A0A077ZL14_TRITR Loading...

RNase T domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZL14, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 205 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	68.2	Low	83.6	Confident	245 Å²	245	116.7 Å²	116.7	100%	1.207	58%	0.582	S	S	*	*				0	109.8	0	-170.1	177.1	-75.6	0	0	105.6
2	E	80.5	Confident	83.8	Confident	160 Å²	160	116.3 Å²	116.3	75%	0.748	58%	0.582	S	S	*	*			trans	-74.3	132.6	-179.9	-73	173.1	169.1	0	0	109.4
3	A	86.2	Confident	83.9	Confident	58 Å²	58	119.2 Å²	119.2	48%	0.479	60%	0.601	S	S	.	*			trans	-70.4	131.6	176.4	0	0	0	0	0	109.6	L12	A3-L12 HydrophobicContact CB-CD1 3.82Å; A3-L12 HydrophobicContact CB-CD2 4.07Å; A3-L12 HydrophobicContact CB-CG 3.84Å
4	K	89.4	Confident	83.9	Confident	118 Å²	118	113.2 Å²	113.2	51%	0.513	58%	0.576	S	S	.	*	B	Isolated β-bridge	trans	-124.8	144.2	178.6	-67.7	-177.9	173.3	-167.1	0	110.5	Q9 G10	K4-Q9 WeakPolarHBondContact CD-O 3.47Å; K4-G10 CarbonylContact C-O 3.55Å; K4-G10 WeakPolarHBondContact CA-O 3.42Å
5	Y	84.5	Confident	83.6	Confident	102 Å²	102	112.1 Å²	112.1	40%	0.4	59%	0.591	S	S	.	*			trans	-69	129.3	171.2	-69.5	-74.4	0	0	0	110.2	C7 Q9 G10 D11 S14	Y5-C7 PolarHBondContact O-N 3.24Å; Y5-Q9 WeakPolarHBondContact O-CA 3.5Å; Y5-Q9 PolarHBondContact O-N 2.78Å; Y5-G10 WeakPolarHBondContact CD2-O 3.5Å; Y5-G10 PolarHBondContact N-O 2.85Å; Y5-D11 VanDerWaalsContact CD2-O 3.3Å; Y5-D11 WeakPolarHBondContact CD2-O 3.21Å; Y5-D11 WeakPolarHBondContact CE2-O 3.39Å; Y5-S14 WeakPolarHBondContact CD2-OG 3.19Å
6	W	84.3	Confident	83.4	Confident	244 Å²	244	107.6 Å²	107.6	92%	0.924	58%	0.58	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62.4	-28.2	177.3	-84.8	-4.1	0	0	0	113.9	Q9	W6-Q9 PolarHBondContact O-NE2 3.11Å
7	C	82.3	Confident	83.4	Confident	100 Å²	100	104.3 Å²	104.3	68%	0.676	57%	0.566	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.3	-40.6	-175.9	58.7	0	0	0	0	114.3	Y5 C17	Y5-C7 PolarHBondContact O-N 3.24Å; C7-C17 HydrophobicContact CB-CB 4.1Å; C7-C17 WeakPolarHBondContact CB-SG 3.46Å; C7-C17 WeakPolarHBondContact SG-CB 3.11Å; C7-C17 CovalentContact SG-SG 2.03Å; C7-C17 PolarHBondContact SG-SG 3.03Å
8	C	83.6	Confident	83.2	Confident	55 Å²	55	104.3 Å²	104.3	37%	0.372	57%	0.574	S	S	.	*	T	Hydrogen-bonded Turn	trans	-124.2	0.8	-178.7	66.7	0	0	0	0	114.2	G10 C17	C8-G10 PolarHBondContact O-N 2.74Å; C8-G10 VanDerWaalsContact O-N 3.09Å; C8-G10 PolarHBondContact SG-N 3.15Å; C8-C17 HydrophobicContact CB-CB 3.89Å; C8-C17 WeakPolarHBondContact CB-SG 3.37Å; C8-C17 PolarHBondContact N-SG 3.37Å; C8-C17 PolarHBondContact SG-SG 3.41Å
9	Q	86.2	Confident	83.1	Confident	111 Å²	111	103.5 Å²	103.5	52%	0.519	58%	0.582	S	S	.	*			trans	59.5	13.2	-171.5	-53.8	-62.7	-44.7	0	0	114.2	K4 Y5 W6	K4-Q9 WeakPolarHBondContact CD-O 3.47Å; Y5-Q9 WeakPolarHBondContact O-CA 3.5Å; Y5-Q9 PolarHBondContact O-N 2.78Å; W6-Q9 PolarHBondContact O-NE2 3.11Å
10	G	85.3	Confident	83.3	Confident	16 Å²	16	101.8 Å²	101.8	17%	0.165	58%	0.582	C	S	.	*			trans	-67.3	150.9	173.6	0	0	0	0	0	111.5	K4 Y5 C8	K4-G10 CarbonylContact C-O 3.55Å; K4-G10 WeakPolarHBondContact CA-O 3.42Å; Y5-G10 WeakPolarHBondContact CD2-O 3.5Å; Y5-G10 PolarHBondContact N-O 2.85Å; C8-G10 PolarHBondContact O-N 2.74Å; C8-G10 VanDerWaalsContact O-N 3.09Å; C8-G10 PolarHBondContact SG-N 3.15Å
11	D	89	Confident	83.5	Confident	75 Å²	75	102.4 Å²	102.4	40%	0.401	59%	0.592	S	S	.	*	B	Isolated β-bridge	trans	-70.8	174.6	173.1	62.3	55.1	0	0	0	112.2	Y5 N13 S14	Y5-D11 VanDerWaalsContact CD2-O 3.3Å; Y5-D11 WeakPolarHBondContact CD2-O 3.21Å; Y5-D11 WeakPolarHBondContact CE2-O 3.39Å; D11-N13 PolarHBondContact O-N 3.09Å; D11-N13 VanDerWaalsContact O-N 3.13Å; D11-N13 VanDerWaalsContact OD1-CA 3.29Å; D11-N13 WeakPolarHBondContact OD1-CA 3.41Å; D11-N13 WeakPolarHBondContact OD1-CB 3.42Å; D11-N13 PolarHBondContact OD1-N 3.31Å; D11-S14 VanDerWaalsContact O-CB 3.28Å; D11-S14 WeakPolarHBondContact O-CB 3.39Å; D11-S14 PolarHBondContact O-N 3.32Å; D11-S14 PolarHBondContact O-OG 3.04Å; D11-S14 PolarHBondContact OD1-N 2.81Å
12	L	85.6	Confident	84.7	Confident	111 Å²	111	97.2 Å²	97.2	58%	0.581	56%	0.56	S	S	*	*	T	Hydrogen-bonded Turn	trans	-60.8	-16.6	179.3	-69.4	175.4	0	0	0	114.9	A3	A3-L12 HydrophobicContact CB-CD1 3.82Å; A3-L12 HydrophobicContact CB-CD2 4.07Å; A3-L12 HydrophobicContact CB-CG 3.84Å
13	N	85.9	Confident	85.2	Confident	154 Å²	154	98.4 Å²	98.4	82%	0.824	57%	0.565	S	S	*	*	T	Hydrogen-bonded Turn	trans	-100.2	0.1	177	-60.9	-40.6	0	0	0	112.2	D11	D11-N13 PolarHBondContact O-N 3.09Å; D11-N13 VanDerWaalsContact O-N 3.13Å; D11-N13 VanDerWaalsContact OD1-CA 3.29Å; D11-N13 WeakPolarHBondContact OD1-CA 3.41Å; D11-N13 WeakPolarHBondContact OD1-CB 3.42Å; D11-N13 PolarHBondContact OD1-N 3.31Å
14	S	84.3	Confident	85.5	Confident	36 Å²	36	97.5 Å²	97.5	25%	0.252	55%	0.554	S	S	.	*	S	Bend	trans	-63.6	146.2	177.7	68.1	0	0	0	0	111.5	Y5 D11 G16	Y5-S14 WeakPolarHBondContact CD2-OG 3.19Å; D11-S14 VanDerWaalsContact O-CB 3.28Å; D11-S14 WeakPolarHBondContact O-CB 3.39Å; D11-S14 PolarHBondContact O-N 3.32Å; D11-S14 PolarHBondContact O-OG 3.04Å; D11-S14 PolarHBondContact OD1-N 2.81Å; S14-G16 PolarHBondContact O-N 3.47Å
15	A	79.3	Confident	85.5	Confident	97 Å²	97	94.7 Å²	94.7	80%	0.802	55%	0.547	S	S	*	.			trans	-67.2	-0.8	-179.4	0	0	0	0	0	114.4
16	G	80.6	Confident	85.7	Confident	40 Å²	40	95.5 Å²	95.5	41%	0.412	56%	0.558	S	S	.	*			trans	106.2	166.8	-174.7	0	0	0	0	0	113.6	S14 C18	S14-G16 PolarHBondContact O-N 3.47Å; G16-C18 VanDerWaalsContact C-N 3.25Å; G16-C18 PolarHBondContact O-N 3.44Å
17	C	82.7	Confident	85.9	Confident	51 Å²	51	90.2 Å²	90.2	35%	0.345	55%	0.545	S	S	.	.	S	Bend	trans	-68.9	-25.3	-179.2	-62.9	0	0	0	0	112.6	C7 C8	C7-C17 HydrophobicContact CB-CB 4.1Å; C7-C17 WeakPolarHBondContact CB-SG 3.46Å; C7-C17 WeakPolarHBondContact SG-CB 3.11Å; C7-C17 CovalentContact SG-SG 2.03Å; C7-C17 PolarHBondContact SG-SG 3.03Å; C8-C17 HydrophobicContact CB-CB 3.89Å; C8-C17 WeakPolarHBondContact CB-SG 3.37Å; C8-C17 PolarHBondContact N-SG 3.37Å; C8-C17 PolarHBondContact SG-SG 3.41Å
18	C	79.5	Confident	86.1	Confident	105 Å²	105	87.3 Å²	87.3	71%	0.709	52%	0.521	S	S	*	.			trans	-140.7	136.9	173.3	-57.3	0	0	0	0	107.6	G16	G16-C18 VanDerWaalsContact C-N 3.25Å; G16-C18 PolarHBondContact O-N 3.44Å
19	A	81.9	Confident	86.3	Confident	88 Å²	88	87 Å²	87	73%	0.727	52%	0.518	S	S	*	.			trans	-123.5	139.4	171.2	0	0	0	0	0	108.1
20	A	86.5	Confident	86.4	Confident	70 Å²	70	88.3 Å²	88.3	58%	0.579	53%	0.529	S	S	*	.			trans	-136.4	156.3	177.3	0	0	0	0	0	109.1	Y22	A20-Y22 PolarHBondContact O-N 3.03Å
21	S	88.7	Confident	86.5	Confident	114 Å²	114	91.9 Å²	91.9	80%	0.797	55%	0.551	S	S	*	*	S	Bend	trans	-69.2	-21.6	177.8	-59	0	0	0	0	113
22	Y	92.1	Very high	86.4	Confident	137 Å²	137	89.3 Å²	89.3	54%	0.537	54%	0.537	S	S	.	.	S	Bend	trans	-135.3	150.2	-177.6	-56.9	-76.2	0	0	0	110.8	A20 L88	A20-Y22 PolarHBondContact O-N 3.03Å; Y22-L88 HydrophobicContact CD1-CD2 4.14Å; Y22-L88 HydrophobicContact CD2-CB 4.06Å; Y22-L88 HydrophobicContact CD2-CD2 3.96Å; Y22-L88 HydrophobicContact CE1-CD2 4.15Å; Y22-L88 HydrophobicContact CE2-CD2 3.96Å; Y22-L88 HydrophobicContact CG-CB 4.34Å; Y22-L88 HydrophobicContact CG-CD2 4.05Å
23	H	90.7	Very high	86.6	Confident	184 Å²	184	89 Å²	89	85%	0.852	54%	0.536	S	S	*	.			trans	-86	130.9	162.9	-175.8	-123.8	0	0	0	108.5
24	V	92.6	Very high	86.8	Confident	40 Å²	40	85.2 Å²	85.2	24%	0.242	52%	0.515	C	S	.	.			trans	-122.3	156.6	-179	-61.8	0	0	0	0	109.9	Y56 D89	V24-Y56 HydrophobicContact CB-CD1 3.85Å; V24-Y56 HydrophobicContact CB-CD2 3.91Å; V24-Y56 HydrophobicContact CB-CE1 4.31Å; V24-Y56 HydrophobicContact CB-CE2 4.36Å; V24-Y56 HydrophobicContact CB-CG 3.62Å; V24-Y56 HydrophobicContact CG1-CD2 4.21Å; V24-Y56 HydrophobicContact CG1-CG 3.88Å; V24-Y56 HydrophobicContact CG2-CD1 4.27Å; V24-Y56 HydrophobicContact CG2-CD2 3.65Å; V24-Y56 HydrophobicContact CG2-CE1 4.36Å; V24-Y56 HydrophobicContact CG2-CE2 3.74Å; V24-Y56 HydrophobicContact CG2-CG 3.91Å; V24-D89 HydrophobicContact CG1-CB 4.13Å
25	T	90.9	Very high	87.3	Confident	59 Å²	59	88.6 Å²	88.6	36%	0.362	53%	0.53	S	S	.	.			trans	-135.9	145.1	178.8	178.9	0	0	0	0	109.9	M27 Y56 P61	T25-M27 HydrophobicContact CG2-CB 4.2Å; T25-M27 HydrophobicContact CG2-CE 4.21Å; T25-M27 PolarHBondContact O-N 2.86Å; T25-M27 WeakPolarHBondContact OG1-CE 3.47Å; T25-M27 WeakPolarHBondContact OG1-CG 3.26Å; T25-M27 PolarHBondContact OG1-N 3.36Å; T25-Y56 VanDerWaalsContact O-CE1 3.25Å; T25-Y56 WeakPolarHBondContact O-CE1 3.48Å; T25-P61 WeakPolarHBondContact O-CG 3.24Å
26	D	87.5	Confident	88.1	Confident	119 Å²	119	87.1 Å²	87.1	64%	0.636	50%	0.504	S	S	*	.	S	Bend	trans	-76.8	-3.1	171.7	60	-15.4	0	0	0	113.2	F28	D26-F28 PolarHBondContact O-N 2.9Å
27	M	89.1	Confident	88.8	Confident	132 Å²	132	87.3 Å²	87.3	65%	0.65	50%	0.498	S	S	*	.	P	Polyproline II helix	trans	-69.4	126.6	174.5	-67.1	-171.6	-62.3	0	0	110.9	T25 P29 P61	T25-M27 HydrophobicContact CG2-CB 4.2Å; T25-M27 HydrophobicContact CG2-CE 4.21Å; T25-M27 PolarHBondContact O-N 2.86Å; T25-M27 WeakPolarHBondContact OG1-CE 3.47Å; T25-M27 WeakPolarHBondContact OG1-CG 3.26Å; T25-M27 PolarHBondContact OG1-N 3.36Å; M27-P29 WeakPolarHBondContact O-CD 3.49Å; M27-P61 WeakPolarHBondContact O-CD 3.43Å
28	F	86.8	Confident	89.5	Confident	39 Å²	39	92.8 Å²	92.8	17%	0.171	51%	0.511	C	S	.	.	P	Polyproline II helix	trans	-83.5	118.3	169.7	-71.6	-101.6	0	0	0	109.5	D26 M32 P61 R136	D26-F28 PolarHBondContact O-N 2.9Å; F28-M32 HydrophobicContact CD1-SD 4.02Å; F28-P61 HydrophobicContact CD1-CB 4.46Å; F28-P61 HydrophobicContact CD2-CG 4.37Å; F28-P61 HydrophobicContact CE1-CB 3.97Å; F28-P61 HydrophobicContact CE2-CB 4.19Å; F28-P61 HydrophobicContact CE2-CG 4.31Å; F28-P61 HydrophobicContact CZ-CB 3.84Å; F28-P61 HydrophobicContact CZ-CG 4.4Å; F28-R136 VanDerWaalsContact CB-CD 3.49Å; F28-R136 HydrophobicContact CD1-CG 3.7Å; F28-R136 HydrophobicContact CD2-CG 4.43Å; F28-R136 HydrophobicContact CE1-CB 4.24Å; F28-R136 HydrophobicContact CE1-CG 3.86Å; F28-R136 HydrophobicContact CG-CG 4Å; F28-R136 HydrophobicContact CZ-CB 4.3Å; F28-R136 HydrophobicContact CZ-CG 4.28Å
29	P	88.1	Confident	89.9	Confident	49 Å²	49	88.8 Å²	88.8	32%	0.318	48%	0.483	S	S	.	.	P	Polyproline II helix	trans	-69.1	150.9	177.1	28.7	-34.3	0	0	0	111.2	M27 S31 M32 K59	M27-P29 WeakPolarHBondContact O-CD 3.49Å; P29-S31 PolarHBondContact O-N 3.31Å; P29-M32 HydrophobicContact CG-CG 4.06Å; P29-M32 HydrophobicContact CG-SD 4.09Å; P29-M32 WeakPolarHBondContact O-CB 3.3Å; P29-M32 PolarHBondContact O-N 3.19Å; P29-K59 WeakPolarHBondContact CG-O 3.4Å
30	D	88.5	Confident	90	Very high	139 Å²	139	86.3 Å²	86.3	74%	0.743	47%	0.466	S	S	*	.	G	3₁₀ helix	trans	-55.2	-25.9	178.1	-70.7	-13.9	0	0	0	113.2	M32 L33	D30-M32 PolarHBondContact O-N 3.28Å; D30-M32 VanDerWaalsContact O-N 3.13Å; D30-L33 HydrophobicContact CB-CD1 4.33Å; D30-L33 WeakPolarHBondContact O-CB 3.43Å; D30-L33 WeakPolarHBondContact O-CG 3.22Å; D30-L33 PolarHBondContact O-N 2.98Å
31	S	86.2	Confident	89.9	Confident	90 Å²	90	87.1 Å²	87.1	63%	0.629	47%	0.473	S	S	*	.	G	3₁₀ helix	trans	-62.3	-15.1	174.5	57.8	0	0	0	0	114.2	P29	P29-S31 PolarHBondContact O-N 3.31Å
32	M	87.7	Confident	89.7	Confident	21 Å²	21	83.6 Å²	83.6	10%	0.103	45%	0.449	C	S	.	.	G	3₁₀ helix	trans	-92.7	1.1	176	-73	-178	151.6	0	0	113.5	F28 P29 D30 D34 K59	F28-M32 HydrophobicContact CD1-SD 4.02Å; P29-M32 HydrophobicContact CG-CG 4.06Å; P29-M32 HydrophobicContact CG-SD 4.09Å; P29-M32 WeakPolarHBondContact O-CB 3.3Å; P29-M32 PolarHBondContact O-N 3.19Å; D30-M32 PolarHBondContact O-N 3.28Å; D30-M32 VanDerWaalsContact O-N 3.13Å; M32-D34 PolarHBondContact O-N 3.25Å; M32-D34 VanDerWaalsContact O-N 3.14Å; M32-K59 HydrophobicContact CE-CB 3.74Å; M32-K59 WeakPolarHBondContact CE-O 3.4Å
33	L	89.1	Confident	89.2	Confident	106 Å²	106	82.8 Å²	82.8	56%	0.555	46%	0.463	S	S	*	.	S	Bend	trans	-78.7	17.2	179	-61.7	177.5	0	0	0	113.9	D30	D30-L33 HydrophobicContact CB-CD1 4.33Å; D30-L33 WeakPolarHBondContact O-CB 3.43Å; D30-L33 WeakPolarHBondContact O-CG 3.22Å; D30-L33 PolarHBondContact O-N 2.98Å
34	D	91.1	Very high	89.1	Confident	74 Å²	74	80 Å²	80	40%	0.396	45%	0.45	S	S	.	.			trans	-102.4	169.6	-179.6	71.8	-7.6	0	0	0	112.5	M32 Y36 K139	M32-D34 PolarHBondContact O-N 3.25Å; M32-D34 VanDerWaalsContact O-N 3.14Å; D34-Y36 VanDerWaalsContact C-N 3.26Å; D34-Y36 VanDerWaalsContact O-CD2 3.27Å; D34-Y36 WeakPolarHBondContact O-CD2 3.25Å; D34-Y36 PolarHBondContact O-N 2.69Å; D34-Y36 VanDerWaalsContact O-N 3.11Å; D34-K139 WeakPolarHBondContact O-CD 3.43Å; D34-K139 IonicContact OD1-NZ 3.46Å; D34-K139 PolarHBondContact OD1-NZ 3.33Å
35	N	93.9	Very high	89	Confident	107 Å²	107	85.9 Å²	85.9	57%	0.572	48%	0.475	S	S	*	.			trans	57	30.2	169.9	-55.1	-49.2	0	0	0	116	Q113 K139	N35-Q113 PolarHBondContact O-NE2 3Å; N35-K139 HydrophobicContact CB-CD 4.33Å
36	Y	96.2	Very high	89.1	Confident	65 Å²	65	84.1 Å²	84.1	26%	0.255	47%	0.465	S	S	.	.	P	Polyproline II helix	trans	-73.2	129.7	171.6	-77.9	-103.5	0	0	0	111.4	D34 R136 K139 I141	D34-Y36 VanDerWaalsContact C-N 3.26Å; D34-Y36 VanDerWaalsContact O-CD2 3.27Å; D34-Y36 WeakPolarHBondContact O-CD2 3.25Å; D34-Y36 PolarHBondContact O-N 2.69Å; D34-Y36 VanDerWaalsContact O-N 3.11Å; Y36-R136 VanDerWaalsContact OH-CG 3.24Å; Y36-R136 WeakPolarHBondContact OH-CG 3.36Å; Y36-R136 PolarHBondContact OH-O 3.01Å; Y36-K139 CarbonylContact C-O 3.54Å; Y36-K139 VanDerWaalsContact CA-O 3.23Å; Y36-K139 WeakPolarHBondContact CA-O 3.28Å; Y36-K139 VanDerWaalsContact CD1-C 3.44Å; Y36-K139 HydrophobicContact CD1-CB 4.16Å; Y36-K139 HydrophobicContact CD2-CB 4.23Å; Y36-K139 HydrophobicContact CD2-CG 4.46Å; Y36-K139 HydrophobicContact CE1-CB 4.24Å; Y36-K139 HydrophobicContact CE2-CB 4.28Å; Y36-K139 HydrophobicContact CE2-CG 4.1Å; Y36-K139 HydrophobicContact CG-CB 4.15Å; Y36-I141 HydrophobicContact CD1-CD1 4.48Å; Y36-I141 HydrophobicContact CD1-CG1 3.92Å; Y36-I141 HydrophobicContact CG-CD1 4.48Å; Y36-I141 HydrophobicContact CG-CG1 4.37Å
37	V	96.3	Very high	89.6	Confident	45 Å²	45	81.1 Å²	81.1	27%	0.273	45%	0.45	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	150.2	174.2	-59	0	0	0	0	110.9	Q113 T117 K139 I140 I141	V37-Q113 HydrophobicContact CG2-CB 3.98Å; V37-Q113 HydrophobicContact CG2-CG 3.94Å; V37-T117 HydrophobicContact CB-CG2 4.31Å; V37-T117 HydrophobicContact CG2-CG2 3.6Å; V37-K139 PolarHBondContact N-O 3.35Å; V37-I140 HydrophobicContact CG2-CG1 3.81Å; V37-I140 CarbonylContact O-C 3.58Å; V37-I140 WeakPolarHBondContact O-CA 3.37Å; V37-I141 PolarHBondContact O-N 3.28Å
38	R	95.3	Very high	90	Very high	165 Å²	165	75.6 Å²	75.6	62%	0.623	42%	0.423	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-102.1	142.3	174.6	-72.8	175.1	-179.7	-88.5	-1.5	109.7	I141	R38-I141 HydrophobicContact CG-CB 3.97Å; R38-I141 HydrophobicContact CG-CD1 4.38Å; R38-I141 HydrophobicContact CG-CG2 4.3Å
