A0A060X1Q8_ONCMY Loading...

trypsin

AlphaFold DB , UniProt , Accession A0A060X1Q8, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene LOC110538314, 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	42.8	Very low	46.7	Very low	248 Å²	248	152.3 Å²	152.3	100%	1.222	83%	0.83	S	S	*	*				0	137.9	0	-74.7	165.7	-94.9	0	0	107.9
2	K	42.2	Very low	47	Very low	205 Å²	205	148.6 Å²	148.6	89%	0.891	82%	0.815	S	S	*	*			trans	-86	135.3	-174.4	-65.3	176.6	177.6	178.7	0	110.1
3	A	45.2	Very low	47.4	Very low	93 Å²	93	144.5 Å²	144.5	77%	0.769	81%	0.813	S	S	*	*			trans	-130.6	108.7	165.8	0	0	0	0	0	108.2
4	I	47.7	Very low	47.3	Very low	146 Å²	146	147.9 Å²	147.9	75%	0.749	82%	0.815	S	S	*	*			trans	-98.4	113.1	174.3	-64.1	172.1	0	0	0	106.1	L6	I4-L6 PolarHBondContact O-N 2.64Å
5	I	49.3	Very low	47.4	Very low	152 Å²	152	144.3 Å²	144.3	78%	0.779	81%	0.812	S	S	*	*			trans	-86.4	103.4	176.6	-60.6	177	0	0	0	107.7	L7	I5-L7 PolarHBondContact O-N 3.32Å
6	L	46.3	Very low	47.2	Very low	159 Å²	159	139.8 Å²	139.8	83%	0.832	80%	0.799	S	S	*	*			trans	-76.1	110.7	170.5	-91.5	144.6	0	0	0	109.3	I4 A8	I4-L6 PolarHBondContact O-N 2.64Å; L6-A8 PolarHBondContact O-N 2.99Å
7	L	46.3	Very low	46.8	Very low	153 Å²	153	137.2 Å²	137.2	80%	0.801	79%	0.789	S	S	*	*			trans	-78	104.3	172.6	-139.4	87.6	0	0	0	109.1	I5 L9	I5-L7 PolarHBondContact O-N 3.32Å; L7-L9 PolarHBondContact O-N 3.45Å
8	A	51	Low	46.4	Very low	75 Å²	75	137.7 Å²	137.7	62%	0.62	79%	0.787	S	S	*	*			trans	-79.5	106.3	176	0	0	0	0	0	110.5	L6 F10	L6-A8 PolarHBondContact O-N 2.99Å; A8-F10 HydrophobicContact CB-CD2 4.38Å; A8-F10 HydrophobicContact CB-CE2 4.12Å; A8-F10 PolarHBondContact O-N 3.41Å; A8-F10 VanDerWaalsContact O-N 3.14Å
9	L	48.1	Very low	46	Very low	163 Å²	163	137 Å²	137	85%	0.853	78%	0.78	S	S	*	*			trans	-73.5	97.1	171.3	-82.9	160.4	0	0	0	110.2	L7 A11	L7-L9 PolarHBondContact O-N 3.45Å; L9-A11 PolarHBondContact O-N 2.73Å; L9-A11 VanDerWaalsContact O-N 3.1Å
10	F	45.8	Very low	45.6	Very low	184 Å²	184	137.6 Å²	137.6	81%	0.807	78%	0.781	S	S	*	*			trans	-77.2	89.4	166.6	-79.9	-85.6	0	0	0	110.1	A8 V12	A8-F10 HydrophobicContact CB-CD2 4.38Å; A8-F10 HydrophobicContact CB-CE2 4.12Å; A8-F10 PolarHBondContact O-N 3.41Å; A8-F10 VanDerWaalsContact O-N 3.14Å; F10-V12 PolarHBondContact O-N 3.43Å
11	A	48.5	Very low	45.4	Very low	97 Å²	97	139.1 Å²	139.1	80%	0.802	78%	0.781	S	S	*	*			trans	-70.9	92.5	165	0	0	0	0	0	109.1	L9 A13	L9-A11 PolarHBondContact O-N 2.73Å; L9-A11 VanDerWaalsContact O-N 3.1Å; A11-A13 VanDerWaalsContact C-N 3.35Å; A11-A13 PolarHBondContact O-N 3.37Å
12	V	51	Low	45.4	Very low	108 Å²	108	132 Å²	132	66%	0.655	75%	0.749	S	S	*	*			trans	-73.1	93.3	171	-175.9	0	0	0	0	108	F10 F14	F10-V12 PolarHBondContact O-N 3.43Å; V12-F14 VanDerWaalsContact C-N 3.32Å; V12-F14 HydrophobicContact CG1-CD2 3.79Å; V12-F14 HydrophobicContact CG1-CE2 4.02Å; V12-F14 PolarHBondContact O-N 3.23Å
13	A	52.4	Low	45.2	Very low	96 Å²	96	126 Å²	126	79%	0.793	73%	0.726	S	S	*	*			trans	-68.2	93.1	167.4	0	0	0	0	0	108.7	A11 A15	A11-A13 VanDerWaalsContact C-N 3.35Å; A11-A13 PolarHBondContact O-N 3.37Å; A13-A15 PolarHBondContact O-N 3.4Å
14	F	45.6	Very low	45.3	Very low	192 Å²	192	125.1 Å²	125.1	84%	0.842	71%	0.705	S	S	*	*			trans	-66.3	88.9	162.8	-102.9	-89.2	0	0	0	108.2	V12 A16	V12-F14 VanDerWaalsContact C-N 3.32Å; V12-F14 HydrophobicContact CG1-CD2 3.79Å; V12-F14 HydrophobicContact CG1-CE2 4.02Å; V12-F14 PolarHBondContact O-N 3.23Å; F14-A16 PolarHBondContact O-N 3.38Å
15	A	48.9	Very low	45.8	Very low	93 Å²	93	118.1 Å²	118.1	77%	0.769	67%	0.669	S	S	*	*			trans	-67.1	93	156.5	0	0	0	0	0	106.7	A13	A13-A15 PolarHBondContact O-N 3.4Å
16	A	43.9	Very low	46.8	Very low	72 Å²	72	111.9 Å²	111.9	60%	0.595	64%	0.638	S	S	*	*			trans	-59.1	136.5	163.8	0	0	0	0	0	107.8	F14 I18	F14-A16 PolarHBondContact O-N 3.38Å; A16-I18 PolarHBondContact O-N 3.4Å
17	P	40.9	Very low	48.3	Very low	97 Å²	97	105 Å²	105	63%	0.63	61%	0.605	S	S	*	*			trans	-58.7	128.5	165.7	27.3	-32.1	0	0	0	107.5	D19	P17-D19 PolarHBondContact O-N 3.29Å; P17-D19 VanDerWaalsContact O-N 3.07Å
18	I	38.8	Very low	50.3	Low	146 Å²	146	97.7 Å²	97.7	75%	0.749	57%	0.567	S	S	*	*			trans	-78.7	88.1	164.3	-57.3	175.5	0	0	0	104.3	A16 D20	A16-I18 PolarHBondContact O-N 3.4Å; I18-D20 VanDerWaalsContact C-N 3.26Å; I18-D20 PolarHBondContact O-N 3.32Å
19	D	38.5	Very low	52.4	Low	124 Å²	124	98.2 Å²	98.2	66%	0.663	55%	0.553	S	S	*	*			trans	-70.9	88.7	170.3	-72.9	-33.6	0	0	0	107.8	P17 E21	P17-D19 PolarHBondContact O-N 3.29Å; P17-D19 VanDerWaalsContact O-N 3.07Å; D19-E21 PolarHBondContact O-N 3.14Å
20	D	38.7	Very low	54.6	Low	148 Å²	148	94.5 Å²	94.5	79%	0.791	53%	0.532	S	S	*	.			trans	-68.9	60.2	163.3	-79.6	-29.4	0	0	0	109.4	I18 D22	I18-D20 VanDerWaalsContact C-N 3.26Å; I18-D20 PolarHBondContact O-N 3.32Å; D20-D22 PolarHBondContact O-N 3.1Å
21	E	41.7	Very low	57.1	Low	171 Å²	171	85.8 Å²	85.8	80%	0.799	49%	0.494	S	S	*	.			trans	-76.5	74	169.8	-80.6	-152.7	163.2	0	0	110.6	D19	D19-E21 PolarHBondContact O-N 3.14Å
22	D	42.1	Very low	59.3	Low	99 Å²	99	91.1 Å²	91.1	53%	0.529	49%	0.493	S	S	.	.			trans	-115.8	49.5	167.1	-115.6	-36.9	0	0	0	111	D20 K24 R160	D20-D22 PolarHBondContact O-N 3.1Å; D22-K24 IonicContact OD1-NZ 2.84Å; D22-K24 PolarHBondContact OD1-NZ 3.03Å; D22-R160 PolarHBondContact O-NH2 2.99Å
23	D	37.7	Very low	61.3	Low	79 Å²	79	90.1 Å²	90.1	42%	0.422	48%	0.48	S	S	.	.			trans	-91	101.6	-175.1	-118	34.8	0	0	0	111.4	G28 K194	D23-G28 CarbonylContact C-O 3.5Å; D23-G28 WeakPolarHBondContact CA-O 3.35Å; D23-G28 WeakPolarHBondContact CB-O 3.28Å; D23-K194 IonicContact OD2-NZ 3.44Å; D23-K194 PolarHBondContact OD2-NZ 2.9Å
24	K	48	Very low	63	Low	73 Å²	73	87.2 Å²	87.2	32%	0.317	45%	0.451	S	S	.	.	T	Hydrogen-bonded Turn	trans	-154.4	155.1	-172.3	-46.4	176.2	-176.5	140.3	0	108.4	D22 G28 Y29 L148 R160	D22-K24 IonicContact OD1-NZ 2.84Å; D22-K24 PolarHBondContact OD1-NZ 3.03Å; K24-G28 PolarHBondContact N-O 3.38Å; K24-G28 CarbonylContact O-C 3.53Å; K24-G28 VanDerWaalsContact O-C 3.28Å; K24-Y29 CarbonylContact O-C 3.52Å; K24-Y29 PolarHBondContact O-N 2.83Å; K24-L148 HydrophobicContact CB-CB 4.03Å; K24-L148 HydrophobicContact CB-CD1 3.84Å; K24-L148 HydrophobicContact CB-CD2 3.73Å; K24-L148 HydrophobicContact CB-CG 4.02Å; K24-L148 HydrophobicContact CD-CD1 4.07Å; K24-L148 HydrophobicContact CG-CD1 4.38Å; K24-R160 VanDerWaalsContact N-NH2 3.2Å; K24-R160 WeakPolarHBondContact O-CB 3.32Å; K24-R160 VanDerWaalsContact O-CZ 3.27Å; K24-R160 PolarHBondContact O-NE 2.95Å; K24-R160 PolarHBondContact O-NH2 2.86Å
25	I	57.7	Low	65.3	Low	0 Å²	0	81 Å²	81	0%	0	43%	0.431	C	S	.	.	T	Hydrogen-bonded Turn		31.4	151	-78.3	-87.3	167.6	0	0	0	113.7	G27 G28 R160 L162 D195	I25-G27 CarbonylContact O-C 3.53Å; I25-G27 PolarHBondContact O-N 2.8Å; I25-G28 PolarHBondContact O-N 3.29Å; I25-R160 HydrophobicContact CB-CB 4.1Å; I25-R160 HydrophobicContact CD1-CB 3.96Å; I25-R160 WeakPolarHBondContact CD1-O 3.39Å; I25-R160 HydrophobicContact CG1-CB 3.74Å; I25-L162 HydrophobicContact CG2-CB 3.94Å; I25-L162 HydrophobicContact CG2-CD2 4.02Å; I25-D195 WeakPolarHBondContact CG2-O 3.41Å
26	V	70	Confident	67.6	Low	20 Å²	20	76.7 Å²	76.7	12%	0.121	40%	0.396	C	S	.	.	B	Isolated β-bridge	trans	-55.3	107.2	-177.6	-158.7	0	0	0	0	109.6	G28 G193 K194 D195 C197 C221 A222	V26-G28 VanDerWaalsContact C-N 3.26Å; V26-G28 PolarHBondContact O-N 2.96Å; V26-G193 CarbonylContact C-O 3.54Å; V26-K194 VanDerWaalsContact O-CA 3.24Å; V26-K194 WeakPolarHBondContact O-CA 3.48Å; V26-D195 PolarHBondContact O-N 3.44Å; V26-D195 VanDerWaalsContact O-N 3.07Å; V26-C197 HydrophobicContact CG2-CB 4.21Å; V26-C221 HydrophobicContact CG2-CB 4.06Å; V26-A222 HydrophobicContact CB-CB 3.84Å; V26-A222 HydrophobicContact CG1-CB 3.47Å; V26-A222 VanDerWaalsContact CG1-CB 3.47Å; V26-A222 HydrophobicContact CG2-CB 4.48Å
27	G	79.3	Confident	70.2	Confident	14 Å²	14	74.3 Å²	74.3	14%	0.144	38%	0.375	C	S	.	.	T	Hydrogen-bonded Turn	trans	49.8	29.5	-167.7	0	0	0	0	0	117.5	I25 G193 K194	I25-G27 CarbonylContact O-C 3.53Å; I25-G27 PolarHBondContact O-N 2.8Å; G27-G193 PolarHBondContact N-O 2.81Å; G27-K194 WeakPolarHBondContact O-CD 3.2Å; G27-K194 VanDerWaalsContact O-CE 3.25Å; G27-K194 WeakPolarHBondContact O-CE 3.44Å; G27-K194 WeakPolarHBondContact O-CG 3.46Å; G27-K194 PolarHBondContact O-NZ 2.02Å
28	G	88	Confident	72.9	Confident	0 Å²	0	71 Å²	71	0%	0	35%	0.35	C	S	.	.			trans	-93.3	-167.5	161.5	0	0	0	0	0	111.2	D23 K24 I25 V26 C161	D23-G28 CarbonylContact C-O 3.5Å; D23-G28 WeakPolarHBondContact CA-O 3.35Å; D23-G28 WeakPolarHBondContact CB-O 3.28Å; K24-G28 PolarHBondContact N-O 3.38Å; K24-G28 CarbonylContact O-C 3.53Å; K24-G28 VanDerWaalsContact O-C 3.28Å; I25-G28 PolarHBondContact O-N 3.29Å; V26-G28 VanDerWaalsContact C-N 3.26Å; V26-G28 PolarHBondContact O-N 2.96Å; G28-C161 CarbonylContact C-O 3.45Å; G28-C161 WeakPolarHBondContact CA-O 3.42Å
29	Y	93.7	Very high	75.8	Confident	86 Å²	86	64.3 Å²	64.3	34%	0.337	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	171.7	-177.4	56.8	-86.3	0	0	0	111.3	K24 C31 L141 R160 C161 D163	K24-Y29 CarbonylContact O-C 3.52Å; K24-Y29 PolarHBondContact O-N 2.83Å; Y29-C31 PolarHBondContact O-N 2.99Å; Y29-L141 WeakPolarHBondContact OH-CD1 3.26Å; Y29-R160 VanDerWaalsContact C-NH2 3.35Å; Y29-R160 CarbonylContact O-C 3.54Å; Y29-R160 WeakPolarHBondContact O-CA 3.25Å; Y29-R160 PolarHBondContact O-NE 2.76Å; Y29-C161 HydrophobicContact CD2-CB 4.08Å; Y29-C161 HydrophobicContact CE1-CB 4.11Å; Y29-C161 HydrophobicContact CE2-CB 3.56Å; Y29-C161 PolarHBondContact N-O 2.94Å; Y29-C161 PolarHBondContact O-N 2.89Å; Y29-D163 PolarHBondContact OH-OD2 2.86Å
30	E	96.4	Very high	78.7	Confident	85 Å²	85	58.4 Å²	58.4	40%	0.397	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.3	125.2	173.1	-166.4	163.7	133.9	0	0	109.8	R32 H77 T158 R160	E30-R32 PolarHBondContact O-N 3.04Å; E30-H77 IonicContact OE1-CE1 3.9Å; E30-H77 PolarHBondContact OE1-CE1 3.43Å; E30-H77 IonicContact OE1-NE2 3.09Å; E30-H77 PolarHBondContact OE1-NE2 2.83Å; E30-T158 VanDerWaalsContact CD-OG1 3.28Å; E30-T158 WeakPolarHBondContact OE2-CB 3.46Å; E30-T158 PolarHBondContact OE2-OG1 3.39Å; E30-R160 VanDerWaalsContact CA-CZ 3.47Å; E30-R160 VanDerWaalsContact N-CZ 3.3Å; E30-R160 VanDerWaalsContact N-NH2 3.14Å; E30-R160 IonicContact OE2-NH1 3.47Å; E30-R160 PolarHBondContact OE2-NH1 2.9Å
31	C	96.8	Very high	81.5	Confident	1 Å²	1	51.3 Å²	51.3	1%	0.007	25%	0.246	C	C	.	.	P	Polyproline II helix	trans	-57.7	136.6	172.1	-66.1	0	0	0	0	108.9	Y29 K33 H77 L159 R160 C161	Y29-C31 PolarHBondContact O-N 2.99Å; C31-K33 PolarHBondContact O-N 2.76Å; C31-K33 VanDerWaalsContact O-N 3.07Å; C31-H77 PolarHBondContact O-CE1 2.69Å; C31-L159 HydrophobicContact CB-CB 4.41Å; C31-L159 HydrophobicContact CB-CD2 4.27Å; C31-L159 HydrophobicContact CB-CG 4.16Å; C31-L159 WeakPolarHBondContact CB-O 3.38Å; C31-L159 PolarHBondContact N-O 3.18Å; C31-R160 PolarHBondContact SG-O 3.09Å; C31-C161 VanDerWaalsContact CA-SG 3.54Å; C31-C161 HydrophobicContact CB-CB 4.08Å; C31-C161 WeakPolarHBondContact CB-SG 3.38Å; C31-C161 VanDerWaalsContact SG-CA 3.53Å; C31-C161 WeakPolarHBondContact SG-CB 3.33Å; C31-C161 PolarHBondContact SG-N 2.85Å; C31-C161 VanDerWaalsContact SG-N 3.38Å; C31-C161 CovalentContact SG-SG 2.03Å; C31-C161 PolarHBondContact SG-SG 2.91Å
