A0A077YZ18_TRITR Loading...

SPRY domain containing protein

AlphaFold DB , UniProt , Accession A0A077YZ18, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 247 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	36.9	Very low	37.1	Very low	248 Å²	248	169.8 Å²	169.8	100%	1.222	82%	0.821	S	S	*	*				0	127.8	0	-155.1	171.5	-153.6	0	0	107.6
2	R	37.9	Very low	37.1	Very low	244 Å²	244	164 Å²	164	92%	0.921	81%	0.811	S	S	*	*			trans	-15.4	114.9	-169.9	-66.2	177.1	178.8	-163.1	-1.6	118	C4	R2-C4 PolarHBondContact O-N 3.08Å
3	I	40.6	Very low	37.3	Very low	161 Å²	161	166.5 Å²	166.5	83%	0.826	82%	0.815	S	S	*	*			trans	-60.8	117.5	151.5	-64.4	167.9	0	0	0	105.7	Q5	I3-Q5 PolarHBondContact O-N 3.07Å
4	C	39.9	Very low	37.2	Very low	107 Å²	107	163.6 Å²	163.6	72%	0.723	80%	0.804	S	S	*	*			trans	-63	105.1	179.6	-161.6	0	0	0	0	108.5	R2 C6	R2-C4 PolarHBondContact O-N 3.08Å; C4-C6 PolarHBondContact O-N 2.89Å
5	Q	38.4	Very low	36.8	Very low	181 Å²	181	156.9 Å²	156.9	85%	0.846	79%	0.794	S	S	*	*			trans	-70.3	73.3	167.5	-72	174.7	-20.2	0	0	108.8	I3 L7	I3-Q5 PolarHBondContact O-N 3.07Å; Q5-L7 VanDerWaalsContact C-N 3.26Å
6	C	36.5	Very low	37.1	Very low	95 Å²	95	158.4 Å²	158.4	64%	0.642	81%	0.805	S	S	*	*			trans	-97	57.2	156.4	-87.5	0	0	0	0	108.9	C4 R8	C4-C6 PolarHBondContact O-N 2.89Å; C6-R8 PolarHBondContact O-N 3.23Å
7	L	38.9	Very low	37.5	Very low	164 Å²	164	154.2 Å²	154.2	86%	0.859	79%	0.793	S	S	*	*			trans	-73.3	66.9	147.2	-75.8	162.7	0	0	0	106.6	Q5 T9	Q5-L7 VanDerWaalsContact C-N 3.26Å; L7-T9 VanDerWaalsContact C-N 3.28Å; L7-T9 PolarHBondContact O-N 2.77Å
8	R	33.7	Very low	38.5	Very low	206 Å²	206	152.8 Å²	152.8	78%	0.777	79%	0.787	S	S	*	*			trans	-65.8	103.7	158.7	-85.5	-171.7	179.2	-169.4	0.5	104.7	C6 K10	C6-R8 PolarHBondContact O-N 3.23Å; R8-K10 PolarHBondContact O-N 2.81Å
9	T	34.7	Very low	39.8	Very low	119 Å²	119	148.3 Å²	148.3	73%	0.73	76%	0.761	S	S	*	*			trans	-40	123.1	157.3	31.3	0	0	0	0	107.7	L7 K11	L7-T9 VanDerWaalsContact C-N 3.28Å; L7-T9 PolarHBondContact O-N 2.77Å; T9-K11 PolarHBondContact O-N 3.11Å
10	K	40.3	Very low	41.4	Very low	162 Å²	162	143 Å²	143	70%	0.704	74%	0.737	S	S	*	*	S	Bend	trans	-56.2	84.2	170	-80.5	-177.3	172.5	-174.7	0	108.2	R8 D81	R8-K10 PolarHBondContact O-N 2.81Å; K10-D81 IonicContact NZ-OD2 2.71Å; K10-D81 PolarHBondContact NZ-OD2 3.13Å
11	K	30.7	Very low	43.2	Very low	181 Å²	181	138 Å²	138	79%	0.787	72%	0.715	S	S	*	*			trans	-145.2	132.1	169.9	-84.4	-167.3	173.8	-177.2	0	108.4	T9	T9-K11 PolarHBondContact O-N 3.11Å
12	S	36.6	Very low	45.2	Very low	100 Å²	100	127.5 Å²	127.5	70%	0.699	66%	0.662	S	S	*	*			trans	62.3	100.3	167.2	65.6	0	0	0	0	117.1
13	F	39.8	Very low	46.9	Very low	197 Å²	197	121.5 Å²	121.5	86%	0.864	66%	0.658	S	S	*	*	S	Bend		-153.8	-6.8	126.2	-95.4	-68.3	0	0	0	113.3
14	L	35.9	Very low	48.7	Very low	126 Å²	126	117.9 Å²	117.9	66%	0.66	64%	0.64	S	S	*	*	S	Bend	trans	-128.8	132.4	161.2	-67.7	165.9	0	0	0	107
15	G	31.9	Very low	50.9	Low	63 Å²	63	113.9 Å²	113.9	65%	0.649	61%	0.614	S	S	*	*			trans	-51.9	150.6	-171.5	0	0	0	0	0	113.3	S17	G15-S17 PolarHBondContact O-N 3.42Å; G15-S17 PolarHBondContact O-OG 3.28Å; G15-S17 VanDerWaalsContact O-OG 3.11Å
16	D	41.5	Very low	53.2	Low	181 Å²	181	105.3 Å²	105.3	97%	0.968	57%	0.574	S	S	*	*	S	Bend	trans	-31.5	92.1	178.3	-75.5	-32.3	0	0	0	113.2
17	S	44	Very low	55.7	Low	87 Å²	87	102.8 Å²	102.8	61%	0.608	56%	0.555	S	S	*	*			trans	-161.4	99.2	165.2	48.6	0	0	0	0	106.9	G15 F19	G15-S17 PolarHBondContact O-N 3.42Å; G15-S17 PolarHBondContact O-OG 3.28Å; G15-S17 VanDerWaalsContact O-OG 3.11Å; S17-F19 PolarHBondContact O-N 3.18Å
18	N	54.7	Low	58.2	Low	128 Å²	128	95.1 Å²	95.1	68%	0.684	51%	0.514	S	S	*	.			trans	-57.8	96.7	146.6	-78.4	7.6	0	0	0	104.2	C20 E198	N18-C20 PolarHBondContact O-N 2.99Å; N18-E198 PolarHBondContact ND2-OE1 3.4Å
19	F	62.9	Low	60.9	Low	67 Å²	67	87.6 Å²	87.6	29%	0.294	49%	0.493	S	S	.	.			trans	-64.8	103.8	-178.9	176.2	-89.2	0	0	0	107	S17 P21 Y161	S17-F19 PolarHBondContact O-N 3.18Å; F19-P21 HydrophobicContact CE1-CB 4.24Å; F19-P21 HydrophobicContact CZ-CB 4.46Å; F19-Y161 HydrophobicContact CD1-CD1 4.06Å; F19-Y161 HydrophobicContact CD1-CE1 4.36Å; F19-Y161 AromaticContact CE1-CD1 3.28Å; F19-Y161 HydrophobicContact CE1-CD1 3.28Å; F19-Y161 AromaticContact CE1-CE1 3.21Å; F19-Y161 HydrophobicContact CE1-CE1 3.21Å; F19-Y161 HydrophobicContact CE1-CG 4.14Å; F19-Y161 AromaticContact CE1-CZ 3.99Å; F19-Y161 AromaticContact CZ-CD1 3.84Å; F19-Y161 HydrophobicContact CZ-CD1 3.84Å; F19-Y161 AromaticContact CZ-CE1 3.44Å; F19-Y161 HydrophobicContact CZ-CE1 3.44Å; F19-Y161 VanDerWaalsContact CZ-CE1 3.44Å
20	C	72.2	Confident	63.7	Low	42 Å²	42	82.1 Å²	82.1	28%	0.284	46%	0.459	S	S	.	.			trans	-107.9	123.9	168.5	176.5	0	0	0	0	106.1	N18 F22	N18-C20 PolarHBondContact O-N 2.99Å; C20-F22 PolarHBondContact O-N 2.74Å; C20-F22 PolarHBondContact SG-N 3.38Å; C20-F22 PolarHBondContact SG-O 3.3Å
21	P	79.5	Confident	66.3	Low	40 Å²	40	75.7 Å²	75.7	26%	0.26	43%	0.434	S	S	.	.	S	Bend	trans	-63.4	-10	178.1	27.2	-34.7	0	0	0	112.3	F19 Y77 L150	F19-P21 HydrophobicContact CE1-CB 4.24Å; F19-P21 HydrophobicContact CZ-CB 4.46Å; P21-Y77 HydrophobicContact CG-CD1 4.25Å; P21-Y77 HydrophobicContact CG-CD2 3.61Å; P21-Y77 HydrophobicContact CG-CE2 4.11Å; P21-Y77 HydrophobicContact CG-CG 3.67Å; P21-L150 HydrophobicContact CB-CD2 4.43Å; P21-L150 HydrophobicContact CG-CD1 4.45Å
22	F	77.7	Confident	69.5	Low	26 Å²	26	67.5 Å²	67.5	11%	0.114	40%	0.398	C	S	.	.			trans	-109.8	130.1	-179.5	-44.1	-56.6	0	0	0	111.9	C20 A25 Q75 Y77 L150 K200 T202	C20-F22 PolarHBondContact O-N 2.74Å; C20-F22 PolarHBondContact SG-N 3.38Å; C20-F22 PolarHBondContact SG-O 3.3Å; F22-A25 HydrophobicContact CB-CB 3.55Å; F22-A25 HydrophobicContact CD2-CB 3.68Å; F22-A25 HydrophobicContact CG-CB 3.97Å; F22-Q75 HydrophobicContact CE1-CB 3.64Å; F22-Q75 HydrophobicContact CE1-CG 4.42Å; F22-Q75 HydrophobicContact CZ-CB 3.53Å; F22-Y77 VanDerWaalsContact CE2-CB 3.45Å; F22-L150 HydrophobicContact CE1-CD1 3.74Å; F22-L150 HydrophobicContact CE2-CD1 4.29Å; F22-L150 HydrophobicContact CZ-CD1 3.28Å; F22-K200 HydrophobicContact CD2-CB 4.06Å; F22-K200 HydrophobicContact CE2-CB 4.22Å; F22-T202 HydrophobicContact CD1-CG2 4.05Å; F22-T202 HydrophobicContact CE1-CG2 4Å; F22-T202 HydrophobicContact CG-CG2 4.44Å; F22-T202 HydrophobicContact CZ-CG2 4.32Å
23	S	73.6	Confident	72.3	Confident	119 Å²	119	66.5 Å²	66.5	83%	0.832	38%	0.384	S	S	*	.	S	Bend	trans	-79	-21.1	163.9	56.8	0	0	0	0	112.9
24	N	78.7	Confident	74.5	Confident	85 Å²	85	59.3 Å²	59.3	46%	0.455	36%	0.358	S	S	.	.	S	Bend	trans	-129.2	73.3	-175.2	-71.6	-61.4	0	0	0	111.2	R209	N24-R209 PolarHBondContact OD1-NH2 3.09Å
25	A	86.9	Confident	76.7	Confident	22 Å²	22	55.3 Å²	55.3	18%	0.182	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	165.6	178	0	0	0	0	0	112.2	F22 K200 R201	F22-A25 HydrophobicContact CB-CB 3.55Å; F22-A25 HydrophobicContact CD2-CB 3.68Å; F22-A25 HydrophobicContact CG-CB 3.97Å; A25-K200 HydrophobicContact CB-CB 4.2Å; A25-R201 WeakPolarHBondContact CA-O 3.22Å; A25-R201 VanDerWaalsContact CB-O 3.3Å; A25-R201 WeakPolarHBondContact CB-O 3.2Å
26	C	87.3	Confident	79.1	Confident	1 Å²	1	62.2 Å²	62.2	1%	0.007	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	162	169.9	54.4	0	0	0	0	110.7	K200 R201 F203 W212	C26-K200 CarbonylContact O-C 3.54Å; C26-K200 VanDerWaalsContact O-CA 3.27Å; C26-K200 WeakPolarHBondContact O-CA 3.45Å; C26-R201 PolarHBondContact N-O 2.77Å; C26-R201 PolarHBondContact O-N 3.11Å; C26-R201 VanDerWaalsContact SG-CG 3.51Å; C26-F203 HydrophobicContact CB-CD1 4.49Å; C26-F203 HydrophobicContact CB-CE1 3.61Å; C26-F203 HydrophobicContact CB-CZ 3.8Å; C26-W212 HydrophobicContact CB-CD2 3.99Å; C26-W212 HydrophobicContact CB-CG 3.86Å; C26-W212 HydrophobicContact CB-CZ2 4.23Å
27	D	88.9	Confident	80.9	Confident	43 Å²	43	58 Å²	58	23%	0.23	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63	138.3	174.1	-62.4	-37	0	0	0	110.1	T199 K200	D27-T199 CarbonylContact C-O 3.58Å; D27-T199 WeakPolarHBondContact CA-O 3.44Å; D27-K200 IonicContact OD1-NZ 3.58Å; D27-K200 PolarHBondContact OD1-NZ 3.27Å
28	D	91	Very high	82.8	Confident	2 Å²	2	56.1 Å²	56.1	1%	0.011	34%	0.336	C	S	.	.			trans	-110.4	129.8	174.8	-155.7	20	0	0	0	110.8	R49 R68 T199 R201	D28-R49 PolarHBondContact O-NH2 3.2Å; D28-R68 IonicContact OD1-CZ 2.63Å; D28-R68 IonicContact OD1-NH1 2.65Å; D28-R68 IonicContact OD1-NH2 3.7Å; D28-R68 PolarHBondContact OD1-NH2 3.16Å; D28-R68 IonicContact OD2-NH2 2.7Å; D28-R68 PolarHBondContact OD2-NH2 2.82Å; D28-T199 PolarHBondContact N-O 2.82Å; D28-T199 WeakPolarHBondContact O-CB 3.45Å; D28-T199 PolarHBondContact O-OG1 3.45Å; D28-R201 HydrophobicContact CB-CB 4.3Å; D28-R201 HydrophobicContact CB-CG 4.22Å
29	S	89.1	Confident	84.2	Confident	48 Å²	48	55 Å²	55	34%	0.336	33%	0.334	S	S	.	.			trans	-102.1	15	-163.5	55	0	0	0	0	115.6	R242	S29-R242 PolarHBondContact OG-O 2.85Å
30	W	94.4	Very high	85.5	Confident	4 Å²	4	52.5 Å²	52.5	2%	0.015	33%	0.325	C	S	.	.			trans	-65.8	156.3	174.4	72.4	-92.5	0	0	0	111.9	W32 D67 R68 W78 P183 L196 T199	W30-W32 AromaticContact CH2-CH2 3.89Å; W30-W32 HydrophobicContact CH2-CH2 3.89Å; W30-W32 HydrophobicContact CH2-CZ2 4.25Å; W30-W32 HydrophobicContact CH2-CZ3 4.15Å; W30-W32 HydrophobicContact CZ3-CD2 4.38Å; W30-W32 HydrophobicContact CZ3-CE3 4.07Å; W30-W32 HydrophobicContact CZ3-CH2 4.05Å; W30-W32 HydrophobicContact CZ3-CZ2 4.37Å; W30-W32 AromaticContact CZ3-CZ3 3.9Å; W30-W32 HydrophobicContact CZ3-CZ3 3.9Å; W30-D67 WeakPolarHBondContact CA-OD1 3.13Å; W30-D67 VanDerWaalsContact CB-OD1 3.3Å; W30-D67 WeakPolarHBondContact CB-OD1 3.38Å; W30-R68 HydrophobicContact CB-CG 3.9Å; W30-W78 HydrophobicContact CH2-CG 4.29Å; W30-W78 HydrophobicContact CZ2-CB 3.85Å; W30-W78 AromaticContact CZ2-CD1 3.89Å; W30-W78 AromaticContact CZ2-CD2 3.98Å; W30-W78 HydrophobicContact CZ2-CD2 3.98Å; W30-W78 AromaticContact CZ2-CG 3.63Å; W30-W78 HydrophobicContact CZ2-CG 3.63Å; W30-P183 HydrophobicContact CD2-CG 4.32Å; W30-P183 HydrophobicContact CE3-CG 4.19Å; W30-P183 HydrophobicContact CH2-CB 3.38Å; W30-P183 HydrophobicContact CH2-CG 3.57Å; W30-P183 HydrophobicContact CZ2-CB 3.88Å; W30-P183 HydrophobicContact CZ2-CG 3.65Å; W30-P183 HydrophobicContact CZ3-CB 3.81Å; W30-P183 HydrophobicContact CZ3-CG 3.85Å; W30-L196 HydrophobicContact CD2-CD2 4.32Å; W30-L196 HydrophobicContact CE3-CD2 3.99Å; W30-L196 HydrophobicContact CH2-CD1 3.64Å; W30-L196 HydrophobicContact CH2-CD2 3.69Å; W30-L196 HydrophobicContact CH2-CG 4.33Å; W30-L196 HydrophobicContact CZ2-CD1 3.76Å; W30-L196 HydrophobicContact CZ2-CD2 4.08Å; W30-L196 HydrophobicContact CZ3-CD1 4.44Å; W30-L196 HydrophobicContact CZ3-CD2 3.66Å; W30-T199 HydrophobicContact CZ2-CG2 4.14Å
31	T	95.6	Very high	86.5	Confident	27 Å²	27	50.7 Å²	50.7	17%	0.166	31%	0.312	C	S	.	.			trans	-141	-172	-179.9	73.4	0	0	0	0	110.5	N47 R49 G66 D67	T31-N47 WeakPolarHBondContact CB-O 3.5Å; T31-N47 HydrophobicContact CG2-CB 4.01Å; T31-N47 VanDerWaalsContact CG2-O 3.29Å; T31-N47 WeakPolarHBondContact CG2-O 3.49Å; T31-R49 HydrophobicContact CG2-CG 4.32Å; T31-G66 CarbonylContact O-C 3.59Å; T31-G66 VanDerWaalsContact O-CA 3.27Å; T31-G66 WeakPolarHBondContact O-CA 3.33Å; T31-D67 PolarHBondContact N-OD1 3.43Å; T31-D67 PolarHBondContact O-N 3.18Å
32	W	97.1	Very high	87.2	Confident	9 Å²	9	52.6 Å²	52.6	3%	0.034	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	145.9	-179.6	-58.2	113.2	0	0	0	112.5	W30 P34 T43 R49 V51 I64 I80 P183 I185 L196	W30-W32 AromaticContact CH2-CH2 3.89Å; W30-W32 HydrophobicContact CH2-CH2 3.89Å; W30-W32 HydrophobicContact CH2-CZ2 4.25Å; W30-W32 HydrophobicContact CH2-CZ3 4.15Å; W30-W32 HydrophobicContact CZ3-CD2 4.38Å; W30-W32 HydrophobicContact CZ3-CE3 4.07Å; W30-W32 HydrophobicContact CZ3-CH2 4.05Å; W30-W32 HydrophobicContact CZ3-CZ2 4.37Å; W30-W32 AromaticContact CZ3-CZ3 3.9Å; W30-W32 HydrophobicContact CZ3-CZ3 3.9Å; W32-P34 WeakPolarHBondContact O-CD 3.49Å; W32-T43 HydrophobicContact CB-CG2 3.87Å; W32-R49 PolarHBondContact NE1-O 3.37Å; W32-V51 HydrophobicContact CB-CG2 4.36Å; W32-V51 HydrophobicContact CD2-CG2 4.14Å; W32-V51 HydrophobicContact CG-CG2 3.69Å; W32-I64 HydrophobicContact CB-CD1 3.58Å; W32-I64 HydrophobicContact CB-CG1 4.05Å; W32-I64 HydrophobicContact CD2-CG2 4.35Å; W32-I64 HydrophobicContact CE3-CG1 4.44Å; W32-I64 HydrophobicContact CE3-CG2 4.06Å; W32-I64 HydrophobicContact CG-CD1 4.3Å; W32-I80 HydrophobicContact CH2-CD1 3.97Å; W32-I80 HydrophobicContact CZ2-CD1 3.58Å; W32-P183 HydrophobicContact CZ3-CB 4.39Å; W32-I185 HydrophobicContact CE3-CG1 4.46Å; W32-I185 HydrophobicContact CH2-CB 4.4Å; W32-I185 HydrophobicContact CH2-CD1 3.91Å; W32-I185 HydrophobicContact CH2-CG1 3.67Å; W32-I185 HydrophobicContact CH2-CG2 3.96Å; W32-I185 HydrophobicContact CZ2-CD1 3.63Å; W32-I185 HydrophobicContact CZ2-CG1 3.95Å; W32-I185 HydrophobicContact CZ2-CG2 4.44Å; W32-I185 HydrophobicContact CZ3-CD1 4.46Å; W32-I185 HydrophobicContact CZ3-CG1 3.94Å; W32-L196 HydrophobicContact CZ2-CB 4.02Å; W32-L196 HydrophobicContact CZ2-CD1 4.27Å; W32-L196 HydrophobicContact CZ2-CD2 4.46Å; W32-L196 HydrophobicContact CZ2-CG 4.5Å
33	D	95	Very high	88.1	Confident	79 Å²	79	53.4 Å²	53.4	42%	0.422	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	91.4	170.8	-177.9	28.9	0	0	0	110	I64 R65 D67	D33-I64 WeakPolarHBondContact O-CG1 3.38Å; D33-R65 PolarHBondContact N-O 3.47Å; D33-D67 HydrophobicContact CB-CB 4.43Å
34	P	86.7	Confident	89.1	Confident	47 Å²	47	52.1 Å²	52.1	31%	0.305	30%	0.302	S	S	.	.	P	Polyproline II helix	trans	-64.4	129.6	179.6	26.8	-34	0	0	0	110.4	W32 K36 T43 I64	W32-P34 WeakPolarHBondContact O-CD 3.49Å; P34-K36 PolarHBondContact O-N 3.27Å; P34-T43 HydrophobicContact CB-CG2 3.99Å; P34-T43 HydrophobicContact CG-CG2 4.23Å; P34-I64 HydrophobicContact CB-CD1 4.23Å
35	P	82	Confident	89.7	Confident	41 Å²	41	50.1 Å²	50.1	27%	0.266	30%	0.302	S	S	.	.	P	Polyproline II helix	trans	-58.9	134.8	177	-17.5	28.1	0	0	0	110.4	T38 L102	P35-T38 HydrophobicContact CB-CG2 3.82Å; P35-T38 HydrophobicContact CG-CG2 4.18Å; P35-T38 WeakPolarHBondContact O-CG2 3.38Å; P35-L102 HydrophobicContact CG-CD1 4.36Å
36	K	82.3	Confident	89.9	Confident	209 Å²	209	54.1 Å²	54.1	91%	0.909	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.1	138.2	179.6	-65.6	-180	-178.5	177	0	110.4	P34 T38	P34-K36 PolarHBondContact O-N 3.27Å; K36-T38 VanDerWaalsContact C-N 3.34Å; K36-T38 PolarHBondContact O-N 3.45Å
37	G	80.1	Confident	89.9	Confident	93 Å²	93	59 Å²	59	96%	0.959	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.4	7.6	171.6	0	0	0	0	0	116.1
38	T	82.9	Confident	90.1	Very high	46 Å²	46	57.8 Å²	57.8	28%	0.282	35%	0.35	S	S	.	.			trans	-99.9	146.5	171.6	-174	0	0	0	0	111.8	P35 K36 S40 V41	P35-T38 HydrophobicContact CB-CG2 3.82Å; P35-T38 HydrophobicContact CG-CG2 4.18Å; P35-T38 WeakPolarHBondContact O-CG2 3.38Å; K36-T38 VanDerWaalsContact C-N 3.34Å; K36-T38 PolarHBondContact O-N 3.45Å; T38-S40 WeakPolarHBondContact OG1-CB 3.48Å; T38-S40 PolarHBondContact OG1-N 2.9Å; T38-V41 HydrophobicContact CG2-CB 4.41Å
39	T	83.5	Confident	90.3	Very high	105 Å²	105	60.2 Å²	60.2	64%	0.644	36%	0.359	S	S	*	.	S	Bend	trans	-101.4	1	168.7	54.9	0	0	0	0	112.3	H42	T39-H42 WeakPolarHBondContact CA-NE2 3.47Å; T39-H42 PolarHBondContact O-CD2 3.34Å; T39-H42 PolarHBondContact O-NE2 2.98Å; T39-H42 VanDerWaalsContact O-NE2 3.14Å
40	S	91.1	Very high	90.7	Very high	15 Å²	15	58.7 Å²	58.7	11%	0.105	35%	0.347	C	S	.	.	S	Bend	trans	-84.7	-13.7	-179	-56.5	0	0	0	0	112.9	T38 F53 H54	T38-S40 WeakPolarHBondContact OG1-CB 3.48Å; T38-S40 PolarHBondContact OG1-N 2.9Å; S40-F53 CarbonylContact O-C 3.47Å; S40-H54 PolarHBondContact O-N 3.27Å
41	V	94.1	Very high	90.7	Very high	4 Å²	4	58.5 Å²	58.5	2%	0.024	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	124	179.7	-175.2	0	0	0	0	109.7	T38 V51 F53 V62 I64	T38-V41 HydrophobicContact CG2-CB 4.41Å; V41-V51 HydrophobicContact CG1-CG1 3.6Å; V41-F53 HydrophobicContact CG2-CD1 4.08Å; V41-F53 HydrophobicContact CG2-CE1 4.37Å; V41-V62 HydrophobicContact CG2-CB 3.87Å; V41-V62 HydrophobicContact CG2-CG2 3.79Å; V41-I64 HydrophobicContact CG1-CB 4.22Å; V41-I64 HydrophobicContact CG1-CD1 3.76Å
42	H	93.8	Very high	90.7	Very high	79 Å²	79	58.8 Å²	58.8	37%	0.366	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	129.6	177.1	-67	-75.3	0	0	0	110.9	T39 V51 L52 S55	T39-H42 WeakPolarHBondContact CA-NE2 3.47Å; T39-H42 PolarHBondContact O-CD2 3.34Å; T39-H42 PolarHBondContact O-NE2 2.98Å; T39-H42 VanDerWaalsContact O-NE2 3.14Å; H42-V51 WeakPolarHBondContact O-CA 3.45Å; H42-L52 PolarHBondContact N-O 3.41Å; H42-L52 PolarHBondContact O-N 3.23Å; H42-S55 PolarHBondContact CD2-OG 3.06Å; H42-S55 VanDerWaalsContact CD2-OG 3.23Å
43	T	95.3	Very high	90.5	Very high	43 Å²	43	58.4 Å²	58.4	26%	0.264	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	135.4	174.8	52.7	0	0	0	0	110.7	W32 P34 G48 T50 V51 I64	W32-T43 HydrophobicContact CB-CG2 3.87Å; P34-T43 HydrophobicContact CB-CG2 3.99Å; P34-T43 HydrophobicContact CG-CG2 4.23Å; T43-G48 WeakPolarHBondContact CB-O 3.38Å; T43-T50 CarbonylContact C-O 3.59Å; T43-T50 VanDerWaalsContact CA-O 3.26Å; T43-T50 WeakPolarHBondContact CA-O 3.25Å; T43-V51 HydrophobicContact CG2-CG2 4.25Å; T43-I64 HydrophobicContact CG2-CD1 3.73Å
44	Y	94.7	Very high	90.3	Very high	92 Å²	92	54.7 Å²	54.7	36%	0.361	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150	-176.7	178.4	69	-76.1	0	0	0	111.4	G48 R49 T50 L52 E193	Y44-G48 CarbonylContact O-C 3.58Å; Y44-G48 WeakPolarHBondContact O-CA 3.49Å; Y44-R49 PolarHBondContact O-N 2.96Å; Y44-T50 HydrophobicContact CD1-CG2 4.28Å; Y44-T50 WeakPolarHBondContact CD1-O 3.31Å; Y44-T50 HydrophobicContact CE1-CG2 3.46Å; Y44-T50 VanDerWaalsContact CE1-CG2 3.46Å; Y44-T50 HydrophobicContact CE2-CG2 4Å; Y44-T50 PolarHBondContact N-O 2.78Å; Y44-T50 PolarHBondContact O-N 3.07Å; Y44-T50 WeakPolarHBondContact OH-CG2 3.49Å; Y44-L52 HydrophobicContact CD1-CB 4.4Å; Y44-L52 HydrophobicContact CE1-CB 3.87Å; Y44-E193 WeakPolarHBondContact OH-CG 3.26Å; Y44-E193 PolarHBondContact OH-OE1 2.71Å; Y44-E193 PolarHBondContact OH-OE2 3.44Å
45	G	92.5	Very high	90.4	Very high	44 Å²	44	53.7 Å²	53.7	45%	0.454	32%	0.32	S	S	.	.	S	Bend	trans	77.8	-173.4	-175.7	0	0	0	0	0	112.9	N47 G48	G45-N47 PolarHBondContact O-N 2.85Å; G45-G48 PolarHBondContact O-N 3.33Å; G45-G48 VanDerWaalsContact O-N 3.09Å
46	P	89.4	Confident	90.5	Very high	105 Å²	105	57 Å²	57	68%	0.682	34%	0.335	S	S	*	.	G	3₁₀ helix	trans	-54.8	124.2	179.6	-23.9	33.9	0	0	0	110.9	G48 R49	P46-G48 PolarHBondContact O-N 3.45Å; P46-G48 VanDerWaalsContact O-N 3.08Å; P46-R49 WeakPolarHBondContact O-CB 3.24Å; P46-R49 WeakPolarHBondContact O-CG 3.21Å; P46-R49 PolarHBondContact O-N 3.13Å