39	T	89.5	Confident	90.6	Very high	21 Å²	21	73.8 Å²	73.8	13%	0.129	42%	0.415	C	S	.	.	P	Polyproline II helix	trans	-61.4	136.2	168.9	50.6	0	0	0	0	110.6	F120 I140 I141 H142	T39-F120 WeakPolarHBondContact CB-O 3.45Å; T39-F120 HydrophobicContact CG2-CB 3.64Å; T39-F120 WeakPolarHBondContact CG2-O 3.45Å; T39-I140 HydrophobicContact CG2-CG2 4.17Å; T39-I141 PolarHBondContact N-O 3.01Å; T39-H142 HydrophobicContact CG2-CB 4.22Å; T39-H142 WeakPolarHBondContact CG2-ND1 3.5Å; T39-H142 PolarHBondContact OG1-ND1 2.91Å
40	G	83.8	Confident	91	Very high	36 Å²	36	71.5 Å²	71.5	37%	0.371	40%	0.4	S	S	.	.	P	Polyproline II helix	trans	-80	170.4	-175.2	0	0	0	0	0	114.1	E122	G40-E122 WeakPolarHBondContact O-CB 3.27Å; G40-E122 PolarHBondContact O-N 3.24Å
41	A	84.1	Confident	91.5	Very high	87 Å²	87	65.9 Å²	65.9	72%	0.719	37%	0.37	S	S	*	.	P	Polyproline II helix	trans	-65.3	135.1	176.7	0	0	0	0	0	111.5	E122	A41-E122 WeakPolarHBondContact CA-OE1 3.23Å
42	S	84.9	Confident	92	Very high	41 Å²	41	61.8 Å²	61.8	29%	0.287	34%	0.341	S	S	.	.			trans	-155.4	134.7	177.1	176.7	0	0	0	0	109.6	Q44 G121 N123	S42-Q44 VanDerWaalsContact C-N 3.28Å; S42-Q44 PolarHBondContact OG-N 3.41Å; S42-G121 VanDerWaalsContact CB-CA 3.44Å; S42-N123 PolarHBondContact O-ND2 3.07Å
43	S	82.2	Confident	92.4	Very high	119 Å²	119	61.3 Å²	61.3	83%	0.832	34%	0.339	S	S	*	.			trans	-81.9	-5.9	175.4	60.3	0	0	0	0	113.5
44	Q	87.3	Confident	92.7	Very high	125 Å²	125	58.3 Å²	58.3	58%	0.584	32%	0.322	S	S	*	.			trans	-82.6	126	-176.1	-160.7	-179.7	-32.6	0	0	110.2	S42 T46	S42-Q44 VanDerWaalsContact C-N 3.28Å; S42-Q44 PolarHBondContact OG-N 3.41Å; Q44-T46 HydrophobicContact CB-CG2 4.48Å; Q44-T46 HydrophobicContact CG-CG2 3.75Å
45	E	89.7	Confident	92.9	Very high	164 Å²	164	54.8 Å²	54.8	77%	0.766	30%	0.303	S	S	*	.			trans	-87.4	109.7	169.6	-63.5	-174.3	145.4	0	0	108.3
46	T	94.7	Very high	93.1	Very high	23 Å²	23	51.6 Å²	51.6	14%	0.141	28%	0.284	C	S	.	.			trans	-126.4	158.2	177.8	52.6	0	0	0	0	110.4	Q44 F48 C124 I125	Q44-T46 HydrophobicContact CB-CG2 4.48Å; Q44-T46 HydrophobicContact CG-CG2 3.75Å; T46-F48 HydrophobicContact CG2-CE2 4.38Å; T46-F48 HydrophobicContact CG2-CZ 4.44Å; T46-F48 WeakPolarHBondContact OG1-CE2 3.32Å; T46-C124 CarbonylContact O-C 3.58Å; T46-C124 WeakPolarHBondContact O-CA 3.47Å; T46-C124 WeakPolarHBondContact OG1-CB 3.48Å; T46-C124 PolarHBondContact OG1-SG 3.25Å; T46-I125 PolarHBondContact O-N 3.21Å
47	V	97.3	Very high	93	Very high	55 Å²	55	48.8 Å²	48.8	33%	0.333	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	125.2	171.1	-179.2	0	0	0	0	107.5	G71 I125 I127	V47-G71 PolarHBondContact O-N 2.75Å; V47-G71 VanDerWaalsContact O-N 3.09Å; V47-I125 WeakPolarHBondContact CA-O 3.48Å; V47-I125 HydrophobicContact CG2-CB 4.45Å; V47-I127 HydrophobicContact CG1-CD1 3.41Å; V47-I127 VanDerWaalsContact CG1-CD1 3.41Å; V47-I127 HydrophobicContact CG1-CG1 4.02Å
48	F	98	Very high	93	Very high	17 Å²	17	50.2 Å²	50.2	8%	0.075	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	150.3	171.2	-65.6	-64.9	0	0	0	109.5	T46 V68 V69 D70 V76 L119 F120 C124 I125 L126 I127	T46-F48 HydrophobicContact CG2-CE2 4.38Å; T46-F48 HydrophobicContact CG2-CZ 4.44Å; T46-F48 WeakPolarHBondContact OG1-CE2 3.32Å; F48-V68 HydrophobicContact CB-CG1 3.85Å; F48-V68 HydrophobicContact CD1-CG1 4.03Å; F48-V68 HydrophobicContact CG-CG1 4.07Å; F48-V69 CarbonylContact C-O 3.56Å; F48-V69 VanDerWaalsContact CA-O 3.24Å; F48-V69 WeakPolarHBondContact CA-O 3.12Å; F48-D70 HydrophobicContact CD1-CB 3.99Å; F48-D70 HydrophobicContact CE1-CB 3.82Å; F48-V76 HydrophobicContact CD1-CG2 3.9Å; F48-V76 HydrophobicContact CE1-CG1 4.44Å; F48-V76 HydrophobicContact CE1-CG2 3.83Å; F48-L119 HydrophobicContact CD2-CG 4.36Å; F48-L119 HydrophobicContact CE1-CD1 4.12Å; F48-L119 HydrophobicContact CE1-CG 4.46Å; F48-L119 HydrophobicContact CE2-CD1 3.97Å; F48-L119 HydrophobicContact CE2-CG 3.9Å; F48-L119 HydrophobicContact CZ-CD1 3.58Å; F48-L119 HydrophobicContact CZ-CG 3.97Å; F48-F120 HydrophobicContact CB-CD1 4.49Å; F48-F120 HydrophobicContact CB-CE1 3.92Å; F48-F120 AromaticContact CD2-CD1 3.67Å; F48-F120 HydrophobicContact CD2-CD1 3.67Å; F48-F120 AromaticContact CD2-CE1 3.81Å; F48-F120 HydrophobicContact CD2-CE1 3.81Å; F48-F120 HydrophobicContact CE2-CD1 4.32Å; F48-F120 HydrophobicContact CG-CD1 4.33Å; F48-F120 HydrophobicContact CG-CE1 4Å; F48-C124 WeakPolarHBondContact CD2-SG 3.3Å; F48-I125 PolarHBondContact N-O 2.99Å; F48-L126 HydrophobicContact CB-CD1 4.31Å; F48-L126 WeakPolarHBondContact O-CA 3.32Å; F48-I127 PolarHBondContact O-N 2.82Å
49	A	98.4	Very high	92.8	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	144.9	162	0	0	0	0	0	111.1	V68 V69 I127 A189 I193	A49-V68 VanDerWaalsContact O-CA 3.27Å; A49-V68 WeakPolarHBondContact O-CA 3.34Å; A49-V69 HydrophobicContact CB-CG2 3.78Å; A49-V69 PolarHBondContact N-O 3.36Å; A49-V69 PolarHBondContact O-N 3.18Å; A49-I127 CarbonylContact C-O 3.48Å; A49-I127 WeakPolarHBondContact CA-O 3.36Å; A49-I127 HydrophobicContact CB-CB 4.17Å; A49-A189 HydrophobicContact CB-CB 4.12Å; A49-A189 WeakPolarHBondContact CB-O 3.49Å; A49-I193 HydrophobicContact CB-CD1 3.71Å; A49-I193 HydrophobicContact CB-CG1 3.53Å
50	L	97.8	Very high	93	Very high	1 Å²	1	47.9 Å²	47.9	1%	0.005	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	137.8	-175.3	170.6	74.3	0	0	0	109.4	V66 T67 V68 L126 I127 L131 D134 L135 L138	L50-V66 HydrophobicContact CD1-CG2 3.46Å; L50-V66 VanDerWaalsContact CD1-CG2 3.46Å; L50-T67 WeakPolarHBondContact CA-O 3.28Å; L50-V68 HydrophobicContact CD1-CG2 3.88Å; L50-L126 HydrophobicContact CB-CD1 3.78Å; L50-L126 HydrophobicContact CB-CG 4.33Å; L50-L126 HydrophobicContact CD2-CD2 4.01Å; L50-I127 PolarHBondContact N-O 3.09Å; L50-L131 HydrophobicContact CB-CD2 4.27Å; L50-L131 HydrophobicContact CD2-CD2 4.04Å; L50-L131 HydrophobicContact CG-CD2 4.34Å; L50-D134 HydrophobicContact CD2-CB 4.24Å; L50-L135 HydrophobicContact CD2-CD2 4.42Å; L50-L138 HydrophobicContact CD1-CD1 4.01Å; L50-L138 HydrophobicContact CD2-CD1 3.5Å; L50-L138 VanDerWaalsContact CD2-CD1 3.5Å; L50-L138 HydrophobicContact CG-CD1 4.33Å
51	D	97.5	Very high	93.6	Very high	21 Å²	21	46.5 Å²	46.5	11%	0.112	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	140.3	166.9	-175.9	78	0	0	0	109.9	T67 S185 D188 A189	D51-T67 PolarHBondContact N-O 3.26Å; D51-T67 PolarHBondContact O-N 3Å; D51-S185 WeakPolarHBondContact CB-O 2.89Å; D51-S185 WeakPolarHBondContact OD2-CA 3.49Å; D51-S185 WeakPolarHBondContact OD2-CB 3.44Å; D51-D188 HydrophobicContact CB-CB 4.39Å; D51-A189 HydrophobicContact CB-CB 4.03Å
52	C	97.2	Very high	94.1	Very high	5 Å²	5	42.8 Å²	42.8	3%	0.034	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	140.3	-179.8	-64.3	0	0	0	0	111.8	M54 L63 R65 D134	C52-M54 HydrophobicContact CB-SD 3.83Å; C52-L63 HydrophobicContact CB-CD1 3.66Å; C52-R65 CarbonylContact C-O 3.52Å; C52-R65 VanDerWaalsContact CA-O 3.31Å; C52-R65 WeakPolarHBondContact CA-O 3.1Å; C52-D134 HydrophobicContact CB-CB 4.18Å; C52-D134 WeakPolarHBondContact CB-OD1 3.29Å; C52-D134 PolarHBondContact N-OD1 3.18Å
53	E	96	Very high	94.7	Very high	11 Å²	11	41.2 Å²	41.2	5%	0.051	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	137.1	166.9	-52.8	-65.2	-178.2	0	0	111.1	A64 R65 S95 M97	E53-A64 PolarHBondContact O-N 3.14Å; E53-R65 HydrophobicContact CB-CB 3.87Å; E53-R65 HydrophobicContact CG-CB 3.94Å; E53-R65 VanDerWaalsContact CG-NE 3.3Å; E53-R65 VanDerWaalsContact CG-NH2 3.27Å; E53-R65 PolarHBondContact N-O 2.63Å; E53-R65 PolarHBondContact O-N 3.13Å; E53-R65 IonicContact OE1-CZ 2.78Å; E53-R65 IonicContact OE1-NH2 3Å; E53-R65 PolarHBondContact OE1-NH2 3.1Å; E53-S95 WeakPolarHBondContact CG-O 3.36Å; E53-S95 VanDerWaalsContact OE2-CA 3.32Å; E53-S95 WeakPolarHBondContact OE2-CA 3.45Å; E53-M97 HydrophobicContact CB-CG 4.44Å
54	M	95.1	Very high	95.4	Very high	42 Å²	42	35.5 Å²	35.5	21%	0.207	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	145.3	-178	-74.7	71.3	76.4	0	0	112.2	C52 S62 N133 A137	C52-M54 HydrophobicContact CB-SD 3.83Å; M54-S62 CarbonylContact C-O 3.53Å; M54-S62 VanDerWaalsContact CA-O 3.28Å; M54-S62 WeakPolarHBondContact CA-O 3.3Å; M54-N133 HydrophobicContact CE-CB 4.17Å; M54-A137 HydrophobicContact CG-CB 4.24Å; M54-A137 HydrophobicContact SD-CB 4.35Å
55	V	96.7	Very high	95.8	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	163.5	169.2	-61.3	0	0	0	0	109.4	T57 S62 A64 P83 L87 C90 M97 V102	V55-T57 HydrophobicContact CG2-CG2 4.31Å; V55-S62 PolarHBondContact N-O 2.82Å; V55-S62 PolarHBondContact O-N 3.11Å; V55-A64 HydrophobicContact CB-CB 4.23Å; V55-A64 HydrophobicContact CG1-CB 3.41Å; V55-A64 VanDerWaalsContact CG1-CB 3.41Å; V55-A64 HydrophobicContact CG2-CB 3.93Å; V55-P83 HydrophobicContact CG2-CB 4Å; V55-P83 HydrophobicContact CG2-CG 4.06Å; V55-L87 HydrophobicContact CB-CD1 3.96Å; V55-L87 HydrophobicContact CG2-CD1 4.02Å; V55-C90 WeakPolarHBondContact CG1-O 3.48Å; V55-M97 HydrophobicContact CG1-CB 4.23Å; V55-M97 HydrophobicContact CG1-CG 4.44Å; V55-V102 HydrophobicContact CG1-CG2 4.07Å
56	Y	96.7	Very high	96.2	Very high	40 Å²	40	23.8 Å²	23.8	16%	0.157	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	126.9	175.9	-60.6	-76.5	0	0	0	110.5	V24 T25 P61 L88 D89 N91	V24-Y56 HydrophobicContact CB-CD1 3.85Å; V24-Y56 HydrophobicContact CB-CD2 3.91Å; V24-Y56 HydrophobicContact CB-CE1 4.31Å; V24-Y56 HydrophobicContact CB-CE2 4.36Å; V24-Y56 HydrophobicContact CB-CG 3.62Å; V24-Y56 HydrophobicContact CG1-CD2 4.21Å; V24-Y56 HydrophobicContact CG1-CG 3.88Å; V24-Y56 HydrophobicContact CG2-CD1 4.27Å; V24-Y56 HydrophobicContact CG2-CD2 3.65Å; V24-Y56 HydrophobicContact CG2-CE1 4.36Å; V24-Y56 HydrophobicContact CG2-CE2 3.74Å; V24-Y56 HydrophobicContact CG2-CG 3.91Å; T25-Y56 VanDerWaalsContact O-CE1 3.25Å; T25-Y56 WeakPolarHBondContact O-CE1 3.48Å; Y56-P61 HydrophobicContact CD1-CG 4.35Å; Y56-P61 HydrophobicContact CE1-CG 4.23Å; Y56-L88 WeakPolarHBondContact O-CB 3.24Å; Y56-L88 PolarHBondContact O-N 3Å; Y56-D89 HydrophobicContact CD2-CB 4.17Å; Y56-D89 PolarHBondContact N-O 3.4Å; Y56-D89 PolarHBondContact O-N 3.06Å; Y56-N91 HydrophobicContact CD2-CB 4.06Å; Y56-N91 HydrophobicContact CE2-CB 3.83Å
57	T	95.8	Very high	96.4	Very high	6 Å²	6	22.7 Å²	22.7	4%	0.037	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	174.3	173.9	74	0	0	0	0	111.5	V55 K59 G60 S62 P83 E84 E86	V55-T57 HydrophobicContact CG2-CG2 4.31Å; T57-K59 PolarHBondContact O-N 3.05Å; T57-K59 PolarHBondContact OG1-N 3.03Å; T57-K59 VanDerWaalsContact OG1-N 3.14Å; T57-G60 PolarHBondContact N-O 3.17Å; T57-G60 PolarHBondContact O-N 2.72Å; T57-G60 PolarHBondContact OG1-O 2.93Å; T57-S62 PolarHBondContact OG1-OG 3.2Å; T57-P83 HydrophobicContact CG2-CB 3.78Å; T57-P83 HydrophobicContact CG2-CG 4.07Å; T57-E84 WeakPolarHBondContact CB-O 3.49Å; T57-E84 PolarHBondContact OG1-O 3.1Å; T57-E86 CarbonylContact C-O 3.57Å; T57-E86 WeakPolarHBondContact CA-O 3.3Å; T57-E86 WeakPolarHBondContact CB-O 3.33Å
58	T	94.6	Very high	96.5	Very high	75 Å²	75	20.1 Å²	20.1	46%	0.46	10%	0.102	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.6	-10.9	170.9	52.5	0	0	0	0	114.1	E86 L88	T58-E86 HydrophobicContact CG2-CB 3.89Å; T58-E86 PolarHBondContact N-O 2.87Å; T58-E86 PolarHBondContact OG1-N 2.8Å; T58-E86 VanDerWaalsContact OG1-N 3.08Å; T58-L88 HydrophobicContact CG2-CD1 4.15Å; T58-L88 HydrophobicContact CG2-CD2 3.78Å; T58-L88 HydrophobicContact CG2-CG 4.07Å
59	K	92.7	Very high	96.5	Very high	122 Å²	122	19.3 Å²	19.3	53%	0.53	10%	0.098	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.3	-18	174.8	-62.7	-65.9	-175.5	175.8	0	113.3	P29 M32 T57	P29-K59 WeakPolarHBondContact CG-O 3.4Å; M32-K59 HydrophobicContact CE-CB 3.74Å; M32-K59 WeakPolarHBondContact CE-O 3.4Å; T57-K59 PolarHBondContact O-N 3.05Å; T57-K59 PolarHBondContact OG1-N 3.03Å; T57-K59 VanDerWaalsContact OG1-N 3.14Å
60	G	93.3	Very high	96.4	Very high	16 Å²	16	20.7 Å²	20.7	17%	0.165	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	126.9	-167.9	-175.5	0	0	0	0	0	112.4	T57 S62	T57-G60 PolarHBondContact N-O 3.17Å; T57-G60 PolarHBondContact O-N 2.72Å; T57-G60 PolarHBondContact OG1-O 2.93Å; G60-S62 PolarHBondContact O-N 3.11Å; G60-S62 PolarHBondContact O-OG 3.03Å
61	P	95	Very high	96.3	Very high	6 Å²	6	21.8 Å²	21.8	4%	0.039	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-56.3	127.7	171.1	-21.5	32.7	0	0	0	110.7	T25 M27 F28 Y56	T25-P61 WeakPolarHBondContact O-CG 3.24Å; M27-P61 WeakPolarHBondContact O-CD 3.43Å; F28-P61 HydrophobicContact CD1-CB 4.46Å; F28-P61 HydrophobicContact CD2-CG 4.37Å; F28-P61 HydrophobicContact CE1-CB 3.97Å; F28-P61 HydrophobicContact CE2-CB 4.19Å; F28-P61 HydrophobicContact CE2-CG 4.31Å; F28-P61 HydrophobicContact CZ-CB 3.84Å; F28-P61 HydrophobicContact CZ-CG 4.4Å; Y56-P61 HydrophobicContact CD1-CG 4.35Å; Y56-P61 HydrophobicContact CE1-CG 4.23Å
62	S	95.5	Very high	96.3	Very high	10 Å²	10	27 Å²	27	7%	0.07	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	143.6	-173.3	-62.7	0	0	0	0	110.9	M54 V55 T57 G60 A64	M54-S62 CarbonylContact C-O 3.53Å; M54-S62 VanDerWaalsContact CA-O 3.28Å; M54-S62 WeakPolarHBondContact CA-O 3.3Å; V55-S62 PolarHBondContact N-O 2.82Å; V55-S62 PolarHBondContact O-N 3.11Å; T57-S62 PolarHBondContact OG1-OG 3.2Å; G60-S62 PolarHBondContact O-N 3.11Å; G60-S62 PolarHBondContact O-OG 3.03Å; S62-A64 PolarHBondContact O-N 3.07Å
63	L	96.5	Very high	96.3	Very high	7 Å²	7	29.2 Å²	29.2	4%	0.037	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.8	130.8	175.5	-176.2	70.1	0	0	0	110.9	C52 R65 V66 V81 L109 V112 A137 L138	C52-L63 HydrophobicContact CB-CD1 3.66Å; L63-R65 VanDerWaalsContact CD1-O 3.3Å; L63-R65 WeakPolarHBondContact CD1-O 3.46Å; L63-V66 HydrophobicContact CD1-CB 4.33Å; L63-V81 HydrophobicContact CD2-CB 4.3Å; L63-V81 HydrophobicContact CD2-CG1 4.28Å; L63-V81 HydrophobicContact CD2-CG2 3.8Å; L63-V81 HydrophobicContact CG-CB 4.25Å; L63-V81 HydrophobicContact CG-CG2 4.03Å; L63-L109 HydrophobicContact CD2-CD1 3.86Å; L63-V112 HydrophobicContact CD2-CG1 4.42Å; L63-A137 HydrophobicContact CB-CB 4.29Å; L63-L138 HydrophobicContact CD1-CD2 4.39Å; L63-L138 HydrophobicContact CD2-CD2 3.48Å; L63-L138 VanDerWaalsContact CD2-CD2 3.48Å; L63-L138 HydrophobicContact CD2-CG 4.32Å
64	A	96.9	Very high	96.4	Very high	0 Å²	0	33 Å²	33	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	-28.5	175.1	0	0	0	0	0	113.4	E53 V55 S62 T80 V81 M97 V102	E53-A64 PolarHBondContact O-N 3.14Å; V55-A64 HydrophobicContact CB-CB 4.23Å; V55-A64 HydrophobicContact CG1-CB 3.41Å; V55-A64 VanDerWaalsContact CG1-CB 3.41Å; V55-A64 HydrophobicContact CG2-CB 3.93Å; S62-A64 PolarHBondContact O-N 3.07Å; A64-T80 CarbonylContact O-C 3.46Å; A64-T80 WeakPolarHBondContact O-CA 3.21Å; A64-T80 WeakPolarHBondContact O-CG2 3.47Å; A64-V81 PolarHBondContact O-N 2.94Å; A64-M97 HydrophobicContact CB-CG 3.95Å; A64-V102 HydrophobicContact CB-CG2 4.43Å