32	R	96	Very high	84.3	Confident	210 Å²	210	43.2 Å²	43.2	79%	0.792	21%	0.208	S	C	*	.	P	Polyproline II helix	trans	-55.5	124.1	166.4	172.6	179.6	173.5	-180	-0.4	107.6	E30 N34 S35	E30-R32 PolarHBondContact O-N 3.04Å; R32-N34 PolarHBondContact O-N 3.4Å; R32-S35 WeakPolarHBondContact O-CB 3.48Å; R32-S35 PolarHBondContact O-N 3.37Å; R32-S35 PolarHBondContact O-OG 2.88Å
33	K	92.8	Very high	86.9	Confident	86 Å²	86	39.1 Å²	39.1	37%	0.374	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	-44.5	126.5	-176.8	179.7	163.5	-177.5	179.9	0	112	C31 S35 H77 E83	C31-K33 PolarHBondContact O-N 2.76Å; C31-K33 VanDerWaalsContact O-N 3.07Å; K33-S35 VanDerWaalsContact C-N 3.33Å; K33-S35 PolarHBondContact O-N 3.47Å; K33-H77 HydrophobicContact CB-CB 4.49Å; K33-H77 HydrophobicContact CD-CB 4.17Å; K33-H77 HydrophobicContact CG-CB 3.79Å; K33-E83 WeakPolarHBondContact CE-OE1 3.5Å; K33-E83 WeakPolarHBondContact CE-OE2 3.43Å; K33-E83 IonicContact NZ-OE1 2.64Å; K33-E83 PolarHBondContact NZ-OE1 2.89Å; K33-E83 IonicContact NZ-OE2 3.32Å; K33-E83 PolarHBondContact NZ-OE2 3Å
34	N	87.5	Confident	89.7	Confident	35 Å²	35	38 Å²	38	19%	0.187	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	67	10.2	-175.7	-53.7	-45.2	0	0	0	117.2	R32 A36 Y123	R32-N34 PolarHBondContact O-N 3.4Å; N34-A36 VanDerWaalsContact C-N 3.3Å; N34-A36 PolarHBondContact O-N 3Å; N34-Y123 HydrophobicContact CB-CD1 4Å; N34-Y123 WeakPolarHBondContact ND2-CD1 2.87Å
35	S	94.1	Very high	91.9	Very high	61 Å²	61	38.5 Å²	38.5	43%	0.427	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.1	-25.8	178.8	68.7	0	0	0	0	114	R32 K33	R32-S35 WeakPolarHBondContact O-CB 3.48Å; R32-S35 PolarHBondContact O-N 3.37Å; R32-S35 PolarHBondContact O-OG 2.88Å; K33-S35 VanDerWaalsContact C-N 3.33Å; K33-S35 PolarHBondContact O-N 3.47Å
36	A	97.2	Very high	93.7	Very high	4 Å²	4	45.3 Å²	45.3	3%	0.033	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	-109.2	57	175.2	0	0	0	0	0	110.4	N34 Y38 Q39 L159	N34-A36 VanDerWaalsContact C-N 3.3Å; N34-A36 PolarHBondContact O-N 3Å; A36-Y38 HydrophobicContact CB-CE2 4.18Å; A36-Y38 PolarHBondContact O-N 3.25Å; A36-Q39 HydrophobicContact CB-CB 4.3Å; A36-Q39 WeakPolarHBondContact O-CB 3.36Å; A36-Q39 PolarHBondContact O-N 2.98Å; A36-L159 HydrophobicContact CB-CD2 4.08Å
37	S	98.1	Very high	95	Very high	21 Å²	21	45.7 Å²	45.7	15%	0.147	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.1	-4.4	-175.4	50.1	0	0	0	0	115.9	Y123 V124 S125	S37-Y123 WeakPolarHBondContact CA-O 3.25Å; S37-Y123 VanDerWaalsContact CB-C 3.5Å; S37-Y123 WeakPolarHBondContact CB-O 3.18Å; S37-V124 WeakPolarHBondContact O-CA 3.35Å; S37-S125 PolarHBondContact O-N 3.44Å; S37-S125 PolarHBondContact OG-OG 3.07Å
38	Y	98.8	Very high	95.8	Very high	28 Å²	28	46.4 Å²	46.4	11%	0.11	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.7	-8.7	169.3	51.7	-102.4	0	0	0	113.9	A36 S52 L53 S125 V127 P204 V206	A36-Y38 HydrophobicContact CB-CE2 4.18Å; A36-Y38 PolarHBondContact O-N 3.25Å; Y38-S52 WeakPolarHBondContact O-CA 3.4Å; Y38-L53 PolarHBondContact O-N 2.85Å; Y38-S125 VanDerWaalsContact CA-O 3.24Å; Y38-S125 WeakPolarHBondContact CA-O 3.45Å; Y38-V127 HydrophobicContact CD1-CB 3.99Å; Y38-V127 HydrophobicContact CD2-CB 4.18Å; Y38-V127 HydrophobicContact CD2-CG1 4.36Å; Y38-V127 HydrophobicContact CG-CB 3.7Å; Y38-V127 HydrophobicContact CG-CG1 4.22Å; Y38-P204 HydrophobicContact CD2-CB 4.3Å; Y38-P204 HydrophobicContact CD2-CG 4.15Å; Y38-P204 HydrophobicContact CE2-CB 3.96Å; Y38-P204 HydrophobicContact CE2-CG 3.73Å; Y38-V206 HydrophobicContact CD2-CG2 4.33Å; Y38-V206 HydrophobicContact CE1-CG2 4.32Å; Y38-V206 HydrophobicContact CE2-CG2 3.52Å; Y38-V206 WeakPolarHBondContact OH-CG2 3.37Å
39	Q	98.9	Very high	96.4	Very high	5 Å²	5	46.7 Å²	46.7	2%	0.023	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.2	132.8	177.1	-176.7	75.3	43.5	0	0	109.9	A36 S143 W145 L159 P204	A36-Q39 HydrophobicContact CB-CB 4.3Å; A36-Q39 WeakPolarHBondContact O-CB 3.36Å; A36-Q39 PolarHBondContact O-N 2.98Å; Q39-S143 PolarHBondContact OE1-O 2.84Å; Q39-S143 VanDerWaalsContact OE1-O 3.12Å; Q39-S143 PolarHBondContact OE1-OG 3.02Å; Q39-W145 HydrophobicContact CG-CE3 4.49Å; Q39-W145 HydrophobicContact CG-CH2 3.5Å; Q39-W145 VanDerWaalsContact CG-CH2 3.5Å; Q39-W145 HydrophobicContact CG-CZ3 3.47Å; Q39-W145 VanDerWaalsContact CG-CZ3 3.47Å; Q39-L159 HydrophobicContact CB-CD2 4.18Å; Q39-L159 HydrophobicContact CG-CD1 3.83Å; Q39-L159 HydrophobicContact CG-CD2 4.02Å; Q39-P204 VanDerWaalsContact OE1-CG 3.22Å
40	A	98.8	Very high	96.6	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	145.1	167.1	0	0	0	0	0	110.5	G50 G51 V59 V72 R73 L74	A40-G50 CarbonylContact O-C 3.6Å; A40-G50 WeakPolarHBondContact O-CA 3.28Å; A40-G51 PolarHBondContact N-O 3.26Å; A40-G51 PolarHBondContact O-N 2.74Å; A40-V59 HydrophobicContact CB-CG1 4.27Å; A40-V72 HydrophobicContact CB-CG1 3.93Å; A40-R73 WeakPolarHBondContact CA-O 3.1Å; A40-L74 HydrophobicContact CB-CD2 3.7Å
41	S	98.8	Very high	96.7	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	122.6	162	157.9	0	0	0	0	108.4	Q43 H47 R73	S41-Q43 WeakPolarHBondContact OG-CG 3.28Å; S41-H47 PolarHBondContact OG-ND1 2.97Å; S41-R73 PolarHBondContact N-O 3.42Å; S41-R73 PolarHBondContact O-N 2.84Å
42	L	98.8	Very high	96.8	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	121.9	173.5	-53.5	-170.8	0	0	0	109.4	F48 C49 G50 S61 I70 V72 M110 I112	L42-F48 VanDerWaalsContact C-CE1 3.5Å; L42-F48 HydrophobicContact CB-CE1 3.87Å; L42-F48 HydrophobicContact CB-CE2 4.22Å; L42-F48 HydrophobicContact CB-CZ 3.67Å; L42-F48 WeakPolarHBondContact O-CD1 3.39Å; L42-F48 WeakPolarHBondContact O-CE1 3.17Å; L42-F48 PolarHBondContact O-N 2.63Å; L42-F48 VanDerWaalsContact O-N 3.1Å; L42-C49 HydrophobicContact CB-CB 4.31Å; L42-C49 WeakPolarHBondContact CB-O 3.43Å; L42-C49 HydrophobicContact CD1-CB 4.13Å; L42-C49 HydrophobicContact CG-CB 4.48Å; L42-C49 PolarHBondContact N-O 3.32Å; L42-G50 WeakPolarHBondContact CD1-O 3.41Å; L42-G50 WeakPolarHBondContact CG-O 3.37Å; L42-S61 VanDerWaalsContact CD1-OG 3.31Å; L42-S61 WeakPolarHBondContact CD1-OG 3.42Å; L42-I70 HydrophobicContact CB-CG2 3.87Å; L42-I70 HydrophobicContact CD2-CG2 4.03Å; L42-I70 HydrophobicContact CG-CG2 4.38Å; L42-V72 HydrophobicContact CD2-CG1 4.48Å; L42-V72 HydrophobicContact CD2-CG2 4.09Å; L42-M110 HydrophobicContact CD1-CE 3.95Å; L42-I112 HydrophobicContact CD1-CD1 3.73Å; L42-I112 HydrophobicContact CD2-CD1 3.61Å; L42-I112 HydrophobicContact CG-CD1 4.35Å
43	Q	98.3	Very high	97	Very high	13 Å²	13	28.6 Å²	28.6	6%	0.061	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	138.6	-170.2	-74.2	-100.5	1.2	0	0	111.6	S41 Y46 Q71 R73	S41-Q43 WeakPolarHBondContact OG-CG 3.28Å; Q43-Y46 WeakPolarHBondContact CA-O 3.25Å; Q43-Y46 VanDerWaalsContact OE1-CA 3.29Å; Q43-Y46 PolarHBondContact OE1-O 3.3Å; Q43-Q71 HydrophobicContact CB-CB 4.25Å; Q43-Q71 PolarHBondContact N-O 2.75Å; Q43-Q71 PolarHBondContact O-N 3.41Å; Q43-R73 HydrophobicContact CB-CG 4.43Å; Q43-R73 HydrophobicContact CG-CG 4Å
44	S	96.4	Very high	97.2	Very high	55 Å²	55	25.4 Å²	25.4	39%	0.385	15%	0.153	S	C	.	.	S	Bend	trans	-143	55.1	176.2	-179.1	0	0	0	0	109.6	Y46	S44-Y46 PolarHBondContact N-O 3.07Å; S44-Y46 PolarHBondContact O-N 3.13Å
45	G	94.3	Very high	97.8	Very high	84 Å²	84	25 Å²	25	87%	0.866	15%	0.153	S	C	*	.	S	Bend	trans	88.2	-25	-166.3	0	0	0	0	0	113.5
46	Y	94.9	Very high	98	Very high	143 Å²	143	24.1 Å²	24.1	56%	0.561	15%	0.146	S	C	*	.	S	Bend	trans	-148	161.7	172.9	59.8	-82.1	0	0	0	109.8	Q43 S44 F48	Q43-Y46 WeakPolarHBondContact CA-O 3.25Å; Q43-Y46 VanDerWaalsContact OE1-CA 3.29Å; Q43-Y46 PolarHBondContact OE1-O 3.3Å; S44-Y46 PolarHBondContact N-O 3.07Å; S44-Y46 PolarHBondContact O-N 3.13Å; Y46-F48 HydrophobicContact CD2-CB 4.22Å; Y46-F48 HydrophobicContact CE2-CB 3.76Å; Y46-F48 PolarHBondContact O-N 3.21Å
47	H	97.4	Very high	98.1	Very high	29 Å²	29	25.7 Å²	25.7	13%	0.134	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.3	125.5	172	174.6	82.5	0	0	0	109.8	S41 C49 I79 W145 G199	S41-H47 PolarHBondContact OG-ND1 2.97Å; H47-C49 PolarHBondContact CE1-O 2.82Å; H47-I79 HydrophobicContact CB-CD1 3.67Å; H47-W145 AromaticContact CE1-CE3 3.67Å; H47-G199 PolarHBondContact NE2-O 3.3Å
48	F	97.1	Very high	98.1	Very high	29 Å²	29	25 Å²	25	13%	0.127	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	-19.2	-178.7	72	-93.4	0	0	0	114.7	L42 Y46 C65 K67 I70	L42-F48 VanDerWaalsContact C-CE1 3.5Å; L42-F48 HydrophobicContact CB-CE1 3.87Å; L42-F48 HydrophobicContact CB-CE2 4.22Å; L42-F48 HydrophobicContact CB-CZ 3.67Å; L42-F48 WeakPolarHBondContact O-CD1 3.39Å; L42-F48 WeakPolarHBondContact O-CE1 3.17Å; L42-F48 PolarHBondContact O-N 2.63Å; L42-F48 VanDerWaalsContact O-N 3.1Å; Y46-F48 HydrophobicContact CD2-CB 4.22Å; Y46-F48 HydrophobicContact CE2-CB 3.76Å; Y46-F48 PolarHBondContact O-N 3.21Å; F48-C65 HydrophobicContact CE2-CB 4.16Å; F48-C65 VanDerWaalsContact CE2-O 3.28Å; F48-C65 WeakPolarHBondContact CE2-O 3.32Å; F48-K67 HydrophobicContact CD1-CD 4.16Å; F48-K67 HydrophobicContact CD2-CD 4.4Å; F48-K67 VanDerWaalsContact CD2-CE 3.44Å; F48-K67 HydrophobicContact CE1-CD 3.73Å; F48-K67 HydrophobicContact CE2-CD 4.02Å; F48-K67 HydrophobicContact CE2-CG 4.3Å; F48-K67 HydrophobicContact CG-CD 4.48Å; F48-K67 VanDerWaalsContact CG-CE 3.44Å; F48-K67 HydrophobicContact CZ-CD 3.66Å; F48-K67 HydrophobicContact CZ-CG 4.14Å; F48-I70 HydrophobicContact CE1-CG2 4.44Å; F48-I70 HydrophobicContact CZ-CD1 4.15Å; F48-I70 HydrophobicContact CZ-CG1 4.11Å; F48-I70 HydrophobicContact CZ-CG2 4.31Å
49	C	98.6	Very high	98.1	Very high	6 Å²	6	23.7 Å²	23.7	4%	0.041	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.9	159.6	177.2	-80.6	0	0	0	0	110.7	L42 H47 C65 S201	L42-C49 HydrophobicContact CB-CB 4.31Å; L42-C49 WeakPolarHBondContact CB-O 3.43Å; L42-C49 HydrophobicContact CD1-CB 4.13Å; L42-C49 HydrophobicContact CG-CB 4.48Å; L42-C49 PolarHBondContact N-O 3.32Å; H47-C49 PolarHBondContact CE1-O 2.82Å; C49-C65 HydrophobicContact CB-CB 3.68Å; C49-C65 WeakPolarHBondContact CB-SG 3.36Å; C49-C65 WeakPolarHBondContact SG-CB 3.37Å; C49-C65 CovalentContact SG-SG 2.03Å; C49-C65 PolarHBondContact SG-SG 3.28Å; C49-S201 CarbonylContact C-O 3.46Å; C49-S201 WeakPolarHBondContact CA-O 3.4Å; C49-S201 WeakPolarHBondContact CB-O 3.16Å
50	G	98.8	Very high	98.1	Very high	1 Å²	1	23.4 Å²	23.4	1%	0.01	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	174.6	165.3	0	0	0	0	0	114.3	A40 L42 S61 S201 G202	A40-G50 CarbonylContact O-C 3.6Å; A40-G50 WeakPolarHBondContact O-CA 3.28Å; L42-G50 WeakPolarHBondContact CD1-O 3.41Å; L42-G50 WeakPolarHBondContact CG-O 3.37Å; G50-S61 PolarHBondContact O-OG 2.88Å; G50-S201 PolarHBondContact N-O 3.4Å; G50-G202 VanDerWaalsContact C-C 3.45Å; G50-G202 CarbonylContact C-O 3.58Å; G50-G202 CarbonylContact O-C 3.57Å; G50-G202 VanDerWaalsContact O-C 3.27Å; G50-G202 WeakPolarHBondContact O-CA 3.38Å
