBondContact O-NH2 2.82Å
315	F	97.4	Very high	96	Very high	12 Å²	12	60.1 Å²	60.1	5%	0.053	28%	0.276	C	S	.	.			trans	-142.5	156.4	177.5	61.8	-91.3	0	0	0	110.5	L280 V281 I285 G286 V288 L299 H306 V317	L280-F315 HydrophobicContact CB-CE1 4.48Å; L280-F315 HydrophobicContact CB-CZ 4.26Å; V281-F315 HydrophobicContact CG2-CE1 3.75Å; I285-F315 HydrophobicContact CG2-CB 3.91Å; I285-F315 HydrophobicContact CG2-CD1 3.85Å; I285-F315 HydrophobicContact CG2-CD2 3.79Å; I285-F315 HydrophobicContact CG2-CE1 4.25Å; I285-F315 HydrophobicContact CG2-CE2 4.19Å; I285-F315 HydrophobicContact CG2-CG 3.6Å; I285-F315 HydrophobicContact CG2-CZ 4.4Å; I285-F315 WeakPolarHBondContact O-CB 3.45Å; G286-F315 WeakPolarHBondContact O-CA 3.31Å; G286-F315 VanDerWaalsContact O-CB 3.3Å; G286-F315 WeakPolarHBondContact O-CB 3.37Å; V288-F315 HydrophobicContact CB-CD2 4.49Å; V288-F315 HydrophobicContact CB-CE2 4.32Å; V288-F315 HydrophobicContact CG2-CD2 3.74Å; V288-F315 HydrophobicContact CG2-CE2 3.54Å; L299-F315 HydrophobicContact CD1-CE2 4.26Å; L299-F315 HydrophobicContact CD2-CE2 3.98Å; L299-F315 HydrophobicContact CD2-CZ 3.79Å; H306-F315 HydrophobicContact CB-CD1 4.19Å; H306-F315 HydrophobicContact CB-CD2 3.92Å; H306-F315 HydrophobicContact CB-CE1 3.87Å; H306-F315 HydrophobicContact CB-CE2 3.59Å; H306-F315 HydrophobicContact CB-CG 4.22Å; H306-F315 HydrophobicContact CB-CZ 3.57Å; F315-V317 HydrophobicContact CD2-CG2 3.79Å; F315-V317 HydrophobicContact CE2-CG2 3.53Å
316	Q	97.3	Very high	96	Very high	82 Å²	82	59.2 Å²	59.2	38%	0.383	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	143.3	-179.1	-58.9	178.1	-19.7	0	0	110.4	G286 R287 V288 Y318	G286-Q316 PolarHBondContact O-N 2.75Å; R287-Q316 CarbonylContact C-O 3.6Å; R287-Q316 VanDerWaalsContact CA-O 3.24Å; R287-Q316 WeakPolarHBondContact CA-O 3.44Å; R287-Q316 HydrophobicContact CG-CB 4.14Å; V288-Q316 PolarHBondContact N-O 3.32Å; Q316-Y318 HydrophobicContact CB-CE2 3.65Å; Q316-Y318 PolarHBondContact OE1-OH 3.37Å
317	V	98.4	Very high	95.9	Very high	4 Å²	4	62.5 Å²	62.5	2%	0.024	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	134.3	177.2	180	0	0	0	0	109.3	P25 V26 V288 Y290 L299 H306 F315	P25-V317 CarbonylContact C-O 3.42Å; P25-V317 WeakPolarHBondContact CA-O 3.33Å; V26-V317 HydrophobicContact CB-CB 4.16Å; V26-V317 HydrophobicContact CB-CG1 4.06Å; V26-V317 HydrophobicContact CG2-CB 4.31Å; V26-V317 HydrophobicContact CG2-CG1 3.7Å; V26-V317 PolarHBondContact N-O 3.21Å; V288-V317 HydrophobicContact CB-CG2 4.31Å; V288-V317 CarbonylContact O-C 3.53Å; V288-V317 WeakPolarHBondContact O-CA 3.26Å; Y290-V317 