A0A077Z8P7_TRITR Loading...

Phosphatidylethanolamine binding protein

AlphaFold DB , UniProt , Accession A0A077Z8P7, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 225 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	49.3	Very low	48.5	Very low	240 Å²	240	178.5 Å²	178.5	100%	1.182	86%	0.862	S	S	*	*				0	106.6	0	-115.2	161.6	63.7	0	0	108
2	K	46	Very low	48.4	Very low	215 Å²	215	178.4 Å²	178.4	94%	0.935	86%	0.856	S	S	*	*			trans	-83.4	120.1	-174.4	-76.1	-178.5	176.9	178.8	0	110.1
3	I	46.5	Very low	48.2	Very low	158 Å²	158	178.2 Å²	178.2	81%	0.81	85%	0.849	S	S	*	*			trans	-75.3	119	177	-64.2	164.3	0	0	0	108.3	L5	I3-L5 PolarHBondContact O-N 3.09Å
4	Q	49.1	Very low	48	Very low	185 Å²	185	177.1 Å²	177.1	86%	0.864	85%	0.849	S	S	*	*			trans	-78.2	108.7	171.1	-86.5	-113.1	-16.9	0	0	109.4	R6	Q4-R6 PolarHBondContact O-N 2.77Å
5	L	46	Very low	47.9	Very low	160 Å²	160	176.3 Å²	176.3	84%	0.838	85%	0.85	S	S	*	*			trans	-69.6	109.2	167.6	-86.3	143.9	0	0	0	109.3	I3 R7	I3-L5 PolarHBondContact O-N 3.09Å; L5-R7 PolarHBondContact O-N 3.17Å
6	R	50.2	Low	48.3	Very low	246 Å²	246	171.6 Å²	171.6	93%	0.928	84%	0.841	S	S	*	*	P	Polyproline II helix	trans	-64.2	117.7	166.7	-84	-174.6	173.7	-168.1	-1.4	109	Q4 S8	Q4-R6 PolarHBondContact O-N 2.77Å; R6-S8 PolarHBondContact O-N 3.37Å
7	R	48.7	Very low	49.3	Very low	243 Å²	243	170.6 Å²	170.6	92%	0.917	83%	0.831	S	S	*	*	P	Polyproline II helix	trans	-72.6	116	167.2	-74.7	178.2	157.6	-178.8	-6.9	109	L5	L5-R7 PolarHBondContact O-N 3.17Å
8	S	50.7	Low	50.5	Low	114 Å²	114	169.7 Å²	169.7	80%	0.797	83%	0.829	S	S	*	*	P	Polyproline II helix	trans	-73.2	130.5	165.7	38.9	0	0	0	0	109.8	R6	R6-S8 PolarHBondContact O-N 3.37Å
9	L	46.4	Very low	51.9	Low	159 Å²	159	163.8 Å²	163.8	83%	0.832	80%	0.798	S	S	*	*	P	Polyproline II helix	trans	-68.8	144.9	169.7	-94.7	89.3	0	0	0	110.2	I11	L9-I11 PolarHBondContact O-N 3.18Å
10	P	46.5	Very low	53.6	Low	99 Å²	99	158.3 Å²	158.3	64%	0.643	78%	0.776	S	S	*	*	P	Polyproline II helix	trans	-74.4	126.8	174	30.7	-30.1	0	0	0	109.8	F12	P10-F12 HydrophobicContact CG-CD2 4.44Å; P10-F12 HydrophobicContact CG-CE2 4.27Å; P10-F12 PolarHBondContact O-N 3.36Å
11	I	53.5	Low	55.1	Low	144 Å²	144	154.7 Å²	154.7	74%	0.738	77%	0.767	S	S	*	*			trans	-72.9	104.7	169.5	-62	169.3	0	0	0	107.1	L9 F13	L9-I11 PolarHBondContact O-N 3.18Å; I11-F13 HydrophobicContact CG2-CD2 3.63Å; I11-F13 HydrophobicContact CG2-CE2 3.75Å; I11-F13 PolarHBondContact O-N 2.9Å
12	F	47.8	Very low	56.9	Low	178 Å²	178	146.1 Å²	146.1	78%	0.781	73%	0.734	S	S	*	*			trans	-77.8	99.9	168.8	-93.1	-91.9	0	0	0	109.2	P10 L14	P10-F12 HydrophobicContact CG-CD2 4.44Å; P10-F12 HydrophobicContact CG-CE2 4.27Å; P10-F12 PolarHBondContact O-N 3.36Å; F12-L14 PolarHBondContact O-N 3.12Å
13	F	46	Very low	59	Low	176 Å²	176	139.6 Å²	139.6	77%	0.772	71%	0.71	S	S	*	*			trans	-75.4	99.7	163.4	-95.7	-92.2	0	0	0	108.5	I11 L15	I11-F13 HydrophobicContact CG2-CD2 3.63Å; I11-F13 HydrophobicContact CG2-CE2 3.75Å; I11-F13 PolarHBondContact O-N 2.9Å; F13-L15 PolarHBondContact O-N 3.22Å
14	L	45.3	Very low	61.3	Low	163 Å²	163	132.3 Å²	132.3	85%	0.853	67%	0.672	S	S	*	*			trans	-70.6	104.2	162.7	-96.8	113.1	0	0	0	108.4	F12 S16	F12-L14 PolarHBondContact O-N 3.12Å; L14-S16 PolarHBondContact O-N 3.06Å; L14-S16 VanDerWaalsContact O-N 3.1Å
15	L	45.7	Very low	63.5	Low	165 Å²	165	126.8 Å²	126.8	86%	0.864	65%	0.648	S	S	*	*			trans	-69.5	99.2	167.1	-72.8	164.4	0	0	0	108.2	F13 K17	F13-L15 PolarHBondContact O-N 3.22Å; L15-K17 PolarHBondContact O-N 3.17Å
16	S	55.2	Low	65.9	Low	101 Å²	101	121.1 Å²	121.1	71%	0.706	63%	0.625	S	S	*	*	P	Polyproline II helix	trans	-64.6	121.4	167	56.9	0	0	0	0	108.6	L14 I18	L14-S16 PolarHBondContact O-N 3.06Å; L14-S16 VanDerWaalsContact O-N 3.1Å; S16-I18 PolarHBondContact O-N 2.64Å; S16-I18 VanDerWaalsContact O-N 3.16Å
17	K	64.5	Low	68.1	Low	154 Å²	154	110.1 Å²	110.1	67%	0.67	59%	0.586	S	S	*	*	P	Polyproline II helix	trans	-57.7	118.1	173.2	-167.9	175.2	-178.1	-176.2	0	109.2	L15 Y19	L15-K17 PolarHBondContact O-N 3.17Å; K17-Y19 HydrophobicContact CB-CE2 4.44Å; K17-Y19 HydrophobicContact CD-CE1 4.36Å
18	I	70.6	Confident	70.4	Confident	155 Å²	155	98.5 Å²	98.5	80%	0.795	54%	0.543	S	S	*	.	P	Polyproline II helix	trans	-81.6	116.2	173.8	-58.3	173.9	0	0	0	106.7	S16	S16-I18 PolarHBondContact O-N 2.64Å; S16-I18 VanDerWaalsContact O-N 3.16Å
19	Y	78.8	Confident	72.6	Confident	58 Å²	58	97.5 Å²	97.5	23%	0.227	53%	0.527	C	S	.	.	P	Polyproline II helix	trans	-82.3	130.1	174.4	-70.3	-87.8	0	0	0	109.5	K17 D23 L45 T57 L58	K17-Y19 HydrophobicContact CB-CE2 4.44Å; K17-Y19 HydrophobicContact CD-CE1 4.36Å; Y19-D23 HydrophobicContact CD1-CB 4.07Å; Y19-L45 HydrophobicContact CD2-CD2 3.47Å; Y19-L45 VanDerWaalsContact CD2-CD2 3.47Å; Y19-L45 HydrophobicContact CE2-CD2 3.74Å; Y19-L45 HydrophobicContact CG-CD2 4.34Å; Y19-T57 WeakPolarHBondContact OH-CG2 3.33Å; Y19-L58 HydrophobicContact CD1-CD1 3.58Å; Y19-L58 HydrophobicContact CE1-CD1 3.61Å; Y19-L58 HydrophobicContact CG-CD1 4.15Å
20	S	84.2	Confident	75	Confident	52 Å²	52	96 Å²	96	36%	0.364	52%	0.52	S	S	.	.	P	Polyproline II helix	trans	-74.4	163.7	170.6	71.2	0	0	0	0	110.6	A22 D23 L24	S20-A22 PolarHBondContact O-N 3.34Å; S20-D23 WeakPolarHBondContact CB-OD2 3.29Å; S20-D23 PolarHBondContact N-OD2 3.13Å; S20-D23 PolarHBondContact O-N 3.01Å; S20-D23 PolarHBondContact OG-N 3.18Å; S20-D23 PolarHBondContact OG-OD2 3.42Å; S20-L24 PolarHBondContact O-N 2.91Å
21	S	85.3	Confident	77.4	Confident	84 Å²	84	95 Å²	95	59%	0.587	50%	0.504	S	S	*	.	H	α-helix	trans	-57.8	-39.8	171.9	59.1	0	0	0	0	111.4	D23 L24 D25	S21-D23 VanDerWaalsContact C-N 3.31Å; S21-D23 PolarHBondContact O-N 3.18Å; S21-L24 WeakPolarHBondContact O-CB 3.48Å; S21-L24 PolarHBondContact O-N 3.26Å; S21-L24 VanDerWaalsContact O-N 3.12Å; S21-D25 PolarHBondContact O-N 2.79Å
22	A	88	Confident	79.4	Confident	60 Å²	60	88.8 Å²	88.8	50%	0.496	48%	0.476	S	S	.	.	H	α-helix	trans	-62.8	-35.3	177.9	0	0	0	0	0	112.8	S20 A26	S20-A22 PolarHBondContact O-N 3.34Å; A22-A26 VanDerWaalsContact O-CB 3.29Å; A22-A26 WeakPolarHBondContact O-CB 3.16Å; A22-A26 PolarHBondContact O-N 2.85Å
23	D	90.5	Very high	81.8	Confident	78 Å²	78	80.3 Å²	80.3	42%	0.417	44%	0.438	S	S	.	.	H	α-helix	trans	-67	-38.5	174.8	-60.9	-52.7	0	0	0	111.4	Y19 S20 S21 A27	Y19-D23 HydrophobicContact CD1-CB 4.07Å; S20-D23 WeakPolarHBondContact CB-OD2 3.29Å; S20-D23 PolarHBondContact N-OD2 3.13Å; S20-D23 PolarHBondContact O-N 3.01Å; S20-D23 PolarHBondContact OG-N 3.18Å; S20-D23 PolarHBondContact OG-OD2 3.42Å; S21-D23 VanDerWaalsContact C-N 3.31Å; S21-D23 PolarHBondContact O-N 3.18Å; D23-A27 VanDerWaalsContact O-CB 3.3Å; D23-A27 WeakPolarHBondContact O-CB 3.43Å; D23-A27 PolarHBondContact O-N 3.4Å
24	L	94.6	Very high	84.3	Confident	4 Å²	4	73.3 Å²	73.3	2%	0.021	41%	0.408	C	S	.	.	H	α-helix	trans	-66.6	-49.1	175.7	-69.5	172.9	0	0	0	111.3	S20 S21 A26 A27 F28 L45 L58	S20-L24 PolarHBondContact O-N 2.91Å; S21-L24 WeakPolarHBondContact O-CB 3.48Å; S21-L24 PolarHBondContact O-N 3.26Å; S21-L24 VanDerWaalsContact O-N 3.12Å; L24-A26 VanDerWaalsContact C-N 3.34Å; L24-A26 PolarHBondContact O-N 2.98Å; L24-A27 PolarHBondContact O-N 3.49Å; L24-F28 WeakPolarHBondContact O-CD2 3.43Å; L24-F28 PolarHBondContact O-N 3.16Å; L24-L45 HydrophobicContact CD2-CB 4.1Å; L24-L45 HydrophobicContact CD2-CD1 3.86Å; L24-L58 HydrophobicContact CD2-CD1 3.95Å; L24-L58 HydrophobicContact CD2-CD2 3.83Å; L24-L58 HydrophobicContact CD2-CG 4.48Å
25	D	95	Very high	86.8	Confident	69 Å²	69	70 Å²	70	37%	0.369	40%	0.397	S	S	.	.	H	α-helix	trans	-54.3	-52	176.4	-74.9	-59.5	0	0	0	110.6	S21 A27 F28 I29 A41	S21-D25 PolarHBondContact O-N 2.79Å; D25-A27 PolarHBondContact O-N 3Å; D25-F28 PolarHBondContact O-N 3.4Å; D25-I29 WeakPolarHBondContact O-CB 3.44Å; D25-I29 WeakPolarHBondContact O-CD1 3.26Å; D25-I29 WeakPolarHBondContact O-CG1 3.22Å; D25-I29 PolarHBondContact O-N 3.41Å; D25-A41 HydrophobicContact CB-CB 4.47Å; D25-A41 WeakPolarHBondContact OD1-CB 3.39Å
26	A	95.7	Very high	89.2	Confident	42 Å²	42	63.9 Å²	63.9	35%	0.347	37%	0.365	S	S	.	.	H	α-helix	trans	-59.6	-44.1	179	0	0	0	0	0	112.1	A22 L24 N30	A22-A26 VanDerWaalsContact O-CB 3.29Å; A22-A26 WeakPolarHBondContact O-CB 3.16Å; A22-A26 PolarHBondContact O-N 2.85Å; L24-A26 VanDerWaalsContact C-N 3.34Å; L24-A26 PolarHBondContact O-N 2.98Å; A26-N30 WeakPolarHBondContact O-CB 3.28Å; A26-N30 PolarHBondContact O-N 3.43Å; A26-N30 PolarHBondContact O-ND2 3.34Å; A26-N30 VanDerWaalsContact O-ND2 3.16Å
27	A	96.1	Very high	91.3	Very high	14 Å²	14	59 Å²	59	12%	0.116	33%	0.331	C	S	.	.	H	α-helix	trans	-63.7	-48.9	179.3	0	0	0	0	0	112.1	D23 L24 D25 I29 N30 Y31 L58 F186	D23-A27 VanDerWaalsContact O-CB 3.3Å; D23-A27 WeakPolarHBondContact O-CB 3.43Å; D23-A27 PolarHBondContact O-N 3.4Å; L24-A27 PolarHBondContact O-N 3.49Å; D25-A27 PolarHBondContact O-N 3Å; A27-I29 VanDerWaalsContact C-N 3.31Å; A27-I29 PolarHBondContact O-N 2.94Å; A27-N30 PolarHBondContact O-N 3.05Å; A27-Y31 WeakPolarHBondContact O-CD2 3.36Å; A27-Y31 PolarHBondContact O-N 2.72Å; A27-Y31 VanDerWaalsContact O-N 3.13Å; A27-L58 HydrophobicContact CB-CB 4.12Å; A27-L58 HydrophobicContact CB-CD1 4.06Å; A27-L58 HydrophobicContact CB-CD2 4.26Å; A27-L58 HydrophobicContact CB-CG 4.38Å; A27-F186 HydrophobicContact CB-CE1 4.39Å; A27-F186 HydrophobicContact CB-CZ 4.3Å
28	F	97.8	Very high	92.9	Very high	0 Å²	0	51.9 Å²	51.9	0%	0	30%	0.3	C	S	.	.	H	α-helix	trans	-65.8	-33.8	-178.6	-86	-103.4	0	0	0	112.5	L24 D25 V33 I34 I38 A41 P42 L58 F186	L24-F28 WeakPolarHBondContact O-CD2 3.43Å; L24-F28 PolarHBondContact O-N 3.16Å; D25-F28 PolarHBondContact O-N 3.4Å; F28-V33 HydrophobicContact CB-CB 4.49Å; F28-V33 HydrophobicContact CD1-CB 3.78Å; F28-V33 HydrophobicContact CD1-CG1 3.48Å; F28-V33 VanDerWaalsContact CD1-CG1 3.48Å; F28-V33 HydrophobicContact CD1-CG2 4.48Å; F28-V33 HydrophobicContact CE1-CB 4.46Å; F28-V33 HydrophobicContact CE1-CG1 3.8Å; F28-V33 HydrophobicContact CG-CB 4.46Å; F28-V33 PolarHBondContact O-N 2.98Å; F28-I34 HydrophobicContact CB-CD1 3.72Å; F28-I34 HydrophobicContact CB-CG1 4.12Å; F28-I34 PolarHBondContact O-N 3.14Å; F28-I38 HydrophobicContact CD1-CD1 3.6Å; F28-I38 HydrophobicContact CD1-CG1 4.46Å; F28-I38 HydrophobicContact CE1-CD1 3.71Å; F28-A41 HydrophobicContact CB-CB 4.41Å; F28-P42 HydrophobicContact CE1-CG 3.85Å; F28-P42 HydrophobicContact CE2-CG 4.05Å; F28-P42 HydrophobicContact CZ-CG 3.56Å; F28-L58 HydrophobicContact CD2-CD2 4.45Å; F28-L58 HydrophobicContact CE2-CD2 3.93Å; F28-F186 HydrophobicContact CD1-CD1 4.48Å; F28-F186 HydrophobicContact CD1-CE1 4.47Å; F28-F186 HydrophobicContact CD2-CD1 4.3Å; F28-F186 AromaticContact CD2-CE1 3.82Å; F28-F186 HydrophobicContact CD2-CE1 3.82Å; F28-F186 HydrophobicContact CE1-CD1 4.14Å; F28-F186 AromaticContact CE2-CD1 3.94Å; F28-F186 HydrophobicContact CE2-CD1 3.94Å; F28-F186 AromaticContact CE2-CE1 3.87Å; F28-F186 HydrophobicContact CE2-CE1 3.87Å; F28-F186 HydrophobicContact CG-CE1 4.14Å; F28-F186 AromaticContact CZ-CD1 3.86Å; F28-F186 HydrophobicContact CZ-CD1 3.86Å; F28-F186 HydrophobicContact CZ-CE1 4.23Å
29	I	97.4	Very high	94.1	Very high	92 Å²	92	49.7 Å²	49.7	47%	0.472	29%	0.29	S	S	.	.	H	α-helix	trans	-72.1	-51.6	174.2	-67.3	166.9	0	0	0	111.1	D25 A27 Y31 G32 I34	D25-I29 WeakPolarHBondContact O-CB 3.44Å; D25-I29 WeakPolarHBondContact O-CD1 3.26Å; D25-I29 WeakPolarHBondContact O-CG1 3.22Å; D25-I29 PolarHBondContact O-N 3.41Å; A27-I29 VanDerWaalsContact C-N 3.31Å; A27-I29 PolarHBondContact O-N 2.94Å; I29-Y31 VanDerWaalsContact C-N 3.29Å; I29-Y31 PolarHBondContact O-N 3.23Å; I29-G32 WeakPolarHBondContact O-CA 3.38Å; I29-G32 PolarHBondContact O-N 2.84Å; I29-I34 HydrophobicContact CG1-CB 4.28Å; I29-I34 HydrophobicContact CG1-CD1 4.22Å; I29-I34 HydrophobicContact CG1-CG2 4.44Å
30	N	96.7	Very high	94.9	Very high	129 Å²	129	53.1 Å²	53.1	69%	0.69	31%	0.306	S	S	*	.	H	α-helix	trans	-64	-33.4	-173	-71.7	-19.6	0	0	0	112.9	A26 A27 G32	A26-N30 WeakPolarHBondContact O-CB 3.28Å; A26-N30 PolarHBondContact O-N 3.43Å; A26-N30 PolarHBondContact O-ND2 3.34Å; A26-N30 VanDerWaalsContact O-ND2 3.16Å; A27-N30 PolarHBondContact O-N 3.05Å; N30-G32 VanDerWaalsContact C-N 3.27Å
31	Y	96.2	Very high	95.5	Very high	78 Å²	78	51.1 Å²	51.1	31%	0.306	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.1	-1.8	174.9	-77.3	-92.5	0	0	0	113.3	A27 I29 V33 R96 R139 F186	A27-Y31 WeakPolarHBondContact O-CD2 3.36Å; A27-Y31 PolarHBondContact O-N 2.72Å; A27-Y31 VanDerWaalsContact O-N 3.13Å; I29-Y31 VanDerWaalsContact C-N 3.29Å; I29-Y31 PolarHBondContact O-N 3.23Å; Y31-V33 VanDerWaalsContact C-N 3.27Å; Y31-V33 PolarHBondContact O-N 3.16Å; Y31-R96 PolarHBondContact O-NH2 3.46Å; Y31-R96 VanDerWaalsContact O-NH2 3.13Å; Y31-R139 VanDerWaalsContact O-CD 3.24Å; Y31-R139 WeakPolarHBondContact O-CD 3.48Å; Y31-R139 PolarHBondContact O-NH1 3.39Å; Y31-F186 AromaticContact CD1-CE2 3.79Å; Y31-F186 HydrophobicContact CD1-CE2 3.79Å; Y31-F186 AromaticContact CD2-CE2 3.65Å; Y31-F186 HydrophobicContact CD2-CE2 3.65Å; Y31-F186 AromaticContact CD2-CZ 3.56Å; Y31-F186 HydrophobicContact CD2-CZ 3.56Å; Y31-F186 HydrophobicContact CE1-CE2 4.38Å; Y31-F186 HydrophobicContact CE2-CE2 4.24Å; Y31-F186 HydrophobicContact CE2-CZ 4.28Å; Y31-F186 AromaticContact CG-CE2 3.37Å; Y31-F186 HydrophobicContact CG-CE2 3.37Å; Y31-F186 AromaticContact CG-CZ 3.68Å; Y31-F186 HydrophobicContact CG-CZ 3.68Å
32	G	96.7	Very high	96.1	Very high	13 Å²	13	47.4 Å²	47.4	13%	0.134	27%	0.267	C	S	.	.	T	Hydrogen-bonded Turn	trans	72.7	14.3	179.5	0	0	0	0	0	114	I29 N30 I34 D36 R139	I29-G32 WeakPolarHBondContact O-CA 3.38Å; I29-G32 PolarHBondContact O-N 2.84Å; N30-G32 VanDerWaalsContact C-N 3.27Å; G32-I34 CarbonylContact C-O 3.53Å; G32-I34 WeakPolarHBondContact CA-O 3.39Å; G32-I34 PolarHBondContact O-N 3.33Å; G32-D36 WeakPolarHBondContact O-CB 3.16Å; G32-D36 PolarHBondContact O-N 2.9Å; G32-D36 VanDerWaalsContact O-OD2 3.13Å; G32-R139 PolarHBondContact O-NH1 3.33Å
33	V	97.9	Very high	96.4	Very high	0 Å²	0	51.1 Å²	51.1	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-63	-36.7	173.6	-178.8	0	0	0	0	109.2	F28 Y31 D36 V37 I38 V141 F186	F28-V33 HydrophobicContact CB-CB 4.49Å; F28-V33 HydrophobicContact CD1-CB 3.78Å; F28-V33 HydrophobicContact CD1-CG1 3.48Å; F28-V33 VanDerWaalsContact CD1-CG1 3.48Å; F28-V33 HydrophobicContact CD1-CG2 4.48Å; F28-V33 HydrophobicContact CE1-CB 4.46Å; F28-V33 HydrophobicContact CE1-CG1 3.8Å; F28-V33 HydrophobicContact CG-CB 4.46Å; F28-V33 PolarHBondContact O-N 2.98Å; Y31-V33 VanDerWaalsContact C-N 3.27Å; Y31-V33 PolarHBondContact O-N 3.16Å; V33-D36 PolarHBondContact O-N 3.04Å; V33-D36 VanDerWaalsContact O-N 3.13Å; V33-V37 HydrophobicContact CG1-CB 4.06Å; V33-V37 HydrophobicContact CG1-CG2 4.3Å; V33-V37 PolarHBondContact O-N 3.47Å; V33-I38 HydrophobicContact CG1-CD1 4.36Å; V33-I38 HydrophobicContact CG1-CG1 4.26Å; V33-I38 PolarHBondContact O-N 3.29Å; V33-V141 HydrophobicContact CG1-CB 4.5Å; V33-V141 HydrophobicContact CG1-CG1 3.67Å; V33-V141 HydrophobicContact CG1-CG2 4Å; V33-V141 HydrophobicContact CG2-CG2 4Å; V33-F186 HydrophobicContact CG2-CD1 4.09Å; V33-F186 HydrophobicContact CG2-CD2 4.29Å; V33-F186 HydrophobicContact CG2-CE1 4.25Å; V33-F186 HydrophobicContact CG2-CE2 4.45Å; V33-F186 HydrophobicContact CG2-CG 4.12Å; V33-F186 HydrophobicContact CG2-CZ 4.43Å
34	I	97.9	Very high	96.7	Very high	28 Å²	28	48.8 Å²	48.8	14%	0.144	25%	0.254	C	S	.	.	H	α-helix	trans	-96.1	122.2	157.5	-60.5	163.7	0	0	0	106.9	F28 I29 G32 I38 A41	F28-I34 HydrophobicContact CB-CD1 3.72Å; F28-I34 HydrophobicContact CB-CG1 4.12Å; F28-I34 PolarHBondContact O-N 3.14Å; I29-I34 HydrophobicContact CG1-CB 4.28Å; I29-I34 HydrophobicContact CG1-CD1 4.22Å; I29-I34 HydrophobicContact CG1-CG2 4.44Å; G32-I34 CarbonylContact C-O 3.53Å; G32-I34 WeakPolarHBondContact CA-O 3.39Å; G32-I34 PolarHBondContact O-N 3.33Å; I34-I38 HydrophobicContact CG1-CD1 4.41Å; I34-I38 HydrophobicContact CG1-CG1 3.81Å; I34-A41 HydrophobicContact CD1-CB 4.05Å
35	P	97.1	Very high	96.8	Very high	93 Å²	93	50.9 Å²	50.9	60%	0.604	27%	0.265	S	S	*	.	H	α-helix	cis	-106.9	30.1	7.9	42.9	-35.6	0	0	0	112.6	R170	P35-R170 PolarHBondContact O-NH2 2.95Å
36	D	97.3	Very high	96.9	Very high	37 Å²	37	47.6 Å²	47.6	20%	0.198	25%	0.248	C	C	.	.	H	α-helix	trans	-78.6	-40.7	-178.9	-72.5	-28.1	0	0	0	112.6	G32 V33 P91 R102 R139 R170	G32-D36 WeakPolarHBondContact O-CB 3.16Å; G32-D36 PolarHBondContact O-N 2.9Å; G32-D36 VanDerWaalsContact O-OD2 3.13Å; V33-D36 PolarHBondContact O-N 3.04Å; V33-D36 VanDerWaalsContact O-N 3.13Å; D36-P91 HydrophobicContact CB-CB 4.48Å; D36-R102 IonicContact OD1-CZ 3.33Å; D36-R102 IonicContact OD1-NH1 3.9Å; D36-R102 PolarHBondContact OD1-NH1 3.44Å; D36-R102 IonicContact OD1-NH2 3.79Å; D36-R102 IonicContact OD2-CZ 3.39Å; D36-R102 IonicContact OD2-NH1 3.7Å; D36-R102 IonicContact OD2-NH2 3.77Å; D36-R102 PolarHBondContact OD2-NH2 3.42Å; D36-R139 IonicContact OD2-CZ 2.77Å; D36-R139 IonicContact OD2-NH1 3.93Å; D36-R139 PolarHBondContact OD2-NH1 3.39Å; D36-R139 IonicContact OD2-NH2 3.53Å; D36-R139 PolarHBondContact OD2-NH2 2.88Å; D36-R170 PolarHBondContact O-NH1 3.1Å; D36-R170 PolarHBondContact O-NH2 3.47Å
37	V	98.1	Very high	97	Very high	0 Å²	0	51 Å²	51	0%	0	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	-113.4	-42.8	-170.4	-175.6	0	0	0	0	112.8	V33 P91 V141 T169 R170	V33-V37 HydrophobicContact CG1-CB 4.06Å; V33-V37 HydrophobicContact CG1-CG2 4.3Å; V33-V37 PolarHBondContact O-N 3.47Å; V37-P91 HydrophobicContact CG2-CB 3.63Å; V37-P91 HydrophobicContact CG2-CG 3.69Å; V37-V141 HydrophobicContact CG1-CG1 4.36Å; V37-V141 HydrophobicContact CG2-CG2 4.27Å; V37-T169 HydrophobicContact CG1-CG2 4.22Å; V37-R170 WeakPolarHBondContact O-CG 3.42Å