51	G	98.8	Very high	98.1	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160	170.4	171.6	0	0	0	0	0	111.6	A40 V60 G202	A40-G51 PolarHBondContact N-O 3.26Å; A40-G51 PolarHBondContact O-N 2.74Å; G51-V60 CarbonylContact C-O 3.56Å; G51-V60 WeakPolarHBondContact CA-O 3.38Å; G51-G202 WeakPolarHBondContact CA-O 3.16Å; G51-G202 PolarHBondContact N-O 2.83Å
52	S	98.9	Very high	98.1	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	117.6	-179.4	-49.4	0	0	0	0	110.6	Y38 I54 V59 V60 P204 L211	Y38-S52 WeakPolarHBondContact O-CA 3.4Å; S52-I54 PolarHBondContact O-N 3Å; S52-V59 CarbonylContact O-C 3Å; S52-V59 VanDerWaalsContact O-CA 3.27Å; S52-V59 WeakPolarHBondContact O-CA 2.91Å; S52-V60 PolarHBondContact N-O 3.03Å; S52-V60 PolarHBondContact O-N 3.43Å; S52-P204 WeakPolarHBondContact OG-CB 3.25Å; S52-L211 WeakPolarHBondContact OG-CD1 3.43Å
53	L	98.9	Very high	98.1	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.6	116.2	174.8	-167.8	71.2	0	0	0	109.9	Y38 S55 V59 L74 L114 A118 L120 V124 S125 T126 V127	Y38-L53 PolarHBondContact O-N 2.85Å; L53-S55 WeakPolarHBondContact CD1-O 3.4Å; L53-S55 WeakPolarHBondContact CG-O 3.4Å; L53-V59 HydrophobicContact CD1-CG2 3.62Å; L53-L74 HydrophobicContact CB-CD2 4.2Å; L53-L74 HydrophobicContact CD1-CD1 3.99Å; L53-L74 HydrophobicContact CD1-CD2 4.16Å; L53-L74 HydrophobicContact CD2-CD1 4.04Å; L53-L74 HydrophobicContact CD2-CD2 4.33Å; L53-L74 HydrophobicContact CG-CD2 4.47Å; L53-L114 HydrophobicContact CD1-CD1 4.08Å; L53-A118 HydrophobicContact CD2-CB 4.45Å; L53-L120 HydrophobicContact CD2-CD2 3.86Å; L53-V124 HydrophobicContact CD2-CG1 3.72Å; L53-S125 WeakPolarHBondContact CD2-O 3.44Å; L53-T126 HydrophobicContact CD2-CG2 4.36Å; L53-T126 HydrophobicContact CG-CG2 4.3Å; L53-T126 CarbonylContact O-C 3.51Å; L53-T126 VanDerWaalsContact O-CA 3.26Å; L53-T126 WeakPolarHBondContact O-CA 3.24Å; L53-V127 PolarHBondContact O-N 2.81Å
54	I	98.9	Very high	98.2	Very high	20 Å²	20	26 Å²	26	10%	0.103	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	-15.6	-178.1	59.9	155.2	0	0	0	113.4	S52 W58 V60 L111 V127 L129 L211 I240 M244	S52-I54 PolarHBondContact O-N 3Å; I54-W58 HydrophobicContact CD1-CB 4.41Å; I54-W58 HydrophobicContact CG1-CB 4.08Å; I54-W58 WeakPolarHBondContact CG1-O 3.14Å; I54-W58 PolarHBondContact N-O 2.91Å; I54-V60 HydrophobicContact CD1-CG2 3.64Å; I54-V60 HydrophobicContact CG1-CG2 4.03Å; I54-V60 HydrophobicContact CG2-CB 4.34Å; I54-V60 HydrophobicContact CG2-CG2 3.82Å; I54-L111 HydrophobicContact CD1-CD2 3.93Å; I54-V127 HydrophobicContact CG2-CG1 4.19Å; I54-L129 HydrophobicContact CD1-CD1 4.49Å; I54-L129 HydrophobicContact CD1-CD2 4.36Å; I54-L129 HydrophobicContact CG2-CD2 4.12Å; I54-L211 HydrophobicContact CG2-CD2 4.01Å; I54-I240 HydrophobicContact CD1-CG2 3.69Å; I54-M244 HydrophobicContact CD1-CE 4.27Å; I54-M244 HydrophobicContact CD1-SD 3.55Å; I54-M244 VanDerWaalsContact CD1-SD 3.55Å
55	S	98.8	Very high	98.3	Very high	26 Å²	26	23.6 Å²	23.6	18%	0.182	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.1	172.9	164.7	86	0	0	0	0	108.9	L53 T57 W58	L53-S55 WeakPolarHBondContact CD1-O 3.4Å; L53-S55 WeakPolarHBondContact CG-O 3.4Å; S55-T57 PolarHBondContact O-N 2.77Å; S55-T57 PolarHBondContact OG-N 2.86Å; S55-T57 VanDerWaalsContact OG-N 3.16Å; S55-T57 PolarHBondContact OG-OG1 3.1Å; S55-W58 PolarHBondContact N-O 2.92Å; S55-W58 PolarHBondContact O-N 2.93Å; S55-W58 PolarHBondContact OG-N 2.84Å
56	S	98.7	Very high	98.5	Very high	42 Å²	42	24.6 Å²	24.6	29%	0.294	12%	0.117	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.9	-14.8	175	58.5	0	0	0	0	114.1	P117 A118	S56-P117 CarbonylContact O-C 3.47Å; S56-P117 VanDerWaalsContact O-CA 3.28Å; S56-P117 WeakPolarHBondContact O-CA 3.28Å; S56-A118 PolarHBondContact O-N 3.24Å
57	T	98.8	Very high	98.6	Very high	37 Å²	37	20.8 Å²	20.8	23%	0.227	10%	0.103	C	C	.	.	T	Hydrogen-bonded Turn	trans	-122.5	-0.1	-178.1	49	0	0	0	0	114.6	S55 K113 L114 P117	S55-T57 PolarHBondContact O-N 2.77Å; S55-T57 PolarHBondContact OG-N 2.86Å; S55-T57 VanDerWaalsContact OG-N 3.16Å; S55-T57 PolarHBondContact OG-OG1 3.1Å; T57-K113 WeakPolarHBondContact O-CA 3.15Å; T57-L114 PolarHBondContact O-N 2.86Å; T57-P117 HydrophobicContact CG2-CB 3.95Å; T57-P117 HydrophobicContact CG2-CG 3.8Å
58	W	98.9	Very high	98.5	Very high	7 Å²	7	24 Å²	24	3%	0.027	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	133.5	-172.5	-71	96.3	0	0	0	113.5	I54 S55 I95 L111 I112 K113 T243 M244 N247	I54-W58 HydrophobicContact CD1-CB 4.41Å; I54-W58 HydrophobicContact CG1-CB 4.08Å; I54-W58 WeakPolarHBondContact CG1-O 3.14Å; I54-W58 PolarHBondContact N-O 2.91Å; S55-W58 PolarHBondContact N-O 2.92Å; S55-W58 PolarHBondContact O-N 2.93Å; S55-W58 PolarHBondContact OG-N 2.84Å; W58-I95 HydrophobicContact CH2-CD1 3.99Å; W58-I95 HydrophobicContact CZ3-CD1 4.14Å; W58-L111 HydrophobicContact CE3-CB 3.88Å; W58-L111 HydrophobicContact CE3-CD1 4.44Å; W58-L111 HydrophobicContact CE3-CD2 4.36Å; W58-L111 HydrophobicContact CE3-CG 4.48Å; W58-L111 HydrophobicContact CZ3-CB 3.77Å; W58-L111 HydrophobicContact CZ3-CD1 4.36Å; W58-I112 WeakPolarHBondContact CA-O 3.32Å; W58-K113 HydrophobicContact CD2-CB 4.22Å; W58-K113 HydrophobicContact CD2-CG 4.32Å; W58-K113 HydrophobicContact CE3-CB 3.92Å; W58-K113 HydrophobicContact CH2-CB 3.78Å; W58-K113 HydrophobicContact CH2-CD 4.08Å; W58-K113 HydrophobicContact CH2-CG 4.21Å; W58-K113 HydrophobicContact CZ2-CB 4.05Å; W58-K113 HydrophobicContact CZ2-CD 3.67Å; W58-K113 HydrophobicContact CZ2-CG 3.96Å; W58-K113 HydrophobicContact CZ3-CB 3.69Å; W58-K113 HydrophobicContact CZ3-CG 4.46Å; W58-T243 HydrophobicContact CH2-CG2 4.44Å; W58-M244 HydrophobicContact CB-CE 4.1Å; W58-M244 HydrophobicContact CB-CG 4.47Å; W58-M244 HydrophobicContact CB-SD 4.45Å; W58-M244 HydrophobicContact CD2-CG 3.79Å; W58-M244 HydrophobicContact CE3-CG 4.34Å; W58-M244 HydrophobicContact CG-CE 4Å; W58-M244 HydrophobicContact CG-CG 3.86Å; W58-M244 HydrophobicContact CG-SD 4.38Å; W58-M244 HydrophobicContact CZ2-CB 4.44Å; W58-M244 HydrophobicContact CZ2-CG 4.38Å; W58-N247 HydrophobicContact CH2-CB 3.72Å; W58-N247 HydrophobicContact CZ2-CB 3.81Å
59	V	98.9	Very high	98.3	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	136.5	174.9	171.9	0	0	0	0	109.9	A40 S52 L53 V72 L111 I112 L114	A40-V59 HydrophobicContact CB-CG1 4.27Å; S52-V59 CarbonylContact O-C 3Å; S52-V59 VanDerWaalsContact O-CA 3.27Å; S52-V59 WeakPolarHBondContact O-CA 2.91Å; L53-V59 HydrophobicContact CD1-CG2 3.62Å; V59-V72 HydrophobicContact CG2-CG1 3.98Å; V59-L111 CarbonylContact O-C 3.28Å; V59-L111 WeakPolarHBondContact O-CA 3.05Å; V59-I112 HydrophobicContact CB-CB 4.27Å; V59-I112 HydrophobicContact CG1-CD1 4.4Å; V59-I112 PolarHBondContact N-O 2.86Å; V59-I112 PolarHBondContact O-N 3.33Å; V59-L114 HydrophobicContact CG2-CD2 4.3Å
60	V	98.9	Very high	98.3	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92	140.1	166.9	170.8	0	0	0	0	109.2	G51 S52 I54 I109 L111 L211 V214 I240	G51-V60 CarbonylContact C-O 3.56Å; G51-V60 WeakPolarHBondContact CA-O 3.38Å; S52-V60 PolarHBondContact N-O 3.03Å; S52-V60 PolarHBondContact O-N 3.43Å; I54-V60 HydrophobicContact CD1-CG2 3.64Å; I54-V60 HydrophobicContact CG1-CG2 4.03Å; I54-V60 HydrophobicContact CG2-CB 4.34Å; I54-V60 HydrophobicContact CG2-CG2 3.82Å; V60-I109 HydrophobicContact CG1-CD1 3.93Å; V60-I109 HydrophobicContact CG1-CG1 3.97Å; V60-L111 HydrophobicContact CG2-CD2 3.59Å; V60-L211 HydrophobicContact CB-CD2 4.14Å; V60-L211 HydrophobicContact CG1-CD2 4.16Å; V60-L211 HydrophobicContact CG2-CD2 4.47Å; V60-V214 HydrophobicContact CG1-CG2 3.64Å; V60-I240 HydrophobicContact CG2-CD1 4.34Å
61	S	98.9	Very high	98.3	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.1	-174.9	171.5	-175.6	0	0	0	0	109.6	L42 G50 I109 M110 G202	L42-S61 VanDerWaalsContact CD1-OG 3.31Å; L42-S61 WeakPolarHBondContact CD1-OG 3.42Å; G50-S61 PolarHBondContact O-OG 2.88Å; S61-I109 CarbonylContact O-C 3.6Å; S61-I109 WeakPolarHBondContact O-CA 3.49Å; S61-M110 PolarHBondContact N-O 2.93Å; S61-M110 PolarHBondContact O-N 3.29Å; S61-G202 WeakPolarHBondContact OG-CA 3.49Å
62	A	98.9	Very high	98.3	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	17%	0.172	C	C	.	.			trans	-83	144.1	178.9	0	0	0	0	0	111.1	H64 C65 M110 V214	A62-H64 VanDerWaalsContact C-N 3.31Å; A62-H64 PolarHBondContact O-N 3.16Å; A62-C65 VanDerWaalsContact O-CB 3.31Å; A62-C65 WeakPolarHBondContact O-CB 3.43Å; A62-C65 PolarHBondContact O-N 2.86Å; A62-C65 VanDerWaalsContact O-N 3.17Å; A62-M110 WeakPolarHBondContact O-CE 3.02Å; A62-M110 WeakPolarHBondContact O-CG 3.18Å; A62-M110 VanDerWaalsContact O-SD 3.38Å; A62-V214 HydrophobicContact CB-CG1 4.01Å
63	A	98.8	Very high	98.3	Very high	1 Å²	1	37.5 Å²	37.5	1%	0.008	18%	0.181	C	C	.	.	G	3₁₀ helix	trans	-67.1	-31.4	179.8	0	0	0	0	0	112.8	C65 Y66 M96 Y100 D108	A63-C65 PolarHBondContact O-N 2.9Å; A63-Y66 WeakPolarHBondContact O-CB 3.4Å; A63-Y66 PolarHBondContact O-N 2.77Å; A63-M96 HydrophobicContact CB-CB 4.21Å; A63-M96 HydrophobicContact CB-CG 4Å; A63-M96 HydrophobicContact CB-SD 4.35Å; A63-Y100 HydrophobicContact CB-CD1 3.64Å; A63-Y100 HydrophobicContact CB-CD2 3.64Å; A63-Y100 HydrophobicContact CB-CE1 3.94Å; A63-Y100 HydrophobicContact CB-CE2 3.95Å; A63-Y100 HydrophobicContact CB-CG 3.48Å; A63-Y100 VanDerWaalsContact CB-CG 3.48Å; A63-D108 WeakPolarHBondContact CA-OD1 3.43Å; A63-D108 PolarHBondContact N-OD1 3.12Å
64	H	98.6	Very high	98.3	Very high	66 Å²	66	37.5 Å²	37.5	31%	0.306	18%	0.181	S	C	.	.	G	3₁₀ helix	trans	-65.6	-17.4	175	78.9	-99.8	0	0	0	113.3	A62 Y66 Y100 L105 D108 S201 S216	A62-H64 VanDerWaalsContact C-N 3.31Å; A62-H64 PolarHBondContact O-N 3.16Å; H64-Y66 PolarHBondContact O-N 2.98Å; H64-Y100 WeakPolarHBondContact CB-OH 3.43Å; H64-L105 HydrophobicContact CB-CD2 4.25Å; H64-D108 IonicContact CE1-OD2 2.8Å; H64-D108 PolarHBondContact CE1-OD2 2.68Å; H64-D108 IonicContact CG-OD1 3.81Å; H64-D108 IonicContact CG-OD2 3.89Å; H64-D108 PolarHBondContact N-OD1 2.78Å; H64-D108 IonicContact ND1-OD1 3.25Å; H64-D108 PolarHBondContact ND1-OD1 3.45Å; H64-D108 IonicContact ND1-OD2 2.74Å; H64-D108 PolarHBondContact ND1-OD2 2.88Å; H64-S201 PolarHBondContact CE1-OG 2.97Å; H64-S201 WeakPolarHBondContact NE2-CB 3.05Å; H64-S201 PolarHBondContact NE2-OG 3.37Å; H64-S216 PolarHBondContact CE1-O 3.39Å
65	C	98.6	Very high	98.3	Very high	4 Å²	4	36.8 Å²	36.8	3%	0.027	18%	0.178	C	C	.	.	G	3₁₀ helix	trans	-79.3	5.2	170.9	-64.5	0	0	0	0	113.5	F48 C49 A62 A63 K67 M110	F48-C65 HydrophobicContact CE2-CB 4.16Å; F48-C65 VanDerWaalsContact CE2-O 3.28Å; F48-C65 WeakPolarHBondContact CE2-O 3.32Å; C49-C65 HydrophobicContact CB-CB 3.68Å; C49-C65 WeakPolarHBondContact CB-SG 3.36Å; C49-C65 WeakPolarHBondContact SG-CB 3.37Å; C49-C65 CovalentContact SG-SG 2.03Å; C49-C65 PolarHBondContact SG-SG 3.28Å; A62-C65 VanDerWaalsContact O-CB 3.31Å; A62-C65 WeakPolarHBondContact O-CB 3.43Å; A62-C65 PolarHBondContact O-N 2.86Å; A62-C65 VanDerWaalsContact O-N 3.17Å; A63-C65 PolarHBondContact O-N 2.9Å; C65-K67 PolarHBondContact O-N 2.7Å; C65-M110 HydrophobicContact CB-CE 3.68Å