HydrophobicContact CD1-CG1 3.91Å; Y290-V317 HydrophobicContact CE1-CG1 3.64Å; L299-V317 HydrophobicContact CB-CG1 3.97Å; L299-V317 HydrophobicContact CB-CG2 4.32Å; L299-V317 HydrophobicContact CD1-CG1 4.28Å; L299-V317 HydrophobicContact CD1-CG2 4.09Å; L299-V317 HydrophobicContact CD2-CG2 4.32Å; H306-V317 HydrophobicContact CB-CG2 3.77Å; H306-V317 WeakPolarHBondContact CD2-CG2 3.49Å; F315-V317 HydrophobicContact CD2-CG2 3.79Å; F315-V317 HydrophobicContact CE2-CG2 3.53Å
318	Y	98.1	Very high	95.9	Very high	14 Å²	14	65.6 Å²	65.6	6%	0.055	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	142.2	175.4	-57.2	-88.7	0	0	0	110.3	F24 P25 L159 F160 V288 F289 Y290 Q316	F24-Y318 CarbonylContact O-C 3.52Å; F24-Y318 VanDerWaalsContact O-CA 3.22Å; F24-Y318 WeakPolarHBondContact O-CA 3.47Å; P25-Y318 HydrophobicContact CB-CD1 4.23Å; P25-Y318 HydrophobicContact CB-CE1 4.12Å; L159-Y318 HydrophobicContact CD2-CD1 4.43Å; L159-Y318 HydrophobicContact CD2-CE1 3.37Å; L159-Y318 WeakPolarHBondContact CD2-OH 3.35Å; F160-Y318 AromaticContact CE2-CD1 3.9Å; F160-Y318 HydrophobicContact CE2-CD1 3.9Å; F160-Y318 AromaticContact CE2-CE1 3.98Å; F160-Y318 HydrophobicContact CE2-CE1 3.98Å; F160-Y318 HydrophobicContact CE2-CG 4.26Å; F160-Y318 HydrophobicContact CZ-CD1 4.24Å; F160-Y318 HydrophobicContact CZ-CD2 4.33Å; F160-Y318 HydrophobicContact CZ-CE1 4.04Å; F160-Y318 HydrophobicContact CZ-CE2 4.13Å; F160-Y318 HydrophobicContact CZ-CG 4.39Å; F160-Y318 AromaticContact CZ-CZ 3.98Å; V288-Y318 PolarHBondContact O-N 2.94Å; F289-Y318 WeakPolarHBondContact CA-O 3.19Å; F289-Y318 AromaticContact CD1-CD2 3.87Å; F289-Y318 HydrophobicContact CD1-CD2 3.87Å; F289-Y318 HydrophobicContact CD1-CG 4Å; F289-Y318 AromaticContact CE1-CD2 3.32Å; F289-Y318 HydrophobicContact CE1-CD2 3.32Å; F289-Y318 HydrophobicContact CE1-CE2 4.06Å; F289-Y318 AromaticContact CE1-CG 3.69Å; F289-Y318 HydrophobicContact CE1-CG 3.69Å; F289-Y318 AromaticContact CZ-CD2 3.78Å; F289-Y318 HydrophobicContact CZ-CD2 3.78Å; F289-Y318 HydrophobicContact CZ-CE2 4.17Å; Y290-Y318 PolarHBondContact N-O 2.92Å; Q316-Y318 HydrophobicContact CB-CE2 3.65Å; Q316-Y318 PolarHBondContact OE1-OH 3.37Å
319	R	97.4	Very high	95.7	Very high	117 Å²	117	62.5 Å²	62.5	44%	0.442	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	154.9	179.5	70.8	179	180	-130.3	-1.9	111.6	A23 F24 V26 Y290	A23-R319 WeakPolarHBondContact CA-O 3.26Å; F24-R319 HydrophobicContact CB-CG 4.18Å; F24-R319 PolarHBondContact N-O 3.48Å; F24-R319 PolarHBondContact O-N 2.83Å; V26-R319 HydrophobicContact CG2-CB 4.19Å; V26-R319 HydrophobicContact CG2-CG 4.32Å; Y290-R319 HydrophobicContact CD1-CB 4.42Å; Y290-R319 HydrophobicContact CD2-CB 4.18Å; Y290-R319 HydrophobicContact CE1-CB 3.82Å; Y290-R319 HydrophobicContact CE2-CB 3.5Å; Y290-R319 CarbonylContact O-C 2.99Å; Y290-R319 WeakPolarHBondContact O-CA 3.46Å; Y290-R319 WeakPolarHBondContact OH-CB 3.49Å