47	N	88.7	Confident	90.7	Very high	103 Å²	103	55.8 Å²	55.8	55%	0.551	33%	0.325	S	S	*	.	G	3₁₀ helix	trans	54.7	24.1	-179.7	-58	-50.3	0	0	0	114.8	T31 G45 R49	T31-N47 WeakPolarHBondContact CB-O 3.5Å; T31-N47 HydrophobicContact CG2-CB 4.01Å; T31-N47 VanDerWaalsContact CG2-O 3.29Å; T31-N47 WeakPolarHBondContact CG2-O 3.49Å; G45-N47 PolarHBondContact O-N 2.85Å; N47-R49 HydrophobicContact CB-CG 4.29Å; N47-R49 PolarHBondContact O-N 2.67Å
48	G	92.6	Very high	91.1	Very high	18 Å²	18	52.8 Å²	52.8	19%	0.186	29%	0.289	C	S	.	.	G	3₁₀ helix	trans	65	25.8	-179.4	0	0	0	0	0	114.1	T43 Y44 G45 P46 T50	T43-G48 WeakPolarHBondContact CB-O 3.38Å; Y44-G48 CarbonylContact O-C 3.58Å; Y44-G48 WeakPolarHBondContact O-CA 3.49Å; G45-G48 PolarHBondContact O-N 3.33Å; G45-G48 VanDerWaalsContact O-N 3.09Å; P46-G48 PolarHBondContact O-N 3.45Å; P46-G48 VanDerWaalsContact O-N 3.08Å; G48-T50 VanDerWaalsContact C-N 3.35Å; G48-T50 PolarHBondContact O-N 3.22Å
49	R	95.6	Very high	91.4	Very high	53 Å²	53	54.2 Å²	54.2	20%	0.2	30%	0.295	C	S	.	.			trans	-77.2	-14.8	-173.8	-74.6	-174.8	167	-159	-8.4	114.9	D28 T31 W32 Y44 P46 N47 L196 N197 T199	D28-R49 PolarHBondContact O-NH2 3.2Å; T31-R49 HydrophobicContact CG2-CG 4.32Å; W32-R49 PolarHBondContact NE1-O 3.37Å; Y44-R49 PolarHBondContact O-N 2.96Å; P46-R49 WeakPolarHBondContact O-CB 3.24Å; P46-R49 WeakPolarHBondContact O-CG 3.21Å; P46-R49 PolarHBondContact O-N 3.13Å; N47-R49 HydrophobicContact CB-CG 4.29Å; N47-R49 PolarHBondContact O-N 2.67Å; R49-L196 HydrophobicContact CB-CB 4.17Å; R49-L196 HydrophobicContact CG-CB 4.43Å; R49-L196 HydrophobicContact CG-CD2 4.41Å; R49-L196 PolarHBondContact O-N 2.88Å; R49-N197 PolarHBondContact NH1-O 2.8Å; R49-T199 PolarHBondContact NH1-OG1 2.88Å; R49-T199 PolarHBondContact NH2-OG1 3.26Å
50	T	96.3	Very high	91.9	Very high	16 Å²	16	49.2 Å²	49.2	10%	0.098	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	129.6	174.9	-55	0	0	0	0	110.3	T43 Y44 G48 T195	T43-T50 CarbonylContact C-O 3.59Å; T43-T50 VanDerWaalsContact CA-O 3.26Å; T43-T50 WeakPolarHBondContact CA-O 3.25Å; Y44-T50 HydrophobicContact CD1-CG2 4.28Å; Y44-T50 WeakPolarHBondContact CD1-O 3.31Å; Y44-T50 HydrophobicContact CE1-CG2 3.46Å; Y44-T50 VanDerWaalsContact CE1-CG2 3.46Å; Y44-T50 HydrophobicContact CE2-CG2 4Å; Y44-T50 PolarHBondContact N-O 2.78Å; Y44-T50 PolarHBondContact O-N 3.07Å; Y44-T50 WeakPolarHBondContact OH-CG2 3.49Å; G48-T50 VanDerWaalsContact C-N 3.35Å; G48-T50 PolarHBondContact O-N 3.22Å; T50-T195 VanDerWaalsContact CG2-OG1 3.25Å; T50-T195 WeakPolarHBondContact CG2-OG1 3.49Å; T50-T195 WeakPolarHBondContact OG1-CG2 3.42Å; T50-T195 PolarHBondContact OG1-OG1 2.97Å
51	V	96.2	Very high	92.1	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	124.3	179.1	-173.7	0	0	0	0	109.1	W32 V41 H42 T43 F53 I64 I185 E193 M194	W32-V51 HydrophobicContact CB-CG2 4.36Å; W32-V51 HydrophobicContact CD2-CG2 4.14Å; W32-V51 HydrophobicContact CG-CG2 3.69Å; V41-V51 HydrophobicContact CG1-CG1 3.6Å; H42-V51 WeakPolarHBondContact O-CA 3.45Å; T43-V51 HydrophobicContact CG2-CG2 4.25Å; V51-F53 HydrophobicContact CB-CE2 4.1Å; V51-F53 HydrophobicContact CB-CZ 4.36Å; V51-F53 HydrophobicContact CG1-CD1 4.29Å; V51-F53 HydrophobicContact CG1-CD2 4.08Å; V51-F53 HydrophobicContact CG1-CE1 3.97Å; V51-F53 HydrophobicContact CG1-CE2 3.71Å; V51-F53 HydrophobicContact CG1-CG 4.37Å; V51-F53 HydrophobicContact CG1-CZ 3.67Å; V51-I64 HydrophobicContact CG1-CD1 4.49Å; V51-I64 HydrophobicContact CG1-CG2 4.12Å; V51-I64 HydrophobicContact CG2-CD1 4.38Å; V51-I64 HydrophobicContact CG2-CG2 4.18Å; V51-I185 HydrophobicContact CB-CD1 4.32Å; V51-I185 HydrophobicContact CG2-CD1 4.05Å; V51-E193 WeakPolarHBondContact O-CA 3.37Å; V51-M194 PolarHBondContact N-O 3.34Å; V51-M194 PolarHBondContact O-N 3.23Å
52	L	94.4	Very high	92.2	Very high	34 Å²	34	48.5 Å²	48.5	18%	0.178	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	115.8	167	179.9	65.4	0	0	0	109	H42 Y44 S55 E193	H42-L52 PolarHBondContact N-O 3.41Å; H42-L52 PolarHBondContact O-N 3.23Å; Y44-L52 HydrophobicContact CD1-CB 4.4Å; Y44-L52 HydrophobicContact CE1-CB 3.87Å; L52-S55 WeakPolarHBondContact CD2-OG 3.35Å; L52-E193 HydrophobicContact CD1-CG 3.73Å
53	F	93.9	Very high	92.3	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	138	173.3	-63.8	-82.4	0	0	0	110.7	S40 V41 V51 V62 I64 I185 R191 T192 M194	S40-F53 CarbonylContact O-C 3.47Å; V41-F53 HydrophobicContact CG2-CD1 4.08Å; V41-F53 HydrophobicContact CG2-CE1 4.37Å; V51-F53 HydrophobicContact CB-CE2 4.1Å; V51-F53 HydrophobicContact CB-CZ 4.36Å; V51-F53 HydrophobicContact CG1-CD1 4.29Å; V51-F53 HydrophobicContact CG1-CD2 4.08Å; V51-F53 HydrophobicContact CG1-CE1 3.97Å; V51-F53 HydrophobicContact CG1-CE2 3.71Å; V51-F53 HydrophobicContact CG1-CG 4.37Å; V51-F53 HydrophobicContact CG1-CZ 3.67Å; F53-V62 HydrophobicContact CD1-CG2 3.67Å; F53-V62 HydrophobicContact CE1-CG2 4.4Å; F53-I64 HydrophobicContact CE1-CG2 4.27Å; F53-I64 HydrophobicContact CZ-CG2 4.07Å; F53-I185 HydrophobicContact CE2-CD1 4.07Å; F53-I185 HydrophobicContact CZ-CD1 3.88Å; F53-I185 HydrophobicContact CZ-CG1 3.96Å; F53-R191 WeakPolarHBondContact O-CA 3.36Å; F53-R191 PolarHBondContact O-N 2.84Å; F53-T192 HydrophobicContact CD2-CG2 4.4Å; F53-T192 PolarHBondContact N-O 3.14Å; F53-T192 PolarHBondContact O-N 2.88Å; F53-M194 HydrophobicContact CE2-CB 4.21Å; F53-M194 HydrophobicContact CE2-CE 4.31Å; F53-M194 HydrophobicContact CE2-CG 4Å; F53-M194 HydrophobicContact CE2-SD 3.81Å; F53-M194 HydrophobicContact CZ-SD 4.49Å
54	H	90.9	Very high	92.5	Very high	1 Å²	1	42.7 Å²	42.7	1%	0.005	23%	0.23	C	C	.	.			trans	49.2	70.1	170.9	-67.9	-57.8	0	0	0	112.5	S40 N56 S58 N59 G60 A190 R191	S40-H54 PolarHBondContact O-N 3.27Å; H54-N56 VanDerWaalsContact C-N 3.28Å; H54-N56 PolarHBondContact O-N 3.25Å; H54-S58 PolarHBondContact CD2-OG 3.16Å; H54-S58 VanDerWaalsContact CD2-OG 3.31Å; H54-S58 PolarHBondContact NE2-OG 2.97Å; H54-N59 PolarHBondContact CE1-OD1 2.9Å; H54-G60 PolarHBondContact NE2-O 3.3Å; H54-A190 HydrophobicContact CB-CB 4.32Å; H54-R191 PolarHBondContact O-N 2.86Å
55	S	87.1	Confident	92.6	Very high	26 Å²	26	40.4 Å²	40.4	18%	0.182	22%	0.221	C	C	.	.	S	Bend	trans	-57.4	-36.4	-171.5	-61.4	0	0	0	0	114.4	H42 L52 R191	H42-S55 PolarHBondContact CD2-OG 3.06Å; H42-S55 VanDerWaalsContact CD2-OG 3.23Å; L52-S55 WeakPolarHBondContact CD2-OG 3.35Å; S55-R191 WeakPolarHBondContact O-CG 3.49Å; S55-R191 PolarHBondContact O-NE 3.47Å
56	N	85.3	Confident	92.9	Very high	110 Å²	110	38.4 Å²	38.4	59%	0.588	20%	0.199	S	C	*	.	S	Bend	trans	-103.2	-67.1	-175.4	-63.9	-30.5	0	0	0	111.9	H54	H54-N56 VanDerWaalsContact C-N 3.28Å; H54-N56 PolarHBondContact O-N 3.25Å
57	W	86	Confident	93.2	Very high	185 Å²	185	37.2 Å²	37.2	70%	0.701	19%	0.188	S	C	*	.			trans	-139.2	160.1	175.3	63.1	88.2	0	0	0	109
58	S	88.2	Confident	93.5	Very high	30 Å²	30	36.2 Å²	36.2	21%	0.21	18%	0.176	C	C	.	.			trans	-92.7	133.9	175	-175.6	0	0	0	0	110.7	H54 G60 F107 T188	H54-S58 PolarHBondContact CD2-OG 3.16Å; H54-S58 VanDerWaalsContact CD2-OG 3.31Å; H54-S58 PolarHBondContact NE2-OG 2.97Å; S58-G60 PolarHBondContact OG-O 3.48Å; S58-F107 WeakPolarHBondContact OG-CE1 3.4Å; S58-T188 VanDerWaalsContact CB-O 3.24Å; S58-T188 WeakPolarHBondContact CB-O 3.44Å; S58-T188 PolarHBondContact OG-O 3.32Å
59	N	90.7	Very high	93.7	Very high	75 Å²	75	37.7 Å²	37.7	40%	0.401	18%	0.183	S	C	.	.			trans	-125.2	23.1	177.9	68.6	-21.8	0	0	0	112.5	H54	H54-N59 PolarHBondContact CE1-OD1 2.9Å
60	G	93.7	Very high	93.8	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	18%	0.175	C	C	.	.	S	Bend	trans	146.4	-153.4	179.3	0	0	0	0	0	112.3	H54 S58 E104 T105	H54-G60 PolarHBondContact NE2-O 3.3Å; S58-G60 PolarHBondContact OG-O 3.48Å; G60-E104 CarbonylContact C-O 3.57Å; G60-E104 VanDerWaalsContact CA-O 3.29Å; G60-E104 WeakPolarHBondContact CA-O 3.4Å; G60-T105 VanDerWaalsContact CA-O 3.25Å; G60-T105 WeakPolarHBondContact CA-O 3.24Å
61	T	95.4	Very high	93.7	Very high	0 Å²	0	37 Å²	37	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	136.4	175.9	-41.8	0	0	0	0	109.8	H103 E104 R106 V108 L110 T188	T61-H103 WeakPolarHBondContact O-CA 3.3Å; T61-H103 PolarHBondContact O-ND1 2.94Å; T61-E104 PolarHBondContact N-O 2.96Å; T61-E104 PolarHBondContact O-N 2.86Å; T61-R106 PolarHBondContact N-O 2.89Å; T61-R106 PolarHBondContact OG1-O 2.79Å; T61-V108 WeakPolarHBondContact CG2-O 3.45Å; T61-V108 PolarHBondContact OG1-N 2.62Å; T61-V108 PolarHBondContact OG1-O 2.98Å; T61-L110 HydrophobicContact CG2-CB 3.53Å; T61-L110 HydrophobicContact CG2-CD2 3.92Å; T61-L110 HydrophobicContact CG2-CG 4.35Å; T61-T188 HydrophobicContact CG2-CG2 3.8Å; T61-T188 VanDerWaalsContact OG1-CG2 3.22Å; T61-T188 WeakPolarHBondContact OG1-CG2 3.38Å
62	V	95.5	Very high	93.6	Very high	5 Å²	5	41.4 Å²	41.4	3%	0.03	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	146	173.2	-72.3	0	0	0	0	110.4	V41 F53 L102 H103 S186 S187	V41-V62 HydrophobicContact CG2-CB 3.87Å; V41-V62 HydrophobicContact CG2-CG2 3.79Å; F53-V62 HydrophobicContact CD1-CG2 3.67Å; F53-V62 HydrophobicContact CE1-CG2 4.4Å; V62-L102 CarbonylContact C-O 3.6Å; V62-L102 WeakPolarHBondContact CA-O 3.47Å; V62-H103 WeakPolarHBondContact CG1-ND1 3.49Å; V62-S186 CarbonylContact O-C 3.47Å; V62-S186 WeakPolarHBondContact O-CA 3.38Å; V62-S186 VanDerWaalsContact O-CB 3.27Å; V62-S186 WeakPolarHBondContact O-CB 3.29Å; V62-S187 PolarHBondContact N-O 3.26Å; V62-S187 PolarHBondContact O-N 3.42Å
63	A	96.9	Very high	93.4	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	161.6	174	0	0	0	0	0	111	L102 L110 M184 I185	A63-L102 HydrophobicContact CB-CD2 4.13Å; A63-L102 PolarHBondContact N-O 2.99Å; A63-L110 HydrophobicContact CB-CD2 3.78Å; A63-M184 HydrophobicContact CB-CE 4.08Å; A63-I185 WeakPolarHBondContact CA-O 3.41Å; A63-I185 WeakPolarHBondContact CB-O 3.44Å
64	I	97.8	Very high	93.3	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	147.6	173.1	-173.6	164.1	0	0	0	109.1	W32 D33 P34 V41 T43 V51 F53 M184 I185	W32-I64 HydrophobicContact CB-CD1 3.58Å; W32-I64 HydrophobicContact CB-CG1 4.05Å; W32-I64 HydrophobicContact CD2-CG2 4.35Å; W32-I64 HydrophobicContact CE3-CG1 4.44Å; W32-I64 HydrophobicContact CE3-CG2 4.06Å; W32-I64 HydrophobicContact CG-CD1 4.3Å; D33-I64 WeakPolarHBondContact O-CG1 3.38Å; P34-I64 HydrophobicContact CB-CD1 4.23Å; V41-I64 HydrophobicContact CG1-CB 4.22Å; V41-I64 HydrophobicContact CG1-CD1 3.76Å; T43-I64 HydrophobicContact CG2-CD1 3.73Å; V51-I64 HydrophobicContact CG1-CD1 4.49Å; V51-I64 HydrophobicContact CG1-CG2 4.12Å; V51-I64 HydrophobicContact CG2-CD1 4.38Å; V51-I64 HydrophobicContact CG2-CG2 4.18Å; F53-I64 HydrophobicContact CE1-CG2 4.27Å; F53-I64 HydrophobicContact CZ-CG2 4.07Å; I64-M184 WeakPolarHBondContact O-CA 3.32Å; I64-I185 HydrophobicContact CG2-CD1 4.03Å; I64-I185 HydrophobicContact CG2-CG1 3.54Å; I64-I185 PolarHBondContact N-O 3.18Å; I64-I185 PolarHBondContact O-N 3.03Å
65	R	97.8	Very high	93.5	Very high	44 Å²	44	50.2 Å²	50.2	17%	0.166	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	157.1	177.9	-79.1	-179.6	-57.9	-147.1	7.1	111.2	D33 T97 S98 L102 P183 M184	D33-R65 PolarHBondContact N-O 3.47Å; R65-T97 PolarHBondContact NH1-O 3.4Å; R65-S98 PolarHBondContact NH1-O 3.14Å; R65-L102 HydrophobicContact CG-CD2 3.93Å; R65-P183 CarbonylContact C-O 3.58Å; R65-P183 VanDerWaalsContact CA-O 3.27Å; R65-P183 WeakPolarHBondContact CA-O 3.1Å; R65-M184 HydrophobicContact CG-CE 4.29Å; R65-M184 HydrophobicContact CG-CG 3.62Å; R65-M184 HydrophobicContact CG-SD 4.04Å
66	G	97.8	Very high	93.9	Very high	1 Å²	1	49 Å²	49	1%	0.01	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.2	154.8	162	0	0	0	0	0	111.7	T31 R68 Y182 P183	T31-G66 CarbonylContact O-C 3.59Å; T31-G66 VanDerWaalsContact O-CA 3.27Å; T31-G66 WeakPolarHBondContact O-CA 3.33Å; G66-R68 PolarHBondContact O-N 3.38Å; G66-Y182 WeakPolarHBondContact O-CD1 3.09Å; G66-P183 PolarHBondContact N-O 3.4Å
67	D	96	Very high	94.5	Very high	81 Å²	81	43.9 Å²	43.9	43%	0.433	21%	0.211	S	C	.	.	S	Bend	trans	-71.7	-9.5	-178.5	70.8	-27.8	0	0	0	114.7	W30 T31 D33	W30-D67 WeakPolarHBondContact CA-OD1 3.13Å; W30-D67 VanDerWaalsContact CB-OD1 3.3Å; W30-D67 WeakPolarHBondContact CB-OD1 3.38Å; T31-D67 PolarHBondContact N-OD1 3.43Å; T31-D67 PolarHBondContact O-N 3.18Å; D33-D67 HydrophobicContact CB-CB 4.43Å
68	R	95.6	Very high	95	Very high	81 Å²	81	35.1 Å²	35.1	31%	0.306	18%	0.178	S	C	.	.	S	Bend	trans	-151.2	157.3	178	70.9	-178.2	-157.2	-172.6	2.9	111.6	D28 W30 G66 Y182	D28-R68 IonicContact OD1-CZ 2.63Å; D28-R68 IonicContact OD1-NH1 2.65Å; D28-R68 IonicContact OD1-NH2 3.7Å; D28-R68 PolarHBondContact OD1-NH2 3.16Å; D28-R68 IonicContact OD2-NH2 2.7Å; D28-R68 PolarHBondContact OD2-NH2 2.82Å; W30-R68 HydrophobicContact CB-CG 3.9Å; G66-R68 PolarHBondContact O-N 3.38Å; R68-Y182 VanDerWaalsContact C-CD1 3.42Å; R68-Y182 VanDerWaalsContact C-CE1 3.43Å; R68-Y182 WeakPolarHBondContact O-CD1 2.98Å
69	P	97.3	Very high	95.5	Very high	50 Å²	50	34.8 Å²	34.8	33%	0.325	17%	0.173	S	C	.	.	P	Polyproline II helix	trans	-72.3	151.4	176.8	29.7	-34.6	0	0	0	112	P71 P180 L181 Y182	P69-P71 WeakPolarHBondContact O-CD 3.47Å; P69-P180 HydrophobicContact CB-CB 3.51Å; P69-P180 HydrophobicContact CG-CB 4.11Å; P69-L181 CarbonylContact C-O 3.57Å; P69-L181 VanDerWaalsContact CA-O 3.24Å; P69-L181 WeakPolarHBondContact CA-O 3.11Å; P69-Y182 HydrophobicContact CB-CD1 4.44Å; P69-Y182 HydrophobicContact CB-CE1 4.05Å; P69-Y182 HydrophobicContact CB-CE2 4.19Å; P69-Y182 HydrophobicContact CG-CE1 4.38Å; P69-Y182 VanDerWaalsContact N-CE1 3.32Å
70	L	96.8	Very high	95.8	Very high	10 Å²	10	31.2 Å²	31.2	5%	0.052	15%	0.154	C	C	.	.	B	Isolated β-bridge	trans	-69.6	123.8	167.7	-66	168.6	0	0	0	109.1	Y76 W78 I95 Y151 L181 P183	L70-Y76 HydrophobicContact CD2-CG 4.2Å; L70-W78 HydrophobicContact CD1-CH2 3.83Å; L70-W78 HydrophobicContact CD1-CZ3 4.09Å; L70-W78 HydrophobicContact CD2-CZ3 4.14Å; L70-I95 HydrophobicContact CD1-CG2 3.83Å; L70-Y151 HydrophobicContact CB-CD1 3.69Å; L70-Y151 HydrophobicContact CB-CE1 3.71Å; L70-Y151 HydrophobicContact CD1-CD1 3.82Å; L70-Y151 HydrophobicContact CD1-CE1 4.42Å; L70-Y151 HydrophobicContact CD1-CG 3.93Å; L70-Y151 HydrophobicContact CG-CD1 4.22Å; L70-L181 PolarHBondContact N-O 3.01Å; L70-P183 HydrophobicContact CD1-CG 4.18Å; L70-P183 HydrophobicContact CD2-CG 3.94Å; L70-P183 HydrophobicContact CG-CG 4.01Å
71	P	94.7	Very high	96	Very high	43 Å²	43	32.5 Å²	32.5	28%	0.279	16%	0.161	S	C	.	.	P	Polyproline II helix	trans	-62.5	144.2	178.9	-23.5	33.3	0	0	0	112.7	P69 H73 Y76 Y151	P69-P71 WeakPolarHBondContact O-CD 3.47Å; P71-H73 PolarHBondContact O-N 2.97Å; P71-H73 VanDerWaalsContact O-N 3.13Å; P71-Y76 HydrophobicContact CB-CE2 4.02Å; P71-Y76 VanDerWaalsContact CB-OH 3.26Å; P71-Y76 WeakPolarHBondContact CB-OH 3.46Å; P71-Y76 VanDerWaalsContact CD-CZ 3.44Å; P71-Y76 HydrophobicContact CG-CE1 3.87Å; P71-Y76 HydrophobicContact CG-CE2 4.12Å; P71-Y76 VanDerWaalsContact CG-CZ 3.48Å; P71-Y76 VanDerWaalsContact CG-OH 3.26Å; P71-Y76 WeakPolarHBondContact CG-OH 3.47Å; P71-Y151 WeakPolarHBondContact O-CE1 3.17Å
72	K	93.7	Very high	95.9	Very high	93 Å²	93	32.6 Å²	32.6	40%	0.404	16%	0.162	S	C	.	.	S	Bend	trans	-66.8	-10.1	177.5	-65.6	-163.3	178.8	-164.8	0	114	G153 S154 V177 D178	K72-G153 CarbonylContact O-C 3.58Å; K72-G153 WeakPolarHBondContact O-CA 3.34Å; K72-G153 VanDerWaalsContact O-O 3.08Å; K72-S154 PolarHBondContact O-N 2.91Å; K72-V177 PolarHBondContact NZ-O 2.78Å; K72-D178 PolarHBondContact NZ-O 3.3Å
73	H	90.3	Very high	95.5	Very high	144 Å²	144	34.2 Å²	34.2	67%	0.667	17%	0.173	S	C	*	.	S	Bend	trans	-120.2	142.8	178.9	-57.3	-52.4	0	0	0	111.6	P71 Y76	P71-H73 PolarHBondContact O-N 2.97Å; P71-H73 VanDerWaalsContact O-N 3.13Å; H73-Y76 VanDerWaalsContact O-CE2 3.25Å; H73-Y76 WeakPolarHBondContact O-CE2 3.27Å; H73-Y76 PolarHBondContact O-OH 3.41Å
74	G	91.3	Very high	94.7	Very high	15 Å²	15	40.2 Å²	40.2	16%	0.155	20%	0.201	C	C	.	.	S	Bend	trans	85.9	-169.8	-179	0	0	0	0	0	112.6	G153 S154	G74-G153 PolarHBondContact O-N 2.8Å; G74-S154 PolarHBondContact N-OG 3.28Å
75	Q	94.9	Very high	93.8	Very high	62 Å²	62	44.9 Å²	44.9	29%	0.29	22%	0.219	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	140.1	-177	-49.7	179.8	49.8	0	0	110.1	F22 L150 Y151 N152 R201 T202	F22-Q75 HydrophobicContact CE1-CB 3.64Å; F22-Q75 HydrophobicContact CE1-CG 4.42Å; F22-Q75 HydrophobicContact CZ-CB 3.53Å; Q75-L150 HydrophobicContact CB-CD1 4.21Å; Q75-Y151 CarbonylContact C-O 3.5Å; Q75-Y151 VanDerWaalsContact CA-O 3.31Å; Q75-Y151 WeakPolarHBondContact CA-O 3.21Å; Q75-N152 HydrophobicContact CG-CB 4.17Å; Q75-R201 CarbonylContact O-C 3.57Å; Q75-R201 VanDerWaalsContact O-CA 3.29Å; Q75-R201 WeakPolarHBondContact O-CA 3.39Å; Q75-T202 HydrophobicContact CB-CG2 3.79Å; Q75-T202 HydrophobicContact CG-CG2 4.21Å; Q75-T202 PolarHBondContact N-OG1 3.33Å; Q75-T202 PolarHBondContact O-N 2.63Å
76	Y	96.4	Very high	92.9	Very high	1 Å²	1	42.9 Å²	42.9	0%	0.004	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	123.5	-174.2	-57.4	-91.5	0	0	0	108.3	L70 P71 H73 L150 Y151 K200 R201 W204	L70-Y76 HydrophobicContact CD2-CG 4.2Å; P71-Y76 HydrophobicContact CB-CE2 4.02Å; P71-Y76 VanDerWaalsContact CB-OH 3.26Å; P71-Y76 WeakPolarHBondContact CB-OH 3.46Å; P71-Y76 VanDerWaalsContact CD-CZ 3.44Å; P71-Y76 HydrophobicContact CG-CE1 3.87Å; P71-Y76 HydrophobicContact CG-CE2 4.12Å; P71-Y76 VanDerWaalsContact CG-CZ 3.48Å; P71-Y76 VanDerWaalsContact CG-OH 3.26Å; P71-Y76 WeakPolarHBondContact CG-OH 3.47Å; H73-Y76 VanDerWaalsContact O-CE2 3.25Å; H73-Y76 WeakPolarHBondContact O-CE2 3.27Å; H73-Y76 PolarHBondContact O-OH 3.41Å; Y76-L150 WeakPolarHBondContact O-CA 3.44Å; Y76-Y151 HydrophobicContact CD2-CD1 4.03Å; Y76-Y151 PolarHBondContact N-O 2.81Å; Y76-Y151 PolarHBondContact O-N 2.65Å; Y76-K200 CarbonylContact C-O 3.51Å; Y76-K200 WeakPolarHBondContact CA-O 3.4Å; Y76-R201 HydrophobicContact CD1-CB 3.56Å; Y76-R201 HydrophobicContact CE1-CB 3.57Å; Y76-R201 HydrophobicContact CE1-CG 4.49Å; Y76-R201 HydrophobicContact CG-CB 4.5Å; Y76-W204 PolarHBondContact OH-NE1 3.43Å
77	Y	97.3	Very high	92.3	Very high	2 Å²	2	45.2 Å²	45.2	1%	0.008	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	137.2	179	176.6	-103.5	0	0	0	109.8	P21 F22 E79 L149 L150 Y161 T199 K200	P21-Y77 HydrophobicContact CG-CD1 4.25Å; P21-Y77 HydrophobicContact CG-CD2 3.61Å; P21-Y77 HydrophobicContact CG-CE2 4.11Å; P21-Y77 HydrophobicContact CG-CG 3.67Å; F22-Y77 VanDerWaalsContact CE2-CB 3.45Å; Y77-E79 HydrophobicContact CE1-CG 3.54Å; Y77-E79 WeakPolarHBondContact CE1-OE1 3.36Å; Y77-E79 VanDerWaalsContact OH-CG 3.3Å; Y77-E79 WeakPolarHBondContact OH-CG 3.44Å; Y77-E79 PolarHBondContact OH-OE1 3.19Å; Y77-L149 CarbonylContact C-O 3.49Å; Y77-L149 VanDerWaalsContact CA-O 3.23Å; Y77-L149 WeakPolarHBondContact CA-O 3.1Å; Y77-L149 VanDerWaalsContact CD2-O 3.24Å; Y77-L149 WeakPolarHBondContact CD2-O 3.44Å; Y77-L150 HydrophobicContact CD2-CB 4.16Å; Y77-Y161 AromaticContact CE2-CD2 3.81Å; Y77-Y161 HydrophobicContact CE2-CD2 3.81Å; Y77-Y161 HydrophobicContact CE2-CE2 4.17Å; Y77-Y161 HydrophobicContact CE2-CG 4.36Å; Y77-T199 CarbonylContact O-C 3.52Å; Y77-T199 WeakPolarHBondContact O-CA 2.98Å; Y77-K200 PolarHBondContact N-O 3.32Å; Y77-K200 PolarHBondContact O-N 2.7Å