66	Y	98.6	Very high	98.2	Very high	105 Å²	105	36 Å²	36	41%	0.412	17%	0.172	S	C	.	.			trans	-57.4	127.9	-177.2	175	-92.3	0	0	0	113.3	A63 H64 V94 M96	A63-Y66 WeakPolarHBondContact O-CB 3.4Å; A63-Y66 PolarHBondContact O-N 2.77Å; H64-Y66 PolarHBondContact O-N 2.98Å; Y66-V94 HydrophobicContact CD2-CB 4.23Å; Y66-V94 HydrophobicContact CD2-CG1 3.61Å; Y66-V94 HydrophobicContact CE2-CB 4.03Å; Y66-V94 HydrophobicContact CE2-CG1 3.93Å; Y66-M96 HydrophobicContact CD1-CE 4.18Å; Y66-M96 HydrophobicContact CD1-SD 4.47Å; Y66-M96 HydrophobicContact CD2-CE 3.96Å; Y66-M96 HydrophobicContact CD2-CG 3.84Å; Y66-M96 HydrophobicContact CD2-SD 4.07Å; Y66-M96 HydrophobicContact CE2-CE 4.32Å; Y66-M96 HydrophobicContact CG-CE 3.89Å; Y66-M96 HydrophobicContact CG-CG 4.12Å; Y66-M96 HydrophobicContact CG-SD 3.79Å
67	K	98.1	Very high	98.2	Very high	63 Å²	63	34.3 Å²	34.3	27%	0.274	16%	0.159	S	C	.	.			trans	-136.2	152	162.5	-61.1	-178.3	-169.3	-72.4	0	108.4	F48 C65 R69 I70	F48-K67 HydrophobicContact CD1-CD 4.16Å; F48-K67 HydrophobicContact CD2-CD 4.4Å; F48-K67 VanDerWaalsContact CD2-CE 3.44Å; F48-K67 HydrophobicContact CE1-CD 3.73Å; F48-K67 HydrophobicContact CE2-CD 4.02Å; F48-K67 HydrophobicContact CE2-CG 4.3Å; F48-K67 HydrophobicContact CG-CD 4.48Å; F48-K67 VanDerWaalsContact CG-CE 3.44Å; F48-K67 HydrophobicContact CZ-CD 3.66Å; F48-K67 HydrophobicContact CZ-CG 4.14Å; C65-K67 PolarHBondContact O-N 2.7Å; K67-R69 VanDerWaalsContact C-N 3.26Å; K67-R69 PolarHBondContact O-N 2.82Å; K67-I70 HydrophobicContact CB-CD1 4.39Å; K67-I70 HydrophobicContact CB-CG1 3.95Å
68	S	94	Very high	98.1	Very high	98 Å²	98	33.9 Å²	33.9	69%	0.685	16%	0.155	S	C	*	.	S	Bend	trans	-71.3	-18.7	-178.7	57.3	0	0	0	0	114.3
69	R	94.1	Very high	98	Very high	208 Å²	208	35 Å²	35	79%	0.785	16%	0.162	S	C	*	.	S	Bend	trans	-138.3	125.7	172.7	-62.8	-177.3	-177.6	179.2	0.4	108.3	K67	K67-R69 VanDerWaalsContact C-N 3.26Å; K67-R69 PolarHBondContact O-N 2.82Å
70	I	98.6	Very high	97.9	Very high	3 Å²	3	38 Å²	38	2%	0.015	19%	0.187	C	C	.	.			trans	-132.6	127.9	178.4	-60	175.3	0	0	0	107.5	L42 F48 K67 V72 S91 V94 M110 I112	L42-I70 HydrophobicContact CB-CG2 3.87Å; L42-I70 HydrophobicContact CD2-CG2 4.03Å; L42-I70 HydrophobicContact CG-CG2 4.38Å; F48-I70 HydrophobicContact CE1-CG2 4.44Å; F48-I70 HydrophobicContact CZ-CD1 4.15Å; F48-I70 HydrophobicContact CZ-CG1 4.11Å; F48-I70 HydrophobicContact CZ-CG2 4.31Å; K67-I70 HydrophobicContact CB-CD1 4.39Å; K67-I70 HydrophobicContact CB-CG1 3.95Å; I70-V72 HydrophobicContact CG2-CG2 4.35Å; I70-S91 PolarHBondContact N-OG 3.38Å; I70-S91 VanDerWaalsContact N-OG 3.12Å; I70-S91 WeakPolarHBondContact O-CB 3.1Å; I70-S91 PolarHBondContact O-N 3.36Å; I70-S91 PolarHBondContact O-OG 2.92Å; I70-V94 HydrophobicContact CD1-CG1 4.21Å; I70-V94 HydrophobicContact CD1-CG2 4.03Å; I70-V94 HydrophobicContact CG1-CG2 4.42Å; I70-M110 HydrophobicContact CD1-CE 4.15Å; I70-I112 HydrophobicContact CD1-CD1 4.01Å; I70-I112 HydrophobicContact CG2-CD1 4.4Å
71	Q	98.7	Very high	97.7	Very high	59 Å²	59	41.9 Å²	41.9	28%	0.276	21%	0.21	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	120.1	161.6	-179.3	171	95.4	0	0	107.7	Q43 R73 F88 D90	Q43-Q71 HydrophobicContact CB-CB 4.25Å; Q43-Q71 PolarHBondContact N-O 2.75Å; Q43-Q71 PolarHBondContact O-N 3.41Å; Q71-R73 HydrophobicContact CG-CG 4.25Å; Q71-F88 HydrophobicContact CG-CB 4.43Å; Q71-D90 PolarHBondContact NE2-OD1 2.03Å
72	V	98.8	Very high	97.6	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	126.8	171.7	-177.4	0	0	0	0	107.5	A40 L42 V59 I70 L74 I89 I112 L114	A40-V72 HydrophobicContact CB-CG1 3.93Å; L42-V72 HydrophobicContact CD2-CG1 4.48Å; L42-V72 HydrophobicContact CD2-CG2 4.09Å; V59-V72 HydrophobicContact CG2-CG1 3.98Å; I70-V72 HydrophobicContact CG2-CG2 4.35Å; V72-L74 HydrophobicContact CG1-CD2 3.94Å; V72-L74 HydrophobicContact CG1-CG 4.07Å; V72-I89 WeakPolarHBondContact CB-O 3.41Å; V72-I89 PolarHBondContact N-O 3.31Å; V72-I89 PolarHBondContact O-N 3.39Å; V72-I112 HydrophobicContact CG2-CD1 4.41Å; V72-I112 HydrophobicContact CG2-CG2 3.96Å; V72-L114 HydrophobicContact CB-CD2 3.73Å; V72-L114 HydrophobicContact CG1-CD2 4.05Å; V72-L114 HydrophobicContact CG2-CD2 3.54Å
73	R	98.7	Very high	97.5	Very high	49 Å²	49	50.2 Å²	50.2	19%	0.185	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	126.9	171.5	-56.2	-166.2	-178.7	177.1	2	109.8	A40 S41 Q43 Q71 E76 Q87 F88	A40-R73 WeakPolarHBondContact CA-O 3.1Å; S41-R73 PolarHBondContact N-O 3.42Å; S41-R73 PolarHBondContact O-N 2.84Å; Q43-R73 HydrophobicContact CB-CG 4.43Å; Q43-R73 HydrophobicContact CG-CG 4Å; Q71-R73 HydrophobicContact CG-CG 4.25Å; R73-E76 HydrophobicContact CB-CG 3.76Å; R73-E76 WeakPolarHBondContact CD-OE1 3.26Å; R73-E76 IonicContact CZ-OE1 3.86Å; R73-E76 IonicContact NE-OE1 3.3Å; R73-E76 IonicContact NH1-OE1 2.63Å; R73-E76 PolarHBondContact NH1-OE1 3Å; R73-E76 VanDerWaalsContact NH1-OE1 3.09Å; R73-Q87 WeakPolarHBondContact CA-O 3.13Å; R73-F88 HydrophobicContact CB-CD1 3.94Å; R73-F88 HydrophobicContact CB-CE1 4.26Å; R73-F88 HydrophobicContact CG-CD1 3.53Å; R73-F88 HydrophobicContact CG-CE1 3.99Å; R73-F88 HydrophobicContact CG-CG 4.35Å
74	L	98.8	Very high	97.4	Very high	0 Å²	0	53.1 Å²	53.1	0%	0	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	152.1	-178.5	-56.9	168.6	0	0	0	108.7	A40 L53 V72 E76 E86 Q87 I89 L114 A118 V124	A40-L74 HydrophobicContact CB-CD2 3.7Å; L53-L74 HydrophobicContact CB-CD2 4.2Å; L53-L74 HydrophobicContact CD1-CD1 3.99Å; L53-L74 HydrophobicContact CD1-CD2 4.16Å; L53-L74 HydrophobicContact CD2-CD1 4.04Å; L53-L74 HydrophobicContact CD2-CD2 4.33Å; L53-L74 HydrophobicContact CG-CD2 4.47Å; V72-L74 HydrophobicContact CG1-CD2 3.94Å; V72-L74 HydrophobicContact CG1-CG 4.07Å; L74-E76 PolarHBondContact O-N 2.74Å; L74-E86 CarbonylContact O-C 3.47Å; L74-E86 VanDerWaalsContact O-CA 3.26Å; L74-E86 WeakPolarHBondContact O-CA 3.17Å; L74-Q87 HydrophobicContact CB-CB 4.39Å; L74-Q87 PolarHBondContact N-O 2.81Å; L74-Q87 PolarHBondContact O-N 2.96Å; L74-I89 HydrophobicContact CD1-CD1 4.39Å; L74-L114 HydrophobicContact CD1-CD1 4.37Å; L74-A118 HydrophobicContact CD1-CB 3.58Å; L74-V124 HydrophobicContact CB-CG1 3.93Å; L74-V124 HydrophobicContact CB-CG2 3.85Å; L74-V124 HydrophobicContact CD1-CG1 3.96Å; L74-V124 HydrophobicContact CG-CG1 4.48Å
75	G	98.4	Very high	97.4	Very high	4 Å²	4	51 Å²	51	4%	0.041	28%	0.275	C	S	.	.	S	Bend	trans	72.5	18.9	179.1	0	0	0	0	0	113.9	T85	G75-T85 WeakPolarHBondContact O-CB 3.39Å; G75-T85 PolarHBondContact O-OG1 3.41Å
76	E	98.3	Very high	97.4	Very high	10 Å²	10	52.2 Å²	52.2	5%	0.047	28%	0.28	C	S	.	.			trans	-79.9	136.7	171.9	-68.2	-88.9	-152.8	0	0	109.7	R73 L74 I79 E86 W145	R73-E76 HydrophobicContact CB-CG 3.76Å; R73-E76 WeakPolarHBondContact CD-OE1 3.26Å; R73-E76 IonicContact CZ-OE1 3.86Å; R73-E76 IonicContact NE-OE1 3.3Å; R73-E76 IonicContact NH1-OE1 2.63Å; R73-E76 PolarHBondContact NH1-OE1 3Å; R73-E76 VanDerWaalsContact NH1-OE1 3.09Å; L74-E76 PolarHBondContact O-N 2.74Å; E76-I79 HydrophobicContact CB-CG2 4.02Å; E76-I79 HydrophobicContact CG-CG2 4.23Å; E76-E86 HydrophobicContact CG-CG 4.25Å; E76-W145 HydrophobicContact CB-CH2 4.03Å; E76-W145 HydrophobicContact CB-CZ2 3.8Å
77	H	97.9	Very high	97.4	Very high	6 Å²	6	48.7 Å²	48.7	3%	0.028	27%	0.267	C	S	.	.	S	Bend	trans	-117.6	-55.1	157.2	175.8	76.1	0	0	0	109.8	E30 C31 K33 E83 W145 T158 L159	E30-H77 IonicContact OE1-CE1 3.9Å; E30-H77 PolarHBondContact OE1-CE1 3.43Å; E30-H77 IonicContact OE1-NE2 3.09Å; E30-H77 PolarHBondContact OE1-NE2 2.83Å; C31-H77 PolarHBondContact O-CE1 2.69Å; K33-H77 HydrophobicContact CB-CB 4.49Å; K33-H77 HydrophobicContact CD-CB 4.17Å; K33-H77 HydrophobicContact CG-CB 3.79Å; H77-E83 WeakPolarHBondContact CB-OE2 3.42Å; H77-W145 PolarHBondContact O-NE1 3Å; H77-T158 CarbonylContact O-C 3.58Å; H77-T158 WeakPolarHBondContact O-CA 3.44Å; H77-L159 PolarHBondContact O-N 3.17Å
78	N	97.4	Very high	97.4	Very high	28 Å²	28	49.5 Å²	49.5	15%	0.15	27%	0.271	C	S	.	.	B	Isolated β-bridge	trans	-97.4	104.3	170.3	-173.4	-50	0	0	0	111.9	A80 V81 E83 D157 T158	N78-A80 PolarHBondContact O-N 2.86Å; N78-A80 WeakPolarHBondContact OD1-CB 3.24Å; N78-A80 PolarHBondContact OD1-N 3.12Å; N78-V81 HydrophobicContact CB-CG2 3.87Å; N78-V81 PolarHBondContact O-N 3.38Å; N78-V81 PolarHBondContact OD1-N 3.02Å; N78-E83 HydrophobicContact CB-CG 4.47Å; N78-E83 PolarHBondContact N-OE2 3.27Å; N78-D157 CarbonylContact C-O 3.5Å; N78-D157 VanDerWaalsContact CA-O 3.25Å; N78-D157 WeakPolarHBondContact CA-O 3.48Å; N78-D157 WeakPolarHBondContact OD1-CB 3.32Å; N78-T158 HydrophobicContact CB-CG2 4.3Å
79	I	96.4	Very high	97.6	Very high	30 Å²	30	45 Å²	45	15%	0.154	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.9	-4.8	-175.1	55.5	162.5	0	0	0	115.1	H47 E76 W145 D157	H47-I79 HydrophobicContact CB-CD1 3.67Å; E76-I79 HydrophobicContact CB-CG2 4.02Å; E76-I79 HydrophobicContact CG-CG2 4.23Å; I79-W145 HydrophobicContact CD1-CB 3.98Å; I79-W145 HydrophobicContact CD1-CG 3.93Å; I79-W145 HydrophobicContact CG1-CG 4.23Å; I79-W145 HydrophobicContact CG2-CD2 3.96Å; I79-W145 VanDerWaalsContact CG2-CE2 3.47Å; I79-W145 HydrophobicContact CG2-CG 4.31Å; I79-W145 HydrophobicContact CG2-CH2 4.35Å; I79-W145 HydrophobicContact CG2-CZ2 3.71Å; I79-D157 WeakPolarHBondContact CG1-O 3.34Å; I79-D157 PolarHBondContact N-O 2.7Å
80	A	95.4	Very high	97.9	Very high	64 Å²	64	39.3 Å²	39.3	53%	0.529	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.9	-12.3	178.5	0	0	0	0	0	113.5	N78 D157	N78-A80 PolarHBondContact O-N 2.86Å; N78-A80 WeakPolarHBondContact OD1-CB 3.24Å; N78-A80 PolarHBondContact OD1-N 3.12Å; A80-D157 HydrophobicContact CB-CB 3.93Å; A80-D157 WeakPolarHBondContact CB-OD1 3.31Å
81	V	96.2	Very high	97.9	Very high	82 Å²	82	40.2 Å²	40.2	50%	0.497	23%	0.231	S	C	.	.	S	Bend	trans	-129.2	173.7	178.8	-58.8	0	0	0	0	111.4	N78 E83	N78-V81 HydrophobicContact CB-CG2 3.87Å; N78-V81 PolarHBondContact O-N 3.38Å; N78-V81 PolarHBondContact OD1-N 3.02Å; V81-E83 HydrophobicContact CG2-CG 3.74Å
82	N	95.9	Very high	97.8	Very high	113 Å²	113	41.9 Å²	41.9	60%	0.604	25%	0.245	S	C	*	.			trans	-105.9	117.4	168.9	-175.6	-71.5	0	0	0	107.9	G84 E86	N82-G84 PolarHBondContact OD1-N 3.24Å; N82-E86 PolarHBondContact ND2-OE2 2.91Å; N82-E86 PolarHBondContact OD1-OE2 3.24Å
83	E	96.9	Very high	97.8	Very high	61 Å²	61	46.8 Å²	46.8	29%	0.285	27%	0.266	S	S	.	.			trans	-101.1	-2.2	-177.2	-49.4	-168.5	91.1	0	0	112.7	K33 H77 N78 V81 E86	K33-E83 WeakPolarHBondContact CE-OE1 3.5Å; K33-E83 WeakPolarHBondContact CE-OE2 3.43Å; K33-E83 IonicContact NZ-OE1 2.64Å; K33-E83 PolarHBondContact NZ-OE1 2.89Å; K33-E83 IonicContact NZ-OE2 3.32Å; K33-E83 PolarHBondContact NZ-OE2 3Å; H77-E83 WeakPolarHBondContact CB-OE2 3.42Å; N78-E83 HydrophobicContact CB-CG 4.47Å; N78-E83 PolarHBondContact N-OE2 3.27Å; V81-E83 HydrophobicContact CG2-CG 3.74Å; E83-E86 VanDerWaalsContact CA-OE1 3.32Å; E83-E86 WeakPolarHBondContact CA-OE1 3.46Å; E83-E86 VanDerWaalsContact CB-OE1 3.28Å; E83-E86 WeakPolarHBondContact CB-OE1 3.49Å; E83-E86 PolarHBondContact N-OE1 3.16Å
84	G	97.6	Very high	97.8	Very high	63 Å²	63	45.6 Å²	45.6	65%	0.649	26%	0.264	S	S	*	.	S	Bend	trans	86.8	5.4	174.2	0	0	0	0	0	114.7	N82 E86	N82-G84 PolarHBondContact OD1-N 3.24Å; G84-E86 PolarHBondContact N-OE1 2.8Å; G84-E86 PolarHBondContact N-OE2 3.49Å