38	I	98	Very high	97	Very high	4 Å²	4	50.4 Å²	50.4	2%	0.021	25%	0.25	C	C	.	.			trans	-136.6	163.4	-177	60.7	-177.5	0	0	0	110.5	F28 V33 I34 K40 P42 T143 Y145 T169 R170 P181	F28-I38 HydrophobicContact CD1-CD1 3.6Å; F28-I38 HydrophobicContact CD1-CG1 4.46Å; F28-I38 HydrophobicContact CE1-CD1 3.71Å; V33-I38 HydrophobicContact CG1-CD1 4.36Å; V33-I38 HydrophobicContact CG1-CG1 4.26Å; V33-I38 PolarHBondContact O-N 3.29Å; I34-I38 HydrophobicContact CG1-CD1 4.41Å; I34-I38 HydrophobicContact CG1-CG1 3.81Å; I38-K40 VanDerWaalsContact CD1-O 3.26Å; I38-K40 WeakPolarHBondContact CD1-O 3.39Å; I38-P42 HydrophobicContact CD1-CG 4.45Å; I38-T143 HydrophobicContact CG2-CG2 4.04Å; I38-Y145 WeakPolarHBondContact CG2-OH 3.33Å; I38-T169 HydrophobicContact CG2-CG2 4.24Å; I38-R170 PolarHBondContact O-NH2 2.88Å; I38-P181 HydrophobicContact CD1-CG 3.99Å
39	D	96.9	Very high	97	Very high	109 Å²	109	50.8 Å²	50.8	58%	0.583	25%	0.252	S	S	*	.	S	Bend	trans	-102.8	-15.5	-176.2	-53.6	-40.8	0	0	0	113.5	R170	D39-R170 IonicContact OD1-CZ 3.4Å; D39-R170 IonicContact OD1-NE 3.89Å; D39-R170 PolarHBondContact OD1-NE 2.89Å; D39-R170 IonicContact OD1-NH2 3.38Å; D39-R170 PolarHBondContact OD1-NH2 3.48Å; D39-R170 IonicContact OD2-NE 3.28Å
40	K	96.4	Very high	96.9	Very high	129 Å²	129	47.3 Å²	47.3	56%	0.561	23%	0.234	S	C	*	.	S	Bend	trans	-140.8	145.9	178.4	-66.7	-175.1	179.7	179.8	0	109.8	I38	I38-K40 VanDerWaalsContact CD1-O 3.26Å; I38-K40 WeakPolarHBondContact CD1-O 3.39Å
41	A	96	Very high	96.7	Very high	10 Å²	10	45.8 Å²	45.8	8%	0.083	23%	0.225	C	C	.	.			trans	-64.9	151.2	176.2	0	0	0	0	0	110.6	D25 F28 I34	D25-A41 HydrophobicContact CB-CB 4.47Å; D25-A41 WeakPolarHBondContact OD1-CB 3.39Å; F28-A41 HydrophobicContact CB-CB 4.41Å; I34-A41 HydrophobicContact CD1-CB 4.05Å
42	P	97.5	Very high	96.2	Very high	6 Å²	6	50.7 Å²	50.7	4%	0.039	25%	0.251	C	S	.	.			trans	-61.3	151.7	172.8	-17.4	29.3	0	0	0	112	F28 I38 Q44 P181 G184	F28-P42 HydrophobicContact CE1-CG 3.85Å; F28-P42 HydrophobicContact CE2-CG 4.05Å; F28-P42 HydrophobicContact CZ-CG 3.56Å; I38-P42 HydrophobicContact CD1-CG 4.45Å; P42-Q44 PolarHBondContact O-N 3.1Å; P42-P181 WeakPolarHBondContact CA-O 3.49Å; P42-P181 HydrophobicContact CB-CB 4.13Å; P42-P181 HydrophobicContact CB-CG 4.28Å; P42-P181 HydrophobicContact CG-CB 4.17Å; P42-P181 HydrophobicContact CG-CG 4.1Å; P42-G184 VanDerWaalsContact CB-N 3.33Å
43	R	95.7	Very high	95.8	Very high	139 Å²	139	55.2 Å²	55.2	53%	0.525	28%	0.281	S	S	.	.	S	Bend	trans	-66.3	-25.1	178.9	-63.9	-174.5	176.4	145	-3.6	113.6	P181 E182	R43-P181 PolarHBondContact N-O 3.16Å; R43-E182 WeakPolarHBondContact CB-O 3.35Å; R43-E182 WeakPolarHBondContact CD-OE2 3.37Å; R43-E182 IonicContact CZ-OE2 2.7Å; R43-E182 PolarHBondContact N-O 3.3Å; R43-E182 IonicContact NE-OE2 2.89Å; R43-E182 IonicContact NH1-OE2 3.03Å; R43-E182 PolarHBondContact NH1-OE2 2.81Å
44	Q	95.9	Very high	95.5	Very high	28 Å²	28	56 Å²	56	13%	0.131	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.4	159.1	-178.8	58.7	-174.4	-59.9	0	0	112	P42 L46 N77 E182 A183 G184	P42-Q44 PolarHBondContact O-N 3.1Å; Q44-L46 PolarHBondContact O-N 2.59Å; Q44-N77 PolarHBondContact NE2-O 3.49Å; Q44-N77 VanDerWaalsContact OE1-CB 3.23Å; Q44-N77 PolarHBondContact OE1-ND2 2.84Å; Q44-E182 WeakPolarHBondContact CG-O 3.39Å; Q44-E182 PolarHBondContact N-O 3.17Å; Q44-E182 VanDerWaalsContact N-O 3.14Å; Q44-E182 PolarHBondContact NE2-OE1 3.2Å; Q44-A183 HydrophobicContact CG-CB 3.7Å; Q44-A183 VanDerWaalsContact O-CA 3.24Å; Q44-A183 WeakPolarHBondContact O-CA 3.33Å; Q44-G184 PolarHBondContact O-N 3.46Å; Q44-G184 VanDerWaalsContact O-N 3.16Å
45	L	96.6	Very high	95.3	Very high	48 Å²	48	57.6 Å²	57.6	25%	0.251	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.8	129.5	172.8	-174.8	69.7	0	0	0	109.8	Y19 L24 L58 N185	Y19-L45 HydrophobicContact CD2-CD2 3.47Å; Y19-L45 VanDerWaalsContact CD2-CD2 3.47Å; Y19-L45 HydrophobicContact CE2-CD2 3.74Å; Y19-L45 HydrophobicContact CG-CD2 4.34Å; L24-L45 HydrophobicContact CD2-CB 4.1Å; L24-L45 HydrophobicContact CD2-CD1 3.86Å; L45-L58 HydrophobicContact CD1-CD1 4.26Å; L45-L58 HydrophobicContact CD1-CD2 3.58Å; L45-L58 HydrophobicContact CD1-CG 3.8Å; L45-N185 HydrophobicContact CD1-CB 4.09Å
46	L	97.4	Very high	95.2	Very high	0 Å²	0	53.4 Å²	53.4	0%	0	27%	0.267	C	S	.	.	P	Polyproline II helix	trans	-79.1	119.9	164.9	177.6	66.3	0	0	0	109	Q44 V48 L74 W76 L86 F142 V144 A183 G184 N185	Q44-L46 PolarHBondContact O-N 2.59Å; L46-V48 HydrophobicContact CB-CG2 4.42Å; L46-V48 HydrophobicContact CD2-CG2 3.76Å; L46-V48 HydrophobicContact CG-CG2 3.74Å; L46-V48 PolarHBondContact O-N 3.13Å; L46-L74 HydrophobicContact CD2-CD2 4.03Å; L46-L74 HydrophobicContact CG-CD2 4.37Å; L46-W76 HydrophobicContact CD1-CB 4.32Å; L46-W76 HydrophobicContact CD1-CD2 4.28Å; L46-W76 HydrophobicContact CD1-CE3 3.44Å; L46-W76 VanDerWaalsContact CD1-CE3 3.44Å; L46-W76 HydrophobicContact CD1-CZ3 4.09Å; L46-L86 HydrophobicContact CD2-CD1 4.24Å; L46-F142 HydrophobicContact CD2-CB 3.63Å; L46-F142 HydrophobicContact CD2-CG 4.22Å; L46-V144 HydrophobicContact CD1-CG2 4.05Å; L46-V144 HydrophobicContact CD2-CG2 3.99Å; L46-A183 HydrophobicContact CB-CB 4.07Å; L46-G184 PolarHBondContact N-O 3.42Å; L46-N185 HydrophobicContact CB-CB 4.13Å; L46-N185 WeakPolarHBondContact O-CB 3.18Å; L46-N185 PolarHBondContact O-ND2 2.61Å
47	K	96.8	Very high	95	Very high	113 Å²	113	54.2 Å²	54.2	49%	0.491	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	121.6	170.6	178.9	176.6	179.9	-177.1	0	108.7	V49 V73 L74 T75	K47-V49 HydrophobicContact CD-CG2 4.41Å; K47-V49 HydrophobicContact CG-CG2 4.02Å; K47-V73 HydrophobicContact CD-CG1 4.49Å; K47-L74 WeakPolarHBondContact O-CA 3.37Å; K47-T75 HydrophobicContact CB-CG2 3.69Å; K47-T75 HydrophobicContact CD-CG2 3.79Å; K47-T75 HydrophobicContact CG-CG2 4.11Å; K47-T75 PolarHBondContact N-O 3.29Å; K47-T75 PolarHBondContact O-N 2.87Å
48	V	97.5	Very high	94.8	Very high	2 Å²	2	55 Å²	55	1%	0.012	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	116.3	-179.3	-178.7	0	0	0	0	108.5	L46 F50 C56 P71 L74 F142 N185	L46-V48 HydrophobicContact CB-CG2 4.42Å; L46-V48 HydrophobicContact CD2-CG2 3.76Å; L46-V48 HydrophobicContact CG-CG2 3.74Å; L46-V48 PolarHBondContact O-N 3.13Å; V48-F50 HydrophobicContact CG1-CD2 4.34Å; V48-F50 HydrophobicContact CG1-CE2 3.82Å; V48-F50 HydrophobicContact CG1-CZ 4.25Å; V48-C56 HydrophobicContact CB-CB 3.83Å; V48-C56 HydrophobicContact CG1-CB 3.93Å; V48-C56 PolarHBondContact O-N 2.85Å; V48-P71 HydrophobicContact CG1-CB 3.86Å; V48-P71 HydrophobicContact CG1-CG 3.6Å; V48-L74 HydrophobicContact CB-CD2 4.29Å; V48-L74 HydrophobicContact CG1-CD2 4.14Å; V48-L74 HydrophobicContact CG2-CD2 3.8Å; V48-F142 HydrophobicContact CG1-CD2 4.27Å; V48-F142 HydrophobicContact CG1-CE2 3.71Å; V48-F142 HydrophobicContact CG1-CZ 4.11Å; V48-F142 HydrophobicContact CG2-CD2 3.95Å; V48-F142 HydrophobicContact CG2-CE2 4.24Å; V48-F142 HydrophobicContact CG2-CG 4.34Å; V48-N185 HydrophobicContact CG2-CB 4.12Å
49	V	97.2	Very high	94.6	Very high	9 Å²	9	54.9 Å²	54.9	6%	0.055	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	121.6	180	-164.6	0	0	0	0	109.7	K47 D51 N55 P71 H72 V73	K47-V49 HydrophobicContact CD-CG2 4.41Å; K47-V49 HydrophobicContact CG-CG2 4.02Å; V49-D51 WeakPolarHBondContact CG1-O 3.3Å; V49-N55 WeakPolarHBondContact CG1-OD1 3.48Å; V49-N55 WeakPolarHBondContact CG2-OD1 3Å; V49-P71 CarbonylContact O-C 3.46Å; V49-P71 VanDerWaalsContact O-CA 3.3Å; V49-P71 WeakPolarHBondContact O-CA 3.44Å; V49-P71 VanDerWaalsContact O-CB 3.28Å; V49-P71 WeakPolarHBondContact O-CB 3.49Å; V49-H72 VanDerWaalsContact CG1-CE1 3.47Å; V49-H72 WeakPolarHBondContact CG1-CE1 3.24Å; V49-H72 PolarHBondContact O-N 3.13Å; V49-H72 PolarHBondContact O-ND1 3.44Å; V49-V73 HydrophobicContact CB-CB 3.98Å; V49-V73 HydrophobicContact CG2-CB 3.97Å; V49-V73 HydrophobicContact CG2-CG1 4.18Å; V49-V73 PolarHBondContact N-O 2.78Å; V49-V73 PolarHBondContact O-N 3.16Å
50	F	95.4	Very high	94.4	Very high	19 Å²	19	52 Å²	52	8%	0.083	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	-40.7	177.8	-70.3	-86.1	0	0	0	111.8	V48 V54 C56 L62 D66 V67 H69 P71 H72 Y126 F142 F187	V48-F50 HydrophobicContact CG1-CD2 4.34Å; V48-F50 HydrophobicContact CG1-CE2 3.82Å; V48-F50 HydrophobicContact CG1-CZ 4.25Å; F50-V54 HydrophobicContact CB-CB 4.16Å; F50-V54 HydrophobicContact CB-CG1 3.78Å; F50-V54 HydrophobicContact CD2-CG1 4.29Å; F50-V54 HydrophobicContact CG-CG1 4.41Å; F50-V54 PolarHBondContact N-O 3.37Å; F50-C56 HydrophobicContact CE2-CB 4.2Å; F50-L62 HydrophobicContact CD2-CD1 4.04Å; F50-L62 HydrophobicContact CE2-CD1 3.92Å; F50-D66 WeakPolarHBondContact CB-O 3.36Å; F50-V67 HydrophobicContact CD1-CB 4.13Å; F50-V67 HydrophobicContact CD1-CG1 4.03Å; F50-V67 HydrophobicContact CD2-CG1 3.85Å; F50-V67 HydrophobicContact CE1-CB 3.73Å; F50-V67 HydrophobicContact CE1-CG1 3.78Å; F50-V67 HydrophobicContact CE2-CB 4.43Å; F50-V67 HydrophobicContact CE2-CG1 3.6Å; F50-V67 HydrophobicContact CG-CG1 4.06Å; F50-V67 HydrophobicContact CZ-CB 3.89Å; F50-V67 HydrophobicContact CZ-CG1 3.55Å; F50-H69 WeakPolarHBondContact CD1-O 3.33Å; F50-P71 HydrophobicContact CD1-CB 4.24Å; F50-P71 HydrophobicContact CD1-CG 3.95Å; F50-P71 HydrophobicContact CE1-CB 4.32Å; F50-P71 HydrophobicContact CE1-CG 3.54Å; F50-P71 HydrophobicContact CE2-CG 4.35Å; F50-P71 HydrophobicContact CZ-CG 3.78Å; F50-H72 PolarHBondContact O-ND1 3.14Å; F50-Y126 WeakPolarHBondContact CE1-OH 3.39Å; F50-F142 HydrophobicContact CZ-CE2 4.27Å; F50-F142 HydrophobicContact CZ-CZ 4.21Å; F50-F187 HydrophobicContact CE2-CD1 4.45Å; F50-F187 HydrophobicContact CE2-CE1 4.13Å; F50-F187 HydrophobicContact CE2-CZ 4.46Å; F50-F187 AromaticContact CZ-CE1 3.88Å; F50-F187 HydrophobicContact CZ-CE1 3.88Å; F50-F187 HydrophobicContact CZ-CZ 4.03Å
51	D	91.3	Very high	94.2	Very high	96 Å²	96	50.3 Å²	50.3	51%	0.513	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150	170.9	176.6	-155.5	-21.4	0	0	0	109.7	V49 S53 V54	V49-D51 WeakPolarHBondContact CG1-O 3.3Å; D51-S53 PolarHBondContact O-N 2.89Å; D51-V54 HydrophobicContact CB-CB 4.05Å; D51-V54 HydrophobicContact CB-CG2 4.03Å; D51-V54 PolarHBondContact N-O 3.35Å; D51-V54 PolarHBondContact O-N 3.18Å
52	E	86.6	Confident	93.9	Very high	182 Å²	182	50.4 Å²	50.4	85%	0.85	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	-48.7	-36.6	-175.6	-67.6	-171.7	168.3	0	0	113.3
53	S	88.4	Confident	93.4	Very high	107 Å²	107	52 Å²	52	75%	0.748	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.2	-6.3	179.6	62.8	0	0	0	0	114.2	D51	D51-S53 PolarHBondContact O-N 2.89Å
54	V	91.2	Very high	93	Very high	16 Å²	16	46 Å²	46	10%	0.097	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	98.1	-171.7	-177.3	0	0	0	0	110	F50 D51 L62 D66	F50-V54 HydrophobicContact CB-CB 4.16Å; F50-V54 HydrophobicContact CB-CG1 3.78Å; F50-V54 HydrophobicContact CD2-CG1 4.29Å; F50-V54 HydrophobicContact CG-CG1 4.41Å; F50-V54 PolarHBondContact N-O 3.37Å; D51-V54 HydrophobicContact CB-CB 4.05Å; D51-V54 HydrophobicContact CB-CG2 4.03Å; D51-V54 PolarHBondContact N-O 3.35Å; D51-V54 PolarHBondContact O-N 3.18Å; V54-L62 HydrophobicContact CG1-CD1 4.31Å; V54-L62 HydrophobicContact CG1-CD2 4Å; V54-D66 HydrophobicContact CG1-CB 3.73Å; V54-D66 HydrophobicContact CG2-CB 4.46Å
55	N	94	Very high	92.6	Very high	62 Å²	62	48.4 Å²	48.4	33%	0.332	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	137.8	179.5	-64.2	-91.8	0	0	0	110.3	V49 N60	V49-N55 WeakPolarHBondContact CG1-OD1 3.48Å; V49-N55 WeakPolarHBondContact CG2-OD1 3Å; N55-N60 PolarHBondContact O-ND2 3.28Å
56	C	95.1	Very high	92.3	Very high	6 Å²	6	49 Å²	49	4%	0.041	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84	127.2	168.8	155.6	0	0	0	0	109.3	V48 F50 L62 N185 F186 F187	V48-C56 HydrophobicContact CB-CB 3.83Å; V48-C56 HydrophobicContact CG1-CB 3.93Å; V48-C56 PolarHBondContact O-N 2.85Å; F50-C56 HydrophobicContact CE2-CB 4.2Å; C56-L62 HydrophobicContact CB-CD1 4.37Å; C56-N185 PolarHBondContact O-ND2 3.41Å; C56-N185 PolarHBondContact SG-OD1 3.38Å; C56-N185 VanDerWaalsContact SG-OD1 3.4Å; C56-F186 PolarHBondContact SG-O 3.36Å; C56-F186 VanDerWaalsContact SG-O 3.34Å; C56-F187 HydrophobicContact CB-CB 4.29Å; C56-F187 HydrophobicContact CB-CD1 4.16Å
57	T	92.7	Very high	92	Very high	54 Å²	54	49 Å²	49	33%	0.331	27%	0.269	S	S	.	.			trans	-143	85	-169.2	-50.9	0	0	0	0	109.9	Y19 G59 N60	Y19-T57 WeakPolarHBondContact OH-CG2 3.33Å; T57-G59 PolarHBondContact O-N 3.35Å; T57-G59 VanDerWaalsContact O-N 3.14Å; T57-N60 PolarHBondContact N-OD1 2.85Å; T57-N60 PolarHBondContact O-N 3.18Å; T57-N60 VanDerWaalsContact O-N 3.1Å; T57-N60 PolarHBondContact O-OD1 3.08Å
58	L	94.8	Very high	91.7	Very high	17 Å²	17	46.8 Å²	46.8	9%	0.089	26%	0.258	C	S	.	.	T	Hydrogen-bonded Turn	trans	40.5	55.8	167.7	-62.9	179	0	0	0	114.8	Y19 L24 A27 F28 L45 N185 F186	Y19-L58 HydrophobicContact CD1-CD1 3.58Å; Y19-L58 HydrophobicContact CE1-CD1 3.61Å; Y19-L58 HydrophobicContact CG-CD1 4.15Å; L24-L58 HydrophobicContact CD2-CD1 3.95Å; L24-L58 HydrophobicContact CD2-CD2 3.83Å; L24-L58 HydrophobicContact CD2-CG 4.48Å; A27-L58 HydrophobicContact CB-CB 4.12Å; A27-L58 HydrophobicContact CB-CD1 4.06Å; A27-L58 HydrophobicContact CB-CD2 4.26Å; A27-L58 HydrophobicContact CB-CG 4.38Å; F28-L58 HydrophobicContact CD2-CD2 4.45Å; F28-L58 HydrophobicContact CE2-CD2 3.93Å; L45-L58 HydrophobicContact CD1-CD1 4.26Å; L45-L58 HydrophobicContact CD1-CD2 3.58Å; L45-L58 HydrophobicContact CD1-CG 3.8Å; L58-N185 PolarHBondContact N-OD1 3.4Å; L58-F186 HydrophobicContact CD2-CD1 4.45Å; L58-F186 HydrophobicContact CD2-CE1 4.06Å; L58-F186 PolarHBondContact N-O 3.3Å
59	G	92.9	Very high	91.6	Very high	1 Å²	1	53.3 Å²	53.3	1%	0.01	29%	0.287	C	S	.	.	T	Hydrogen-bonded Turn	trans	96.7	6.8	173.9	0	0	0	0	0	115.4	T57 F186 Q188	T57-G59 PolarHBondContact O-N 3.35Å; T57-G59 VanDerWaalsContact O-N 3.14Å; G59-F186 VanDerWaalsContact N-CE2 3.33Å; G59-F186 PolarHBondContact N-O 3Å; G59-Q188 PolarHBondContact O-NE2 2.85Å
60	N	93.1	Very high	91.5	Very high	49 Å²	49	54.8 Å²	54.8	26%	0.262	30%	0.301	S	S	.	.			trans	-55.9	151.3	169.3	72.7	-44.6	0	0	0	111.5	N55 T57 L62 F187 Q188	N55-N60 PolarHBondContact O-ND2 3.28Å; T57-N60 PolarHBondContact N-OD1 2.85Å; T57-N60 PolarHBondContact O-N 3.18Å; T57-N60 VanDerWaalsContact O-N 3.1Å; T57-N60 PolarHBondContact O-OD1 3.08Å; N60-L62 WeakPolarHBondContact ND2-CD2 3.23Å; N60-F187 WeakPolarHBondContact O-CA 3.23Å; N60-F187 WeakPolarHBondContact O-CB 3.46Å; N60-Q188 PolarHBondContact O-N 2.86Å
61	I	91.6	Very high	91.6	Very high	93 Å²	93	54.4 Å²	54.4	48%	0.477	30%	0.3	S	S	.	.	B	Isolated β-bridge	trans	-87.7	128.4	179.2	-59.7	173.6	0	0	0	108.3	L137 Q188 F190	I61-L137 HydrophobicContact CD1-CD1 4.28Å; I61-L137 HydrophobicContact CD1-CD2 4.19Å; I61-L137 HydrophobicContact CG1-CD2 4.19Å; I61-L137 HydrophobicContact CG2-CD2 4.3Å; I61-Q188 WeakPolarHBondContact CA-O 3.46Å; I61-Q188 HydrophobicContact CG1-CB 4.43Å; I61-F190 HydrophobicContact CG2-CD1 3.8Å; I61-F190 HydrophobicContact CG2-CE1 3.81Å
62	L	89.3	Confident	91.7	Very high	12 Å²	12	55.3 Å²	55.3	6%	0.063	30%	0.301	C	S	.	.			trans	-118.2	160.6	171.5	-59.9	-178.8	0	0	0	109.4	F50 V54 C56 N60 D66 V67 F187 Q188	F50-L62 HydrophobicContact CD2-CD1 4.04Å; F50-L62 HydrophobicContact CE2-CD1 3.92Å; V54-L62 HydrophobicContact CG1-CD1 4.31Å; V54-L62 HydrophobicContact CG1-CD2 4Å; C56-L62 HydrophobicContact CB-CD1 4.37Å; N60-L62 WeakPolarHBondContact ND2-CD2 3.23Å; L62-D66 HydrophobicContact CB-CB 4.36Å; L62-V67 HydrophobicContact CB-CG1 3.95Å; L62-V67 HydrophobicContact CD1-CG1 3.58Å; L62-V67 HydrophobicContact CG-CG1 4.41Å; L62-F187 HydrophobicContact CB-CD2 4.02Å; L62-F187 HydrophobicContact CD1-CB 3.99Å; L62-F187 HydrophobicContact CD1-CD1 4.44Å; L62-F187 HydrophobicContact CD1-CD2 3.84Å; L62-F187 HydrophobicContact CD1-CE2 4.4Å; L62-F187 HydrophobicContact CD1-CG 3.84Å; L62-F187 HydrophobicContact CG-CB 4.21Å; L62-F187 HydrophobicContact CG-CD2 4.14Å; L62-F187 HydrophobicContact CG-CG 4.36Å; L62-Q188 PolarHBondContact N-O 3.5Å
63	T	87.9	Confident	92.1	Very high	40 Å²	40	49 Å²	49	25%	0.245	28%	0.275	C	S	.	.			trans	-91.9	157.6	176.1	71.1	0	0	0	0	111.3	S65 D66 V67	T63-S65 PolarHBondContact O-N 3.42Å; T63-S65 VanDerWaalsContact O-N 3.15Å; T63-D66 WeakPolarHBondContact CB-OD2 3.38Å; T63-D66 WeakPolarHBondContact CG2-OD2 3.31Å; T63-D66 PolarHBondContact N-OD2 3.45Å; T63-D66 WeakPolarHBondContact O-CB 3.35Å; T63-D66 PolarHBondContact O-N 2.9Å; T63-D66 VanDerWaalsContact O-N 3.1Å; T63-D66 PolarHBondContact OG1-N 3.28Å; T63-D66 PolarHBondContact OG1-OD1 2.94Å; T63-D66 PolarHBondContact OG1-OD2 2.96Å; T63-V67 WeakPolarHBondContact O-CG2 3.5Å; T63-V67 PolarHBondContact O-N 3.42Å
64	P	88	Confident	92.5	Very high	13 Å²	13	44.7 Å²	44.7	8%	0.084	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.6	-30.6	172.9	-25.6	34.2	0	0	0	113.5	R68 V189 Y209	P64-R68 PolarHBondContact O-N 3.47Å; P64-R68 VanDerWaalsContact O-N 3.13Å; P64-V189 HydrophobicContact CB-CG1 4.49Å; P64-V189 HydrophobicContact CG-CG1 3.64Å; P64-Y209 HydrophobicContact CB-CE2 4.4Å
65	S	87.7	Confident	92.7	Very high	77 Å²	77	46.2 Å²	46.2	54%	0.538	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.3	-43.2	176.8	-64.3	0	0	0	0	112.2	T63 V67 R68	T63-S65 PolarHBondContact O-N 3.42Å; T63-S65 VanDerWaalsContact O-N 3.15Å; S65-V67 PolarHBondContact O-N 2.85Å; S65-R68 WeakPolarHBondContact O-CB 3.44Å; S65-R68 PolarHBondContact O-N 2.85Å