78	W	97.8	Very high	91.8	Very high	1 Å²	1	43 Å²	43	0%	0.004	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.8	155.7	171.3	66.7	98.8	0	0	0	112.5	W30 L70 I95 G148 L149 L158 P183 L196 E198 T199	W30-W78 HydrophobicContact CH2-CG 4.29Å; W30-W78 HydrophobicContact CZ2-CB 3.85Å; W30-W78 AromaticContact CZ2-CD1 3.89Å; W30-W78 AromaticContact CZ2-CD2 3.98Å; W30-W78 HydrophobicContact CZ2-CD2 3.98Å; W30-W78 AromaticContact CZ2-CG 3.63Å; W30-W78 HydrophobicContact CZ2-CG 3.63Å; L70-W78 HydrophobicContact CD1-CH2 3.83Å; L70-W78 HydrophobicContact CD1-CZ3 4.09Å; L70-W78 HydrophobicContact CD2-CZ3 4.14Å; W78-I95 HydrophobicContact CH2-CG2 3.8Å; W78-I95 HydrophobicContact CZ2-CG2 4.02Å; W78-G148 CarbonylContact O-C 3.5Å; W78-G148 WeakPolarHBondContact O-CA 3.43Å; W78-L149 HydrophobicContact CD2-CB 3.93Å; W78-L149 HydrophobicContact CE3-CB 4.26Å; W78-L149 HydrophobicContact CH2-CB 3.84Å; W78-L149 HydrophobicContact CH2-CD2 4.45Å; W78-L149 HydrophobicContact CZ2-CB 3.5Å; W78-L149 VanDerWaalsContact CZ2-CB 3.5Å; W78-L149 HydrophobicContact CZ2-CD2 3.66Å; W78-L149 HydrophobicContact CZ2-CG 4.07Å; W78-L149 HydrophobicContact CZ3-CB 4.21Å; W78-L149 PolarHBondContact N-O 3.04Å; W78-L149 PolarHBondContact O-N 3.33Å; W78-L158 HydrophobicContact CH2-CD1 4.24Å; W78-P183 HydrophobicContact CZ2-CB 3.9Å; W78-P183 HydrophobicContact CZ2-CG 4.37Å; W78-L196 HydrophobicContact CB-CD1 3.97Å; W78-L196 HydrophobicContact CG-CD1 4.28Å; W78-E198 CarbonylContact C-O 3.52Å; W78-E198 WeakPolarHBondContact CA-O 3.39Å; W78-T199 HydrophobicContact CB-CG2 3.92Å
79	E	97.5	Very high	91.6	Very high	22 Å²	22	42.4 Å²	42.4	10%	0.103	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	134.2	-179.4	-68.9	-178.1	165.9	0	0	111.7	Y77 T146 I147 N197 E198	Y77-E79 HydrophobicContact CE1-CG 3.54Å; Y77-E79 WeakPolarHBondContact CE1-OE1 3.36Å; Y77-E79 VanDerWaalsContact OH-CG 3.3Å; Y77-E79 WeakPolarHBondContact OH-CG 3.44Å; Y77-E79 PolarHBondContact OH-OE1 3.19Å; E79-T146 HydrophobicContact CB-CG2 3.96Å; E79-T146 HydrophobicContact CG-CG2 4.15Å; E79-I147 WeakPolarHBondContact CA-O 3.47Å; E79-N197 HydrophobicContact CB-CB 4.38Å; E79-N197 PolarHBondContact O-N 2.64Å; E79-E198 HydrophobicContact CB-CB 4.34Å; E79-E198 HydrophobicContact CG-CB 4.15Å; E79-E198 PolarHBondContact N-O 3.32Å
80	I	97.9	Very high	91.5	Very high	0 Å²	0	40 Å²	40	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	112.5	172.4	-51.4	-57.5	0	0	0	108.1	W32 F93 T146 I147 L149 I185 M194 T195 L196	W32-I80 HydrophobicContact CH2-CD1 3.97Å; W32-I80 HydrophobicContact CZ2-CD1 3.58Å; I80-F93 HydrophobicContact CB-CD1 3.98Å; I80-F93 HydrophobicContact CB-CE1 4.22Å; I80-F93 HydrophobicContact CG1-CD1 4.2Å; I80-F93 HydrophobicContact CG2-CD1 3.93Å; I80-F93 HydrophobicContact CG2-CE1 3.8Å; I80-T146 WeakPolarHBondContact O-CA 3.42Å; I80-I147 PolarHBondContact N-O 3.15Å; I80-I147 PolarHBondContact O-N 2.75Å; I80-L149 HydrophobicContact CG1-CD1 4.23Å; I80-I185 HydrophobicContact CD1-CG2 4.15Å; I80-I185 HydrophobicContact CG1-CG2 3.95Å; I80-I185 HydrophobicContact CG2-CG2 4.28Å; I80-M194 HydrophobicContact CG2-CB 3.9Å; I80-M194 HydrophobicContact CG2-CG 4.37Å; I80-M194 HydrophobicContact CG2-SD 4.28Å; I80-T195 WeakPolarHBondContact CA-O 3.5Å; I80-L196 HydrophobicContact CD1-CD1 3.85Å
81	D	96.7	Very high	91.5	Very high	27 Å²	27	39.5 Å²	39.5	14%	0.144	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	121.8	167.9	-75.8	-6.9	0	0	0	108.8	K10 T146 M194 T195 N197	K10-D81 IonicContact NZ-OD2 2.71Å; K10-D81 PolarHBondContact NZ-OD2 3.13Å; D81-T146 WeakPolarHBondContact OD1-CB 3.18Å; D81-T146 VanDerWaalsContact OD1-CG2 3.29Å; D81-T146 WeakPolarHBondContact OD1-CG2 3.11Å; D81-T146 PolarHBondContact OD1-OG1 3.03Å; D81-M194 WeakPolarHBondContact O-CA 3.44Å; D81-T195 PolarHBondContact N-O 2.91Å; D81-T195 PolarHBondContact O-N 3.06Å; D81-N197 WeakPolarHBondContact CB-ND2 3.5Å; D81-N197 PolarHBondContact OD1-ND2 2.81Å; D81-N197 PolarHBondContact OD2-ND2 3.13Å
82	V	94.8	Very high	91.7	Very high	3 Å²	3	37.5 Å²	37.5	2%	0.018	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	125.9	165.3	-165.9	0	0	0	0	107.4	V86 F93 P144 T145 M194	V82-V86 HydrophobicContact CB-CG2 3.83Å; V82-V86 HydrophobicContact CG1-CG2 3.55Å; V82-F93 HydrophobicContact CG2-CE1 3.57Å; V82-F93 HydrophobicContact CG2-CZ 3.52Å; V82-P144 WeakPolarHBondContact O-CA 3.26Å; V82-T145 PolarHBondContact N-O 2.86Å; V82-T145 PolarHBondContact O-N 3.07Å; V82-T145 VanDerWaalsContact O-N 3.12Å; V82-M194 HydrophobicContact CG2-CG 4.44Å
83	S	86.3	Confident	92	Very high	39 Å²	39	33.1 Å²	33.1	27%	0.273	17%	0.173	S	C	.	.			trans	-61.3	-170.8	173.9	62.6	0	0	0	0	111.9	R85 E193	S83-R85 PolarHBondContact O-N 3.13Å; S83-E193 PolarHBondContact OG-O 2.89Å
84	H	80.7	Confident	92.4	Very high	125 Å²	125	26.2 Å²	26.2	58%	0.579	14%	0.141	S	C	*	.	S	Bend	trans	-60.9	9.1	175.1	-57	-85.8	0	0	0	115	Y142 P144	H84-Y142 WeakPolarHBondContact O-CA 3.26Å; H84-P144 WeakPolarHBondContact CE1-CG 3.25Å; H84-P144 VanDerWaalsContact ND1-CD 3.32Å; H84-P144 WeakPolarHBondContact ND1-CD 3.44Å; H84-P144 WeakPolarHBondContact ND1-CG 3.46Å
85	R	78.3	Confident	92.7	Very high	99 Å²	99	25.5 Å²	25.5	37%	0.374	13%	0.133	S	C	.	.			trans	-102.2	34.1	-179.5	-64.9	-164.6	170.6	-89.6	-5.2	113.5	S83 F87 R191	S83-R85 PolarHBondContact O-N 3.13Å; R85-F87 VanDerWaalsContact C-N 3.29Å; R85-F87 HydrophobicContact CB-CD1 4.11Å; R85-F87 HydrophobicContact CB-CE1 3.65Å; R85-F87 HydrophobicContact CG-CE1 3.84Å; R85-F87 PolarHBondContact O-N 3.38Å; R85-R191 WeakPolarHBondContact CD-O 3.49Å; R85-R191 PolarHBondContact NE-O 2.83Å
86	V	79.8	Confident	92.9	Very high	1 Å²	1	22.6 Å²	22.6	1%	0.006	12%	0.12	C	C	.	.			trans	-73.6	87.2	166.4	-175	0	0	0	0	108.1	V82 L91 H122 F139 E141 Y142 T143	V82-V86 HydrophobicContact CB-CG2 3.83Å; V82-V86 HydrophobicContact CG1-CG2 3.55Å; V86-L91 HydrophobicContact CG1-CD1 4.42Å; V86-H122 HydrophobicContact CG1-CB 4.26Å; V86-F139 HydrophobicContact CG1-CB 3.84Å; V86-F139 HydrophobicContact CG1-CD2 4.47Å; V86-E141 VanDerWaalsContact O-CA 3.23Å; V86-E141 WeakPolarHBondContact O-CA 3.33Å; V86-Y142 PolarHBondContact O-N 3.3Å; V86-Y142 VanDerWaalsContact O-N 3.13Å; V86-T143 WeakPolarHBondContact CG2-O 3.31Å
87	F	83.6	Confident	93	Very high	50 Å²	50	22.6 Å²	22.6	22%	0.219	12%	0.12	C	C	.	.			trans	-164.3	174.8	174.4	69.8	-88.5	0	0	0	110.3	R85 Y142 A189	R85-F87 VanDerWaalsContact C-N 3.29Å; R85-F87 HydrophobicContact CB-CD1 4.11Å; R85-F87 HydrophobicContact CB-CE1 3.65Å; R85-F87 HydrophobicContact CG-CE1 3.84Å; R85-F87 PolarHBondContact O-N 3.38Å; F87-Y142 HydrophobicContact CB-CE1 4.09Å; F87-Y142 HydrophobicContact CD1-CD1 4.26Å; F87-Y142 AromaticContact CD1-CE1 3.86Å; F87-Y142 HydrophobicContact CD1-CE1 3.86Å; F87-Y142 HydrophobicContact CG-CE1 4.01Å; F87-A189 HydrophobicContact CE2-CB 4.47Å
88	G	85.3	Confident	93	Very high	35 Å²	35	25.7 Å²	25.7	36%	0.361	14%	0.142	S	C	.	.	S	Bend	trans	101.9	-164.6	170.6	0	0	0	0	0	113.2
89	T	91.9	Very high	93	Very high	68 Å²	68	31.2 Å²	31.2	42%	0.417	17%	0.166	S	C	.	.	S	Bend	trans	-71.2	-46.7	-174.2	-51.1	0	0	0	0	112	F107	T89-F107 HydrophobicContact CG2-CB 3.89Å; T89-F107 VanDerWaalsContact CG2-O 3.3Å; T89-F107 WeakPolarHBondContact CG2-O 3.21Å
90	S	95.9	Very high	93	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	16%	0.163	C	C	.	.			trans	-154.2	134.1	-175.1	164.8	0	0	0	0	112.3	M92 V108 N109 T188	S90-M92 WeakPolarHBondContact OG-CG 3.32Å; S90-V108 WeakPolarHBondContact CB-O 3.42Å; S90-V108 PolarHBondContact OG-O 3.16Å; S90-N109 WeakPolarHBondContact CB-OD1 3.29Å; S90-N109 PolarHBondContact OG-OD1 2.7Å; S90-N109 VanDerWaalsContact OG-OD1 3.11Å; S90-T188 PolarHBondContact N-OG1 3.2Å; S90-T188 PolarHBondContact O-N 3.23Å; S90-T188 PolarHBondContact O-OG1 2.99Å; S90-T188 VanDerWaalsContact O-OG1 3.11Å
91	L	97.4	Very high	92.9	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	125.8	167.5	-59.8	174.9	0	0	0	104.3	V86 S121 H122 S186 S187 T192 M194	V86-L91 HydrophobicContact CG1-CD1 4.42Å; L91-S121 CarbonylContact O-C 3.39Å; L91-S121 VanDerWaalsContact O-CA 3.32Å; L91-S121 WeakPolarHBondContact O-CA 3.49Å; L91-H122 HydrophobicContact CB-CB 4.07Å; L91-H122 HydrophobicContact CD1-CB 4.46Å; L91-H122 PolarHBondContact N-ND1 3.44Å; L91-H122 PolarHBondContact O-N 3.49Å; L91-S186 WeakPolarHBondContact CA-O 3.31Å; L91-S187 VanDerWaalsContact CD2-OG 3.32Å; L91-S187 WeakPolarHBondContact CD2-OG 3.45Å; L91-T192 HydrophobicContact CD2-CG2 3.92Å; L91-M194 HydrophobicContact CB-CE 4.04Å; L91-M194 HydrophobicContact CD2-CE 3.6Å; L91-M194 HydrophobicContact CG-CE 4.31Å
92	M	98.5	Very high	92.8	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	153.3	-175.1	-49.5	-170.7	81.2	0	0	112.9	S90 N109 L110 I111 L120 W127 I185 S186	S90-M92 WeakPolarHBondContact OG-CG 3.32Å; M92-N109 HydrophobicContact CE-CB 3.79Å; M92-N109 VanDerWaalsContact SD-C 3.52Å; M92-N109 WeakPolarHBondContact SD-CA 3.37Å; M92-N109 HydrophobicContact SD-CB 3.51Å; M92-N109 VanDerWaalsContact SD-CB 3.51Å; M92-L110 PolarHBondContact SD-N 3.28Å; M92-L110 VanDerWaalsContact SD-N 3.42Å; M92-I111 HydrophobicContact CB-CB 4.27Å; M92-I111 HydrophobicContact CB-CD1 3.87Å; M92-I111 HydrophobicContact CB-CG1 4.13Å; M92-I111 HydrophobicContact CE-CB 4.34Å; M92-I111 WeakPolarHBondContact CE-O 3.23Å; M92-I111 HydrophobicContact SD-CB 3.98Å; M92-I111 HydrophobicContact SD-CG1 4.43Å; M92-I111 PolarHBondContact SD-N 3.17Å; M92-I111 VanDerWaalsContact SD-N 3.44Å; M92-L120 VanDerWaalsContact CA-O 3.24Å; M92-L120 WeakPolarHBondContact CA-O 3.3Å; M92-W127 HydrophobicContact CE-CB 3.87Å; M92-W127 HydrophobicContact CE-CG 3.86Å; M92-I185 VanDerWaalsContact O-CA 3.3Å; M92-I185 WeakPolarHBondContact O-CA 3.4Å; M92-S186 WeakPolarHBondContact CB-OG 3.37Å; M92-S186 PolarHBondContact N-O 2.88Å; M92-S186 PolarHBondContact O-N 3.26Å
93	F	98.7	Very high	92.8	Very high	1 Å²	1	36.8 Å²	36.8	0%	0.004	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	128.7	-178.6	-40.5	-91.4	0	0	0	108	I80 V82 G119 L120 F139 I147 L149 Y160 I185 M194	I80-F93 HydrophobicContact CB-CD1 3.98Å; I80-F93 HydrophobicContact CB-CE1 4.22Å; I80-F93 HydrophobicContact CG1-CD1 4.2Å; I80-F93 HydrophobicContact CG2-CD1 3.93Å; I80-F93 HydrophobicContact CG2-CE1 3.8Å; V82-F93 HydrophobicContact CG2-CE1 3.57Å; V82-F93 HydrophobicContact CG2-CZ 3.52Å; F93-G119 WeakPolarHBondContact O-CA 3.41Å; F93-L120 PolarHBondContact N-O 3.44Å; F93-L120 PolarHBondContact O-N 2.95Å; F93-F139 HydrophobicContact CD2-CE2 4.37Å; F93-F139 AromaticContact CE2-CE2 3.76Å; F93-F139 HydrophobicContact CE2-CE2 3.76Å; F93-I147 HydrophobicContact CB-CG2 4.17Å; F93-I147 HydrophobicContact CD1-CB 4.22Å; F93-I147 HydrophobicContact CD1-CG1 4.42Å; F93-I147 HydrophobicContact CD1-CG2 4.4Å; F93-I147 HydrophobicContact CD2-CB 4.45Å; F93-I147 HydrophobicContact CD2-CG1 4.16Å; F93-I147 HydrophobicContact CD2-CG2 4.17Å; F93-I147 HydrophobicContact CE1-CB 4.45Å; F93-I147 HydrophobicContact CE1-CG1 4.25Å; F93-I147 HydrophobicContact CE2-CG1 4.02Å; F93-I147 HydrophobicContact CG-CB 4.24Å; F93-I147 HydrophobicContact CG-CG1 4.39Å; F93-I147 HydrophobicContact CG-CG2 3.97Å; F93-I147 HydrophobicContact CZ-CG1 4.07Å; F93-L149 HydrophobicContact CB-CD1 4.09Å; F93-L149 HydrophobicContact CB-CD2 4.21Å; F93-Y160 HydrophobicContact CB-CE1 4.23Å; F93-Y160 WeakPolarHBondContact O-CE1 3.33Å; F93-Y160 PolarHBondContact O-OH 3Å; F93-I185 HydrophobicContact CD1-CG2 3.97Å; F93-M194 HydrophobicContact CE1-CE 4.31Å; F93-M194 HydrophobicContact CE1-SD 3.95Å; F93-M194 HydrophobicContact CZ-CE 4.4Å
94	G	98.8	Very high	93.2	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-177.2	-155.1	-175.6	0	0	0	0	0	114.1	W118 Y160 M184	G94-W118 CarbonylContact C-O 3.48Å; G94-W118 WeakPolarHBondContact CA-O 3.5Å; G94-Y160 WeakPolarHBondContact CA-OH 3.3Å; G94-M184 PolarHBondContact N-O 3.42Å; G94-M184 PolarHBondContact O-N 3.31Å; G94-M184 VanDerWaalsContact O-O 3.14Å
95	I	98.9	Very high	93.9	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	159.6	176.4	65.2	-179.2	0	0	0	109.8	L70 W78 S117 W118 Y151 L158 L174 L181 Y182	L70-I95 HydrophobicContact CD1-CG2 3.83Å; W78-I95 HydrophobicContact CH2-CG2 3.8Å; W78-I95 HydrophobicContact CZ2-CG2 4.02Å; I95-S117 CarbonylContact O-C 3.52Å; I95-S117 WeakPolarHBondContact O-CA 3.35Å; I95-W118 HydrophobicContact CG1-CB 4.3Å; I95-W118 HydrophobicContact CG1-CE3 4.24Å; I95-W118 PolarHBondContact N-O 3.48Å; I95-W118 PolarHBondContact O-N 3.3Å; I95-Y151 HydrophobicContact CD1-CD2 4.33Å; I95-L158 HydrophobicContact CD1-CD2 4.09Å; I95-L158 HydrophobicContact CG1-CD2 4.04Å; I95-L158 HydrophobicContact CG2-CD1 4.29Å; I95-L158 HydrophobicContact CG2-CD2 4.29Å; I95-L174 HydrophobicContact CD1-CD1 3.67Å; I95-L174 HydrophobicContact CD1-CD2 4.16Å; I95-L174 HydrophobicContact CD1-CG 4.49Å; I95-L181 HydrophobicContact CD1-CD1 4.05Å; I95-L181 HydrophobicContact CD1-CD2 4.42Å; I95-Y182 CarbonylContact C-O 3.24Å; I95-Y182 WeakPolarHBondContact CA-O 3.24Å; I95-Y182 WeakPolarHBondContact CB-O 3.4Å
96	G	98.6	Very high	94.7	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-167.8	168.5	172.8	0	0	0	0	0	112.9	H116 Y182 M184	G96-H116 CarbonylContact C-O 3.59Å; G96-H116 VanDerWaalsContact CA-O 3.23Å; G96-H116 WeakPolarHBondContact CA-O 3.46Å; G96-Y182 PolarHBondContact N-O 3.29Å; G96-Y182 PolarHBondContact O-N 3.3Å; G96-M184 VanDerWaalsContact CA-SD 3.52Å; G96-M184 PolarHBondContact N-SD 3.5Å
97	T	98.4	Very high	95.5	Very high	1 Å²	1	42.6 Å²	42.6	1%	0.006	22%	0.223	C	C	.	.			trans	-80.8	175.8	-179.6	71.6	0	0	0	0	111.3	R65 K99 A100 H116 W118 V177 E179 P180 L181	R65-T97 PolarHBondContact NH1-O 3.4Å; T97-K99 PolarHBondContact O-N 3.29Å; T97-K99 PolarHBondContact OG1-N 3.31Å; T97-K99 VanDerWaalsContact OG1-N 3.16Å; T97-A100 PolarHBondContact O-N 2.98Å; T97-H116 PolarHBondContact N-O 2.98Å; T97-H116 WeakPolarHBondContact OG1-CB 3.36Å; T97-H116 PolarHBondContact OG1-O 3.3Å; T97-W118 HydrophobicContact CG2-CZ3 4.47Å; T97-V177 HydrophobicContact CG2-CG1 4.11Å; T97-E179 HydrophobicContact CG2-CB 3.69Å; T97-P180 WeakPolarHBondContact CA-O 3.39Å; T97-L181 HydrophobicContact CG2-CD2 4.03Å
98	S	97	Very high	96.1	Very high	67 Å²	67	42.1 Å²	42.1	47%	0.469	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.8	-18.5	170.6	58.1	0	0	0	0	113.6	R65	R65-S98 PolarHBondContact NH1-O 3.14Å
99	K	97.7	Very high	96.7	Very high	117 Å²	117	41.4 Å²	41.4	51%	0.509	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.4	-15.5	180	-62.1	174.7	178.8	169.3	0	114	T97 H116 E179	T97-K99 PolarHBondContact O-N 3.29Å; T97-K99 PolarHBondContact OG1-N 3.31Å; T97-K99 VanDerWaalsContact OG1-N 3.16Å; K99-H116 HydrophobicContact CB-CB 4.24Å; K99-E179 IonicContact NZ-OE1 2.78Å; K99-E179 PolarHBondContact NZ-OE1 3.21Å
100	A	97.5	Very high	97	Very high	5 Å²	5	38.2 Å²	38.2	4%	0.041	19%	0.193	C	C	.	.	S	Bend	trans	-62.7	136.2	178.2	0	0	0	0	0	110.9	T97 H116 M184	T97-A100 PolarHBondContact O-N 2.98Å; A100-H116 HydrophobicContact CB-CB 4.09Å; A100-M184 HydrophobicContact CB-CE 4.09Å; A100-M184 HydrophobicContact CB-SD 4.08Å
101	S	95.6	Very high	97.1	Very high	43 Å²	43	38.2 Å²	38.2	30%	0.301	19%	0.193	S	C	.	.			trans	-65.3	138.6	177.6	-172.3	0	0	0	0	111.7	H103	S101-H103 PolarHBondContact OG-N 3.28Å; S101-H103 PolarHBondContact OG-O 2.89Å
102	L	95.7	Very high	97.2	Very high	37 Å²	37	38.2 Å²	38.2	19%	0.194	19%	0.193	C	C	.	.	S	Bend	trans	-101.5	-2.4	174.4	-58.5	-175.5	0	0	0	113.3	P35 V62 A63 R65 M184	P35-L102 HydrophobicContact CG-CD1 4.36Å; V62-L102 CarbonylContact C-O 3.6Å; V62-L102 WeakPolarHBondContact CA-O 3.47Å; A63-L102 HydrophobicContact CB-CD2 4.13Å; A63-L102 PolarHBondContact N-O 2.99Å; R65-L102 HydrophobicContact CG-CD2 3.93Å; L102-M184 HydrophobicContact CD2-CE 3.7Å
103	H	94.9	Very high	97.2	Very high	84 Å²	84	41 Å²	41	39%	0.389	21%	0.206	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.3	142.7	-179	179.3	60.8	0	0	0	111.8	T61 V62 S101	T61-H103 WeakPolarHBondContact O-CA 3.3Å; T61-H103 PolarHBondContact O-ND1 2.94Å; V62-H103 WeakPolarHBondContact CG1-ND1 3.49Å; S101-H103 PolarHBondContact OG-N 3.28Å; S101-H103 PolarHBondContact OG-O 2.89Å
104	E	94.5	Very high	97.1	Very high	33 Å²	33	42.7 Å²	42.7	15%	0.154	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	139.4	170.4	170.4	55.1	-110.4	0	0	107.6	G60 T61 R106 V108 L110	G60-E104 CarbonylContact C-O 3.57Å; G60-E104 VanDerWaalsContact CA-O 3.29Å; G60-E104 WeakPolarHBondContact CA-O 3.4Å; T61-E104 PolarHBondContact N-O 2.96Å; T61-E104 PolarHBondContact O-N 2.86Å; E104-R106 VanDerWaalsContact C-N 3.27Å; E104-R106 VanDerWaalsContact CD-NE 3.32Å; E104-R106 HydrophobicContact CG-CB 3.94Å; E104-R106 PolarHBondContact O-N 2.97Å; E104-R106 WeakPolarHBondContact OE1-CG 3.42Å; E104-R106 IonicContact OE1-CZ 3.83Å; E104-R106 PolarHBondContact OE1-N 2.98Å; E104-R106 VanDerWaalsContact OE1-N 3.08Å; E104-R106 IonicContact OE1-NE 2.99Å; E104-R106 PolarHBondContact OE1-NE 2.73Å; E104-R106 IonicContact OE1-NH2 3.77Å; E104-R106 IonicContact OE2-CZ 3.57Å; E104-R106 IonicContact OE2-NE 3.49Å; E104-R106 PolarHBondContact OE2-NE 2.92Å; E104-R106 IonicContact OE2-NH2 2.78Å; E104-R106 PolarHBondContact OE2-NH2 3.13Å; E104-V108 HydrophobicContact CB-CG2 4.27Å; E104-V108 HydrophobicContact CG-CG2 3.66Å; E104-L110 HydrophobicContact CB-CD1 3.98Å
105	T	94.3	Very high	97	Very high	99 Å²	99	45.5 Å²	45.5	61%	0.607	24%	0.235	S	C	*	.	S	Bend	trans	-75.9	-21.9	-178.8	55.5	0	0	0	0	111.7	G60	G60-T105 VanDerWaalsContact CA-O 3.25Å; G60-T105 WeakPolarHBondContact CA-O 3.24Å
106	R	95.8	Very high	97	Very high	150 Å²	150	48 Å²	48	57%	0.566	25%	0.246	S	C	*	.	S	Bend	trans	-79.5	153.8	172.2	-60.7	170.9	-70.6	167.5	4.1	111.7	T61 E104 V108	T61-R106 PolarHBondContact N-O 2.89Å; T61-R106 PolarHBondContact OG1-O 2.79Å; E104-R106 VanDerWaalsContact C-N 3.27Å; E104-R106 VanDerWaalsContact CD-NE 3.32Å; E104-R106 HydrophobicContact CG-CB 3.94Å; E104-R106 PolarHBondContact O-N 2.97Å; E104-R106 WeakPolarHBondContact OE1-CG 3.42Å; E104-R106 IonicContact OE1-CZ 3.83Å; E104-R106 PolarHBondContact OE1-N 2.98Å; E104-R106 VanDerWaalsContact OE1-N 3.08Å; E104-R106 IonicContact OE1-NE 2.99Å; E104-R106 PolarHBondContact OE1-NE 2.73Å; E104-R106 IonicContact OE1-NH2 3.77Å; E104-R106 IonicContact OE2-CZ 3.57Å; E104-R106 IonicContact OE2-NE 3.49Å; E104-R106 PolarHBondContact OE2-NE 2.92Å; E104-R106 IonicContact OE2-NH2 2.78Å; E104-R106 PolarHBondContact OE2-NH2 3.13Å; R106-V108 HydrophobicContact CB-CG1 3.79Å; R106-V108 PolarHBondContact O-N 3.16Å