85	T	97.7	Very high	97.8	Very high	21 Å²	21	47.2 Å²	47.2	13%	0.129	27%	0.273	C	S	.	.			trans	-103.8	-7.1	178.5	47	0	0	0	0	113.5	G75 Y123	G75-T85 WeakPolarHBondContact O-CB 3.39Å; G75-T85 PolarHBondContact O-OG1 3.41Å; T85-Y123 HydrophobicContact CG2-CD1 4.05Å; T85-Y123 HydrophobicContact CG2-CD2 3.48Å; T85-Y123 VanDerWaalsContact CG2-CD2 3.48Å; T85-Y123 HydrophobicContact CG2-CE1 4.21Å; T85-Y123 HydrophobicContact CG2-CE2 3.67Å; T85-Y123 HydrophobicContact CG2-CG 3.66Å
86	E	98.6	Very high	97.8	Very high	29 Å²	29	50.4 Å²	50.4	14%	0.136	29%	0.287	C	S	.	.			trans	-80.7	150.1	-164.9	-52.1	73.6	-160.1	0	0	113.7	L74 E76 N82 E83 G84 F88	L74-E86 CarbonylContact O-C 3.47Å; L74-E86 VanDerWaalsContact O-CA 3.26Å; L74-E86 WeakPolarHBondContact O-CA 3.17Å; E76-E86 HydrophobicContact CG-CG 4.25Å; N82-E86 PolarHBondContact ND2-OE2 2.91Å; N82-E86 PolarHBondContact OD1-OE2 3.24Å; E83-E86 VanDerWaalsContact CA-OE1 3.32Å; E83-E86 WeakPolarHBondContact CA-OE1 3.46Å; E83-E86 VanDerWaalsContact CB-OE1 3.28Å; E83-E86 WeakPolarHBondContact CB-OE1 3.49Å; E83-E86 PolarHBondContact N-OE1 3.16Å; G84-E86 PolarHBondContact N-OE1 2.8Å; G84-E86 PolarHBondContact N-OE2 3.49Å; E86-F88 HydrophobicContact CB-CD1 4.06Å; E86-F88 HydrophobicContact CB-CE1 3.38Å; E86-F88 HydrophobicContact CB-CZ 3.89Å; E86-F88 HydrophobicContact CG-CE1 3.91Å; E86-F88 HydrophobicContact CG-CZ 4.26Å
87	Q	98.7	Very high	97.9	Very high	31 Å²	31	51.1 Å²	51.1	15%	0.145	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	112.7	168.7	-63.7	178	52	0	0	109.5	R73 L74 I89 S119	R73-Q87 WeakPolarHBondContact CA-O 3.13Å; L74-Q87 HydrophobicContact CB-CB 4.39Å; L74-Q87 PolarHBondContact N-O 2.81Å; L74-Q87 PolarHBondContact O-N 2.96Å; Q87-I89 HydrophobicContact CB-CD1 4.38Å; Q87-I89 HydrophobicContact CB-CG1 4.48Å; Q87-S119 PolarHBondContact NE2-O 2.77Å
88	F	98.6	Very high	97.9	Very high	81 Å²	81	56 Å²	56	36%	0.355	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	118.3	176.1	-50.1	-26.8	0	0	0	109.2	Q71 R73 E86	Q71-F88 HydrophobicContact CG-CB 4.43Å; R73-F88 HydrophobicContact CB-CD1 3.94Å; R73-F88 HydrophobicContact CB-CE1 4.26Å; R73-F88 HydrophobicContact CG-CD1 3.53Å; R73-F88 HydrophobicContact CG-CE1 3.99Å; R73-F88 HydrophobicContact CG-CG 4.35Å; E86-F88 HydrophobicContact CB-CD1 4.06Å; E86-F88 HydrophobicContact CB-CE1 3.38Å; E86-F88 HydrophobicContact CB-CZ 3.89Å; E86-F88 HydrophobicContact CG-CE1 3.91Å; E86-F88 HydrophobicContact CG-CZ 4.26Å
89	I	98.8	Very high	98	Very high	4 Å²	4	58.1 Å²	58.1	2%	0.021	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139	117.8	-173.5	-50.8	179.2	0	0	0	109.6	V72 L74 Q87 L114 S115 K116 A118	V72-I89 WeakPolarHBondContact CB-O 3.41Å; V72-I89 PolarHBondContact N-O 3.31Å; V72-I89 PolarHBondContact O-N 3.39Å; L74-I89 HydrophobicContact CD1-CD1 4.39Å; Q87-I89 HydrophobicContact CB-CD1 4.38Å; Q87-I89 HydrophobicContact CB-CG1 4.48Å; I89-L114 HydrophobicContact CD1-CD1 4.3Å; I89-L114 HydrophobicContact CG2-CB 3.85Å; I89-L114 HydrophobicContact CG2-CD2 4.35Å; I89-L114 HydrophobicContact CG2-CG 4.47Å; I89-S115 WeakPolarHBondContact CG2-OG 3.41Å; I89-K116 HydrophobicContact CD1-CG 4.48Å; I89-K116 HydrophobicContact CG2-CG 3.79Å; I89-A118 HydrophobicContact CD1-CB 3.86Å
90	D	98.8	Very high	98.1	Very high	87 Å²	87	59.2 Å²	59.2	47%	0.465	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.1	148.8	179	-60.6	-33.7	0	0	0	111.8	Q71 S115	Q71-D90 PolarHBondContact NE2-OD1 2.03Å; D90-S115 WeakPolarHBondContact O-CB 3.33Å; D90-S115 PolarHBondContact O-N 2.85Å; D90-S115 PolarHBondContact O-OG 2.88Å
91	S	98.6	Very high	98.2	Very high	22 Å²	22	59.3 Å²	59.3	15%	0.154	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.9	130.9	172.4	64	0	0	0	0	111.9	I70 K113	I70-S91 PolarHBondContact N-OG 3.38Å; I70-S91 VanDerWaalsContact N-OG 3.12Å; I70-S91 WeakPolarHBondContact O-CB 3.1Å; I70-S91 PolarHBondContact O-N 3.36Å; I70-S91 PolarHBondContact O-OG 2.92Å; S91-K113 CarbonylContact C-O 3.49Å; S91-K113 WeakPolarHBondContact CA-O 3.31Å
92	V	98.4	Very high	98.3	Very high	95 Å²	95	59.5 Å²	59.5	58%	0.576	34%	0.339	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-91.3	-20.7	163.2	-76.7	0	0	0	0	113	K113	V92-K113 HydrophobicContact CG2-CB 4.1Å; V92-K113 HydrophobicContact CG2-CD 4.25Å; V92-K113 HydrophobicContact CG2-CG 3.89Å; V92-K113 WeakPolarHBondContact CG2-O 3.26Å; V92-K113 PolarHBondContact N-O 2.84Å
93	K	98.3	Very high	98.4	Very high	102 Å²	102	65.3 Å²	65.3	44%	0.443	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.1	139.8	177.4	-146.6	163.1	-175.4	173.4	0	110.5	I95 I112 K113 N247	K93-I95 HydrophobicContact CD-CD1 4.04Å; K93-I95 HydrophobicContact CD-CG1 4.31Å; K93-I95 HydrophobicContact CG-CD1 4.14Å; K93-I95 HydrophobicContact CG-CG1 3.9Å; K93-I112 CarbonylContact O-C 3.27Å; K93-I112 WeakPolarHBondContact O-CA 3.36Å; K93-K113 HydrophobicContact CB-CB 3.98Å; K93-K113 PolarHBondContact N-O 2.95Å; K93-K113 PolarHBondContact O-N 2.7Å; K93-N247 WeakPolarHBondContact CE-OD1 3.42Å; K93-N247 PolarHBondContact NZ-OD1 3.31Å
94	V	98.6	Very high	98.4	Very high	24 Å²	24	65.7 Å²	65.7	15%	0.145	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	120.3	172.4	-173.6	0	0	0	0	106.9	Y66 I70 M110 I112	Y66-V94 HydrophobicContact CD2-CB 4.23Å; Y66-V94 HydrophobicContact CD2-CG1 3.61Å; Y66-V94 HydrophobicContact CE2-CB 4.03Å; Y66-V94 HydrophobicContact CE2-CG1 3.93Å; I70-V94 HydrophobicContact CD1-CG1 4.21Å; I70-V94 HydrophobicContact CD1-CG2 4.03Å; I70-V94 HydrophobicContact CG1-CG2 4.42Å; V94-M110 HydrophobicContact CG1-CE 4.48Å; V94-M110 HydrophobicContact CG1-SD 3.57Å; V94-M110 VanDerWaalsContact CG1-SD 3.57Å; V94-I112 HydrophobicContact CG1-CG1 4.29Å; V94-I112 HydrophobicContact CG2-CG2 4.38Å
95	I	98.8	Very high	98.4	Very high	35 Å²	35	64.5 Å²	64.5	18%	0.179	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	100.1	-168	-50.9	174.7	0	0	0	108.2	W58 K93 M110 L111 W239 T243 N247	W58-I95 HydrophobicContact CH2-CD1 3.99Å; W58-I95 HydrophobicContact CZ3-CD1 4.14Å; K93-I95 HydrophobicContact CD-CD1 4.04Å; K93-I95 HydrophobicContact CD-CG1 4.31Å; K93-I95 HydrophobicContact CG-CD1 4.14Å; K93-I95 HydrophobicContact CG-CG1 3.9Å; I95-M110 CarbonylContact O-C 3.5Å; I95-M110 WeakPolarHBondContact O-CA 3.37Å; I95-M110 WeakPolarHBondContact O-CB 3.33Å; I95-L111 PolarHBondContact N-O 2.99Å; I95-L111 PolarHBondContact O-N 3.36Å; I95-W239 HydrophobicContact CG2-CZ2 4.43Å; I95-T243 HydrophobicContact CB-CG2 4.44Å; I95-T243 HydrophobicContact CD1-CG2 3.57Å; I95-T243 HydrophobicContact CG2-CG2 4.09Å; I95-N247 HydrophobicContact CD1-CB 4.47Å
96	M	98.8	Very high	98.5	Very high	70 Å²	70	64.9 Å²	64.9	35%	0.345	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.5	152.2	168.3	-65.8	-177.5	-75.5	0	0	110.5	A63 Y66 Y100 M110	A63-M96 HydrophobicContact CB-CB 4.21Å; A63-M96 HydrophobicContact CB-CG 4Å; A63-M96 HydrophobicContact CB-SD 4.35Å; Y66-M96 HydrophobicContact CD1-CE 4.18Å; Y66-M96 HydrophobicContact CD1-SD 4.47Å; Y66-M96 HydrophobicContact CD2-CE 3.96Å; Y66-M96 HydrophobicContact CD2-CG 3.84Å; Y66-M96 HydrophobicContact CD2-SD 4.07Å; Y66-M96 HydrophobicContact CE2-CE 4.32Å; Y66-M96 HydrophobicContact CG-CE 3.89Å; Y66-M96 HydrophobicContact CG-CG 4.12Å; Y66-M96 HydrophobicContact CG-SD 3.79Å; M96-Y100 HydrophobicContact SD-CD1 3.89Å; M96-Y100 HydrophobicContact SD-CE1 4.23Å; M96-M110 HydrophobicContact CG-CB 4.34Å
97	H	98.9	Very high	98.5	Very high	25 Å²	25	64.3 Å²	64.3	12%	0.116	33%	0.334	C	S	.	.			trans	-57	133.5	168.9	-168.2	-91.3	0	0	0	110.3	S99 Y100 N107 I109 Y236 W239	H97-S99 PolarHBondContact ND1-N 3.49Å; H97-S99 PolarHBondContact O-N 2.97Å; H97-S99 VanDerWaalsContact O-N 3.07Å; H97-Y100 VanDerWaalsContact O-CB 3.31Å; H97-Y100 WeakPolarHBondContact O-CB 3.22Å; H97-Y100 PolarHBondContact O-N 2.97Å; H97-N107 HydrophobicContact CB-CB 4.18Å; H97-N107 WeakPolarHBondContact ND1-CB 3.41Å; H97-I109 HydrophobicContact CB-CG2 3.83Å; H97-I109 WeakPolarHBondContact CB-O 3.5Å; H97-I109 PolarHBondContact N-O 2.66Å; H97-Y236 AromaticContact CD2-CD1 3.61Å; H97-Y236 AromaticContact CD2-CE1 3.63Å; H97-Y236 AromaticContact NE2-CD1 3.7Å; H97-Y236 AromaticContact NE2-CE1 3.57Å; H97-W239 HydrophobicContact CB-CH2 4.46Å; H97-W239 HydrophobicContact CB-CZ2 4.26Å; H97-W239 AromaticContact CD2-CD1 3.94Å; H97-W239 AromaticContact CD2-CD2 3.47Å; H97-W239 VanDerWaalsContact CD2-CD2 3.47Å; H97-W239 AromaticContact CD2-CE2 3.71Å; H97-W239 AromaticContact CD2-CE3 3.85Å; H97-W239 AromaticContact CD2-CG 3.66Å; H97-W239 AromaticContact CD2-NE1 3.96Å; H97-W239 AromaticContact NE2-CG 3.9Å
98	P	98.6	Very high	98.5	Very high	110 Å²	110	62.9 Å²	62.9	71%	0.714	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.9	-19.4	-173.8	25.2	-35.7	0	0	0	113.9
99	S	98.7	Very high	98.5	Very high	71 Å²	71	59 Å²	59	50%	0.497	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103.2	15.4	176	-45.4	0	0	0	0	113.7	H97 N101 N107	H97-S99 PolarHBondContact ND1-N 3.49Å; H97-S99 PolarHBondContact O-N 2.97Å; H97-S99 VanDerWaalsContact O-N 3.07Å; S99-N101 PolarHBondContact O-N 2.88Å; S99-N107 PolarHBondContact O-ND2 3.47Å
100	Y	98.8	Very high	98.5	Very high	53 Å²	53	58.8 Å²	58.8	21%	0.208	31%	0.31	C	S	.	.			trans	-60.2	129.6	175	170.6	-124.3	0	0	0	111	A63 H64 M96 H97 L105 D106 D108	A63-Y100 HydrophobicContact CB-CD1 3.64Å; A63-Y100 HydrophobicContact CB-CD2 3.64Å; A63-Y100 HydrophobicContact CB-CE1 3.94Å; A63-Y100 HydrophobicContact CB-CE2 3.95Å; A63-Y100 HydrophobicContact CB-CG 3.48Å; A63-Y100 VanDerWaalsContact CB-CG 3.48Å; H64-Y100 WeakPolarHBondContact CB-OH 3.43Å; M96-Y100 HydrophobicContact SD-CD1 3.89Å; M96-Y100 HydrophobicContact SD-CE1 4.23Å; H97-Y100 VanDerWaalsContact O-CB 3.31Å; H97-Y100 WeakPolarHBondContact O-CB 3.22Å; H97-Y100 PolarHBondContact O-N 2.97Å; Y100-L105 HydrophobicContact CE2-CD2 4.03Å; Y100-L105 WeakPolarHBondContact OH-CD2 3.47Å; Y100-D106 WeakPolarHBondContact CA-O 3.32Å; Y100-D108 HydrophobicContact CD2-CB 4.24Å; Y100-D108 HydrophobicContact CE2-CB 4.04Å
101	N	98.6	Very high	98.5	Very high	66 Å²	66	54.7 Å²	54.7	35%	0.353	29%	0.287	S	S	.	.	B	Isolated β-bridge	trans	-121.4	105.3	179	179.5	-6.1	0	0	0	110.5	S99 R103 N104 L105 D106	S99-N101 PolarHBondContact O-N 2.88Å; N101-R103 PolarHBondContact O-N 2.8Å; N101-R103 VanDerWaalsContact O-N 3.07Å; N101-R103 WeakPolarHBondContact OD1-CB 3.5Å; N101-R103 PolarHBondContact OD1-N 2.88Å; N101-N104 VanDerWaalsContact CB-OD1 3.27Å; N101-N104 WeakPolarHBondContact CB-OD1 3.3Å; N101-N104 PolarHBondContact ND2-OD1 3.45Å; N101-N104 PolarHBondContact O-N 3.28Å; N101-N104 PolarHBondContact O-OD1 2.99Å; N101-L105 VanDerWaalsContact O-CA 3.3Å; N101-L105 WeakPolarHBondContact O-CA 3.23Å; N101-L105 PolarHBondContact O-N 2.91Å; N101-D106 PolarHBondContact N-O 3.37Å
102	S	97.8	Very high	98.5	Very high	86 Å²	86	53.6 Å²	53.6	60%	0.601	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.5	-8.1	-178	58	0	0	0	0	115.4
103	R	97.5	Very high	98.6	Very high	236 Å²	236	51.5 Å²	51.5	89%	0.891	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.9	-30.1	177.3	-61.9	-177.6	179.9	171.2	0.8	113.6	N101	N101-R103 PolarHBondContact O-N 2.8Å; N101-R103 VanDerWaalsContact O-N 3.07Å; N101-R103 WeakPolarHBondContact OD1-CB 3.5Å; N101-R103 PolarHBondContact OD1-N 2.88Å