65	R	97.4	Very high	96.5	Very high	43 Å²	43	33.6 Å²	33.6	16%	0.162	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	141.6	171	-174.2	172.7	64.4	-174.9	1.1	109.5	C52 E53 L63 R79 M97 H183 S185	C52-R65 CarbonylContact C-O 3.52Å; C52-R65 VanDerWaalsContact CA-O 3.31Å; C52-R65 WeakPolarHBondContact CA-O 3.1Å; E53-R65 HydrophobicContact CB-CB 3.87Å; E53-R65 HydrophobicContact CG-CB 3.94Å; E53-R65 VanDerWaalsContact CG-NE 3.3Å; E53-R65 VanDerWaalsContact CG-NH2 3.27Å; E53-R65 PolarHBondContact N-O 2.63Å; E53-R65 PolarHBondContact O-N 3.13Å; E53-R65 IonicContact OE1-CZ 2.78Å; E53-R65 IonicContact OE1-NH2 3Å; E53-R65 PolarHBondContact OE1-NH2 3.1Å; L63-R65 VanDerWaalsContact CD1-O 3.3Å; L63-R65 WeakPolarHBondContact CD1-O 3.46Å; R65-R79 VanDerWaalsContact CA-O 3.29Å; R65-R79 WeakPolarHBondContact CA-O 3.27Å; R65-M97 HydrophobicContact CB-SD 4Å; R65-H183 PolarHBondContact NH2-O 3.25Å; R65-S185 PolarHBondContact NE-OG 3.42Å; R65-S185 VanDerWaalsContact NE-OG 3.1Å; R65-S185 PolarHBondContact NH2-OG 2.8Å
66	V	98	Very high	96.6	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	135.2	168.5	57.1	0	0	0	0	109.3	L50 L63 V68 E78 R79 V81 V112 L116 L138	L50-V66 HydrophobicContact CD1-CG2 3.46Å; L50-V66 VanDerWaalsContact CD1-CG2 3.46Å; L63-V66 HydrophobicContact CD1-CB 4.33Å; V66-V68 HydrophobicContact CG2-CG2 4.38Å; V66-E78 VanDerWaalsContact O-CA 3.3Å; V66-E78 WeakPolarHBondContact O-CA 3.18Å; V66-R79 HydrophobicContact CG1-CB 3.86Å; V66-R79 HydrophobicContact CG1-CG 4.47Å; V66-R79 PolarHBondContact N-O 2.86Å; V66-R79 PolarHBondContact O-N 2.93Å; V66-V81 HydrophobicContact CG1-CG2 4.3Å; V66-V112 HydrophobicContact CG1-CG1 3.77Å; V66-V112 HydrophobicContact CG1-CG2 4.17Å; V66-L116 HydrophobicContact CG2-CD1 4.17Å; V66-L138 HydrophobicContact CB-CD2 4.46Å; V66-L138 HydrophobicContact CG2-CD2 4.2Å
67	T	98.3	Very high	96.6	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	133.1	177.4	-58.5	0	0	0	0	109.7	L50 D51 V75 C77 S185 K186	L50-T67 WeakPolarHBondContact CA-O 3.28Å; D51-T67 PolarHBondContact N-O 3.26Å; D51-T67 PolarHBondContact O-N 3Å; T67-V75 HydrophobicContact CG2-CG1 4.49Å; T67-C77 CarbonylContact C-O 3.56Å; T67-C77 WeakPolarHBondContact CA-O 3.43Å; T67-S185 WeakPolarHBondContact CB-OG 3.32Å; T67-S185 WeakPolarHBondContact OG1-CB 3.48Å; T67-S185 PolarHBondContact OG1-OG 3.4Å; T67-K186 HydrophobicContact CG2-CB 4.11Å
68	V	98.5	Very high	96.7	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	128.4	178.8	-172.9	0	0	0	0	109.1	F48 A49 L50 V66 V75 V76 C77 L116 L119 F120	F48-V68 HydrophobicContact CB-CG1 3.85Å; F48-V68 HydrophobicContact CD1-CG1 4.03Å; F48-V68 HydrophobicContact CG-CG1 4.07Å; A49-V68 VanDerWaalsContact O-CA 3.27Å; A49-V68 WeakPolarHBondContact O-CA 3.34Å; L50-V68 HydrophobicContact CD1-CG2 3.88Å; V66-V68 HydrophobicContact CG2-CG2 4.38Å; V68-V75 WeakPolarHBondContact O-CA 3.47Å; V68-V76 HydrophobicContact CB-CG2 3.98Å; V68-V76 HydrophobicContact CG1-CG2 3.67Å; V68-V76 WeakPolarHBondContact O-CG2 3.4Å; V68-V76 PolarHBondContact O-N 3.31Å; V68-C77 HydrophobicContact CB-CB 3.98Å; V68-C77 HydrophobicContact CG2-CB 4.03Å; V68-C77 PolarHBondContact N-O 3.14Å; V68-C77 PolarHBondContact O-N 3.32Å; V68-L116 HydrophobicContact CG2-CD2 3.69Å; V68-L119 HydrophobicContact CB-CD2 4.41Å; V68-L119 HydrophobicContact CG1-CD2 3.93Å; V68-F120 HydrophobicContact CG1-CE1 3.73Å; V68-F120 HydrophobicContact CG1-CZ 3.92Å; V68-F120 HydrophobicContact CG2-CE1 4.41Å; V68-F120 HydrophobicContact CG2-CZ 3.82Å
69	V	98.4	Very high	96.8	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	145.6	173.8	-59.7	0	0	0	0	110.9	F48 A49 N74 V75 K186 A189 I193	F48-V69 CarbonylContact C-O 3.56Å; F48-V69 VanDerWaalsContact CA-O 3.24Å; F48-V69 WeakPolarHBondContact CA-O 3.12Å; A49-V69 HydrophobicContact CB-CG2 3.78Å; A49-V69 PolarHBondContact N-O 3.36Å; A49-V69 PolarHBondContact O-N 3.18Å; V69-N74 CarbonylContact C-O 3.6Å; V69-N74 WeakPolarHBondContact CA-O 3.35Å; V69-V75 HydrophobicContact CG1-CG2 4.04Å; V69-K186 HydrophobicContact CG1-CG 4.33Å; V69-A189 HydrophobicContact CG1-CB 4.31Å; V69-A189 HydrophobicContact CG2-CB 3.71Å; V69-I193 HydrophobicContact CG2-CD1 3.79Å
70	D	97.5	Very high	97.1	Very high	30 Å²	30	36.3 Å²	36.3	16%	0.16	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82	175	174.2	68.3	19.7	0	0	0	113	F48 D72 L73 N74 V76 I193	F48-D70 HydrophobicContact CD1-CB 3.99Å; F48-D70 HydrophobicContact CE1-CB 3.82Å; D70-D72 PolarHBondContact O-N 3.25Å; D70-D72 VanDerWaalsContact O-N 3.1Å; D70-D72 VanDerWaalsContact OD1-C 3.23Å; D70-D72 VanDerWaalsContact OD1-CA 3.3Å; D70-D72 WeakPolarHBondContact OD1-CA 3.5Å; D70-D72 WeakPolarHBondContact OD1-CB 3.48Å; D70-D72 PolarHBondContact OD1-N 3.17Å; D70-L73 WeakPolarHBondContact O-CA 3.15Å; D70-L73 PolarHBondContact O-N 3.41Å; D70-L73 PolarHBondContact OD1-N 2.85Å; D70-N74 PolarHBondContact N-O 2.64Å; D70-N74 PolarHBondContact OD1-N 2.66Å; D70-N74 PolarHBondContact OD1-ND2 3.48Å; D70-N74 PolarHBondContact OD2-ND2 3.37Å; D70-V76 HydrophobicContact CB-CG1 3.91Å; D70-I193 WeakPolarHBondContact O-CD1 3.5Å
71	G	95.7	Very high	97.3	Very high	23 Å²	23	35.6 Å²	35.6	24%	0.237	19%	0.19	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.6	-18.9	177	0	0	0	0	0	115	V47 K197	V47-G71 PolarHBondContact O-N 2.75Å; V47-G71 VanDerWaalsContact O-N 3.09Å; G71-K197 PolarHBondContact O-NZ 3.45Å
72	D	96.5	Very high	97.4	Very high	131 Å²	131	40.6 Å²	40.6	70%	0.701	21%	0.211	S	C	*	.	T	Hydrogen-bonded Turn	trans	-95.2	6.7	176	-65.7	-36.4	0	0	0	112.5	D70 N74	D70-D72 PolarHBondContact O-N 3.25Å; D70-D72 VanDerWaalsContact O-N 3.1Å; D70-D72 VanDerWaalsContact OD1-C 3.23Å; D70-D72 VanDerWaalsContact OD1-CA 3.3Å; D70-D72 WeakPolarHBondContact OD1-CA 3.5Å; D70-D72 WeakPolarHBondContact OD1-CB 3.48Å; D70-D72 PolarHBondContact OD1-N 3.17Å; D72-N74 VanDerWaalsContact C-N 3.3Å; D72-N74 WeakPolarHBondContact CB-ND2 3.46Å; D72-N74 PolarHBondContact O-N 3.47Å
73	L	97.2	Very high	97.4	Very high	51 Å²	51	41 Å²	41	27%	0.267	21%	0.213	S	C	.	.	S	Bend	trans	68.6	21	178.2	-45.7	178.5	0	0	0	114.2	D70 I193 E194	D70-L73 WeakPolarHBondContact O-CA 3.15Å; D70-L73 PolarHBondContact O-N 3.41Å; D70-L73 PolarHBondContact OD1-N 2.85Å; L73-I193 HydrophobicContact CD2-CB 3.77Å; L73-I193 HydrophobicContact CD2-CD1 3.97Å; L73-I193 HydrophobicContact CD2-CG1 4.4Å; L73-I193 HydrophobicContact CD2-CG2 3.77Å; L73-E194 HydrophobicContact CD1-CG 4.28Å
74	N	98	Very high	97.1	Very high	90 Å²	90	45.8 Å²	45.8	48%	0.481	24%	0.236	S	C	.	.			trans	-86.2	137.6	172.7	-53.5	-68.3	0	0	0	110.1	V69 D70 D72 V76	V69-N74 CarbonylContact C-O 3.6Å; V69-N74 WeakPolarHBondContact CA-O 3.35Å; D70-N74 PolarHBondContact N-O 2.64Å; D70-N74 PolarHBondContact OD1-N 2.66Å; D70-N74 PolarHBondContact OD1-ND2 3.48Å; D70-N74 PolarHBondContact OD2-ND2 3.37Å; D72-N74 VanDerWaalsContact C-N 3.3Å; D72-N74 WeakPolarHBondContact CB-ND2 3.46Å; D72-N74 PolarHBondContact O-N 3.47Å; N74-V76 PolarHBondContact O-N 2.83Å
75	V	98	Very high	96.9	Very high	56 Å²	56	48 Å²	48	34%	0.339	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.9	117.4	171.2	179.2	0	0	0	0	108.7	T67 V68 V69 E78 K186	T67-V75 HydrophobicContact CG2-CG1 4.49Å; V68-V75 WeakPolarHBondContact O-CA 3.47Å; V69-V75 HydrophobicContact CG1-CG2 4.04Å; V75-E78 HydrophobicContact CG1-CB 3.87Å; V75-K186 HydrophobicContact CG2-CB 4.36Å; V75-K186 HydrophobicContact CG2-CD 3.58Å; V75-K186 HydrophobicContact CG2-CG 3.62Å
76	V	97.4	Very high	96.8	Very high	58 Å²	58	52.8 Å²	52.8	35%	0.352	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	-21.7	178.5	-66.9	0	0	0	0	112.5	F48 V68 D70 N74 L119	F48-V76 HydrophobicContact CD1-CG2 3.9Å; F48-V76 HydrophobicContact CE1-CG1 4.44Å; F48-V76 HydrophobicContact CE1-CG2 3.83Å; V68-V76 HydrophobicContact CB-CG2 3.98Å; V68-V76 HydrophobicContact CG1-CG2 3.67Å; V68-V76 WeakPolarHBondContact O-CG2 3.4Å; V68-V76 PolarHBondContact O-N 3.31Å; D70-V76 HydrophobicContact CB-CG1 3.91Å; N74-V76 PolarHBondContact O-N 2.83Å; V76-L119 HydrophobicContact CG2-CD2 3.87Å
77	C	97.4	Very high	96.7	Very high	2 Å²	2	54.8 Å²	54.8	1%	0.014	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148	131.7	172	174.5	0	0	0	0	109.3	T67 V68 L116 L119	T67-C77 CarbonylContact C-O 3.56Å; T67-C77 WeakPolarHBondContact CA-O 3.43Å; V68-C77 HydrophobicContact CB-CB 3.98Å; V68-C77 HydrophobicContact CG2-CB 4.03Å; V68-C77 PolarHBondContact N-O 3.14Å; V68-C77 PolarHBondContact O-N 3.32Å; C77-L116 HydrophobicContact CB-CD2 4.43Å; C77-L119 HydrophobicContact CB-CD2 4.39Å
78	E	97.6	Very high	96.6	Very high	97 Å²	97	57 Å²	57	45%	0.453	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144	122	169.5	-175.5	175.9	-84.5	0	0	108.1	V66 V75	V66-E78 VanDerWaalsContact O-CA 3.3Å; V66-E78 WeakPolarHBondContact O-CA 3.18Å; V75-E78 HydrophobicContact CG1-CB 3.87Å
79	R	97.6	Very high	96.5	Very high	87 Å²	87	59.4 Å²	59.4	33%	0.328	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	129.8	-176.2	-60	-69.4	175.4	-106	3.3	110.6	R65 V66 V81 V112 E115	R65-R79 VanDerWaalsContact CA-O 3.29Å; R65-R79 WeakPolarHBondContact CA-O 3.27Å; V66-R79 HydrophobicContact CG1-CB 3.86Å; V66-R79 HydrophobicContact CG1-CG 4.47Å; V66-R79 PolarHBondContact N-O 2.86Å; V66-R79 PolarHBondContact O-N 2.93Å; R79-V81 HydrophobicContact CB-CG2 4.41Å; R79-V112 HydrophobicContact CB-CG2 4.17Å; R79-V112 HydrophobicContact CG-CG2 4.39Å; R79-E115 IonicContact CZ-OE1 2.98Å; R79-E115 IonicContact CZ-OE2 3.49Å; R79-E115 IonicContact NE-OE1 4Å; R79-E115 IonicContact NE-OE2 3.4Å; R79-E115 PolarHBondContact NE-OE2 3.24Å; R79-E115 IonicContact NH2-OE1 2.65Å; R79-E115 PolarHBondContact NH2-OE1 2.88Å; R79-E115 IonicContact NH2-OE2 2.9Å; R79-E115 PolarHBondContact NH2-OE2 3.39Å
80	T	97.9	Very high	96.3	Very high	56 Å²	56	59.7 Å²	59.7	34%	0.344	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	125.4	159.5	-51.3	0	0	0	0	108.9	A64 M97 A105	A64-T80 CarbonylContact O-C 3.46Å; A64-T80 WeakPolarHBondContact O-CA 3.21Å; A64-T80 WeakPolarHBondContact O-CG2 3.47Å; T80-M97 HydrophobicContact CG2-CE 3.56Å; T80-A105 HydrophobicContact CG2-CB 3.9Å
81	V	98	Very high	96	Very high	1 Å²	1	60 Å²	60	1%	0.006	32%	0.321	C	S	.	.	B	Isolated β-bridge	trans	-108.7	134.7	-170.9	-171.4	0	0	0	0	109.7	L63 A64 V66 R79 P83 V107 V112	L63-V81 HydrophobicContact CD2-CB 4.3Å; L63-V81 HydrophobicContact CD2-CG1 4.28Å; L63-V81 HydrophobicContact CD2-CG2 3.8Å; L63-V81 HydrophobicContact CG-CB 4.25Å; L63-V81 HydrophobicContact CG-CG2 4.03Å; A64-V81 PolarHBondContact O-N 2.94Å; V66-V81 HydrophobicContact CG1-CG2 4.3Å; R79-V81 HydrophobicContact CB-CG2 4.41Å; V81-P83 VanDerWaalsContact O-CD 3.29Å; V81-P83 WeakPolarHBondContact O-CD 3.46Å; V81-V107 WeakPolarHBondContact CA-O 3.44Å; V81-V112 HydrophobicContact CG2-CG2 3.63Å
82	K	97.5	Very high	95.9	Very high	110 Å²	110	61.8 Å²	61.8	48%	0.478	33%	0.327	S	S	.	.			trans	-73.4	113.2	170.4	-173.7	178.4	-179.6	174.5	0	108.6	A105 V107	K82-A105 HydrophobicContact CB-CB 4.09Å; K82-A105 WeakPolarHBondContact CB-O 3.42Å; K82-V107 PolarHBondContact N-O 3.39Å
83	P	95.4	Very high	95.5	Very high	18 Å²	18	64.2 Å²	64.2	12%	0.117	33%	0.327	C	S	.	.			trans	-72.6	157	-178.6	33.5	-38	0	0	0	110.6	V55 T57 V81 V102	V55-P83 HydrophobicContact CG2-CB 4Å; V55-P83 HydrophobicContact CG2-CG 4.06Å; T57-P83 HydrophobicContact CG2-CB 3.78Å; T57-P83 HydrophobicContact CG2-CG 4.07Å; V81-P83 VanDerWaalsContact O-CD 3.29Å; V81-P83 WeakPolarHBondContact O-CD 3.46Å; P83-V102 VanDerWaalsContact CD-CG1 3.49Å; P83-V102 HydrophobicContact CG-CG1 3.57Å
84	E	91.1	Very high	95	Very high	109 Å²	109	66 Å²	66	51%	0.509	33%	0.333	S	S	.	.	S	Bend	trans	-81.5	138	172.8	-66.6	-176.9	177.1	0	0	110.9	T57	T57-E84 WeakPolarHBondContact CB-O 3.49Å; T57-E84 PolarHBondContact OG1-O 3.1Å
85	G	91.9	Very high	94.7	Very high	46 Å²	46	61.8 Å²	61.8	47%	0.474	31%	0.31	S	S	.	.	S	Bend	trans	87.7	-173.5	-177.7	0	0	0	0	0	113.6
86	E	94.9	Very high	94.4	Very high	143 Å²	143	59.9 Å²	59.9	67%	0.668	30%	0.301	S	S	*	.			trans	-87.7	132.6	-179.6	-64.4	177.5	171.8	0	0	109.7	T57 T58 L88	T57-E86 CarbonylContact C-O 3.57Å; T57-E86 WeakPolarHBondContact CA-O 3.3Å; T57-E86 WeakPolarHBondContact CB-O 3.33Å; T58-E86 HydrophobicContact CG2-CB 3.89Å; T58-E86 PolarHBondContact N-O 2.87Å; T58-E86 PolarHBondContact OG1-N 2.8Å; T58-E86 VanDerWaalsContact OG1-N 3.08Å; E86-L88 PolarHBondContact O-N 2.89Å
87	L	96.4	Very high	94.2	Very high	42 Å²	42	57.2 Å²	57.2	22%	0.22	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.3	123	178.5	-179.7	63.2	0	0	0	110.7	V55 V102 L103	V55-L87 HydrophobicContact CB-CD1 3.96Å; V55-L87 HydrophobicContact CG2-CD1 4.02Å; L87-V102 HydrophobicContact CD1-CG1 4.16Å; L87-V102 HydrophobicContact CD2-CB 4.11Å; L87-V102 HydrophobicContact CD2-CG1 3.95Å; L87-L103 HydrophobicContact CD2-CD2 4.41Å; L87-L103 HydrophobicContact CD2-CG 4.32Å
88	L	95.9	Very high	94.1	Very high	47 Å²	47	59.8 Å²	59.8	25%	0.246	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	-45.4	178.3	-62.4	179.8	0	0	0	111.9	Y22 Y56 T58 E86	Y22-L88 HydrophobicContact CD1-CD2 4.14Å; Y22-L88 HydrophobicContact CD2-CB 4.06Å; Y22-L88 HydrophobicContact CD2-CD2 3.96Å; Y22-L88 HydrophobicContact CE1-CD2 4.15Å; Y22-L88 HydrophobicContact CE2-CD2 3.96Å; Y22-L88 HydrophobicContact CG-CB 4.34Å; Y22-L88 HydrophobicContact CG-CD2 4.05Å; Y56-L88 WeakPolarHBondContact O-CB 3.24Å; Y56-L88 PolarHBondContact O-N 3Å; T58-L88 HydrophobicContact CG2-CD1 4.15Å; T58-L88 HydrophobicContact CG2-CD2 3.78Å; T58-L88 HydrophobicContact CG2-CG 4.07Å; E86-L88 PolarHBondContact O-N 2.89Å
89	D	95.6	Very high	94	Very high	51 Å²	51	58.3 Å²	58.3	27%	0.273	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.1	128.6	180	-170	-17.3	0	0	0	109.6	V24 Y56 N91	V24-D89 HydrophobicContact CG1-CB 4.13Å; Y56-D89 HydrophobicContact CD2-CB 4.17Å; Y56-D89 PolarHBondContact N-O 3.4Å; Y56-D89 PolarHBondContact O-N 3.06Å; D89-N91 PolarHBondContact O-N 2.98Å; D89-N91 PolarHBondContact OD1-N 3.5Å
90	C	94.8	Very high	93.9	Very high	5 Å²	5	60.9 Å²	60.9	3%	0.034	32%	0.317	C	S	.	.			trans	-72.6	-14.2	176.4	-71.4	0	0	0	0	113	V55 T92 S95 M97 S99	V55-C90 WeakPolarHBondContact CG1-O 3.48Å; C90-T92 WeakPolarHBondContact CB-OG1 3.43Å; C90-T92 PolarHBondContact O-N 2.79Å; C90-T92 VanDerWaalsContact O-N 3.15Å; C90-S95 PolarHBondContact O-OG 3.31Å; C90-M97 WeakPolarHBondContact CB-O 3.43Å; C90-S99 VanDerWaalsContact SG-CA 3.5Å; C90-S99 PolarHBondContact SG-N 3.45Å; C90-S99 PolarHBondContact SG-OG 2.87Å; C90-S99 VanDerWaalsContact SG-OG 3.37Å
91	N	92.2	Very high	93.8	Very high	37 Å²	37	62.8 Å²	62.8	20%	0.198	32%	0.323	C	S	.	.			trans	55.1	31.4	-174	-162	37.1	0	0	0	112.2	Y56 D89 R93 F94 S95	Y56-N91 HydrophobicContact CD2-CB 4.06Å; Y56-N91 HydrophobicContact CE2-CB 3.83Å; D89-N91 PolarHBondContact O-N 2.98Å; D89-N91 PolarHBondContact OD1-N 3.5Å; N91-R93 PolarHBondContact O-N 3.21Å; N91-F94 PolarHBondContact O-N 3.04Å; N91-F94 WeakPolarHBondContact OD1-CD2 3.41Å; N91-S95 VanDerWaalsContact C-OG 3.32Å; N91-S95 PolarHBondContact O-N 2.85Å; N91-S95 PolarHBondContact O-OG 3.37Å