66	D	89.3	Confident	92.8	Very high	60 Å²	60	43.7 Å²	43.7	32%	0.321	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.2	-33.4	179.3	-66.6	-34.7	0	0	0	112.6	F50 V54 L62 T63	F50-D66 WeakPolarHBondContact CB-O 3.36Å; V54-D66 HydrophobicContact CG1-CB 3.73Å; V54-D66 HydrophobicContact CG2-CB 4.46Å; L62-D66 HydrophobicContact CB-CB 4.36Å; T63-D66 WeakPolarHBondContact CB-OD2 3.38Å; T63-D66 WeakPolarHBondContact CG2-OD2 3.31Å; T63-D66 PolarHBondContact N-OD2 3.45Å; T63-D66 WeakPolarHBondContact O-CB 3.35Å; T63-D66 PolarHBondContact O-N 2.9Å; T63-D66 VanDerWaalsContact O-N 3.1Å; T63-D66 PolarHBondContact OG1-N 3.28Å; T63-D66 PolarHBondContact OG1-OD1 2.94Å; T63-D66 PolarHBondContact OG1-OD2 2.96Å
67	V	92.2	Very high	92.9	Very high	0 Å²	0	49.6 Å²	49.6	0%	0	27%	0.27	C	S	.	.	T	Hydrogen-bonded Turn	trans	-116.4	21.5	-172.3	-55.1	0	0	0	0	112.6	F50 L62 T63 S65 H69 Y126 G128 F187 V189	F50-V67 HydrophobicContact CD1-CB 4.13Å; F50-V67 HydrophobicContact CD1-CG1 4.03Å; F50-V67 HydrophobicContact CD2-CG1 3.85Å; F50-V67 HydrophobicContact CE1-CB 3.73Å; F50-V67 HydrophobicContact CE1-CG1 3.78Å; F50-V67 HydrophobicContact CE2-CB 4.43Å; F50-V67 HydrophobicContact CE2-CG1 3.6Å; F50-V67 HydrophobicContact CG-CG1 4.06Å; F50-V67 HydrophobicContact CZ-CB 3.89Å; F50-V67 HydrophobicContact CZ-CG1 3.55Å; L62-V67 HydrophobicContact CB-CG1 3.95Å; L62-V67 HydrophobicContact CD1-CG1 3.58Å; L62-V67 HydrophobicContact CG-CG1 4.41Å; T63-V67 WeakPolarHBondContact O-CG2 3.5Å; T63-V67 PolarHBondContact O-N 3.42Å; S65-V67 PolarHBondContact O-N 2.85Å; V67-H69 VanDerWaalsContact C-N 3.27Å; V67-H69 PolarHBondContact O-N 3.34Å; V67-Y126 PolarHBondContact O-OH 3.03Å; V67-G128 WeakPolarHBondContact O-CA 3.33Å; V67-F187 HydrophobicContact CB-CE2 4.18Å; V67-F187 HydrophobicContact CB-CZ 4.15Å; V67-F187 HydrophobicContact CG1-CD2 4.38Å; V67-F187 HydrophobicContact CG1-CE2 3.74Å; V67-F187 HydrophobicContact CG1-CZ 3.91Å; V67-F187 HydrophobicContact CG2-CE2 3.98Å; V67-F187 HydrophobicContact CG2-CZ 4.28Å; V67-V189 HydrophobicContact CG2-CG2 4.21Å
68	R	90.3	Very high	93.1	Very high	68 Å²	68	48.4 Å²	48.4	26%	0.257	27%	0.266	S	S	.	.	S	Bend	trans	-57.9	-42.4	175.8	173.2	-177.1	-64.3	-78.9	-17.8	111.8	P64 S65 V213	P64-R68 PolarHBondContact O-N 3.47Å; P64-R68 VanDerWaalsContact O-N 3.13Å; S65-R68 WeakPolarHBondContact O-CB 3.44Å; S65-R68 PolarHBondContact O-N 2.85Å; R68-V213 VanDerWaalsContact NH2-CG2 3.27Å
69	H	94	Very high	93.2	Very high	138 Å²	138	53.5 Å²	53.5	64%	0.639	28%	0.284	S	S	*	.	S	Bend	trans	-106.7	159.6	-178.4	-60	-59.9	0	0	0	110.6	F50 V67 Y126	F50-H69 WeakPolarHBondContact CD1-O 3.33Å; V67-H69 VanDerWaalsContact C-N 3.27Å; V67-H69 PolarHBondContact O-N 3.34Å; H69-Y126 PolarHBondContact O-OH 3.1Å
70	A	96.2	Very high	93.3	Very high	40 Å²	40	60.4 Å²	60.4	33%	0.331	32%	0.318	S	S	.	.			trans	-59.7	148.6	175.9	0	0	0	0	0	110.5	H72 W107 Y126	A70-H72 PolarHBondContact O-N 2.99Å; A70-W107 HydrophobicContact CB-CH2 4.28Å; A70-Y126 HydrophobicContact CB-CD1 4Å; A70-Y126 HydrophobicContact CB-CD2 3.85Å; A70-Y126 HydrophobicContact CB-CE1 4.48Å; A70-Y126 HydrophobicContact CB-CE2 4.34Å; A70-Y126 HydrophobicContact CB-CG 3.67Å
71	P	96.9	Very high	93.4	Very high	12 Å²	12	64.9 Å²	64.9	8%	0.078	34%	0.342	C	S	.	.			trans	-57.1	134.4	175.4	-16.9	25.6	0	0	0	111.5	V48 V49 F50 V73 L74 F142	V48-P71 HydrophobicContact CG1-CB 3.86Å; V48-P71 HydrophobicContact CG1-CG 3.6Å; V49-P71 CarbonylContact O-C 3.46Å; V49-P71 VanDerWaalsContact O-CA 3.3Å; V49-P71 WeakPolarHBondContact O-CA 3.44Å; V49-P71 VanDerWaalsContact O-CB 3.28Å; V49-P71 WeakPolarHBondContact O-CB 3.49Å; F50-P71 HydrophobicContact CD1-CB 4.24Å; F50-P71 HydrophobicContact CD1-CG 3.95Å; F50-P71 HydrophobicContact CE1-CB 4.32Å; F50-P71 HydrophobicContact CE1-CG 3.54Å; F50-P71 HydrophobicContact CE2-CG 4.35Å; F50-P71 HydrophobicContact CZ-CG 3.78Å; P71-V73 VanDerWaalsContact C-N 3.33Å; P71-L74 HydrophobicContact CB-CD1 4.2Å; P71-L74 HydrophobicContact CB-CD2 4.3Å; P71-L74 HydrophobicContact CB-CG 4.02Å; P71-L74 HydrophobicContact CG-CD1 4.23Å; P71-L74 HydrophobicContact CG-CD2 4.22Å; P71-L74 HydrophobicContact CG-CG 4.31Å; P71-F142 HydrophobicContact CG-CE1 4.45Å; P71-F142 HydrophobicContact CG-CZ 3.91Å
72	H	92.9	Very high	93.7	Very high	114 Å²	114	64.2 Å²	64.2	53%	0.528	34%	0.337	S	S	.	.	S	Bend	trans	-78.2	-21.2	177.2	70.1	-88.2	0	0	0	112.3	V49 F50 A70	V49-H72 VanDerWaalsContact CG1-CE1 3.47Å; V49-H72 WeakPolarHBondContact CG1-CE1 3.24Å; V49-H72 PolarHBondContact O-N 3.13Å; V49-H72 PolarHBondContact O-ND1 3.44Å; F50-H72 PolarHBondContact O-ND1 3.14Å; A70-H72 PolarHBondContact O-N 2.99Å
73	V	95.1	Very high	94.1	Very high	49 Å²	49	65.2 Å²	65.2	30%	0.297	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	123.2	170.9	172.6	0	0	0	0	110.5	K47 V49 P71 T75	K47-V73 HydrophobicContact CD-CG1 4.49Å; V49-V73 HydrophobicContact CB-CB 3.98Å; V49-V73 HydrophobicContact CG2-CB 3.97Å; V49-V73 HydrophobicContact CG2-CG1 4.18Å; V49-V73 PolarHBondContact N-O 2.78Å; V49-V73 PolarHBondContact O-N 3.16Å; P71-V73 VanDerWaalsContact C-N 3.33Å; V73-T75 HydrophobicContact CG1-CG2 4.14Å
74	L	96.8	Very high	94.7	Very high	17 Å²	17	63.3 Å²	63.3	9%	0.089	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	115.1	167.3	-73.5	152.5	0	0	0	107.8	L46 K47 V48 P71 L86 W107 I117	L46-L74 HydrophobicContact CD2-CD2 4.03Å; L46-L74 HydrophobicContact CG-CD2 4.37Å; K47-L74 WeakPolarHBondContact O-CA 3.37Å; V48-L74 HydrophobicContact CB-CD2 4.29Å; V48-L74 HydrophobicContact CG1-CD2 4.14Å; V48-L74 HydrophobicContact CG2-CD2 3.8Å; P71-L74 HydrophobicContact CB-CD1 4.2Å; P71-L74 HydrophobicContact CB-CD2 4.3Å; P71-L74 HydrophobicContact CB-CG 4.02Å; P71-L74 HydrophobicContact CG-CD1 4.23Å; P71-L74 HydrophobicContact CG-CD2 4.22Å; P71-L74 HydrophobicContact CG-CG 4.31Å; L74-L86 HydrophobicContact CD1-CD2 4.09Å; L74-W107 HydrophobicContact CD1-CH2 3.41Å; L74-W107 VanDerWaalsContact CD1-CH2 3.41Å; L74-W107 HydrophobicContact CD1-CZ3 3.32Å; L74-I117 HydrophobicContact CB-CG1 4.08Å; L74-I117 HydrophobicContact CD1-CG1 4.19Å
75	T	96.5	Very high	95.2	Very high	49 Å²	49	62.7 Å²	62.7	30%	0.301	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.7	144.1	-178.3	-165.7	0	0	0	0	112.7	K47 V73 N115	K47-T75 HydrophobicContact CB-CG2 3.69Å; K47-T75 HydrophobicContact CD-CG2 3.79Å; K47-T75 HydrophobicContact CG-CG2 4.11Å; K47-T75 PolarHBondContact N-O 3.29Å; K47-T75 PolarHBondContact O-N 2.87Å; V73-T75 HydrophobicContact CG1-CG2 4.14Å; T75-N115 PolarHBondContact OG1-ND2 3.4Å
76	W	96.1	Very high	95.7	Very high	9 Å²	9	59 Å²	59	3%	0.034	30%	0.301	C	S	.	.			trans	-145	166.8	174.6	62.1	100.2	0	0	0	107.8	L46 A78 Y84 I112 M114 N115 I117 V144 A183	L46-W76 HydrophobicContact CD1-CB 4.32Å; L46-W76 HydrophobicContact CD1-CD2 4.28Å; L46-W76 HydrophobicContact CD1-CE3 3.44Å; L46-W76 VanDerWaalsContact CD1-CE3 3.44Å; L46-W76 HydrophobicContact CD1-CZ3 4.09Å; W76-A78 VanDerWaalsContact C-N 3.27Å; W76-A78 PolarHBondContact O-N 2.76Å; W76-Y84 HydrophobicContact CZ2-CD1 4.1Å; W76-Y84 HydrophobicContact CZ2-CD2 4.07Å; W76-Y84 AromaticContact CZ2-CG 3.71Å; W76-Y84 HydrophobicContact CZ2-CG 3.71Å; W76-Y84 AromaticContact NE1-CD1 3.53Å; W76-Y84 AromaticContact NE1-CE1 3.42Å; W76-Y84 AromaticContact NE1-CE2 3.96Å; W76-Y84 AromaticContact NE1-CG 3.85Å; W76-Y84 AromaticContact NE1-CZ 3.64Å; W76-I112 HydrophobicContact CH2-CG2 4.18Å; W76-I112 HydrophobicContact CZ2-CG2 4.49Å; W76-M114 WeakPolarHBondContact CZ2-O 3.37Å; W76-N115 HydrophobicContact CD2-CB 4.1Å; W76-N115 HydrophobicContact CE3-CB 4.01Å; W76-N115 HydrophobicContact CH2-CB 3.91Å; W76-N115 HydrophobicContact CZ2-CB 3.97Å; W76-N115 HydrophobicContact CZ3-CB 3.91Å; W76-N115 PolarHBondContact O-ND2 2.92Å; W76-I117 HydrophobicContact CH2-CD1 3.68Å; W76-I117 HydrophobicContact CZ3-CD1 3.86Å; W76-V144 HydrophobicContact CD2-CG1 4.12Å; W76-V144 HydrophobicContact CE3-CG2 4.3Å; W76-V144 HydrophobicContact CH2-CG1 4.17Å; W76-V144 HydrophobicContact CH2-CG2 4.43Å; W76-V144 HydrophobicContact CZ2-CG1 3.72Å; W76-V144 HydrophobicContact CZ3-CG2 4.23Å; W76-A183 HydrophobicContact CB-CB 3.74Å; W76-A183 HydrophobicContact CG-CB 4.17Å
77	N	96.4	Very high	96.1	Very high	130 Å²	130	56.1 Å²	56.1	70%	0.695	29%	0.286	S	S	*	.			trans	-74.3	84.8	174	-58.7	-47.1	0	0	0	109	Q44	Q44-N77 PolarHBondContact NE2-O 3.49Å; Q44-N77 VanDerWaalsContact OE1-CB 3.23Å; Q44-N77 PolarHBondContact OE1-ND2 2.84Å
78	A	97	Very high	96.4	Very high	29 Å²	29	56.1 Å²	56.1	24%	0.24	29%	0.286	C	S	.	.	P	Polyproline II helix	trans	-80.7	143.8	179.6	0	0	0	0	0	111.5	W76 Y84 M114 N115	W76-A78 VanDerWaalsContact C-N 3.27Å; W76-A78 PolarHBondContact O-N 2.76Å; A78-Y84 WeakPolarHBondContact CA-OH 3.46Å; A78-Y84 HydrophobicContact CB-CE2 3.82Å; A78-M114 HydrophobicContact CB-CB 4.02Å; A78-N115 HydrophobicContact CB-CB 4.27Å
79	Y	96.7	Very high	96.8	Very high	123 Å²	123	52.9 Å²	52.9	48%	0.482	27%	0.273	S	S	.	.	P	Polyproline II helix	trans	-78.5	143.2	173	-59.1	-58.3	0	0	0	110.7	Q82 Y84 L146	Y79-Q82 PolarHBondContact O-N 2.8Å; Y79-Y84 VanDerWaalsContact CD2-OH 3.28Å; Y79-Y84 WeakPolarHBondContact CD2-OH 3.43Å; Y79-Y84 PolarHBondContact N-OH 3.4Å; Y79-L146 HydrophobicContact CD2-CD1 4.47Å; Y79-L146 HydrophobicContact CD2-CD2 4.18Å; Y79-L146 HydrophobicContact CE2-CD2 4.22Å
80	M	95.5	Very high	97	Very high	146 Å²	146	46.7 Å²	46.7	72%	0.719	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61	140.8	175.2	-162.2	-178.6	-161.8	0	0	110.7	Q82 M114	M80-Q82 PolarHBondContact O-N 3.07Å; M80-M114 HydrophobicContact CG-SD 4.44Å
81	N	94.8	Very high	97.1	Very high	143 Å²	143	44.8 Å²	44.8	77%	0.765	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	59.5	20.7	177.9	-53.8	-36.3	0	0	0	115.2
82	Q	98.1	Very high	97	Very high	79 Å²	79	44.2 Å²	44.2	37%	0.369	23%	0.225	S	C	.	.			trans	-103.7	153.8	173.7	-67.3	-60.3	-27.1	0	0	111.8	Y79 M80 Y84 M114 L146	Y79-Q82 PolarHBondContact O-N 2.8Å; M80-Q82 PolarHBondContact O-N 3.07Å; Q82-Y84 HydrophobicContact CB-CE2 3.85Å; Q82-M114 PolarHBondContact O-N 3.16Å; Q82-L146 HydrophobicContact CB-CD1 3.6Å; Q82-L146 HydrophobicContact CG-CD1 3.9Å
83	L	98.6	Very high	97	Very high	33 Å²	33	39.1 Å²	39.1	17%	0.173	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	146.9	174.8	-64.2	179.7	0	0	0	110.4	N111 I112 P113 Q147 R150	L83-N111 HydrophobicContact CD1-CB 4.47Å; L83-I112 CarbonylContact C-O 3.52Å; L83-I112 WeakPolarHBondContact CA-O 3.34Å; L83-P113 HydrophobicContact CD2-CB 4.36Å; L83-Q147 HydrophobicContact CB-CB 4.04Å; L83-Q147 WeakPolarHBondContact O-CB 3.26Å; L83-Q147 PolarHBondContact O-N 2.91Å; L83-R150 HydrophobicContact CD1-CB 3.91Å; L83-R150 HydrophobicContact CD1-CG 4.42Å
84	Y	98.7	Very high	96.7	Very high	0 Å²	0	38.7 Å²	38.7	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	153.9	-179.3	-67.6	-93.9	0	0	0	111.8	W76 A78 Y79 Q82 V110 N111 I112 M114 V144 Y145 L146 Q147 E182	W76-Y84 HydrophobicContact CZ2-CD1 4.1Å; W76-Y84 HydrophobicContact CZ2-CD2 4.07Å; W76-Y84 AromaticContact CZ2-CG 3.71Å; W76-Y84 HydrophobicContact CZ2-CG 3.71Å; W76-Y84 AromaticContact NE1-CD1 3.53Å; W76-Y84 AromaticContact NE1-CE1 3.42Å; W76-Y84 AromaticContact NE1-CE2 3.96Å; W76-Y84 AromaticContact NE1-CG 3.85Å; W76-Y84 AromaticContact NE1-CZ 3.64Å; A78-Y84 WeakPolarHBondContact CA-OH 3.46Å; A78-Y84 HydrophobicContact CB-CE2 3.82Å; Y79-Y84 VanDerWaalsContact CD2-OH 3.28Å; Y79-Y84 WeakPolarHBondContact CD2-OH 3.43Å; Y79-Y84 PolarHBondContact N-OH 3.4Å; Q82-Y84 HydrophobicContact CB-CE2 3.85Å; Y84-V110 CarbonylContact O-C 3.5Å; Y84-N111 PolarHBondContact O-N 2.87Å; Y84-N111 VanDerWaalsContact O-N 3.16Å; Y84-I112 PolarHBondContact N-O 2.86Å; Y84-I112 WeakPolarHBondContact O-CB 3.16Å; Y84-I112 PolarHBondContact O-N 2.92Å; Y84-M114 WeakPolarHBondContact CD2-O 3.22Å; Y84-V144 HydrophobicContact CD1-CG1 3.75Å; Y84-V144 HydrophobicContact CG-CG1 4.32Å; Y84-Y145 CarbonylContact C-O 3.4Å; Y84-Y145 WeakPolarHBondContact CA-O 3.3Å; Y84-Y145 WeakPolarHBondContact CD1-O 3.15Å; Y84-L146 HydrophobicContact CD1-CB 4.32Å; Y84-L146 HydrophobicContact CD1-CD1 4.37Å; Y84-L146 HydrophobicContact CE1-CB 3.96Å; Y84-L146 HydrophobicContact CE1-CD1 3.78Å; Y84-L146 HydrophobicContact CE1-CG 4.47Å; Y84-L146 HydrophobicContact CE2-CD1 4.21Å; Y84-Q147 VanDerWaalsContact C-OE1 3.27Å; Y84-Q147 PolarHBondContact O-OE1 2.85Å; Y84-Q147 VanDerWaalsContact O-OE1 3.07Å; Y84-E182 HydrophobicContact CE1-CB 4.41Å; Y84-E182 HydrophobicContact CE1-CG 4.07Å
85	T	98.6	Very high	96.3	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	134.6	168	-68.6	0	0	0	0	109.6	L87 L108 V109 V110 V144 Y145 Q147 F172 L178	T85-L87 HydrophobicContact CG2-CD1 3.85Å; T85-L87 HydrophobicContact CG2-CG 4.42Å; T85-L108 HydrophobicContact CG2-CD1 3.83Å; T85-V109 CarbonylContact C-O 3.56Å; T85-V109 WeakPolarHBondContact CA-O 3.38Å; T85-V110 HydrophobicContact CG2-CG1 3.89Å; T85-V144 CarbonylContact O-C 3.52Å; T85-V144 WeakPolarHBondContact O-CA 3.28Å; T85-Y145 PolarHBondContact N-O 3.31Å; T85-Y145 PolarHBondContact O-N 3.01Å; T85-Q147 PolarHBondContact OG1-OE1 2.93Å; T85-F172 HydrophobicContact CG2-CE1 3.91Å; T85-L178 HydrophobicContact CG2-CD1 4.42Å
86	L	98.7	Very high	96	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	130.1	172.3	174.5	69.7	0	0	0	109.5	L46 L74 W107 L108 V109 I112 I117 F142 T143 V144	L46-L86 HydrophobicContact CD2-CD1 4.24Å; L74-L86 HydrophobicContact CD1-CD2 4.09Å; L86-W107 HydrophobicContact CD2-CD2 4.19Å; L86-W107 HydrophobicContact CD2-CE3 3.65Å; L86-W107 HydrophobicContact CD2-CH2 3.87Å; L86-W107 HydrophobicContact CD2-CZ2 4.38Å; L86-W107 HydrophobicContact CD2-CZ3 3.49Å; L86-W107 VanDerWaalsContact CD2-CZ3 3.49Å; L86-L108 WeakPolarHBondContact O-CA 3.19Å; L86-V109 PolarHBondContact N-O 2.86Å; L86-V109 PolarHBondContact O-N 2.94Å; L86-I112 HydrophobicContact CB-CD1 3.65Å; L86-I117 HydrophobicContact CD2-CD1 3.95Å; L86-F142 HydrophobicContact CD1-CD1 4.14Å; L86-T143 WeakPolarHBondContact CA-O 3.38Å; L86-V144 HydrophobicContact CD1-CG2 3.55Å
87	L	98.4	Very high	95.8	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	147.5	166.7	-64.1	107.8	0	0	0	110.8	T85 L105 W107 L108 F142 T143 Y145 W167 F172	T85-L87 HydrophobicContact CG2-CD1 3.85Å; T85-L87 HydrophobicContact CG2-CG 4.42Å; L87-L105 HydrophobicContact CD2-CD1 4.37Å; L87-W107 CarbonylContact C-O 3.44Å; L87-W107 WeakPolarHBondContact CA-O 3.36Å; L87-L108 HydrophobicContact CD1-CD1 4.45Å; L87-L108 HydrophobicContact CD2-CD1 3.88Å; L87-L108 HydrophobicContact CG-CD1 3.71Å; L87-F142 WeakPolarHBondContact O-CA 3.35Å; L87-T143 PolarHBondContact N-O 2.84Å; L87-T143 PolarHBondContact O-N 3.2Å; L87-Y145 HydrophobicContact CD1-CD2 3.84Å; L87-Y145 HydrophobicContact CD1-CE2 3.73Å; L87-W167 HydrophobicContact CD2-CZ2 3.97Å; L87-F172 HydrophobicContact CD1-CD1 4.21Å; L87-F172 HydrophobicContact CD1-CE1 4.47Å; L87-F172 HydrophobicContact CD2-CD1 4.22Å; L87-F172 HydrophobicContact CD2-CG 4.46Å
88	M	98.5	Very high	95.7	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	123.1	163.2	-174	-172.3	171.6	0	0	109.1	H106 W107 Y126 Y140 V141 F142 F187	M88-H106 HydrophobicContact CB-CB 4.09Å; M88-H106 HydrophobicContact CE-CB 4.28Å; M88-H106 HydrophobicContact CG-CB 3.85Å; M88-H106 WeakPolarHBondContact O-CA 3.4Å; M88-H106 WeakPolarHBondContact O-CB 3.34Å; M88-H106 PolarHBondContact O-N 3.38Å; M88-H106 HydrophobicContact SD-CB 3.81Å; M88-W107 HydrophobicContact CB-CB 3.81Å; M88-W107 PolarHBondContact N-O 2.75Å; M88-W107 PolarHBondContact O-N 2.65Å; M88-Y126 HydrophobicContact CE-CE2 4.24Å; M88-Y126 HydrophobicContact SD-CD2 4.13Å; M88-Y126 HydrophobicContact SD-CE2 3.52Å; M88-Y126 VanDerWaalsContact SD-CE2 3.52Å; M88-Y140 HydrophobicContact CE-CD1 3.92Å; M88-Y140 HydrophobicContact CE-CG 4.15Å; M88-V141 VanDerWaalsContact CA-O 3.28Å; M88-V141 WeakPolarHBondContact CA-O 3.43Å; M88-F142 HydrophobicContact CB-CD1 3.8Å; M88-F142 HydrophobicContact CB-CE1 3.74Å; M88-F142 HydrophobicContact CE-CE2 4.46Å; M88-F142 HydrophobicContact CE-CZ 4.1Å; M88-F142 HydrophobicContact CG-CD1 3.94Å; M88-F142 HydrophobicContact CG-CE1 3.66Å; M88-F142 HydrophobicContact CG-CE2 4.45Å; M88-F142 HydrophobicContact CG-CG 4.45Å; M88-F142 HydrophobicContact CG-CZ 3.94Å; M88-F142 HydrophobicContact SD-CD1 4.44Å; M88-F142 HydrophobicContact SD-CE1 3.58Å; M88-F142 VanDerWaalsContact SD-CE1 3.58Å; M88-F142 HydrophobicContact SD-CE2 4.31Å; M88-F142 HydrophobicContact SD-CZ 3.49Å; M88-F142 WeakPolarHBondContact SD-CZ 3.49Å; M88-F187 HydrophobicContact CE-CE1 3.84Å; M88-F187 HydrophobicContact CE-CZ 3.66Å
89	T	98.3	Very high	95.5	Very high	0 Å²	0	47 Å²	47	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	154	-176.8	63.3	0	0	0	0	113.5	E103 F104 L105 V141 T169	T89-E103 WeakPolarHBondContact CB-OE2 3.45Å; T89-E103 WeakPolarHBondContact CG2-OE2 3.36Å; T89-E103 PolarHBondContact OG1-OE2 2.7Å; T89-F104 CarbonylContact C-O 3.59Å; T89-F104 VanDerWaalsContact CA-O 3.3Å; T89-F104 WeakPolarHBondContact CA-O 3.45Å; T89-L105 HydrophobicContact CG2-CD1 3.97Å; T89-V141 PolarHBondContact N-O 2.94Å; T89-V141 PolarHBondContact O-N 2.82Å; T89-T169 WeakPolarHBondContact CG2-OG1 3.36Å