107	F	96	Very high	97	Very high	104 Å²	104	48.1 Å²	48.1	46%	0.456	25%	0.247	S	C	.	.			trans	-86.4	96	172.1	-53.2	-71.9	0	0	0	109.4	S58 T89 T188	S58-F107 WeakPolarHBondContact OG-CE1 3.4Å; T89-F107 HydrophobicContact CG2-CB 3.89Å; T89-F107 VanDerWaalsContact CG2-O 3.3Å; T89-F107 WeakPolarHBondContact CG2-O 3.21Å; F107-T188 HydrophobicContact CB-CG2 3.99Å; F107-T188 HydrophobicContact CD1-CG2 4.25Å
108	V	97	Very high	97	Very high	40 Å²	40	49 Å²	49	24%	0.242	25%	0.251	C	S	.	.	S	Bend	trans	-139.6	168.8	-170.2	-63.5	0	0	0	0	112.1	T61 S90 E104 R106 L110	T61-V108 WeakPolarHBondContact CG2-O 3.45Å; T61-V108 PolarHBondContact OG1-N 2.62Å; T61-V108 PolarHBondContact OG1-O 2.98Å; S90-V108 WeakPolarHBondContact CB-O 3.42Å; S90-V108 PolarHBondContact OG-O 3.16Å; E104-V108 HydrophobicContact CB-CG2 4.27Å; E104-V108 HydrophobicContact CG-CG2 3.66Å; R106-V108 HydrophobicContact CB-CG1 3.79Å; R106-V108 PolarHBondContact O-N 3.16Å; V108-L110 PolarHBondContact O-N 3.19Å
109	N	98	Very high	97.1	Very high	20 Å²	20	45.9 Å²	45.9	11%	0.107	23%	0.228	C	C	.	.			trans	-73.9	100.1	163.3	-72.8	-34.9	0	0	0	108.6	S90 M92 W127	S90-N109 WeakPolarHBondContact CB-OD1 3.29Å; S90-N109 PolarHBondContact OG-OD1 2.7Å; S90-N109 VanDerWaalsContact OG-OD1 3.11Å; M92-N109 HydrophobicContact CE-CB 3.79Å; M92-N109 VanDerWaalsContact SD-C 3.52Å; M92-N109 WeakPolarHBondContact SD-CA 3.37Å; M92-N109 HydrophobicContact SD-CB 3.51Å; M92-N109 VanDerWaalsContact SD-CB 3.51Å; N109-W127 HydrophobicContact CB-CD2 3.79Å; N109-W127 HydrophobicContact CB-CE3 4.14Å; N109-W127 HydrophobicContact CB-CG 4.22Å; N109-W127 HydrophobicContact CB-CH2 4.36Å; N109-W127 HydrophobicContact CB-CZ2 4.01Å; N109-W127 HydrophobicContact CB-CZ3 4.42Å; N109-W127 WeakPolarHBondContact ND2-CZ2 3.48Å; N109-W127 PolarHBondContact ND2-NE1 3.23Å; N109-W127 VanDerWaalsContact ND2-NE1 3.14Å
110	L	97.9	Very high	97.2	Very high	2 Å²	2	40.3 Å²	40.3	1%	0.01	20%	0.204	C	C	.	.			trans	-79.2	-42	-172.6	179	60.8	0	0	0	112.5	T61 A63 M92 E104 V108 G112 Q113	T61-L110 HydrophobicContact CG2-CB 3.53Å; T61-L110 HydrophobicContact CG2-CD2 3.92Å; T61-L110 HydrophobicContact CG2-CG 4.35Å; A63-L110 HydrophobicContact CB-CD2 3.78Å; M92-L110 PolarHBondContact SD-N 3.28Å; M92-L110 VanDerWaalsContact SD-N 3.42Å; E104-L110 HydrophobicContact CB-CD1 3.98Å; V108-L110 PolarHBondContact O-N 3.19Å; L110-G112 PolarHBondContact O-N 3.08Å; L110-Q113 HydrophobicContact CD1-CG 4.46Å; L110-Q113 WeakPolarHBondContact O-CG 3.43Å; L110-Q113 PolarHBondContact O-N 3.16Å
111	I	98.6	Very high	97.2	Very high	0 Å²	0	40 Å²	40	0%	0	20%	0.202	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76	115.3	178.8	-51.8	-178.9	0	0	0	108.3	M92 W118 W127 M184	M92-I111 HydrophobicContact CB-CB 4.27Å; M92-I111 HydrophobicContact CB-CD1 3.87Å; M92-I111 HydrophobicContact CB-CG1 4.13Å; M92-I111 HydrophobicContact CE-CB 4.34Å; M92-I111 WeakPolarHBondContact CE-O 3.23Å; M92-I111 HydrophobicContact SD-CB 3.98Å; M92-I111 HydrophobicContact SD-CG1 4.43Å; M92-I111 PolarHBondContact SD-N 3.17Å; M92-I111 VanDerWaalsContact SD-N 3.44Å; I111-W118 WeakPolarHBondContact CG2-O 3.37Å; I111-W127 WeakPolarHBondContact O-CB 3.11Å; I111-M184 HydrophobicContact CD1-CB 3.77Å; I111-M184 HydrophobicContact CG1-CE 4.49Å
112	G	98.5	Very high	97.3	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	19%	0.189	C	C	.	.	T	Hydrogen-bonded Turn	trans	91.8	6.7	-175.5	0	0	0	0	0	114.9	L110 D114 S117 H128 D129 G130	L110-G112 PolarHBondContact O-N 3.08Å; G112-D114 PolarHBondContact O-N 3.27Å; G112-S117 WeakPolarHBondContact CA-O 3.47Å; G112-S117 PolarHBondContact N-OG 3.13Å; G112-H128 CarbonylContact O-C 3.57Å; G112-H128 VanDerWaalsContact O-C 3.29Å; G112-H128 WeakPolarHBondContact O-CA 3.29Å; G112-H128 PolarHBondContact O-N 3.47Å; G112-D129 PolarHBondContact O-N 2.84Å; G112-G130 PolarHBondContact O-N 2.95Å
113	Q	98	Very high	97.3	Very high	57 Å²	57	41 Å²	41	27%	0.266	20%	0.199	S	C	.	.	S	Bend	trans	-64.1	-24.2	170.2	78.9	174.7	-0.1	0	0	112.5	L110 G130	L110-Q113 HydrophobicContact CD1-CG 4.46Å; L110-Q113 WeakPolarHBondContact O-CG 3.43Å; L110-Q113 PolarHBondContact O-N 3.16Å; Q113-G130 PolarHBondContact O-N 3.23Å
114	D	97.3	Very high	97.5	Very high	37 Å²	37	37 Å²	37	20%	0.198	18%	0.181	C	C	.	.	S	Bend	trans	-125.5	178.3	179.7	59.5	31.4	0	0	0	110.3	G112 H116 S117 D129	G112-D114 PolarHBondContact O-N 3.27Å; D114-H116 PolarHBondContact O-N 3.28Å; D114-H116 WeakPolarHBondContact OD1-CA 3.45Å; D114-H116 WeakPolarHBondContact OD1-CB 3.4Å; D114-H116 PolarHBondContact OD1-N 3.18Å; D114-S117 PolarHBondContact OD1-N 3.01Å; D114-S117 PolarHBondContact OD1-OG 3.29Å; D114-S117 VanDerWaalsContact OD1-OG 3.13Å; D114-D129 WeakPolarHBondContact O-CA 3.27Å; D114-D129 PolarHBondContact O-N 2.85Å
115	S	97.7	Very high	97.7	Very high	59 Å²	59	37.1 Å²	37.1	41%	0.413	18%	0.181	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.7	6.6	177.2	66.3	0	0	0	0	113.6
116	H	98.4	Very high	97.9	Very high	53 Å²	53	32.6 Å²	32.6	25%	0.245	15%	0.154	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104	0.3	-174.3	-68.9	-50.4	0	0	0	113.4	G96 T97 K99 A100 D114	G96-H116 CarbonylContact C-O 3.59Å; G96-H116 VanDerWaalsContact CA-O 3.23Å; G96-H116 WeakPolarHBondContact CA-O 3.46Å; T97-H116 PolarHBondContact N-O 2.98Å; T97-H116 WeakPolarHBondContact OG1-CB 3.36Å; T97-H116 PolarHBondContact OG1-O 3.3Å; K99-H116 HydrophobicContact CB-CB 4.24Å; A100-H116 HydrophobicContact CB-CB 4.09Å; D114-H116 PolarHBondContact O-N 3.28Å; D114-H116 WeakPolarHBondContact OD1-CA 3.45Å; D114-H116 WeakPolarHBondContact OD1-CB 3.4Å; D114-H116 PolarHBondContact OD1-N 3.18Å
117	S	98.8	Very high	98	Very high	2 Å²	2	27.6 Å²	27.6	1%	0.014	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.6	158.2	-178.8	52.2	0	0	0	0	112.9	I95 G112 D114 H128	I95-S117 CarbonylContact O-C 3.52Å; I95-S117 WeakPolarHBondContact O-CA 3.35Å; G112-S117 WeakPolarHBondContact CA-O 3.47Å; G112-S117 PolarHBondContact N-OG 3.13Å; D114-S117 PolarHBondContact OD1-N 3.01Å; D114-S117 PolarHBondContact OD1-OG 3.29Å; D114-S117 VanDerWaalsContact OD1-OG 3.13Å; S117-H128 PolarHBondContact O-ND1 3.12Å
118	W	98.8	Very high	98.2	Very high	21 Å²	21	25.2 Å²	25.2	8%	0.08	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	123.2	-177.9	-62.9	-99.8	0	0	0	108.3	G94 I95 T97 I111 W127 H128 F171 L174 V177 L181	G94-W118 CarbonylContact C-O 3.48Å; G94-W118 WeakPolarHBondContact CA-O 3.5Å; I95-W118 HydrophobicContact CG1-CB 4.3Å; I95-W118 HydrophobicContact CG1-CE3 4.24Å; I95-W118 PolarHBondContact N-O 3.48Å; I95-W118 PolarHBondContact O-N 3.3Å; T97-W118 HydrophobicContact CG2-CZ3 4.47Å; I111-W118 WeakPolarHBondContact CG2-O 3.37Å; W118-W127 WeakPolarHBondContact CA-O 3.23Å; W118-H128 AromaticContact CD1-CD2 3.92Å; W118-H128 AromaticContact CD1-CE1 3.92Å; W118-H128 AromaticContact CD1-CG 3.37Å; W118-H128 AromaticContact CD1-ND1 3.39Å; W118-H128 AromaticContact CD2-ND1 3.74Å; W118-H128 AromaticContact CE2-CE1 3.17Å; W118-H128 AromaticContact CE2-CG 3.99Å; W118-H128 AromaticContact CE2-ND1 3.32Å; W118-H128 VanDerWaalsContact CE2-ND1 3.32Å; W118-H128 AromaticContact CE2-NE2 3.76Å; W118-H128 HydrophobicContact CG-CB 4.35Å; W118-H128 AromaticContact CG-ND1 3.78Å; W118-H128 AromaticContact CZ2-CE1 3.25Å; W118-H128 WeakPolarHBondContact CZ2-CE1 3.27Å; W118-H128 AromaticContact CZ2-ND1 3.86Å; W118-H128 AromaticContact CZ2-NE2 3.87Å; W118-H128 AromaticContact NE1-CD2 3.45Å; W118-H128 PolarHBondContact NE1-CD2 3.16Å; W118-H128 AromaticContact NE1-CE1 3.16Å; W118-H128 PolarHBondContact NE1-CE1 3.45Å; W118-H128 AromaticContact NE1-CG 3.29Å; W118-H128 VanDerWaalsContact NE1-CG 3.29Å; W118-H128 AromaticContact NE1-ND1 3.12Å; W118-H128 PolarHBondContact NE1-ND1 2.87Å; W118-H128 VanDerWaalsContact NE1-ND1 3.12Å; W118-H128 AromaticContact NE1-NE2 3.35Å; W118-H128 PolarHBondContact NE1-NE2 2.86Å; W118-F171 HydrophobicContact CB-CD1 4.22Å; W118-F171 HydrophobicContact CB-CD2 3.9Å; W118-F171 HydrophobicContact CB-CE1 4.13Å; W118-F171 HydrophobicContact CB-CE2 3.8Å; W118-F171 HydrophobicContact CB-CG 4.08Å; W118-F171 HydrophobicContact CB-CZ 3.91Å; W118-F171 AromaticContact CD1-CD1 3.5Å; W118-F171 VanDerWaalsContact CD1-CD1 3.5Å; W118-F171 AromaticContact CD1-CE1 3.85Å; W118-F171 AromaticContact CD1-CG 3.85Å; W118-F171 HydrophobicContact CG-CD1 4.24Å; W118-F171 HydrophobicContact CG-CE1 4.42Å; W118-F171 HydrophobicContact CG-CG 4.3Å; W118-L174 HydrophobicContact CD2-CD2 3.68Å; W118-L174 HydrophobicContact CE3-CD2 4.16Å; W118-L174 HydrophobicContact CG-CD2 3.98Å; W118-L174 HydrophobicContact CZ2-CD2 4.14Å; W118-V177 HydrophobicContact CH2-CG1 4.27Å; W118-V177 HydrophobicContact CH2-CG2 3.62Å; W118-V177 HydrophobicContact CZ2-CG2 3.84Å; W118-L181 HydrophobicContact CE3-CD2 4.11Å; W118-L181 HydrophobicContact CH2-CD2 4.35Å; W118-L181 HydrophobicContact CZ3-CD2 3.55Å
119	G	98.8	Very high	98.2	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.9	153.2	-171.6	0	0	0	0	0	115	F93 L126 W127	F93-G119 WeakPolarHBondContact O-CA 3.41Å; G119-L126 CarbonylContact O-C 3.49Å; G119-L126 WeakPolarHBondContact O-CA 3.42Å; G119-W127 PolarHBondContact N-O 2.91Å; G119-W127 PolarHBondContact O-N 2.95Å
120	L	98.8	Very high	98.2	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	127	167.4	174.2	62.1	0	0	0	108.6	M92 F93 L126 F135 T136 F139 Y160 L167	M92-L120 VanDerWaalsContact CA-O 3.24Å; M92-L120 WeakPolarHBondContact CA-O 3.3Å; F93-L120 PolarHBondContact N-O 3.44Å; F93-L120 PolarHBondContact O-N 2.95Å; L120-L126 HydrophobicContact CB-CD2 4Å; L120-L126 HydrophobicContact CD1-CD2 3.89Å; L120-L126 HydrophobicContact CG-CD2 4.49Å; L120-F135 HydrophobicContact CD1-CD1 4.16Å; L120-T136 HydrophobicContact CD1-CG2 4.28Å; L120-F139 HydrophobicContact CD2-CZ 4Å; L120-F139 HydrophobicContact CG-CZ 4.38Å; L120-Y160 HydrophobicContact CB-CD1 3.99Å; L120-Y160 HydrophobicContact CB-CE1 3.49Å; L120-Y160 VanDerWaalsContact CB-CE1 3.49Å; L120-Y160 HydrophobicContact CB-CE2 4.12Å; L120-Y160 HydrophobicContact CB-CG 4.46Å; L120-Y160 HydrophobicContact CD2-CD1 3.5Å; L120-Y160 HydrophobicContact CD2-CD2 4.38Å; L120-Y160 HydrophobicContact CD2-CE1 3.93Å; L120-Y160 HydrophobicContact CD2-CG 3.74Å; L120-Y160 HydrophobicContact CG-CD1 4.4Å; L120-Y160 HydrophobicContact CG-CE1 4.36Å; L120-Y160 PolarHBondContact N-OH 3.31Å; L120-L167 HydrophobicContact CD2-CD1 4.27Å
121	S	98.2	Very high	98.2	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84	155.7	169.7	67.8	0	0	0	0	111.6	L91 K123 G124 Q125	L91-S121 CarbonylContact O-C 3.39Å; L91-S121 VanDerWaalsContact O-CA 3.32Å; L91-S121 WeakPolarHBondContact O-CA 3.49Å; S121-K123 PolarHBondContact O-N 3.39Å; S121-K123 PolarHBondContact OG-N 2.94Å; S121-G124 PolarHBondContact O-N 2.83Å; S121-Q125 PolarHBondContact N-O 3.26Å; S121-Q125 PolarHBondContact OG-N 2.79Å; S121-Q125 PolarHBondContact OG-O 2.78Å
122	H	96.9	Very high	98.2	Very high	7 Å²	7	39.6 Å²	39.6	3%	0.032	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.6	-11.8	170.6	75.9	-70.6	0	0	0	114.2	V86 L91 G124 F139	V86-H122 HydrophobicContact CG1-CB 4.26Å; L91-H122 HydrophobicContact CB-CB 4.07Å; L91-H122 HydrophobicContact CD1-CB 4.46Å; L91-H122 PolarHBondContact N-ND1 3.44Å; L91-H122 PolarHBondContact O-N 3.49Å; H122-G124 PolarHBondContact O-N 2.84Å; H122-F139 HydrophobicContact CB-CB 4.4Å; H122-F139 HydrophobicContact CB-CD2 3.59Å; H122-F139 HydrophobicContact CB-CE2 4.04Å; H122-F139 HydrophobicContact CB-CG 4.16Å; H122-F139 WeakPolarHBondContact O-CG 3.39Å; H122-F139 PolarHBondContact O-N 3.5Å
123	K	97.1	Very high	98.2	Very high	94 Å²	94	47.1 Å²	47.1	41%	0.409	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82	3.7	170.9	-62.9	-174.7	177	178	0	113	S121 Q125 Q134	S121-K123 PolarHBondContact O-N 3.39Å; S121-K123 PolarHBondContact OG-N 2.94Å; K123-Q125 VanDerWaalsContact C-N 3.34Å; K123-Q134 PolarHBondContact O-NE2 2.75Å
124	G	98	Very high	98.2	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	24%	0.239	C	C	.	.	S	Bend	trans	79.9	14.7	176.5	0	0	0	0	0	114.6	S121 H122 Q134 F135 T136	S121-G124 PolarHBondContact O-N 2.83Å; H122-G124 PolarHBondContact O-N 2.84Å; G124-Q134 PolarHBondContact O-NE2 2.57Å; G124-F135 PolarHBondContact O-N 2.83Å; G124-T136 VanDerWaalsContact CA-O 3.31Å; G124-T136 WeakPolarHBondContact CA-O 3.48Å; G124-T136 PolarHBondContact O-N 3.45Å; G124-T136 VanDerWaalsContact O-N 3.13Å
125	Q	98.6	Very high	98.3	Very high	34 Å²	34	49.8 Å²	49.8	16%	0.159	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	135.1	-179.9	-55.9	169.1	-58.2	0	0	111	S121 K123 E132 R133	S121-Q125 PolarHBondContact N-O 3.26Å; S121-Q125 PolarHBondContact OG-N 2.79Å; S121-Q125 PolarHBondContact OG-O 2.78Å; K123-Q125 VanDerWaalsContact C-N 3.34Å; Q125-E132 VanDerWaalsContact NE2-CD 3.34Å; Q125-E132 PolarHBondContact NE2-OE2 2.89Å; Q125-R133 CarbonylContact C-O 3.29Å; Q125-R133 WeakPolarHBondContact CA-O 3.46Å
126	L	98.8	Very high	98.3	Very high	5 Å²	5	48.2 Å²	48.2	3%	0.026	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	142.8	168.5	-62.9	176	0	0	0	110.4	G119 L120 E132 R133 F135 Y160 A170 F171	G119-L126 CarbonylContact O-C 3.49Å; G119-L126 WeakPolarHBondContact O-CA 3.42Å; L120-L126 HydrophobicContact CB-CD2 4Å; L120-L126 HydrophobicContact CD1-CD2 3.89Å; L120-L126 HydrophobicContact CG-CD2 4.49Å; L126-E132 CarbonylContact O-C 3.49Å; L126-E132 WeakPolarHBondContact O-CA 3.3Å; L126-R133 PolarHBondContact N-O 3.48Å; L126-R133 PolarHBondContact O-N 3.13Å; L126-F135 HydrophobicContact CD1-CB 3.69Å; L126-F135 HydrophobicContact CD1-CD1 4.32Å; L126-F135 HydrophobicContact CD1-CD2 3.66Å; L126-F135 HydrophobicContact CD1-CE2 4.36Å; L126-F135 HydrophobicContact CD1-CG 3.63Å; L126-F135 HydrophobicContact CD2-CB 4.21Å; L126-F135 HydrophobicContact CD2-CD1 3.99Å; L126-F135 HydrophobicContact CD2-CG 4.08Å; L126-F135 HydrophobicContact CG-CB 3.51Å; L126-F135 HydrophobicContact CG-CD1 4.19Å; L126-F135 HydrophobicContact CG-CD2 4.32Å; L126-F135 HydrophobicContact CG-CG 3.76Å; L126-Y160 HydrophobicContact CD2-CE2 4.36Å; L126-A170 HydrophobicContact CD1-CB 3.63Å; L126-A170 WeakPolarHBondContact CD1-O 3.38Å; L126-A170 HydrophobicContact CD2-CB 3.53Å; L126-A170 HydrophobicContact CG-CB 4.22Å; L126-F171 HydrophobicContact CB-CE1 4.16Å; L126-F171 HydrophobicContact CB-CZ 3.82Å; L126-F171 HydrophobicContact CD2-CE2 3.85Å; L126-F171 HydrophobicContact CD2-CZ 3.91Å; L126-F171 HydrophobicContact CG-CZ 4.28Å
127	W	98.7	Very high	98.3	Very high	44 Å²	44	52.7 Å²	52.7	17%	0.167	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	131.9	-178.3	-75.5	73.8	0	0	0	111.1	M92 N109 I111 W118 G119 K131 E132	M92-W127 HydrophobicContact CE-CB 3.87Å; M92-W127 HydrophobicContact CE-CG 3.86Å; N109-W127 HydrophobicContact CB-CD2 3.79Å; N109-W127 HydrophobicContact CB-CE3 4.14Å; N109-W127 HydrophobicContact CB-CG 4.22Å; N109-W127 HydrophobicContact CB-CH2 4.36Å; N109-W127 HydrophobicContact CB-CZ2 4.01Å; N109-W127 HydrophobicContact CB-CZ3 4.42Å; N109-W127 WeakPolarHBondContact ND2-CZ2 3.48Å; N109-W127 PolarHBondContact ND2-NE1 3.23Å; N109-W127 VanDerWaalsContact ND2-NE1 3.14Å; I111-W127 WeakPolarHBondContact O-CB 3.11Å; W118-W127 WeakPolarHBondContact CA-O 3.23Å; G119-W127 PolarHBondContact N-O 2.91Å; G119-W127 PolarHBondContact O-N 2.95Å; W127-K131 WeakPolarHBondContact CA-O 3.27Å; W127-E132 HydrophobicContact CD2-CB 4.04Å; W127-E132 HydrophobicContact CH2-CB 4.31Å; W127-E132 HydrophobicContact CZ2-CB 3.81Å; W127-E132 HydrophobicContact CZ2-CG 4.32Å; W127-E132 WeakPolarHBondContact CZ2-OE2 3.39Å
128	H	98.6	Very high	98.2	Very high	54 Å²	54	56 Å²	56	25%	0.25	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-163	142.4	169.5	175.4	58.9	0	0	0	109.5	G112 S117 W118 G130 K131 F171	G112-H128 CarbonylContact O-C 3.57Å; G112-H128 VanDerWaalsContact O-C 3.29Å; G112-H128 WeakPolarHBondContact O-CA 3.29Å; G112-H128 PolarHBondContact O-N 3.47Å; S117-H128 PolarHBondContact O-ND1 3.12Å; W118-H128 AromaticContact CD1-CD2 3.92Å; W118-H128 AromaticContact CD1-CE1 3.92Å; W118-H128 AromaticContact CD1-CG 3.37Å; W118-H128 AromaticContact CD1-ND1 3.39Å; W118-H128 AromaticContact CD2-ND1 3.74Å; W118-H128 AromaticContact CE2-CE1 3.17Å; W118-H128 AromaticContact CE2-CG 3.99Å; W118-H128 AromaticContact CE2-ND1 3.32Å; W118-H128 VanDerWaalsContact CE2-ND1 3.32Å; W118-H128 AromaticContact CE2-NE2 3.76Å; W118-H128 HydrophobicContact CG-CB 4.35Å; W118-H128 AromaticContact CG-ND1 3.78Å; W118-H128 AromaticContact CZ2-CE1 3.25Å; W118-H128 WeakPolarHBondContact CZ2-CE1 3.27Å; W118-H128 AromaticContact CZ2-ND1 3.86Å; W118-H128 AromaticContact CZ2-NE2 3.87Å; W118-H128 AromaticContact NE1-CD2 3.45Å; W118-H128 PolarHBondContact NE1-CD2 3.16Å; W118-H128 AromaticContact NE1-CE1 3.16Å; W118-H128 PolarHBondContact NE1-CE1 3.45Å; W118-H128 AromaticContact NE1-CG 3.29Å; W118-H128 VanDerWaalsContact NE1-CG 3.29Å; W118-H128 AromaticContact NE1-ND1 3.12Å; W118-H128 PolarHBondContact NE1-ND1 2.87Å; W118-H128 VanDerWaalsContact NE1-ND1 3.12Å; W118-H128 AromaticContact NE1-NE2 3.35Å; W118-H128 PolarHBondContact NE1-NE2 2.86Å; H128-G130 PolarHBondContact O-N 2.84Å; H128-K131 PolarHBondContact N-O 2.85Å; H128-K131 VanDerWaalsContact N-O 3.16Å; H128-K131 WeakPolarHBondContact O-CB 3.21Å; H128-K131 PolarHBondContact O-N 3.35Å; H128-F171 HydrophobicContact CB-CE1 4.03Å
129	D	98.1	Very high	98	Very high	73 Å²	73	55.4 Å²	55.4	39%	0.39	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	55.2	35.9	176.1	-170.9	46	0	0	0	112.6	G112 D114 K131	G112-D129 PolarHBondContact O-N 2.84Å; D114-D129 WeakPolarHBondContact O-CA 3.27Å; D114-D129 PolarHBondContact O-N 2.85Å; D129-K131 PolarHBondContact O-N 2.95Å; D129-K131 VanDerWaalsContact O-N 3.13Å; D129-K131 IonicContact OD2-NZ 2.64Å; D129-K131 PolarHBondContact OD2-NZ 2.77Å
130	G	97.9	Very high	97.8	Very high	44 Å²	44	59.5 Å²	59.5	45%	0.454	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	68.5	6.7	-178	0	0	0	0	0	114.9	G112 Q113 H128	G112-G130 PolarHBondContact O-N 2.95Å; Q113-G130 PolarHBondContact O-N 3.23Å; H128-G130 PolarHBondContact O-N 2.84Å
131	K	98.4	Very high	97.5	Very high	136 Å²	136	64.6 Å²	64.6	59%	0.591	32%	0.317	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-103.9	142.6	-179.4	-64.5	164.5	-171.4	142.1	0	110.3	W127 H128 D129	W127-K131 WeakPolarHBondContact CA-O 3.27Å; H128-K131 PolarHBondContact N-O 2.85Å; H128-K131 VanDerWaalsContact N-O 3.16Å; H128-K131 WeakPolarHBondContact O-CB 3.21Å; H128-K131 PolarHBondContact O-N 3.35Å; D129-K131 PolarHBondContact O-N 2.95Å; D129-K131 VanDerWaalsContact O-N 3.13Å; D129-K131 IonicContact OD2-NZ 2.64Å; D129-K131 PolarHBondContact OD2-NZ 2.77Å
132	E	97.8	Very high	97.2	Very high	111 Å²	111	71.3 Å²	71.3	52%	0.519	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	151.9	176.3	66.8	172.6	-167.2	0	0	112.7	Q125 L126 W127	Q125-E132 VanDerWaalsContact NE2-CD 3.34Å; Q125-E132 PolarHBondContact NE2-OE2 2.89Å; L126-E132 CarbonylContact O-C 3.49Å; L126-E132 WeakPolarHBondContact O-CA 3.3Å; W127-E132 HydrophobicContact CD2-CB 4.04Å; W127-E132 HydrophobicContact CH2-CB 4.31Å; W127-E132 HydrophobicContact CZ2-CB 3.81Å; W127-E132 HydrophobicContact CZ2-CG 4.32Å; W127-E132 WeakPolarHBondContact CZ2-OE2 3.39Å