92	T	92.1	Very high	93.7	Very high	60 Å²	60	62.8 Å²	62.8	37%	0.368	32%	0.323	S	S	.	.	H	α-helix	trans	-52.7	-33.3	-165.2	-53.4	0	0	0	0	113.8	C90 F94 S95 G96 M97	C90-T92 WeakPolarHBondContact CB-OG1 3.43Å; C90-T92 PolarHBondContact O-N 2.79Å; C90-T92 VanDerWaalsContact O-N 3.15Å; T92-F94 PolarHBondContact O-N 2.84Å; T92-F94 VanDerWaalsContact O-N 3.15Å; T92-S95 WeakPolarHBondContact CA-OG 3.3Å; T92-G96 WeakPolarHBondContact O-CA 3.34Å; T92-G96 PolarHBondContact O-N 2.89Å; T92-M97 WeakPolarHBondContact CB-O 3.44Å; T92-M97 WeakPolarHBondContact CG2-O 3.45Å; T92-M97 PolarHBondContact OG1-O 3.41Å
93	R	88.2	Confident	93.5	Very high	183 Å²	183	63.1 Å²	63.1	69%	0.691	33%	0.33	S	S	*	.	H	α-helix	trans	-54.4	-32.9	176.4	176.1	179.6	175.2	-172.8	-0.8	112.9	N91	N91-R93 PolarHBondContact O-N 3.21Å
94	F	88.1	Confident	93.6	Very high	89 Å²	89	67.1 Å²	67.1	39%	0.39	35%	0.35	S	S	.	.	H	α-helix	trans	-108	-47.4	-180	-56.8	-74.1	0	0	0	110.5	N91 T92 G96 H183	N91-F94 PolarHBondContact O-N 3.04Å; N91-F94 WeakPolarHBondContact OD1-CD2 3.41Å; T92-F94 PolarHBondContact O-N 2.84Å; T92-F94 VanDerWaalsContact O-N 3.15Å; F94-G96 VanDerWaalsContact C-N 3.34Å; F94-G96 PolarHBondContact O-N 3.18Å; F94-H183 PolarHBondContact O-N 3.24Å
95	S	90.1	Very high	93.9	Very high	0 Å²	0	62.3 Å²	62.3	0%	0	33%	0.329	C	S	.	.	H	α-helix	trans	-74.2	-22.1	-173.3	69	0	0	0	0	115	E53 C90 N91 T92 M97	E53-S95 WeakPolarHBondContact CG-O 3.36Å; E53-S95 VanDerWaalsContact OE2-CA 3.32Å; E53-S95 WeakPolarHBondContact OE2-CA 3.45Å; C90-S95 PolarHBondContact O-OG 3.31Å; N91-S95 VanDerWaalsContact C-OG 3.32Å; N91-S95 PolarHBondContact O-N 2.85Å; N91-S95 PolarHBondContact O-OG 3.37Å; T92-S95 WeakPolarHBondContact CA-OG 3.3Å; S95-M97 PolarHBondContact O-N 3.18Å; S95-M97 WeakPolarHBondContact OG-CB 3.41Å; S95-M97 PolarHBondContact OG-N 3.16Å; S95-M97 VanDerWaalsContact OG-N 3.11Å
96	G	92.3	Very high	94.2	Very high	16 Å²	16	67.2 Å²	67.2	17%	0.165	34%	0.339	C	S	.	.			trans	58.9	10.9	-166.7	0	0	0	0	0	116.1	T92 F94 S181	T92-G96 WeakPolarHBondContact O-CA 3.34Å; T92-G96 PolarHBondContact O-N 2.89Å; F94-G96 VanDerWaalsContact C-N 3.34Å; F94-G96 PolarHBondContact O-N 3.18Å; G96-S181 WeakPolarHBondContact CA-O 3.16Å
97	M	94.3	Very high	94.3	Very high	3 Å²	3	62.4 Å²	62.4	2%	0.015	32%	0.32	C	S	.	.			trans	-83.6	136	179.1	-65.5	-55.3	-52.9	0	0	111.1	E53 V55 A64 R65 T80 C90 T92 S95 M101 V102	E53-M97 HydrophobicContact CB-CG 4.44Å; V55-M97 HydrophobicContact CG1-CB 4.23Å; V55-M97 HydrophobicContact CG1-CG 4.44Å; A64-M97 HydrophobicContact CB-CG 3.95Å; R65-M97 HydrophobicContact CB-SD 4Å; T80-M97 HydrophobicContact CG2-CE 3.56Å; C90-M97 WeakPolarHBondContact CB-O 3.43Å; T92-M97 WeakPolarHBondContact CB-O 3.44Å; T92-M97 WeakPolarHBondContact CG2-O 3.45Å; T92-M97 PolarHBondContact OG1-O 3.41Å; S95-M97 PolarHBondContact O-N 3.18Å; S95-M97 WeakPolarHBondContact OG-CB 3.41Å; S95-M97 PolarHBondContact OG-N 3.16Å; S95-M97 VanDerWaalsContact OG-N 3.11Å; M97-M101 HydrophobicContact CE-CB 3.59Å; M97-M101 HydrophobicContact CE-SD 4.28Å; M97-V102 HydrophobicContact CB-CG2 3.93Å; M97-V102 HydrophobicContact CE-CG2 3.72Å; M97-V102 HydrophobicContact CG-CG2 4.5Å
98	T	94.6	Very high	94.4	Very high	55 Å²	55	63.1 Å²	63.1	34%	0.337	33%	0.326	S	S	.	.			trans	-99.2	154.5	168.2	73.4	0	0	0	0	110.7	E100 M101 V102	T98-E100 PolarHBondContact O-N 3.45Å; T98-M101 HydrophobicContact CG2-CE 4.29Å; T98-M101 HydrophobicContact CG2-SD 4.18Å; T98-M101 PolarHBondContact O-N 2.84Å; T98-M101 VanDerWaalsContact O-N 3.1Å; T98-M101 VanDerWaalsContact OG1-CG 3.28Å; T98-M101 WeakPolarHBondContact OG1-CG 3.3Å; T98-M101 PolarHBondContact OG1-N 3.46Å; T98-V102 WeakPolarHBondContact O-CG2 3.4Å; T98-V102 PolarHBondContact O-N 3.28Å; T98-V102 VanDerWaalsContact O-N 3.07Å
99	S	94.7	Very high	94.5	Very high	67 Å²	67	61.9 Å²	61.9	47%	0.469	32%	0.32	S	S	.	.	H	α-helix	trans	-56.9	-35.7	176.5	-52.7	0	0	0	0	111.9	C90 V102 L103	C90-S99 VanDerWaalsContact SG-CA 3.5Å; C90-S99 PolarHBondContact SG-N 3.45Å; C90-S99 PolarHBondContact SG-OG 2.87Å; C90-S99 VanDerWaalsContact SG-OG 3.37Å; S99-V102 PolarHBondContact O-N 3.21Å; S99-L103 VanDerWaalsContact O-CB 3.23Å; S99-L103 WeakPolarHBondContact O-CB 3.49Å; S99-L103 WeakPolarHBondContact O-CG 3.27Å; S99-L103 PolarHBondContact O-N 2.88Å
100	E	96.2	Very high	94.6	Very high	141 Å²	141	62.3 Å²	62.3	66%	0.659	33%	0.33	S	S	*	.	H	α-helix	trans	-63.4	-47	176.4	-176.8	177.4	-178.9	0	0	111.9	T98 V102 L103 N104	T98-E100 PolarHBondContact O-N 3.45Å; E100-V102 VanDerWaalsContact C-N 3.33Å; E100-V102 PolarHBondContact O-N 2.93Å; E100-L103 PolarHBondContact O-N 3.31Å; E100-N104 VanDerWaalsContact CG-ND2 3.29Å; E100-N104 WeakPolarHBondContact CG-ND2 3.3Å; E100-N104 WeakPolarHBondContact O-CB 3.19Å; E100-N104 VanDerWaalsContact O-CG 3.24Å; E100-N104 PolarHBondContact O-N 3.14Å; E100-N104 PolarHBondContact O-ND2 3.42Å
101	M	95.4	Very high	94.7	Very high	96 Å²	96	65.9 Å²	65.9	47%	0.473	35%	0.349	S	S	.	.	H	α-helix	trans	-59.4	-45.6	177.4	-69.7	168.8	-179.6	0	0	111.4	M97 T98 A105	M97-M101 HydrophobicContact CE-CB 3.59Å; M97-M101 HydrophobicContact CE-SD 4.28Å; T98-M101 HydrophobicContact CG2-CE 4.29Å; T98-M101 HydrophobicContact CG2-SD 4.18Å; T98-M101 PolarHBondContact O-N 2.84Å; T98-M101 VanDerWaalsContact O-N 3.1Å; T98-M101 VanDerWaalsContact OG1-CG 3.28Å; T98-M101 WeakPolarHBondContact OG1-CG 3.3Å; T98-M101 PolarHBondContact OG1-N 3.46Å; M101-A105 PolarHBondContact O-N 3.39Å
102	V	96.5	Very high	95	Very high	1 Å²	1	64.1 Å²	64.1	1%	0.006	34%	0.339	C	S	.	.	H	α-helix	trans	-68.4	-43.8	-177.6	179.2	0	0	0	0	111.5	V55 A64 P83 L87 M97 T98 S99 E100 A105	V55-V102 HydrophobicContact CG1-CG2 4.07Å; A64-V102 HydrophobicContact CB-CG2 4.43Å; P83-V102 VanDerWaalsContact CD-CG1 3.49Å; P83-V102 HydrophobicContact CG-CG1 3.57Å; L87-V102 HydrophobicContact CD1-CG1 4.16Å; L87-V102 HydrophobicContact CD2-CB 4.11Å; L87-V102 HydrophobicContact CD2-CG1 3.95Å; M97-V102 HydrophobicContact CB-CG2 3.93Å; M97-V102 HydrophobicContact CE-CG2 3.72Å; M97-V102 HydrophobicContact CG-CG2 4.5Å; T98-V102 WeakPolarHBondContact O-CG2 3.4Å; T98-V102 PolarHBondContact O-N 3.28Å; T98-V102 VanDerWaalsContact O-N 3.07Å; S99-V102 PolarHBondContact O-N 3.21Å; E100-V102 VanDerWaalsContact C-N 3.33Å; E100-V102 PolarHBondContact O-N 2.93Å; V102-A105 WeakPolarHBondContact O-CB 3.31Å; V102-A105 PolarHBondContact O-N 3.28Å
103	L	93.9	Very high	95.2	Very high	117 Å²	117	62.2 Å²	62.2	61%	0.613	33%	0.326	S	S	*	.	H	α-helix	trans	-73.5	-29.1	-178.3	-67.8	173.4	0	0	0	112.8	L87 S99 E100	L87-L103 HydrophobicContact CD2-CD2 4.41Å; L87-L103 HydrophobicContact CD2-CG 4.32Å; S99-L103 VanDerWaalsContact O-CB 3.23Å; S99-L103 WeakPolarHBondContact O-CB 3.49Å; S99-L103 WeakPolarHBondContact O-CG 3.27Å; S99-L103 PolarHBondContact O-N 2.88Å; E100-L103 PolarHBondContact O-N 3.31Å
104	N	97	Very high	95.6	Very high	101 Å²	101	59.9 Å²	59.9	54%	0.54	32%	0.321	S	S	.	.	H	α-helix	trans	-83.6	-12.4	176.9	-70.6	-25.1	0	0	0	113.3	E100 Q106	E100-N104 VanDerWaalsContact CG-ND2 3.29Å; E100-N104 WeakPolarHBondContact CG-ND2 3.3Å; E100-N104 WeakPolarHBondContact O-CB 3.19Å; E100-N104 VanDerWaalsContact O-CG 3.24Å; E100-N104 PolarHBondContact O-N 3.14Å; E100-N104 PolarHBondContact O-ND2 3.42Å; N104-Q106 PolarHBondContact O-N 2.85Å; N104-Q106 PolarHBondContact O-NE2 3.18Å
105	A	97.2	Very high	96	Very high	8 Å²	8	58.4 Å²	58.4	7%	0.066	32%	0.315	C	S	.	.			trans	-58.4	134.5	178.2	0	0	0	0	0	111.4	T80 K82 M101 V102	T80-A105 HydrophobicContact CG2-CB 3.9Å; K82-A105 HydrophobicContact CB-CB 4.09Å; K82-A105 WeakPolarHBondContact CB-O 3.42Å; M101-A105 PolarHBondContact O-N 3.39Å; V102-A105 WeakPolarHBondContact O-CB 3.31Å; V102-A105 PolarHBondContact O-N 3.28Å
106	Q	97.3	Very high	96.3	Very high	149 Å²	149	58.4 Å²	58.4	70%	0.696	32%	0.315	S	S	*	.			trans	-109.9	-24.5	179.2	-59.2	-55.9	-49	0	0	112.7	N104 T108	N104-Q106 PolarHBondContact O-N 2.85Å; N104-Q106 PolarHBondContact O-NE2 3.18Å; Q106-T108 PolarHBondContact O-N 3.01Å
107	V	98.2	Very high	96.4	Very high	43 Å²	43	59.4 Å²	59.4	26%	0.261	32%	0.318	S	S	.	.	B	Isolated β-bridge	trans	-71.5	126.3	-179.1	-176.7	0	0	0	0	108.7	V81 K82 D111 V112	V81-V107 WeakPolarHBondContact CA-O 3.44Å; K82-V107 PolarHBondContact N-O 3.39Å; V107-D111 HydrophobicContact CG1-CB 3.82Å; V107-V112 HydrophobicContact CG1-CG2 3.7Å
108	T	97.8	Very high	96.2	Very high	57 Å²	57	66.2 Å²	66.2	35%	0.35	35%	0.35	S	S	.	.			trans	-90	165.5	177.9	68.2	0	0	0	0	111.5	Q106 A110 D111 V112	Q106-T108 PolarHBondContact O-N 3.01Å; T108-A110 PolarHBondContact O-N 2.82Å; T108-A110 PolarHBondContact OG1-N 2.83Å; T108-D111 WeakPolarHBondContact CB-OD2 3.28Å; T108-D111 PolarHBondContact N-OD2 2.87Å; T108-D111 PolarHBondContact O-N 2.94Å; T108-D111 VanDerWaalsContact O-N 3.17Å; T108-D111 VanDerWaalsContact OG1-CG 3.22Å; T108-D111 PolarHBondContact OG1-N 3.22Å; T108-D111 PolarHBondContact OG1-OD2 3.01Å; T108-V112 PolarHBondContact O-N 3Å; T108-V112 VanDerWaalsContact O-N 3.14Å
109	L	97.4	Very high	96.2	Very high	21 Å²	21	66.1 Å²	66.1	11%	0.11	35%	0.347	C	S	.	.	H	α-helix	trans	-56.2	-39	171.3	179.2	59.5	0	0	0	111.8	L63 D111 V112 Q113 K139	L63-L109 HydrophobicContact CD2-CD1 3.86Å; L109-D111 VanDerWaalsContact C-N 3.34Å; L109-D111 PolarHBondContact O-N 2.9Å; L109-V112 PolarHBondContact O-N 2.87Å; L109-Q113 HydrophobicContact CD1-CG 4.35Å; L109-Q113 HydrophobicContact CG-CG 4.39Å; L109-Q113 WeakPolarHBondContact O-CB 3.21Å; L109-Q113 VanDerWaalsContact O-CG 3.3Å; L109-Q113 WeakPolarHBondContact O-CG 3.33Å; L109-Q113 PolarHBondContact O-N 2.62Å; L109-K139 HydrophobicContact CD2-CD 3.79Å; L109-K139 HydrophobicContact CD2-CG 4.18Å
110	A	97.5	Very high	96.1	Very high	59 Å²	59	63 Å²	63	49%	0.488	33%	0.325	S	S	.	.	H	α-helix	trans	-64.7	-36.6	178.4	0	0	0	0	0	112.7	T108 Q113 K114	T108-A110 PolarHBondContact O-N 2.82Å; T108-A110 PolarHBondContact OG1-N 2.83Å; A110-Q113 PolarHBondContact O-N 3.01Å; A110-K114 WeakPolarHBondContact O-CB 3.38Å; A110-K114 PolarHBondContact O-N 2.98Å
111	D	98	Very high	95.9	Very high	81 Å²	81	56.6 Å²	56.6	43%	0.433	30%	0.297	S	S	.	.	H	α-helix	trans	-65.1	-46	175.2	-61.3	-50.5	0	0	0	110.8	V107 T108 L109 K114 E115	V107-D111 HydrophobicContact CG1-CB 3.82Å; T108-D111 WeakPolarHBondContact CB-OD2 3.28Å; T108-D111 PolarHBondContact N-OD2 2.87Å; T108-D111 PolarHBondContact O-N 2.94Å; T108-D111 VanDerWaalsContact O-N 3.17Å; T108-D111 VanDerWaalsContact OG1-CG 3.22Å; T108-D111 PolarHBondContact OG1-N 3.22Å; T108-D111 PolarHBondContact OG1-OD2 3.01Å; L109-D111 VanDerWaalsContact C-N 3.34Å; L109-D111 PolarHBondContact O-N 2.9Å; D111-K114 PolarHBondContact O-N 3.11Å; D111-E115 PolarHBondContact O-N 2.67Å
112	V	97.9	Very high	95.7	Very high	0 Å²	0	56.3 Å²	56.3	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-61.2	-45.8	175	171	0	0	0	0	111.2	L63 V66 R79 V81 V107 T108 L109 K114 E115 L116 L138	L63-V112 HydrophobicContact CD2-CG1 4.42Å; V66-V112 HydrophobicContact CG1-CG1 3.77Å; V66-V112 HydrophobicContact CG1-CG2 4.17Å; R79-V112 HydrophobicContact CB-CG2 4.17Å; R79-V112 HydrophobicContact CG-CG2 4.39Å; V81-V112 HydrophobicContact CG2-CG2 3.63Å; V107-V112 HydrophobicContact CG1-CG2 3.7Å; T108-V112 PolarHBondContact O-N 3Å; T108-V112 VanDerWaalsContact O-N 3.14Å; L109-V112 PolarHBondContact O-N 2.87Å; V112-K114 VanDerWaalsContact C-N 3.28Å; V112-K114 PolarHBondContact O-N 2.91Å; V112-E115 PolarHBondContact O-N 3.45Å; V112-L116 HydrophobicContact CG1-CD1 3.61Å; V112-L116 HydrophobicContact CG1-CG 3.93Å; V112-L116 WeakPolarHBondContact O-CB 3.35Å; V112-L116 WeakPolarHBondContact O-CG 3.36Å; V112-L116 PolarHBondContact O-N 2.8Å; V112-L138 HydrophobicContact CG1-CD2 3.72Å
113	Q	97.7	Very high	95.5	Very high	20 Å²	20	58 Å²	58	9%	0.093	30%	0.304	C	S	.	.	H	α-helix	trans	-57	-43.6	176.9	-79.7	-179.4	-36.4	0	0	111.5	N35 V37 L109 A110 T117 L138 K139 I140	N35-Q113 PolarHBondContact O-NE2 3Å; V37-Q113 HydrophobicContact CG2-CB 3.98Å; V37-Q113 HydrophobicContact CG2-CG 3.94Å; L109-Q113 HydrophobicContact CD1-CG 4.35Å; L109-Q113 HydrophobicContact CG-CG 4.39Å; L109-Q113 WeakPolarHBondContact O-CB 3.21Å; L109-Q113 VanDerWaalsContact O-CG 3.3Å; L109-Q113 WeakPolarHBondContact O-CG 3.33Å; L109-Q113 PolarHBondContact O-N 2.62Å; A110-Q113 PolarHBondContact O-N 3.01Å; Q113-T117 VanDerWaalsContact O-CB 3.3Å; Q113-T117 WeakPolarHBondContact O-CB 3.49Å; Q113-T117 WeakPolarHBondContact O-CG2 3.45Å; Q113-T117 PolarHBondContact O-N 2.78Å; Q113-T117 PolarHBondContact O-OG1 2.77Å; Q113-L138 WeakPolarHBondContact CG-O 3.33Å; Q113-L138 PolarHBondContact NE2-O 3.43Å; Q113-K139 PolarHBondContact NE2-O 3.33Å; Q113-I140 HydrophobicContact CG-CG1 4.37Å
114	K	96.3	Very high	95.6	Very high	134 Å²	134	52.5 Å²	52.5	58%	0.583	28%	0.275	S	S	*	.	H	α-helix	trans	-63.8	-44	177	-176.7	-177.6	176	-173.9	0	111.9	A110 D111 V112 T117 Q118	A110-K114 WeakPolarHBondContact O-CB 3.38Å; A110-K114 PolarHBondContact O-N 2.98Å; D111-K114 PolarHBondContact O-N 3.11Å; V112-K114 VanDerWaalsContact C-N 3.28Å; V112-K114 PolarHBondContact O-N 2.91Å; K114-T117 PolarHBondContact O-OG1 3.1Å; K114-Q118 VanDerWaalsContact O-CG 3.26Å; K114-Q118 WeakPolarHBondContact O-CG 3.4Å; K114-Q118 PolarHBondContact O-N 2.92Å
115	E	96	Very high	95.6	Very high	57 Å²	57	50.8 Å²	50.8	27%	0.266	27%	0.265	S	S	.	.	H	α-helix	trans	-64.5	-49.1	178.2	-177.6	166.2	-162.5	0	0	111.5	R79 D111 V112 Q118 L119	R79-E115 IonicContact CZ-OE1 2.98Å; R79-E115 IonicContact CZ-OE2 3.49Å; R79-E115 IonicContact NE-OE1 4Å; R79-E115 IonicContact NE-OE2 3.4Å; R79-E115 PolarHBondContact NE-OE2 3.24Å; R79-E115 IonicContact NH2-OE1 2.65Å; R79-E115 PolarHBondContact NH2-OE1 2.88Å; R79-E115 IonicContact NH2-OE2 2.9Å; R79-E115 PolarHBondContact NH2-OE2 3.39Å; D111-E115 PolarHBondContact O-N 2.67Å; V112-E115 PolarHBondContact O-N 3.45Å; E115-Q118 WeakPolarHBondContact O-CB 3.31Å; E115-Q118 PolarHBondContact O-N 3.33Å; E115-L119 PolarHBondContact O-N 3.48Å
116	L	96.3	Very high	95.6	Very high	0 Å²	0	50.4 Å²	50.4	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-70.1	-34.2	-178.3	-65.7	-174.9	0	0	0	113.2	V66 V68 C77 V112 Q118 L119 F120 L138 I140	V66-L116 HydrophobicContact CG2-CD1 4.17Å; V68-L116 HydrophobicContact CG2-CD2 3.69Å; C77-L116 HydrophobicContact CB-CD2 4.43Å; V112-L116 HydrophobicContact CG1-CD1 3.61Å; V112-L116 HydrophobicContact CG1-CG 3.93Å; V112-L116 WeakPolarHBondContact O-CB 3.35Å; V112-L116 WeakPolarHBondContact O-CG 3.36Å; V112-L116 PolarHBondContact O-N 2.8Å; L116-Q118 PolarHBondContact O-N 2.94Å; L116-L119 HydrophobicContact CD2-CD2 4.42Å; L116-L119 PolarHBondContact O-N 2.92Å; L116-F120 HydrophobicContact CB-CD2 3.98Å; L116-F120 HydrophobicContact CB-CE2 3.86Å; L116-F120 HydrophobicContact CD1-CE2 4.05Å; L116-F120 HydrophobicContact CD2-CE2 3.95Å; L116-F120 HydrophobicContact CD2-CZ 3.88Å; L116-F120 HydrophobicContact CG-CE2 4.17Å; L116-F120 VanDerWaalsContact O-CB 3.25Å; L116-F120 WeakPolarHBondContact O-CB 3.09Å; L116-F120 WeakPolarHBondContact O-CD2 3.47Å; L116-F120 VanDerWaalsContact O-CG 3.28Å; L116-F120 WeakPolarHBondContact O-CG 3.37Å; L116-F120 PolarHBondContact O-N 2.95Å; L116-L138 HydrophobicContact CD1-CD1 4.09Å; L116-L138 HydrophobicContact CD1-CD2 3.66Å; L116-I140 HydrophobicContact CB-CD1 3.87Å; L116-I140 HydrophobicContact CD1-CD1 3.86Å