90	D	97.7	Very high	95.3	Very high	7 Å²	7	46 Å²	46	4%	0.037	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	103.8	174.1	172.5	7.2	0	0	0	109.5	D92 A93 E103 F104 H138 R139 Y140	D90-D92 PolarHBondContact O-N 2.92Å; D90-D92 WeakPolarHBondContact OD1-CA 3.08Å; D90-D92 WeakPolarHBondContact OD1-CB 3.48Å; D90-D92 PolarHBondContact OD1-N 3.37Å; D90-A93 PolarHBondContact OD1-N 2.85Å; D90-E103 CarbonylContact O-C 3.16Å; D90-E103 WeakPolarHBondContact O-CA 3.18Å; D90-F104 HydrophobicContact CB-CB 4.23Å; D90-F104 PolarHBondContact N-O 2.82Å; D90-F104 PolarHBondContact O-N 2.89Å; D90-H138 IonicContact OD1-CG 2.84Å; D90-H138 IonicContact OD1-ND1 3.78Å; D90-H138 PolarHBondContact OD1-ND1 2.88Å; D90-H138 IonicContact OD2-CE1 2.71Å; D90-H138 IonicContact OD2-CG 3.83Å; D90-H138 IonicContact OD2-ND1 3.8Å; D90-H138 PolarHBondContact OD2-ND1 2.79Å; D90-R139 WeakPolarHBondContact CA-O 3.06Å; D90-Y140 HydrophobicContact CB-CD1 4.03Å; D90-Y140 HydrophobicContact CB-CE1 3.79Å
91	P	98	Very high	95	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	21%	0.212	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.8	-7.3	176.8	31.6	-34.5	0	0	0	113.8	D36 V37 R102 E103 R139 V141	D36-P91 HydrophobicContact CB-CB 4.48Å; V37-P91 HydrophobicContact CG2-CB 3.63Å; V37-P91 HydrophobicContact CG2-CG 3.69Å; P91-R102 HydrophobicContact CB-CG 4.26Å; P91-R102 WeakPolarHBondContact O-CB 3.48Å; P91-R102 WeakPolarHBondContact O-CG 3.28Å; P91-R102 PolarHBondContact O-NE 3.3Å; P91-R102 PolarHBondContact O-NH2 3.14Å; P91-E103 HydrophobicContact CB-CG 4.3Å; P91-R139 VanDerWaalsContact CD-O 3.28Å; P91-R139 WeakPolarHBondContact CD-O 3.27Å; P91-R139 HydrophobicContact CG-CB 4.24Å; P91-V141 HydrophobicContact CG-CG2 4.47Å
92	D	96.4	Very high	95	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	19%	0.189	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.8	5.5	-173.4	-60.1	-37	0	0	0	111.5	D90 P94 S95 R96 R102 H138 R139	D90-D92 PolarHBondContact O-N 2.92Å; D90-D92 WeakPolarHBondContact OD1-CA 3.08Å; D90-D92 WeakPolarHBondContact OD1-CB 3.48Å; D90-D92 PolarHBondContact OD1-N 3.37Å; D92-P94 CarbonylContact O-C 3.53Å; D92-S95 CarbonylContact O-C 3.2Å; D92-S95 WeakPolarHBondContact O-CA 3.44Å; D92-S95 PolarHBondContact O-N 3.19Å; D92-S95 VanDerWaalsContact O-O 3.04Å; D92-R96 HydrophobicContact CB-CB 3.96Å; D92-R96 PolarHBondContact O-N 3.03Å; D92-R96 WeakPolarHBondContact OD1-CG 3.24Å; D92-R102 IonicContact OD1-NH2 3.34Å; D92-H138 HydrophobicContact CB-CB 4.12Å; D92-H138 PolarHBondContact O-CE1 3.43Å; D92-R139 IonicContact OD1-CZ 3.6Å; D92-R139 IonicContact OD1-NE 2.8Å; D92-R139 PolarHBondContact OD1-NE 2.77Å; D92-R139 IonicContact OD1-NH2 3.34Å; D92-R139 PolarHBondContact OD1-NH2 3.47Å; D92-R139 WeakPolarHBondContact OD2-CB 3.18Å; D92-R139 WeakPolarHBondContact OD2-CG 3.08Å; D92-R139 IonicContact OD2-CZ 3.93Å; D92-R139 PolarHBondContact OD2-N 3.06Å; D92-R139 IonicContact OD2-NE 3.69Å; D92-R139 PolarHBondContact OD2-NE 2.77Å; D92-R139 IonicContact OD2-NH2 2.79Å
93	A	91.2	Very high	95	Very high	8 Å²	8	33.7 Å²	33.7	7%	0.066	17%	0.173	C	C	.	.	S	Bend	trans	-70.1	133	-179.9	0	0	0	0	0	113.7	D90 P99 N101 R102 F104	D90-A93 PolarHBondContact OD1-N 2.85Å; A93-P99 CarbonylContact O-C 2.75Å; A93-P99 VanDerWaalsContact O-CA 3.25Å; A93-P99 WeakPolarHBondContact O-CA 3.38Å; A93-N101 HydrophobicContact CB-CB 4.06Å; A93-N101 CarbonylContact O-C 3.55Å; A93-N101 WeakPolarHBondContact O-CA 3.34Å; A93-N101 WeakPolarHBondContact O-CB 3.48Å; A93-N101 PolarHBondContact O-N 3.49Å; A93-R102 PolarHBondContact O-N 3.44Å; A93-F104 HydrophobicContact CB-CB 3.79Å
94	P	88.8	Confident	94.8	Very high	39 Å²	39	33.7 Å²	33.7	25%	0.253	17%	0.171	S	C	.	.	S	Bend	cis	-82.4	-16.1	-7	35	-37.7	0	0	0	114.5	D92 N98 I100 T135 H138	D92-P94 CarbonylContact O-C 3.53Å; P94-N98 WeakPolarHBondContact CD-O 3.33Å; P94-I100 HydrophobicContact CG-CD1 4.5Å; P94-I100 HydrophobicContact CG-CG1 3.98Å; P94-T135 WeakPolarHBondContact O-CB 3.42Å; P94-T135 WeakPolarHBondContact O-CG2 3.28Å; P94-H138 PolarHBondContact O-CE1 3.18Å; P94-H138 PolarHBondContact O-NE2 3.1Å; P94-H138 VanDerWaalsContact O-NE2 3.16Å
95	S	89.8	Confident	94.8	Very high	20 Å²	20	33.7 Å²	33.7	14%	0.14	17%	0.171	C	C	.	.			trans	-147.4	151	168.1	64.9	0	0	0	0	110	D92 D97 N98 P99	D92-S95 CarbonylContact O-C 3.2Å; D92-S95 WeakPolarHBondContact O-CA 3.44Å; D92-S95 PolarHBondContact O-N 3.19Å; D92-S95 VanDerWaalsContact O-O 3.04Å; S95-D97 PolarHBondContact O-N 3Å; S95-N98 CarbonylContact O-C 3.54Å; S95-N98 PolarHBondContact O-N 3.09Å; S95-N98 VanDerWaalsContact O-N 3.09Å; S95-N98 PolarHBondContact OG-N 3.26Å; S95-P99 VanDerWaalsContact O-CA 3.26Å; S95-P99 WeakPolarHBondContact O-CA 3.41Å; S95-P99 WeakPolarHBondContact O-CB 3.39Å; S95-P99 VanDerWaalsContact O-N 3.1Å
96	R	89.3	Confident	94.7	Very high	97 Å²	97	34.1 Å²	34.1	37%	0.366	17%	0.173	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.3	-33.6	178.2	-174.2	167.6	-176.4	168.8	5	113	Y31 D92	Y31-R96 PolarHBondContact O-NH2 3.46Å; Y31-R96 VanDerWaalsContact O-NH2 3.13Å; D92-R96 HydrophobicContact CB-CB 3.96Å; D92-R96 PolarHBondContact O-N 3.03Å; D92-R96 WeakPolarHBondContact OD1-CG 3.24Å
97	D	93.1	Very high	94.6	Very high	158 Å²	158	35.1 Å²	35.1	85%	0.845	18%	0.177	S	C	*	.	T	Hydrogen-bonded Turn	trans	-73.7	-26.2	179.7	-65.6	-21.1	0	0	0	113	S95	S95-D97 PolarHBondContact O-N 3Å
98	N	93.2	Very high	94.6	Very high	97 Å²	97	35.1 Å²	35.1	52%	0.519	18%	0.177	S	C	.	.	S	Bend	trans	-142.4	71.9	178	-173	27.1	0	0	0	111.3	P94 S95 I100	P94-N98 WeakPolarHBondContact CD-O 3.33Å; S95-N98 CarbonylContact O-C 3.54Å; S95-N98 PolarHBondContact O-N 3.09Å; S95-N98 VanDerWaalsContact O-N 3.09Å; S95-N98 PolarHBondContact OG-N 3.26Å; N98-I100 VanDerWaalsContact C-N 3.25Å; N98-I100 PolarHBondContact O-N 3.21Å; N98-I100 VanDerWaalsContact OD1-CG2 3.31Å; N98-I100 WeakPolarHBondContact OD1-CG2 3.28Å
99	P	92.6	Very high	94.6	Very high	37 Å²	37	35.1 Å²	35.1	24%	0.24	18%	0.177	C	C	.	.			trans	-86.5	55.5	-166	37	-38.3	0	0	0	112.3	A93 S95 N101 R102	A93-P99 CarbonylContact O-C 2.75Å; A93-P99 VanDerWaalsContact O-CA 3.25Å; A93-P99 WeakPolarHBondContact O-CA 3.38Å; S95-P99 VanDerWaalsContact O-CA 3.26Å; S95-P99 WeakPolarHBondContact O-CA 3.41Å; S95-P99 WeakPolarHBondContact O-CB 3.39Å; S95-P99 VanDerWaalsContact O-N 3.1Å; P99-N101 PolarHBondContact O-N 3.26Å; P99-N101 VanDerWaalsContact O-N 3.07Å; P99-R102 HydrophobicContact CB-CB 4.1Å; P99-R102 WeakPolarHBondContact O-CB 3.39Å; P99-R102 PolarHBondContact O-N 3.3Å
100	I	92.7	Very high	94.6	Very high	103 Å²	103	35.2 Å²	35.2	53%	0.528	18%	0.178	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.1	-17.1	-175.4	61.2	168.7	0	0	0	114.8	P94 N98	P94-I100 HydrophobicContact CG-CD1 4.5Å; P94-I100 HydrophobicContact CG-CG1 3.98Å; N98-I100 VanDerWaalsContact C-N 3.25Å; N98-I100 PolarHBondContact O-N 3.21Å; N98-I100 VanDerWaalsContact OD1-CG2 3.31Å; N98-I100 WeakPolarHBondContact OD1-CG2 3.28Å
101	N	89.6	Confident	94.6	Very high	29 Å²	29	35 Å²	35	16%	0.155	18%	0.176	C	C	.	.	T	Hydrogen-bonded Turn	trans	-107.7	9.7	178.1	-66.7	-38.5	0	0	0	112.4	A93 P99 E103 R165 K166	A93-N101 HydrophobicContact CB-CB 4.06Å; A93-N101 CarbonylContact O-C 3.55Å; A93-N101 WeakPolarHBondContact O-CA 3.34Å; A93-N101 WeakPolarHBondContact O-CB 3.48Å; A93-N101 PolarHBondContact O-N 3.49Å; P99-N101 PolarHBondContact O-N 3.26Å; P99-N101 VanDerWaalsContact O-N 3.07Å; N101-E103 CarbonylContact O-C 3.1Å; N101-E103 PolarHBondContact O-N 2.8Å; N101-R165 HydrophobicContact CB-CB 4.24Å; N101-R165 HydrophobicContact CB-CG 4.22Å; N101-K166 PolarHBondContact O-N 2.84Å
102	R	95	Very high	94.6	Very high	75 Å²	75	35 Å²	35	28%	0.283	18%	0.176	S	C	.	.	P	Polyproline II helix	trans	-56.1	130.3	176.9	173.4	179	-65.8	-168.1	-8.2	111.1	D36 P91 D92 A93 P99 K166	D36-R102 IonicContact OD1-CZ 3.33Å; D36-R102 IonicContact OD1-NH1 3.9Å; D36-R102 PolarHBondContact OD1-NH1 3.44Å; D36-R102 IonicContact OD1-NH2 3.79Å; D36-R102 IonicContact OD2-CZ 3.39Å; D36-R102 IonicContact OD2-NH1 3.7Å; D36-R102 IonicContact OD2-NH2 3.77Å; D36-R102 PolarHBondContact OD2-NH2 3.42Å; P91-R102 HydrophobicContact CB-CG 4.26Å; P91-R102 WeakPolarHBondContact O-CB 3.48Å; P91-R102 WeakPolarHBondContact O-CG 3.28Å; P91-R102 PolarHBondContact O-NE 3.3Å; P91-R102 PolarHBondContact O-NH2 3.14Å; D92-R102 IonicContact OD1-NH2 3.34Å; A93-R102 PolarHBondContact O-N 3.44Å; P99-R102 HydrophobicContact CB-CB 4.1Å; P99-R102 WeakPolarHBondContact O-CB 3.39Å; P99-R102 PolarHBondContact O-N 3.3Å; R102-K166 WeakPolarHBondContact O-CA 3.43Å
103	E	97.3	Very high	94.7	Very high	4 Å²	4	37 Å²	37	2%	0.019	19%	0.19	C	C	.	.	S	Bend	cis	-87.6	154.6	-15.8	-60	164	-128.1	0	0	110.4	T89 D90 P91 N101 R165 K166 W167 T169	T89-E103 WeakPolarHBondContact CB-OE2 3.45Å; T89-E103 WeakPolarHBondContact CG2-OE2 3.36Å; T89-E103 PolarHBondContact OG1-OE2 2.7Å; D90-E103 CarbonylContact O-C 3.16Å; D90-E103 WeakPolarHBondContact O-CA 3.18Å; P91-E103 HydrophobicContact CB-CG 4.3Å; N101-E103 CarbonylContact O-C 3.1Å; N101-E103 PolarHBondContact O-N 2.8Å; E103-R165 CarbonylContact O-C 3.54Å; E103-K166 PolarHBondContact O-N 2.97Å; E103-W167 HydrophobicContact CB-CB 4.24Å; E103-W167 WeakPolarHBondContact CB-O 3.42Å; E103-W167 PolarHBondContact N-O 2.87Å; E103-W167 WeakPolarHBondContact O-CB 3.33Å; E103-W167 PolarHBondContact O-N 3.09Å; E103-T169 PolarHBondContact OE1-N 2.71Å; E103-T169 WeakPolarHBondContact OE2-CB 3.5Å; E103-T169 PolarHBondContact OE2-OG1 3.03Å
104	F	95.8	Very high	95	Very high	34 Å²	34	39.7 Å²	39.7	15%	0.149	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94	125.8	165.1	-167.5	-86	0	0	0	110.3	T89 D90 A93 H106 R164 R165	T89-F104 CarbonylContact C-O 3.59Å; T89-F104 VanDerWaalsContact CA-O 3.3Å; T89-F104 WeakPolarHBondContact CA-O 3.45Å; D90-F104 HydrophobicContact CB-CB 4.23Å; D90-F104 PolarHBondContact N-O 2.82Å; D90-F104 PolarHBondContact O-N 2.89Å; A93-F104 HydrophobicContact CB-CB 3.79Å; F104-H106 AromaticContact CD1-CD2 3.69Å; F104-H106 AromaticContact CD1-NE2 3.47Å; F104-H106 WeakPolarHBondContact CD1-NE2 3.44Å; F104-H106 PolarHBondContact O-CD2 3.28Å; F104-H106 PolarHBondContact O-N 2.89Å; F104-R164 CarbonylContact C-O 3.53Å; F104-R164 WeakPolarHBondContact CA-O 3.47Å; F104-R164 HydrophobicContact CD1-CB 4.3Å; F104-R164 HydrophobicContact CD2-CB 4.18Å; F104-R164 HydrophobicContact CE1-CB 3.87Å; F104-R164 HydrophobicContact CE1-CG 4.5Å; F104-R164 HydrophobicContact CE2-CB 3.73Å; F104-R164 HydrophobicContact CG-CB 4.45Å; F104-R164 HydrophobicContact CZ-CB 3.57Å; F104-R164 HydrophobicContact CZ-CG 4.37Å; F104-R165 HydrophobicContact CD2-CG 3.81Å; F104-R165 HydrophobicContact CE2-CG 3.93Å
105	L	97.1	Very high	95.3	Very high	0 Å²	0	40 Å²	40	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81	112.3	-179.7	-178	65.4	0	0	0	111.7	L87 T89 L108 A124 F159 R164 W167	L87-L105 HydrophobicContact CD2-CD1 4.37Å; T89-L105 HydrophobicContact CG2-CD1 3.97Å; L105-L108 HydrophobicContact CD1-CB 4.24Å; L105-L108 HydrophobicContact CD2-CB 4.21Å; L105-A124 HydrophobicContact CD2-CB 3.7Å; L105-A124 HydrophobicContact CG-CB 4.31Å; L105-F159 HydrophobicContact CD2-CD1 3.76Å; L105-F159 HydrophobicContact CD2-CE1 3.62Å; L105-R164 HydrophobicContact CB-CB 4.21Å; L105-R164 HydrophobicContact CB-CG 4.26Å; L105-R164 PolarHBondContact N-O 3.07Å; L105-R164 WeakPolarHBondContact O-CD 3.4Å; L105-R164 WeakPolarHBondContact O-CG 3.34Å; L105-R164 PolarHBondContact O-NH1 3.13Å; L105-W167 HydrophobicContact CB-CB 4.06Å; L105-W167 HydrophobicContact CB-CD2 4.08Å; L105-W167 HydrophobicContact CB-CE3 4.39Å; L105-W167 HydrophobicContact CB-CG 3.94Å; L105-W167 HydrophobicContact CD1-CD2 4.18Å; L105-W167 HydrophobicContact CD1-CG 4.27Å; L105-W167 HydrophobicContact CD1-CZ2 4.45Å; L105-W167 HydrophobicContact CD2-CD2 3.92Å; L105-W167 HydrophobicContact CD2-CE3 3.81Å; L105-W167 HydrophobicContact CD2-CH2 4.08Å; L105-W167 HydrophobicContact CD2-CZ2 4.18Å; L105-W167 HydrophobicContact CD2-CZ3 3.91Å; L105-W167 HydrophobicContact CG-CD2 4.28Å; L105-W167 HydrophobicContact CG-CG 4.5Å
106	H	96.7	Very high	95.7	Very high	9 Å²	9	43.3 Å²	43.3	4%	0.042	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	-38.1	177.2	-81.6	-95.7	0	0	0	112.8	M88 F104 Y126 V127 G128 Y140 R164	M88-H106 HydrophobicContact CB-CB 4.09Å; M88-H106 HydrophobicContact CE-CB 4.28Å; M88-H106 HydrophobicContact CG-CB 3.85Å; M88-H106 WeakPolarHBondContact O-CA 3.4Å; M88-H106 WeakPolarHBondContact O-CB 3.34Å; M88-H106 PolarHBondContact O-N 3.38Å; M88-H106 HydrophobicContact SD-CB 3.81Å; F104-H106 AromaticContact CD1-CD2 3.69Å; F104-H106 AromaticContact CD1-NE2 3.47Å; F104-H106 WeakPolarHBondContact CD1-NE2 3.44Å; F104-H106 PolarHBondContact O-CD2 3.28Å; F104-H106 PolarHBondContact O-N 2.89Å; H106-Y126 CarbonylContact O-C 3.59Å; H106-Y126 WeakPolarHBondContact O-CA 3.21Å; H106-V127 PolarHBondContact ND1-O 2.63Å; H106-V127 PolarHBondContact O-N 3.45Å; H106-G128 PolarHBondContact CE1-O 2.94Å; H106-G128 VanDerWaalsContact CE1-O 3.23Å; H106-G128 PolarHBondContact ND1-O 2.99Å; H106-Y140 AromaticContact CD2-CE1 3.98Å; H106-Y140 AromaticContact CE1-CE1 3.57Å; H106-Y140 AromaticContact NE2-CD1 3.98Å; H106-Y140 AromaticContact NE2-CE1 3.42Å; H106-Y140 WeakPolarHBondContact NE2-CE1 3.47Å; H106-R164 PolarHBondContact O-NH1 3.15Å
107	W	97.7	Very high	96	Very high	20 Å²	20	39.9 Å²	39.9	8%	0.076	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.6	139.2	-178.1	-162.8	25.2	0	0	0	111.2	A70 L74 L86 L87 M88 V109 I117 Y126 F142	A70-W107 HydrophobicContact CB-CH2 4.28Å; L74-W107 HydrophobicContact CD1-CH2 3.41Å; L74-W107 VanDerWaalsContact CD1-CH2 3.41Å; L74-W107 HydrophobicContact CD1-CZ3 3.32Å; L86-W107 HydrophobicContact CD2-CD2 4.19Å; L86-W107 HydrophobicContact CD2-CE3 3.65Å; L86-W107 HydrophobicContact CD2-CH2 3.87Å; L86-W107 HydrophobicContact CD2-CZ2 4.38Å; L86-W107 HydrophobicContact CD2-CZ3 3.49Å; L86-W107 VanDerWaalsContact CD2-CZ3 3.49Å; L87-W107 CarbonylContact C-O 3.44Å; L87-W107 WeakPolarHBondContact CA-O 3.36Å; M88-W107 HydrophobicContact CB-CB 3.81Å; M88-W107 PolarHBondContact N-O 2.75Å; M88-W107 PolarHBondContact O-N 2.65Å; W107-V109 HydrophobicContact CD2-CG2 4.37Å; W107-V109 HydrophobicContact CZ2-CG2 4.02Å; W107-V109 VanDerWaalsContact NE1-CG2 3.32Å; W107-I117 HydrophobicContact CH2-CG2 3.94Å; W107-I117 HydrophobicContact CZ2-CG2 3.83Å; W107-Y126 HydrophobicContact CB-CD2 4.15Å; W107-Y126 VanDerWaalsContact CD1-N 3.28Å; W107-Y126 AromaticContact CD2-CD2 3.94Å; W107-Y126 HydrophobicContact CD2-CD2 3.94Å; W107-Y126 AromaticContact CE3-CD2 3.82Å; W107-Y126 HydrophobicContact CE3-CD2 3.82Å; W107-Y126 HydrophobicContact CG-CD2 4.1Å; W107-Y126 HydrophobicContact CZ3-CD2 4.43Å; W107-F142 HydrophobicContact CE3-CE1 4.14Å; W107-F142 HydrophobicContact CZ3-CE1 4.4Å
108	L	97.7	Very high	96.1	Very high	1 Å²	1	38 Å²	38	1%	0.005	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	120.3	173.1	175.7	61.7	0	0	0	110	T85 L86 L87 L105 V110 V123 A124 W167 F172	T85-L108 HydrophobicContact CG2-CD1 3.83Å; L86-L108 WeakPolarHBondContact O-CA 3.19Å; L87-L108 HydrophobicContact CD1-CD1 4.45Å; L87-L108 HydrophobicContact CD2-CD1 3.88Å; L87-L108 HydrophobicContact CG-CD1 3.71Å; L105-L108 HydrophobicContact CD1-CB 4.24Å; L105-L108 HydrophobicContact CD2-CB 4.21Å; L108-V110 HydrophobicContact CD1-CG1 4.04Å; L108-V110 HydrophobicContact CG-CG1 4.38Å; L108-V123 HydrophobicContact CB-CB 4.29Å; L108-V123 HydrophobicContact CD2-CB 3.72Å; L108-V123 HydrophobicContact CD2-CG1 3.71Å; L108-V123 HydrophobicContact CD2-CG2 4.28Å; L108-V123 HydrophobicContact CG-CB 3.79Å; L108-V123 HydrophobicContact CG-CG1 4.36Å; L108-V123 HydrophobicContact CG-CG2 4.21Å; L108-V123 PolarHBondContact O-N 2.99Å; L108-A124 HydrophobicContact CB-CB 3.95Å; L108-A124 PolarHBondContact N-O 2.81Å; L108-A124 PolarHBondContact O-N 3.13Å; L108-A124 VanDerWaalsContact O-N 3.12Å; L108-W167 HydrophobicContact CD2-CH2 3.9Å; L108-W167 HydrophobicContact CD2-CZ2 3.99Å; L108-F172 HydrophobicContact CD1-CE1 4.2Å; L108-F172 HydrophobicContact CD1-CZ 3.99Å; L108-F172 HydrophobicContact CD2-CE2 3.99Å; L108-F172 HydrophobicContact CD2-CZ 4.21Å
109	V	97.8	Very high	96.3	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	124.7	173.6	-172	0	0	0	0	108.2	T85 L86 W107 I112 I117 D121 T122	T85-V109 CarbonylContact C-O 3.56Å; T85-V109 WeakPolarHBondContact CA-O 3.38Å; L86-V109 PolarHBondContact N-O 2.86Å; L86-V109 PolarHBondContact O-N 2.94Å; W107-V109 HydrophobicContact CD2-CG2 4.37Å; W107-V109 HydrophobicContact CZ2-CG2 4.02Å; W107-V109 VanDerWaalsContact NE1-CG2 3.32Å; V109-I112 HydrophobicContact CB-CD1 4.05Å; V109-I112 HydrophobicContact CB-CG1 4.32Å; V109-I112 HydrophobicContact CG1-CD1 4Å; V109-I112 HydrophobicContact CG1-CG1 3.71Å; V109-I117 HydrophobicContact CG1-CG2 4.48Å; V109-I117 HydrophobicContact CG2-CG2 4.4Å; V109-D121 WeakPolarHBondContact CA-O 3.46Å; V109-T122 HydrophobicContact CG2-CG2 4.34Å
110	V	98.3	Very high	96.5	Very high	2 Å²	2	35.8 Å²	35.8	1%	0.012	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	170	178.6	-57.7	0	0	0	0	110.2	Y84 T85 L108 I112 G120 D121 V123 L151 P153 F172	Y84-V110 CarbonylContact O-C 3.5Å; T85-V110 HydrophobicContact CG2-CG1 3.89Å; L108-V110 HydrophobicContact CD1-CG1 4.04Å; L108-V110 HydrophobicContact CG-CG1 4.38Å; V110-I112 PolarHBondContact O-N 2.8Å; V110-I112 VanDerWaalsContact O-N 3.14Å; V110-G120 CarbonylContact O-C 3.55Å; V110-G120 WeakPolarHBondContact O-CA 3.35Å; V110-D121 HydrophobicContact CG2-CB 3.93Å; V110-D121 PolarHBondContact N-O 2.97Å; V110-D121 PolarHBondContact O-N 2.99Å; V110-V123 HydrophobicContact CB-CG2 4.48Å; V110-V123 HydrophobicContact CG1-CG2 4.01Å; V110-V123 HydrophobicContact CG2-CG2 3.75Å; V110-L151 HydrophobicContact CB-CB 4.47Å; V110-L151 HydrophobicContact CB-CD1 4.21Å; V110-L151 HydrophobicContact CG1-CD1 4.01Å; V110-L151 HydrophobicContact CG2-CB 4.46Å; V110-P153 HydrophobicContact CG2-CG 3.99Å; V110-F172 HydrophobicContact CG1-CZ 4.13Å