133	R	98.2	Very high	97	Very high	158 Å²	158	73.9 Å²	73.9	60%	0.596	36%	0.36	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-148.2	138.6	169.1	-173.1	-177.9	67.6	-166.7	-3.3	110.5	Q125 L126	Q125-R133 CarbonylContact C-O 3.29Å; Q125-R133 WeakPolarHBondContact CA-O 3.46Å; L126-R133 PolarHBondContact N-O 3.48Å; L126-R133 PolarHBondContact O-N 3.13Å
134	Q	98.5	Very high	96.9	Very high	103 Å²	103	72.4 Å²	72.4	48%	0.481	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.4	136.2	171.5	-161.3	66	28.8	0	0	110.8	K123 G124 T136	K123-Q134 PolarHBondContact O-NE2 2.75Å; G124-Q134 PolarHBondContact O-NE2 2.57Å; Q134-T136 PolarHBondContact NE2-O 3.22Å
135	F	98.6	Very high	96.8	Very high	47 Å²	47	72.5 Å²	72.5	21%	0.206	36%	0.36	C	S	.	.			trans	-132.7	-36.8	-177.3	173.5	-109.9	0	0	0	113.5	L120 G124 L126 Y160 L167 A170	L120-F135 HydrophobicContact CD1-CD1 4.16Å; G124-F135 PolarHBondContact O-N 2.83Å; L126-F135 HydrophobicContact CD1-CB 3.69Å; L126-F135 HydrophobicContact CD1-CD1 4.32Å; L126-F135 HydrophobicContact CD1-CD2 3.66Å; L126-F135 HydrophobicContact CD1-CE2 4.36Å; L126-F135 HydrophobicContact CD1-CG 3.63Å; L126-F135 HydrophobicContact CD2-CB 4.21Å; L126-F135 HydrophobicContact CD2-CD1 3.99Å; L126-F135 HydrophobicContact CD2-CG 4.08Å; L126-F135 HydrophobicContact CG-CB 3.51Å; L126-F135 HydrophobicContact CG-CD1 4.19Å; L126-F135 HydrophobicContact CG-CD2 4.32Å; L126-F135 HydrophobicContact CG-CG 3.76Å; F135-Y160 HydrophobicContact CE1-CD2 4.45Å; F135-L167 HydrophobicContact CE1-CB 3.57Å; F135-L167 HydrophobicContact CE1-CD1 4.16Å; F135-L167 HydrophobicContact CZ-CB 3.86Å; F135-A170 HydrophobicContact CE1-CB 4.22Å; F135-A170 HydrophobicContact CE2-CB 4.18Å; F135-A170 HydrophobicContact CZ-CB 3.96Å
136	T	98.4	Very high	96.7	Very high	27 Å²	27	72.5 Å²	72.5	17%	0.166	36%	0.363	C	S	.	.	S	Bend	trans	-143.7	166	175.9	179.2	0	0	0	0	109.3	L120 G124 Q134 F139 L167	L120-T136 HydrophobicContact CD1-CG2 4.28Å; G124-T136 VanDerWaalsContact CA-O 3.31Å; G124-T136 WeakPolarHBondContact CA-O 3.48Å; G124-T136 PolarHBondContact O-N 3.45Å; G124-T136 VanDerWaalsContact O-N 3.13Å; Q134-T136 PolarHBondContact NE2-O 3.22Å; T136-F139 HydrophobicContact CG2-CE1 4.13Å; T136-L167 HydrophobicContact CG2-CD1 3.9Å
137	E	97.5	Very high	96.7	Very high	147 Å²	147	72.3 Å²	72.3	69%	0.687	36%	0.362	S	S	*	.	P	Polyproline II helix	trans	-58.7	147	167.7	-65.1	-55.3	135	0	0	111.6
138	P	97	Very high	96.6	Very high	72 Å²	72	70.2 Å²	70.2	47%	0.468	35%	0.354	S	S	.	.	P	Polyproline II helix	trans	-51.3	146.4	170.7	-25.3	33.3	0	0	0	112.4
139	F	95.5	Very high	96.6	Very high	8 Å²	8	67.7 Å²	67.7	4%	0.035	34%	0.342	C	S	.	.	P	Polyproline II helix	trans	-71.9	141.2	177.6	-56.6	-6.7	0	0	0	109.4	V86 F93 L120 H122 T136 E141 T145 I147 K162	V86-F139 HydrophobicContact CG1-CB 3.84Å; V86-F139 HydrophobicContact CG1-CD2 4.47Å; F93-F139 HydrophobicContact CD2-CE2 4.37Å; F93-F139 AromaticContact CE2-CE2 3.76Å; F93-F139 HydrophobicContact CE2-CE2 3.76Å; L120-F139 HydrophobicContact CD2-CZ 4Å; L120-F139 HydrophobicContact CG-CZ 4.38Å; H122-F139 HydrophobicContact CB-CB 4.4Å; H122-F139 HydrophobicContact CB-CD2 3.59Å; H122-F139 HydrophobicContact CB-CE2 4.04Å; H122-F139 HydrophobicContact CB-CG 4.16Å; H122-F139 WeakPolarHBondContact O-CG 3.39Å; H122-F139 PolarHBondContact O-N 3.5Å; T136-F139 HydrophobicContact CG2-CE1 4.13Å; F139-E141 PolarHBondContact O-N 3.15Å; F139-T145 HydrophobicContact CD2-CG2 4.18Å; F139-T145 HydrophobicContact CG-CG2 4.47Å; F139-I147 HydrophobicContact CD2-CD1 4.03Å; F139-I147 HydrophobicContact CE1-CD1 4.18Å; F139-I147 HydrophobicContact CE2-CD1 3.28Å; F139-I147 HydrophobicContact CE2-CG1 3.69Å; F139-I147 HydrophobicContact CZ-CD1 3.38Å; F139-I147 HydrophobicContact CZ-CG1 4.13Å; F139-K162 HydrophobicContact CD1-CD 3.75Å; F139-K162 HydrophobicContact CE1-CD 3.97Å; F139-K162 HydrophobicContact CG-CD 4.43Å
140	T	94.5	Very high	96.6	Very high	85 Å²	85	65 Å²	65	52%	0.521	33%	0.328	S	S	.	.	P	Polyproline II helix	trans	-63.1	121.2	179.6	-49.9	0	0	0	0	110.2	T143	T140-T143 WeakPolarHBondContact CG2-OG1 3.47Å; T140-T143 WeakPolarHBondContact O-CB 3.11Å; T140-T143 PolarHBondContact O-N 2.97Å
141	E	92.6	Very high	96.6	Very high	107 Å²	107	63 Å²	63	50%	0.5	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60	150.2	179.1	-64.2	-171.8	179.1	0	0	111.7	V86 F139 T143	V86-E141 VanDerWaalsContact O-CA 3.23Å; V86-E141 WeakPolarHBondContact O-CA 3.33Å; F139-E141 PolarHBondContact O-N 3.15Å; E141-T143 PolarHBondContact O-N 3Å; E141-T143 PolarHBondContact O-OG1 3.37Å
142	Y	91.4	Very high	96.6	Very high	142 Å²	142	57.3 Å²	57.3	56%	0.557	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.1	11.5	177.3	-47.6	-72.3	0	0	0	115.7	H84 V86 F87	H84-Y142 WeakPolarHBondContact O-CA 3.26Å; V86-Y142 PolarHBondContact O-N 3.3Å; V86-Y142 VanDerWaalsContact O-N 3.13Å; F87-Y142 HydrophobicContact CB-CE1 4.09Å; F87-Y142 HydrophobicContact CD1-CD1 4.26Å; F87-Y142 AromaticContact CD1-CE1 3.86Å; F87-Y142 HydrophobicContact CD1-CE1 3.86Å; F87-Y142 HydrophobicContact CG-CE1 4.01Å
143	T	93.5	Very high	96.4	Very high	60 Å²	60	52.2 Å²	52.2	37%	0.368	26%	0.259	S	S	.	.	S	Bend	trans	-106.3	128.1	178.2	-58.6	0	0	0	0	109.6	V86 T140 E141 T145	V86-T143 WeakPolarHBondContact CG2-O 3.31Å; T140-T143 WeakPolarHBondContact CG2-OG1 3.47Å; T140-T143 WeakPolarHBondContact O-CB 3.11Å; T140-T143 PolarHBondContact O-N 2.97Å; E141-T143 PolarHBondContact O-N 3Å; E141-T143 PolarHBondContact O-OG1 3.37Å; T143-T145 PolarHBondContact O-N 2.79Å; T143-T145 PolarHBondContact O-OG1 2.81Å; T143-T145 VanDerWaalsContact O-OG1 3.11Å
144	P	94.6	Very high	96.2	Very high	64 Å²	64	48.2 Å²	48.2	42%	0.416	26%	0.256	S	S	.	.			trans	-55.1	131.4	172	-23.6	35.1	0	0	0	109.7	V82 H84	V82-P144 WeakPolarHBondContact O-CA 3.26Å; H84-P144 WeakPolarHBondContact CE1-CG 3.25Å; H84-P144 VanDerWaalsContact ND1-CD 3.32Å; H84-P144 WeakPolarHBondContact ND1-CD 3.44Å; H84-P144 WeakPolarHBondContact ND1-CG 3.46Å
145	T	95.8	Very high	96	Very high	1 Å²	1	48.9 Å²	48.9	1%	0.006	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	133	-175.7	-60.2	0	0	0	0	108.8	V82 F139 T143 I147 K162	V82-T145 PolarHBondContact N-O 2.86Å; V82-T145 PolarHBondContact O-N 3.07Å; V82-T145 VanDerWaalsContact O-N 3.12Å; F139-T145 HydrophobicContact CD2-CG2 4.18Å; F139-T145 HydrophobicContact CG-CG2 4.47Å; T143-T145 PolarHBondContact O-N 2.79Å; T143-T145 PolarHBondContact O-OG1 2.81Å; T143-T145 VanDerWaalsContact O-OG1 3.11Å; T145-I147 HydrophobicContact CG2-CD1 3.59Å; T145-I147 HydrophobicContact CG2-CG1 4.22Å; T145-K162 HydrophobicContact CG2-CD 4.45Å; T145-K162 HydrophobicContact CG2-CG 3.99Å
146	T	96.7	Very high	96	Very high	35 Å²	35	46.7 Å²	46.7	22%	0.215	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	122.2	172.7	-59.9	0	0	0	0	109.3	E79 I80 D81 D163	E79-T146 HydrophobicContact CB-CG2 3.96Å; E79-T146 HydrophobicContact CG-CG2 4.15Å; I80-T146 WeakPolarHBondContact O-CA 3.42Å; D81-T146 WeakPolarHBondContact OD1-CB 3.18Å; D81-T146 VanDerWaalsContact OD1-CG2 3.29Å; D81-T146 WeakPolarHBondContact OD1-CG2 3.11Å; D81-T146 PolarHBondContact OD1-OG1 3.03Å; T146-D163 PolarHBondContact N-OD1 3.36Å; T146-D163 PolarHBondContact O-N 2.99Å
147	I	97.7	Very high	96	Very high	0 Å²	0	46.6 Å²	46.6	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	114.3	176.1	-56	-56.2	0	0	0	109.4	E79 I80 F93 F139 T145 L149 Y160 Y161 K162	E79-I147 WeakPolarHBondContact CA-O 3.47Å; I80-I147 PolarHBondContact N-O 3.15Å; I80-I147 PolarHBondContact O-N 2.75Å; F93-I147 HydrophobicContact CB-CG2 4.17Å; F93-I147 HydrophobicContact CD1-CB 4.22Å; F93-I147 HydrophobicContact CD1-CG1 4.42Å; F93-I147 HydrophobicContact CD1-CG2 4.4Å; F93-I147 HydrophobicContact CD2-CB 4.45Å; F93-I147 HydrophobicContact CD2-CG1 4.16Å; F93-I147 HydrophobicContact CD2-CG2 4.17Å; F93-I147 HydrophobicContact CE1-CB 4.45Å; F93-I147 HydrophobicContact CE1-CG1 4.25Å; F93-I147 HydrophobicContact CE2-CG1 4.02Å; F93-I147 HydrophobicContact CG-CB 4.24Å; F93-I147 HydrophobicContact CG-CG1 4.39Å; F93-I147 HydrophobicContact CG-CG2 3.97Å; F93-I147 HydrophobicContact CZ-CG1 4.07Å; F139-I147 HydrophobicContact CD2-CD1 4.03Å; F139-I147 HydrophobicContact CE1-CD1 4.18Å; F139-I147 HydrophobicContact CE2-CD1 3.28Å; F139-I147 HydrophobicContact CE2-CG1 3.69Å; F139-I147 HydrophobicContact CZ-CD1 3.38Å; F139-I147 HydrophobicContact CZ-CG1 4.13Å; T145-I147 HydrophobicContact CG2-CD1 3.59Å; T145-I147 HydrophobicContact CG2-CG1 4.22Å; I147-L149 HydrophobicContact CG2-CD1 3.95Å; I147-Y160 HydrophobicContact CG2-CD1 4.01Å; I147-Y161 WeakPolarHBondContact CA-O 3.34Å; I147-K162 HydrophobicContact CD1-CB 4.2Å; I147-K162 HydrophobicContact CD1-CG 4.03Å
148	G	98	Very high	96.1	Very high	1 Å²	1	39.6 Å²	39.6	1%	0.01	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	137.5	171.7	0	0	0	0	0	110.8	W78 Y160 Y161	W78-G148 CarbonylContact O-C 3.5Å; W78-G148 WeakPolarHBondContact O-CA 3.43Å; G148-Y160 CarbonylContact O-C 3.59Å; G148-Y160 WeakPolarHBondContact O-CA 3.13Å; G148-Y161 PolarHBondContact N-O 3.3Å; G148-Y161 PolarHBondContact O-N 3.13Å
149	L	98.6	Very high	96.1	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	130.3	174.6	-66.8	90.8	0	0	0	108.6	Y77 W78 I80 F93 I147 L158 S159 Y160	Y77-L149 CarbonylContact C-O 3.49Å; Y77-L149 VanDerWaalsContact CA-O 3.23Å; Y77-L149 WeakPolarHBondContact CA-O 3.1Å; Y77-L149 VanDerWaalsContact CD2-O 3.24Å; Y77-L149 WeakPolarHBondContact CD2-O 3.44Å; W78-L149 HydrophobicContact CD2-CB 3.93Å; W78-L149 HydrophobicContact CE3-CB 4.26Å; W78-L149 HydrophobicContact CH2-CB 3.84Å; W78-L149 HydrophobicContact CH2-CD2 4.45Å; W78-L149 HydrophobicContact CZ2-CB 3.5Å; W78-L149 VanDerWaalsContact CZ2-CB 3.5Å; W78-L149 HydrophobicContact CZ2-CD2 3.66Å; W78-L149 HydrophobicContact CZ2-CG 4.07Å; W78-L149 HydrophobicContact CZ3-CB 4.21Å; W78-L149 PolarHBondContact N-O 3.04Å; W78-L149 PolarHBondContact O-N 3.33Å; I80-L149 HydrophobicContact CG1-CD1 4.23Å; F93-L149 HydrophobicContact CB-CD1 4.09Å; F93-L149 HydrophobicContact CB-CD2 4.21Å; I147-L149 HydrophobicContact CG2-CD1 3.95Å; L149-L158 HydrophobicContact CB-CD1 4.43Å; L149-S159 WeakPolarHBondContact CA-O 3.3Å; L149-Y160 HydrophobicContact CD1-CE1 4.47Å; L149-Y160 HydrophobicContact CD2-CD1 4.17Å; L149-Y160 HydrophobicContact CD2-CE1 3.43Å; L149-Y160 VanDerWaalsContact CD2-CE1 3.43Å; L149-Y160 HydrophobicContact CG-CD1 3.86Å; L149-Y160 HydrophobicContact CG-CE1 3.66Å
150	L	98.1	Very high	96.3	Very high	16 Å²	16	36.4 Å²	36.4	8%	0.084	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	107.9	176.4	171.9	61.1	0	0	0	109	P21 F22 Q75 Y76 Y77 L158 S159 Y161	P21-L150 HydrophobicContact CB-CD2 4.43Å; P21-L150 HydrophobicContact CG-CD1 4.45Å; F22-L150 HydrophobicContact CE1-CD1 3.74Å; F22-L150 HydrophobicContact CE2-CD1 4.29Å; F22-L150 HydrophobicContact CZ-CD1 3.28Å; Q75-L150 HydrophobicContact CB-CD1 4.21Å; Y76-L150 WeakPolarHBondContact O-CA 3.44Å; Y77-L150 HydrophobicContact CD2-CB 4.16Å; L150-L158 WeakPolarHBondContact O-CA 3.24Å; L150-S159 PolarHBondContact N-O 2.71Å; L150-S159 PolarHBondContact O-N 2.87Å; L150-Y161 HydrophobicContact CB-CE2 3.84Å; L150-Y161 HydrophobicContact CD2-CE2 4.27Å
151	Y	98.2	Very high	96.5	Very high	4 Å²	4	33.7 Å²	33.7	2%	0.016	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	121.3	170.2	175.2	-114.1	0	0	0	110	L70 P71 Q75 Y76 I95 T157 L174 L181	L70-Y151 HydrophobicContact CB-CD1 3.69Å; L70-Y151 HydrophobicContact CB-CE1 3.71Å; L70-Y151 HydrophobicContact CD1-CD1 3.82Å; L70-Y151 HydrophobicContact CD1-CE1 4.42Å; L70-Y151 HydrophobicContact CD1-CG 3.93Å; L70-Y151 HydrophobicContact CG-CD1 4.22Å; P71-Y151 WeakPolarHBondContact O-CE1 3.17Å; Q75-Y151 CarbonylContact C-O 3.5Å; Q75-Y151 VanDerWaalsContact CA-O 3.31Å; Q75-Y151 WeakPolarHBondContact CA-O 3.21Å; Y76-Y151 HydrophobicContact CD2-CD1 4.03Å; Y76-Y151 PolarHBondContact N-O 2.81Å; Y76-Y151 PolarHBondContact O-N 2.65Å; I95-Y151 HydrophobicContact CD1-CD2 4.33Å; Y151-T157 WeakPolarHBondContact CA-O 2.95Å; Y151-L174 HydrophobicContact CD2-CD1 4.26Å; Y151-L174 HydrophobicContact CE2-CB 4.24Å; Y151-L174 HydrophobicContact CE2-CD1 4.15Å; Y151-L181 HydrophobicContact CE2-CD1 4.22Å
152	N	96.6	Very high	96.7	Very high	16 Å²	16	30.4 Å²	30.4	9%	0.086	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	100	171.1	-173.8	-31.8	0	0	0	108.7	Q75 S154 L155 G156 T157	Q75-N152 HydrophobicContact CG-CB 4.17Å; N152-S154 VanDerWaalsContact C-N 3.29Å; N152-S154 PolarHBondContact O-N 3.33Å; N152-S154 PolarHBondContact OD1-N 3.44Å; N152-L155 HydrophobicContact CB-CB 4.33Å; N152-L155 WeakPolarHBondContact ND2-CD1 3.36Å; N152-L155 PolarHBondContact O-N 3.49Å; N152-L155 PolarHBondContact OD1-N 3.18Å; N152-G156 WeakPolarHBondContact O-CA 3.35Å; N152-G156 PolarHBondContact O-N 2.95Å; N152-T157 PolarHBondContact N-O 2.98Å; N152-T157 PolarHBondContact O-N 3.5Å; N152-T157 VanDerWaalsContact O-N 3.13Å
153	G	95.5	Very high	96.8	Very high	3 Å²	3	26.3 Å²	26.3	3%	0.031	15%	0.152	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.7	-34.8	-178.1	0	0	0	0	0	112.7	K72 G74 G156	K72-G153 CarbonylContact O-C 3.58Å; K72-G153 WeakPolarHBondContact O-CA 3.34Å; K72-G153 VanDerWaalsContact O-O 3.08Å; G74-G153 PolarHBondContact O-N 2.8Å; G153-G156 PolarHBondContact O-N 3.07Å
154	S	92.3	Very high	96.8	Very high	75 Å²	75	24.6 Å²	24.6	52%	0.524	15%	0.146	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.9	-36.8	-179.6	-57.8	0	0	0	0	112.9	K72 G74 N152	K72-S154 PolarHBondContact O-N 2.91Å; G74-S154 PolarHBondContact N-OG 3.28Å; N152-S154 VanDerWaalsContact C-N 3.29Å; N152-S154 PolarHBondContact O-N 3.33Å; N152-S154 PolarHBondContact OD1-N 3.44Å
155	L	96	Very high	96.9	Very high	117 Å²	117	29.9 Å²	29.9	61%	0.613	16%	0.157	S	C	*	.	T	Hydrogen-bonded Turn	trans	-92.2	-12.8	176.5	-63.5	-177.4	0	0	0	113.2	N152 T157	N152-L155 HydrophobicContact CB-CB 4.33Å; N152-L155 WeakPolarHBondContact ND2-CD1 3.36Å; N152-L155 PolarHBondContact O-N 3.49Å; N152-L155 PolarHBondContact OD1-N 3.18Å; L155-T157 HydrophobicContact CB-CG2 4.13Å
156	G	97.8	Very high	96.9	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	trans	66.4	36.3	-174.5	0	0	0	0	0	113.1	N152 G153 D172 A173 L174	N152-G156 WeakPolarHBondContact O-CA 3.35Å; N152-G156 PolarHBondContact O-N 2.95Å; G153-G156 PolarHBondContact O-N 3.07Å; G156-D172 CarbonylContact O-C 3.49Å; G156-D172 VanDerWaalsContact O-C 3.24Å; G156-D172 WeakPolarHBondContact O-CA 3.32Å; G156-A173 PolarHBondContact O-N 2.65Å; G156-A173 VanDerWaalsContact O-N 3.16Å; G156-L174 WeakPolarHBondContact O-CB 3.27Å; G156-L174 PolarHBondContact O-N 2.83Å
157	T	98.5	Very high	97	Very high	25 Å²	25	34.7 Å²	34.7	15%	0.153	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	148.7	-177.9	61.7	0	0	0	0	113	Y151 N152 L155 V169 F171 D172	Y151-T157 WeakPolarHBondContact CA-O 2.95Å; N152-T157 PolarHBondContact N-O 2.98Å; N152-T157 PolarHBondContact O-N 3.5Å; N152-T157 VanDerWaalsContact O-N 3.13Å; L155-T157 HydrophobicContact CB-CG2 4.13Å; T157-V169 HydrophobicContact CG2-CG1 4.1Å; T157-F171 VanDerWaalsContact CA-O 3.3Å; T157-F171 WeakPolarHBondContact CA-O 3.48Å; T157-D172 HydrophobicContact CG2-CB 4.32Å
158	L	98.7	Very high	97	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	120.2	168.2	-175.1	67.9	0	0	0	109.2	W78 I95 L149 L150 Y160 A170 F171 L174	W78-L158 HydrophobicContact CH2-CD1 4.24Å; I95-L158 HydrophobicContact CD1-CD2 4.09Å; I95-L158 HydrophobicContact CG1-CD2 4.04Å; I95-L158 HydrophobicContact CG2-CD1 4.29Å; I95-L158 HydrophobicContact CG2-CD2 4.29Å; L149-L158 HydrophobicContact CB-CD1 4.43Å; L150-L158 WeakPolarHBondContact O-CA 3.24Å; L158-Y160 HydrophobicContact CD2-CE2 3.86Å; L158-Y160 WeakPolarHBondContact CD2-OH 3.34Å; L158-Y160 HydrophobicContact CG-CE2 3.96Å; L158-A170 PolarHBondContact O-N 2.96Å; L158-F171 HydrophobicContact CB-CB 4.35Å; L158-F171 HydrophobicContact CB-CD2 4.3Å; L158-F171 HydrophobicContact CD2-CD2 3.94Å; L158-F171 HydrophobicContact CD2-CE2 4.4Å; L158-F171 PolarHBondContact N-O 2.79Å; L158-F171 PolarHBondContact O-N 2.84Å; L158-L174 HydrophobicContact CB-CD1 3.67Å
159	S	98.5	Very high	97	Very high	13 Å²	13	39.9 Å²	39.9	9%	0.091	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	152.8	177.2	-57.4	0	0	0	0	111.1	L149 L150 G168 V169	L149-S159 WeakPolarHBondContact CA-O 3.3Å; L150-S159 PolarHBondContact N-O 2.71Å; L150-S159 PolarHBondContact O-N 2.87Å; S159-G168 WeakPolarHBondContact CA-O 3.43Å; S159-G168 VanDerWaalsContact CB-O 3.29Å; S159-G168 WeakPolarHBondContact CB-O 3.17Å; S159-V169 WeakPolarHBondContact OG-CG2 3.36Å
160	Y	98.6	Very high	97	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	153.1	179.4	-70.8	-98.3	0	0	0	112.4	F93 G94 L120 L126 F135 I147 G148 L149 L158 L167 G168 A170 F171	F93-Y160 HydrophobicContact CB-CE1 4.23Å; F93-Y160 WeakPolarHBondContact O-CE1 3.33Å; F93-Y160 PolarHBondContact O-OH 3Å; G94-Y160 WeakPolarHBondContact CA-OH 3.3Å; L120-Y160 HydrophobicContact CB-CD1 3.99Å; L120-Y160 HydrophobicContact CB-CE1 3.49Å; L120-Y160 VanDerWaalsContact CB-CE1 3.49Å; L120-Y160 HydrophobicContact CB-CE2 4.12Å; L120-Y160 HydrophobicContact CB-CG 4.46Å; L120-Y160 HydrophobicContact CD2-CD1 3.5Å; L120-Y160 HydrophobicContact CD2-CD2 4.38Å; L120-Y160 HydrophobicContact CD2-CE1 3.93Å; L120-Y160 HydrophobicContact CD2-CG 3.74Å; L120-Y160 HydrophobicContact CG-CD1 4.4Å; L120-Y160 HydrophobicContact CG-CE1 4.36Å; L120-Y160 PolarHBondContact N-OH 3.31Å; L126-Y160 HydrophobicContact CD2-CE2 4.36Å; F135-Y160 HydrophobicContact CE1-CD2 4.45Å; I147-Y160 HydrophobicContact CG2-CD1 4.01Å; G148-Y160 CarbonylContact O-C 3.59Å; G148-Y160 WeakPolarHBondContact O-CA 3.13Å; L149-Y160 HydrophobicContact CD1-CE1 4.47Å; L149-Y160 HydrophobicContact CD2-CD1 4.17Å; L149-Y160 HydrophobicContact CD2-CE1 3.43Å; L149-Y160 VanDerWaalsContact CD2-CE1 3.43Å; L149-Y160 HydrophobicContact CG-CD1 3.86Å; L149-Y160 HydrophobicContact CG-CE1 3.66Å; L158-Y160 HydrophobicContact CD2-CE2 3.86Å; L158-Y160 WeakPolarHBondContact CD2-OH 3.34Å; L158-Y160 HydrophobicContact CG-CE2 3.96Å; Y160-L167 WeakPolarHBondContact O-CB 3.45Å; Y160-L167 PolarHBondContact O-N 2.89Å; Y160-G168 PolarHBondContact N-O 2.8Å; Y160-G168 VanDerWaalsContact N-O 3.15Å; Y160-A170 HydrophobicContact CD2-CB 3.47Å; Y160-A170 VanDerWaalsContact CD2-CB 3.47Å; Y160-A170 HydrophobicContact CE2-CB 3.54Å; Y160-F171 HydrophobicContact CE2-CD2 4.38Å; Y160-F171 HydrophobicContact CE2-CE2 4.19Å