117	T	93.7	Very high	95.7	Very high	37 Å²	37	43.9 Å²	43.9	23%	0.227	23%	0.232	C	C	.	.	H	α-helix	trans	-72.2	-19.2	175.6	52.4	0	0	0	0	113.3	V37 Q113 K114	V37-T117 HydrophobicContact CB-CG2 4.31Å; V37-T117 HydrophobicContact CG2-CG2 3.6Å; Q113-T117 VanDerWaalsContact O-CB 3.3Å; Q113-T117 WeakPolarHBondContact O-CB 3.49Å; Q113-T117 WeakPolarHBondContact O-CG2 3.45Å; Q113-T117 PolarHBondContact O-N 2.78Å; Q113-T117 PolarHBondContact O-OG1 2.77Å; K114-T117 PolarHBondContact O-OG1 3.1Å
118	Q	91.6	Very high	95.7	Very high	147 Å²	147	41.9 Å²	41.9	69%	0.687	22%	0.219	S	C	*	.	H	α-helix	trans	-80.6	-34.4	168.9	-70.9	174.6	-2.2	0	0	111.8	K114 E115 L116	K114-Q118 VanDerWaalsContact O-CG 3.26Å; K114-Q118 WeakPolarHBondContact O-CG 3.4Å; K114-Q118 PolarHBondContact O-N 2.92Å; E115-Q118 WeakPolarHBondContact O-CB 3.31Å; E115-Q118 PolarHBondContact O-N 3.33Å; L116-Q118 PolarHBondContact O-N 2.94Å
119	L	93.2	Very high	95.6	Very high	52 Å²	52	41 Å²	41	27%	0.272	21%	0.211	S	C	.	.	H	α-helix	trans	-76.3	-46.1	178.2	-174.4	63.5	0	0	0	112.3	F48 V68 V76 C77 E115 L116 G121	F48-L119 HydrophobicContact CD2-CG 4.36Å; F48-L119 HydrophobicContact CE1-CD1 4.12Å; F48-L119 HydrophobicContact CE1-CG 4.46Å; F48-L119 HydrophobicContact CE2-CD1 3.97Å; F48-L119 HydrophobicContact CE2-CG 3.9Å; F48-L119 HydrophobicContact CZ-CD1 3.58Å; F48-L119 HydrophobicContact CZ-CG 3.97Å; V68-L119 HydrophobicContact CB-CD2 4.41Å; V68-L119 HydrophobicContact CG1-CD2 3.93Å; V76-L119 HydrophobicContact CG2-CD2 3.87Å; C77-L119 HydrophobicContact CB-CD2 4.39Å; E115-L119 PolarHBondContact O-N 3.48Å; L116-L119 HydrophobicContact CD2-CD2 4.42Å; L116-L119 PolarHBondContact O-N 2.92Å; L119-G121 PolarHBondContact O-N 2.87Å
120	F	93.8	Very high	95.6	Very high	1 Å²	1	40.6 Å²	40.6	0%	0.004	21%	0.212	C	C	.	.	S	Bend	trans	-88.6	95.5	-177.6	-55.5	-26.8	0	0	0	110	T39 F48 V68 L116 L126	T39-F120 WeakPolarHBondContact CB-O 3.45Å; T39-F120 HydrophobicContact CG2-CB 3.64Å; T39-F120 WeakPolarHBondContact CG2-O 3.45Å; F48-F120 HydrophobicContact CB-CD1 4.49Å; F48-F120 HydrophobicContact CB-CE1 3.92Å; F48-F120 AromaticContact CD2-CD1 3.67Å; F48-F120 HydrophobicContact CD2-CD1 3.67Å; F48-F120 AromaticContact CD2-CE1 3.81Å; F48-F120 HydrophobicContact CD2-CE1 3.81Å; F48-F120 HydrophobicContact CE2-CD1 4.32Å; F48-F120 HydrophobicContact CG-CD1 4.33Å; F48-F120 HydrophobicContact CG-CE1 4Å; V68-F120 HydrophobicContact CG1-CE1 3.73Å; V68-F120 HydrophobicContact CG1-CZ 3.92Å; V68-F120 HydrophobicContact CG2-CE1 4.41Å; V68-F120 HydrophobicContact CG2-CZ 3.82Å; L116-F120 HydrophobicContact CB-CD2 3.98Å; L116-F120 HydrophobicContact CB-CE2 3.86Å; L116-F120 HydrophobicContact CD1-CE2 4.05Å; L116-F120 HydrophobicContact CD2-CE2 3.95Å; L116-F120 HydrophobicContact CD2-CZ 3.88Å; L116-F120 HydrophobicContact CG-CE2 4.17Å; L116-F120 VanDerWaalsContact O-CB 3.25Å; L116-F120 WeakPolarHBondContact O-CB 3.09Å; L116-F120 WeakPolarHBondContact O-CD2 3.47Å; L116-F120 VanDerWaalsContact O-CG 3.28Å; L116-F120 WeakPolarHBondContact O-CG 3.37Å; L116-F120 PolarHBondContact O-N 2.95Å; F120-L126 HydrophobicContact CD1-CD1 4.5Å; F120-L126 HydrophobicContact CE1-CD1 3.97Å; F120-L126 HydrophobicContact CE2-CD1 4.12Å; F120-L126 HydrophobicContact CZ-CD1 3.76Å
121	G	91.6	Very high	95.5	Very high	7 Å²	7	37.9 Å²	37.9	7%	0.072	19%	0.189	C	C	.	.			trans	-67.4	159.3	166	0	0	0	0	0	112.8	S42 L119 N123 C124 H142	S42-G121 VanDerWaalsContact CB-CA 3.44Å; L119-G121 PolarHBondContact O-N 2.87Å; G121-N123 PolarHBondContact O-N 3.04Å; G121-N123 VanDerWaalsContact O-N 3.15Å; G121-C124 WeakPolarHBondContact O-CB 3.43Å; G121-C124 PolarHBondContact O-N 2.7Å; G121-H142 PolarHBondContact O-CE1 3.49Å
122	E	90.6	Very high	95.3	Very high	91 Å²	91	38.8 Å²	38.8	43%	0.425	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58	-28	176	72	-172.8	159.7	0	0	114.1	G40 A41 R144	G40-E122 WeakPolarHBondContact O-CB 3.27Å; G40-E122 PolarHBondContact O-N 3.24Å; A41-E122 WeakPolarHBondContact CA-OE1 3.23Å; E122-R144 WeakPolarHBondContact O-CD 3.5Å
123	N	92.9	Very high	95.1	Very high	37 Å²	37	42.1 Å²	42.1	20%	0.198	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.9	-8	179.5	-72.7	-48.7	0	0	0	113.5	S42 G121 R144	S42-N123 PolarHBondContact O-ND2 3.07Å; G121-N123 PolarHBondContact O-N 3.04Å; G121-N123 VanDerWaalsContact O-N 3.15Å; N123-R144 VanDerWaalsContact CA-NH1 3.35Å; N123-R144 PolarHBondContact O-NH1 3.44Å; N123-R144 VanDerWaalsContact O-NH1 3.09Å; N123-R144 PolarHBondContact OD1-NH1 2.81Å; N123-R144 VanDerWaalsContact OD1-NH1 3.11Å; N123-R144 PolarHBondContact OD1-NH2 2.98Å
124	C	95.3	Very high	95	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	21%	0.207	C	C	.	.	P	Polyproline II helix	trans	-61.1	142.1	173.8	178.5	0	0	0	0	110.4	T46 F48 G121 H142 R144	T46-C124 CarbonylContact O-C 3.58Å; T46-C124 WeakPolarHBondContact O-CA 3.47Å; T46-C124 WeakPolarHBondContact OG1-CB 3.48Å; T46-C124 PolarHBondContact OG1-SG 3.25Å; F48-C124 WeakPolarHBondContact CD2-SG 3.3Å; G121-C124 WeakPolarHBondContact O-CB 3.43Å; G121-C124 PolarHBondContact O-N 2.7Å; C124-H142 PolarHBondContact O-CE1 2.9Å; C124-H142 PolarHBondContact O-NE2 3.4Å; C124-R144 WeakPolarHBondContact O-CB 3.1Å
125	I	97.1	Very high	95.1	Very high	66 Å²	66	36.4 Å²	36.4	34%	0.338	19%	0.185	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	119.3	168	-60.9	173.2	0	0	0	108.1	T46 V47 F48 I127 R144 V146	T46-I125 PolarHBondContact O-N 3.21Å; V47-I125 WeakPolarHBondContact CA-O 3.48Å; V47-I125 HydrophobicContact CG2-CB 4.45Å; F48-I125 PolarHBondContact N-O 2.99Å; I125-I127 HydrophobicContact CG2-CG1 4.1Å; I125-R144 WeakPolarHBondContact CA-O 3.44Å; I125-V146 HydrophobicContact CG2-CB 4.4Å; I125-V146 HydrophobicContact CG2-CG2 3.67Å
126	L	97.9	Very high	95	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	118.7	175.5	-168.7	65	0	0	0	110.2	F48 L50 F120 L135 R144 V145 V146	F48-L126 HydrophobicContact CB-CD1 4.31Å; F48-L126 WeakPolarHBondContact O-CA 3.32Å; L50-L126 HydrophobicContact CB-CD1 3.78Å; L50-L126 HydrophobicContact CB-CG 4.33Å; L50-L126 HydrophobicContact CD2-CD2 4.01Å; F120-L126 HydrophobicContact CD1-CD1 4.5Å; F120-L126 HydrophobicContact CE1-CD1 3.97Å; F120-L126 HydrophobicContact CE2-CD1 4.12Å; F120-L126 HydrophobicContact CZ-CD1 3.76Å; L126-L135 HydrophobicContact CD2-CD2 3.93Å; L126-R144 PolarHBondContact N-O 2.96Å; L126-V145 CarbonylContact O-C 3.57Å; L126-V145 WeakPolarHBondContact O-CA 3.47Å; L126-V146 PolarHBondContact O-N 3.47Å
127	I	98.4	Very high	94.9	Very high	12 Å²	12	37.3 Å²	37.3	6%	0.062	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	147.1	-180	-52.2	-176	0	0	0	109.3	V47 F48 A49 L50 I125 V146 T148 C192 I193 M196	V47-I127 HydrophobicContact CG1-CD1 3.41Å; V47-I127 VanDerWaalsContact CG1-CD1 3.41Å; V47-I127 HydrophobicContact CG1-CG1 4.02Å; F48-I127 PolarHBondContact O-N 2.82Å; A49-I127 CarbonylContact C-O 3.48Å; A49-I127 WeakPolarHBondContact CA-O 3.36Å; A49-I127 HydrophobicContact CB-CB 4.17Å; L50-I127 PolarHBondContact N-O 3.09Å; I125-I127 HydrophobicContact CG2-CG1 4.1Å; I127-V146 WeakPolarHBondContact CA-O 3.47Å; I127-V146 HydrophobicContact CG1-CB 4.23Å; I127-T148 HydrophobicContact CG2-CG2 4.32Å; I127-C192 HydrophobicContact CG2-CB 3.98Å; I127-I193 HydrophobicContact CD1-CG1 4.49Å; I127-M196 HydrophobicContact CD1-CB 4.35Å; I127-M196 HydrophobicContact CD1-CG 4.21Å; I127-M196 HydrophobicContact CG2-CG 3.88Å
128	G	98	Very high	95.1	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-177.9	-166.6	171.7	0	0	0	0	0	112.1	V146 T148	G128-V146 PolarHBondContact N-O 3.48Å; G128-T148 WeakPolarHBondContact O-CG2 3.32Å; G128-T148 PolarHBondContact O-N 2.98Å; G128-T148 PolarHBondContact O-OG1 3.34Å
129	H	97.5	Very high	95.3	Very high	39 Å²	39	29.3 Å²	29.3	18%	0.181	15%	0.148	C	C	.	.	S	Bend	trans	-131.2	108	179.6	-170.2	83.7	0	0	0	111.3	T148 R162 L164 L167	H129-T148 WeakPolarHBondContact CA-OG1 3.38Å; H129-T148 VanDerWaalsContact CB-OG1 3.31Å; H129-T148 WeakPolarHBondContact CB-OG1 3.4Å; H129-T148 PolarHBondContact ND1-OG1 2.65Å; H129-R162 PolarHBondContact CE1-O 2.89Å; H129-R162 PolarHBondContact NE2-O 3.28Å; H129-L164 HydrophobicContact CB-CB 4.46Å; H129-L164 HydrophobicContact CB-CD1 4.09Å; H129-L164 HydrophobicContact CB-CD2 4.3Å; H129-L164 PolarHBondContact NE2-N 3.1Å; H129-L167 VanDerWaalsContact CE1-CD1 3.5Å; H129-L167 WeakPolarHBondContact CE1-CD1 3.5Å
130	G	95.6	Very high	95.4	Very high	12 Å²	12	27 Å²	27	12%	0.124	14%	0.136	C	C	.	.	S	Bend	trans	74.3	35.1	-176.7	0	0	0	0	0	113.5	E132 N133 D147	G130-E132 PolarHBondContact O-N 3.3Å; G130-N133 PolarHBondContact O-N 3.12Å; G130-D147 VanDerWaalsContact CA-OD2 3.27Å; G130-D147 WeakPolarHBondContact CA-OD2 3.1Å; G130-D147 PolarHBondContact N-OD1 3.07Å; G130-D147 PolarHBondContact N-OD2 3.03Å
131	L	96.7	Very high	95.5	Very high	2 Å²	2	29.9 Å²	29.9	1%	0.01	15%	0.151	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.3	-9.6	-171.9	-78	175.5	0	0	0	115.3	L50 N133 D134 L135 V145 D147	L50-L131 HydrophobicContact CB-CD2 4.27Å; L50-L131 HydrophobicContact CD2-CD2 4.04Å; L50-L131 HydrophobicContact CG-CD2 4.34Å; L131-N133 VanDerWaalsContact C-N 3.26Å; L131-N133 PolarHBondContact O-N 3.15Å; L131-D134 WeakPolarHBondContact CA-OD2 3.35Å; L131-D134 HydrophobicContact CD2-CB 4.02Å; L131-D134 PolarHBondContact O-N 3.15Å; L131-L135 HydrophobicContact CB-CD1 4.38Å; L131-L135 VanDerWaalsContact O-CB 3.3Å; L131-L135 WeakPolarHBondContact O-CB 3.33Å; L131-L135 VanDerWaalsContact O-CG 3.32Å; L131-L135 WeakPolarHBondContact O-CG 3.29Å; L131-L135 PolarHBondContact O-N 3.32Å; L131-V145 HydrophobicContact CB-CG1 4.39Å; L131-V145 HydrophobicContact CD1-CG1 3.4Å; L131-V145 VanDerWaalsContact CD1-CG1 3.4Å; L131-D147 PolarHBondContact N-OD2 2.94Å
132	E	94	Very high	95.7	Very high	100 Å²	100	30.2 Å²	30.2	47%	0.467	15%	0.15	S	C	.	.	H	α-helix	trans	-54.1	-44.6	173.4	-170.6	-165.7	154.4	0	0	111.6	G130 R136	G130-E132 PolarHBondContact O-N 3.3Å; E132-R136 WeakPolarHBondContact O-CB 3.45Å; E132-R136 PolarHBondContact O-N 2.83Å; E132-R136 VanDerWaalsContact O-N 3.14Å; E132-R136 IonicContact OE1-CZ 2.63Å; E132-R136 IonicContact OE1-NH1 3.52Å; E132-R136 PolarHBondContact OE1-NH1 2.83Å; E132-R136 IonicContact OE1-NH2 2.64Å; E132-R136 PolarHBondContact OE1-NH2 3.4Å
133	N	93.1	Very high	95.9	Very high	70 Å²	70	34.1 Å²	34.1	37%	0.374	17%	0.168	S	C	.	.	H	α-helix	trans	-73.4	-42.9	-178.8	-71.6	-26.5	0	0	0	111.3	M54 G130 L131 R136 A137	M54-N133 HydrophobicContact CE-CB 4.17Å; G130-N133 PolarHBondContact O-N 3.12Å; L131-N133 VanDerWaalsContact C-N 3.26Å; L131-N133 PolarHBondContact O-N 3.15Å; N133-R136 PolarHBondContact O-N 3.34Å; N133-A137 WeakPolarHBondContact O-CB 3.46Å; N133-A137 PolarHBondContact O-N 3.42Å
134	D	96.3	Very high	96	Very high	9 Å²	9	37.4 Å²	37.4	5%	0.048	18%	0.178	C	C	.	.	H	α-helix	trans	-59.1	-52.6	178.1	-54.7	-111	0	0	0	111.4	L50 C52 L131 R136 A137 L138	L50-D134 HydrophobicContact CD2-CB 4.24Å; C52-D134 HydrophobicContact CB-CB 4.18Å; C52-D134 WeakPolarHBondContact CB-OD1 3.29Å; C52-D134 PolarHBondContact N-OD1 3.18Å; L131-D134 WeakPolarHBondContact CA-OD2 3.35Å; L131-D134 HydrophobicContact CD2-CB 4.02Å; L131-D134 PolarHBondContact O-N 3.15Å; D134-R136 VanDerWaalsContact C-N 3.28Å; D134-R136 PolarHBondContact O-N 2.93Å; D134-A137 PolarHBondContact O-N 3.48Å; D134-L138 WeakPolarHBondContact O-CB 3.03Å; D134-L138 WeakPolarHBondContact O-CG 3.13Å; D134-L138 PolarHBondContact O-N 3.18Å
135	L	96.4	Very high	96.1	Very high	26 Å²	26	39.9 Å²	39.9	14%	0.136	19%	0.193	C	C	.	.	H	α-helix	trans	-67.3	-30.3	-180	-68.9	175.3	0	0	0	112.2	L50 L126 L131 K139 I140 V145	L50-L135 HydrophobicContact CD2-CD2 4.42Å; L126-L135 HydrophobicContact CD2-CD2 3.93Å; L131-L135 HydrophobicContact CB-CD1 4.38Å; L131-L135 VanDerWaalsContact O-CB 3.3Å; L131-L135 WeakPolarHBondContact O-CB 3.33Å; L131-L135 VanDerWaalsContact O-CG 3.32Å; L131-L135 WeakPolarHBondContact O-CG 3.29Å; L131-L135 PolarHBondContact O-N 3.32Å; L135-K139 WeakPolarHBondContact O-CA 3.38Å; L135-K139 PolarHBondContact O-N 3.04Å; L135-I140 HydrophobicContact CD2-CB 4.41Å; L135-I140 HydrophobicContact CD2-CG2 4.48Å; L135-I140 PolarHBondContact O-N 3.46Å; L135-I140 VanDerWaalsContact O-N 3.11Å; L135-V145 HydrophobicContact CD1-CG2 4.1Å
136	R	94.8	Very high	96.1	Very high	67 Å²	67	38.6 Å²	38.6	25%	0.253	19%	0.189	S	C	.	.	H	α-helix	trans	-70	-44.5	173.4	-167.5	-178.9	-78.9	120.2	-3.8	111.2	F28 Y36 E132 N133 D134 K139	F28-R136 VanDerWaalsContact CB-CD 3.49Å; F28-R136 HydrophobicContact CD1-CG 3.7Å; F28-R136 HydrophobicContact CD2-CG 4.43Å; F28-R136 HydrophobicContact CE1-CB 4.24Å; F28-R136 HydrophobicContact CE1-CG 3.86Å; F28-R136 HydrophobicContact CG-CG 4Å; F28-R136 HydrophobicContact CZ-CB 4.3Å; F28-R136 HydrophobicContact CZ-CG 4.28Å; Y36-R136 VanDerWaalsContact OH-CG 3.24Å; Y36-R136 WeakPolarHBondContact OH-CG 3.36Å; Y36-R136 PolarHBondContact OH-O 3.01Å; E132-R136 WeakPolarHBondContact O-CB 3.45Å; E132-R136 PolarHBondContact O-N 2.83Å; E132-R136 VanDerWaalsContact O-N 3.14Å; E132-R136 IonicContact OE1-CZ 2.63Å; E132-R136 IonicContact OE1-NH1 3.52Å; E132-R136 PolarHBondContact OE1-NH1 2.83Å; E132-R136 IonicContact OE1-NH2 2.64Å; E132-R136 PolarHBondContact OE1-NH2 3.4Å; N133-R136 PolarHBondContact O-N 3.34Å; D134-R136 VanDerWaalsContact C-N 3.28Å; D134-R136 PolarHBondContact O-N 2.93Å; R136-K139 PolarHBondContact O-N 3.25Å
137	A	95	Very high	96.1	Very high	9 Å²	9	39.6 Å²	39.6	7%	0.074	19%	0.194	C	C	.	.	H	α-helix	trans	-66.6	-37.1	177.3	0	0	0	0	0	112.6	M54 L63 N133 D134 K139	M54-A137 HydrophobicContact CG-CB 4.24Å; M54-A137 HydrophobicContact SD-CB 4.35Å; L63-A137 HydrophobicContact CB-CB 4.29Å; N133-A137 WeakPolarHBondContact O-CB 3.46Å; N133-A137 PolarHBondContact O-N 3.42Å; D134-A137 PolarHBondContact O-N 3.48Å; A137-K139 VanDerWaalsContact C-N 3.27Å; A137-K139 PolarHBondContact O-N 2.98Å
138	L	96.5	Very high	96.1	Very high	0 Å²	0	39 Å²	39	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-74.8	-17.3	174.4	-74.1	167.3	0	0	0	113.5	L50 L63 V66 V112 Q113 L116 D134 I140	L50-L138 HydrophobicContact CD1-CD1 4.01Å; L50-L138 HydrophobicContact CD2-CD1 3.5Å; L50-L138 VanDerWaalsContact CD2-CD1 3.5Å; L50-L138 HydrophobicContact CG-CD1 4.33Å; L63-L138 HydrophobicContact CD1-CD2 4.39Å; L63-L138 HydrophobicContact CD2-CD2 3.48Å; L63-L138 VanDerWaalsContact CD2-CD2 3.48Å; L63-L138 HydrophobicContact CD2-CG 4.32Å; V66-L138 HydrophobicContact CB-CD2 4.46Å; V66-L138 HydrophobicContact CG2-CD2 4.2Å; V112-L138 HydrophobicContact CG1-CD2 3.72Å; Q113-L138 WeakPolarHBondContact CG-O 3.33Å; Q113-L138 PolarHBondContact NE2-O 3.43Å; L116-L138 HydrophobicContact CD1-CD1 4.09Å; L116-L138 HydrophobicContact CD1-CD2 3.66Å; D134-L138 WeakPolarHBondContact O-CB 3.03Å; D134-L138 WeakPolarHBondContact O-CG 3.13Å; D134-L138 PolarHBondContact O-N 3.18Å; L138-I140 VanDerWaalsContact C-N 3.28Å; L138-I140 HydrophobicContact CB-CB 4.3Å; L138-I140 HydrophobicContact CB-CD1 4.02Å; L138-I140 HydrophobicContact CB-CG1 3.99Å; L138-I140 HydrophobicContact CD1-CD1 4.47Å; L138-I140 PolarHBondContact O-N 3.05Å