111	N	98.4	Very high	96.7	Very high	1 Å²	1	34.1 Å²	34.1	1%	0.005	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	55.4	32.7	174.9	-57.5	-38.8	0	0	0	114.8	L83 Y84 P113 D121 Q147 R150 L151	L83-N111 HydrophobicContact CD1-CB 4.47Å; Y84-N111 PolarHBondContact O-N 2.87Å; Y84-N111 VanDerWaalsContact O-N 3.16Å; N111-P113 VanDerWaalsContact O-CD 3.27Å; N111-P113 WeakPolarHBondContact O-CD 3.32Å; N111-D121 WeakPolarHBondContact CB-OD2 3.31Å; N111-D121 PolarHBondContact ND2-OD2 3.42Å; N111-Q147 PolarHBondContact OD1-NE2 2.91Å; N111-R150 PolarHBondContact ND2-NH1 3.26Å; N111-L151 PolarHBondContact ND2-O 3.01Å; N111-L151 PolarHBondContact OD1-N 2.81Å
112	I	98.5	Very high	97	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.2	117.3	176.5	-62.9	155.2	0	0	0	108.4	W76 L83 Y84 L86 V109 V110 M114 I117	W76-I112 HydrophobicContact CH2-CG2 4.18Å; W76-I112 HydrophobicContact CZ2-CG2 4.49Å; L83-I112 CarbonylContact C-O 3.52Å; L83-I112 WeakPolarHBondContact CA-O 3.34Å; Y84-I112 PolarHBondContact N-O 2.86Å; Y84-I112 WeakPolarHBondContact O-CB 3.16Å; Y84-I112 PolarHBondContact O-N 2.92Å; L86-I112 HydrophobicContact CB-CD1 3.65Å; V109-I112 HydrophobicContact CB-CD1 4.05Å; V109-I112 HydrophobicContact CB-CG1 4.32Å; V109-I112 HydrophobicContact CG1-CD1 4Å; V109-I112 HydrophobicContact CG1-CG1 3.71Å; V110-I112 PolarHBondContact O-N 2.8Å; V110-I112 VanDerWaalsContact O-N 3.14Å; I112-M114 PolarHBondContact O-N 3.14Å; I112-I117 HydrophobicContact CD1-CD1 3.5Å; I112-I117 HydrophobicContact CG1-CD1 4.14Å; I112-I117 HydrophobicContact CG2-CD1 4.01Å
113	P	98	Very high	97	Very high	43 Å²	43	33.5 Å²	33.5	28%	0.279	20%	0.195	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	122	173.8	29.1	-30.3	0	0	0	109.9	L83 N111 N115 H116	L83-P113 HydrophobicContact CD2-CB 4.36Å; N111-P113 VanDerWaalsContact O-CD 3.27Å; N111-P113 WeakPolarHBondContact O-CD 3.32Å; P113-N115 PolarHBondContact O-N 2.78Å; P113-N115 VanDerWaalsContact O-N 3.09Å; P113-H116 HydrophobicContact CG-CB 4.34Å; P113-H116 WeakPolarHBondContact O-CB 3.41Å; P113-H116 PolarHBondContact O-CD2 2.88Å; P113-H116 PolarHBondContact O-N 3.38Å
114	M	97.3	Very high	96.9	Very high	64 Å²	64	33.4 Å²	33.4	32%	0.315	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	53.3	-112.1	-173.4	-56.9	-175.3	-62.2	0	0	111.1	W76 A78 M80 Q82 Y84 I112 H116	W76-M114 WeakPolarHBondContact CZ2-O 3.37Å; A78-M114 HydrophobicContact CB-CB 4.02Å; M80-M114 HydrophobicContact CG-SD 4.44Å; Q82-M114 PolarHBondContact O-N 3.16Å; Y84-M114 WeakPolarHBondContact CD2-O 3.22Å; I112-M114 PolarHBondContact O-N 3.14Å; M114-H116 WeakPolarHBondContact CE-NE2 3.35Å
115	N	95.9	Very high	96.8	Very high	46 Å²	46	37.8 Å²	37.8	25%	0.246	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	-120.8	18.3	175.4	59.1	13.5	0	0	0	112.6	T75 W76 A78 P113 I117	T75-N115 PolarHBondContact OG1-ND2 3.4Å; W76-N115 HydrophobicContact CD2-CB 4.1Å; W76-N115 HydrophobicContact CE3-CB 4.01Å; W76-N115 HydrophobicContact CH2-CB 3.91Å; W76-N115 HydrophobicContact CZ2-CB 3.97Å; W76-N115 HydrophobicContact CZ3-CB 3.91Å; W76-N115 PolarHBondContact O-ND2 2.92Å; A78-N115 HydrophobicContact CB-CB 4.27Å; P113-N115 PolarHBondContact O-N 2.78Å; P113-N115 VanDerWaalsContact O-N 3.09Å; N115-I117 VanDerWaalsContact C-N 3.35Å; N115-I117 PolarHBondContact O-N 2.91Å
116	H	96.9	Very high	96.8	Very high	89 Å²	89	39.5 Å²	39.5	41%	0.412	22%	0.222	S	C	.	.			trans	-83.4	76.4	179.9	-59.2	-55.9	0	0	0	111	P113 M114 S118 S119	P113-H116 HydrophobicContact CG-CB 4.34Å; P113-H116 WeakPolarHBondContact O-CB 3.41Å; P113-H116 PolarHBondContact O-CD2 2.88Å; P113-H116 PolarHBondContact O-N 3.38Å; M114-H116 WeakPolarHBondContact CE-NE2 3.35Å; H116-S118 PolarHBondContact O-N 3.16Å; H116-S118 VanDerWaalsContact O-N 3.13Å; H116-S119 WeakPolarHBondContact O-CB 3.3Å; H116-S119 PolarHBondContact O-N 2.71Å
117	I	96.4	Very high	96.6	Very high	26 Å²	26	41.7 Å²	41.7	13%	0.133	24%	0.236	C	C	.	.	G	3₁₀ helix	trans	-50.1	-41.4	-175.7	-57.2	-60.7	0	0	0	112.5	L74 W76 L86 W107 V109 I112 N115 S119 G120	L74-I117 HydrophobicContact CB-CG1 4.08Å; L74-I117 HydrophobicContact CD1-CG1 4.19Å; W76-I117 HydrophobicContact CH2-CD1 3.68Å; W76-I117 HydrophobicContact CZ3-CD1 3.86Å; L86-I117 HydrophobicContact CD2-CD1 3.95Å; W107-I117 HydrophobicContact CH2-CG2 3.94Å; W107-I117 HydrophobicContact CZ2-CG2 3.83Å; V109-I117 HydrophobicContact CG1-CG2 4.48Å; V109-I117 HydrophobicContact CG2-CG2 4.4Å; I112-I117 HydrophobicContact CD1-CD1 3.5Å; I112-I117 HydrophobicContact CG1-CD1 4.14Å; I112-I117 HydrophobicContact CG2-CD1 4.01Å; N115-I117 VanDerWaalsContact C-N 3.35Å; N115-I117 PolarHBondContact O-N 2.91Å; I117-S119 PolarHBondContact O-N 3.14Å; I117-S119 VanDerWaalsContact O-N 3.13Å; I117-G120 PolarHBondContact O-N 2.8Å
118	S	96	Very high	96.3	Very high	117 Å²	117	41.1 Å²	41.1	82%	0.818	24%	0.236	S	C	*	.	G	3₁₀ helix	trans	-64.7	-14.5	-179.9	57.4	0	0	0	0	114.7	H116	H116-S118 PolarHBondContact O-N 3.16Å; H116-S118 VanDerWaalsContact O-N 3.13Å
119	S	96.7	Very high	96.1	Very high	75 Å²	75	41 Å²	41	52%	0.524	24%	0.236	S	C	.	.	G	3₁₀ helix	trans	-100.3	3.3	176.2	-55.8	0	0	0	0	113.1	H116 I117	H116-S119 WeakPolarHBondContact O-CB 3.3Å; H116-S119 PolarHBondContact O-N 2.71Å; I117-S119 PolarHBondContact O-N 3.14Å; I117-S119 VanDerWaalsContact O-N 3.13Å
120	G	97.4	Very high	95.5	Very high	13 Å²	13	42.7 Å²	42.7	13%	0.134	25%	0.253	C	S	.	.	S	Bend	trans	-87.3	168.9	172.4	0	0	0	0	0	112.8	V110 I117	V110-G120 CarbonylContact O-C 3.55Å; V110-G120 WeakPolarHBondContact O-CA 3.35Å; I117-G120 PolarHBondContact O-N 2.8Å
121	D	96.5	Very high	94.8	Very high	68 Å²	68	42.8 Å²	42.8	36%	0.364	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	108	176.1	-58	-45.3	0	0	0	108.8	V109 V110 N111 V123 R150 P153	V109-D121 WeakPolarHBondContact CA-O 3.46Å; V110-D121 HydrophobicContact CG2-CB 3.93Å; V110-D121 PolarHBondContact N-O 2.97Å; V110-D121 PolarHBondContact O-N 2.99Å; N111-D121 WeakPolarHBondContact CB-OD2 3.31Å; N111-D121 PolarHBondContact ND2-OD2 3.42Å; D121-V123 PolarHBondContact O-N 3.34Å; D121-R150 IonicContact OD2-NH1 3.62Å; D121-R150 PolarHBondContact OD2-NH1 3.27Å; D121-P153 HydrophobicContact CB-CG 4.46Å
122	T	95.3	Very high	94.2	Very high	62 Å²	62	45.9 Å²	45.9	38%	0.38	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	114.6	178	-60.9	0	0	0	0	109.9	V109 Q125	V109-T122 HydrophobicContact CG2-CG2 4.34Å; T122-Q125 HydrophobicContact CG2-CG 4.34Å
123	V	95.5	Very high	93.5	Very high	30 Å²	30	51.7 Å²	51.7	18%	0.182	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	-43.3	-178.6	-177.4	0	0	0	0	110.8	L108 V110 D121 P153 F159	L108-V123 HydrophobicContact CB-CB 4.29Å; L108-V123 HydrophobicContact CD2-CB 3.72Å; L108-V123 HydrophobicContact CD2-CG1 3.71Å; L108-V123 HydrophobicContact CD2-CG2 4.28Å; L108-V123 HydrophobicContact CG-CB 3.79Å; L108-V123 HydrophobicContact CG-CG1 4.36Å; L108-V123 HydrophobicContact CG-CG2 4.21Å; L108-V123 PolarHBondContact O-N 2.99Å; V110-V123 HydrophobicContact CB-CG2 4.48Å; V110-V123 HydrophobicContact CG1-CG2 4.01Å; V110-V123 HydrophobicContact CG2-CG2 3.75Å; D121-V123 PolarHBondContact O-N 3.34Å; V123-P153 HydrophobicContact CG1-CB 4.24Å; V123-P153 HydrophobicContact CG2-CB 3.58Å; V123-P153 HydrophobicContact CG2-CG 3.9Å; V123-F159 HydrophobicContact CG1-CD2 4.38Å; V123-F159 HydrophobicContact CG1-CE2 3.49Å; V123-F159 VanDerWaalsContact CG1-CE2 3.49Å; V123-F159 HydrophobicContact CG1-CZ 3.89Å; V123-F159 WeakPolarHBondContact O-CD2 3.33Å
124	A	94.8	Very high	92.8	Very high	1 Å²	1	53.5 Å²	53.5	1%	0.008	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	120.9	172.7	0	0	0	0	0	108.5	L105 L108 F159	L105-A124 HydrophobicContact CD2-CB 3.7Å; L105-A124 HydrophobicContact CG-CB 4.31Å; L108-A124 HydrophobicContact CB-CB 3.95Å; L108-A124 PolarHBondContact N-O 2.81Å; L108-A124 PolarHBondContact O-N 3.13Å; L108-A124 VanDerWaalsContact O-N 3.12Å; A124-F159 HydrophobicContact CB-CB 3.96Å; A124-F159 HydrophobicContact CB-CD1 3.92Å; A124-F159 HydrophobicContact CB-CD2 4.07Å; A124-F159 HydrophobicContact CB-CE1 4.42Å; A124-F159 HydrophobicContact CB-CG 3.7Å
125	Q	94.7	Very high	92.3	Very high	127 Å²	127	51.6 Å²	51.6	59%	0.593	32%	0.32	S	S	*	.			trans	-62	151	179.2	-68.1	-65.6	-11.8	0	0	111.9	T122 V127 R164	T122-Q125 HydrophobicContact CG2-CG 4.34Å; Q125-V127 PolarHBondContact O-N 2.77Å; Q125-R164 PolarHBondContact O-NH1 3.16Å; Q125-R164 VanDerWaalsContact O-NH1 3.1Å; Q125-R164 PolarHBondContact O-NH2 3.26Å
126	Y	95.9	Very high	91.8	Very high	35 Å²	35	51.5 Å²	51.5	14%	0.137	33%	0.33	C	S	.	.			trans	-59.6	132.3	177.2	179.6	-89.4	0	0	0	110.9	F50 V67 H69 A70 M88 H106 W107	F50-Y126 WeakPolarHBondContact CE1-OH 3.39Å; V67-Y126 PolarHBondContact O-OH 3.03Å; H69-Y126 PolarHBondContact O-OH 3.1Å; A70-Y126 HydrophobicContact CB-CD1 4Å; A70-Y126 HydrophobicContact CB-CD2 3.85Å; A70-Y126 HydrophobicContact CB-CE1 4.48Å; A70-Y126 HydrophobicContact CB-CE2 4.34Å; A70-Y126 HydrophobicContact CB-CG 3.67Å; M88-Y126 HydrophobicContact CE-CE2 4.24Å; M88-Y126 HydrophobicContact SD-CD2 4.13Å; M88-Y126 HydrophobicContact SD-CE2 3.52Å; M88-Y126 VanDerWaalsContact SD-CE2 3.52Å; H106-Y126 CarbonylContact O-C 3.59Å; H106-Y126 WeakPolarHBondContact O-CA 3.21Å; W107-Y126 HydrophobicContact CB-CD2 4.15Å; W107-Y126 VanDerWaalsContact CD1-N 3.28Å; W107-Y126 AromaticContact CD2-CD2 3.94Å; W107-Y126 HydrophobicContact CD2-CD2 3.94Å; W107-Y126 AromaticContact CE3-CD2 3.82Å; W107-Y126 HydrophobicContact CE3-CD2 3.82Å; W107-Y126 HydrophobicContact CG-CD2 4.1Å; W107-Y126 HydrophobicContact CZ3-CD2 4.43Å
127	V	93.2	Very high	91.5	Very high	55 Å²	55	50.1 Å²	50.1	33%	0.333	33%	0.325	S	S	.	.			trans	-123.2	130	169.1	179.8	0	0	0	0	107.3	H106 Q125	H106-V127 PolarHBondContact ND1-O 2.63Å; H106-V127 PolarHBondContact O-N 3.45Å; Q125-V127 PolarHBondContact O-N 2.77Å
128	G	92	Very high	91.4	Very high	8 Å²	8	48.9 Å²	48.9	8%	0.082	32%	0.318	C	S	.	.			trans	-65.1	169.4	-179.8	0	0	0	0	0	113.9	V67 H106	V67-G128 WeakPolarHBondContact O-CA 3.33Å; H106-G128 PolarHBondContact CE1-O 2.94Å; H106-G128 VanDerWaalsContact CE1-O 3.23Å; H106-G128 PolarHBondContact ND1-O 2.99Å
129	S	91.8	Very high	91.5	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	28%	0.28	C	S	.	.			trans	-91.2	106.2	-176.3	-60.3	0	0	0	0	113	Y140 F187 Y209	S129-Y140 VanDerWaalsContact CB-CE1 3.49Å; S129-Y140 VanDerWaalsContact CB-CE2 3.47Å; S129-Y140 WeakPolarHBondContact OG-CD1 3.04Å; S129-Y140 WeakPolarHBondContact OG-CD2 3.43Å; S129-Y140 VanDerWaalsContact OG-CE1 3.24Å; S129-Y140 WeakPolarHBondContact OG-CE1 3.35Å; S129-F187 WeakPolarHBondContact OG-CZ 3.49Å; S129-Y209 PolarHBondContact N-OH 3.13Å; S129-Y209 PolarHBondContact O-OH 2.89Å
130	G	85.4	Confident	91.5	Very high	34 Å²	34	39.9 Å²	39.9	35%	0.351	26%	0.255	S	S	.	.			trans	-134.2	77.2	-177.9	0	0	0	0	0	112.7	Y209	G130-Y209 PolarHBondContact N-OH 3.38Å
131	P	85.4	Confident	91.6	Very high	5 Å²	5	39.2 Å²	39.2	3%	0.032	25%	0.249	C	C	.	.	P	Polyproline II helix	trans	-64	146.2	179.1	29.2	-35.3	0	0	0	110.6	H138 Y140 V189 Y191	P131-H138 HydrophobicContact CB-CB 4.06Å; P131-H138 VanDerWaalsContact CB-CD2 3.47Å; P131-H138 WeakPolarHBondContact CB-CD2 3.16Å; P131-Y140 WeakPolarHBondContact CD-OH 3.42Å; P131-V189 HydrophobicContact CG-CB 4.4Å; P131-V189 HydrophobicContact CG-CG1 4.18Å; P131-Y191 WeakPolarHBondContact O-CD2 3.35Å
132	P	85.6	Confident	91.7	Very high	65 Å²	65	36 Å²	36	42%	0.422	23%	0.231	S	C	.	.	P	Polyproline II helix	trans	-64.5	157.2	179.9	-16.4	28.5	0	0	0	112.7	G134 T135	P132-G134 PolarHBondContact O-N 3Å; P132-T135 HydrophobicContact CB-CG2 3.72Å; P132-T135 HydrophobicContact CG-CG2 4.02Å; P132-T135 WeakPolarHBondContact O-CB 3.35Å; P132-T135 WeakPolarHBondContact O-CG2 3.3Å; P132-T135 PolarHBondContact O-N 3.31Å; P132-T135 PolarHBondContact O-OG1 2.81Å
133	Q	83.2	Confident	91.9	Very high	122 Å²	122	33 Å²	33	57%	0.57	21%	0.213	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58	136.9	176.1	-172.1	-168.7	-4.3	0	0	111.3	T135 Y191 Y193	Q133-T135 VanDerWaalsContact C-N 3.29Å; Q133-T135 PolarHBondContact O-N 3.07Å; Q133-Y191 HydrophobicContact CB-CD1 4.25Å; Q133-Y191 HydrophobicContact CB-CD2 3.85Å; Q133-Y191 HydrophobicContact CB-CE1 4.35Å; Q133-Y191 HydrophobicContact CB-CE2 3.88Å; Q133-Y191 HydrophobicContact CB-CG 4.02Å; Q133-Y191 HydrophobicContact CG-CD1 4.09Å; Q133-Y191 HydrophobicContact CG-CE1 4.2Å; Q133-Y191 HydrophobicContact CG-CG 4.3Å; Q133-Y193 HydrophobicContact CG-CE2 4.26Å; Q133-Y193 PolarHBondContact NE2-OH 3.34Å; Q133-Y193 PolarHBondContact OE1-OH 2.73Å
134	G	82.4	Confident	92	Very high	81 Å²	81	31.6 Å²	31.6	84%	0.835	20%	0.204	S	C	*	.	T	Hydrogen-bonded Turn	trans	77.7	9.3	174.5	0	0	0	0	0	115	P132	P132-G134 PolarHBondContact O-N 3Å
135	T	86.6	Confident	92.2	Very high	25 Å²	25	31.8 Å²	31.8	15%	0.153	21%	0.205	C	C	.	.	S	Bend	trans	-97.7	-2.3	-178.2	62.4	0	0	0	0	114	P94 P132 Q133 H138	P94-T135 WeakPolarHBondContact O-CB 3.42Å; P94-T135 WeakPolarHBondContact O-CG2 3.28Å; P132-T135 HydrophobicContact CB-CG2 3.72Å; P132-T135 HydrophobicContact CG-CG2 4.02Å; P132-T135 WeakPolarHBondContact O-CB 3.35Å; P132-T135 WeakPolarHBondContact O-CG2 3.3Å; P132-T135 PolarHBondContact O-N 3.31Å; P132-T135 PolarHBondContact O-OG1 2.81Å; Q133-T135 VanDerWaalsContact C-N 3.29Å; Q133-T135 PolarHBondContact O-N 3.07Å; T135-H138 PolarHBondContact OG1-NE2 3.18Å; T135-H138 VanDerWaalsContact OG1-NE2 3.15Å
136	G	87.1	Confident	92.4	Very high	44 Å²	44	27.9 Å²	27.9	45%	0.454	19%	0.188	S	C	.	.			trans	80.7	-150.5	178.3	0	0	0	0	0	113.3
137	L	89.3	Confident	92.5	Very high	59 Å²	59	26.3 Å²	26.3	31%	0.309	18%	0.182	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	129.4	175.4	-76	161.8	0	0	0	109.8	I61 Q188 V189 F190	I61-L137 HydrophobicContact CD1-CD1 4.28Å; I61-L137 HydrophobicContact CD1-CD2 4.19Å; I61-L137 HydrophobicContact CG1-CD2 4.19Å; I61-L137 HydrophobicContact CG2-CD2 4.3Å; L137-Q188 HydrophobicContact CD2-CB 3.93Å; L137-V189 WeakPolarHBondContact CA-O 3.47Å; L137-F190 HydrophobicContact CD2-CB 3.72Å; L137-F190 HydrophobicContact CD2-CD1 4.02Å; L137-F190 HydrophobicContact CD2-CG 4.28Å; L137-F190 HydrophobicContact CG-CB 4.2Å
138	H	95.2	Very high	92.6	Very high	1 Å²	1	31.6 Å²	31.6	1%	0.005	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	140.4	168.8	-76.9	-138.6	0	0	0	109.9	D90 D92 P94 P131 T135 Y140 Q188 V189	D90-H138 IonicContact OD1-CG 2.84Å; D90-H138 IonicContact OD1-ND1 3.78Å; D90-H138 PolarHBondContact OD1-ND1 2.88Å; D90-H138 IonicContact OD2-CE1 2.71Å; D90-H138 IonicContact OD2-CG 3.83Å; D90-H138 IonicContact OD2-ND1 3.8Å; D90-H138 PolarHBondContact OD2-ND1 2.79Å; D92-H138 HydrophobicContact CB-CB 4.12Å; D92-H138 PolarHBondContact O-CE1 3.43Å; P94-H138 PolarHBondContact O-CE1 3.18Å; P94-H138 PolarHBondContact O-NE2 3.1Å; P94-H138 VanDerWaalsContact O-NE2 3.16Å; P131-H138 HydrophobicContact CB-CB 4.06Å; P131-H138 VanDerWaalsContact CB-CD2 3.47Å; P131-H138 WeakPolarHBondContact CB-CD2 3.16Å; T135-H138 PolarHBondContact OG1-NE2 3.18Å; T135-H138 VanDerWaalsContact OG1-NE2 3.15Å; H138-Y140 HydrophobicContact CB-CE2 3.67Å; H138-Q188 CarbonylContact O-C 3.52Å; H138-Q188 WeakPolarHBondContact O-CA 3.48Å; H138-V189 PolarHBondContact N-O 2.85Å; H138-V189 PolarHBondContact O-N 3.07Å
139	R	97.4	Very high	92.8	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86	136.8	172.2	-63.1	167.1	-66.2	165.9	6.8	109.1	Y31 G32 D36 D90 P91 D92 V141 F187 Q188	Y31-R139 VanDerWaalsContact O-CD 3.24Å; Y31-R139 WeakPolarHBondContact O-CD 3.48Å; Y31-R139 PolarHBondContact O-NH1 3.39Å; G32-R139 PolarHBondContact O-NH1 3.33Å; D36-R139 IonicContact OD2-CZ 2.77Å; D36-R139 IonicContact OD2-NH1 3.93Å; D36-R139 PolarHBondContact OD2-NH1 3.39Å; D36-R139 IonicContact OD2-NH2 3.53Å; D36-R139 PolarHBondContact OD2-NH2 2.88Å; D90-R139 WeakPolarHBondContact CA-O 3.06Å; P91-R139 VanDerWaalsContact CD-O 3.28Å; P91-R139 WeakPolarHBondContact CD-O 3.27Å; P91-R139 HydrophobicContact CG-CB 4.24Å; D92-R139 IonicContact OD1-CZ 3.6Å; D92-R139 IonicContact OD1-NE 2.8Å; D92-R139 PolarHBondContact OD1-NE 2.77Å; D92-R139 IonicContact OD1-NH2 3.34Å; D92-R139 PolarHBondContact OD1-NH2 3.47Å; D92-R139 WeakPolarHBondContact OD2-CB 3.18Å; D92-R139 WeakPolarHBondContact OD2-CG 3.08Å; D92-R139 IonicContact OD2-CZ 3.93Å; D92-R139 PolarHBondContact OD2-N 3.06Å; D92-R139 IonicContact OD2-NE 3.69Å; D92-R139 PolarHBondContact OD2-NE 2.77Å; D92-R139 IonicContact OD2-NH2 2.79Å; R139-V141 HydrophobicContact CB-CG2 4.38Å; R139-F187 WeakPolarHBondContact CA-O 3.47Å; R139-Q188 HydrophobicContact CG-CG 4.19Å
140	Y	98	Very high	93.1	Very high	2 Å²	2	40.4 Å²	40.4	1%	0.008	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	110.8	172.5	-66.2	-86.9	0	0	0	108.3	M88 D90 H106 S129 P131 H138 F186 F187 V189	M88-Y140 HydrophobicContact CE-CD1 3.92Å; M88-Y140 HydrophobicContact CE-CG 4.15Å; D90-Y140 HydrophobicContact CB-CD1 4.03Å; D90-Y140 HydrophobicContact CB-CE1 3.79Å; H106-Y140 AromaticContact CD2-CE1 3.98Å; H106-Y140 AromaticContact CE1-CE1 3.57Å; H106-Y140 AromaticContact NE2-CD1 3.98Å; H106-Y140 AromaticContact NE2-CE1 3.42Å; H106-Y140 WeakPolarHBondContact NE2-CE1 3.47Å; S129-Y140 VanDerWaalsContact CB-CE1 3.49Å; S129-Y140 VanDerWaalsContact CB-CE2 3.47Å; S129-Y140 WeakPolarHBondContact OG-CD1 3.04Å; S129-Y140 WeakPolarHBondContact OG-CD2 3.43Å; S129-Y140 VanDerWaalsContact OG-CE1 3.24Å; S129-Y140 WeakPolarHBondContact OG-CE1 3.35Å; P131-Y140 WeakPolarHBondContact CD-OH 3.42Å; H138-Y140 HydrophobicContact CB-CE2 3.67Å; Y140-F186 WeakPolarHBondContact O-CA 3.48Å; Y140-F186 VanDerWaalsContact O-CB 3.28Å; Y140-F186 WeakPolarHBondContact O-CB 3.34Å; Y140-F187 VanDerWaalsContact CB-CZ 3.45Å; Y140-F187 HydrophobicContact CD2-CD2 4.27Å; Y140-F187 AromaticContact CD2-CE2 3.79Å; Y140-F187 HydrophobicContact CD2-CE2 3.79Å; Y140-F187 HydrophobicContact CD2-CZ 4.17Å; Y140-F187 HydrophobicContact CG-CE1 4.43Å; Y140-F187 AromaticContact CG-CE2 3.98Å; Y140-F187 HydrophobicContact CG-CE2 3.98Å; Y140-F187 AromaticContact CG-CZ 3.87Å; Y140-F187 HydrophobicContact CG-CZ 3.87Å; Y140-F187 PolarHBondContact N-O 3.42Å; Y140-F187 PolarHBondContact O-N 2.89Å; Y140-F187 VanDerWaalsContact O-N 3.16Å; Y140-V189 HydrophobicContact CD2-CB 4.22Å; Y140-V189 HydrophobicContact CD2-CG2 3.86Å; Y140-V189 HydrophobicContact CE2-CB 3.69Å; Y140-V189 HydrophobicContact CE2-CG2 3.8Å