320	G	95.7	Very high	94.8	Very high	10 Å²	10	59.4 Å²	59.4	10%	0.103	28%	0.283	C	S	.	.			trans	99.9	5.2	167.4	0	0	0	0	0	115.4	Y290 L322 K323	Y290-G320 PolarHBondContact O-N 3.31Å; G320-L322 PolarHBondContact O-N 3.03Å; G320-K323 PolarHBondContact O-N 3.27Å
321	V	96.9	Very high	93.2	Very high	0 Å²	0	56 Å²	56	0%	0	27%	0.271	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.3	117.7	176.6	-174.9	0	0	0	0	109.3	W21 A23 M168 M172 F289 G291 K323	W21-V321 HydrophobicContact CD2-CG1 4.21Å; W21-V321 HydrophobicContact CE3-CB 4.17Å; W21-V321 HydrophobicContact CE3-CG1 4.08Å; W21-V321 HydrophobicContact CE3-CG2 4.1Å; W21-V321 HydrophobicContact CH2-CG1 3.87Å; W21-V321 HydrophobicContact CH2-CG2 4.37Å; W21-V321 HydrophobicContact CZ2-CG1 3.94Å; W21-V321 HydrophobicContact CZ3-CB 4.21Å; W21-V321 HydrophobicContact CZ3-CG1 3.93Å; W21-V321 HydrophobicContact CZ3-CG2 3.79Å; A23-V321 HydrophobicContact CB-CG2 3.97Å; M168-V321 HydrophobicContact CE-CG2 3.98Å; M172-V321 HydrophobicContact CB-CG1 3.67Å; M172-V321 HydrophobicContact CE-CB 3.92Å; M172-V321 HydrophobicContact CE-CG1 4.16Å; M172-V321 HydrophobicContact CG-CG1 3.97Å; F289-V321 HydrophobicContact CB-CG2 4.12Å; F289-V321 HydrophobicContact CD1-CG2 4.15Å; G291-V321 WeakPolarHBondContact CA-O 3.39Å; V321-K323 PolarHBondContact O-N 3.2Å
322	L	97.2	Very high	91	Very high	5 Å²	5	64.1 Å²	64.1	3%	0.026	30%	0.299	C	S	.	.	T	Hydrogen-bonded Turn	trans	48.8	41.4	-172.8	-62.5	-177.6	0	0	0	113.4	W21 M172 A173 G320 R324 Q325 C326	W21-L322 VanDerWaalsContact CD1-CD2 3.46Å; W21-L322 HydrophobicContact CG-CD2 4.39Å; M172-L322 HydrophobicContact CB-CD1 3.85Å; M172-L322 HydrophobicContact CB-CG 4.26Å; M172-L322 HydrophobicContact CG-CB 3.83Å; M172-L322 HydrophobicContact CG-CD1 3.8Å; M172-L322 HydrophobicContact CG-CG 4.04Å; A173-L322 HydrophobicContact CB-CD1 4.27Å; G320-L322 PolarHBondContact O-N 3.03Å; L322-R324 VanDerWaalsContact C-N 3.35Å; L322-R324 PolarHBondContact O-N 3.02Å; L322-Q325 VanDerWaalsContact C-OE1 3.28Å; L322-Q325 VanDerWaalsContact CA-OE1 3.32Å; L322-Q325 HydrophobicContact CB-CB 4.39Å; L322-Q325 PolarHBondContact O-N 2.93Å; L322-Q325 PolarHBondContact O-OE1 2.94Å; L322-C326 WeakPolarHBondContact O-CB 3.27Å; L322-C326 PolarHBondContact O-N 3.17Å; L322-C326 PolarHBondContact O-SG 3.06Å