104	N	97.1	Very high	98.6	Very high	69 Å²	69	46.9 Å²	46.9	37%	0.369	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	-128.8	0.8	-178.3	70.6	-14.9	0	0	0	113.4	N101 D106 M184	N101-N104 VanDerWaalsContact CB-OD1 3.27Å; N101-N104 WeakPolarHBondContact CB-OD1 3.3Å; N101-N104 PolarHBondContact ND2-OD1 3.45Å; N101-N104 PolarHBondContact O-N 3.28Å; N101-N104 PolarHBondContact O-OD1 2.99Å; N104-D106 PolarHBondContact O-N 2.92Å; N104-D106 WeakPolarHBondContact OD1-CB 3.4Å; N104-D106 PolarHBondContact OD1-N 3.41Å; N104-D106 VanDerWaalsContact OD1-N 3.11Å; N104-M184 WeakPolarHBondContact O-CE 3.41Å
105	L	98.4	Very high	98.6	Very high	37 Å²	37	48.8 Å²	48.8	19%	0.194	26%	0.257	C	S	.	.	T	Hydrogen-bonded Turn	trans	57.8	24.4	-177.5	-53.9	176.1	0	0	0	113.9	H64 Y100 N101 D108 M184 W217	H64-L105 HydrophobicContact CB-CD2 4.25Å; Y100-L105 HydrophobicContact CE2-CD2 4.03Å; Y100-L105 WeakPolarHBondContact OH-CD2 3.47Å; N101-L105 VanDerWaalsContact O-CA 3.3Å; N101-L105 WeakPolarHBondContact O-CA 3.23Å; N101-L105 PolarHBondContact O-N 2.91Å; L105-D108 HydrophobicContact CB-CB 4.26Å; L105-D108 VanDerWaalsContact O-CB 3.23Å; L105-D108 WeakPolarHBondContact O-CB 3.48Å; L105-D108 PolarHBondContact O-N 2.82Å; L105-M184 WeakPolarHBondContact O-CE 3.14Å; L105-W217 HydrophobicContact CD1-CB 3.58Å; L105-W217 HydrophobicContact CD1-CG 3.72Å
106	D	98.8	Very high	98.6	Very high	30 Å²	30	53 Å²	53	16%	0.16	27%	0.274	C	S	.	.	B	Isolated β-bridge	trans	-69.9	138.5	169.6	-169.6	45.5	0	0	0	110.4	Y100 N101 N104 D108 T181 N183 M184	Y100-D106 WeakPolarHBondContact CA-O 3.32Å; N101-D106 PolarHBondContact N-O 3.37Å; N104-D106 PolarHBondContact O-N 2.92Å; N104-D106 WeakPolarHBondContact OD1-CB 3.4Å; N104-D106 PolarHBondContact OD1-N 3.41Å; N104-D106 VanDerWaalsContact OD1-N 3.11Å; D106-D108 VanDerWaalsContact C-N 3.29Å; D106-D108 PolarHBondContact O-N 3.15Å; D106-T181 HydrophobicContact CB-CG2 3.97Å; D106-T181 WeakPolarHBondContact OD1-CB 3.32Å; D106-T181 PolarHBondContact OD1-OG1 2.8Å; D106-N183 WeakPolarHBondContact OD1-CB 3.44Å; D106-N183 PolarHBondContact OD1-ND2 2.99Å; D106-N183 PolarHBondContact OD2-ND2 2.76Å; D106-M184 HydrophobicContact CB-CE 4.33Å
107	N	98.8	Very high	98.6	Very high	17 Å²	17	53.6 Å²	53.6	9%	0.091	28%	0.284	C	S	.	.	T	Hydrogen-bonded Turn	trans	56.2	38	-171	-42.6	-81.6	0	0	0	114.6	H97 S99 I109 N183 Y236	H97-N107 HydrophobicContact CB-CB 4.18Å; H97-N107 WeakPolarHBondContact ND1-CB 3.41Å; S99-N107 PolarHBondContact O-ND2 3.47Å; N107-I109 PolarHBondContact O-N 2.65Å; N107-N183 PolarHBondContact OD1-ND2 2.73Å; N107-N183 VanDerWaalsContact OD1-ND2 3.15Å; N107-Y236 VanDerWaalsContact CA-OH 3.28Å; N107-Y236 WeakPolarHBondContact CA-OH 3.27Å; N107-Y236 HydrophobicContact CB-CE1 4.25Å; N107-Y236 PolarHBondContact OD1-OH 2.73Å
108	D	98.9	Very high	98.6	Very high	0 Å²	0	52.7 Å²	52.7	0%	0	28%	0.28	C	S	.	.			trans	-71.2	66.6	175	-175.1	32.3	0	0	0	113.2	A63 H64 Y100 L105 D106 S216 T231	A63-D108 WeakPolarHBondContact CA-OD1 3.43Å; A63-D108 PolarHBondContact N-OD1 3.12Å; H64-D108 IonicContact CE1-OD2 2.8Å; H64-D108 PolarHBondContact CE1-OD2 2.68Å; H64-D108 IonicContact CG-OD1 3.81Å; H64-D108 IonicContact CG-OD2 3.89Å; H64-D108 PolarHBondContact N-OD1 2.78Å; H64-D108 IonicContact ND1-OD1 3.25Å; H64-D108 PolarHBondContact ND1-OD1 3.45Å; H64-D108 IonicContact ND1-OD2 2.74Å; H64-D108 PolarHBondContact ND1-OD2 2.88Å; Y100-D108 HydrophobicContact CD2-CB 4.24Å; Y100-D108 HydrophobicContact CE2-CB 4.04Å; L105-D108 HydrophobicContact CB-CB 4.26Å; L105-D108 VanDerWaalsContact O-CB 3.23Å; L105-D108 WeakPolarHBondContact O-CB 3.48Å; L105-D108 PolarHBondContact O-N 2.82Å; D106-D108 VanDerWaalsContact C-N 3.29Å; D106-D108 PolarHBondContact O-N 3.15Å; D108-S216 WeakPolarHBondContact OD2-CB 3.43Å; D108-S216 PolarHBondContact OD2-OG 2.83Å; D108-T231 PolarHBondContact O-OG1 2.78Å
109	I	98.9	Very high	98.6	Very high	0 Å²	0	51.3 Å²	51.3	0%	0	27%	0.274	C	S	.	.			trans	-139.7	140.6	176.3	-168.7	172.5	0	0	0	110.6	V60 S61 H97 N107 T231 Y236 W239 I240	V60-I109 HydrophobicContact CG1-CD1 3.93Å; V60-I109 HydrophobicContact CG1-CG1 3.97Å; S61-I109 CarbonylContact O-C 3.6Å; S61-I109 WeakPolarHBondContact O-CA 3.49Å; H97-I109 HydrophobicContact CB-CG2 3.83Å; H97-I109 WeakPolarHBondContact CB-O 3.5Å; H97-I109 PolarHBondContact N-O 2.66Å; N107-I109 PolarHBondContact O-N 2.65Å; I109-T231 HydrophobicContact CB-CG2 4.14Å; I109-Y236 HydrophobicContact CD1-CD2 4.23Å; I109-Y236 HydrophobicContact CD1-CG 4.12Å; I109-Y236 HydrophobicContact CG2-CD1 3.76Å; I109-Y236 HydrophobicContact CG2-CD2 4.28Å; I109-Y236 HydrophobicContact CG2-CE1 3.89Å; I109-Y236 HydrophobicContact CG2-CE2 4.4Å; I109-Y236 HydrophobicContact CG2-CG 3.97Å; I109-W239 HydrophobicContact CD1-CZ3 4.25Å; I109-W239 HydrophobicContact CG1-CZ3 4.12Å; I109-W239 HydrophobicContact CG2-CE3 4.33Å; I109-W239 HydrophobicContact CG2-CH2 4.39Å; I109-W239 HydrophobicContact CG2-CZ3 3.86Å; I109-I240 HydrophobicContact CD1-CD1 4.15Å
110	M	98.9	Very high	98.6	Very high	0 Å²	0	52.2 Å²	52.2	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	158	172.1	71.1	176.4	178.2	0	0	111.9	L42 S61 A62 C65 I70 V94 I95 M96 I112	L42-M110 HydrophobicContact CD1-CE 3.95Å; S61-M110 PolarHBondContact N-O 2.93Å; S61-M110 PolarHBondContact O-N 3.29Å; A62-M110 WeakPolarHBondContact O-CE 3.02Å; A62-M110 WeakPolarHBondContact O-CG 3.18Å; A62-M110 VanDerWaalsContact O-SD 3.38Å; C65-M110 HydrophobicContact CB-CE 3.68Å; I70-M110 HydrophobicContact CD1-CE 4.15Å; V94-M110 HydrophobicContact CG1-CE 4.48Å; V94-M110 HydrophobicContact CG1-SD 3.57Å; V94-M110 VanDerWaalsContact CG1-SD 3.57Å; I95-M110 CarbonylContact O-C 3.5Å; I95-M110 WeakPolarHBondContact O-CA 3.37Å; I95-M110 WeakPolarHBondContact O-CB 3.33Å; M96-M110 HydrophobicContact CG-CB 4.34Å; M110-I112 HydrophobicContact CE-CD1 4.09Å; M110-I112 HydrophobicContact CE-CG1 4.33Å
111	L	98.9	Very high	98.6	Very high	0 Å²	0	53.2 Å²	53.2	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	136	169.8	-77.4	172.8	0	0	0	110.7	I54 W58 V59 V60 I95 W239 I240 T243 M244	I54-L111 HydrophobicContact CD1-CD2 3.93Å; W58-L111 HydrophobicContact CE3-CB 3.88Å; W58-L111 HydrophobicContact CE3-CD1 4.44Å; W58-L111 HydrophobicContact CE3-CD2 4.36Å; W58-L111 HydrophobicContact CE3-CG 4.48Å; W58-L111 HydrophobicContact CZ3-CB 3.77Å; W58-L111 HydrophobicContact CZ3-CD1 4.36Å; V59-L111 CarbonylContact O-C 3.28Å; V59-L111 WeakPolarHBondContact O-CA 3.05Å; V60-L111 HydrophobicContact CG2-CD2 3.59Å; I95-L111 PolarHBondContact N-O 2.99Å; I95-L111 PolarHBondContact O-N 3.36Å; L111-W239 HydrophobicContact CB-CH2 4.34Å; L111-W239 HydrophobicContact CD1-CH2 4.09Å; L111-W239 HydrophobicContact CD1-CZ3 4.17Å; L111-W239 HydrophobicContact CG-CH2 3.87Å; L111-W239 HydrophobicContact CG-CZ3 4.03Å; L111-I240 HydrophobicContact CD1-CB 4.47Å; L111-I240 HydrophobicContact CD1-CG2 4.29Å; L111-I240 HydrophobicContact CD2-CG2 4.29Å; L111-T243 HydrophobicContact CD1-CG2 3.69Å; L111-M244 HydrophobicContact CD1-CG 4.25Å
112	I	98.9	Very high	98.5	Very high	0 Å²	0	54 Å²	54	0%	0	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	121.9	172.7	-53.6	170.7	0	0	0	107.9	L42 W58 V59 I70 V72 K93 V94 M110	L42-I112 HydrophobicContact CD1-CD1 3.73Å; L42-I112 HydrophobicContact CD2-CD1 3.61Å; L42-I112 HydrophobicContact CG-CD1 4.35Å; W58-I112 WeakPolarHBondContact CA-O 3.32Å; V59-I112 HydrophobicContact CB-CB 4.27Å; V59-I112 HydrophobicContact CG1-CD1 4.4Å; V59-I112 PolarHBondContact N-O 2.86Å; V59-I112 PolarHBondContact O-N 3.33Å; I70-I112 HydrophobicContact CD1-CD1 4.01Å; I70-I112 HydrophobicContact CG2-CD1 4.4Å; V72-I112 HydrophobicContact CG2-CD1 4.41Å; V72-I112 HydrophobicContact CG2-CG2 3.96Å; K93-I112 CarbonylContact O-C 3.27Å; K93-I112 WeakPolarHBondContact O-CA 3.36Å; V94-I112 HydrophobicContact CG1-CG1 4.29Å; V94-I112 HydrophobicContact CG2-CG2 4.38Å; M110-I112 HydrophobicContact CE-CD1 4.09Å; M110-I112 HydrophobicContact CE-CG1 4.33Å
113	K	98.8	Very high	98.5	Very high	51 Å²	51	54.6 Å²	54.6	22%	0.222	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	124.7	170	-169.7	172	179.8	163.8	0	109.7	T57 W58 S91 V92 K93 N247	T57-K113 WeakPolarHBondContact O-CA 3.15Å; W58-K113 HydrophobicContact CD2-CB 4.22Å; W58-K113 HydrophobicContact CD2-CG 4.32Å; W58-K113 HydrophobicContact CE3-CB 3.92Å; W58-K113 HydrophobicContact CH2-CB 3.78Å; W58-K113 HydrophobicContact CH2-CD 4.08Å; W58-K113 HydrophobicContact CH2-CG 4.21Å; W58-K113 HydrophobicContact CZ2-CB 4.05Å; W58-K113 HydrophobicContact CZ2-CD 3.67Å; W58-K113 HydrophobicContact CZ2-CG 3.96Å; W58-K113 HydrophobicContact CZ3-CB 3.69Å; W58-K113 HydrophobicContact CZ3-CG 4.46Å; S91-K113 CarbonylContact C-O 3.49Å; S91-K113 WeakPolarHBondContact CA-O 3.31Å; V92-K113 HydrophobicContact CG2-CB 4.1Å; V92-K113 HydrophobicContact CG2-CD 4.25Å; V92-K113 HydrophobicContact CG2-CG 3.89Å; V92-K113 WeakPolarHBondContact CG2-O 3.26Å; V92-K113 PolarHBondContact N-O 2.84Å; K93-K113 HydrophobicContact CB-CB 3.98Å; K93-K113 PolarHBondContact N-O 2.95Å; K93-K113 PolarHBondContact O-N 2.7Å; K113-N247 PolarHBondContact NZ-O 3.27Å; K113-N247 PolarHBondContact NZ-OXT 2.88Å
114	L	98.9	Very high	98.6	Very high	5 Å²	5	43.3 Å²	43.3	3%	0.026	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	143.4	178.6	-57.7	-174.9	0	0	0	111.5	L53 T57 V59 V72 L74 I89 K116 A118	L53-L114 HydrophobicContact CD1-CD1 4.08Å; T57-L114 PolarHBondContact O-N 2.86Å; V59-L114 HydrophobicContact CG2-CD2 4.3Å; V72-L114 HydrophobicContact CB-CD2 3.73Å; V72-L114 HydrophobicContact CG1-CD2 4.05Å; V72-L114 HydrophobicContact CG2-CD2 3.54Å; L74-L114 HydrophobicContact CD1-CD1 4.37Å; I89-L114 HydrophobicContact CD1-CD1 4.3Å; I89-L114 HydrophobicContact CG2-CB 3.85Å; I89-L114 HydrophobicContact CG2-CD2 4.35Å; I89-L114 HydrophobicContact CG2-CG 4.47Å; L114-K116 WeakPolarHBondContact CB-O 3.42Å; L114-K116 PolarHBondContact O-N 2.88Å; L114-A118 HydrophobicContact CD1-CB 4.41Å
115	S	98.7	Very high	98.6	Very high	63 Å²	63	41.7 Å²	41.7	44%	0.441	23%	0.234	S	C	.	.	S	Bend	trans	-61.9	-28	177.7	48.1	0	0	0	0	114.3	I89 D90	I89-S115 WeakPolarHBondContact CG2-OG 3.41Å; D90-S115 WeakPolarHBondContact O-CB 3.33Å; D90-S115 PolarHBondContact O-N 2.85Å; D90-S115 PolarHBondContact O-OG 2.88Å
116	K	98.7	Very high	98.6	Very high	123 Å²	123	42.8 Å²	42.8	54%	0.535	24%	0.242	S	C	.	.	S	Bend	trans	-144.8	157	174.7	58.4	-179.7	179.5	-177.1	0	109.1	I89 L114	I89-K116 HydrophobicContact CD1-CG 4.48Å; I89-K116 HydrophobicContact CG2-CG 3.79Å; L114-K116 WeakPolarHBondContact CB-O 3.42Å; L114-K116 PolarHBondContact O-N 2.88Å
117	P	98.8	Very high	98.6	Very high	83 Å²	83	41.5 Å²	41.5	54%	0.539	24%	0.235	S	C	.	.			trans	-60.5	138.9	171.7	-20.3	32.2	0	0	0	111.8	S56 T57	S56-P117 CarbonylContact O-C 3.47Å; S56-P117 VanDerWaalsContact O-CA 3.28Å; S56-P117 WeakPolarHBondContact O-CA 3.28Å; T57-P117 HydrophobicContact CG2-CB 3.95Å; T57-P117 HydrophobicContact CG2-CG 3.8Å
118	A	98.8	Very high	98.6	Very high	6 Å²	6	43.2 Å²	43.2	5%	0.05	25%	0.252	C	S	.	.			trans	-70.5	140.2	164.8	0	0	0	0	0	110.5	L53 S56 L74 I89 L114 L120 V124	L53-A118 HydrophobicContact CD2-CB 4.45Å; S56-A118 PolarHBondContact O-N 3.24Å; L74-A118 HydrophobicContact CD1-CB 3.58Å; I89-A118 HydrophobicContact CD1-CB 3.86Å; L114-A118 HydrophobicContact CD1-CB 4.41Å; A118-L120 PolarHBondContact O-N 2.74Å; A118-V124 HydrophobicContact CB-CG1 4.27Å