141	V	98.7	Very high	93.7	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	120.4	-166.2	-174.9	0	0	0	0	109.6	V33 V37 M88 T89 P91 R139 T143 F186	V33-V141 HydrophobicContact CG1-CB 4.5Å; V33-V141 HydrophobicContact CG1-CG1 3.67Å; V33-V141 HydrophobicContact CG1-CG2 4Å; V33-V141 HydrophobicContact CG2-CG2 4Å; V37-V141 HydrophobicContact CG1-CG1 4.36Å; V37-V141 HydrophobicContact CG2-CG2 4.27Å; M88-V141 VanDerWaalsContact CA-O 3.28Å; M88-V141 WeakPolarHBondContact CA-O 3.43Å; T89-V141 PolarHBondContact N-O 2.94Å; T89-V141 PolarHBondContact O-N 2.82Å; P91-V141 HydrophobicContact CG-CG2 4.47Å; R139-V141 HydrophobicContact CB-CG2 4.38Å; V141-T143 HydrophobicContact CG1-CG2 4.17Å; V141-F186 HydrophobicContact CB-CB 4.38Å; V141-F186 HydrophobicContact CG1-CB 4.49Å; V141-F186 HydrophobicContact CG2-CB 4.11Å
142	F	98.7	Very high	94.2	Very high	0 Å²	0	48 Å²	48	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	132.1	168.1	-69.7	-81.2	0	0	0	110.5	L46 V48 F50 P71 L86 L87 M88 W107 G184 N185 F187	L46-F142 HydrophobicContact CD2-CB 3.63Å; L46-F142 HydrophobicContact CD2-CG 4.22Å; V48-F142 HydrophobicContact CG1-CD2 4.27Å; V48-F142 HydrophobicContact CG1-CE2 3.71Å; V48-F142 HydrophobicContact CG1-CZ 4.11Å; V48-F142 HydrophobicContact CG2-CD2 3.95Å; V48-F142 HydrophobicContact CG2-CE2 4.24Å; V48-F142 HydrophobicContact CG2-CG 4.34Å; F50-F142 HydrophobicContact CZ-CE2 4.27Å; F50-F142 HydrophobicContact CZ-CZ 4.21Å; P71-F142 HydrophobicContact CG-CE1 4.45Å; P71-F142 HydrophobicContact CG-CZ 3.91Å; L86-F142 HydrophobicContact CD1-CD1 4.14Å; L87-F142 WeakPolarHBondContact O-CA 3.35Å; M88-F142 HydrophobicContact CB-CD1 3.8Å; M88-F142 HydrophobicContact CB-CE1 3.74Å; M88-F142 HydrophobicContact CE-CE2 4.46Å; M88-F142 HydrophobicContact CE-CZ 4.1Å; M88-F142 HydrophobicContact CG-CD1 3.94Å; M88-F142 HydrophobicContact CG-CE1 3.66Å; M88-F142 HydrophobicContact CG-CE2 4.45Å; M88-F142 HydrophobicContact CG-CG 4.45Å; M88-F142 HydrophobicContact CG-CZ 3.94Å; M88-F142 HydrophobicContact SD-CD1 4.44Å; M88-F142 HydrophobicContact SD-CE1 3.58Å; M88-F142 VanDerWaalsContact SD-CE1 3.58Å; M88-F142 HydrophobicContact SD-CE2 4.31Å; M88-F142 HydrophobicContact SD-CZ 3.49Å; M88-F142 WeakPolarHBondContact SD-CZ 3.49Å; W107-F142 HydrophobicContact CE3-CE1 4.14Å; W107-F142 HydrophobicContact CZ3-CE1 4.4Å; F142-G184 WeakPolarHBondContact O-CA 3.49Å; F142-N185 PolarHBondContact N-O 2.88Å; F142-N185 PolarHBondContact O-N 2.87Å; F142-N185 VanDerWaalsContact O-N 3.14Å; F142-F187 HydrophobicContact CD2-CE1 4.42Å; F142-F187 HydrophobicContact CE2-CD1 4.14Å; F142-F187 AromaticContact CE2-CE1 3.65Å; F142-F187 HydrophobicContact CE2-CE1 3.65Å; F142-F187 HydrophobicContact CZ-CE1 4.4Å
143	T	98.7	Very high	94.4	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	138.8	170.4	52.9	0	0	0	0	110.3	I38 L86 L87 V141 Y145	I38-T143 HydrophobicContact CG2-CG2 4.04Å; L86-T143 WeakPolarHBondContact CA-O 3.38Å; L87-T143 PolarHBondContact N-O 2.84Å; L87-T143 PolarHBondContact O-N 3.2Å; V141-T143 HydrophobicContact CG1-CG2 4.17Å; T143-Y145 WeakPolarHBondContact OG1-CE2 3.47Å
144	V	98.7	Very high	94.6	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	130.8	174.9	173.5	0	0	0	0	108.4	L46 W76 Y84 T85 L86 P181 E182 A183	L46-V144 HydrophobicContact CD1-CG2 4.05Å; L46-V144 HydrophobicContact CD2-CG2 3.99Å; W76-V144 HydrophobicContact CD2-CG1 4.12Å; W76-V144 HydrophobicContact CE3-CG2 4.3Å; W76-V144 HydrophobicContact CH2-CG1 4.17Å; W76-V144 HydrophobicContact CH2-CG2 4.43Å; W76-V144 HydrophobicContact CZ2-CG1 3.72Å; W76-V144 HydrophobicContact CZ3-CG2 4.23Å; Y84-V144 HydrophobicContact CD1-CG1 3.75Å; Y84-V144 HydrophobicContact CG-CG1 4.32Å; T85-V144 CarbonylContact O-C 3.52Å; T85-V144 WeakPolarHBondContact O-CA 3.28Å; L86-V144 HydrophobicContact CD1-CG2 3.55Å; V144-P181 CarbonylContact O-C 3.12Å; V144-E182 WeakPolarHBondContact O-CA 3.46Å; V144-E182 PolarHBondContact O-N 2.8Å; V144-A183 HydrophobicContact CB-CB 4.11Å; V144-A183 PolarHBondContact N-O 3.12Å; V144-A183 PolarHBondContact O-N 2.88Å; V144-A183 VanDerWaalsContact O-N 3.16Å
145	Y	98.7	Very high	94.4	Very high	5 Å²	5	48.4 Å²	48.4	2%	0.02	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	141.6	179.4	-65.2	-95	0	0	0	111.1	I38 Y84 T85 L87 T143 T169 A173 L178 G179 P181	I38-Y145 WeakPolarHBondContact CG2-OH 3.33Å; Y84-Y145 CarbonylContact C-O 3.4Å; Y84-Y145 WeakPolarHBondContact CA-O 3.3Å; Y84-Y145 WeakPolarHBondContact CD1-O 3.15Å; T85-Y145 PolarHBondContact N-O 3.31Å; T85-Y145 PolarHBondContact O-N 3.01Å; L87-Y145 HydrophobicContact CD1-CD2 3.84Å; L87-Y145 HydrophobicContact CD1-CE2 3.73Å; T143-Y145 WeakPolarHBondContact OG1-CE2 3.47Å; Y145-T169 HydrophobicContact CE2-CG2 4.22Å; Y145-T169 WeakPolarHBondContact OH-CG2 3.31Å; Y145-A173 HydrophobicContact CD1-CB 4.4Å; Y145-A173 HydrophobicContact CE1-CB 3.9Å; Y145-L178 HydrophobicContact CD1-CB 3.83Å; Y145-L178 HydrophobicContact CD2-CD1 4.34Å; Y145-L178 HydrophobicContact CG-CB 3.99Å; Y145-L178 HydrophobicContact CG-CD1 4.05Å; Y145-G179 WeakPolarHBondContact CE1-O 3.4Å; Y145-P181 HydrophobicContact CD1-CB 4.37Å; Y145-P181 HydrophobicContact CE1-CB 3.91Å; Y145-P181 HydrophobicContact CE1-CG 4.36Å
146	L	98.2	Very high	94	Very high	44 Å²	44	55.3 Å²	55.3	23%	0.23	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	125.8	169.3	176.2	63.9	0	0	0	109.5	Y79 Q82 Y84	Y79-L146 HydrophobicContact CD2-CD1 4.47Å; Y79-L146 HydrophobicContact CD2-CD2 4.18Å; Y79-L146 HydrophobicContact CE2-CD2 4.22Å; Q82-L146 HydrophobicContact CB-CD1 3.6Å; Q82-L146 HydrophobicContact CG-CD1 3.9Å; Y84-L146 HydrophobicContact CD1-CB 4.32Å; Y84-L146 HydrophobicContact CD1-CD1 4.37Å; Y84-L146 HydrophobicContact CE1-CB 3.96Å; Y84-L146 HydrophobicContact CE1-CD1 3.78Å; Y84-L146 HydrophobicContact CE1-CG 4.47Å; Y84-L146 HydrophobicContact CE2-CD1 4.21Å
147	Q	98.4	Very high	93.6	Very high	3 Å²	3	55.3 Å²	55.3	1%	0.014	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	136.2	177.5	-71.2	176.2	-152.5	0	0	111.5	L83 Y84 T85 N111 S149 L151 L178	L83-Q147 HydrophobicContact CB-CB 4.04Å; L83-Q147 WeakPolarHBondContact O-CB 3.26Å; L83-Q147 PolarHBondContact O-N 2.91Å; Y84-Q147 VanDerWaalsContact C-OE1 3.27Å; Y84-Q147 PolarHBondContact O-OE1 2.85Å; Y84-Q147 VanDerWaalsContact O-OE1 3.07Å; T85-Q147 PolarHBondContact OG1-OE1 2.93Å; N111-Q147 PolarHBondContact OD1-NE2 2.91Å; Q147-S149 WeakPolarHBondContact CB-O 3.49Å; Q147-S149 PolarHBondContact NE2-O 2.9Å; Q147-L151 HydrophobicContact CG-CG 4.48Å; Q147-L178 HydrophobicContact CB-CD2 4.47Å; Q147-L178 HydrophobicContact CG-CD2 3.8Å
148	K	96.5	Very high	92.8	Very high	165 Å²	165	57.1 Å²	57.1	72%	0.717	30%	0.303	S	S	*	.	S	Bend	trans	-77.9	-25.3	170.5	-64.5	175.5	-175.8	156.5	0	112.6	Y177	K148-Y177 WeakPolarHBondContact CD-O 3.25Å; K148-Y177 WeakPolarHBondContact CE-O 3.37Å; K148-Y177 PolarHBondContact NZ-O 3.44Å; K148-Y177 VanDerWaalsContact NZ-O 3.09Å
149	S	96.1	Very high	92.2	Very high	77 Å²	77	59.1 Å²	59.1	54%	0.538	31%	0.311	S	S	.	.	S	Bend	trans	-150.6	162.6	179.7	56.9	0	0	0	0	110.5	Q147 L151	Q147-S149 WeakPolarHBondContact CB-O 3.49Å; Q147-S149 PolarHBondContact NE2-O 2.9Å; S149-L151 PolarHBondContact O-N 2.96Å
150	R	97.8	Very high	91.7	Very high	116 Å²	116	62.8 Å²	62.8	44%	0.438	33%	0.331	S	S	.	.			trans	-60.7	135.5	170.2	177.5	166.3	-74.4	-83	0.1	109.8	L83 N111 D121 F152	L83-R150 HydrophobicContact CD1-CB 3.91Å; L83-R150 HydrophobicContact CD1-CG 4.42Å; N111-R150 PolarHBondContact ND2-NH1 3.26Å; D121-R150 IonicContact OD2-NH1 3.62Å; D121-R150 PolarHBondContact OD2-NH1 3.27Å; R150-F152 HydrophobicContact CB-CE2 4.47Å; R150-F152 HydrophobicContact CB-CZ 4.41Å; R150-F152 HydrophobicContact CG-CE1 4.27Å; R150-F152 HydrophobicContact CG-CE2 4.32Å; R150-F152 HydrophobicContact CG-CZ 4.03Å
151	L	97.4	Very high	90.9	Very high	18 Å²	18	70.6 Å²	70.6	9%	0.094	37%	0.365	C	S	.	.			trans	-91.1	152.4	172.2	-58.2	-175.2	0	0	0	109.5	V110 N111 Q147 S149 F172 N176	V110-L151 HydrophobicContact CB-CB 4.47Å; V110-L151 HydrophobicContact CB-CD1 4.21Å; V110-L151 HydrophobicContact CG1-CD1 4.01Å; V110-L151 HydrophobicContact CG2-CB 4.46Å; N111-L151 PolarHBondContact ND2-O 3.01Å; N111-L151 PolarHBondContact OD1-N 2.81Å; Q147-L151 HydrophobicContact CG-CG 4.48Å; S149-L151 PolarHBondContact O-N 2.96Å; L151-F172 HydrophobicContact CD1-CZ 4.43Å; L151-N176 HydrophobicContact CD1-CB 4.12Å; L151-N176 HydrophobicContact CD2-CB 3.99Å; L151-N176 WeakPolarHBondContact CD2-OD1 3.4Å
152	F	95.3	Very high	90.2	Very high	181 Å²	181	76.4 Å²	76.4	79%	0.794	39%	0.394	S	S	*	.			trans	-123.9	83.2	178.9	-63.6	-84.4	0	0	0	108.3	R150	R150-F152 HydrophobicContact CB-CE2 4.47Å; R150-F152 HydrophobicContact CB-CZ 4.41Å; R150-F152 HydrophobicContact CG-CE1 4.27Å; R150-F152 HydrophobicContact CG-CE2 4.32Å; R150-F152 HydrophobicContact CG-CZ 4.03Å
153	P	89.4	Confident	89.7	Confident	49 Å²	49	78.5 Å²	78.5	32%	0.318	41%	0.412	S	S	.	.			trans	-62.9	147.1	-179.4	27.4	-34.1	0	0	0	110.5	V110 D121 V123 P155	V110-P153 HydrophobicContact CG2-CG 3.99Å; D121-P153 HydrophobicContact CB-CG 4.46Å; V123-P153 HydrophobicContact CG1-CB 4.24Å; V123-P153 HydrophobicContact CG2-CB 3.58Å; V123-P153 HydrophobicContact CG2-CG 3.9Å; P153-P155 VanDerWaalsContact O-CD 3.3Å; P153-P155 WeakPolarHBondContact O-CD 3.47Å
154	N	88.1	Confident	89.5	Confident	99 Å²	99	79.3 Å²	79.3	53%	0.529	42%	0.415	S	S	.	.			trans	-66.8	117.1	174.9	179.4	4.1	0	0	0	109.4	E156 A157	N154-E156 PolarHBondContact O-N 2.95Å; N154-E156 WeakPolarHBondContact OD1-CB 3.33Å; N154-E156 PolarHBondContact OD1-N 3.23Å; N154-A157 HydrophobicContact CB-CB 4.31Å; N154-A157 VanDerWaalsContact O-CB 3.31Å; N154-A157 WeakPolarHBondContact O-CB 3.43Å; N154-A157 PolarHBondContact O-N 3.23Å; N154-A157 VanDerWaalsContact O-N 3.1Å
155	P	77.9	Confident	89.3	Confident	128 Å²	128	84.9 Å²	84.9	83%	0.831	44%	0.436	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.6	-19.5	179.9	27.5	-35.8	0	0	0	113.3	P153	P153-P155 VanDerWaalsContact O-CD 3.3Å; P153-P155 WeakPolarHBondContact O-CD 3.47Å
156	E	78	Confident	89.1	Confident	171 Å²	171	92.1 Å²	92.1	80%	0.799	47%	0.468	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.4	-3.6	178.1	-58.8	-176.7	169.7	0	0	113.2	N154 C158	N154-E156 PolarHBondContact O-N 2.95Å; N154-E156 WeakPolarHBondContact OD1-CB 3.33Å; N154-E156 PolarHBondContact OD1-N 3.23Å; E156-C158 PolarHBondContact O-N 3.09Å
157	A	79	Confident	89	Confident	43 Å²	43	92 Å²	92	36%	0.355	46%	0.464	S	S	.	.			trans	-64.9	112	179.9	0	0	0	0	0	110.8	N154 F159	N154-A157 HydrophobicContact CB-CB 4.31Å; N154-A157 VanDerWaalsContact O-CB 3.31Å; N154-A157 WeakPolarHBondContact O-CB 3.43Å; N154-A157 PolarHBondContact O-N 3.23Å; N154-A157 VanDerWaalsContact O-N 3.1Å; A157-F159 HydrophobicContact CB-CD2 4.29Å; A157-F159 HydrophobicContact CB-CE2 3.68Å
158	C	72.7	Confident	88.9	Confident	98 Å²	98	93.2 Å²	93.2	66%	0.662	47%	0.473	S	S	*	.			trans	-93	117.1	174.3	-174.2	0	0	0	0	110.2	E156 D160 A163	E156-C158 PolarHBondContact O-N 3.09Å; C158-D160 PolarHBondContact O-N 2.76Å; C158-A163 WeakPolarHBondContact O-CB 2.94Å
159	F	83.6	Confident	89	Confident	43 Å²	43	85.4 Å²	85.4	19%	0.189	44%	0.439	C	S	.	.			trans	-98.8	68.4	177.5	-74.8	-89.9	0	0	0	111.7	L105 V123 A124 A157 R164 W167	L105-F159 HydrophobicContact CD2-CD1 3.76Å; L105-F159 HydrophobicContact CD2-CE1 3.62Å; V123-F159 HydrophobicContact CG1-CD2 4.38Å; V123-F159 HydrophobicContact CG1-CE2 3.49Å; V123-F159 VanDerWaalsContact CG1-CE2 3.49Å; V123-F159 HydrophobicContact CG1-CZ 3.89Å; V123-F159 WeakPolarHBondContact O-CD2 3.33Å; A124-F159 HydrophobicContact CB-CB 3.96Å; A124-F159 HydrophobicContact CB-CD1 3.92Å; A124-F159 HydrophobicContact CB-CD2 4.07Å; A124-F159 HydrophobicContact CB-CE1 4.42Å; A124-F159 HydrophobicContact CB-CG 3.7Å; A157-F159 HydrophobicContact CB-CD2 4.29Å; A157-F159 HydrophobicContact CB-CE2 3.68Å; F159-R164 HydrophobicContact CB-CG 4.33Å; F159-R164 HydrophobicContact CD1-CG 4.42Å; F159-R164 PolarHBondContact O-NE 2.96Å; F159-W167 HydrophobicContact CE1-CE3 4.41Å; F159-W167 HydrophobicContact CE1-CH2 4.33Å; F159-W167 AromaticContact CE1-CZ3 3.73Å; F159-W167 HydrophobicContact CE1-CZ3 3.73Å; F159-W167 HydrophobicContact CZ-CZ3 4.25Å
160	D	85.5	Confident	89.1	Confident	77 Å²	77	84.8 Å²	84.8	41%	0.412	43%	0.425	S	S	.	.			trans	-73.3	-177.4	169.9	76.7	7.2	0	0	0	112.2	C158 I162 A163 R164	C158-D160 PolarHBondContact O-N 2.76Å; D160-I162 PolarHBondContact O-N 2.99Å; D160-I162 WeakPolarHBondContact OD1-CA 3.48Å; D160-I162 WeakPolarHBondContact OD1-CB 3.47Å; D160-I162 PolarHBondContact OD1-N 3.01Å; D160-A163 PolarHBondContact O-N 3.07Å; D160-A163 PolarHBondContact OD1-N 2.84Å; D160-R164 WeakPolarHBondContact O-CD 3.24Å; D160-R164 VanDerWaalsContact O-CG 3.24Å; D160-R164 WeakPolarHBondContact O-CG 3.43Å; D160-R164 PolarHBondContact O-N 3.19Å
161	K	80.7	Confident	89.1	Confident	165 Å²	165	83.3 Å²	83.3	72%	0.717	43%	0.426	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.1	-23	179.5	-70.2	-176.2	179	178.4	0	113.5	R165	K161-R165 WeakPolarHBondContact O-CG 3.41Å; K161-R165 PolarHBondContact O-NE 3.12Å
162	I	84.1	Confident	89	Confident	122 Å²	122	83.6 Å²	83.6	63%	0.626	43%	0.426	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.7	-48.7	-178.9	-61.2	175.9	0	0	0	109.2	D160 R164 R165	D160-I162 PolarHBondContact O-N 2.99Å; D160-I162 WeakPolarHBondContact OD1-CA 3.48Å; D160-I162 WeakPolarHBondContact OD1-CB 3.47Å; D160-I162 PolarHBondContact OD1-N 3.01Å; I162-R164 PolarHBondContact O-N 3.21Å; I162-R165 WeakPolarHBondContact O-CB 3.21Å; I162-R165 PolarHBondContact O-N 3.17Å
163	A	90.1	Very high	89.2	Confident	45 Å²	45	75.3 Å²	75.3	37%	0.372	39%	0.391	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.2	-23.6	179.9	0	0	0	0	0	113.5	C158 D160	C158-A163 WeakPolarHBondContact O-CB 2.94Å; D160-A163 PolarHBondContact O-N 3.07Å; D160-A163 PolarHBondContact OD1-N 2.84Å
164	R	93.3	Very high	89.5	Confident	17 Å²	17	80 Å²	80	6%	0.064	41%	0.409	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78	-18	175.8	-71.3	169.8	-177.7	-94.5	5.4	114.4	F104 L105 H106 Q125 F159 D160 I162	F104-R164 CarbonylContact C-O 3.53Å; F104-R164 WeakPolarHBondContact CA-O 3.47Å; F104-R164 HydrophobicContact CD1-CB 4.3Å; F104-R164 HydrophobicContact CD2-CB 4.18Å; F104-R164 HydrophobicContact CE1-CB 3.87Å; F104-R164 HydrophobicContact CE1-CG 4.5Å; F104-R164 HydrophobicContact CE2-CB 3.73Å; F104-R164 HydrophobicContact CG-CB 4.45Å; F104-R164 HydrophobicContact CZ-CB 3.57Å; F104-R164 HydrophobicContact CZ-CG 4.37Å; L105-R164 HydrophobicContact CB-CB 4.21Å; L105-R164 HydrophobicContact CB-CG 4.26Å; L105-R164 PolarHBondContact N-O 3.07Å; L105-R164 WeakPolarHBondContact O-CD 3.4Å; L105-R164 WeakPolarHBondContact O-CG 3.34Å; L105-R164 PolarHBondContact O-NH1 3.13Å; H106-R164 PolarHBondContact O-NH1 3.15Å; Q125-R164 PolarHBondContact O-NH1 3.16Å; Q125-R164 VanDerWaalsContact O-NH1 3.1Å; Q125-R164 PolarHBondContact O-NH2 3.26Å; F159-R164 HydrophobicContact CB-CG 4.33Å; F159-R164 HydrophobicContact CD1-CG 4.42Å; F159-R164 PolarHBondContact O-NE 2.96Å; D160-R164 WeakPolarHBondContact O-CD 3.24Å; D160-R164 VanDerWaalsContact O-CG 3.24Å; D160-R164 WeakPolarHBondContact O-CG 3.43Å; D160-R164 PolarHBondContact O-N 3.19Å; I162-R164 PolarHBondContact O-N 3.21Å
165	R	93.7	Very high	89.9	Confident	117 Å²	117	81.9 Å²	81.9	44%	0.442	42%	0.415	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.8	155.1	-179.2	-64.4	170.8	-176.6	-171.8	-1.7	110.6	N101 E103 F104 K161 I162 W167	N101-R165 HydrophobicContact CB-CB 4.24Å; N101-R165 HydrophobicContact CB-CG 4.22Å; E103-R165 CarbonylContact O-C 3.54Å; F104-R165 HydrophobicContact CD2-CG 3.81Å; F104-R165 HydrophobicContact CE2-CG 3.93Å; K161-R165 WeakPolarHBondContact O-CG 3.41Å; K161-R165 PolarHBondContact O-NE 3.12Å; I162-R165 WeakPolarHBondContact O-CB 3.21Å; I162-R165 PolarHBondContact O-N 3.17Å; R165-W167 PolarHBondContact O-N 2.88Å
166	K	94.9	Very high	90.8	Very high	156 Å²	156	77.9 Å²	77.9	68%	0.678	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.5	29	177.6	-56.8	-176.5	177.4	-176.8	0	112.7	N101 R102 E103	N101-K166 PolarHBondContact O-N 2.84Å; R102-K166 WeakPolarHBondContact O-CA 3.43Å; E103-K166 PolarHBondContact O-N 2.97Å