161	Y	98	Very high	97	Very high	28 Å²	28	40.5 Å²	40.5	11%	0.11	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	142.8	172.8	-61.1	-102.7	0	0	0	108.5	F19 Y77 I147 G148 L150 R165 P166	F19-Y161 HydrophobicContact CD1-CD1 4.06Å; F19-Y161 HydrophobicContact CD1-CE1 4.36Å; F19-Y161 AromaticContact CE1-CD1 3.28Å; F19-Y161 HydrophobicContact CE1-CD1 3.28Å; F19-Y161 AromaticContact CE1-CE1 3.21Å; F19-Y161 HydrophobicContact CE1-CE1 3.21Å; F19-Y161 HydrophobicContact CE1-CG 4.14Å; F19-Y161 AromaticContact CE1-CZ 3.99Å; F19-Y161 AromaticContact CZ-CD1 3.84Å; F19-Y161 HydrophobicContact CZ-CD1 3.84Å; F19-Y161 AromaticContact CZ-CE1 3.44Å; F19-Y161 HydrophobicContact CZ-CE1 3.44Å; F19-Y161 VanDerWaalsContact CZ-CE1 3.44Å; Y77-Y161 AromaticContact CE2-CD2 3.81Å; Y77-Y161 HydrophobicContact CE2-CD2 3.81Å; Y77-Y161 HydrophobicContact CE2-CE2 4.17Å; Y77-Y161 HydrophobicContact CE2-CG 4.36Å; I147-Y161 WeakPolarHBondContact CA-O 3.34Å; G148-Y161 PolarHBondContact N-O 3.3Å; G148-Y161 PolarHBondContact O-N 3.13Å; L150-Y161 HydrophobicContact CB-CE2 3.84Å; L150-Y161 HydrophobicContact CD2-CE2 4.27Å; Y161-R165 CarbonylContact C-O 3.6Å; Y161-R165 WeakPolarHBondContact CA-O 3.38Å; Y161-P166 VanDerWaalsContact CD1-CA 3.43Å; Y161-P166 HydrophobicContact CD1-CB 3.87Å; Y161-P166 HydrophobicContact CE1-CB 3.6Å; Y161-P166 HydrophobicContact CE1-CG 4.46Å
162	K	96.7	Very high	97	Very high	39 Å²	39	45.9 Å²	45.9	17%	0.17	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	119.6	172.4	-178.9	-178.5	-177.7	-62.5	0	108.9	F139 T145 I147 G164 R165 L167	F139-K162 HydrophobicContact CD1-CD 3.75Å; F139-K162 HydrophobicContact CE1-CD 3.97Å; F139-K162 HydrophobicContact CG-CD 4.43Å; T145-K162 HydrophobicContact CG2-CD 4.45Å; T145-K162 HydrophobicContact CG2-CG 3.99Å; I147-K162 HydrophobicContact CD1-CB 4.2Å; I147-K162 HydrophobicContact CD1-CG 4.03Å; K162-G164 PolarHBondContact O-N 2.8Å; K162-R165 PolarHBondContact N-O 2.91Å; K162-R165 WeakPolarHBondContact O-CB 3.16Å; K162-R165 PolarHBondContact O-N 2.64Å; K162-L167 HydrophobicContact CB-CD1 4.09Å; K162-L167 HydrophobicContact CB-CD2 4.21Å; K162-L167 HydrophobicContact CB-CG 4.29Å
163	D	94.9	Very high	97	Very high	56 Å²	56	47.6 Å²	47.6	30%	0.299	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	51.5	44.6	-179.1	-49.5	-47.1	0	0	0	111.7	T146 R165	T146-D163 PolarHBondContact N-OD1 3.36Å; T146-D163 PolarHBondContact O-N 2.99Å; D163-R165 PolarHBondContact O-N 3.16Å
164	G	93.6	Very high	97.1	Very high	23 Å²	23	47.6 Å²	47.6	24%	0.237	27%	0.272	C	S	.	.	T	Hydrogen-bonded Turn	trans	76.8	-6.3	-177.3	0	0	0	0	0	115.7	K162	K162-G164 PolarHBondContact O-N 2.8Å
165	R	95.7	Very high	97.3	Very high	175 Å²	175	48.3 Å²	48.3	66%	0.66	27%	0.27	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-89	128.2	179	-60.9	-178.6	179.5	177.9	0	111.1	Y161 K162 D163 L167	Y161-R165 CarbonylContact C-O 3.6Å; Y161-R165 WeakPolarHBondContact CA-O 3.38Å; K162-R165 PolarHBondContact N-O 2.91Å; K162-R165 WeakPolarHBondContact O-CB 3.16Å; K162-R165 PolarHBondContact O-N 2.64Å; D163-R165 PolarHBondContact O-N 3.16Å; R165-L167 PolarHBondContact O-N 3.04Å
166	P	96.9	Very high	97.3	Very high	90 Å²	90	46.9 Å²	46.9	58%	0.584	27%	0.27	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-64.6	132.5	175.3	25.5	-32.3	0	0	0	111.1	Y161	Y161-P166 VanDerWaalsContact CD1-CA 3.43Å; Y161-P166 HydrophobicContact CD1-CB 3.87Å; Y161-P166 HydrophobicContact CE1-CB 3.6Å; Y161-P166 HydrophobicContact CE1-CG 4.46Å
167	L	98	Very high	97.3	Very high	47 Å²	47	47.9 Å²	47.9	25%	0.246	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	-22.6	170.3	-58.8	-179.3	0	0	0	112	L120 F135 T136 Y160 K162 R165	L120-L167 HydrophobicContact CD2-CD1 4.27Å; F135-L167 HydrophobicContact CE1-CB 3.57Å; F135-L167 HydrophobicContact CE1-CD1 4.16Å; F135-L167 HydrophobicContact CZ-CB 3.86Å; T136-L167 HydrophobicContact CG2-CD1 3.9Å; Y160-L167 WeakPolarHBondContact O-CB 3.45Å; Y160-L167 PolarHBondContact O-N 2.89Å; K162-L167 HydrophobicContact CB-CD1 4.09Å; K162-L167 HydrophobicContact CB-CD2 4.21Å; K162-L167 HydrophobicContact CB-CG 4.29Å; R165-L167 PolarHBondContact O-N 3.04Å
168	G	97.3	Very high	97.1	Very high	31 Å²	31	53.1 Å²	53.1	32%	0.32	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	112.6	-173.9	178.8	0	0	0	0	0	113.3	S159 Y160 A170	S159-G168 WeakPolarHBondContact CA-O 3.43Å; S159-G168 VanDerWaalsContact CB-O 3.29Å; S159-G168 WeakPolarHBondContact CB-O 3.17Å; Y160-G168 PolarHBondContact N-O 2.8Å; Y160-G168 VanDerWaalsContact N-O 3.15Å; G168-A170 PolarHBondContact O-N 3.33Å
169	V	98.3	Very high	97.1	Very high	79 Å²	79	56 Å²	56	48%	0.479	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	120.3	175.2	179.7	0	0	0	0	108.5	T157 S159 F171	T157-V169 HydrophobicContact CG2-CG1 4.1Å; S159-V169 WeakPolarHBondContact OG-CG2 3.36Å; V169-F171 WeakPolarHBondContact CG1-O 3.29Å
170	A	98.6	Very high	97.1	Very high	6 Å²	6	58.3 Å²	58.3	5%	0.05	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	-40.8	179	0	0	0	0	0	112.3	L126 F135 L158 Y160 G168	L126-A170 HydrophobicContact CD1-CB 3.63Å; L126-A170 WeakPolarHBondContact CD1-O 3.38Å; L126-A170 HydrophobicContact CD2-CB 3.53Å; L126-A170 HydrophobicContact CG-CB 4.22Å; F135-A170 HydrophobicContact CE1-CB 4.22Å; F135-A170 HydrophobicContact CE2-CB 4.18Å; F135-A170 HydrophobicContact CZ-CB 3.96Å; L158-A170 PolarHBondContact O-N 2.96Å; Y160-A170 HydrophobicContact CD2-CB 3.47Å; Y160-A170 VanDerWaalsContact CD2-CB 3.47Å; Y160-A170 HydrophobicContact CE2-CB 3.54Å; G168-A170 PolarHBondContact O-N 3.33Å
171	F	98.6	Very high	97.1	Very high	23 Å²	23	58.6 Å²	58.6	10%	0.101	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	147.5	-179.6	-54	-79.9	0	0	0	110.4	W118 L126 H128 T157 L158 Y160 V169 L174	W118-F171 HydrophobicContact CB-CD1 4.22Å; W118-F171 HydrophobicContact CB-CD2 3.9Å; W118-F171 HydrophobicContact CB-CE1 4.13Å; W118-F171 HydrophobicContact CB-CE2 3.8Å; W118-F171 HydrophobicContact CB-CG 4.08Å; W118-F171 HydrophobicContact CB-CZ 3.91Å; W118-F171 AromaticContact CD1-CD1 3.5Å; W118-F171 VanDerWaalsContact CD1-CD1 3.5Å; W118-F171 AromaticContact CD1-CE1 3.85Å; W118-F171 AromaticContact CD1-CG 3.85Å; W118-F171 HydrophobicContact CG-CD1 4.24Å; W118-F171 HydrophobicContact CG-CE1 4.42Å; W118-F171 HydrophobicContact CG-CG 4.3Å; L126-F171 HydrophobicContact CB-CE1 4.16Å; L126-F171 HydrophobicContact CB-CZ 3.82Å; L126-F171 HydrophobicContact CD2-CE2 3.85Å; L126-F171 HydrophobicContact CD2-CZ 3.91Å; L126-F171 HydrophobicContact CG-CZ 4.28Å; H128-F171 HydrophobicContact CB-CE1 4.03Å; T157-F171 VanDerWaalsContact CA-O 3.3Å; T157-F171 WeakPolarHBondContact CA-O 3.48Å; L158-F171 HydrophobicContact CB-CB 4.35Å; L158-F171 HydrophobicContact CB-CD2 4.3Å; L158-F171 HydrophobicContact CD2-CD2 3.94Å; L158-F171 HydrophobicContact CD2-CE2 4.4Å; L158-F171 PolarHBondContact N-O 2.79Å; L158-F171 PolarHBondContact O-N 2.84Å; Y160-F171 HydrophobicContact CE2-CD2 4.38Å; Y160-F171 HydrophobicContact CE2-CE2 4.19Å; V169-F171 WeakPolarHBondContact CG1-O 3.29Å; F171-L174 HydrophobicContact CB-CD1 4.33Å
172	D	97.7	Very high	97.1	Very high	118 Å²	118	59.6 Å²	59.6	63%	0.631	34%	0.336	S	S	*	.			trans	-129.6	-177.7	175.5	57.3	19.2	0	0	0	110.3	G156 T157 L174	G156-D172 CarbonylContact O-C 3.49Å; G156-D172 VanDerWaalsContact O-C 3.24Å; G156-D172 WeakPolarHBondContact O-CA 3.32Å; T157-D172 HydrophobicContact CG2-CB 4.32Å; D172-L174 PolarHBondContact O-N 2.9Å
173	A	97.3	Very high	97.2	Very high	51 Å²	51	57.8 Å²	57.8	42%	0.421	33%	0.329	S	S	.	.			trans	56.7	16.9	-179	0	0	0	0	0	115.3	G156 N175 S176	G156-A173 PolarHBondContact O-N 2.65Å; G156-A173 VanDerWaalsContact O-N 3.16Å; A173-N175 WeakPolarHBondContact CA-OD1 3.44Å; A173-N175 PolarHBondContact O-N 2.86Å; A173-S176 WeakPolarHBondContact O-CB 3.22Å; A173-S176 PolarHBondContact O-N 2.84Å; A173-S176 PolarHBondContact O-OG 3.35Å
174	L	98.1	Very high	97.4	Very high	3 Å²	3	55.2 Å²	55.2	2%	0.016	32%	0.315	C	S	.	.	G	3₁₀ helix	trans	-66.5	-19	178.8	-63.7	168.4	0	0	0	112.8	I95 W118 Y151 G156 L158 F171 D172 S176 V177 L181	I95-L174 HydrophobicContact CD1-CD1 3.67Å; I95-L174 HydrophobicContact CD1-CD2 4.16Å; I95-L174 HydrophobicContact CD1-CG 4.49Å; W118-L174 HydrophobicContact CD2-CD2 3.68Å; W118-L174 HydrophobicContact CE3-CD2 4.16Å; W118-L174 HydrophobicContact CG-CD2 3.98Å; W118-L174 HydrophobicContact CZ2-CD2 4.14Å; Y151-L174 HydrophobicContact CD2-CD1 4.26Å; Y151-L174 HydrophobicContact CE2-CB 4.24Å; Y151-L174 HydrophobicContact CE2-CD1 4.15Å; G156-L174 WeakPolarHBondContact O-CB 3.27Å; G156-L174 PolarHBondContact O-N 2.83Å; L158-L174 HydrophobicContact CB-CD1 3.67Å; F171-L174 HydrophobicContact CB-CD1 4.33Å; D172-L174 PolarHBondContact O-N 2.9Å; L174-S176 PolarHBondContact O-N 3.46Å; L174-V177 WeakPolarHBondContact O-CB 3.3Å; L174-V177 PolarHBondContact O-N 3.49Å; L174-L181 HydrophobicContact CB-CD1 4.22Å
175	N	95.4	Very high	97.6	Very high	91 Å²	91	54.1 Å²	54.1	49%	0.487	30%	0.304	S	S	.	.	G	3₁₀ helix	trans	-69.1	-18.2	171.9	61.7	-28.1	0	0	0	113.2	A173 V177	A173-N175 WeakPolarHBondContact CA-OD1 3.44Å; A173-N175 PolarHBondContact O-N 2.86Å; N175-V177 VanDerWaalsContact C-N 3.27Å
176	S	96.5	Very high	97.7	Very high	87 Å²	87	45.8 Å²	45.8	61%	0.608	27%	0.272	S	S	*	.	G	3₁₀ helix	trans	-79	-9.5	172.2	72.4	0	0	0	0	113.4	A173 L174 D178	A173-S176 WeakPolarHBondContact O-CB 3.22Å; A173-S176 PolarHBondContact O-N 2.84Å; A173-S176 PolarHBondContact O-OG 3.35Å; L174-S176 PolarHBondContact O-N 3.46Å; S176-D178 PolarHBondContact O-N 2.8Å
177	V	97.1	Very high	97.6	Very high	20 Å²	20	41.5 Å²	41.5	12%	0.121	24%	0.244	C	C	.	.			trans	-77.4	120.2	174.7	-175.4	0	0	0	0	108.9	K72 T97 W118 L174 N175 E179 L181	K72-V177 PolarHBondContact NZ-O 2.78Å; T97-V177 HydrophobicContact CG2-CG1 4.11Å; W118-V177 HydrophobicContact CH2-CG1 4.27Å; W118-V177 HydrophobicContact CH2-CG2 3.62Å; W118-V177 HydrophobicContact CZ2-CG2 3.84Å; L174-V177 WeakPolarHBondContact O-CB 3.3Å; L174-V177 PolarHBondContact O-N 3.49Å; N175-V177 VanDerWaalsContact C-N 3.27Å; V177-E179 HydrophobicContact CG1-CB 4.42Å; V177-L181 HydrophobicContact CG1-CD2 4.25Å
178	D	95.5	Very high	97.5	Very high	135 Å²	135	39.6 Å²	39.6	72%	0.722	23%	0.234	S	C	*	.			trans	-73.5	-43	180	-77.1	-35.1	0	0	0	111.3	K72 S176	K72-D178 PolarHBondContact NZ-O 3.3Å; S176-D178 PolarHBondContact O-N 2.8Å
179	E	97.6	Very high	97.2	Very high	60 Å²	60	38.5 Å²	38.5	28%	0.28	22%	0.223	S	C	.	.	S	Bend	trans	-63.9	146.5	-179.8	-67.7	91	159.9	0	0	113.3	T97 K99 V177 L181	T97-E179 HydrophobicContact CG2-CB 3.69Å; K99-E179 IonicContact NZ-OE1 2.78Å; K99-E179 PolarHBondContact NZ-OE1 3.21Å; V177-E179 HydrophobicContact CG1-CB 4.42Å; E179-L181 PolarHBondContact O-N 2.85Å
180	P	98	Very high	96.8	Very high	63 Å²	63	36.4 Å²	36.4	41%	0.409	21%	0.213	S	C	.	.	P	Polyproline II helix	trans	-61.5	134.9	172.9	-20.1	31.7	0	0	0	112.1	P69 T97 Y182	P69-P180 HydrophobicContact CB-CB 3.51Å; P69-P180 HydrophobicContact CG-CB 4.11Å; T97-P180 WeakPolarHBondContact CA-O 3.39Å; P180-Y182 HydrophobicContact CB-CE2 3.98Å; P180-Y182 WeakPolarHBondContact O-CD2 3.37Å; P180-Y182 WeakPolarHBondContact O-CE2 3.49Å
181	L	98.6	Very high	96.4	Very high	6 Å²	6	42.8 Å²	42.8	3%	0.031	24%	0.236	C	C	.	.	B	Isolated β-bridge	trans	-98.1	137.2	179.1	-68.1	167.3	0	0	0	110.7	P69 L70 I95 T97 W118 Y151 L174 V177 E179	P69-L181 CarbonylContact C-O 3.57Å; P69-L181 VanDerWaalsContact CA-O 3.24Å; P69-L181 WeakPolarHBondContact CA-O 3.11Å; L70-L181 PolarHBondContact N-O 3.01Å; I95-L181 HydrophobicContact CD1-CD1 4.05Å; I95-L181 HydrophobicContact CD1-CD2 4.42Å; T97-L181 HydrophobicContact CG2-CD2 4.03Å; W118-L181 HydrophobicContact CE3-CD2 4.11Å; W118-L181 HydrophobicContact CH2-CD2 4.35Å; W118-L181 HydrophobicContact CZ3-CD2 3.55Å; Y151-L181 HydrophobicContact CE2-CD1 4.22Å; L174-L181 HydrophobicContact CB-CD1 4.22Å; V177-L181 HydrophobicContact CG1-CD2 4.25Å; E179-L181 PolarHBondContact O-N 2.85Å
182	Y	98.6	Very high	96.2	Very high	49 Å²	49	41.7 Å²	41.7	19%	0.192	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	143.6	-178.8	-63.8	-100.9	0	0	0	109.6	G66 R68 P69 I95 G96 P180	G66-Y182 WeakPolarHBondContact O-CD1 3.09Å; R68-Y182 VanDerWaalsContact C-CD1 3.42Å; R68-Y182 VanDerWaalsContact C-CE1 3.43Å; R68-Y182 WeakPolarHBondContact O-CD1 2.98Å; P69-Y182 HydrophobicContact CB-CD1 4.44Å; P69-Y182 HydrophobicContact CB-CE1 4.05Å; P69-Y182 HydrophobicContact CB-CE2 4.19Å; P69-Y182 HydrophobicContact CG-CE1 4.38Å; P69-Y182 VanDerWaalsContact N-CE1 3.32Å; I95-Y182 CarbonylContact C-O 3.24Å; I95-Y182 WeakPolarHBondContact CA-O 3.24Å; I95-Y182 WeakPolarHBondContact CB-O 3.4Å; G96-Y182 PolarHBondContact N-O 3.29Å; G96-Y182 PolarHBondContact O-N 3.3Å; P180-Y182 HydrophobicContact CB-CE2 3.98Å; P180-Y182 WeakPolarHBondContact O-CD2 3.37Å; P180-Y182 WeakPolarHBondContact O-CE2 3.49Å
183	P	98.6	Very high	96	Very high	1 Å²	1	39.9 Å²	39.9	1%	0.006	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.1	141.5	166.6	-20.1	34.2	0	0	0	110.2	W30 W32 R65 G66 L70 W78	W30-P183 HydrophobicContact CD2-CG 4.32Å; W30-P183 HydrophobicContact CE3-CG 4.19Å; W30-P183 HydrophobicContact CH2-CB 3.38Å; W30-P183 HydrophobicContact CH2-CG 3.57Å; W30-P183 HydrophobicContact CZ2-CB 3.88Å; W30-P183 HydrophobicContact CZ2-CG 3.65Å; W30-P183 HydrophobicContact CZ3-CB 3.81Å; W30-P183 HydrophobicContact CZ3-CG 3.85Å; W32-P183 HydrophobicContact CZ3-CB 4.39Å; R65-P183 CarbonylContact C-O 3.58Å; R65-P183 VanDerWaalsContact CA-O 3.27Å; R65-P183 WeakPolarHBondContact CA-O 3.1Å; G66-P183 PolarHBondContact N-O 3.4Å; L70-P183 HydrophobicContact CD1-CG 4.18Å; L70-P183 HydrophobicContact CD2-CG 3.94Å; L70-P183 HydrophobicContact CG-CG 4.01Å; W78-P183 HydrophobicContact CZ2-CB 3.9Å; W78-P183 HydrophobicContact CZ2-CG 4.37Å
184	M	98.7	Very high	96	Very high	1 Å²	1	37.5 Å²	37.5	1%	0.005	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	142.9	-178.9	-71.8	-176.4	71.6	0	0	111.7	A63 I64 R65 G94 G96 A100 L102 I111	A63-M184 HydrophobicContact CB-CE 4.08Å; I64-M184 WeakPolarHBondContact O-CA 3.32Å; R65-M184 HydrophobicContact CG-CE 4.29Å; R65-M184 HydrophobicContact CG-CG 3.62Å; R65-M184 HydrophobicContact CG-SD 4.04Å; G94-M184 PolarHBondContact N-O 3.42Å; G94-M184 PolarHBondContact O-N 3.31Å; G94-M184 VanDerWaalsContact O-O 3.14Å; G96-M184 VanDerWaalsContact CA-SD 3.52Å; G96-M184 PolarHBondContact N-SD 3.5Å; A100-M184 HydrophobicContact CB-CE 4.09Å; A100-M184 HydrophobicContact CB-SD 4.08Å; L102-M184 HydrophobicContact CD2-CE 3.7Å; I111-M184 HydrophobicContact CD1-CB 3.77Å; I111-M184 HydrophobicContact CG1-CE 4.49Å
185	I	98.4	Very high	96	Very high	1 Å²	1	39.1 Å²	39.1	1%	0.005	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	149	166.3	52	167.5	0	0	0	109.7	W32 V51 F53 A63 I64 I80 M92 F93 M194	W32-I185 HydrophobicContact CE3-CG1 4.46Å; W32-I185 HydrophobicContact CH2-CB 4.4Å; W32-I185 HydrophobicContact CH2-CD1 3.91Å; W32-I185 HydrophobicContact CH2-CG1 3.67Å; W32-I185 HydrophobicContact CH2-CG2 3.96Å; W32-I185 HydrophobicContact CZ2-CD1 3.63Å; W32-I185 HydrophobicContact CZ2-CG1 3.95Å; W32-I185 HydrophobicContact CZ2-CG2 4.44Å; W32-I185 HydrophobicContact CZ3-CD1 4.46Å; W32-I185 HydrophobicContact CZ3-CG1 3.94Å; V51-I185 HydrophobicContact CB-CD1 4.32Å; V51-I185 HydrophobicContact CG2-CD1 4.05Å; F53-I185 HydrophobicContact CE2-CD1 4.07Å; F53-I185 HydrophobicContact CZ-CD1 3.88Å; F53-I185 HydrophobicContact CZ-CG1 3.96Å; A63-I185 WeakPolarHBondContact CA-O 3.41Å; A63-I185 WeakPolarHBondContact CB-O 3.44Å; I64-I185 HydrophobicContact CG2-CD1 4.03Å; I64-I185 HydrophobicContact CG2-CG1 3.54Å; I64-I185 PolarHBondContact N-O 3.18Å; I64-I185 PolarHBondContact O-N 3.03Å; I80-I185 HydrophobicContact CD1-CG2 4.15Å; I80-I185 HydrophobicContact CG1-CG2 3.95Å; I80-I185 HydrophobicContact CG2-CG2 4.28Å; M92-I185 VanDerWaalsContact O-CA 3.3Å; M92-I185 WeakPolarHBondContact O-CA 3.4Å; F93-I185 HydrophobicContact CD1-CG2 3.97Å; I185-M194 HydrophobicContact CB-SD 4.07Å; I185-M194 HydrophobicContact CD1-CB 3.88Å; I185-M194 HydrophobicContact CD1-SD 4Å; I185-M194 HydrophobicContact CG2-SD 4.44Å
186	S	97.2	Very high	96.1	Very high	0 Å²	0	35 Å²	35	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	154.5	178.7	75.2	0	0	0	0	112.9	V62 L91 M92	V62-S186 CarbonylContact O-C 3.47Å; V62-S186 WeakPolarHBondContact O-CA 3.38Å; V62-S186 VanDerWaalsContact O-CB 3.27Å; V62-S186 WeakPolarHBondContact O-CB 3.29Å; L91-S186 WeakPolarHBondContact CA-O 3.31Å; M92-S186 WeakPolarHBondContact CB-OG 3.37Å; M92-S186 PolarHBondContact N-O 2.88Å; M92-S186 PolarHBondContact O-N 3.26Å
187	S	96.3	Very high	95.9	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.9	141.7	176	179.8	0	0	0	0	111.7	V62 L91 A189 T192	V62-S187 PolarHBondContact N-O 3.26Å; V62-S187 PolarHBondContact O-N 3.42Å; L91-S187 VanDerWaalsContact CD2-OG 3.32Å; L91-S187 WeakPolarHBondContact CD2-OG 3.45Å; S187-A189 PolarHBondContact OG-N 3.42Å; S187-A189 PolarHBondContact OG-O 3.44Å; S187-T192 WeakPolarHBondContact OG-CB 3.29Å; S187-T192 PolarHBondContact OG-OG1 3.22Å
188	T	94.7	Very high	95.7	Very high	6 Å²	6	34 Å²	34	4%	0.037	17%	0.173	C	C	.	.			trans	-93	-21	163	56	0	0	0	0	112.8	S58 T61 S90 F107	S58-T188 VanDerWaalsContact CB-O 3.24Å; S58-T188 WeakPolarHBondContact CB-O 3.44Å; S58-T188 PolarHBondContact OG-O 3.32Å; T61-T188 HydrophobicContact CG2-CG2 3.8Å; T61-T188 VanDerWaalsContact OG1-CG2 3.22Å; T61-T188 WeakPolarHBondContact OG1-CG2 3.38Å; S90-T188 PolarHBondContact N-OG1 3.2Å; S90-T188 PolarHBondContact O-N 3.23Å; S90-T188 PolarHBondContact O-OG1 2.99Å; S90-T188 VanDerWaalsContact O-OG1 3.11Å; F107-T188 HydrophobicContact CB-CG2 3.99Å; F107-T188 HydrophobicContact CD1-CG2 4.25Å
189	A	91.1	Very high	95.6	Very high	9 Å²	9	27.8 Å²	27.8	7%	0.074	14%	0.14	C	C	.	.	S	Bend	trans	-81.9	137.6	-170.5	0	0	0	0	0	111.5	F87 S187 T192	F87-A189 HydrophobicContact CE2-CB 4.47Å; S187-A189 PolarHBondContact OG-N 3.42Å; S187-A189 PolarHBondContact OG-O 3.44Å; A189-T192 WeakPolarHBondContact CB-OG1 3.47Å; A189-T192 PolarHBondContact O-OG1 3Å
190	A	90.5	Very high	95.4	Very high	34 Å²	34	26.6 Å²	26.6	28%	0.281	13%	0.134	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67	140.6	175	0	0	0	0	0	111.2	H54 T192	H54-A190 HydrophobicContact CB-CB 4.32Å; A190-T192 PolarHBondContact O-N 3.41Å
191	R	90.5	Very high	95.2	Very high	140 Å²	140	23.7 Å²	23.7	53%	0.528	12%	0.115	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.2	32.1	178.3	-55.1	178.7	177.8	174.9	1.7	113.5	F53 H54 S55 R85	F53-R191 WeakPolarHBondContact O-CA 3.36Å; F53-R191 PolarHBondContact O-N 2.84Å; H54-R191 PolarHBondContact O-N 2.86Å; S55-R191 WeakPolarHBondContact O-CG 3.49Å; S55-R191 PolarHBondContact O-NE 3.47Å; R85-R191 WeakPolarHBondContact CD-O 3.49Å; R85-R191 PolarHBondContact NE-O 2.83Å