323	K	96.1	Very high	88.5	Confident	102 Å²	102	64.7 Å²	64.7	44%	0.443	33%	0.332	S	S	.	.	H	α-helix	trans	-50.1	-51.8	-174.3	-177.7	176.6	169.2	-176.8	0	112.7	G320 V321 C326 E327	G320-K323 PolarHBondContact O-N 3.27Å; V321-K323 PolarHBondContact O-N 3.2Å; K323-C326 WeakPolarHBondContact O-CB 3.35Å; K323-C326 PolarHBondContact O-N 3.19Å; K323-E327 VanDerWaalsContact CE-CD 3.42Å; K323-E327 WeakPolarHBondContact CE-OE1 3.44Å; K323-E327 HydrophobicContact CG-CG 4.32Å; K323-E327 IonicContact NZ-OE1 3.68Å; K323-E327 WeakPolarHBondContact O-CG 3.44Å; K323-E327 PolarHBondContact O-N 3.5Å
324	R	95.1	Very high	88.1	Confident	122 Å²	122	66.1 Å²	66.1	46%	0.46	34%	0.34	S	S	.	.	H	α-helix	trans	-61	-49.8	-177	-70.2	177.4	174.6	178.8	-11.5	111.8	D18 L322 C326 E327 D328	D18-R324 PolarHBondContact O-NH1 3.42Å; D18-R324 IonicContact OD1-CZ 3.48Å; D18-R324 IonicContact OD1-NH1 2.77Å; D18-R324 PolarHBondContact OD1-NH1 3.09Å; L322-R324 VanDerWaalsContact C-N 3.35Å; L322-R324 PolarHBondContact O-N 3.02Å; R324-C326 PolarHBondContact O-N 3.25Å; R324-E327 PolarHBondContact O-N 2.78Å; R324-E327 VanDerWaalsContact O-N 3.11Å; R324-D328 PolarHBondContact O-N 3.29Å
325	Q	96.1	Very high	87.8	Confident	37 Å²	37	62.6 Å²	62.6	17%	0.173	33%	0.331	C	S	.	.	H	α-helix	trans	-60.8	-32.2	178.6	-60.8	85.2	-12.2	0	0	111.6	D19 L322 L329	D19-Q325 PolarHBondContact OD1-NE2 2.95Å; L322-Q325 VanDerWaalsContact C-OE1 3.28Å; L322-Q325 VanDerWaalsContact CA-OE1 3.32Å; L322-Q325 HydrophobicContact CB-CB 4.39Å; L322-Q325 PolarHBondContact O-N 2.93Å; L322-Q325 PolarHBondContact O-OE1 2.94Å; Q325-L329 WeakPolarHBondContact O-CG 3.5Å
326	C	96.9	Very high	87.3	Confident	1 Å²	1	65.4 Å²	65.4	1%	0.007	35%	0.347	C	S	.	.	H	α-helix	trans	-76.9	-36.7	175.8	-65	0	0	0	0	113.2	T269 A292 L322 K323 R324 D328 L329	T269-C326 VanDerWaalsContact O-CB 3.25Å; T269-C326 WeakPolarHBondContact O-CB 3.43Å; A292-C326 HydrophobicContact CB-CB 3.93Å; L322-C326 WeakPolarHBondContact O-CB 3.27Å; L322-C326 PolarHBondContact O-N 3.17Å; L322-C326 PolarHBondContact O-SG 3.06Å; K323-C326 WeakPolarHBondContact O-CB 3.35Å; K323-C326 PolarHBondContact O-N 3.19Å; R324-C326 PolarHBondContact O-N 3.25Å; C326-D328 VanDerWaalsContact C-N 3.34Å; C326-L329 WeakPolarHBondContact O-CB 3.26Å; C326-L329 PolarHBondContact O-N 3Å