167	W	96.4	Very high	91.7	Very high	42 Å²	42	77.9 Å²	77.9	16%	0.159	38%	0.38	C	S	.	.			trans	-63	153.1	168.8	-171.6	-96.6	0	0	0	109.6	L87 E103 L105 L108 F159 R165 F172	L87-W167 HydrophobicContact CD2-CZ2 3.97Å; E103-W167 HydrophobicContact CB-CB 4.24Å; E103-W167 WeakPolarHBondContact CB-O 3.42Å; E103-W167 PolarHBondContact N-O 2.87Å; E103-W167 WeakPolarHBondContact O-CB 3.33Å; E103-W167 PolarHBondContact O-N 3.09Å; L105-W167 HydrophobicContact CB-CB 4.06Å; L105-W167 HydrophobicContact CB-CD2 4.08Å; L105-W167 HydrophobicContact CB-CE3 4.39Å; L105-W167 HydrophobicContact CB-CG 3.94Å; L105-W167 HydrophobicContact CD1-CD2 4.18Å; L105-W167 HydrophobicContact CD1-CG 4.27Å; L105-W167 HydrophobicContact CD1-CZ2 4.45Å; L105-W167 HydrophobicContact CD2-CD2 3.92Å; L105-W167 HydrophobicContact CD2-CE3 3.81Å; L105-W167 HydrophobicContact CD2-CH2 4.08Å; L105-W167 HydrophobicContact CD2-CZ2 4.18Å; L105-W167 HydrophobicContact CD2-CZ3 3.91Å; L105-W167 HydrophobicContact CG-CD2 4.28Å; L105-W167 HydrophobicContact CG-CG 4.5Å; L108-W167 HydrophobicContact CD2-CH2 3.9Å; L108-W167 HydrophobicContact CD2-CZ2 3.99Å; F159-W167 HydrophobicContact CE1-CE3 4.41Å; F159-W167 HydrophobicContact CE1-CH2 4.33Å; F159-W167 AromaticContact CE1-CZ3 3.73Å; F159-W167 HydrophobicContact CE1-CZ3 3.73Å; F159-W167 HydrophobicContact CZ-CZ3 4.25Å; R165-W167 PolarHBondContact O-N 2.88Å; W167-F172 AromaticContact CH2-CD2 3.68Å; W167-F172 HydrophobicContact CH2-CD2 3.68Å; W167-F172 HydrophobicContact CH2-CE2 4.19Å; W167-F172 HydrophobicContact CH2-CG 4.45Å; W167-F172 HydrophobicContact CZ2-CB 3.94Å; W167-F172 AromaticContact CZ2-CD2 3.44Å; W167-F172 HydrophobicContact CZ2-CD2 3.44Å; W167-F172 VanDerWaalsContact CZ2-CD2 3.44Å; W167-F172 HydrophobicContact CZ2-CE2 4.14Å; W167-F172 AromaticContact CZ2-CG 3.77Å; W167-F172 HydrophobicContact CZ2-CG 3.77Å
168	S	97.3	Very high	92.6	Very high	29 Å²	29	76.2 Å²	76.2	20%	0.203	37%	0.365	C	S	.	.			trans	-134.8	111.3	172.4	176	0	0	0	0	108.8	R170 N171 F172	S168-R170 PolarHBondContact O-N 3.23Å; S168-N171 PolarHBondContact O-N 3.33Å; S168-N171 VanDerWaalsContact OG-CG 3.28Å; S168-N171 PolarHBondContact OG-N 2.67Å; S168-N171 PolarHBondContact OG-OD1 3.36Å; S168-F172 PolarHBondContact O-N 3.4Å; S168-F172 VanDerWaalsContact O-N 3.09Å
169	T	98.1	Very high	93.7	Very high	0 Å²	0	74 Å²	74	0%	0	36%	0.358	C	S	.	.	H	α-helix	trans	-59.8	-37	175.6	-67.4	0	0	0	0	110.5	V37 I38 T89 E103 Y145 A173	V37-T169 HydrophobicContact CG1-CG2 4.22Å; I38-T169 HydrophobicContact CG2-CG2 4.24Å; T89-T169 WeakPolarHBondContact CG2-OG1 3.36Å; E103-T169 PolarHBondContact OE1-N 2.71Å; E103-T169 WeakPolarHBondContact OE2-CB 3.5Å; E103-T169 PolarHBondContact OE2-OG1 3.03Å; Y145-T169 HydrophobicContact CE2-CG2 4.22Å; Y145-T169 WeakPolarHBondContact OH-CG2 3.31Å; T169-A173 WeakPolarHBondContact O-CB 3.24Å; T169-A173 PolarHBondContact O-N 2.85Å
170	R	97.7	Very high	94.2	Very high	64 Å²	64	75 Å²	75	24%	0.242	36%	0.364	C	S	.	.	H	α-helix	trans	-62.1	-54.3	175.8	-66.3	-170	-172	77.6	12.7	112.8	P35 D36 V37 I38 D39 S168 F172 A173 E174	P35-R170 PolarHBondContact O-NH2 2.95Å; D36-R170 PolarHBondContact O-NH1 3.1Å; D36-R170 PolarHBondContact O-NH2 3.47Å; V37-R170 WeakPolarHBondContact O-CG 3.42Å; I38-R170 PolarHBondContact O-NH2 2.88Å; D39-R170 IonicContact OD1-CZ 3.4Å; D39-R170 IonicContact OD1-NE 3.89Å; D39-R170 PolarHBondContact OD1-NE 2.89Å; D39-R170 IonicContact OD1-NH2 3.38Å; D39-R170 PolarHBondContact OD1-NH2 3.48Å; D39-R170 IonicContact OD2-NE 3.28Å; S168-R170 PolarHBondContact O-N 3.23Å; R170-F172 VanDerWaalsContact C-N 3.26Å; R170-F172 PolarHBondContact O-N 3.3Å; R170-A173 PolarHBondContact O-N 2.76Å; R170-A173 VanDerWaalsContact O-N 3.08Å; R170-E174 WeakPolarHBondContact O-CB 3.43Å; R170-E174 PolarHBondContact O-N 3.21Å
171	N	97.1	Very high	94.8	Very high	85 Å²	85	71.6 Å²	71.6	46%	0.455	35%	0.346	S	S	.	.	H	α-helix	trans	-61.1	-42.9	-175.9	-64.3	8.8	0	0	0	109.6	S168 A173 E174 E175	S168-N171 PolarHBondContact O-N 3.33Å; S168-N171 VanDerWaalsContact OG-CG 3.28Å; S168-N171 PolarHBondContact OG-N 2.67Å; S168-N171 PolarHBondContact OG-OD1 3.36Å; N171-A173 PolarHBondContact O-N 2.87Å; N171-E174 PolarHBondContact O-N 3.1Å; N171-E175 VanDerWaalsContact O-CB 3.31Å; N171-E175 WeakPolarHBondContact O-CB 3.47Å; N171-E175 VanDerWaalsContact O-CG 3.23Å; N171-E175 WeakPolarHBondContact O-CG 3.36Å; N171-E175 PolarHBondContact O-N 3.15Å
172	F	96.9	Very high	95.6	Very high	25 Å²	25	64 Å²	64	11%	0.11	31%	0.313	C	S	.	.	H	α-helix	trans	-59.4	-44.8	175.5	-175.5	-87	0	0	0	112.1	T85 L87 L108 V110 L151 W167 S168 R170 N176 L178	T85-F172 HydrophobicContact CG2-CE1 3.91Å; L87-F172 HydrophobicContact CD1-CD1 4.21Å; L87-F172 HydrophobicContact CD1-CE1 4.47Å; L87-F172 HydrophobicContact CD2-CD1 4.22Å; L87-F172 HydrophobicContact CD2-CG 4.46Å; L108-F172 HydrophobicContact CD1-CE1 4.2Å; L108-F172 HydrophobicContact CD1-CZ 3.99Å; L108-F172 HydrophobicContact CD2-CE2 3.99Å; L108-F172 HydrophobicContact CD2-CZ 4.21Å; V110-F172 HydrophobicContact CG1-CZ 4.13Å; L151-F172 HydrophobicContact CD1-CZ 4.43Å; W167-F172 AromaticContact CH2-CD2 3.68Å; W167-F172 HydrophobicContact CH2-CD2 3.68Å; W167-F172 HydrophobicContact CH2-CE2 4.19Å; W167-F172 HydrophobicContact CH2-CG 4.45Å; W167-F172 HydrophobicContact CZ2-CB 3.94Å; W167-F172 AromaticContact CZ2-CD2 3.44Å; W167-F172 HydrophobicContact CZ2-CD2 3.44Å; W167-F172 VanDerWaalsContact CZ2-CD2 3.44Å; W167-F172 HydrophobicContact CZ2-CE2 4.14Å; W167-F172 AromaticContact CZ2-CG 3.77Å; W167-F172 HydrophobicContact CZ2-CG 3.77Å; S168-F172 PolarHBondContact O-N 3.4Å; S168-F172 VanDerWaalsContact O-N 3.09Å; R170-F172 VanDerWaalsContact C-N 3.26Å; R170-F172 PolarHBondContact O-N 3.3Å; F172-N176 WeakPolarHBondContact O-CB 3.5Å; F172-N176 PolarHBondContact O-N 3.41Å; F172-N176 PolarHBondContact O-ND2 3.13Å; F172-L178 HydrophobicContact CD1-CD1 4.05Å; F172-L178 HydrophobicContact CE1-CD1 3.82Å
173	A	97.6	Very high	96.3	Very high	7 Å²	7	58.2 Å²	58.2	6%	0.058	28%	0.283	C	S	.	.	H	α-helix	trans	-66.1	-37	178.4	0	0	0	0	0	113	Y145 T169 R170 N171 Y177 L178	Y145-A173 HydrophobicContact CD1-CB 4.4Å; Y145-A173 HydrophobicContact CE1-CB 3.9Å; T169-A173 WeakPolarHBondContact O-CB 3.24Å; T169-A173 PolarHBondContact O-N 2.85Å; R170-A173 PolarHBondContact O-N 2.76Å; R170-A173 VanDerWaalsContact O-N 3.08Å; N171-A173 PolarHBondContact O-N 2.87Å; A173-Y177 PolarHBondContact O-N 3.26Å; A173-L178 HydrophobicContact CB-CB 4.15Å; A173-L178 PolarHBondContact O-N 2.7Å
174	E	96.9	Very high	96.7	Very high	147 Å²	147	56 Å²	56	69%	0.687	27%	0.265	S	S	*	.	H	α-helix	trans	-68.9	-52.9	176.9	-175.6	171.5	-164	0	0	111.5	R170 N171 N176 Y177	R170-E174 WeakPolarHBondContact O-CB 3.43Å; R170-E174 PolarHBondContact O-N 3.21Å; N171-E174 PolarHBondContact O-N 3.1Å; E174-N176 PolarHBondContact O-N 3.21Å; E174-Y177 PolarHBondContact O-N 3.41Å
175	E	96.2	Very high	96.9	Very high	139 Å²	139	55.2 Å²	55.2	65%	0.65	26%	0.262	S	S	*	.	H	α-helix	trans	-57.9	-32	179.8	-72.9	172	-176.6	0	0	112.6	N171	N171-E175 VanDerWaalsContact O-CB 3.31Å; N171-E175 WeakPolarHBondContact O-CB 3.47Å; N171-E175 VanDerWaalsContact O-CG 3.23Å; N171-E175 WeakPolarHBondContact O-CG 3.36Å; N171-E175 PolarHBondContact O-N 3.15Å
176	N	96.8	Very high	97.1	Very high	44 Å²	44	49.7 Å²	49.7	24%	0.235	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.8	10.8	180	-65.8	-83.8	0	0	0	113.6	L151 F172 E174 L178	L151-N176 HydrophobicContact CD1-CB 4.12Å; L151-N176 HydrophobicContact CD2-CB 3.99Å; L151-N176 WeakPolarHBondContact CD2-OD1 3.4Å; F172-N176 WeakPolarHBondContact O-CB 3.5Å; F172-N176 PolarHBondContact O-N 3.41Å; F172-N176 PolarHBondContact O-ND2 3.13Å; E174-N176 PolarHBondContact O-N 3.21Å; N176-L178 HydrophobicContact CB-CD1 4.22Å; N176-L178 HydrophobicContact CB-CD2 4.17Å; N176-L178 HydrophobicContact CB-CG 3.83Å; N176-L178 PolarHBondContact O-N 3.4Å; N176-L178 VanDerWaalsContact O-N 3.13Å
177	Y	96.9	Very high	97.2	Very high	170 Å²	170	42.2 Å²	42.2	67%	0.667	21%	0.209	S	C	*	.	T	Hydrogen-bonded Turn	trans	54.2	30.1	177.2	-55.4	-85.3	0	0	0	115.1	K148 A173 E174 G179	K148-Y177 WeakPolarHBondContact CD-O 3.25Å; K148-Y177 WeakPolarHBondContact CE-O 3.37Å; K148-Y177 PolarHBondContact NZ-O 3.44Å; K148-Y177 VanDerWaalsContact NZ-O 3.09Å; A173-Y177 PolarHBondContact O-N 3.26Å; E174-Y177 PolarHBondContact O-N 3.41Å; Y177-G179 VanDerWaalsContact C-N 3.34Å; Y177-G179 PolarHBondContact O-N 3.36Å
178	L	97.2	Very high	97	Very high	9 Å²	9	41.1 Å²	41.1	5%	0.047	21%	0.206	C	C	.	.			trans	-73.2	-25.5	-174.2	-61.6	-173.8	0	0	0	113	T85 Y145 Q147 F172 A173 N176	T85-L178 HydrophobicContact CG2-CD1 4.42Å; Y145-L178 HydrophobicContact CD1-CB 3.83Å; Y145-L178 HydrophobicContact CD2-CD1 4.34Å; Y145-L178 HydrophobicContact CG-CB 3.99Å; Y145-L178 HydrophobicContact CG-CD1 4.05Å; Q147-L178 HydrophobicContact CB-CD2 4.47Å; Q147-L178 HydrophobicContact CG-CD2 3.8Å; F172-L178 HydrophobicContact CD1-CD1 4.05Å; F172-L178 HydrophobicContact CE1-CD1 3.82Å; A173-L178 HydrophobicContact CB-CB 4.15Å; A173-L178 PolarHBondContact O-N 2.7Å; N176-L178 HydrophobicContact CB-CD1 4.22Å; N176-L178 HydrophobicContact CB-CD2 4.17Å; N176-L178 HydrophobicContact CB-CG 3.83Å; N176-L178 PolarHBondContact O-N 3.4Å; N176-L178 VanDerWaalsContact O-N 3.13Å
179	G	96.2	Very high	96.7	Very high	50 Å²	50	39.7 Å²	39.7	52%	0.515	20%	0.196	S	C	.	.			trans	73.6	-141.8	-179.4	0	0	0	0	0	112.4	Y145 Y177	Y145-G179 WeakPolarHBondContact CE1-O 3.4Å; Y177-G179 VanDerWaalsContact C-N 3.34Å; Y177-G179 PolarHBondContact O-N 3.36Å
180	Q	95.7	Very high	96	Very high	66 Å²	66	43.4 Å²	43.4	31%	0.308	21%	0.212	S	C	.	.	S	Bend	trans	-82	154.1	179.6	72.5	178.8	31.1	0	0	111.5	E182	Q180-E182 PolarHBondContact O-N 3.46Å
181	P	98	Very high	94.9	Very high	5 Å²	5	42.3 Å²	42.3	3%	0.032	21%	0.208	C	C	.	.			trans	-62.5	134.6	177.2	22	-29.5	0	0	0	111.4	I38 P42 R43 V144 Y145	I38-P181 HydrophobicContact CD1-CG 3.99Å; P42-P181 WeakPolarHBondContact CA-O 3.49Å; P42-P181 HydrophobicContact CB-CB 4.13Å; P42-P181 HydrophobicContact CB-CG 4.28Å; P42-P181 HydrophobicContact CG-CB 4.17Å; P42-P181 HydrophobicContact CG-CG 4.1Å; R43-P181 PolarHBondContact N-O 3.16Å; V144-P181 CarbonylContact O-C 3.12Å; Y145-P181 HydrophobicContact CD1-CB 4.37Å; Y145-P181 HydrophobicContact CE1-CB 3.91Å; Y145-P181 HydrophobicContact CE1-CG 4.36Å
182	E	97.6	Very high	93.4	Very high	5 Å²	5	42 Å²	42	2%	0.023	20%	0.203	C	C	.	.	S	Bend	trans	-76.4	-49	173.6	-176.1	59.7	-144.6	0	0	110	R43 Q44 Y84 V144 Q180	R43-E182 WeakPolarHBondContact CB-O 3.35Å; R43-E182 WeakPolarHBondContact CD-OE2 3.37Å; R43-E182 IonicContact CZ-OE2 2.7Å; R43-E182 PolarHBondContact N-O 3.3Å; R43-E182 IonicContact NE-OE2 2.89Å; R43-E182 IonicContact NH1-OE2 3.03Å; R43-E182 PolarHBondContact NH1-OE2 2.81Å; Q44-E182 WeakPolarHBondContact CG-O 3.39Å; Q44-E182 PolarHBondContact N-O 3.17Å; Q44-E182 VanDerWaalsContact N-O 3.14Å; Q44-E182 PolarHBondContact NE2-OE1 3.2Å; Y84-E182 HydrophobicContact CE1-CB 4.41Å; Y84-E182 HydrophobicContact CE1-CG 4.07Å; V144-E182 WeakPolarHBondContact O-CA 3.46Å; V144-E182 PolarHBondContact O-N 2.8Å; Q180-E182 PolarHBondContact O-N 3.46Å
183	A	98	Very high	91.4	Very high	0 Å²	0	44 Å²	44	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	157.7	176.3	0	0	0	0	0	111.4	Q44 L46 W76 V144	Q44-A183 HydrophobicContact CG-CB 3.7Å; Q44-A183 VanDerWaalsContact O-CA 3.24Å; Q44-A183 WeakPolarHBondContact O-CA 3.33Å; L46-A183 HydrophobicContact CB-CB 4.07Å; W76-A183 HydrophobicContact CB-CB 3.74Å; W76-A183 HydrophobicContact CG-CB 4.17Å; V144-A183 HydrophobicContact CB-CB 4.11Å; V144-A183 PolarHBondContact N-O 3.12Å; V144-A183 PolarHBondContact O-N 2.88Å; V144-A183 VanDerWaalsContact O-N 3.16Å
184	G	98.1	Very high	89.1	Confident	0 Å²	0	47.3 Å²	47.3	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-169.7	164.3	173.6	0	0	0	0	0	113	P42 Q44 L46 F142	P42-G184 VanDerWaalsContact CB-N 3.33Å; Q44-G184 PolarHBondContact O-N 3.46Å; Q44-G184 VanDerWaalsContact O-N 3.16Å; L46-G184 PolarHBondContact N-O 3.42Å; F142-G184 WeakPolarHBondContact O-CA 3.49Å
185	N	97.9	Very high	86.5	Confident	0 Å²	0	44.7 Å²	44.7	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-162.2	168.4	178.2	-160.2	-11.5	0	0	0	107.8	L45 L46 V48 C56 L58 F142	L45-N185 HydrophobicContact CD1-CB 4.09Å; L46-N185 HydrophobicContact CB-CB 4.13Å; L46-N185 WeakPolarHBondContact O-CB 3.18Å; L46-N185 PolarHBondContact O-ND2 2.61Å; V48-N185 HydrophobicContact CG2-CB 4.12Å; C56-N185 PolarHBondContact O-ND2 3.41Å; C56-N185 PolarHBondContact SG-OD1 3.38Å; C56-N185 VanDerWaalsContact SG-OD1 3.4Å; L58-N185 PolarHBondContact N-OD1 3.4Å; F142-N185 PolarHBondContact N-O 2.88Å; F142-N185 PolarHBondContact O-N 2.87Å; F142-N185 VanDerWaalsContact O-N 3.14Å
186	F	98	Very high	84.2	Confident	0 Å²	0	38.9 Å²	38.9	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.4	158.7	176.2	61.3	-85.6	0	0	0	110.4	A27 F28 Y31 V33 C56 L58 G59 Y140 V141	A27-F186 HydrophobicContact CB-CE1 4.39Å; A27-F186 HydrophobicContact CB-CZ 4.3Å; F28-F186 HydrophobicContact CD1-CD1 4.48Å; F28-F186 HydrophobicContact CD1-CE1 4.47Å; F28-F186 HydrophobicContact CD2-CD1 4.3Å; F28-F186 AromaticContact CD2-CE1 3.82Å; F28-F186 HydrophobicContact CD2-CE1 3.82Å; F28-F186 HydrophobicContact CE1-CD1 4.14Å; F28-F186 AromaticContact CE2-CD1 3.94Å; F28-F186 HydrophobicContact CE2-CD1 3.94Å; F28-F186 AromaticContact CE2-CE1 3.87Å; F28-F186 HydrophobicContact CE2-CE1 3.87Å; F28-F186 HydrophobicContact CG-CE1 4.14Å; F28-F186 AromaticContact CZ-CD1 3.86Å; F28-F186 HydrophobicContact CZ-CD1 3.86Å; F28-F186 HydrophobicContact CZ-CE1 4.23Å; Y31-F186 AromaticContact CD1-CE2 3.79Å; Y31-F186 HydrophobicContact CD1-CE2 3.79Å; Y31-F186 AromaticContact CD2-CE2 3.65Å; Y31-F186 HydrophobicContact CD2-CE2 3.65Å; Y31-F186 AromaticContact CD2-CZ 3.56Å; Y31-F186 HydrophobicContact CD2-CZ 3.56Å; Y31-F186 HydrophobicContact CE1-CE2 4.38Å; Y31-F186 HydrophobicContact CE2-CE2 4.24Å; Y31-F186 HydrophobicContact CE2-CZ 4.28Å; Y31-F186 AromaticContact CG-CE2 3.37Å; Y31-F186 HydrophobicContact CG-CE2 3.37Å; Y31-F186 AromaticContact CG-CZ 3.68Å; Y31-F186 HydrophobicContact CG-CZ 3.68Å; V33-F186 HydrophobicContact CG2-CD1 4.09Å; V33-F186 HydrophobicContact CG2-CD2 4.29Å; V33-F186 HydrophobicContact CG2-CE1 4.25Å; V33-F186 HydrophobicContact CG2-CE2 4.45Å; V33-F186 HydrophobicContact CG2-CG 4.12Å; V33-F186 HydrophobicContact CG2-CZ 4.43Å; C56-F186 PolarHBondContact SG-O 3.36Å; C56-F186 VanDerWaalsContact SG-O 3.34Å; L58-F186 HydrophobicContact CD2-CD1 4.45Å; L58-F186 HydrophobicContact CD2-CE1 4.06Å; L58-F186 PolarHBondContact N-O 3.3Å; G59-F186 VanDerWaalsContact N-CE2 3.33Å; G59-F186 PolarHBondContact N-O 3Å; Y140-F186 WeakPolarHBondContact O-CA 3.48Å; Y140-F186 VanDerWaalsContact O-CB 3.28Å; Y140-F186 WeakPolarHBondContact O-CB 3.34Å; V141-F186 HydrophobicContact CB-CB 4.38Å; V141-F186 HydrophobicContact CG1-CB 4.49Å; V141-F186 HydrophobicContact CG2-CB 4.11Å
187	F	96.3	Very high	81.9	Confident	0 Å²	0	43.6 Å²	43.6	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136	173.8	173	63.3	-82.3	0	0	0	109.1	F50 C56 N60 L62 V67 M88 S129 R139 Y140 F142 V189	F50-F187 HydrophobicContact CE2-CD1 4.45Å; F50-F187 HydrophobicContact CE2-CE1 4.13Å; F50-F187 HydrophobicContact CE2-CZ 4.46Å; F50-F187 AromaticContact CZ-CE1 3.88Å; F50-F187 HydrophobicContact CZ-CE1 3.88Å; F50-F187 HydrophobicContact CZ-CZ 4.03Å; C56-F187 HydrophobicContact CB-CB 4.29Å; C56-F187 HydrophobicContact CB-CD1 4.16Å; N60-F187 WeakPolarHBondContact O-CA 3.23Å; N60-F187 WeakPolarHBondContact O-CB 3.46Å; L62-F187 HydrophobicContact CB-CD2 4.02Å; L62-F187 HydrophobicContact CD1-CB 3.99Å; L62-F187 HydrophobicContact CD1-CD1 4.44Å; L62-F187 HydrophobicContact CD1-CD2 3.84Å; L62-F187 HydrophobicContact CD1-CE2 4.4Å; L62-F187 HydrophobicContact CD1-CG 3.84Å; L62-F187 HydrophobicContact CG-CB 4.21Å; L62-F187 HydrophobicContact CG-CD2 4.14Å; L62-F187 HydrophobicContact CG-CG 4.36Å; V67-F187 HydrophobicContact CB-CE2 4.18Å; V67-F187 HydrophobicContact CB-CZ 4.15Å; V67-F187 HydrophobicContact CG1-CD2 4.38Å; V67-F187 HydrophobicContact CG1-CE2 3.74Å; V67-F187 HydrophobicContact CG1-CZ 3.91Å; V67-F187 HydrophobicContact CG2-CE2 3.98Å; V67-F187 HydrophobicContact CG2-CZ 4.28Å; M88-F187 HydrophobicContact CE-CE1 3.84Å; M88-F187 HydrophobicContact CE-CZ 3.66Å; S129-F187 WeakPolarHBondContact OG-CZ 3.49Å; R139-F187 WeakPolarHBondContact CA-O 3.47Å; Y140-F187 VanDerWaalsContact CB-CZ 3.45Å; Y140-F187 HydrophobicContact CD2-CD2 4.27Å; Y140-F187 AromaticContact CD2-CE2 3.79Å; Y140-F187 HydrophobicContact CD2-CE2 3.79Å; Y140-F187 HydrophobicContact CD2-CZ 4.17Å; Y140-F187 HydrophobicContact CG-CE1 4.43Å; Y140-F187 AromaticContact CG-CE2 3.98Å; Y140-F187 HydrophobicContact CG-CE2 3.98Å; Y140-F187 AromaticContact CG-CZ 3.87Å; Y140-F187 HydrophobicContact CG-CZ 3.87Å; Y140-F187 PolarHBondContact N-O 3.42Å; Y140-F187 PolarHBondContact O-N 2.89Å; Y140-F187 VanDerWaalsContact O-N 3.16Å; F142-F187 HydrophobicContact CD2-CE1 4.42Å; F142-F187 HydrophobicContact CE2-CD1 4.14Å; F142-F187 AromaticContact CE2-CE1 3.65Å; F142-F187 HydrophobicContact CE2-CE1 3.65Å; F142-F187 HydrophobicContact CZ-CE1 4.4Å; F187-V189 HydrophobicContact CD2-CG2 3.62Å; F187-V189 HydrophobicContact CE2-CG2 3.33Å
188	Q	93.6	Very high	79.7	Confident	18 Å²	18	38 Å²	38	8%	0.084	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	146.5	173.9	-60.3	174	106.7	0	0	110.7	G59 N60 I61 L62 L137 H138 R139	G59-Q188 PolarHBondContact O-NE2 2.85Å; N60-Q188 PolarHBondContact O-N 2.86Å; I61-Q188 WeakPolarHBondContact CA-O 3.46Å; I61-Q188 HydrophobicContact CG1-CB 4.43Å; L62-Q188 PolarHBondContact N-O 3.5Å; L137-Q188 HydrophobicContact CD2-CB 3.93Å; H138-Q188 CarbonylContact O-C 3.52Å; H138-Q188 WeakPolarHBondContact O-CA 3.48Å; R139-Q188 HydrophobicContact CG-CG 4.19Å