139	K	96.2	Very high	96	Very high	15 Å²	15	39.3 Å²	39.3	7%	0.065	19%	0.193	C	C	.	.	T	Hydrogen-bonded Turn	trans	51.3	49.3	-169.8	-60	178.5	172.7	-170.5	0	111	D34 N35 Y36 V37 L109 Q113 L135 R136 A137	D34-K139 WeakPolarHBondContact O-CD 3.43Å; D34-K139 IonicContact OD1-NZ 3.46Å; D34-K139 PolarHBondContact OD1-NZ 3.33Å; N35-K139 HydrophobicContact CB-CD 4.33Å; Y36-K139 CarbonylContact C-O 3.54Å; Y36-K139 VanDerWaalsContact CA-O 3.23Å; Y36-K139 WeakPolarHBondContact CA-O 3.28Å; Y36-K139 VanDerWaalsContact CD1-C 3.44Å; Y36-K139 HydrophobicContact CD1-CB 4.16Å; Y36-K139 HydrophobicContact CD2-CB 4.23Å; Y36-K139 HydrophobicContact CD2-CG 4.46Å; Y36-K139 HydrophobicContact CE1-CB 4.24Å; Y36-K139 HydrophobicContact CE2-CB 4.28Å; Y36-K139 HydrophobicContact CE2-CG 4.1Å; Y36-K139 HydrophobicContact CG-CB 4.15Å; V37-K139 PolarHBondContact N-O 3.35Å; L109-K139 HydrophobicContact CD2-CD 3.79Å; L109-K139 HydrophobicContact CD2-CG 4.18Å; Q113-K139 PolarHBondContact NE2-O 3.33Å; L135-K139 WeakPolarHBondContact O-CA 3.38Å; L135-K139 PolarHBondContact O-N 3.04Å; R136-K139 PolarHBondContact O-N 3.25Å; A137-K139 VanDerWaalsContact C-N 3.27Å; A137-K139 PolarHBondContact O-N 2.98Å
140	I	96.4	Very high	95.9	Very high	5 Å²	5	42.4 Å²	42.4	3%	0.026	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	133.3	178.7	-67.2	175.9	0	0	0	109.8	V37 T39 Q113 L116 L135 L138 H142	V37-I140 HydrophobicContact CG2-CG1 3.81Å; V37-I140 CarbonylContact O-C 3.58Å; V37-I140 WeakPolarHBondContact O-CA 3.37Å; T39-I140 HydrophobicContact CG2-CG2 4.17Å; Q113-I140 HydrophobicContact CG-CG1 4.37Å; L116-I140 HydrophobicContact CB-CD1 3.87Å; L116-I140 HydrophobicContact CD1-CD1 3.86Å; L135-I140 HydrophobicContact CD2-CB 4.41Å; L135-I140 HydrophobicContact CD2-CG2 4.48Å; L135-I140 PolarHBondContact O-N 3.46Å; L135-I140 VanDerWaalsContact O-N 3.11Å; L138-I140 VanDerWaalsContact C-N 3.28Å; L138-I140 HydrophobicContact CB-CB 4.3Å; L138-I140 HydrophobicContact CB-CD1 4.02Å; L138-I140 HydrophobicContact CB-CG1 3.99Å; L138-I140 HydrophobicContact CD1-CD1 4.47Å; L138-I140 PolarHBondContact O-N 3.05Å; I140-H142 HydrophobicContact CG2-CB 4.44Å
141	I	95.6	Very high	96	Very high	60 Å²	60	44.2 Å²	44.2	31%	0.308	22%	0.223	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	111.9	170.8	-59.5	169.1	0	0	0	108.3	Y36 V37 R38 T39	Y36-I141 HydrophobicContact CD1-CD1 4.48Å; Y36-I141 HydrophobicContact CD1-CG1 3.92Å; Y36-I141 HydrophobicContact CG-CD1 4.48Å; Y36-I141 HydrophobicContact CG-CG1 4.37Å; V37-I141 PolarHBondContact O-N 3.28Å; R38-I141 HydrophobicContact CG-CB 3.97Å; R38-I141 HydrophobicContact CG-CD1 4.38Å; R38-I141 HydrophobicContact CG-CG2 4.3Å; T39-I141 PolarHBondContact N-O 3.01Å
142	H	95.7	Very high	95.9	Very high	15 Å²	15	44.4 Å²	44.4	7%	0.069	22%	0.224	C	C	.	.			trans	-127.3	139.3	175.7	-171.2	66.9	0	0	0	110.3	T39 G121 C124 I140 R144 V145	T39-H142 HydrophobicContact CG2-CB 4.22Å; T39-H142 WeakPolarHBondContact CG2-ND1 3.5Å; T39-H142 PolarHBondContact OG1-ND1 2.91Å; G121-H142 PolarHBondContact O-CE1 3.49Å; C124-H142 PolarHBondContact O-CE1 2.9Å; C124-H142 PolarHBondContact O-NE2 3.4Å; I140-H142 HydrophobicContact CG2-CB 4.44Å; H142-R144 PolarHBondContact NE2-O 3.17Å; H142-V145 HydrophobicContact CB-CG2 4.45Å
143	Q	93.7	Very high	95.9	Very high	172 Å²	172	44.1 Å²	44.1	80%	0.804	23%	0.23	S	C	*	.	S	Bend	trans	-96.9	-29	-169.7	-69.5	-176.6	69.4	0	0	114	V145	Q143-V145 PolarHBondContact O-N 3.2Å
144	R	95.9	Very high	96	Very high	106 Å²	106	42.9 Å²	42.9	40%	0.4	22%	0.222	S	C	.	.			trans	-99.7	72.9	-175.1	-72.7	-172.6	179.8	-170.8	3.3	110.5	E122 N123 C124 I125 L126 H142	E122-R144 WeakPolarHBondContact O-CD 3.5Å; N123-R144 VanDerWaalsContact CA-NH1 3.35Å; N123-R144 PolarHBondContact O-NH1 3.44Å; N123-R144 VanDerWaalsContact O-NH1 3.09Å; N123-R144 PolarHBondContact OD1-NH1 2.81Å; N123-R144 VanDerWaalsContact OD1-NH1 3.11Å; N123-R144 PolarHBondContact OD1-NH2 2.98Å; C124-R144 WeakPolarHBondContact O-CB 3.1Å; I125-R144 WeakPolarHBondContact CA-O 3.44Å; L126-R144 PolarHBondContact N-O 2.96Å; H142-R144 PolarHBondContact NE2-O 3.17Å
145	V	97.3	Very high	95.8	Very high	53 Å²	53	53.4 Å²	53.4	32%	0.321	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	133.9	-176.2	177.8	0	0	0	0	111	L126 L131 L135 H142 Q143	L126-V145 CarbonylContact O-C 3.57Å; L126-V145 WeakPolarHBondContact O-CA 3.47Å; L131-V145 HydrophobicContact CB-CG1 4.39Å; L131-V145 HydrophobicContact CD1-CG1 3.4Å; L131-V145 VanDerWaalsContact CD1-CG1 3.4Å; L135-V145 HydrophobicContact CD1-CG2 4.1Å; H142-V145 HydrophobicContact CB-CG2 4.45Å; Q143-V145 PolarHBondContact O-N 3.2Å
146	V	97.9	Very high	95.7	Very high	39 Å²	39	57.6 Å²	57.6	24%	0.236	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	99.3	168.7	177.5	0	0	0	0	108.2	I125 L126 I127 G128 V151 M196	I125-V146 HydrophobicContact CG2-CB 4.4Å; I125-V146 HydrophobicContact CG2-CG2 3.67Å; L126-V146 PolarHBondContact O-N 3.47Å; I127-V146 WeakPolarHBondContact CA-O 3.47Å; I127-V146 HydrophobicContact CG1-CB 4.23Å; G128-V146 PolarHBondContact N-O 3.48Å; V146-V151 HydrophobicContact CG1-CG2 3.93Å; V146-M196 HydrophobicContact CG1-CE 3.73Å; V146-M196 HydrophobicContact CG1-CG 4.1Å; V146-M196 HydrophobicContact CG1-SD 3.65Å
147	D	97.6	Very high	95.6	Very high	21 Å²	21	56 Å²	56	11%	0.112	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	114.2	176.1	-170.3	-32.3	0	0	0	110	G130 L131 S149 V150 V151	G130-D147 VanDerWaalsContact CA-OD2 3.27Å; G130-D147 WeakPolarHBondContact CA-OD2 3.1Å; G130-D147 PolarHBondContact N-OD1 3.07Å; G130-D147 PolarHBondContact N-OD2 3.03Å; L131-D147 PolarHBondContact N-OD2 2.94Å; D147-S149 VanDerWaalsContact CG-OG 3.23Å; D147-S149 PolarHBondContact O-N 2.86Å; D147-S149 WeakPolarHBondContact OD1-CA 3.37Å; D147-S149 WeakPolarHBondContact OD1-CB 3.21Å; D147-S149 PolarHBondContact OD1-N 2.71Å; D147-S149 PolarHBondContact OD1-OG 3.49Å; D147-S149 PolarHBondContact OD2-OG 2.93Å; D147-V150 HydrophobicContact CB-CB 4.37Å; D147-V150 HydrophobicContact CB-CG2 4.01Å; D147-V150 WeakPolarHBondContact O-CA 3.37Å; D147-V150 WeakPolarHBondContact O-CB 3.46Å; D147-V150 PolarHBondContact O-N 3.1Å; D147-V151 WeakPolarHBondContact O-CG2 3.48Å; D147-V151 PolarHBondContact O-N 2.93Å
148	T	97.6	Very high	95.3	Very high	0 Å²	0	60.3 Å²	60.3	0%	0	32%	0.323	C	S	.	.	H	α-helix	trans	-61.7	-26.5	179.8	57.8	0	0	0	0	112.5	I127 G128 H129 V150 V151 F152 C192 M196	I127-T148 HydrophobicContact CG2-CG2 4.32Å; G128-T148 WeakPolarHBondContact O-CG2 3.32Å; G128-T148 PolarHBondContact O-N 2.98Å; G128-T148 PolarHBondContact O-OG1 3.34Å; H129-T148 WeakPolarHBondContact CA-OG1 3.38Å; H129-T148 VanDerWaalsContact CB-OG1 3.31Å; H129-T148 WeakPolarHBondContact CB-OG1 3.4Å; H129-T148 PolarHBondContact ND1-OG1 2.65Å; T148-V150 PolarHBondContact O-N 3.08Å; T148-V151 PolarHBondContact O-N 3.14Å; T148-F152 WeakPolarHBondContact O-CD2 3.28Å; T148-F152 PolarHBondContact O-N 2.98Å; T148-C192 HydrophobicContact CG2-CB 4.2Å; T148-M196 HydrophobicContact CG2-CG 4.16Å; T148-M196 HydrophobicContact CG2-SD 4.14Å
149	S	96	Very high	95	Very high	5 Å²	5	65.7 Å²	65.7	4%	0.035	36%	0.358	C	S	.	.	H	α-helix	trans	-67.2	-23	173.8	77.4	0	0	0	0	112.9	D147	D147-S149 VanDerWaalsContact CG-OG 3.23Å; D147-S149 PolarHBondContact O-N 2.86Å; D147-S149 WeakPolarHBondContact OD1-CA 3.37Å; D147-S149 WeakPolarHBondContact OD1-CB 3.21Å; D147-S149 PolarHBondContact OD1-N 2.71Å; D147-S149 PolarHBondContact OD1-OG 3.49Å; D147-S149 PolarHBondContact OD2-OG 2.93Å
150	V	95.9	Very high	94.8	Very high	105 Å²	105	71.8 Å²	71.8	64%	0.636	38%	0.381	S	S	*	.	H	α-helix	trans	-90	-42	174.5	180	0	0	0	0	111	D147 T148 F152	D147-V150 HydrophobicContact CB-CB 4.37Å; D147-V150 HydrophobicContact CB-CG2 4.01Å; D147-V150 WeakPolarHBondContact O-CA 3.37Å; D147-V150 WeakPolarHBondContact O-CB 3.46Å; D147-V150 PolarHBondContact O-N 3.1Å; T148-V150 PolarHBondContact O-N 3.08Å; V150-F152 VanDerWaalsContact C-N 3.25Å; V150-F152 PolarHBondContact O-N 2.85Å
151	V	96.5	Very high	94.7	Very high	49 Å²	49	76.4 Å²	76.4	30%	0.297	40%	0.402	S	S	.	.	H	α-helix	trans	-61.6	-35.2	177.9	176.2	0	0	0	0	111.8	V146 D147 T148 P153 M196 K199	V146-V151 HydrophobicContact CG1-CG2 3.93Å; D147-V151 WeakPolarHBondContact O-CG2 3.48Å; D147-V151 PolarHBondContact O-N 2.93Å; T148-V151 PolarHBondContact O-N 3.14Å; V151-P153 VanDerWaalsContact C-CD 3.49Å; V151-P153 WeakPolarHBondContact O-CD 3.39Å; V151-M196 HydrophobicContact CB-SD 4.38Å; V151-M196 HydrophobicContact CG1-CE 4.36Å; V151-M196 HydrophobicContact CG1-SD 4.06Å; V151-M196 HydrophobicContact CG2-CE 4.42Å; V151-M196 HydrophobicContact CG2-SD 4.09Å; V151-K199 HydrophobicContact CG1-CG 4.2Å
152	F	96.1	Very high	94.7	Very high	7 Å²	7	75.5 Å²	75.5	3%	0.031	39%	0.394	C	S	.	.	S	Bend	trans	-111.4	77.2	177.9	-61.6	-86.8	0	0	0	110.7	T148 V150 L167 Y171 L195 W198 K199	T148-F152 WeakPolarHBondContact O-CD2 3.28Å; T148-F152 PolarHBondContact O-N 2.98Å; V150-F152 VanDerWaalsContact C-N 3.25Å; V150-F152 PolarHBondContact O-N 2.85Å; F152-L167 HydrophobicContact CB-CD1 3.97Å; F152-L167 HydrophobicContact CB-CD2 3.42Å; F152-L167 VanDerWaalsContact CB-CD2 3.42Å; F152-L167 HydrophobicContact CB-CG 4.38Å; F152-L167 HydrophobicContact CD1-CD2 4.39Å; F152-L167 HydrophobicContact CD2-CD1 4.22Å; F152-L167 HydrophobicContact CG-CD1 4.32Å; F152-L167 HydrophobicContact CG-CD2 3.92Å; F152-Y171 AromaticContact CD1-CD2 3.92Å; F152-Y171 HydrophobicContact CD1-CD2 3.92Å; F152-Y171 AromaticContact CD1-CE2 3.37Å; F152-Y171 HydrophobicContact CD1-CE2 3.37Å; F152-Y171 AromaticContact CD1-CZ 3.75Å; F152-Y171 AromaticContact CE1-CD2 3.83Å; F152-Y171 HydrophobicContact CE1-CD2 3.83Å; F152-Y171 HydrophobicContact CE1-CE1 4.47Å; F152-Y171 AromaticContact CE1-CE2 3.71Å; F152-Y171 HydrophobicContact CE1-CE2 3.71Å; F152-Y171 HydrophobicContact CE1-CG 4.27Å; F152-Y171 HydrophobicContact CG-CE2 4.19Å; F152-L195 HydrophobicContact CE2-CB 4.13Å; F152-L195 HydrophobicContact CE2-CD2 4.48Å; F152-L195 HydrophobicContact CZ-CB 4.42Å; F152-L195 HydrophobicContact CZ-CD2 4.35Å; F152-W198 HydrophobicContact CE1-CE3 4.28Å; F152-W198 AromaticContact CE1-CZ3 4Å; F152-W198 HydrophobicContact CE1-CZ3 4Å; F152-W198 HydrophobicContact CZ-CE3 4.35Å; F152-K199 HydrophobicContact CE1-CD 4.02Å; F152-K199 HydrophobicContact CZ-CB 4Å; F152-K199 HydrophobicContact CZ-CD 4.1Å; F152-K199 HydrophobicContact CZ-CG 4.32Å
153	P	94.3	Very high	94.6	Very high	93 Å²	93	76.8 Å²	76.8	60%	0.604	41%	0.412	S	S	*	.	B	Isolated β-bridge	trans	-65.1	150.7	-171.7	28	-36.3	0	0	0	112	V151	V151-P153 VanDerWaalsContact C-CD 3.49Å; V151-P153 WeakPolarHBondContact O-CD 3.39Å
154	H	93.7	Very high	94.7	Very high	45 Å²	45	69.3 Å²	69.3	21%	0.208	38%	0.377	C	S	.	.			trans	-73.4	145.1	171.8	-168.3	-95.8	0	0	0	111	L156 G157 Y160 R162	H154-L156 WeakPolarHBondContact ND1-CB 3.25Å; H154-L156 PolarHBondContact ND1-N 2.82Å; H154-L156 VanDerWaalsContact ND1-N 3.17Å; H154-L156 PolarHBondContact O-N 3.28Å; H154-L156 VanDerWaalsContact O-N 3.1Å; H154-G157 PolarHBondContact O-N 3.33Å; H154-Y160 WeakPolarHBondContact CB-O 3.45Å; H154-Y160 WeakPolarHBondContact ND1-CB 3.25Å; H154-R162 HydrophobicContact CB-CG 4.17Å
155	R	93.5	Very high	94.6	Very high	230 Å²	230	68.5 Å²	68.5	87%	0.868	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.4	-25.4	-179.7	67.4	-176.7	177.9	-142.9	-2.5	114.9	G157	R155-G157 VanDerWaalsContact C-N 3.34Å
156	L	94.1	Very high	94.6	Very high	113 Å²	113	68.4 Å²	68.4	59%	0.592	38%	0.381	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.7	0.3	177.9	-59.1	-179.9	0	0	0	113.1	H154 Y160	H154-L156 WeakPolarHBondContact ND1-CB 3.25Å; H154-L156 PolarHBondContact ND1-N 2.82Å; H154-L156 VanDerWaalsContact ND1-N 3.17Å; H154-L156 PolarHBondContact O-N 3.28Å; H154-L156 VanDerWaalsContact O-N 3.1Å; L156-Y160 HydrophobicContact CB-CD2 3.79Å; L156-Y160 HydrophobicContact CB-CE2 4.28Å; L156-Y160 HydrophobicContact CB-CG 4.34Å; L156-Y160 HydrophobicContact CD1-CD2 4.43Å; L156-Y160 HydrophobicContact CD1-CE2 4.44Å
157	G	91.2	Very high	94.5	Very high	34 Å²	34	66.5 Å²	66.5	35%	0.351	37%	0.37	S	S	.	.			trans	71.8	-176.3	-174.6	0	0	0	0	0	113.6	H154 R155 Y160	H154-G157 PolarHBondContact O-N 3.33Å; R155-G157 VanDerWaalsContact C-N 3.34Å; G157-Y160 WeakPolarHBondContact O-CB 3.4Å; G157-Y160 PolarHBondContact O-N 2.9Å; G157-Y160 VanDerWaalsContact O-N 3.11Å
158	A	89.7	Confident	94.5	Very high	99 Å²	99	65.5 Å²	65.5	82%	0.818	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.5	147.2	175.1	0	0	0	0	0	111.3
159	P	89.5	Confident	94.4	Very high	113 Å²	113	67.9 Å²	67.9	73%	0.734	38%	0.384	S	S	*	.	T	Hydrogen-bonded Turn	cis	-87.4	6	5	35.9	-36.4	0	0	0	114.2	K161	P159-K161 PolarHBondContact O-N 2.7Å
160	Y	93.5	Very high	94.4	Very high	143 Å²	143	71.8 Å²	71.8	56%	0.561	40%	0.402	S	S	*	.			trans	-68.5	131.6	-177.8	-57.7	-83.3	0	0	0	111	H154 L156 G157	H154-Y160 WeakPolarHBondContact CB-O 3.45Å; H154-Y160 WeakPolarHBondContact ND1-CB 3.25Å; L156-Y160 HydrophobicContact CB-CD2 3.79Å; L156-Y160 HydrophobicContact CB-CE2 4.28Å; L156-Y160 HydrophobicContact CB-CG 4.34Å; L156-Y160 HydrophobicContact CD1-CD2 4.43Å; L156-Y160 HydrophobicContact CD1-CE2 4.44Å; G157-Y160 WeakPolarHBondContact O-CB 3.4Å; G157-Y160 PolarHBondContact O-N 2.9Å; G157-Y160 VanDerWaalsContact O-N 3.11Å
161	K	94.1	Very high	94.4	Very high	103 Å²	103	69.4 Å²	69.4	45%	0.448	38%	0.381	S	S	.	.	B	Isolated β-bridge	trans	-115.6	145.6	175.3	-64.1	178.7	-178.2	-178.8	0	109.6	P159	P159-K161 PolarHBondContact O-N 2.7Å
162	R	94.8	Very high	94.4	Very high	40 Å²	40	68.5 Å²	68.5	15%	0.151	38%	0.375	C	S	.	.			trans	-78.2	129.7	168.4	-64.4	-176.8	60.1	167.9	2	107.7	H129 H154 L167 E170 Y171	H129-R162 PolarHBondContact CE1-O 2.89Å; H129-R162 PolarHBondContact NE2-O 3.28Å; H154-R162 HydrophobicContact CB-CG 4.17Å; R162-L167 HydrophobicContact CB-CD2 3.81Å; R162-L167 HydrophobicContact CB-CG 4.07Å; R162-L167 HydrophobicContact CG-CD2 4.39Å; R162-L167 VanDerWaalsContact NE-CD2 3.32Å; R162-E170 IonicContact CZ-OE1 2.85Å; R162-E170 IonicContact CZ-OE2 3.41Å; R162-E170 IonicContact NH1-OE1 2.66Å; R162-E170 PolarHBondContact NH1-OE1 3.03Å; R162-E170 IonicContact NH1-OE2 3.4Å; R162-E170 PolarHBondContact NH1-OE2 3.06Å; R162-E170 IonicContact NH2-OE1 2.65Å; R162-E170 PolarHBondContact NH2-OE1 2.73Å; R162-E170 IonicContact NH2-OE2 3.37Å; R162-E170 PolarHBondContact NH2-OE2 3.19Å; R162-Y171 PolarHBondContact NH1-OH 2.65Å
163	G	94.1	Very high	94.4	Very high	43 Å²	43	76 Å²	76	44%	0.443	41%	0.407	S	S	.	.			trans	-68.7	149.7	175.5	0	0	0	0	0	112.2	K165 A166 L167	G163-K165 PolarHBondContact O-N 2.91Å; G163-A166 WeakPolarHBondContact O-CB 3.49Å; G163-A166 PolarHBondContact O-N 3.32Å; G163-L167 PolarHBondContact O-N 2.96Å