119	S	98.8	Very high	98.6	Very high	82 Å²	82	45.6 Å²	45.6	57%	0.573	26%	0.264	S	S	*	.			trans	-79.7	99.4	174.6	-63.4	0	0	0	0	109.3	Q87 N121	Q87-S119 PolarHBondContact NE2-O 2.77Å; S119-N121 PolarHBondContact O-ND2 3.4Å
120	L	98.8	Very high	98.6	Very high	90 Å²	90	45.7 Å²	45.7	47%	0.471	27%	0.265	S	S	.	.			trans	-69	133.9	-178.1	-55.7	-176.7	0	0	0	111.4	L53 A118 V124 T126	L53-L120 HydrophobicContact CD2-CD2 3.86Å; A118-L120 PolarHBondContact O-N 2.74Å; L120-V124 CarbonylContact C-O 3.51Å; L120-V124 VanDerWaalsContact CA-O 3.25Å; L120-V124 WeakPolarHBondContact CA-O 3.46Å; L120-V124 HydrophobicContact CD2-CG1 4.24Å; L120-T126 HydrophobicContact CD1-CG2 4.03Å; L120-T126 HydrophobicContact CD2-CG2 4.15Å
121	N	98.3	Very high	98.4	Very high	73 Å²	73	49.5 Å²	49.5	39%	0.39	29%	0.291	S	S	.	.	S	Bend	trans	-159.2	-164	-177.4	62	41.9	0	0	0	110.8	S119 Y123 V124	S119-N121 PolarHBondContact O-ND2 3.4Å; N121-Y123 PolarHBondContact O-N 2.95Å; N121-Y123 WeakPolarHBondContact OD1-CA 3.47Å; N121-Y123 WeakPolarHBondContact OD1-CB 3.15Å; N121-Y123 PolarHBondContact OD1-N 3.32Å; N121-V124 PolarHBondContact N-O 2.81Å; N121-V124 CarbonylContact O-C 3.53Å; N121-V124 PolarHBondContact OD1-N 3.07Å
122	S	97.2	Very high	98.3	Very high	84 Å²	84	53.2 Å²	53.2	59%	0.587	32%	0.317	S	S	*	.	S	Bend	trans	-65.8	-18.2	179	50.3	0	0	0	0	115.3
123	Y	97.8	Very high	98.3	Very high	97 Å²	97	56 Å²	56	38%	0.38	34%	0.336	S	S	.	.	S	Bend	trans	-108.5	-24.7	-176.1	-43.3	-54.1	0	0	0	112.4	N34 S37 T85 N121	N34-Y123 HydrophobicContact CB-CD1 4Å; N34-Y123 WeakPolarHBondContact ND2-CD1 2.87Å; S37-Y123 WeakPolarHBondContact CA-O 3.25Å; S37-Y123 VanDerWaalsContact CB-C 3.5Å; S37-Y123 WeakPolarHBondContact CB-O 3.18Å; T85-Y123 HydrophobicContact CG2-CD1 4.05Å; T85-Y123 HydrophobicContact CG2-CD2 3.48Å; T85-Y123 VanDerWaalsContact CG2-CD2 3.48Å; T85-Y123 HydrophobicContact CG2-CE1 4.21Å; T85-Y123 HydrophobicContact CG2-CE2 3.67Å; T85-Y123 HydrophobicContact CG2-CG 3.66Å; N121-Y123 PolarHBondContact O-N 2.95Å; N121-Y123 WeakPolarHBondContact OD1-CA 3.47Å; N121-Y123 WeakPolarHBondContact OD1-CB 3.15Å; N121-Y123 PolarHBondContact OD1-N 3.32Å
124	V	98.8	Very high	98.3	Very high	0 Å²	0	54.9 Å²	54.9	0%	0	34%	0.336	C	S	.	.	S	Bend	trans	-126.7	108	177.4	-179.9	0	0	0	0	109.3	S37 L53 L74 A118 L120 N121	S37-V124 WeakPolarHBondContact O-CA 3.35Å; L53-V124 HydrophobicContact CD2-CG1 3.72Å; L74-V124 HydrophobicContact CB-CG1 3.93Å; L74-V124 HydrophobicContact CB-CG2 3.85Å; L74-V124 HydrophobicContact CD1-CG1 3.96Å; L74-V124 HydrophobicContact CG-CG1 4.48Å; A118-V124 HydrophobicContact CB-CG1 4.27Å; L120-V124 CarbonylContact C-O 3.51Å; L120-V124 VanDerWaalsContact CA-O 3.25Å; L120-V124 WeakPolarHBondContact CA-O 3.46Å; L120-V124 HydrophobicContact CD2-CG1 4.24Å; N121-V124 PolarHBondContact N-O 2.81Å; N121-V124 CarbonylContact O-C 3.53Å; N121-V124 PolarHBondContact OD1-N 3.07Å
125	S	98.6	Very high	98.2	Very high	35 Å²	35	58.6 Å²	58.6	25%	0.245	36%	0.363	C	S	.	.			trans	-134.7	170.1	179.9	79.5	0	0	0	0	111.2	S37 Y38 L53	S37-S125 PolarHBondContact O-N 3.44Å; S37-S125 PolarHBondContact OG-OG 3.07Å; Y38-S125 VanDerWaalsContact CA-O 3.24Å; Y38-S125 WeakPolarHBondContact CA-O 3.45Å; L53-S125 WeakPolarHBondContact CD2-O 3.44Å
126	T	98.8	Very high	98.2	Very high	59 Å²	59	58.9 Å²	58.9	36%	0.362	37%	0.365	S	S	.	.	P	Polyproline II helix	trans	-100.4	139.2	178.6	56	0	0	0	0	111.3	L53 L120	L53-T126 HydrophobicContact CD2-CG2 4.36Å; L53-T126 HydrophobicContact CG-CG2 4.3Å; L53-T126 CarbonylContact O-C 3.51Å; L53-T126 VanDerWaalsContact O-CA 3.26Å; L53-T126 WeakPolarHBondContact O-CA 3.24Å; L120-T126 HydrophobicContact CD1-CG2 4.03Å; L120-T126 HydrophobicContact CD2-CG2 4.15Å
127	V	98.8	Very high	98.2	Very high	4 Å²	4	55.4 Å²	55.4	2%	0.024	36%	0.364	C	S	.	.	P	Polyproline II helix	trans	-85.9	139.6	165.5	63.5	0	0	0	0	110.6	Y38 L53 I54 V206 L211	Y38-V127 HydrophobicContact CD1-CB 3.99Å; Y38-V127 HydrophobicContact CD2-CB 4.18Å; Y38-V127 HydrophobicContact CD2-CG1 4.36Å; Y38-V127 HydrophobicContact CG-CB 3.7Å; Y38-V127 HydrophobicContact CG-CG1 4.22Å; L53-V127 PolarHBondContact O-N 2.81Å; I54-V127 HydrophobicContact CG2-CG1 4.19Å; V127-V206 HydrophobicContact CG2-CG1 4.05Å; V127-V206 HydrophobicContact CG2-CG2 3.9Å; V127-L211 HydrophobicContact CG1-CB 3.92Å; V127-L211 HydrophobicContact CG1-CD1 4.45Å; V127-L211 HydrophobicContact CG1-CD2 4.21Å; V127-L211 HydrophobicContact CG1-CG 4.42Å; V127-L211 HydrophobicContact CG2-CB 3.94Å
128	A	98.6	Very high	98.2	Very high	53 Å²	53	52.5 Å²	52.5	44%	0.438	34%	0.344	S	S	.	.	B	Isolated β-bridge	trans	-71.5	140	178.7	0	0	0	0	0	111.6	Q210 L211	A128-Q210 HydrophobicContact CB-CG 4.37Å; A128-Q210 WeakPolarHBondContact O-CA 3.37Å; A128-L211 PolarHBondContact O-N 3.47Å
129	L	98.6	Very high	98.2	Very high	49 Å²	49	58.1 Å²	58.1	26%	0.257	36%	0.364	S	S	.	.	P	Polyproline II helix	trans	-65.5	149.4	164.7	-69.1	176.5	0	0	0	110.2	I54 V233 I240	I54-L129 HydrophobicContact CD1-CD1 4.49Å; I54-L129 HydrophobicContact CD1-CD2 4.36Å; I54-L129 HydrophobicContact CG2-CD2 4.12Å; L129-V233 HydrophobicContact CD2-CG1 4.29Å; L129-I240 HydrophobicContact CD1-CB 4.48Å; L129-I240 HydrophobicContact CD1-CG2 3.71Å; L129-I240 HydrophobicContact CD2-CD1 3.91Å; L129-I240 HydrophobicContact CD2-CG2 4.44Å
130	P	97.7	Very high	98.1	Very high	3 Å²	3	54.4 Å²	54.4	2%	0.019	34%	0.338	C	S	.	.	P	Polyproline II helix	trans	-71.5	136	-171	28.7	-33.8	0	0	0	111.5	Q210 L211 Q212 V233 C234 K237	P130-Q210 HydrophobicContact CB-CB 4.37Å; P130-L211 VanDerWaalsContact CD-O 3.25Å; P130-L211 WeakPolarHBondContact CD-O 3.48Å; P130-L211 WeakPolarHBondContact CG-O 3.39Å; P130-Q212 VanDerWaalsContact CB-NE2 3.3Å; P130-V233 HydrophobicContact CG-CB 4.41Å; P130-V233 HydrophobicContact CG-CG1 4.1Å; P130-C234 HydrophobicContact CB-CB 4.38Å; P130-C234 HydrophobicContact CG-CB 3.96Å; P130-K237 HydrophobicContact CG-CD 4.36Å; P130-K237 WeakPolarHBondContact O-CD 3.35Å; P130-K237 PolarHBondContact O-NZ 2.94Å
131	S	95.6	Very high	98.1	Very high	80 Å²	80	51.6 Å²	51.6	56%	0.559	32%	0.324	S	S	*	.	S	Bend	trans	-72.1	-44.6	174.9	49.3	0	0	0	0	110.5	Q210 K237	S131-Q210 VanDerWaalsContact N-OE1 3.11Å; S131-Q210 PolarHBondContact OG-NE2 3.16Å; S131-Q210 PolarHBondContact OG-OE1 2.8Å; S131-K237 PolarHBondContact O-NZ 3.3Å
132	S	97.3	Very high	98.1	Very high	77 Å²	77	48.1 Å²	48.1	54%	0.538	31%	0.305	S	S	.	.	S	Bend	trans	-135	168	172.5	56.6	0	0	0	0	110.5	Q212	S132-Q212 PolarHBondContact O-NE2 3.41Å; S132-Q212 PolarHBondContact O-OE1 3.46Å
133	C	98.3	Very high	98.2	Very high	59 Å²	59	44.1 Å²	44.1	40%	0.399	28%	0.277	S	S	.	.	P	Polyproline II helix	trans	-68.2	132.4	171.7	-58	0	0	0	0	110.9	C234	C133-C234 WeakPolarHBondContact CA-SG 3.44Å; C133-C234 HydrophobicContact CB-CB 3.86Å; C133-C234 WeakPolarHBondContact CB-SG 3.35Å; C133-C234 WeakPolarHBondContact SG-CB 3.16Å; C133-C234 CovalentContact SG-SG 2.03Å; C133-C234 PolarHBondContact SG-SG 3.43Å
134	A	97.9	Very high	98.2	Very high	28 Å²	28	39.5 Å²	39.5	23%	0.231	26%	0.259	C	S	.	.	P	Polyproline II helix	trans	-64.8	148.3	169.1	0	0	0	0	0	111.8	T138 I166 Q212	A134-T138 HydrophobicContact CB-CG2 4.13Å; A134-I166 HydrophobicContact CB-CD1 3.52Å; A134-Q212 HydrophobicContact CB-CB 4.42Å; A134-Q212 HydrophobicContact CB-CG 3.78Å
135	S	98.1	Very high	98.1	Very high	82 Å²	82	39.6 Å²	39.6	57%	0.573	26%	0.259	S	S	*	.	P	Polyproline II helix	trans	-90.4	162	179.6	51.6	0	0	0	0	112.1	T138	S135-T138 PolarHBondContact N-OG1 3.32Å; S135-T138 WeakPolarHBondContact O-CB 3.35Å; S135-T138 PolarHBondContact O-N 2.85Å; S135-T138 VanDerWaalsContact O-N 3.15Å; S135-T138 PolarHBondContact O-OG1 3.06Å; S135-T138 PolarHBondContact OG-OG1 3.24Å
136	S	98.3	Very high	97.8	Very high	69 Å²	69	38 Å²	38	48%	0.483	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.3	143.8	167.2	-175.5	0	0	0	0	110.9	T138 I166 S168	S136-T138 VanDerWaalsContact C-N 3.25Å; S136-T138 PolarHBondContact O-N 2.84Å; S136-I166 PolarHBondContact OG-O 3.05Å; S136-S168 VanDerWaalsContact OG-CA 3.29Å; S136-S168 WeakPolarHBondContact OG-CA 3.45Å; S136-S168 PolarHBondContact OG-N 3.45Å; S136-S168 VanDerWaalsContact OG-N 3.13Å
137	G	98.3	Very high	97.3	Very high	50 Å²	50	35.5 Å²	35.5	52%	0.515	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	83.5	-14.2	-174.4	0	0	0	0	0	114.6	R139 I166	G137-R139 PolarHBondContact O-N 3.18Å; G137-I166 PolarHBondContact N-O 3.11Å
138	T	98.7	Very high	96.5	Very high	22 Å²	22	36.3 Å²	36.3	14%	0.135	24%	0.237	C	C	.	.			trans	-59.7	129.7	174.9	-55.7	0	0	0	0	110.1	A134 S135 S136 P165 I166 C207	A134-T138 HydrophobicContact CB-CG2 4.13Å; S135-T138 PolarHBondContact N-OG1 3.32Å; S135-T138 WeakPolarHBondContact O-CB 3.35Å; S135-T138 PolarHBondContact O-N 2.85Å; S135-T138 VanDerWaalsContact O-N 3.15Å; S135-T138 PolarHBondContact O-OG1 3.06Å; S135-T138 PolarHBondContact OG-OG1 3.24Å; S136-T138 VanDerWaalsContact C-N 3.25Å; S136-T138 PolarHBondContact O-N 2.84Å; T138-P165 CarbonylContact O-C 3.25Å; T138-P165 WeakPolarHBondContact O-CA 3.38Å; T138-I166 PolarHBondContact O-N 2.93Å; T138-C207 HydrophobicContact CG2-CB 3.78Å
139	R	98.3	Very high	95.4	Very high	125 Å²	125	34.8 Å²	34.8	47%	0.472	22%	0.223	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	135.8	173.5	-64.7	-68.7	-70.2	156.5	-2.6	110	G137 D163 L164	G137-R139 PolarHBondContact O-N 3.18Å; R139-D163 VanDerWaalsContact CZ-O 3.29Å; R139-D163 PolarHBondContact NH1-O 3.44Å; R139-D163 VanDerWaalsContact NH2-C 3.34Å; R139-D163 PolarHBondContact NH2-O 3.29Å; R139-L164 VanDerWaalsContact NH1-CA 3.27Å
140	C	98.6	Very high	93.9	Very high	3 Å²	3	34.4 Å²	34.4	2%	0.02	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	152.5	-178	-46.4	0	0	0	0	110.2	D163 L164 V205 V206 C207	C140-D163 CarbonylContact O-C 3.59Å; C140-D163 WeakPolarHBondContact O-CA 3.28Å; C140-L164 HydrophobicContact CB-CD1 4.07Å; C140-L164 PolarHBondContact N-O 3.26Å; C140-L164 PolarHBondContact O-N 3.02Å; C140-V205 HydrophobicContact CB-CG1 3.56Å; C140-V206 CarbonylContact C-O 3.47Å; C140-V206 WeakPolarHBondContact CA-O 3.08Å; C140-V206 WeakPolarHBondContact CB-O 3.04Å; C140-C207 HydrophobicContact CB-CB 3.91Å; C140-C207 WeakPolarHBondContact CB-SG 3.33Å; C140-C207 WeakPolarHBondContact SG-CB 3.4Å; C140-C207 CovalentContact SG-SG 2.02Å; C140-C207 PolarHBondContact SG-SG 2.78Å
141	L	98.5	Very high	92.5	Very high	32 Å²	32	39.8 Å²	39.8	17%	0.168	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	126.1	171.6	-174.1	66.8	0	0	0	109.2	Y29 C161 V205 V206	Y29-L141 WeakPolarHBondContact OH-CD1 3.26Å; L141-C161 HydrophobicContact CD1-CB 3.93Å; L141-V205 WeakPolarHBondContact O-CA 3.49Å; L141-V206 PolarHBondContact N-O 2.03Å; L141-V206 PolarHBondContact O-N 3.28Å