192	T	93.1	Very high	94.9	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	128.1	172.6	-65.1	0	0	0	0	109.2	F53 L91 S187 A189 A190 M194	F53-T192 HydrophobicContact CD2-CG2 4.4Å; F53-T192 PolarHBondContact N-O 3.14Å; F53-T192 PolarHBondContact O-N 2.88Å; L91-T192 HydrophobicContact CD2-CG2 3.92Å; S187-T192 WeakPolarHBondContact OG-CB 3.29Å; S187-T192 PolarHBondContact OG-OG1 3.22Å; A189-T192 WeakPolarHBondContact CB-OG1 3.47Å; A189-T192 PolarHBondContact O-OG1 3Å; A190-T192 PolarHBondContact O-N 3.41Å; T192-M194 HydrophobicContact CG2-CE 3.96Å; T192-M194 HydrophobicContact CG2-CG 4.22Å
193	E	94.5	Very high	94.5	Very high	81 Å²	81	24.1 Å²	24.1	38%	0.379	12%	0.119	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	127.5	173.6	-67.6	177.6	-165.5	0	0	109.8	Y44 V51 L52 S83	Y44-E193 WeakPolarHBondContact OH-CG 3.26Å; Y44-E193 PolarHBondContact OH-OE1 2.71Å; Y44-E193 PolarHBondContact OH-OE2 3.44Å; V51-E193 WeakPolarHBondContact O-CA 3.37Å; L52-E193 HydrophobicContact CD1-CG 3.73Å; S83-E193 PolarHBondContact OG-O 2.89Å
194	M	97	Very high	93.8	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	131.4	171.4	-64.1	-173.9	-170.8	0	0	109.3	V51 F53 I80 D81 V82 L91 F93 I185 T192	V51-M194 PolarHBondContact N-O 3.34Å; V51-M194 PolarHBondContact O-N 3.23Å; F53-M194 HydrophobicContact CE2-CB 4.21Å; F53-M194 HydrophobicContact CE2-CE 4.31Å; F53-M194 HydrophobicContact CE2-CG 4Å; F53-M194 HydrophobicContact CE2-SD 3.81Å; F53-M194 HydrophobicContact CZ-SD 4.49Å; I80-M194 HydrophobicContact CG2-CB 3.9Å; I80-M194 HydrophobicContact CG2-CG 4.37Å; I80-M194 HydrophobicContact CG2-SD 4.28Å; D81-M194 WeakPolarHBondContact O-CA 3.44Å; V82-M194 HydrophobicContact CG2-CG 4.44Å; L91-M194 HydrophobicContact CB-CE 4.04Å; L91-M194 HydrophobicContact CD2-CE 3.6Å; L91-M194 HydrophobicContact CG-CE 4.31Å; F93-M194 HydrophobicContact CE1-CE 4.31Å; F93-M194 HydrophobicContact CE1-SD 3.95Å; F93-M194 HydrophobicContact CZ-CE 4.4Å; I185-M194 HydrophobicContact CB-SD 4.07Å; I185-M194 HydrophobicContact CD1-CB 3.88Å; I185-M194 HydrophobicContact CD1-SD 4Å; I185-M194 HydrophobicContact CG2-SD 4.44Å; T192-M194 HydrophobicContact CG2-CE 3.96Å; T192-M194 HydrophobicContact CG2-CG 4.22Å
195	T	97.3	Very high	93.2	Very high	38 Å²	38	34.4 Å²	34.4	23%	0.233	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	127.3	-177.5	-60.4	0	0	0	0	111.2	T50 I80 D81 N197	T50-T195 VanDerWaalsContact CG2-OG1 3.25Å; T50-T195 WeakPolarHBondContact CG2-OG1 3.49Å; T50-T195 WeakPolarHBondContact OG1-CG2 3.42Å; T50-T195 PolarHBondContact OG1-OG1 2.97Å; I80-T195 WeakPolarHBondContact CA-O 3.5Å; D81-T195 PolarHBondContact N-O 2.91Å; D81-T195 PolarHBondContact O-N 3.06Å; T195-N197 PolarHBondContact O-N 2.86Å; T195-N197 PolarHBondContact O-ND2 2.89Å; T195-N197 VanDerWaalsContact O-ND2 3.15Å
196	L	97.7	Very high	92.8	Very high	3 Å²	3	40.4 Å²	40.4	2%	0.016	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	112.3	168.3	179.7	64.8	0	0	0	109.4	W30 W32 R49 W78 I80 T199	W30-L196 HydrophobicContact CD2-CD2 4.32Å; W30-L196 HydrophobicContact CE3-CD2 3.99Å; W30-L196 HydrophobicContact CH2-CD1 3.64Å; W30-L196 HydrophobicContact CH2-CD2 3.69Å; W30-L196 HydrophobicContact CH2-CG 4.33Å; W30-L196 HydrophobicContact CZ2-CD1 3.76Å; W30-L196 HydrophobicContact CZ2-CD2 4.08Å; W30-L196 HydrophobicContact CZ3-CD1 4.44Å; W30-L196 HydrophobicContact CZ3-CD2 3.66Å; W32-L196 HydrophobicContact CZ2-CB 4.02Å; W32-L196 HydrophobicContact CZ2-CD1 4.27Å; W32-L196 HydrophobicContact CZ2-CD2 4.46Å; W32-L196 HydrophobicContact CZ2-CG 4.5Å; R49-L196 HydrophobicContact CB-CB 4.17Å; R49-L196 HydrophobicContact CG-CB 4.43Å; R49-L196 HydrophobicContact CG-CD2 4.41Å; R49-L196 PolarHBondContact O-N 2.88Å; W78-L196 HydrophobicContact CB-CD1 3.97Å; W78-L196 HydrophobicContact CG-CD1 4.28Å; I80-L196 HydrophobicContact CD1-CD1 3.85Å; L196-T199 HydrophobicContact CD1-CG2 3.64Å; L196-T199 HydrophobicContact CD2-CG2 3.98Å; L196-T199 HydrophobicContact CG-CG2 3.82Å
197	N	92.9	Very high	92.4	Very high	40 Å²	40	45.3 Å²	45.3	21%	0.214	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	-113.1	-179.4	-70.8	-80.7	0	0	0	111.4	R49 E79 D81 T195 T199	R49-N197 PolarHBondContact NH1-O 2.8Å; E79-N197 HydrophobicContact CB-CB 4.38Å; E79-N197 PolarHBondContact O-N 2.64Å; D81-N197 WeakPolarHBondContact CB-ND2 3.5Å; D81-N197 PolarHBondContact OD1-ND2 2.81Å; D81-N197 PolarHBondContact OD2-ND2 3.13Å; T195-N197 PolarHBondContact O-N 2.86Å; T195-N197 PolarHBondContact O-ND2 2.89Å; T195-N197 VanDerWaalsContact O-ND2 3.15Å; N197-T199 PolarHBondContact O-N 2.89Å; N197-T199 PolarHBondContact O-OG1 2.86Å
198	E	91.9	Very high	91.9	Very high	47 Å²	47	45.3 Å²	45.3	22%	0.22	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-56.5	134.3	179.4	-68.4	-68.4	169	0	0	109	N18 W78 E79 K200	N18-E198 PolarHBondContact ND2-OE1 3.4Å; W78-E198 CarbonylContact C-O 3.52Å; W78-E198 WeakPolarHBondContact CA-O 3.39Å; E79-E198 HydrophobicContact CB-CB 4.34Å; E79-E198 HydrophobicContact CG-CB 4.15Å; E79-E198 PolarHBondContact N-O 3.32Å; E198-K200 WeakPolarHBondContact OE2-CE 3.43Å; E198-K200 IonicContact OE2-NZ 2.73Å; E198-K200 PolarHBondContact OE2-NZ 2.92Å
199	T	94.6	Very high	91.6	Very high	4 Å²	4	50.7 Å²	50.7	3%	0.025	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	113.1	179.7	28.4	0	0	0	0	104.8	D27 D28 W30 R49 Y77 W78 L196 N197	D27-T199 CarbonylContact C-O 3.58Å; D27-T199 WeakPolarHBondContact CA-O 3.44Å; D28-T199 PolarHBondContact N-O 2.82Å; D28-T199 WeakPolarHBondContact O-CB 3.45Å; D28-T199 PolarHBondContact O-OG1 3.45Å; W30-T199 HydrophobicContact CZ2-CG2 4.14Å; R49-T199 PolarHBondContact NH1-OG1 2.88Å; R49-T199 PolarHBondContact NH2-OG1 3.26Å; Y77-T199 CarbonylContact O-C 3.52Å; Y77-T199 WeakPolarHBondContact O-CA 2.98Å; W78-T199 HydrophobicContact CB-CG2 3.92Å; L196-T199 HydrophobicContact CD1-CG2 3.64Å; L196-T199 HydrophobicContact CD2-CG2 3.98Å; L196-T199 HydrophobicContact CG-CG2 3.82Å; N197-T199 PolarHBondContact O-N 2.89Å; N197-T199 PolarHBondContact O-OG1 2.86Å
200	K	94	Very high	91.6	Very high	35 Å²	35	53.2 Å²	53.2	15%	0.152	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	147.8	-172	-59.2	-66	-177.4	-157	0	110.5	F22 A25 C26 D27 Y76 Y77 E198	F22-K200 HydrophobicContact CD2-CB 4.06Å; F22-K200 HydrophobicContact CE2-CB 4.22Å; A25-K200 HydrophobicContact CB-CB 4.2Å; C26-K200 CarbonylContact O-C 3.54Å; C26-K200 VanDerWaalsContact O-CA 3.27Å; C26-K200 WeakPolarHBondContact O-CA 3.45Å; D27-K200 IonicContact OD1-NZ 3.58Å; D27-K200 PolarHBondContact OD1-NZ 3.27Å; Y76-K200 CarbonylContact C-O 3.51Å; Y76-K200 WeakPolarHBondContact CA-O 3.4Å; Y77-K200 PolarHBondContact N-O 3.32Å; Y77-K200 PolarHBondContact O-N 2.7Å; E198-K200 WeakPolarHBondContact OE2-CE 3.43Å; E198-K200 IonicContact OE2-NZ 2.73Å; E198-K200 PolarHBondContact OE2-NZ 2.92Å
201	R	93.2	Very high	91.4	Very high	3 Å²	3	51.9 Å²	51.9	1%	0.011	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	150.7	168.1	66.2	175.5	-174.7	81.8	-3.2	111.5	A25 C26 D28 Q75 Y76 D208 W243	A25-R201 WeakPolarHBondContact CA-O 3.22Å; A25-R201 VanDerWaalsContact CB-O 3.3Å; A25-R201 WeakPolarHBondContact CB-O 3.2Å; C26-R201 PolarHBondContact N-O 2.77Å; C26-R201 PolarHBondContact O-N 3.11Å; C26-R201 VanDerWaalsContact SG-CG 3.51Å; D28-R201 HydrophobicContact CB-CB 4.3Å; D28-R201 HydrophobicContact CB-CG 4.22Å; Q75-R201 CarbonylContact O-C 3.57Å; Q75-R201 VanDerWaalsContact O-CA 3.29Å; Q75-R201 WeakPolarHBondContact O-CA 3.39Å; Y76-R201 HydrophobicContact CD1-CB 3.56Å; Y76-R201 HydrophobicContact CE1-CB 3.57Å; Y76-R201 HydrophobicContact CE1-CG 4.49Å; Y76-R201 HydrophobicContact CG-CB 4.5Å; R201-D208 IonicContact CZ-OD2 2.84Å; R201-D208 IonicContact NH1-OD1 2.8Å; R201-D208 IonicContact NH1-OD2 2.57Å; R201-D208 PolarHBondContact NH1-OD2 2.84Å; R201-D208 IonicContact NH2-OD1 2.78Å; R201-D208 PolarHBondContact NH2-OD1 3.26Å; R201-D208 IonicContact NH2-OD2 3.9Å; R201-W243 VanDerWaalsContact NH2-CH2 3.25Å
202	T	92	Very high	91.2	Very high	26 Å²	26	47 Å²	47	16%	0.16	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.6	152.1	166.5	54.8	0	0	0	0	110.7	F22 Q75	F22-T202 HydrophobicContact CD1-CG2 4.05Å; F22-T202 HydrophobicContact CE1-CG2 4Å; F22-T202 HydrophobicContact CG-CG2 4.44Å; F22-T202 HydrophobicContact CZ-CG2 4.32Å; Q75-T202 HydrophobicContact CB-CG2 3.79Å; Q75-T202 HydrophobicContact CG-CG2 4.21Å; Q75-T202 PolarHBondContact N-OG1 3.33Å; Q75-T202 PolarHBondContact O-N 2.63Å
203	F	89.4	Confident	91	Very high	37 Å²	37	54.1 Å²	54.1	16%	0.162	25%	0.252	C	S	.	.			trans	-67.7	140.3	170.1	-61.6	-72.1	0	0	0	110.8	C26 D208 R209 W212	C26-F203 HydrophobicContact CB-CD1 4.49Å; C26-F203 HydrophobicContact CB-CE1 3.61Å; C26-F203 HydrophobicContact CB-CZ 3.8Å; F203-D208 VanDerWaalsContact CA-OD2 3.31Å; F203-D208 WeakPolarHBondContact CA-OD2 3.35Å; F203-R209 HydrophobicContact CB-CB 4.16Å; F203-R209 VanDerWaalsContact CD1-CA 3.47Å; F203-R209 HydrophobicContact CD1-CB 3.89Å; F203-R209 HydrophobicContact CD1-CG 4.33Å; F203-R209 HydrophobicContact CD2-CB 4.11Å; F203-R209 HydrophobicContact CD2-CG 3.97Å; F203-R209 HydrophobicContact CE1-CB 4.31Å; F203-R209 HydrophobicContact CE1-CG 4.36Å; F203-R209 HydrophobicContact CE2-CG 3.99Å; F203-R209 HydrophobicContact CG-CB 3.77Å; F203-R209 HydrophobicContact CG-CG 4.13Å; F203-R209 HydrophobicContact CZ-CG 4.19Å; F203-W212 HydrophobicContact CD1-CB 4.5Å; F203-W212 HydrophobicContact CE1-CB 3.64Å; F203-W212 AromaticContact CE1-CD2 3.96Å; F203-W212 HydrophobicContact CE1-CD2 3.96Å; F203-W212 HydrophobicContact CE1-CE3 4.18Å; F203-W212 AromaticContact CE1-CG 3.73Å; F203-W212 HydrophobicContact CE1-CG 3.73Å; F203-W212 HydrophobicContact CZ-CB 4.43Å; F203-W212 AromaticContact CZ-CD2 3.92Å; F203-W212 HydrophobicContact CZ-CD2 3.92Å; F203-W212 AromaticContact CZ-CE3 3.81Å; F203-W212 HydrophobicContact CZ-CE3 3.81Å; F203-W212 HydrophobicContact CZ-CG 4.2Å; F203-W212 HydrophobicContact CZ-CZ3 4.36Å
204	W	85.5	Confident	90.6	Very high	133 Å²	133	53.5 Å²	53.5	50%	0.504	25%	0.251	S	S	.	.	S	Bend	trans	-74.5	-38.3	179.1	-59.7	-28.3	0	0	0	112.5	Y76 D208	Y76-W204 PolarHBondContact OH-NE1 3.43Å; W204-D208 HydrophobicContact CB-CB 4.41Å; W204-D208 PolarHBondContact N-OD2 3.48Å
205	N	86.3	Confident	90	Very high	85 Å²	85	53.8 Å²	53.8	46%	0.455	25%	0.252	S	S	.	.	S	Bend	trans	-158.2	179.1	179.7	58.5	41.5	0	0	0	110.4	Q207 D208 R209	N205-Q207 VanDerWaalsContact C-N 3.31Å; N205-Q207 PolarHBondContact O-N 3.08Å; N205-Q207 WeakPolarHBondContact OD1-CA 3.47Å; N205-Q207 WeakPolarHBondContact OD1-CB 3.43Å; N205-Q207 PolarHBondContact OD1-N 3.05Å; N205-Q207 VanDerWaalsContact OD1-N 3.11Å; N205-D208 WeakPolarHBondContact O-CB 3.14Å; N205-D208 PolarHBondContact O-N 2.77Å; N205-D208 PolarHBondContact OD1-N 2.99Å; N205-R209 PolarHBondContact O-N 3.18Å; N205-R209 VanDerWaalsContact O-N 3.16Å
206	L	89.2	Confident	89.3	Confident	128 Å²	128	56.5 Å²	56.5	67%	0.67	26%	0.261	S	S	*	.	H	α-helix	trans	-62	-38.8	179.4	-178	60.7	0	0	0	112.3	D208 R209 C210	L206-D208 VanDerWaalsContact C-N 3.29Å; L206-D208 PolarHBondContact O-N 3.49Å; L206-R209 PolarHBondContact O-N 3.38Å; L206-C210 WeakPolarHBondContact O-CB 3.4Å; L206-C210 PolarHBondContact O-N 3.2Å; L206-C210 PolarHBondContact O-SG 3.31Å
207	Q	88	Confident	88.7	Confident	103 Å²	103	62.4 Å²	62.4	48%	0.481	29%	0.289	S	S	.	.	H	α-helix	trans	-60.7	-41.6	177.1	-175.9	-175.7	75	0	0	110.8	N205 R209 C210 C211	N205-Q207 VanDerWaalsContact C-N 3.31Å; N205-Q207 PolarHBondContact O-N 3.08Å; N205-Q207 WeakPolarHBondContact OD1-CA 3.47Å; N205-Q207 WeakPolarHBondContact OD1-CB 3.43Å; N205-Q207 PolarHBondContact OD1-N 3.05Å; N205-Q207 VanDerWaalsContact OD1-N 3.11Å; Q207-R209 PolarHBondContact O-N 3.08Å; Q207-C210 PolarHBondContact O-N 3.02Å; Q207-C211 WeakPolarHBondContact O-CB 3.24Å; Q207-C211 PolarHBondContact O-N 2.95Å; Q207-C211 PolarHBondContact O-SG 2.83Å; Q207-C211 VanDerWaalsContact O-SG 3.33Å
208	D	87.3	Confident	88.4	Confident	0 Å²	0	62.2 Å²	62.2	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-60.7	-44.1	176.3	-177.5	45.1	0	0	0	113	R201 F203 W204 N205 L206 W212 R240 W243	R201-D208 IonicContact CZ-OD2 2.84Å; R201-D208 IonicContact NH1-OD1 2.8Å; R201-D208 IonicContact NH1-OD2 2.57Å; R201-D208 PolarHBondContact NH1-OD2 2.84Å; R201-D208 IonicContact NH2-OD1 2.78Å; R201-D208 PolarHBondContact NH2-OD1 3.26Å; R201-D208 IonicContact NH2-OD2 3.9Å; F203-D208 VanDerWaalsContact CA-OD2 3.31Å; F203-D208 WeakPolarHBondContact CA-OD2 3.35Å; W204-D208 HydrophobicContact CB-CB 4.41Å; W204-D208 PolarHBondContact N-OD2 3.48Å; N205-D208 WeakPolarHBondContact O-CB 3.14Å; N205-D208 PolarHBondContact O-N 2.77Å; N205-D208 PolarHBondContact OD1-N 2.99Å; L206-D208 VanDerWaalsContact C-N 3.29Å; L206-D208 PolarHBondContact O-N 3.49Å; D208-W212 WeakPolarHBondContact O-CB 3.3Å; D208-W212 PolarHBondContact O-N 2.94Å; D208-R240 IonicContact OD1-CZ 3.97Å; D208-R240 IonicContact OD1-NH1 2.85Å; D208-R240 PolarHBondContact OD1-NH1 3.22Å; D208-W243 WeakPolarHBondContact OD1-CH2 3.32Å; D208-W243 WeakPolarHBondContact OD1-CZ3 3.24Å
209	R	88.8	Confident	87.9	Confident	119 Å²	119	69.6 Å²	69.6	45%	0.449	32%	0.319	S	S	.	.	H	α-helix	trans	-62.9	-45.9	173.7	-173	179.3	-177.6	179.4	4.5	112.6	N24 F203 N205 L206 Q207 W212 R213	N24-R209 PolarHBondContact OD1-NH2 3.09Å; F203-R209 HydrophobicContact CB-CB 4.16Å; F203-R209 VanDerWaalsContact CD1-CA 3.47Å; F203-R209 HydrophobicContact CD1-CB 3.89Å; F203-R209 HydrophobicContact CD1-CG 4.33Å; F203-R209 HydrophobicContact CD2-CB 4.11Å; F203-R209 HydrophobicContact CD2-CG 3.97Å; F203-R209 HydrophobicContact CE1-CB 4.31Å; F203-R209 HydrophobicContact CE1-CG 4.36Å; F203-R209 HydrophobicContact CE2-CG 3.99Å; F203-R209 HydrophobicContact CG-CB 3.77Å; F203-R209 HydrophobicContact CG-CG 4.13Å; F203-R209 HydrophobicContact CZ-CG 4.19Å; N205-R209 PolarHBondContact O-N 3.18Å; N205-R209 VanDerWaalsContact O-N 3.16Å; L206-R209 PolarHBondContact O-N 3.38Å; Q207-R209 PolarHBondContact O-N 3.08Å; R209-W212 PolarHBondContact O-N 3.02Å; R209-R213 PolarHBondContact O-N 3.11Å
210	C	89.4	Confident	87.4	Confident	61 Å²	61	72.6 Å²	72.6	41%	0.412	34%	0.335	S	S	.	.	H	α-helix	trans	-63.6	-45.6	179.3	-69.9	0	0	0	0	111.2	L206 Q207 W212 R213 L214	L206-C210 WeakPolarHBondContact O-CB 3.4Å; L206-C210 PolarHBondContact O-N 3.2Å; L206-C210 PolarHBondContact O-SG 3.31Å; Q207-C210 PolarHBondContact O-N 3.02Å; C210-W212 PolarHBondContact O-N 2.73Å; C210-R213 PolarHBondContact O-N 3.22Å; C210-L214 WeakPolarHBondContact O-CB 3.37Å; C210-L214 WeakPolarHBondContact O-CG 3.45Å; C210-L214 PolarHBondContact O-N 3.36Å
211	C	87.1	Confident	86.8	Confident	6 Å²	6	73.3 Å²	73.3	4%	0.041	34%	0.34	C	S	.	.	H	α-helix	trans	-58.9	-47.8	175.7	-74.3	0	0	0	0	111.3	Q207 R213 L214 V215 L237	Q207-C211 WeakPolarHBondContact O-CB 3.24Å; Q207-C211 PolarHBondContact O-N 2.95Å; Q207-C211 PolarHBondContact O-SG 2.83Å; Q207-C211 VanDerWaalsContact O-SG 3.33Å; C211-R213 PolarHBondContact O-N 2.94Å; C211-L214 PolarHBondContact O-N 3.25Å; C211-V215 WeakPolarHBondContact O-CG2 3.44Å; C211-V215 PolarHBondContact O-N 3.01Å; C211-L237 HydrophobicContact CB-CD2 3.76Å
212	W	86.6	Confident	86.4	Confident	39 Å²	39	77.8 Å²	77.8	15%	0.148	36%	0.364	C	S	.	.	H	α-helix	trans	-59.8	-44.9	177.7	179	86.5	0	0	0	112.2	C26 F203 D208 R209 C210 L214 V215 K216	C26-W212 HydrophobicContact CB-CD2 3.99Å; C26-W212 HydrophobicContact CB-CG 3.86Å; C26-W212 HydrophobicContact CB-CZ2 4.23Å; F203-W212 HydrophobicContact CD1-CB 4.5Å; F203-W212 HydrophobicContact CE1-CB 3.64Å; F203-W212 AromaticContact CE1-CD2 3.96Å; F203-W212 HydrophobicContact CE1-CD2 3.96Å; F203-W212 HydrophobicContact CE1-CE3 4.18Å; F203-W212 AromaticContact CE1-CG 3.73Å; F203-W212 HydrophobicContact CE1-CG 3.73Å; F203-W212 HydrophobicContact CZ-CB 4.43Å; F203-W212 AromaticContact CZ-CD2 3.92Å; F203-W212 HydrophobicContact CZ-CD2 3.92Å; F203-W212 AromaticContact CZ-CE3 3.81Å; F203-W212 HydrophobicContact CZ-CE3 3.81Å; F203-W212 HydrophobicContact CZ-CG 4.2Å; F203-W212 HydrophobicContact CZ-CZ3 4.36Å; D208-W212 WeakPolarHBondContact O-CB 3.3Å; D208-W212 PolarHBondContact O-N 2.94Å; R209-W212 PolarHBondContact O-N 3.02Å; C210-W212 PolarHBondContact O-N 2.73Å; W212-L214 PolarHBondContact O-N 3Å; W212-V215 PolarHBondContact O-N 3.26Å; W212-K216 HydrophobicContact CD2-CG 4.29Å; W212-K216 HydrophobicContact CH2-CD 3.87Å; W212-K216 HydrophobicContact CH2-CG 4.17Å; W212-K216 HydrophobicContact CZ2-CD 3.73Å; W212-K216 HydrophobicContact CZ2-CG 3.87Å; W212-K216 HydrophobicContact CZ3-CG 4.48Å; W212-K216 WeakPolarHBondContact O-CB 3.42Å; W212-K216 PolarHBondContact O-N 3.11Å
213	R	87.5	Confident	86.3	Confident	148 Å²	148	79.9 Å²	79.9	56%	0.558	37%	0.372	S	S	*	.	H	α-helix	trans	-61.8	-45.5	177.8	174.6	59.2	106.2	165	1.9	111	R209 C210 C211 K216 E217	R209-R213 PolarHBondContact O-N 3.11Å; C210-R213 PolarHBondContact O-N 3.22Å; C211-R213 PolarHBondContact O-N 2.94Å; R213-K216 PolarHBondContact O-N 3Å; R213-E217 IonicContact CZ-OE1 3.23Å; R213-E217 IonicContact NH1-OE1 3.81Å; R213-E217 PolarHBondContact NH1-OE1 3.15Å; R213-E217 WeakPolarHBondContact O-CG 3.48Å; R213-E217 PolarHBondContact O-N 2.88Å
214	L	87.5	Confident	86.2	Confident	69 Å²	69	78.1 Å²	78.1	36%	0.361	36%	0.364	S	S	.	.	H	α-helix	trans	-57.8	-52.1	177.3	-75.1	170.4	0	0	0	111.4	C210 C211 W212 K216 E217 L218 L229 L237	C210-L214 WeakPolarHBondContact O-CB 3.37Å; C210-L214 WeakPolarHBondContact O-CG 3.45Å; C210-L214 PolarHBondContact O-N 3.36Å; C211-L214 PolarHBondContact O-N 3.25Å; W212-L214 PolarHBondContact O-N 3Å; L214-K216 VanDerWaalsContact C-N 3.26Å; L214-K216 PolarHBondContact O-N 2.93Å; L214-E217 PolarHBondContact O-N 2.75Å; L214-E217 VanDerWaalsContact O-N 3.14Å; L214-L218 WeakPolarHBondContact O-CG 3.25Å; L214-L218 PolarHBondContact O-N 3.4Å; L214-L229 HydrophobicContact CD1-CD1 4.14Å; L214-L237 HydrophobicContact CB-CD2 4.13Å; L214-L237 HydrophobicContact CD1-CD1 4.35Å; L214-L237 HydrophobicContact CD1-CD2 4.29Å
215	V	84.1	Confident	86.4	Confident	5 Å²	5	76 Å²	76	3%	0.03	36%	0.362	C	S	.	.	H	α-helix	trans	-61.9	-34.9	-179.4	-176	0	0	0	0	111.6	C211 W212 E217 L218 I221 L237 V244	C211-V215 WeakPolarHBondContact O-CG2 3.44Å; C211-V215 PolarHBondContact O-N 3.01Å; W212-V215 PolarHBondContact O-N 3.26Å; V215-E217 VanDerWaalsContact C-N 3.34Å; V215-E217 PolarHBondContact O-N 2.62Å; V215-L218 PolarHBondContact O-N 2.89Å; V215-I221 HydrophobicContact CG1-CD1 4.04Å; V215-L237 HydrophobicContact CG2-CB 4.39Å; V215-L237 HydrophobicContact CG2-CD2 3.8Å; V215-V244 HydrophobicContact CB-CG2 3.88Å; V215-V244 HydrophobicContact CG1-CB 3.73Å; V215-V244 HydrophobicContact CG1-CG1 4.24Å; V215-V244 HydrophobicContact CG1-CG2 3.36Å