164	L	95.9	Very high	94.4	Very high	15 Å²	15	75.9 Å²	75.9	8%	0.079	40%	0.398	C	S	.	.	H	α-helix	trans	-53	-47.4	-177.7	-173.2	58.5	0	0	0	112.8	H129 A166 L167 V168 I176 D188 V191 L195	H129-L164 HydrophobicContact CB-CB 4.46Å; H129-L164 HydrophobicContact CB-CD1 4.09Å; H129-L164 HydrophobicContact CB-CD2 4.3Å; H129-L164 PolarHBondContact NE2-N 3.1Å; L164-A166 PolarHBondContact O-N 3.4Å; L164-L167 WeakPolarHBondContact O-CB 3.37Å; L164-L167 PolarHBondContact O-N 3.5Å; L164-V168 HydrophobicContact CD1-CG2 4Å; L164-V168 HydrophobicContact CG-CG2 4.2Å; L164-V168 WeakPolarHBondContact O-CG2 3.45Å; L164-V168 PolarHBondContact O-N 3.45Å; L164-I176 HydrophobicContact CD2-CD1 4.37Å; L164-I176 HydrophobicContact CG-CD1 4.08Å; L164-D188 HydrophobicContact CD2-CB 3.88Å; L164-V191 HydrophobicContact CD1-CG2 4.09Å; L164-V191 HydrophobicContact CD2-CG2 3.89Å; L164-V191 HydrophobicContact CG-CG2 4.11Å; L164-L195 HydrophobicContact CD1-CD1 3.74Å
165	K	94.3	Very high	94.3	Very high	89 Å²	89	80 Å²	80	39%	0.387	42%	0.419	S	S	.	.	H	α-helix	trans	-47.1	-46.8	173.6	-68.6	-167.1	169.1	-158.8	0	113.1	G163 A169 I176 Q177	G163-K165 PolarHBondContact O-N 2.91Å; K165-A169 VanDerWaalsContact O-CB 3.25Å; K165-A169 WeakPolarHBondContact O-CB 3.37Å; K165-A169 PolarHBondContact O-N 3.26Å; K165-I176 WeakPolarHBondContact CE-O 3.46Å; K165-I176 HydrophobicContact CG-CG1 4.25Å; K165-Q177 VanDerWaalsContact CE-CB 3.5Å; K165-Q177 PolarHBondContact NZ-O 3.01Å
166	A	95.4	Very high	94.2	Very high	50 Å²	50	69.3 Å²	69.3	41%	0.413	38%	0.38	S	S	.	.	H	α-helix	trans	-71.6	-33.7	-176.8	0	0	0	0	0	111.9	G163 L164 E170	G163-A166 WeakPolarHBondContact O-CB 3.49Å; G163-A166 PolarHBondContact O-N 3.32Å; L164-A166 PolarHBondContact O-N 3.4Å; A166-E170 VanDerWaalsContact O-CB 3.24Å; A166-E170 WeakPolarHBondContact O-CB 3.27Å; A166-E170 PolarHBondContact O-N 3.17Å; A166-E170 VanDerWaalsContact O-N 3.12Å
167	L	96.9	Very high	93.8	Very high	0 Å²	0	64.9 Å²	64.9	0%	0	36%	0.356	C	S	.	.	H	α-helix	trans	-68.2	-48.5	174.5	-65.1	179.1	0	0	0	111.1	H129 F152 R162 G163 L164 A169 E170 Y171 L195	H129-L167 VanDerWaalsContact CE1-CD1 3.5Å; H129-L167 WeakPolarHBondContact CE1-CD1 3.5Å; F152-L167 HydrophobicContact CB-CD1 3.97Å; F152-L167 HydrophobicContact CB-CD2 3.42Å; F152-L167 VanDerWaalsContact CB-CD2 3.42Å; F152-L167 HydrophobicContact CB-CG 4.38Å; F152-L167 HydrophobicContact CD1-CD2 4.39Å; F152-L167 HydrophobicContact CD2-CD1 4.22Å; F152-L167 HydrophobicContact CG-CD1 4.32Å; F152-L167 HydrophobicContact CG-CD2 3.92Å; R162-L167 HydrophobicContact CB-CD2 3.81Å; R162-L167 HydrophobicContact CB-CG 4.07Å; R162-L167 HydrophobicContact CG-CD2 4.39Å; R162-L167 VanDerWaalsContact NE-CD2 3.32Å; G163-L167 PolarHBondContact O-N 2.96Å; L164-L167 WeakPolarHBondContact O-CB 3.37Å; L164-L167 PolarHBondContact O-N 3.5Å; L167-A169 PolarHBondContact O-N 3.2Å; L167-E170 PolarHBondContact O-N 3.06Å; L167-Y171 HydrophobicContact CB-CD2 4.31Å; L167-Y171 HydrophobicContact CD2-CD2 4.15Å; L167-Y171 HydrophobicContact CD2-CE2 3.69Å; L167-Y171 WeakPolarHBondContact O-CB 3.2Å; L167-Y171 VanDerWaalsContact O-CD2 3.25Å; L167-Y171 WeakPolarHBondContact O-CD2 3.25Å; L167-Y171 PolarHBondContact O-N 2.95Å; L167-L195 HydrophobicContact CB-CD1 3.96Å; L167-L195 HydrophobicContact CB-CD2 4.28Å; L167-L195 HydrophobicContact CD1-CD1 4.41Å
168	V	97	Very high	93.3	Very high	0 Å²	0	70.1 Å²	70.1	0%	0	37%	0.371	C	S	.	.	I	π-helix	trans	-63.5	-43.6	-178.9	174.4	0	0	0	0	111.1	L164 E170 L172 K173 K174 I176 V191 L195	L164-V168 HydrophobicContact CD1-CG2 4Å; L164-V168 HydrophobicContact CG-CG2 4.2Å; L164-V168 WeakPolarHBondContact O-CG2 3.45Å; L164-V168 PolarHBondContact O-N 3.45Å; V168-E170 PolarHBondContact O-N 3.48Å; V168-L172 HydrophobicContact CG1-CB 4.33Å; V168-L172 HydrophobicContact CG1-CD1 4.3Å; V168-L172 HydrophobicContact CG2-CD1 4.45Å; V168-L172 CarbonylContact O-C 3.47Å; V168-L172 WeakPolarHBondContact O-CA 3.23Å; V168-L172 WeakPolarHBondContact O-CB 3.13Å; V168-L172 PolarHBondContact O-N 3.43Å; V168-K173 PolarHBondContact O-N 2.96Å; V168-K174 HydrophobicContact CG1-CB 3.68Å; V168-K174 PolarHBondContact O-N 2.86Å; V168-I176 HydrophobicContact CB-CD1 4.11Å; V168-I176 HydrophobicContact CB-CG1 4.3Å; V168-I176 HydrophobicContact CG1-CD1 4.31Å; V168-I176 HydrophobicContact CG1-CG1 4.21Å; V168-I176 HydrophobicContact CG1-CG2 3.87Å; V168-I176 HydrophobicContact CG2-CD1 3.87Å; V168-V191 HydrophobicContact CG1-CG1 4.34Å; V168-V191 HydrophobicContact CG2-CB 3.77Å; V168-V191 HydrophobicContact CG2-CG1 4.33Å; V168-V191 HydrophobicContact CG2-CG2 3.73Å; V168-L195 HydrophobicContact CG2-CD1 4.02Å; V168-L195 HydrophobicContact CG2-CG 4.4Å
169	A	96.5	Very high	92.8	Very high	49 Å²	49	70.9 Å²	70.9	41%	0.405	36%	0.362	S	S	.	.	I	π-helix	trans	-63.7	-40.3	175.2	0	0	0	0	0	112.6	K165 L167 K173 K174	K165-A169 VanDerWaalsContact O-CB 3.25Å; K165-A169 WeakPolarHBondContact O-CB 3.37Å; K165-A169 PolarHBondContact O-N 3.26Å; L167-A169 PolarHBondContact O-N 3.2Å; A169-K173 WeakPolarHBondContact O-CA 3.38Å; A169-K174 VanDerWaalsContact CA-O 3.27Å; A169-K174 WeakPolarHBondContact CA-O 3.24Å; A169-K174 PolarHBondContact N-O 3Å
170	E	96	Very high	92	Very high	88 Å²	88	70.6 Å²	70.6	41%	0.411	37%	0.369	S	S	.	.	I	π-helix	trans	-72.5	-49.2	-179	-176.6	169.6	122.8	0	0	112.6	R162 A166 L167 V168 K173	R162-E170 IonicContact CZ-OE1 2.85Å; R162-E170 IonicContact CZ-OE2 3.41Å; R162-E170 IonicContact NH1-OE1 2.66Å; R162-E170 PolarHBondContact NH1-OE1 3.03Å; R162-E170 IonicContact NH1-OE2 3.4Å; R162-E170 PolarHBondContact NH1-OE2 3.06Å; R162-E170 IonicContact NH2-OE1 2.65Å; R162-E170 PolarHBondContact NH2-OE1 2.73Å; R162-E170 IonicContact NH2-OE2 3.37Å; R162-E170 PolarHBondContact NH2-OE2 3.19Å; A166-E170 VanDerWaalsContact O-CB 3.24Å; A166-E170 WeakPolarHBondContact O-CB 3.27Å; A166-E170 PolarHBondContact O-N 3.17Å; A166-E170 VanDerWaalsContact O-N 3.12Å; L167-E170 PolarHBondContact O-N 3.06Å; V168-E170 PolarHBondContact O-N 3.48Å; E170-K173 VanDerWaalsContact O-CE 3.31Å; E170-K173 WeakPolarHBondContact O-CE 3.31Å; E170-K173 PolarHBondContact O-NZ 3.12Å
171	Y	96	Very high	91.3	Very high	54 Å²	54	67.7 Å²	67.7	21%	0.212	37%	0.369	C	S	.	.	I	π-helix	trans	-96.2	-40.3	-168.1	-62.5	-62.6	0	0	0	113.1	F152 R162 L167 L195 W198	F152-Y171 AromaticContact CD1-CD2 3.92Å; F152-Y171 HydrophobicContact CD1-CD2 3.92Å; F152-Y171 AromaticContact CD1-CE2 3.37Å; F152-Y171 HydrophobicContact CD1-CE2 3.37Å; F152-Y171 AromaticContact CD1-CZ 3.75Å; F152-Y171 AromaticContact CE1-CD2 3.83Å; F152-Y171 HydrophobicContact CE1-CD2 3.83Å; F152-Y171 HydrophobicContact CE1-CE1 4.47Å; F152-Y171 AromaticContact CE1-CE2 3.71Å; F152-Y171 HydrophobicContact CE1-CE2 3.71Å; F152-Y171 HydrophobicContact CE1-CG 4.27Å; F152-Y171 HydrophobicContact CG-CE2 4.19Å; R162-Y171 PolarHBondContact NH1-OH 2.65Å; L167-Y171 HydrophobicContact CB-CD2 4.31Å; L167-Y171 HydrophobicContact CD2-CD2 4.15Å; L167-Y171 HydrophobicContact CD2-CE2 3.69Å; L167-Y171 WeakPolarHBondContact O-CB 3.2Å; L167-Y171 VanDerWaalsContact O-CD2 3.25Å; L167-Y171 WeakPolarHBondContact O-CD2 3.25Å; L167-Y171 PolarHBondContact O-N 2.95Å; Y171-L195 HydrophobicContact CD2-CD2 4.23Å; Y171-W198 HydrophobicContact CD1-CE3 4.2Å; Y171-W198 AromaticContact CD1-CH2 3.2Å; Y171-W198 HydrophobicContact CD1-CH2 3.2Å; Y171-W198 AromaticContact CD1-CZ2 3.7Å; Y171-W198 HydrophobicContact CD1-CZ2 3.7Å; Y171-W198 AromaticContact CD1-CZ3 3.48Å; Y171-W198 HydrophobicContact CD1-CZ3 3.48Å; Y171-W198 VanDerWaalsContact CD1-CZ3 3.48Å; Y171-W198 AromaticContact CE1-CH2 3.71Å; Y171-W198 HydrophobicContact CE1-CH2 3.71Å; Y171-W198 AromaticContact CE1-CZ3 3.98Å; Y171-W198 HydrophobicContact CE1-CZ3 3.98Å; Y171-W198 HydrophobicContact CG-CE3 4.29Å; Y171-W198 HydrophobicContact CG-CH2 4.06Å; Y171-W198 HydrophobicContact CG-CZ2 4.44Å; Y171-W198 AromaticContact CG-CZ3 3.97Å; Y171-W198 HydrophobicContact CG-CZ3 3.97Å; Y171-W198 PolarHBondContact O-NE1 3.15Å
172	L	96.3	Very high	90.6	Very high	30 Å²	30	63 Å²	63	16%	0.157	35%	0.35	C	S	.	.	I	π-helix	trans	-95.7	-10.9	-178.5	-55.1	-177.3	0	0	0	113.2	V168 K174 V191 E194 L195 W198	V168-L172 HydrophobicContact CG1-CB 4.33Å; V168-L172 HydrophobicContact CG1-CD1 4.3Å; V168-L172 HydrophobicContact CG2-CD1 4.45Å; V168-L172 CarbonylContact O-C 3.47Å; V168-L172 WeakPolarHBondContact O-CA 3.23Å; V168-L172 WeakPolarHBondContact O-CB 3.13Å; V168-L172 PolarHBondContact O-N 3.43Å; L172-K174 HydrophobicContact CB-CB 4.49Å; L172-K174 HydrophobicContact CB-CD 4.37Å; L172-K174 HydrophobicContact CB-CG 4.28Å; L172-K174 PolarHBondContact O-N 3.18Å; L172-V191 HydrophobicContact CD1-CB 4.47Å; L172-E194 HydrophobicContact CD1-CB 3.66Å; L172-E194 HydrophobicContact CD2-CB 4.46Å; L172-L195 HydrophobicContact CD1-CD2 4.1Å; L172-L195 HydrophobicContact CD1-CG 3.94Å; L172-L195 HydrophobicContact CD2-CD2 4.36Å; L172-L195 HydrophobicContact CG-CD2 3.87Å; L172-L195 HydrophobicContact CG-CG 4.28Å; L172-W198 HydrophobicContact CD2-CB 3.77Å; L172-W198 HydrophobicContact CD2-CG 4.07Å
173	K	95.8	Very high	90.1	Very high	164 Å²	164	63.7 Å²	63.7	71%	0.713	36%	0.355	S	S	*	.			trans	56.2	33	-175.2	-50	-53.8	-174.3	-167.8	0	112.9	V168 A169 E170	V168-K173 PolarHBondContact O-N 2.96Å; A169-K173 WeakPolarHBondContact O-CA 3.38Å; E170-K173 VanDerWaalsContact O-CE 3.31Å; E170-K173 WeakPolarHBondContact O-CE 3.31Å; E170-K173 PolarHBondContact O-NZ 3.12Å
174	K	94.4	Very high	89.8	Confident	92 Å²	92	64.9 Å²	64.9	40%	0.4	35%	0.351	S	S	.	.			trans	-110.8	151.8	176.9	-66.9	179.9	177.9	-174.2	0	110.5	V168 A169 L172 E194	V168-K174 HydrophobicContact CG1-CB 3.68Å; V168-K174 PolarHBondContact O-N 2.86Å; A169-K174 VanDerWaalsContact CA-O 3.27Å; A169-K174 WeakPolarHBondContact CA-O 3.24Å; A169-K174 PolarHBondContact N-O 3Å; L172-K174 HydrophobicContact CB-CB 4.49Å; L172-K174 HydrophobicContact CB-CD 4.37Å; L172-K174 HydrophobicContact CB-CG 4.28Å; L172-K174 PolarHBondContact O-N 3.18Å; K174-E194 WeakPolarHBondContact CE-OE2 3.17Å; K174-E194 IonicContact NZ-OE1 3.8Å; K174-E194 PolarHBondContact NZ-OE1 3.2Å; K174-E194 IonicContact NZ-OE2 3.57Å; K174-E194 PolarHBondContact NZ-OE2 3.47Å
175	I	91.5	Very high	89.5	Confident	130 Å²	130	64.2 Å²	64.2	67%	0.667	35%	0.348	S	S	*	.			trans	-109.6	133	172.1	-58.9	173.3	0	0	0	106.4	E178	I175-E178 HydrophobicContact CG2-CG 3.47Å; I175-E178 VanDerWaalsContact CG2-CG 3.47Å
176	I	91.3	Very high	89.5	Confident	7 Å²	7	64.4 Å²	64.4	4%	0.036	35%	0.349	C	S	.	.			trans	-135	158.7	-174.3	57.6	158.7	0	0	0	111.3	L164 K165 V168 E178 E187 V191	L164-I176 HydrophobicContact CD2-CD1 4.37Å; L164-I176 HydrophobicContact CG-CD1 4.08Å; K165-I176 WeakPolarHBondContact CE-O 3.46Å; K165-I176 HydrophobicContact CG-CG1 4.25Å; V168-I176 HydrophobicContact CB-CD1 4.11Å; V168-I176 HydrophobicContact CB-CG1 4.3Å; V168-I176 HydrophobicContact CG1-CD1 4.31Å; V168-I176 HydrophobicContact CG1-CG1 4.21Å; V168-I176 HydrophobicContact CG1-CG2 3.87Å; V168-I176 HydrophobicContact CG2-CD1 3.87Å; I176-E178 PolarHBondContact O-N 3.43Å; I176-E187 WeakPolarHBondContact CA-OE2 3.29Å; I176-E187 HydrophobicContact CB-CG 4.19Å; I176-E187 VanDerWaalsContact CB-OE2 3.3Å; I176-E187 WeakPolarHBondContact CB-OE2 3.28Å; I176-E187 HydrophobicContact CG2-CG 3.89Å; I176-V191 HydrophobicContact CD1-CG2 4.17Å; I176-V191 HydrophobicContact CG2-CG1 4.08Å
177	Q	84.9	Confident	89.5	Confident	20 Å²	20	65 Å²	65	9%	0.093	34%	0.343	C	S	.	.			trans	52.6	47	179.8	-39.6	160.3	-41.5	0	0	112.9	K165 D179 H183 E187 D188	K165-Q177 VanDerWaalsContact CE-CB 3.5Å; K165-Q177 PolarHBondContact NZ-O 3.01Å; Q177-D179 VanDerWaalsContact C-N 3.31Å; Q177-H183 HydrophobicContact CG-CB 4.27Å; Q177-H183 PolarHBondContact NE2-ND1 2.9Å; Q177-H183 VanDerWaalsContact NE2-ND1 3.19Å; Q177-E187 PolarHBondContact N-OE2 3.18Å; Q177-D188 WeakPolarHBondContact CG-OD1 3.37Å; Q177-D188 PolarHBondContact NE2-OD1 3.15Å; Q177-D188 PolarHBondContact NE2-OD2 2.78Å
178	E	82.4	Confident	89.4	Confident	144 Å²	144	65.2 Å²	65.2	67%	0.673	34%	0.344	S	S	*	.			trans	-81.2	-13	175.8	-70.5	-67.9	100.6	0	0	112.9	I175 I176	I175-E178 HydrophobicContact CG2-CG 3.47Å; I175-E178 VanDerWaalsContact CG2-CG 3.47Å; I176-E178 PolarHBondContact O-N 3.43Å
179	D	78.7	Confident	89.4	Confident	115 Å²	115	65.2 Å²	65.2	62%	0.615	34%	0.344	S	S	*	.			trans	-71.2	133.2	-177.9	-71.8	-38.7	0	0	0	111.9	Q177 S181 G182	Q177-D179 VanDerWaalsContact C-N 3.31Å; D179-S181 PolarHBondContact O-N 3.47Å; D179-G182 PolarHBondContact O-N 3.07Å
180	A	72.8	Confident	89.4	Confident	106 Å²	106	63.5 Å²	63.5	88%	0.876	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.1	-12	176.3	0	0	0	0	0	112.8	G182	A180-G182 VanDerWaalsContact C-N 3.25Å; A180-G182 PolarHBondContact O-N 3.04Å
181	S	77.8	Confident	89.5	Confident	82 Å²	82	59.6 Å²	59.6	57%	0.573	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.6	11.5	179.7	55	0	0	0	0	114	G96 D179	G96-S181 WeakPolarHBondContact CA-O 3.16Å; D179-S181 PolarHBondContact O-N 3.47Å
182	G	80.3	Confident	89.6	Confident	5 Å²	5	57.2 Å²	57.2	5%	0.052	30%	0.302	C	S	.	.			trans	99	-176.1	-178.7	0	0	0	0	0	112.9	D179 A180	D179-G182 PolarHBondContact O-N 3.07Å; A180-G182 VanDerWaalsContact C-N 3.25Å; A180-G182 PolarHBondContact O-N 3.04Å
183	H	83.1	Confident	89.7	Confident	54 Å²	54	56 Å²	56	25%	0.25	30%	0.296	C	S	.	.			trans	-75.8	149.9	-177.4	-59.7	170	0	0	0	111.7	R65 F94 Q177 D188	R65-H183 PolarHBondContact NH2-O 3.25Å; F94-H183 PolarHBondContact O-N 3.24Å; Q177-H183 HydrophobicContact CG-CB 4.27Å; Q177-H183 PolarHBondContact NE2-ND1 2.9Å; Q177-H183 VanDerWaalsContact NE2-ND1 3.19Å; H183-D188 IonicContact CG-OD2 2.74Å
184	D	88.5	Confident	89.8	Confident	69 Å²	69	50.3 Å²	50.3	37%	0.369	27%	0.272	S	S	.	.			trans	-95.5	101.5	166.5	-178.7	-0.3	0	0	0	109	K186 E187 D188	D184-K186 PolarHBondContact O-N 2.86Å; D184-K186 WeakPolarHBondContact OD1-CB 3.36Å; D184-K186 PolarHBondContact OD1-N 2.93Å; D184-E187 HydrophobicContact CB-CB 3.88Å; D184-E187 WeakPolarHBondContact O-CA 3.3Å; D184-E187 WeakPolarHBondContact O-CB 3.44Å; D184-E187 PolarHBondContact O-N 2.85Å; D184-D188 PolarHBondContact O-N 3.11Å
185	S	89.9	Confident	90	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-53.1	-29.2	177.6	56.7	0	0	0	0	114.3	D51 R65 T67 A189	D51-S185 WeakPolarHBondContact CB-O 2.89Å; D51-S185 WeakPolarHBondContact OD2-CA 3.49Å; D51-S185 WeakPolarHBondContact OD2-CB 3.44Å; R65-S185 PolarHBondContact NE-OG 3.42Å; R65-S185 VanDerWaalsContact NE-OG 3.1Å; R65-S185 PolarHBondContact NH2-OG 2.8Å; T67-S185 WeakPolarHBondContact CB-OG 3.32Å; T67-S185 WeakPolarHBondContact OG1-CB 3.48Å; T67-S185 PolarHBondContact OG1-OG 3.4Å; S185-A189 WeakPolarHBondContact O-CB 3.37Å; S185-A189 PolarHBondContact O-N 2.74Å