189	V	89.2	Confident	77.5	Confident	0 Å²	0	44.3 Å²	44.3	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	144	171.5	-174.8	0	0	0	0	108.7	P64 V67 P131 L137 H138 Y140 F187	P64-V189 HydrophobicContact CB-CG1 4.49Å; P64-V189 HydrophobicContact CG-CG1 3.64Å; V67-V189 HydrophobicContact CG2-CG2 4.21Å; P131-V189 HydrophobicContact CG-CB 4.4Å; P131-V189 HydrophobicContact CG-CG1 4.18Å; L137-V189 WeakPolarHBondContact CA-O 3.47Å; H138-V189 PolarHBondContact N-O 2.85Å; H138-V189 PolarHBondContact O-N 3.07Å; Y140-V189 HydrophobicContact CD2-CB 4.22Å; Y140-V189 HydrophobicContact CD2-CG2 3.86Å; Y140-V189 HydrophobicContact CE2-CB 3.69Å; Y140-V189 HydrophobicContact CE2-CG2 3.8Å; F187-V189 HydrophobicContact CD2-CG2 3.62Å; F187-V189 HydrophobicContact CE2-CG2 3.33Å
190	F	83.7	Confident	75.8	Confident	77 Å²	77	45.6 Å²	45.6	34%	0.338	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	161.8	168.6	67.9	-73.6	0	0	0	109.1	I61 L137 F192	I61-F190 HydrophobicContact CG2-CD1 3.8Å; I61-F190 HydrophobicContact CG2-CE1 3.81Å; L137-F190 HydrophobicContact CD2-CB 3.72Å; L137-F190 HydrophobicContact CD2-CD1 4.02Å; L137-F190 HydrophobicContact CD2-CG 4.28Å; L137-F190 HydrophobicContact CG-CB 4.2Å; F190-F192 AromaticContact CE2-CD2 3.85Å; F190-F192 HydrophobicContact CE2-CD2 3.85Å; F190-F192 AromaticContact CZ-CD2 3.65Å; F190-F192 HydrophobicContact CZ-CD2 3.65Å; F190-F192 HydrophobicContact CZ-CE2 4.23Å; F190-F192 PolarHBondContact O-N 2.94Å
191	Y	76.1	Confident	73.5	Confident	41 Å²	41	49.8 Å²	49.8	16%	0.161	26%	0.255	C	S	.	.			trans	-61.6	124.2	174.2	-175.4	-81.1	0	0	0	110.7	P131 Q133 Y193 Q206	P131-Y191 WeakPolarHBondContact O-CD2 3.35Å; Q133-Y191 HydrophobicContact CB-CD1 4.25Å; Q133-Y191 HydrophobicContact CB-CD2 3.85Å; Q133-Y191 HydrophobicContact CB-CE1 4.35Å; Q133-Y191 HydrophobicContact CB-CE2 3.88Å; Q133-Y191 HydrophobicContact CB-CG 4.02Å; Q133-Y191 HydrophobicContact CG-CD1 4.09Å; Q133-Y191 HydrophobicContact CG-CE1 4.2Å; Q133-Y191 HydrophobicContact CG-CG 4.3Å; Y191-Y193 AromaticContact CD1-CD2 3.92Å; Y191-Y193 HydrophobicContact CD1-CD2 3.92Å; Y191-Y193 AromaticContact CD1-CE2 3.73Å; Y191-Y193 HydrophobicContact CD1-CE2 3.73Å; Y191-Y193 AromaticContact CE1-CD1 3.98Å; Y191-Y193 HydrophobicContact CE1-CD1 3.98Å; Y191-Y193 AromaticContact CE1-CD2 3.52Å; Y191-Y193 HydrophobicContact CE1-CD2 3.52Å; Y191-Y193 AromaticContact CE1-CE1 3.7Å; Y191-Y193 HydrophobicContact CE1-CE1 3.7Å; Y191-Y193 AromaticContact CE1-CE2 3.21Å; Y191-Y193 HydrophobicContact CE1-CE2 3.21Å; Y191-Y193 AromaticContact CE1-CG 3.89Å; Y191-Y193 HydrophobicContact CE1-CG 3.89Å; Y191-Y193 AromaticContact CE1-CZ 3.28Å; Y191-Y193 AromaticContact CZ-CZ 3.85Å; Y191-Q206 WeakPolarHBondContact OH-CG 3.07Å
192	F	63.8	Low	71.2	Confident	79 Å²	79	52.3 Å²	52.3	35%	0.346	28%	0.276	S	S	.	.			trans	-110.4	133.1	-179.3	-163.6	-97.2	0	0	0	112.3	F190 L194	F190-F192 AromaticContact CE2-CD2 3.85Å; F190-F192 HydrophobicContact CE2-CD2 3.85Å; F190-F192 AromaticContact CZ-CD2 3.65Å; F190-F192 HydrophobicContact CZ-CD2 3.65Å; F190-F192 HydrophobicContact CZ-CE2 4.23Å; F190-F192 PolarHBondContact O-N 2.94Å; F192-L194 HydrophobicContact CD1-CG 4.49Å; F192-L194 HydrophobicContact CE1-CD2 3.89Å; F192-L194 HydrophobicContact CE1-CG 4.13Å
193	Y	55.2	Low	68.9	Low	66 Å²	66	54.9 Å²	54.9	26%	0.259	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	135.6	166.7	-79.5	-72.7	0	0	0	109.7	Q133 Y191 L204 F205	Q133-Y193 HydrophobicContact CG-CE2 4.26Å; Q133-Y193 PolarHBondContact NE2-OH 3.34Å; Q133-Y193 PolarHBondContact OE1-OH 2.73Å; Y191-Y193 AromaticContact CD1-CD2 3.92Å; Y191-Y193 HydrophobicContact CD1-CD2 3.92Å; Y191-Y193 AromaticContact CD1-CE2 3.73Å; Y191-Y193 HydrophobicContact CD1-CE2 3.73Å; Y191-Y193 AromaticContact CE1-CD1 3.98Å; Y191-Y193 HydrophobicContact CE1-CD1 3.98Å; Y191-Y193 AromaticContact CE1-CD2 3.52Å; Y191-Y193 HydrophobicContact CE1-CD2 3.52Å; Y191-Y193 AromaticContact CE1-CE1 3.7Å; Y191-Y193 HydrophobicContact CE1-CE1 3.7Å; Y191-Y193 AromaticContact CE1-CE2 3.21Å; Y191-Y193 HydrophobicContact CE1-CE2 3.21Å; Y191-Y193 AromaticContact CE1-CG 3.89Å; Y191-Y193 HydrophobicContact CE1-CG 3.89Å; Y191-Y193 AromaticContact CE1-CZ 3.28Å; Y191-Y193 AromaticContact CZ-CZ 3.85Å; Y193-L204 HydrophobicContact CD1-CB 4.28Å; Y193-L204 HydrophobicContact CD1-CD2 4.05Å; Y193-L204 HydrophobicContact CD2-CD2 4.44Å; Y193-L204 HydrophobicContact CE1-CB 4.44Å; Y193-L204 HydrophobicContact CG-CD2 4Å; Y193-F205 WeakPolarHBondContact CD1-O 3.17Å
194	L	49.1	Very low	66.4	Low	78 Å²	78	60.4 Å²	60.4	41%	0.408	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	115.1	157.3	-75.6	165.2	0	0	0	107.8	F192 F205 L220	F192-L194 HydrophobicContact CD1-CG 4.49Å; F192-L194 HydrophobicContact CE1-CD2 3.89Å; F192-L194 HydrophobicContact CE1-CG 4.13Å; L194-F205 PolarHBondContact O-N 3.08Å; L194-F205 VanDerWaalsContact O-N 3.08Å; L194-L220 HydrophobicContact CD1-CD1 3.86Å
195	N	43.7	Very low	63.8	Low	92 Å²	92	62.7 Å²	62.7	49%	0.492	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	118.5	164.7	-84.1	-16.2	0	0	0	108	L204	N195-L204 WeakPolarHBondContact OD1-CD2 3.34Å
196	C	46.2	Very low	61.2	Low	17 Å²	17	67.4 Å²	67.4	12%	0.115	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	128.3	166.9	-65.5	0	0	0	0	109.5	N203 F205 L220	C196-N203 PolarHBondContact N-O 3.12Å; C196-N203 VanDerWaalsContact N-O 3.12Å; C196-N203 PolarHBondContact O-N 2.93Å; C196-F205 HydrophobicContact CB-CD2 4.04Å; C196-F205 HydrophobicContact CB-CE2 3.83Å; C196-L220 HydrophobicContact CB-CD2 4Å; C196-L220 WeakPolarHBondContact SG-CD2 3.25Å
197	F	49.4	Very low	58.8	Low	142 Å²	142	69.7 Å²	69.7	62%	0.623	37%	0.369	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-90.3	112.5	175.8	-69.6	-86.7	0	0	0	108	K201 A202	F197-K201 WeakPolarHBondContact CA-O 3.45Å; F197-A202 HydrophobicContact CD1-CB 4.06Å; F197-A202 HydrophobicContact CE1-CB 3.7Å; F197-A202 HydrophobicContact CZ-CB 4.29Å
198	H	50.5	Low	56.2	Low	54 Å²	54	74.8 Å²	74.8	25%	0.25	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	125	170.2	-173.5	68.1	0	0	0	108.2	G200 K201 L223	H198-G200 VanDerWaalsContact C-N 3.3Å; H198-G200 PolarHBondContact O-N 3.41Å; H198-K201 PolarHBondContact N-O 2.66Å; H198-K201 PolarHBondContact O-N 2.85Å; H198-L223 PolarHBondContact ND1-O 3.43Å
199	N	51.6	Low	53.6	Low	141 Å²	141	78.7 Å²	78.7	75%	0.754	41%	0.408	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.9	42.7	-178.8	-72	-37.5	0	0	0	114.7	K201	N199-K201 PolarHBondContact O-N 3.22Å; N199-K201 VanDerWaalsContact O-N 3.16Å
200	G	59.4	Low	51.1	Low	77 Å²	77	84.1 Å²	84.1	79%	0.794	44%	0.437	S	S	*	.	T	Hydrogen-bonded Turn	trans	69.9	7.8	179.1	0	0	0	0	0	114.9	H198	H198-G200 VanDerWaalsContact C-N 3.3Å; H198-G200 PolarHBondContact O-N 3.41Å
201	K	47.7	Very low	49	Very low	153 Å²	153	87.9 Å²	87.9	67%	0.665	46%	0.461	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-106.6	130.5	170.9	-66.4	-176.7	179.8	179.5	0	109.6	F197 H198 N199 N203	F197-K201 WeakPolarHBondContact CA-O 3.45Å; H198-K201 PolarHBondContact N-O 2.66Å; H198-K201 PolarHBondContact O-N 2.85Å; N199-K201 PolarHBondContact O-N 3.22Å; N199-K201 VanDerWaalsContact O-N 3.16Å; K201-N203 PolarHBondContact O-N 2.73Å
202	A	49.5	Very low	47.4	Very low	58 Å²	58	92.5 Å²	92.5	48%	0.479	48%	0.483	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.1	118.2	169.6	0	0	0	0	0	108.7	F197	F197-A202 HydrophobicContact CD1-CB 4.06Å; F197-A202 HydrophobicContact CE1-CB 3.7Å; F197-A202 HydrophobicContact CZ-CB 4.29Å
203	N	49.2	Very low	46.5	Very low	60 Å²	60	91.4 Å²	91.4	32%	0.321	48%	0.483	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	124.3	168.1	-67.6	-32.3	0	0	0	108.1	C196 K201 F205	C196-N203 PolarHBondContact N-O 3.12Å; C196-N203 VanDerWaalsContact N-O 3.12Å; C196-N203 PolarHBondContact O-N 2.93Å; K201-N203 PolarHBondContact O-N 2.73Å; N203-F205 HydrophobicContact CB-CD2 4.29Å; N203-F205 HydrophobicContact CB-CE2 3.59Å; N203-F205 HydrophobicContact CB-CZ 4.1Å
204	L	45.4	Very low	45.7	Very low	116 Å²	116	92.9 Å²	92.9	61%	0.607	50%	0.501	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-84.6	111.6	174.2	-73.5	162	0	0	0	108.1	Y193 N195	Y193-L204 HydrophobicContact CD1-CB 4.28Å; Y193-L204 HydrophobicContact CD1-CD2 4.05Å; Y193-L204 HydrophobicContact CD2-CD2 4.44Å; Y193-L204 HydrophobicContact CE1-CB 4.44Å; Y193-L204 HydrophobicContact CG-CD2 4Å; N195-L204 WeakPolarHBondContact OD1-CD2 3.34Å
205	F	45.1	Very low	45.5	Very low	47 Å²	47	90.9 Å²	90.9	21%	0.206	50%	0.496	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	120.1	172.4	-70.3	-85.5	0	0	0	109.7	Y193 L194 C196 N203 A207 L220 L223	Y193-F205 WeakPolarHBondContact CD1-O 3.17Å; L194-F205 PolarHBondContact O-N 3.08Å; L194-F205 VanDerWaalsContact O-N 3.08Å; C196-F205 HydrophobicContact CB-CD2 4.04Å; C196-F205 HydrophobicContact CB-CE2 3.83Å; N203-F205 HydrophobicContact CB-CD2 4.29Å; N203-F205 HydrophobicContact CB-CE2 3.59Å; N203-F205 HydrophobicContact CB-CZ 4.1Å; F205-A207 PolarHBondContact O-N 2.98Å; F205-L220 HydrophobicContact CD2-CD2 4.48Å; F205-L223 HydrophobicContact CE1-CD1 4.41Å; F205-L223 HydrophobicContact CZ-CD1 3.79Å
206	Q	42.9	Very low	45.3	Very low	100 Å²	100	88.9 Å²	88.9	47%	0.467	49%	0.487	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.9	123.1	175	-153.6	176.8	-27.4	0	0	108.6	Y191 E208	Y191-Q206 WeakPolarHBondContact OH-CG 3.07Å; Q206-E208 HydrophobicContact CB-CG 3.95Å; Q206-E208 HydrophobicContact CG-CG 3.46Å; Q206-E208 VanDerWaalsContact CG-CG 3.46Å; Q206-E208 PolarHBondContact NE2-OE1 2.93Å; Q206-E208 PolarHBondContact O-N 3.45Å; Q206-E208 PolarHBondContact OE1-OE1 3.45Å
207	A	46.6	Very low	45.2	Very low	47 Å²	47	93.2 Å²	93.2	39%	0.388	51%	0.505	S	S	.	.			trans	-75.5	71.8	160	0	0	0	0	0	107.5	F205	F205-A207 PolarHBondContact O-N 2.98Å
208	E	42	Very low	45.2	Very low	107 Å²	107	92.5 Å²	92.5	50%	0.5	50%	0.504	S	S	.	.			trans	-69.7	133.8	167.8	-73.8	-170.5	139.7	0	0	109	Q206 D210	Q206-E208 HydrophobicContact CB-CG 3.95Å; Q206-E208 HydrophobicContact CG-CG 3.46Å; Q206-E208 VanDerWaalsContact CG-CG 3.46Å; Q206-E208 PolarHBondContact NE2-OE1 2.93Å; Q206-E208 PolarHBondContact O-N 3.45Å; Q206-E208 PolarHBondContact OE1-OE1 3.45Å; E208-D210 PolarHBondContact O-N 3.48Å
209	Y	40.4	Very low	45.1	Very low	100 Å²	100	94.7 Å²	94.7	39%	0.392	51%	0.514	S	S	.	.			trans	-67.1	74.8	159.4	-85.2	-99.5	0	0	0	108.3	P64 S129 G130	P64-Y209 HydrophobicContact CB-CE2 4.4Å; S129-Y209 PolarHBondContact N-OH 3.13Å; S129-Y209 PolarHBondContact O-OH 2.89Å; G130-Y209 PolarHBondContact N-OH 3.38Å
210	D	36.4	Very low	44.7	Very low	114 Å²	114	88.6 Å²	88.6	61%	0.61	48%	0.482	S	S	*	.			trans	-130	144.6	165.8	-111.4	-6.7	0	0	0	108.6	E208 H212	E208-D210 PolarHBondContact O-N 3.48Å; D210-H212 PolarHBondContact O-N 3.35Å
211	D	39.2	Very low	44.7	Very low	156 Å²	156	89.7 Å²	89.7	83%	0.834	47%	0.469	S	S	*	.	S	Bend	trans	-64.3	21.9	-156.6	-67.9	-42.9	0	0	0	117.6
212	H	42.5	Very low	45.2	Very low	138 Å²	138	89.1 Å²	89.1	64%	0.639	47%	0.469	S	S	*	.			trans	-134.9	52	-172	-70.5	-19.2	0	0	0	115.3	D210 P214 A215 V216	D210-H212 PolarHBondContact O-N 3.35Å; H212-P214 VanDerWaalsContact C-N 3.34Å; H212-A215 HydrophobicContact CB-CB 4.03Å; H212-A215 WeakPolarHBondContact O-CB 3Å; H212-A215 PolarHBondContact O-N 3.26Å; H212-V216 PolarHBondContact O-N 2.85Å
213	V	44.3	Very low	44.9	Very low	56 Å²	56	89 Å²	89	34%	0.339	46%	0.46	S	S	.	.	H	α-helix	trans	-60.3	-30.2	173.1	177.5	0	0	0	0	115.9	R68 A215 V216 Q217	R68-V213 VanDerWaalsContact NH2-CG2 3.27Å; V213-A215 PolarHBondContact O-N 3.44Å; V213-V216 PolarHBondContact O-N 3.48Å; V213-Q217 PolarHBondContact O-N 3.46Å
214	P	38.6	Very low	44.8	Very low	98 Å²	98	90 Å²	90	64%	0.636	47%	0.471	S	S	*	.	H	α-helix	trans	-58.2	-37	168.7	-24.5	35	0	0	0	112.5	H212 V216 Q217 E218	H212-P214 VanDerWaalsContact C-N 3.34Å; P214-V216 PolarHBondContact O-N 3.33Å; P214-Q217 PolarHBondContact O-N 3.33Å; P214-E218 VanDerWaalsContact O-CB 3.28Å; P214-E218 WeakPolarHBondContact O-CB 3.05Å; P214-E218 PolarHBondContact O-N 2.86Å
215	A	45	Very low	44.8	Very low	36 Å²	36	94.8 Å²	94.8	30%	0.298	49%	0.49	S	S	.	.	H	α-helix	trans	-69.4	-33.8	-178.7	0	0	0	0	0	112.5	H212 V213 E218 Q219	H212-A215 HydrophobicContact CB-CB 4.03Å; H212-A215 WeakPolarHBondContact O-CB 3Å; H212-A215 PolarHBondContact O-N 3.26Å; V213-A215 PolarHBondContact O-N 3.44Å; A215-E218 PolarHBondContact O-N 3.4Å; A215-Q219 VanDerWaalsContact O-CB 3.25Å; A215-Q219 WeakPolarHBondContact O-CB 3.5Å; A215-Q219 WeakPolarHBondContact O-CG 3.49Å; A215-Q219 PolarHBondContact O-N 3.16Å
216	V	39	Very low	44.8	Very low	50 Å²	50	97.2 Å²	97.2	30%	0.303	50%	0.504	S	S	.	.	H	α-helix	trans	-68.4	-43.9	175.2	180	0	0	0	0	110.3	H212 V213 P214 E218 Q219 L220	H212-V216 PolarHBondContact O-N 2.85Å; V213-V216 PolarHBondContact O-N 3.48Å; P214-V216 PolarHBondContact O-N 3.33Å; V216-E218 VanDerWaalsContact C-N 3.33Å; V216-E218 PolarHBondContact O-N 3.05Å; V216-Q219 PolarHBondContact O-N 3.35Å; V216-L220 HydrophobicContact CG1-CD1 3.89Å; V216-L220 HydrophobicContact CG1-CG 4.33Å; V216-L220 VanDerWaalsContact O-CB 3.26Å; V216-L220 WeakPolarHBondContact O-CB 3.41Å; V216-L220 WeakPolarHBondContact O-CD1 3.34Å; V216-L220 WeakPolarHBondContact O-CG 3.19Å; V216-L220 PolarHBondContact O-N 3.26Å
217	Q	45.1	Very low	44.9	Very low	108 Å²	108	97.1 Å²	97.1	51%	0.505	51%	0.506	S	S	.	.	H	α-helix	trans	-65.6	-36.1	176.3	-165.9	64.7	46.9	0	0	112.5	V213 P214 L220 N221	V213-Q217 PolarHBondContact O-N 3.46Å; P214-Q217 PolarHBondContact O-N 3.33Å; Q217-L220 WeakPolarHBondContact O-CB 3.42Å; Q217-L220 PolarHBondContact O-N 3.47Å; Q217-N221 WeakPolarHBondContact O-CB 3.38Å; Q217-N221 PolarHBondContact O-N 3Å; Q217-N221 PolarHBondContact O-ND2 2.86Å; Q217-N221 PolarHBondContact O-OD1 2.68Å
218	E	49.7	Very low	44.8	Very low	127 Å²	127	99.8 Å²	99.8	59%	0.593	51%	0.513	S	S	*	.	H	α-helix	trans	-71.9	-39.3	177.9	-156.5	164.2	-149.8	0	0	112	P214 A215 V216 N221 Q222	P214-E218 VanDerWaalsContact O-CB 3.28Å; P214-E218 WeakPolarHBondContact O-CB 3.05Å; P214-E218 PolarHBondContact O-N 2.86Å; A215-E218 PolarHBondContact O-N 3.4Å; V216-E218 VanDerWaalsContact C-N 3.33Å; V216-E218 PolarHBondContact O-N 3.05Å; E218-N221 PolarHBondContact O-N 3.02Å; E218-Q222 WeakPolarHBondContact O-CG 3.26Å; E218-Q222 PolarHBondContact O-N 3.07Å
219	Q	47.5	Very low	45	Very low	100 Å²	100	99.4 Å²	99.4	47%	0.467	51%	0.513	S	S	.	.	H	α-helix	trans	-66.5	-37.8	170.6	-75.3	174.2	-13.6	0	0	112.3	A215 V216 Q222 L223	A215-Q219 VanDerWaalsContact O-CB 3.25Å; A215-Q219 WeakPolarHBondContact O-CB 3.5Å; A215-Q219 WeakPolarHBondContact O-CG 3.49Å; A215-Q219 PolarHBondContact O-N 3.16Å; V216-Q219 PolarHBondContact O-N 3.35Å; Q219-Q222 PolarHBondContact O-N 3.05Å; Q219-L223 WeakPolarHBondContact O-CB 3.4Å; Q219-L223 WeakPolarHBondContact O-CG 3.28Å; Q219-L223 PolarHBondContact O-N 3.25Å
220	L	43.5	Very low	45.3	Very low	13 Å²	13	99.4 Å²	99.4	7%	0.068	52%	0.521	C	S	.	.	H	α-helix	trans	-61.7	-42.7	173.7	-76.6	168.3	0	0	0	111.9	L194 C196 F205 V216 Q217 Q222 L223 C224	L194-L220 HydrophobicContact CD1-CD1 3.86Å; C196-L220 HydrophobicContact CB-CD2 4Å; C196-L220 WeakPolarHBondContact SG-CD2 3.25Å; F205-L220 HydrophobicContact CD2-CD2 4.48Å; V216-L220 HydrophobicContact CG1-CD1 3.89Å; V216-L220 HydrophobicContact CG1-CG 4.33Å; V216-L220 VanDerWaalsContact O-CB 3.26Å; V216-L220 WeakPolarHBondContact O-CB 3.41Å; V216-L220 WeakPolarHBondContact O-CD1 3.34Å; V216-L220 WeakPolarHBondContact O-CG 3.19Å; V216-L220 PolarHBondContact O-N 3.26Å; Q217-L220 WeakPolarHBondContact O-CB 3.42Å; Q217-L220 PolarHBondContact O-N 3.47Å; L220-Q222 VanDerWaalsContact C-N 3.3Å; L220-Q222 PolarHBondContact O-N 3.28Å; L220-L223 PolarHBondContact O-N 3.38Å; L220-C224 WeakPolarHBondContact O-CB 3.44Å; L220-C224 PolarHBondContact O-N 3.19Å; L220-C224 VanDerWaalsContact O-N 3.07Å; L220-C224 PolarHBondContact O-SG 3.41Å
221	N	59.2	Low	45.9	Very low	99 Å²	99	98.4 Å²	98.4	53%	0.529	52%	0.515	S	S	.	.	H	α-helix	trans	-67.2	-28.5	177.5	-70.1	-16.6	0	0	0	112.9	Q217 E218	Q217-N221 WeakPolarHBondContact O-CB 3.38Å; Q217-N221 PolarHBondContact O-N 3Å; Q217-N221 PolarHBondContact O-ND2 2.86Å; Q217-N221 PolarHBondContact O-OD1 2.68Å; E218-N221 PolarHBondContact O-N 3.02Å
222	Q	57.7	Low	46.4	Very low	142 Å²	142	94.3 Å²	94.3	66%	0.664	49%	0.492	S	S	*	.	H	α-helix	trans	-81.6	-29.2	176	-72.1	178.2	5.5	0	0	113.4	E218 Q219 L220	E218-Q222 WeakPolarHBondContact O-CG 3.26Å; E218-Q222 PolarHBondContact O-N 3.07Å; Q219-Q222 PolarHBondContact O-N 3.05Å; L220-Q222 VanDerWaalsContact C-N 3.3Å; L220-Q222 PolarHBondContact O-N 3.28Å
223	L	44.4	Very low	46.7	Very low	55 Å²	55	90.9 Å²	90.9	29%	0.288	48%	0.481	S	S	.	.	H	α-helix	trans	-95	-12.8	-176.5	-68.7	167.7	0	0	0	113.8	H198 F205 Q219 L220	H198-L223 PolarHBondContact ND1-O 3.43Å; F205-L223 HydrophobicContact CE1-CD1 4.41Å; F205-L223 HydrophobicContact CZ-CD1 3.79Å; Q219-L223 WeakPolarHBondContact O-CB 3.4Å; Q219-L223 WeakPolarHBondContact O-CG 3.28Å; Q219-L223 PolarHBondContact O-N 3.25Å; L220-L223 PolarHBondContact O-N 3.38Å
224	C	46.8	Very low	46.9	Very low	81 Å²	81	93.8 Å²	93.8	55%	0.547	49%	0.493	S	S	.	.			trans	-98.8	11.7	177.3	-60.7	0	0	0	0	114.1	L220	L220-C224 WeakPolarHBondContact O-CB 3.44Å; L220-C224 PolarHBondContact O-N 3.19Å; L220-C224 VanDerWaalsContact O-N 3.07Å; L220-C224 PolarHBondContact O-SG 3.41Å
225	Q	46.2	Very low	47.6	Very low	217 Å²	217	93.5 Å²	93.5	100%	1.014	48%	0.48	S	S	*	.			trans	-96	0	162	-67	-173.4	8.3	0	0	110

Retrieved 225 of 225 residues in 141.3 ms (Link to these results)

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