216	K	83.3	Confident	86.5	Confident	96 Å²	96	79.1 Å²	79.1	42%	0.417	37%	0.374	S	S	.	.	H	α-helix	trans	-65.2	-30.8	176.1	-97	-119.8	173.2	171.2	0	114.7	W212 R213 L214 V244	W212-K216 HydrophobicContact CD2-CG 4.29Å; W212-K216 HydrophobicContact CH2-CD 3.87Å; W212-K216 HydrophobicContact CH2-CG 4.17Å; W212-K216 HydrophobicContact CZ2-CD 3.73Å; W212-K216 HydrophobicContact CZ2-CG 3.87Å; W212-K216 HydrophobicContact CZ3-CG 4.48Å; W212-K216 WeakPolarHBondContact O-CB 3.42Å; W212-K216 PolarHBondContact O-N 3.11Å; R213-K216 PolarHBondContact O-N 3Å; L214-K216 VanDerWaalsContact C-N 3.26Å; L214-K216 PolarHBondContact O-N 2.93Å; K216-V244 HydrophobicContact CG-CG2 4.4Å
217	E	85.3	Confident	86.6	Confident	126 Å²	126	75 Å²	75	59%	0.589	35%	0.353	S	S	*	.	H	α-helix	trans	-82.3	-16.1	177	-60.3	-57.7	147.6	0	0	112.3	R213 L214 V215 K219	R213-E217 IonicContact CZ-OE1 3.23Å; R213-E217 IonicContact NH1-OE1 3.81Å; R213-E217 PolarHBondContact NH1-OE1 3.15Å; R213-E217 WeakPolarHBondContact O-CG 3.48Å; R213-E217 PolarHBondContact O-N 2.88Å; L214-E217 PolarHBondContact O-N 2.75Å; L214-E217 VanDerWaalsContact O-N 3.14Å; V215-E217 VanDerWaalsContact C-N 3.34Å; V215-E217 PolarHBondContact O-N 2.62Å; E217-K219 PolarHBondContact O-N 2.86Å
218	L	85	Confident	86.8	Confident	36 Å²	36	76.3 Å²	76.3	19%	0.188	37%	0.37	C	S	.	.			trans	-75.2	126.4	177.7	-65.3	177.9	0	0	0	110.8	L214 V215 N220 H223 V224 L227	L214-L218 WeakPolarHBondContact O-CG 3.25Å; L214-L218 PolarHBondContact O-N 3.4Å; V215-L218 PolarHBondContact O-N 2.89Å; L218-N220 VanDerWaalsContact C-N 3.33Å; L218-H223 HydrophobicContact CD2-CB 4.06Å; L218-V224 HydrophobicContact CD1-CB 4.31Å; L218-V224 HydrophobicContact CD1-CG2 3.29Å; L218-L227 HydrophobicContact CD1-CD1 4.35Å; L218-L227 HydrophobicContact CD2-CD1 4.44Å; L218-L227 HydrophobicContact CD2-CD2 4.33Å
219	K	82	Confident	86.9	Confident	203 Å²	203	78.9 Å²	78.9	88%	0.883	38%	0.384	S	S	*	.	S	Bend	trans	-67.2	-34.8	173.3	-65	-177.3	179.8	178.7	0	112.8	E217	E217-K219 PolarHBondContact O-N 2.86Å
220	N	83.8	Confident	87.1	Confident	67 Å²	67	76.8 Å²	76.8	36%	0.358	39%	0.386	S	S	.	.	S	Bend	trans	-140.3	140.4	177	-177.1	-3.9	0	0	0	108.1	L218 D222 H223	L218-N220 VanDerWaalsContact C-N 3.33Å; N220-D222 PolarHBondContact ND2-OD2 3.11Å; N220-D222 PolarHBondContact O-N 3.33Å; N220-D222 PolarHBondContact OD1-N 2.82Å; N220-D222 VanDerWaalsContact OD1-N 3.16Å; N220-D222 PolarHBondContact OD1-OD2 2.93Å; N220-H223 VanDerWaalsContact O-CB 3.3Å; N220-H223 WeakPolarHBondContact O-CB 3.5Å; N220-H223 PolarHBondContact O-N 3.28Å; N220-H223 VanDerWaalsContact O-N 3.08Å
221	I	82.5	Confident	87.2	Confident	50 Å²	50	78.4 Å²	78.4	26%	0.256	40%	0.395	S	S	.	.	G	3₁₀ helix	trans	-61.3	-26.9	176.8	-165.9	67.2	0	0	0	113	V215 H223 V224 S241	V215-I221 HydrophobicContact CG1-CD1 4.04Å; I221-H223 PolarHBondContact O-N 2.71Å; I221-V224 HydrophobicContact CD1-CG2 3.64Å; I221-V224 HydrophobicContact CG1-CG2 4.24Å; I221-V224 VanDerWaalsContact O-CB 3.27Å; I221-V224 WeakPolarHBondContact O-CB 3.38Å; I221-V224 WeakPolarHBondContact O-CG2 3.37Å; I221-V224 PolarHBondContact O-N 3.14Å; I221-S241 VanDerWaalsContact CG1-CB 3.45Å
222	D	84.7	Confident	87.4	Confident	97 Å²	97	83.5 Å²	83.5	52%	0.519	43%	0.426	S	S	.	.	G	3₁₀ helix	trans	-64.2	-22.3	176.4	-58.5	-36.6	0	0	0	112.2	N220 V224 D225	N220-D222 PolarHBondContact ND2-OD2 3.11Å; N220-D222 PolarHBondContact O-N 3.33Å; N220-D222 PolarHBondContact OD1-N 2.82Å; N220-D222 VanDerWaalsContact OD1-N 3.16Å; N220-D222 PolarHBondContact OD1-OD2 2.93Å; D222-V224 PolarHBondContact O-N 3.49Å; D222-D225 PolarHBondContact O-N 3.23Å
223	H	88.3	Confident	87.5	Confident	69 Å²	69	84.3 Å²	84.3	32%	0.319	43%	0.433	S	S	.	.	G	3₁₀ helix	trans	-70.5	-10.2	174.4	-61.4	176.3	0	0	0	113	L218 N220 I221 D225 Q226	L218-H223 HydrophobicContact CD2-CB 4.06Å; N220-H223 VanDerWaalsContact O-CB 3.3Å; N220-H223 WeakPolarHBondContact O-CB 3.5Å; N220-H223 PolarHBondContact O-N 3.28Å; N220-H223 VanDerWaalsContact O-N 3.08Å; I221-H223 PolarHBondContact O-N 2.71Å; H223-D225 PolarHBondContact O-N 3.5Å; H223-Q226 PolarHBondContact O-N 2.76Å; H223-Q226 VanDerWaalsContact O-N 3.13Å
224	V	88.2	Confident	87.6	Confident	0 Å²	0	78.4 Å²	78.4	0%	0	41%	0.413	C	S	.	.	G	3₁₀ helix	trans	-54.1	-41.7	171.8	171.5	0	0	0	0	110.1	L218 I221 D222 Q226 L227 L234 L237 K238	L218-V224 HydrophobicContact CD1-CB 4.31Å; L218-V224 HydrophobicContact CD1-CG2 3.29Å; I221-V224 HydrophobicContact CD1-CG2 3.64Å; I221-V224 HydrophobicContact CG1-CG2 4.24Å; I221-V224 VanDerWaalsContact O-CB 3.27Å; I221-V224 WeakPolarHBondContact O-CB 3.38Å; I221-V224 WeakPolarHBondContact O-CG2 3.37Å; I221-V224 PolarHBondContact O-N 3.14Å; D222-V224 PolarHBondContact O-N 3.49Å; V224-Q226 PolarHBondContact O-N 2.98Å; V224-L227 WeakPolarHBondContact O-CB 3.24Å; V224-L227 PolarHBondContact O-N 2.81Å; V224-L234 HydrophobicContact CG1-CB 4.12Å; V224-L234 HydrophobicContact CG1-CD2 3.88Å; V224-L234 WeakPolarHBondContact CG1-O 3.46Å; V224-L234 WeakPolarHBondContact O-CD2 3.23Å; V224-L237 HydrophobicContact CG1-CB 3.78Å; V224-L237 HydrophobicContact CG1-CD1 4.12Å; V224-L237 HydrophobicContact CG2-CB 4.14Å; V224-K238 HydrophobicContact CB-CG 4.26Å; V224-K238 HydrophobicContact CG1-CG 4.07Å
225	D	88.7	Confident	87.7	Confident	89 Å²	89	80.7 Å²	80.7	48%	0.476	42%	0.424	S	S	.	.	G	3₁₀ helix	trans	-64.5	-15.7	-177.1	-68.6	-37.1	0	0	0	114.1	D222 H223 K238	D222-D225 PolarHBondContact O-N 3.23Å; H223-D225 PolarHBondContact O-N 3.5Å; D225-K238 WeakPolarHBondContact OD1-CE 3.14Å; D225-K238 IonicContact OD1-NZ 3.59Å; D225-K238 PolarHBondContact OD1-NZ 2.99Å; D225-K238 WeakPolarHBondContact OD2-CE 3.37Å; D225-K238 IonicContact OD2-NZ 3.66Å; D225-K238 PolarHBondContact OD2-NZ 3.13Å
226	Q	89.7	Confident	87.8	Confident	150 Å²	150	82.3 Å²	82.3	70%	0.701	43%	0.431	S	S	*	.	G	3₁₀ helix	trans	-93.5	-7.2	-179.9	-58.2	173.5	15.5	0	0	112.5	H223 V224	H223-Q226 PolarHBondContact O-N 2.76Å; H223-Q226 VanDerWaalsContact O-N 3.13Å; V224-Q226 PolarHBondContact O-N 2.98Å
227	L	90	Very high	88	Confident	42 Å²	42	77.8 Å²	77.8	22%	0.22	41%	0.412	C	S	.	.	S	Bend	trans	-72.1	138.2	179.4	-65	174.8	0	0	0	110.3	L218 V224 L229 L234 L237	L218-L227 HydrophobicContact CD1-CD1 4.35Å; L218-L227 HydrophobicContact CD2-CD1 4.44Å; L218-L227 HydrophobicContact CD2-CD2 4.33Å; V224-L227 WeakPolarHBondContact O-CB 3.24Å; V224-L227 PolarHBondContact O-N 2.81Å; L227-L229 HydrophobicContact CB-CD1 3.96Å; L227-L229 HydrophobicContact CB-CG 4.05Å; L227-L229 HydrophobicContact CD1-CD1 3.97Å; L227-L229 PolarHBondContact O-N 2.59Å; L227-L234 HydrophobicContact CB-CD2 4.09Å; L227-L237 HydrophobicContact CD1-CD1 3.85Å
228	P	92.6	Very high	88	Confident	131 Å²	131	75.6 Å²	75.6	85%	0.851	40%	0.4	S	S	*	.	S	Bend	trans	-76.1	61.2	176.8	33.6	-36.7	0	0	0	111
229	L	90.7	Very high	87.8	Confident	53 Å²	53	81.1 Å²	81.1	28%	0.277	42%	0.418	S	S	.	.	S	Bend	trans	-124.3	150.2	-176.7	-64	174.9	0	0	0	111	L214 L227 L233 L234 L237	L214-L229 HydrophobicContact CD1-CD1 4.14Å; L227-L229 HydrophobicContact CB-CD1 3.96Å; L227-L229 HydrophobicContact CB-CG 4.05Å; L227-L229 HydrophobicContact CD1-CD1 3.97Å; L227-L229 PolarHBondContact O-N 2.59Å; L229-L233 HydrophobicContact CB-CB 4.35Å; L229-L233 HydrophobicContact CD2-CD1 4.48Å; L229-L234 HydrophobicContact CB-CD2 3.79Å; L229-L234 HydrophobicContact CB-CG 4.41Å; L229-L234 HydrophobicContact CD1-CD2 4.41Å; L229-L237 HydrophobicContact CD1-CD1 3.71Å
230	P	93	Very high	87.6	Confident	76 Å²	76	72 Å²	72	49%	0.494	38%	0.378	S	S	.	.			trans	-53.1	144.2	173.3	-27.5	33.4	0	0	0	113.1	T232 L233 L234	P230-T232 PolarHBondContact O-N 3.42Å; P230-T232 VanDerWaalsContact O-N 3.08Å; P230-L233 WeakPolarHBondContact O-CB 3.21Å; P230-L233 PolarHBondContact O-N 3.23Å; P230-L234 PolarHBondContact O-N 3.22Å
231	P	91.7	Very high	86.7	Confident	95 Å²	95	70.3 Å²	70.3	62%	0.617	37%	0.372	S	S	*	.	H	α-helix	trans	-51.5	-37.7	-177.2	-29.9	35.2	0	0	0	114.7	L233 L234 I235	P231-L233 VanDerWaalsContact C-N 3.31Å; P231-L233 PolarHBondContact O-N 2.89Å; P231-L234 WeakPolarHBondContact O-CB 3.39Å; P231-L234 PolarHBondContact O-N 3.18Å; P231-I235 WeakPolarHBondContact O-CG1 3.42Å; P231-I235 PolarHBondContact O-N 3.31Å
232	T	90.8	Very high	85.7	Confident	113 Å²	113	77.4 Å²	77.4	69%	0.693	40%	0.396	S	S	*	.	H	α-helix	trans	-60.8	-38.5	177.3	-46.3	0	0	0	0	112.4	P230 E236	P230-T232 PolarHBondContact O-N 3.42Å; P230-T232 VanDerWaalsContact O-N 3.08Å; T232-E236 WeakPolarHBondContact O-CB 3.32Å; T232-E236 PolarHBondContact O-N 3.24Å
233	L	88.4	Confident	84.5	Confident	55 Å²	55	74.5 Å²	74.5	29%	0.288	38%	0.378	S	S	.	.	H	α-helix	trans	-72.5	-35.2	176.3	-69.9	-176.4	0	0	0	111.6	L229 P230 P231 E236 L237	L229-L233 HydrophobicContact CB-CB 4.35Å; L229-L233 HydrophobicContact CD2-CD1 4.48Å; P230-L233 WeakPolarHBondContact O-CB 3.21Å; P230-L233 PolarHBondContact O-N 3.23Å; P231-L233 VanDerWaalsContact C-N 3.31Å; P231-L233 PolarHBondContact O-N 2.89Å; L233-E236 PolarHBondContact O-N 3.01Å; L233-L237 WeakPolarHBondContact O-CB 3.25Å; L233-L237 VanDerWaalsContact O-CG 3.24Å; L233-L237 WeakPolarHBondContact O-CG 3.21Å; L233-L237 PolarHBondContact O-N 3.27Å
234	L	90.3	Very high	82.7	Confident	24 Å²	24	73.4 Å²	73.4	13%	0.126	38%	0.375	C	S	.	.	H	α-helix	trans	-62.3	-45.4	174.9	-58.5	-175.8	0	0	0	111.5	V224 L227 L229 P230 P231 E236 L237 K238	V224-L234 HydrophobicContact CG1-CB 4.12Å; V224-L234 HydrophobicContact CG1-CD2 3.88Å; V224-L234 WeakPolarHBondContact CG1-O 3.46Å; V224-L234 WeakPolarHBondContact O-CD2 3.23Å; L227-L234 HydrophobicContact CB-CD2 4.09Å; L229-L234 HydrophobicContact CB-CD2 3.79Å; L229-L234 HydrophobicContact CB-CG 4.41Å; L229-L234 HydrophobicContact CD1-CD2 4.41Å; P230-L234 PolarHBondContact O-N 3.22Å; P231-L234 WeakPolarHBondContact O-CB 3.39Å; P231-L234 PolarHBondContact O-N 3.18Å; L234-E236 VanDerWaalsContact C-N 3.31Å; L234-E236 PolarHBondContact O-N 2.95Å; L234-L237 PolarHBondContact O-N 3.03Å; L234-K238 WeakPolarHBondContact O-CG 3.32Å; L234-K238 PolarHBondContact O-N 3.28Å
235	I	88.5	Confident	80.8	Confident	118 Å²	118	77.4 Å²	77.4	61%	0.605	40%	0.4	S	S	*	.	H	α-helix	trans	-59.3	-44.9	174.3	-67.1	166.7	0	0	0	110.3	P231 K238 R239	P231-I235 WeakPolarHBondContact O-CG1 3.42Å; P231-I235 PolarHBondContact O-N 3.31Å; I235-K238 PolarHBondContact O-N 2.96Å; I235-R239 WeakPolarHBondContact O-CB 3.38Å; I235-R239 PolarHBondContact O-N 2.88Å
236	E	85.9	Confident	78.5	Confident	38 Å²	38	82.1 Å²	82.1	18%	0.178	42%	0.416	C	S	.	.	H	α-helix	trans	-66.5	-41	-179.4	-174.2	61	-175.2	0	0	112.3	T232 L233 L234 R239 R240	T232-E236 WeakPolarHBondContact O-CB 3.32Å; T232-E236 PolarHBondContact O-N 3.24Å; L233-E236 PolarHBondContact O-N 3.01Å; L234-E236 VanDerWaalsContact C-N 3.31Å; L234-E236 PolarHBondContact O-N 2.95Å; E236-R239 PolarHBondContact O-N 2.75Å; E236-R239 IonicContact OE1-CZ 3.64Å; E236-R239 IonicContact OE1-NE 3.69Å; E236-R239 IonicContact OE1-NH2 2.74Å; E236-R239 PolarHBondContact OE1-NH2 3.19Å; E236-R239 IonicContact OE2-CZ 3.49Å; E236-R239 IonicContact OE2-NE 2.82Å; E236-R239 PolarHBondContact OE2-NE 3.12Å; E236-R239 IonicContact OE2-NH2 3.3Å; E236-R239 PolarHBondContact OE2-NH2 3.2Å; E236-R240 VanDerWaalsContact CD-NE 3.33Å; E236-R240 WeakPolarHBondContact O-CB 3.39Å; E236-R240 WeakPolarHBondContact O-CD 3.4Å; E236-R240 WeakPolarHBondContact O-CG 3.5Å; E236-R240 PolarHBondContact O-N 3.28Å; E236-R240 IonicContact OE1-CZ 3.09Å; E236-R240 IonicContact OE1-NE 2.67Å; E236-R240 PolarHBondContact OE1-NE 2.69Å; E236-R240 IonicContact OE1-NH2 2.71Å; E236-R240 PolarHBondContact OE1-NH2 3.27Å
237	L	87.1	Confident	75.8	Confident	1 Å²	1	84.8 Å²	84.8	1%	0.005	43%	0.434	C	S	.	.	H	α-helix	trans	-61.4	-43.5	173.7	-71.6	171.6	0	0	0	111.7	C211 L214 V215 V224 L227 L229 L233 L234 R240 S241	C211-L237 HydrophobicContact CB-CD2 3.76Å; L214-L237 HydrophobicContact CB-CD2 4.13Å; L214-L237 HydrophobicContact CD1-CD1 4.35Å; L214-L237 HydrophobicContact CD1-CD2 4.29Å; V215-L237 HydrophobicContact CG2-CB 4.39Å; V215-L237 HydrophobicContact CG2-CD2 3.8Å; V224-L237 HydrophobicContact CG1-CB 3.78Å; V224-L237 HydrophobicContact CG1-CD1 4.12Å; V224-L237 HydrophobicContact CG2-CB 4.14Å; L227-L237 HydrophobicContact CD1-CD1 3.85Å; L229-L237 HydrophobicContact CD1-CD1 3.71Å; L233-L237 WeakPolarHBondContact O-CB 3.25Å; L233-L237 VanDerWaalsContact O-CG 3.24Å; L233-L237 WeakPolarHBondContact O-CG 3.21Å; L233-L237 PolarHBondContact O-N 3.27Å; L234-L237 PolarHBondContact O-N 3.03Å; L237-R240 CarbonylContact O-C 2.98Å; L237-R240 PolarHBondContact O-N 3.46Å; L237-S241 PolarHBondContact O-N 2.96Å; L237-S241 VanDerWaalsContact O-N 3.13Å
238	K	85.9	Confident	75.1	Confident	81 Å²	81	86.9 Å²	86.9	35%	0.352	45%	0.445	S	S	.	.	H	α-helix	trans	-62.5	-42.4	174.8	-78.8	179.7	167.7	179.1	0	112.4	V224 D225 L234 I235 R240 S241	V224-K238 HydrophobicContact CB-CG 4.26Å; V224-K238 HydrophobicContact CG1-CG 4.07Å; D225-K238 WeakPolarHBondContact OD1-CE 3.14Å; D225-K238 IonicContact OD1-NZ 3.59Å; D225-K238 PolarHBondContact OD1-NZ 2.99Å; D225-K238 WeakPolarHBondContact OD2-CE 3.37Å; D225-K238 IonicContact OD2-NZ 3.66Å; D225-K238 PolarHBondContact OD2-NZ 3.13Å; L234-K238 WeakPolarHBondContact O-CG 3.32Å; L234-K238 PolarHBondContact O-N 3.28Å; I235-K238 PolarHBondContact O-N 2.96Å; K238-R240 PolarHBondContact O-N 2.92Å; K238-S241 WeakPolarHBondContact O-CB 3.34Å; K238-S241 PolarHBondContact O-N 3.4Å; K238-S241 VanDerWaalsContact O-N 3.15Å; K238-S241 PolarHBondContact O-OG 3.47Å
239	R	81.7	Confident	74.1	Confident	151 Å²	151	84.6 Å²	84.6	57%	0.57	42%	0.424	S	S	*	.	H	α-helix	trans	-61	-34.5	175.6	-167	-179.3	72.8	95.2	0.7	111.7	I235 E236 S241	I235-R239 WeakPolarHBondContact O-CB 3.38Å; I235-R239 PolarHBondContact O-N 2.88Å; E236-R239 PolarHBondContact O-N 2.75Å; E236-R239 IonicContact OE1-CZ 3.64Å; E236-R239 IonicContact OE1-NE 3.69Å; E236-R239 IonicContact OE1-NH2 2.74Å; E236-R239 PolarHBondContact OE1-NH2 3.19Å; E236-R239 IonicContact OE2-CZ 3.49Å; E236-R239 IonicContact OE2-NE 2.82Å; E236-R239 PolarHBondContact OE2-NE 3.12Å; E236-R239 IonicContact OE2-NH2 3.3Å; E236-R239 PolarHBondContact OE2-NH2 3.2Å; R239-S241 VanDerWaalsContact C-N 3.33Å
240	R	76.3	Confident	73.2	Confident	11 Å²	11	86.3 Å²	86.3	4%	0.042	43%	0.432	C	S	.	.	G	3₁₀ helix	trans	-83.5	-1.9	179.2	-66.6	175.8	179.4	-139.3	13.8	114.2	D208 E236 L237 K238 R242 W243	D208-R240 IonicContact OD1-CZ 3.97Å; D208-R240 IonicContact OD1-NH1 2.85Å; D208-R240 PolarHBondContact OD1-NH1 3.22Å; E236-R240 VanDerWaalsContact CD-NE 3.33Å; E236-R240 WeakPolarHBondContact O-CB 3.39Å; E236-R240 WeakPolarHBondContact O-CD 3.4Å; E236-R240 WeakPolarHBondContact O-CG 3.5Å; E236-R240 PolarHBondContact O-N 3.28Å; E236-R240 IonicContact OE1-CZ 3.09Å; E236-R240 IonicContact OE1-NE 2.67Å; E236-R240 PolarHBondContact OE1-NE 2.69Å; E236-R240 IonicContact OE1-NH2 2.71Å; E236-R240 PolarHBondContact OE1-NH2 3.27Å; L237-R240 CarbonylContact O-C 2.98Å; L237-R240 PolarHBondContact O-N 3.46Å; K238-R240 PolarHBondContact O-N 2.92Å; R240-R242 PolarHBondContact O-N 3.34Å; R240-R242 VanDerWaalsContact O-N 3.16Å; R240-W243 HydrophobicContact CB-CD2 3.76Å; R240-W243 HydrophobicContact CB-CE3 3.64Å; R240-W243 HydrophobicContact CB-CH2 4.02Å; R240-W243 HydrophobicContact CB-CZ2 4.08Å; R240-W243 HydrophobicContact CB-CZ3 3.79Å; R240-W243 HydrophobicContact CG-CD2 4.14Å; R240-W243 HydrophobicContact CG-CE3 3.97Å; R240-W243 HydrophobicContact CG-CH2 3.36Å; R240-W243 HydrophobicContact CG-CZ2 3.49Å; R240-W243 VanDerWaalsContact CG-CZ2 3.49Å; R240-W243 HydrophobicContact CG-CZ3 3.6Å; R240-W243 WeakPolarHBondContact O-CB 3.13Å; R240-W243 PolarHBondContact O-N 2.98Å
241	S	65.4	Low	72.1	Confident	33 Å²	33	86.9 Å²	86.9	23%	0.231	43%	0.428	C	S	.	.	G	3₁₀ helix	trans	-57.1	-28.4	176.9	63.4	0	0	0	0	114.4	I221 L237 K238 R239 W243 V244 T245	I221-S241 VanDerWaalsContact CG1-CB 3.45Å; L237-S241 PolarHBondContact O-N 2.96Å; L237-S241 VanDerWaalsContact O-N 3.13Å; K238-S241 WeakPolarHBondContact O-CB 3.34Å; K238-S241 PolarHBondContact O-N 3.4Å; K238-S241 VanDerWaalsContact O-N 3.15Å; K238-S241 PolarHBondContact O-OG 3.47Å; R239-S241 VanDerWaalsContact C-N 3.33Å; S241-W243 PolarHBondContact O-N 3Å; S241-V244 PolarHBondContact O-N 2.95Å; S241-V244 VanDerWaalsContact O-N 3.13Å; S241-T245 PolarHBondContact O-OG1 2.97Å
242	R	62.3	Low	70.8	Confident	198 Å²	198	86.4 Å²	86.4	75%	0.747	42%	0.416	S	S	*	.	G	3₁₀ helix	trans	-61.2	-6.4	173.9	-64.6	-176	178.8	-117.6	1.5	113.8	S29 R240	S29-R242 PolarHBondContact OG-O 2.85Å; R240-R242 PolarHBondContact O-N 3.34Å; R240-R242 VanDerWaalsContact O-N 3.16Å
243	W	59.6	Low	69.5	Low	37 Å²	37	84.7 Å²	84.7	14%	0.14	40%	0.398	C	S	.	.	G	3₁₀ helix	trans	-91.2	-16.9	178.6	-54	-14.8	0	0	0	113.4	R201 D208 R240 S241	R201-W243 VanDerWaalsContact NH2-CH2 3.25Å; D208-W243 WeakPolarHBondContact OD1-CH2 3.32Å; D208-W243 WeakPolarHBondContact OD1-CZ3 3.24Å; R240-W243 HydrophobicContact CB-CD2 3.76Å; R240-W243 HydrophobicContact CB-CE3 3.64Å; R240-W243 HydrophobicContact CB-CH2 4.02Å; R240-W243 HydrophobicContact CB-CZ2 4.08Å; R240-W243 HydrophobicContact CB-CZ3 3.79Å; R240-W243 HydrophobicContact CG-CD2 4.14Å; R240-W243 HydrophobicContact CG-CE3 3.97Å; R240-W243 HydrophobicContact CG-CH2 3.36Å; R240-W243 HydrophobicContact CG-CZ2 3.49Å; R240-W243 VanDerWaalsContact CG-CZ2 3.49Å; R240-W243 HydrophobicContact CG-CZ3 3.6Å; R240-W243 WeakPolarHBondContact O-CB 3.13Å; R240-W243 PolarHBondContact O-N 2.98Å; S241-W243 PolarHBondContact O-N 3Å
244	V	50.4	Low	68.2	Low	45 Å²	45	86.8 Å²	86.8	27%	0.273	41%	0.406	S	S	.	.	T	Hydrogen-bonded Turn	trans	-119	-9	-169.4	-177.1	0	0	0	0	112.6	V215 K216 S241 K246	V215-V244 HydrophobicContact CB-CG2 3.88Å; V215-V244 HydrophobicContact CG1-CB 3.73Å; V215-V244 HydrophobicContact CG1-CG1 4.24Å; V215-V244 HydrophobicContact CG1-CG2 3.36Å; K216-V244 HydrophobicContact CG-CG2 4.4Å; S241-V244 PolarHBondContact O-N 2.95Å; S241-V244 VanDerWaalsContact O-N 3.13Å; V244-K246 VanDerWaalsContact C-N 3.27Å; V244-K246 PolarHBondContact O-N 3.27Å
245	T	47.4	Very low	66.4	Low	84 Å²	84	91.6 Å²	91.6	52%	0.515	43%	0.427	S	S	.	.			trans	-69.2	84.9	176.9	13.4	0	0	0	0	110.9	S241 L247	S241-T245 PolarHBondContact O-OG1 2.97Å; T245-L247 HydrophobicContact CG2-CB 4.49Å; T245-L247 HydrophobicContact CG2-CD1 3.8Å; T245-L247 HydrophobicContact CG2-CG 4.02Å; T245-L247 PolarHBondContact O-N 2.87Å
246	K	39.9	Very low	64.6	Low	188 Å²	188	89.4 Å²	89.4	82%	0.817	41%	0.412	S	S	*	.			trans	-76.6	73.8	143.8	-71.4	-173	177	-172.6	0	107.1	V244	V244-K246 VanDerWaalsContact C-N 3.27Å; V244-K246 PolarHBondContact O-N 3.27Å
247	L	33.4	Very low	62.7	Low	206 Å²	206	94.1 Å²	94.1	100%	1.079	43%	0.434	S	S	*	.			trans	-108.8	0	160.3	-72.1	175.2	0	0	0	107.2	T245	T245-L247 HydrophobicContact CG2-CB 4.49Å; T245-L247 HydrophobicContact CG2-CD1 3.8Å; T245-L247 HydrophobicContact CG2-CG 4.02Å; T245-L247 PolarHBondContact O-N 2.87Å

Retrieved 247 of 247 residues in 526.5 ms (Link to these results)

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