327	E	95.1	Very high	86.7	Confident	80 Å²	80	64.5 Å²	64.5	37%	0.374	35%	0.345	S	S	.	.	H	α-helix	trans	-65.7	-38.1	174.7	-73.9	174.1	153.5	0	0	111.2	A292 K323 R324 L329 S330 S331	A292-E327 HydrophobicContact CB-CG 3.83Å; K323-E327 VanDerWaalsContact CE-CD 3.42Å; K323-E327 WeakPolarHBondContact CE-OE1 3.44Å; K323-E327 HydrophobicContact CG-CG 4.32Å; K323-E327 IonicContact NZ-OE1 3.68Å; K323-E327 WeakPolarHBondContact O-CG 3.44Å; K323-E327 PolarHBondContact O-N 3.5Å; R324-E327 PolarHBondContact O-N 2.78Å; R324-E327 VanDerWaalsContact O-N 3.11Å; E327-L329 PolarHBondContact O-N 3.27Å; E327-S330 WeakPolarHBondContact O-CB 3.33Å; E327-S330 PolarHBondContact O-N 2.73Å; E327-S331 PolarHBondContact O-N 2.97Å
328	D	94.9	Very high	86	Confident	94 Å²	94	68.3 Å²	68.3	50%	0.503	37%	0.365	S	S	.	.	H	α-helix	trans	-62.9	-22.5	175.6	-72.4	-18	0	0	0	113.9	R324 C326 S330 S331	R324-D328 PolarHBondContact O-N 3.29Å; C326-D328 VanDerWaalsContact C-N 3.34Å; D328-S330 VanDerWaalsContact C-N 3.34Å; D328-S331 PolarHBondContact O-OG 2.93Å
329	L	92.8	Very high	85.1	Confident	18 Å²	18	71.9 Å²	71.9	9%	0.094	39%	0.385	C	S	.	.	H	α-helix	trans	-73.2	-30.8	172	-64	169.1	0	0	0	111.6	V176 A179 R180 A189 T269 Q325 C326 E327	V176-L329 HydrophobicContact CG1-CD1 4.38Å; V176-L329 HydrophobicContact CG2-CD1 4.48Å; A179-L329 HydrophobicContact CB-CD1 3.61Å; A179-L329 HydrophobicContact CB-CD2 4.32Å; R180-L329 HydrophobicContact CG-CD2 3.73Å; A189-L329 HydrophobicContact CB-CB 4.07Å; A189-L329 HydrophobicContact CB-CD2 4.47Å; T269-L329 HydrophobicContact CG2-CD1 3.93Å; Q325-L329 WeakPolarHBondContact O-CG 3.5Å; C326-L329 WeakPolarHBondContact O-CB 3.26Å; C326-L329 PolarHBondContact O-N 3Å; E327-L329 PolarHBondContact O-N 3.27Å
330	S	73.1	Confident	84.3	Confident	58 Å²	58	68.6 Å²	68.6	41%	0.406	38%	0.381	S	S	.	.	H	α-helix	trans	-86.7	-22.4	-174.6	-55.8	0	0	0	0	112.8	E327 D328 R332	E327-S330 WeakPolarHBondContact O-CB 3.33Å; E327-S330 PolarHBondContact O-N 2.73Å; D328-S330 VanDerWaalsContact C-N 3.34Å; S330-R332 VanDerWaalsContact C-N 3.29Å; S330-R332 PolarHBondContact O-N 3.31Å
331	S	61.3	Low	83.4	Confident	88 Å²	88	73.2 Å²	73.2	62%	0.615	40%	0.403	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.9	-4.2	179.3	60.8	0	0	0	0	114.4	E327 D328	E327-S331 PolarHBondContact O-N 2.97Å; D328-S331 PolarHBondContact O-OG 2.93Å
332	R	50.2	Low	82.3	Confident	219 Å²	219	79.3 Å²	79.3	83%	0.826	44%	0.436	S	S	*	.	T	Hydrogen-bonded Turn	trans	-111.7	9.7	-178.1	-61.9	-175.9	-178.1	-155.6	0	113.8	S330	S330-R332 VanDerWaalsContact C-N 3.29Å; S330-R332 PolarHBondContact O-N 3.31Å
333	G	38.6	Very low	80.9	Confident	127 Å²	127	86 Å²	86	100%	1.309	47%	0.474	S	S	*	.			trans	-99.6	0	177.4	0	0	0	0	0	112.6

Retrieved 333 of 333 residues in 79.5 ms (Link to these results)

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