186	K	93.4	Very high	90.3	Very high	93 Å²	93	41 Å²	41	40%	0.404	23%	0.227	S	C	.	.	H	α-helix	trans	-70.6	-46	174.8	176.2	-169.5	172.7	-173.4	0	110.8	T67 V69 V75 D184 D188 S190	T67-K186 HydrophobicContact CG2-CB 4.11Å; V69-K186 HydrophobicContact CG1-CG 4.33Å; V75-K186 HydrophobicContact CG2-CB 4.36Å; V75-K186 HydrophobicContact CG2-CD 3.58Å; V75-K186 HydrophobicContact CG2-CG 3.62Å; D184-K186 PolarHBondContact O-N 2.86Å; D184-K186 WeakPolarHBondContact OD1-CB 3.36Å; D184-K186 PolarHBondContact OD1-N 2.93Å; K186-D188 VanDerWaalsContact C-N 3.3Å; K186-S190 VanDerWaalsContact O-CB 3.28Å; K186-S190 WeakPolarHBondContact O-CB 3.28Å; K186-S190 PolarHBondContact O-N 3.41Å; K186-S190 PolarHBondContact O-OG 2.87Å
187	E	95	Very high	90.5	Very high	64 Å²	64	45.7 Å²	45.7	30%	0.299	25%	0.248	S	C	.	.	H	α-helix	trans	-57.4	-48.5	176.7	-177.4	175.7	-120.9	0	0	109.5	I176 Q177 D184 S190 V191	I176-E187 WeakPolarHBondContact CA-OE2 3.29Å; I176-E187 HydrophobicContact CB-CG 4.19Å; I176-E187 VanDerWaalsContact CB-OE2 3.3Å; I176-E187 WeakPolarHBondContact CB-OE2 3.28Å; I176-E187 HydrophobicContact CG2-CG 3.89Å; Q177-E187 PolarHBondContact N-OE2 3.18Å; D184-E187 HydrophobicContact CB-CB 3.88Å; D184-E187 WeakPolarHBondContact O-CA 3.3Å; D184-E187 WeakPolarHBondContact O-CB 3.44Å; D184-E187 PolarHBondContact O-N 2.85Å; E187-S190 PolarHBondContact O-N 2.98Å; E187-V191 WeakPolarHBondContact O-CG1 3.33Å; E187-V191 WeakPolarHBondContact O-CG2 3.47Å; E187-V191 PolarHBondContact O-N 3.38Å
188	D	95.5	Very high	91.1	Very high	3 Å²	3	48.3 Å²	48.3	2%	0.016	26%	0.256	C	S	.	.	H	α-helix	trans	-63.4	-45.4	-177.8	-71.2	-25.6	0	0	0	113.2	D51 L164 Q177 H183 D184 K186 S190 V191 C192	D51-D188 HydrophobicContact CB-CB 4.39Å; L164-D188 HydrophobicContact CD2-CB 3.88Å; Q177-D188 WeakPolarHBondContact CG-OD1 3.37Å; Q177-D188 PolarHBondContact NE2-OD1 3.15Å; Q177-D188 PolarHBondContact NE2-OD2 2.78Å; H183-D188 IonicContact CG-OD2 2.74Å; D184-D188 PolarHBondContact O-N 3.11Å; K186-D188 VanDerWaalsContact C-N 3.3Å; D188-S190 VanDerWaalsContact C-N 3.34Å; D188-S190 PolarHBondContact O-N 2.91Å; D188-V191 WeakPolarHBondContact O-CG2 3.35Å; D188-C192 PolarHBondContact O-N 2.6Å; D188-C192 PolarHBondContact O-SG 2.75Å
189	A	96.8	Very high	91.7	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-64	-41	174.9	0	0	0	0	0	111.5	A49 D51 V69 S185 C192	A49-A189 HydrophobicContact CB-CB 4.12Å; A49-A189 WeakPolarHBondContact CB-O 3.49Å; D51-A189 HydrophobicContact CB-CB 4.03Å; V69-A189 HydrophobicContact CG1-CB 4.31Å; V69-A189 HydrophobicContact CG2-CB 3.71Å; S185-A189 WeakPolarHBondContact O-CB 3.37Å; S185-A189 PolarHBondContact O-N 2.74Å; A189-C192 WeakPolarHBondContact O-CB 3.32Å; A189-C192 PolarHBondContact O-N 3.15Å
190	S	97.7	Very high	92.5	Very high	14 Å²	14	43 Å²	43	10%	0.098	23%	0.23	C	C	.	.	H	α-helix	trans	-66	-45.2	-178.3	-59.1	0	0	0	0	112.3	K186 E187 D188 C192 I193 E194	K186-S190 VanDerWaalsContact O-CB 3.28Å; K186-S190 WeakPolarHBondContact O-CB 3.28Å; K186-S190 PolarHBondContact O-N 3.41Å; K186-S190 PolarHBondContact O-OG 2.87Å; E187-S190 PolarHBondContact O-N 2.98Å; D188-S190 VanDerWaalsContact C-N 3.34Å; D188-S190 PolarHBondContact O-N 2.91Å; S190-C192 PolarHBondContact O-N 2.94Å; S190-I193 WeakPolarHBondContact O-CB 3.43Å; S190-I193 PolarHBondContact O-N 2.81Å; S190-I193 VanDerWaalsContact O-N 3.12Å; S190-E194 PolarHBondContact O-N 2.99Å; S190-E194 VanDerWaalsContact O-N 3.1Å
191	V	97.8	Very high	93.5	Very high	6 Å²	6	40.5 Å²	40.5	4%	0.036	21%	0.209	C	C	.	.	H	α-helix	trans	-66.8	-24.9	179.2	-64.1	0	0	0	0	112.7	L164 V168 L172 I176 E187 D188 I193 E194 L195	L164-V191 HydrophobicContact CD1-CG2 4.09Å; L164-V191 HydrophobicContact CD2-CG2 3.89Å; L164-V191 HydrophobicContact CG-CG2 4.11Å; V168-V191 HydrophobicContact CG1-CG1 4.34Å; V168-V191 HydrophobicContact CG2-CB 3.77Å; V168-V191 HydrophobicContact CG2-CG1 4.33Å; V168-V191 HydrophobicContact CG2-CG2 3.73Å; L172-V191 HydrophobicContact CD1-CB 4.47Å; I176-V191 HydrophobicContact CD1-CG2 4.17Å; I176-V191 HydrophobicContact CG2-CG1 4.08Å; E187-V191 WeakPolarHBondContact O-CG1 3.33Å; E187-V191 WeakPolarHBondContact O-CG2 3.47Å; E187-V191 PolarHBondContact O-N 3.38Å; D188-V191 WeakPolarHBondContact O-CG2 3.35Å; V191-I193 VanDerWaalsContact C-N 3.35Å; V191-E194 PolarHBondContact O-N 3.1Å; V191-L195 WeakPolarHBondContact O-CB 3.22Å; V191-L195 WeakPolarHBondContact O-CG 3.12Å; V191-L195 PolarHBondContact O-N 3.37Å
192	C	98.2	Very high	94.2	Very high	3 Å²	3	41.8 Å²	41.8	2%	0.02	21%	0.206	C	C	.	.	H	α-helix	trans	-63.3	-41.4	172.2	-69.7	0	0	0	0	111.7	I127 T148 D188 A189 S190 M196	I127-C192 HydrophobicContact CG2-CB 3.98Å; T148-C192 HydrophobicContact CG2-CB 4.2Å; D188-C192 PolarHBondContact O-N 2.6Å; D188-C192 PolarHBondContact O-SG 2.75Å; A189-C192 WeakPolarHBondContact O-CB 3.32Å; A189-C192 PolarHBondContact O-N 3.15Å; S190-C192 PolarHBondContact O-N 2.94Å; C192-M196 WeakPolarHBondContact O-CG 3.3Å; C192-M196 PolarHBondContact O-N 3.35Å; C192-M196 VanDerWaalsContact O-N 3.16Å
193	I	98	Very high	94.4	Very high	4 Å²	4	46.3 Å²	46.3	2%	0.021	23%	0.229	C	C	.	.	H	α-helix	trans	-65.3	-45.1	174	-64.3	179.2	0	0	0	110.3	A49 V69 D70 L73 I127 S190 V191 L195 M196 K197	A49-I193 HydrophobicContact CB-CD1 3.71Å; A49-I193 HydrophobicContact CB-CG1 3.53Å; V69-I193 HydrophobicContact CG2-CD1 3.79Å; D70-I193 WeakPolarHBondContact O-CD1 3.5Å; L73-I193 HydrophobicContact CD2-CB 3.77Å; L73-I193 HydrophobicContact CD2-CD1 3.97Å; L73-I193 HydrophobicContact CD2-CG1 4.4Å; L73-I193 HydrophobicContact CD2-CG2 3.77Å; I127-I193 HydrophobicContact CD1-CG1 4.49Å; S190-I193 WeakPolarHBondContact O-CB 3.43Å; S190-I193 PolarHBondContact O-N 2.81Å; S190-I193 VanDerWaalsContact O-N 3.12Å; V191-I193 VanDerWaalsContact C-N 3.35Å; I193-L195 VanDerWaalsContact C-N 3.35Å; I193-L195 PolarHBondContact O-N 3.24Å; I193-M196 PolarHBondContact O-N 2.67Å; I193-K197 HydrophobicContact CG2-CD 4.15Å; I193-K197 HydrophobicContact CG2-CG 4.38Å; I193-K197 WeakPolarHBondContact O-CG 3.13Å; I193-K197 PolarHBondContact O-N 3.21Å
194	E	98	Very high	93.8	Very high	45 Å²	45	48.4 Å²	48.4	21%	0.21	25%	0.248	C	C	.	.	H	α-helix	trans	-61.4	-41.6	178.5	-66.5	-174.3	-173	0	0	112.5	L73 L172 K174 S190 V191 M196 K197 W198	L73-E194 HydrophobicContact CD1-CG 4.28Å; L172-E194 HydrophobicContact CD1-CB 3.66Å; L172-E194 HydrophobicContact CD2-CB 4.46Å; K174-E194 WeakPolarHBondContact CE-OE2 3.17Å; K174-E194 IonicContact NZ-OE1 3.8Å; K174-E194 PolarHBondContact NZ-OE1 3.2Å; K174-E194 IonicContact NZ-OE2 3.57Å; K174-E194 PolarHBondContact NZ-OE2 3.47Å; S190-E194 PolarHBondContact O-N 2.99Å; S190-E194 VanDerWaalsContact O-N 3.1Å; V191-E194 PolarHBondContact O-N 3.1Å; E194-M196 VanDerWaalsContact C-N 3.29Å; E194-M196 PolarHBondContact O-N 3.15Å; E194-K197 PolarHBondContact O-N 3.19Å; E194-W198 WeakPolarHBondContact O-CB 3.28Å; E194-W198 PolarHBondContact O-N 3.45Å
195	L	98.1	Very high	92.1	Very high	0 Å²	0	58.6 Å²	58.6	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-58.7	-41.7	174.4	-81.9	171.7	0	0	0	111.3	F152 L164 L167 V168 Y171 L172 V191 I193 W198 K199	F152-L195 HydrophobicContact CE2-CB 4.13Å; F152-L195 HydrophobicContact CE2-CD2 4.48Å; F152-L195 HydrophobicContact CZ-CB 4.42Å; F152-L195 HydrophobicContact CZ-CD2 4.35Å; L164-L195 HydrophobicContact CD1-CD1 3.74Å; L167-L195 HydrophobicContact CB-CD1 3.96Å; L167-L195 HydrophobicContact CB-CD2 4.28Å; L167-L195 HydrophobicContact CD1-CD1 4.41Å; V168-L195 HydrophobicContact CG2-CD1 4.02Å; V168-L195 HydrophobicContact CG2-CG 4.4Å; Y171-L195 HydrophobicContact CD2-CD2 4.23Å; L172-L195 HydrophobicContact CD1-CD2 4.1Å; L172-L195 HydrophobicContact CD1-CG 3.94Å; L172-L195 HydrophobicContact CD2-CD2 4.36Å; L172-L195 HydrophobicContact CG-CD2 3.87Å; L172-L195 HydrophobicContact CG-CG 4.28Å; V191-L195 WeakPolarHBondContact O-CB 3.22Å; V191-L195 WeakPolarHBondContact O-CG 3.12Å; V191-L195 PolarHBondContact O-N 3.37Å; I193-L195 VanDerWaalsContact C-N 3.35Å; I193-L195 PolarHBondContact O-N 3.24Å; L195-W198 PolarHBondContact O-N 3.38Å; L195-K199 WeakPolarHBondContact O-CB 3.39Å; L195-K199 PolarHBondContact O-N 2.03Å
196	M	97.6	Very high	92.2	Very high	26 Å²	26	61.6 Å²	61.6	13%	0.128	30%	0.296	C	S	.	.	H	α-helix	trans	-70.4	-40.7	177.3	-69.8	-51.4	-52	0	0	112.4	I127 V146 T148 V151 C192 I193 E194 W198 K199 I200	I127-M196 HydrophobicContact CD1-CB 4.35Å; I127-M196 HydrophobicContact CD1-CG 4.21Å; I127-M196 HydrophobicContact CG2-CG 3.88Å; V146-M196 HydrophobicContact CG1-CE 3.73Å; V146-M196 HydrophobicContact CG1-CG 4.1Å; V146-M196 HydrophobicContact CG1-SD 3.65Å; T148-M196 HydrophobicContact CG2-CG 4.16Å; T148-M196 HydrophobicContact CG2-SD 4.14Å; V151-M196 HydrophobicContact CB-SD 4.38Å; V151-M196 HydrophobicContact CG1-CE 4.36Å; V151-M196 HydrophobicContact CG1-SD 4.06Å; V151-M196 HydrophobicContact CG2-CE 4.42Å; V151-M196 HydrophobicContact CG2-SD 4.09Å; C192-M196 WeakPolarHBondContact O-CG 3.3Å; C192-M196 PolarHBondContact O-N 3.35Å; C192-M196 VanDerWaalsContact O-N 3.16Å; I193-M196 PolarHBondContact O-N 2.67Å; E194-M196 VanDerWaalsContact C-N 3.29Å; E194-M196 PolarHBondContact O-N 3.15Å; M196-W198 VanDerWaalsContact C-N 3.31Å; M196-W198 PolarHBondContact O-N 3.42Å; M196-K199 PolarHBondContact O-N 3.47Å; M196-I200 WeakPolarHBondContact O-CD1 3.21Å; M196-I200 VanDerWaalsContact O-CG1 3.28Å; M196-I200 WeakPolarHBondContact O-CG1 3.29Å; M196-I200 PolarHBondContact O-N 3.41Å
197	K	96.5	Very high	92.2	Very high	107 Å²	107	59.9 Å²	59.9	47%	0.465	29%	0.29	S	S	.	.	H	α-helix	trans	-59	-43.5	172.5	-73.5	179.5	179.2	174.4	0	111	G71 I193 E194 A201	G71-K197 PolarHBondContact O-NZ 3.45Å; I193-K197 HydrophobicContact CG2-CD 4.15Å; I193-K197 HydrophobicContact CG2-CG 4.38Å; I193-K197 WeakPolarHBondContact O-CG 3.13Å; I193-K197 PolarHBondContact O-N 3.21Å; E194-K197 PolarHBondContact O-N 3.19Å; K197-A201 WeakPolarHBondContact O-CB 3.49Å; K197-A201 PolarHBondContact O-N 3.09Å
198	W	96.6	Very high	92	Very high	74 Å²	74	59.7 Å²	59.7	28%	0.28	29%	0.29	S	S	.	.	H	α-helix	trans	-60.9	-48.1	173.9	-179.4	91.8	0	0	0	111.2	F152 Y171 L172 E194 L195 M196 I200 A201 Q202	F152-W198 HydrophobicContact CE1-CE3 4.28Å; F152-W198 AromaticContact CE1-CZ3 4Å; F152-W198 HydrophobicContact CE1-CZ3 4Å; F152-W198 HydrophobicContact CZ-CE3 4.35Å; Y171-W198 HydrophobicContact CD1-CE3 4.2Å; Y171-W198 AromaticContact CD1-CH2 3.2Å; Y171-W198 HydrophobicContact CD1-CH2 3.2Å; Y171-W198 AromaticContact CD1-CZ2 3.7Å; Y171-W198 HydrophobicContact CD1-CZ2 3.7Å; Y171-W198 AromaticContact CD1-CZ3 3.48Å; Y171-W198 HydrophobicContact CD1-CZ3 3.48Å; Y171-W198 VanDerWaalsContact CD1-CZ3 3.48Å; Y171-W198 AromaticContact CE1-CH2 3.71Å; Y171-W198 HydrophobicContact CE1-CH2 3.71Å; Y171-W198 AromaticContact CE1-CZ3 3.98Å; Y171-W198 HydrophobicContact CE1-CZ3 3.98Å; Y171-W198 HydrophobicContact CG-CE3 4.29Å; Y171-W198 HydrophobicContact CG-CH2 4.06Å; Y171-W198 HydrophobicContact CG-CZ2 4.44Å; Y171-W198 AromaticContact CG-CZ3 3.97Å; Y171-W198 HydrophobicContact CG-CZ3 3.97Å; Y171-W198 PolarHBondContact O-NE1 3.15Å; L172-W198 HydrophobicContact CD2-CB 3.77Å; L172-W198 HydrophobicContact CD2-CG 4.07Å; E194-W198 WeakPolarHBondContact O-CB 3.28Å; E194-W198 PolarHBondContact O-N 3.45Å; L195-W198 PolarHBondContact O-N 3.38Å; M196-W198 VanDerWaalsContact C-N 3.31Å; M196-W198 PolarHBondContact O-N 3.42Å; W198-I200 PolarHBondContact O-N 3Å; W198-A201 PolarHBondContact O-N 2.78Å; W198-Q202 HydrophobicContact CD2-CG 3.9Å; W198-Q202 HydrophobicContact CE3-CG 4.07Å; W198-Q202 HydrophobicContact CH2-CG 3.78Å; W198-Q202 HydrophobicContact CZ2-CG 3.62Å; W198-Q202 HydrophobicContact CZ3-CG 4Å; W198-Q202 VanDerWaalsContact O-CG 3.3Å; W198-Q202 WeakPolarHBondContact O-CG 3.44Å; W198-Q202 PolarHBondContact O-N 3.01Å
199	K	96	Very high	91.8	Very high	49 Å²	49	63 Å²	63	21%	0.213	31%	0.306	C	S	.	.	H	α-helix	trans	-60.4	-45.4	-179.1	-172.5	64.1	171.4	77.3	0	112.1	V151 F152 L195 M196 A201 Q202 D203	V151-K199 HydrophobicContact CG1-CG 4.2Å; F152-K199 HydrophobicContact CE1-CD 4.02Å; F152-K199 HydrophobicContact CZ-CB 4Å; F152-K199 HydrophobicContact CZ-CD 4.1Å; F152-K199 HydrophobicContact CZ-CG 4.32Å; L195-K199 WeakPolarHBondContact O-CB 3.39Å; L195-K199 PolarHBondContact O-N 2.03Å; M196-K199 PolarHBondContact O-N 3.47Å; K199-A201 VanDerWaalsContact C-N 3.34Å; K199-Q202 PolarHBondContact O-N 3.19Å; K199-D203 IonicContact NZ-OD1 2.72Å; K199-D203 PolarHBondContact NZ-OD1 3.26Å; K199-D203 IonicContact NZ-OD2 3.61Å; K199-D203 PolarHBondContact NZ-OD2 3.23Å; K199-D203 PolarHBondContact O-N 3.13Å
200	I	95.2	Very high	91.5	Very high	100 Å²	100	66.9 Å²	66.9	51%	0.513	33%	0.325	S	S	.	.	H	α-helix	trans	-61	-45.6	177	-68.1	163.1	0	0	0	110.2	M196 W198 Q202 D203 C204	M196-I200 WeakPolarHBondContact O-CD1 3.21Å; M196-I200 VanDerWaalsContact O-CG1 3.28Å; M196-I200 WeakPolarHBondContact O-CG1 3.29Å; M196-I200 PolarHBondContact O-N 3.41Å; W198-I200 PolarHBondContact O-N 3Å; I200-Q202 PolarHBondContact O-N 3.27Å; I200-D203 PolarHBondContact O-N 2.82Å; I200-C204 PolarHBondContact O-N 3.01Å; I200-C204 VanDerWaalsContact O-N 3.1Å; I200-C204 PolarHBondContact O-SG 2.79Å
201	A	94.4	Very high	91.1	Very high	53 Å²	53	70.5 Å²	70.5	44%	0.438	34%	0.34	S	S	.	.	H	α-helix	trans	-61.6	-29.6	177.7	0	0	0	0	0	112.9	K197 W198 K199 W205	K197-A201 WeakPolarHBondContact O-CB 3.49Å; K197-A201 PolarHBondContact O-N 3.09Å; W198-A201 PolarHBondContact O-N 2.78Å; K199-A201 VanDerWaalsContact C-N 3.34Å; A201-W205 VanDerWaalsContact O-CD1 3.22Å
202	Q	90.8	Very high	90.6	Very high	109 Å²	109	75.1 Å²	75.1	51%	0.509	36%	0.362	S	S	.	.	H	α-helix	trans	-81.7	-31.6	177.1	-65.8	-65.5	108.6	0	0	113.6	W198 K199 I200	W198-Q202 HydrophobicContact CD2-CG 3.9Å; W198-Q202 HydrophobicContact CE3-CG 4.07Å; W198-Q202 HydrophobicContact CH2-CG 3.78Å; W198-Q202 HydrophobicContact CZ2-CG 3.62Å; W198-Q202 HydrophobicContact CZ3-CG 4Å; W198-Q202 VanDerWaalsContact O-CG 3.3Å; W198-Q202 WeakPolarHBondContact O-CG 3.44Å; W198-Q202 PolarHBondContact O-N 3.01Å; K199-Q202 PolarHBondContact O-N 3.19Å; I200-Q202 PolarHBondContact O-N 3.27Å
203	D	85.6	Confident	90	Very high	100 Å²	100	80.6 Å²	80.6	54%	0.535	39%	0.388	S	S	.	.	H	α-helix	trans	-83.7	-19.1	-178.9	-69.8	-11.6	0	0	0	113.2	K199 I200 W205	K199-D203 IonicContact NZ-OD1 2.72Å; K199-D203 PolarHBondContact NZ-OD1 3.26Å; K199-D203 IonicContact NZ-OD2 3.61Å; K199-D203 PolarHBondContact NZ-OD2 3.23Å; K199-D203 PolarHBondContact O-N 3.13Å; I200-D203 PolarHBondContact O-N 2.82Å; D203-W205 PolarHBondContact O-N 2.8Å
204	C	71.1	Confident	89.4	Confident	97 Å²	97	87 Å²	87	66%	0.655	42%	0.419	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.2	7.1	177.4	-70.8	0	0	0	0	114.4	I200	I200-C204 PolarHBondContact O-N 3.01Å; I200-C204 VanDerWaalsContact O-N 3.1Å; I200-C204 PolarHBondContact O-SG 2.79Å
205	W	52.4	Low	88.6	Confident	284 Å²	284	90.8 Å²	90.8	100%	1.076	44%	0.438	S	S	*	.			trans	-130.4	0	176	-63.8	94.4	0	0	0	111	A201 D203	A201-W205 VanDerWaalsContact O-CD1 3.22Å; D203-W205 PolarHBondContact O-N 2.8Å

Retrieved 205 of 205 residues in 246.8 ms (Link to these results)

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