142	V	98.2	Very high	91.4	Very high	0 Å²	0	39 Å²	39	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	145.5	161.8	67.2	0	0	0	0	109.2	C161 L162 L164 P204 V205 V215 Y230	V142-C161 CarbonylContact O-C 3.6Å; V142-C161 WeakPolarHBondContact O-CA 3.07Å; V142-L162 HydrophobicContact CG1-CB 3.75Å; V142-L162 HydrophobicContact CG1-CD2 4.33Å; V142-L162 HydrophobicContact CG1-CG 4.24Å; V142-L162 WeakPolarHBondContact CG1-O 3.29Å; V142-L162 PolarHBondContact N-O 3.07Å; V142-L162 PolarHBondContact O-N 2.89Å; V142-L164 HydrophobicContact CB-CD2 4.19Å; V142-L164 HydrophobicContact CG1-CD2 3.61Å; V142-L164 HydrophobicContact CG1-CG 4.07Å; V142-P204 WeakPolarHBondContact CA-O 3.32Å; V142-V205 HydrophobicContact CB-CG2 4.19Å; V142-V205 HydrophobicContact CG2-CG2 4.07Å; V142-V215 HydrophobicContact CG2-CG2 3.66Å; V142-Y230 HydrophobicContact CG2-CE1 4.33Å
143	S	98.3	Very high	90.6	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.7	148.8	178.8	53.6	0	0	0	0	113.3	Q39 R160	Q39-S143 PolarHBondContact OE1-O 2.84Å; Q39-S143 VanDerWaalsContact OE1-O 3.12Å; Q39-S143 PolarHBondContact OE1-OG 3.02Å; S143-R160 CarbonylContact C-O 3.44Å; S143-R160 WeakPolarHBondContact CA-O 3.04Å; S143-R160 WeakPolarHBondContact CB-O 3.39Å
144	G	97.9	Very high	90	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	175.6	-177.3	179.6	0	0	0	0	0	114.5	R160 D200	G144-R160 PolarHBondContact N-O 2.97Å; G144-R160 PolarHBondContact O-N 3.39Å; G144-D200 VanDerWaalsContact C-OD1 3.28Å; G144-D200 VanDerWaalsContact CA-OD1 3.23Å; G144-D200 WeakPolarHBondContact CA-OD1 3.16Å
145	W	97.4	Very high	89.6	Confident	2 Å²	2	45.6 Å²	45.6	1%	0.008	28%	0.284	C	S	.	.	S	Bend	trans	-115.2	27.9	177.2	-60	-93.6	0	0	0	111.1	Q39 H47 E76 H77 I79 P156 D157 L159 D200	Q39-W145 HydrophobicContact CG-CE3 4.49Å; Q39-W145 HydrophobicContact CG-CH2 3.5Å; Q39-W145 VanDerWaalsContact CG-CH2 3.5Å; Q39-W145 HydrophobicContact CG-CZ3 3.47Å; Q39-W145 VanDerWaalsContact CG-CZ3 3.47Å; H47-W145 AromaticContact CE1-CE3 3.67Å; E76-W145 HydrophobicContact CB-CH2 4.03Å; E76-W145 HydrophobicContact CB-CZ2 3.8Å; H77-W145 PolarHBondContact O-NE1 3Å; I79-W145 HydrophobicContact CD1-CB 3.98Å; I79-W145 HydrophobicContact CD1-CG 3.93Å; I79-W145 HydrophobicContact CG1-CG 4.23Å; I79-W145 HydrophobicContact CG2-CD2 3.96Å; I79-W145 VanDerWaalsContact CG2-CE2 3.47Å; I79-W145 HydrophobicContact CG2-CG 4.31Å; I79-W145 HydrophobicContact CG2-CH2 4.35Å; I79-W145 HydrophobicContact CG2-CZ2 3.71Å; W145-P156 HydrophobicContact CB-CG 4.26Å; W145-P156 WeakPolarHBondContact O-CD 3.01Å; W145-D157 PolarHBondContact NE1-O 2.83Å; W145-L159 HydrophobicContact CD2-CD1 3.72Å; W145-L159 HydrophobicContact CE3-CD1 3.86Å; W145-L159 HydrophobicContact CG-CD1 4.43Å; W145-L159 HydrophobicContact CH2-CD1 3.85Å; W145-L159 HydrophobicContact CZ2-CB 3.85Å; W145-L159 HydrophobicContact CZ2-CD1 3.68Å; W145-L159 HydrophobicContact CZ2-CD2 4.41Å; W145-L159 HydrophobicContact CZ2-CG 4.16Å; W145-L159 HydrophobicContact CZ3-CD1 3.93Å; W145-D200 PolarHBondContact N-OD1 3Å
146	G	91.9	Very high	89.4	Confident	0 Å²	0	42.3 Å²	42.3	0%	0	26%	0.261	C	S	.	.			trans	-72	175.5	176.9	0	0	0	0	0	113.6	L148 P156 Q198 D200	G146-L148 WeakPolarHBondContact O-CD2 3.38Å; G146-L148 PolarHBondContact O-N 2.83Å; G146-P156 WeakPolarHBondContact O-CD 3.32Å; G146-Q198 CarbonylContact C-O 3.58Å; G146-Q198 WeakPolarHBondContact CA-O 3.31Å; G146-D200 VanDerWaalsContact CA-OD1 3.3Å; G146-D200 WeakPolarHBondContact CA-OD1 3.45Å; G146-D200 PolarHBondContact N-OD1 3.15Å
147	N	87.5	Confident	89.2	Confident	8 Å²	8	43.4 Å²	43.4	4%	0.043	26%	0.261	C	S	.	.			trans	-62.3	133.5	-175.9	-174.7	13.3	0	0	0	112.1	S149 S152 N154 Y155 C197 Q198	N147-S149 PolarHBondContact ND2-O 3.44Å; N147-S149 PolarHBondContact OD1-N 2.03Å; N147-S149 PolarHBondContact OD1-O 2.92Å; N147-S152 PolarHBondContact ND2-O 2.87Å; N147-S152 PolarHBondContact OD1-O 2.8Å; N147-N154 WeakPolarHBondContact CA-O 3.44Å; N147-N154 PolarHBondContact OD1-N 3.21Å; N147-N154 PolarHBondContact OD1-O 3.4Å; N147-Y155 HydrophobicContact CB-CD1 4.26Å; N147-Y155 HydrophobicContact CB-CE1 3.79Å; N147-C197 HydrophobicContact CB-CB 4.31Å; N147-C197 WeakPolarHBondContact O-CB 3.39Å; N147-Q198 PolarHBondContact N-O 3.42Å
148	L	82.9	Confident	89.2	Confident	21 Å²	21	42.3 Å²	42.3	11%	0.11	24%	0.244	C	C	.	.	S	Bend	trans	-88.2	-9	-174.2	-47.9	171.2	0	0	0	112.6	K24 G146 N154 P156 R160	K24-L148 HydrophobicContact CB-CB 4.03Å; K24-L148 HydrophobicContact CB-CD1 3.84Å; K24-L148 HydrophobicContact CB-CD2 3.73Å; K24-L148 HydrophobicContact CB-CG 4.02Å; K24-L148 HydrophobicContact CD-CD1 4.07Å; K24-L148 HydrophobicContact CG-CD1 4.38Å; G146-L148 WeakPolarHBondContact O-CD2 3.38Å; G146-L148 PolarHBondContact O-N 2.83Å; L148-N154 HydrophobicContact CB-CB 4.44Å; L148-N154 WeakPolarHBondContact CB-O 3.18Å; L148-N154 VanDerWaalsContact CG-O 3.22Å; L148-N154 WeakPolarHBondContact CG-O 3.33Å; L148-N154 PolarHBondContact N-O 3.01Å; L148-P156 HydrophobicContact CD1-CB 3.78Å; L148-P156 HydrophobicContact CD1-CG 4.29Å; L148-P156 HydrophobicContact CD2-CB 3.95Å; L148-P156 HydrophobicContact CD2-CG 3.69Å; L148-P156 HydrophobicContact CG-CB 4.29Å; L148-P156 HydrophobicContact CG-CG 4.25Å; L148-R160 HydrophobicContact CD2-CG 4.03Å
149	S	74.8	Confident	89.1	Confident	21 Å²	21	41.5 Å²	41.5	15%	0.147	24%	0.239	C	C	.	.			trans	-128.6	127.5	-177	171.5	0	0	0	0	110.9	N147 S151 S152	N147-S149 PolarHBondContact ND2-O 3.44Å; N147-S149 PolarHBondContact OD1-N 2.03Å; N147-S149 PolarHBondContact OD1-O 2.92Å; S149-S151 PolarHBondContact O-N 3.42Å; S149-S151 PolarHBondContact OG-N 3.17Å; S149-S151 PolarHBondContact OG-OG 3.01Å; S149-S152 WeakPolarHBondContact CB-O 3.42Å; S149-S152 VanDerWaalsContact CB-OG 3.26Å; S149-S152 WeakPolarHBondContact CB-OG 3.26Å; S149-S152 PolarHBondContact OG-N 2.81Å; S149-S152 PolarHBondContact OG-OG 3.35Å
150	G	66.9	Low	89.1	Confident	40 Å²	40	36 Å²	36	41%	0.412	22%	0.219	S	C	.	.	S	Bend	trans	-70.5	-2.5	173.2	0	0	0	0	0	114.8
151	S	68.2	Low	89.1	Confident	117 Å²	117	35.9 Å²	35.9	82%	0.818	22%	0.218	S	C	*	.	S	Bend	trans	-132.4	-8.1	-173.6	61.5	0	0	0	0	115.4	S149	S149-S151 PolarHBondContact O-N 3.42Å; S149-S151 PolarHBondContact OG-N 3.17Å; S149-S151 PolarHBondContact OG-OG 3.01Å
152	S	73.2	Confident	89	Confident	64 Å²	64	34.6 Å²	34.6	45%	0.448	21%	0.211	S	C	.	.	S	Bend	trans	-146.4	158.2	-179.5	59.8	0	0	0	0	111	N147 S149 N154	N147-S152 PolarHBondContact ND2-O 2.87Å; N147-S152 PolarHBondContact OD1-O 2.8Å; S149-S152 WeakPolarHBondContact CB-O 3.42Å; S149-S152 VanDerWaalsContact CB-OG 3.26Å; S149-S152 WeakPolarHBondContact CB-OG 3.26Å; S149-S152 PolarHBondContact OG-N 2.81Å; S149-S152 PolarHBondContact OG-OG 3.35Å; S152-N154 PolarHBondContact O-N 3.48Å
153	S	79.8	Confident	88.9	Confident	106 Å²	106	37.7 Å²	37.7	74%	0.741	23%	0.228	S	C	*	.			trans	-79.2	102.7	173.4	-61.6	0	0	0	0	110.2
154	N	85.4	Confident	88.9	Confident	76 Å²	76	37.7 Å²	37.7	41%	0.406	23%	0.228	S	C	.	.			trans	-135.5	101.5	174.8	-175.7	5.7	0	0	0	108	N147 L148 S152	N147-N154 WeakPolarHBondContact CA-O 3.44Å; N147-N154 PolarHBondContact OD1-N 3.21Å; N147-N154 PolarHBondContact OD1-O 3.4Å; L148-N154 HydrophobicContact CB-CB 4.44Å; L148-N154 WeakPolarHBondContact CB-O 3.18Å; L148-N154 VanDerWaalsContact CG-O 3.22Å; L148-N154 WeakPolarHBondContact CG-O 3.33Å; L148-N154 PolarHBondContact N-O 3.01Å; S152-N154 PolarHBondContact O-N 3.48Å
155	Y	90.2	Very high	88.9	Confident	120 Å²	120	39 Å²	39	47%	0.471	24%	0.236	S	C	.	.			trans	-105.1	139	-177.5	-67.9	-90	0	0	0	110	N147 Q198	N147-Y155 HydrophobicContact CB-CD1 4.26Å; N147-Y155 HydrophobicContact CB-CE1 3.79Å; Y155-Q198 WeakPolarHBondContact CE1-O 3.41Å
156	P	93.1	Very high	88.9	Confident	13 Å²	13	39.4 Å²	39.4	8%	0.084	24%	0.238	C	C	.	.			trans	-85	147.9	179.6	37.3	-34.7	0	0	0	110.2	W145 G146 L148 T158 R160	W145-P156 HydrophobicContact CB-CG 4.26Å; W145-P156 WeakPolarHBondContact O-CD 3.01Å; G146-P156 WeakPolarHBondContact O-CD 3.32Å; L148-P156 HydrophobicContact CD1-CB 3.78Å; L148-P156 HydrophobicContact CD1-CG 4.29Å; L148-P156 HydrophobicContact CD2-CB 3.95Å; L148-P156 HydrophobicContact CD2-CG 3.69Å; L148-P156 HydrophobicContact CG-CB 4.29Å; L148-P156 HydrophobicContact CG-CG 4.25Å; P156-T158 WeakPolarHBondContact CB-O 3.21Å; P156-R160 HydrophobicContact CB-CG 3.79Å; P156-R160 HydrophobicContact CG-CG 3.75Å
157	D	95.6	Very high	89.3	Confident	92 Å²	92	40.7 Å²	40.7	49%	0.492	25%	0.245	S	C	.	.	S	Bend	trans	-79	-36.4	163.1	-58.6	-41.4	0	0	0	110.6	N78 I79 A80 W145	N78-D157 CarbonylContact C-O 3.5Å; N78-D157 VanDerWaalsContact CA-O 3.25Å; N78-D157 WeakPolarHBondContact CA-O 3.48Å; N78-D157 WeakPolarHBondContact OD1-CB 3.32Å; I79-D157 WeakPolarHBondContact CG1-O 3.34Å; I79-D157 PolarHBondContact N-O 2.7Å; A80-D157 HydrophobicContact CB-CB 3.93Å; A80-D157 WeakPolarHBondContact CB-OD1 3.31Å; W145-D157 PolarHBondContact NE1-O 2.83Å
158	T	97.1	Very high	89.8	Confident	26 Å²	26	41.8 Å²	41.8	16%	0.16	25%	0.253	C	S	.	.	B	Isolated β-bridge	trans	-85.2	146.3	-178.7	56	0	0	0	0	113.3	E30 H77 N78 P156 R160	E30-T158 VanDerWaalsContact CD-OG1 3.28Å; E30-T158 WeakPolarHBondContact OE2-CB 3.46Å; E30-T158 PolarHBondContact OE2-OG1 3.39Å; H77-T158 CarbonylContact O-C 3.58Å; H77-T158 WeakPolarHBondContact O-CA 3.44Å; N78-T158 HydrophobicContact CB-CG2 4.3Å; P156-T158 WeakPolarHBondContact CB-O 3.21Å; T158-R160 VanDerWaalsContact O-CD 3.28Å; T158-R160 WeakPolarHBondContact O-CD 3.2Å; T158-R160 VanDerWaalsContact O-CG 3.32Å; T158-R160 WeakPolarHBondContact O-CG 3.34Å; T158-R160 PolarHBondContact O-N 2.96Å
159	L	97.8	Very high	90.5	Very high	5 Å²	5	45.2 Å²	45.2	3%	0.026	28%	0.279	C	S	.	.			trans	-65.8	131.1	178.6	-177.9	64.8	0	0	0	110.5	C31 A36 Q39 H77 W145	C31-L159 HydrophobicContact CB-CB 4.41Å; C31-L159 HydrophobicContact CB-CD2 4.27Å; C31-L159 HydrophobicContact CB-CG 4.16Å; C31-L159 WeakPolarHBondContact CB-O 3.38Å; C31-L159 PolarHBondContact N-O 3.18Å; A36-L159 HydrophobicContact CB-CD2 4.08Å; Q39-L159 HydrophobicContact CB-CD2 4.18Å; Q39-L159 HydrophobicContact CG-CD1 3.83Å; Q39-L159 HydrophobicContact CG-CD2 4.02Å; H77-L159 PolarHBondContact O-N 3.17Å; W145-L159 HydrophobicContact CD2-CD1 3.72Å; W145-L159 HydrophobicContact CE3-CD1 3.86Å; W145-L159 HydrophobicContact CG-CD1 4.43Å; W145-L159 HydrophobicContact CH2-CD1 3.85Å; W145-L159 HydrophobicContact CZ2-CB 3.85Å; W145-L159 HydrophobicContact CZ2-CD1 3.68Å; W145-L159 HydrophobicContact CZ2-CD2 4.41Å; W145-L159 HydrophobicContact CZ2-CG 4.16Å; W145-L159 HydrophobicContact CZ3-CD1 3.93Å
160	R	97.6	Very high	91.6	Very high	10 Å²	10	48.1 Å²	48.1	4%	0.038	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	149.8	-176.3	-52.6	-52.4	-63.7	-151.3	-7.1	111.1	D22 K24 I25 Y29 E30 C31 S143 G144 L148 P156 T158	D22-R160 PolarHBondContact O-NH2 2.99Å; K24-R160 VanDerWaalsContact N-NH2 3.2Å; K24-R160 WeakPolarHBondContact O-CB 3.32Å; K24-R160 VanDerWaalsContact O-CZ 3.27Å; K24-R160 PolarHBondContact O-NE 2.95Å; K24-R160 PolarHBondContact O-NH2 2.86Å; I25-R160 HydrophobicContact CB-CB 4.1Å; I25-R160 HydrophobicContact CD1-CB 3.96Å; I25-R160 WeakPolarHBondContact CD1-O 3.39Å; I25-R160 HydrophobicContact CG1-CB 3.74Å; Y29-R160 VanDerWaalsContact C-NH2 3.35Å; Y29-R160 CarbonylContact O-C 3.54Å; Y29-R160 WeakPolarHBondContact O-CA 3.25Å; Y29-R160 PolarHBondContact O-NE 2.76Å; E30-R160 VanDerWaalsContact CA-CZ 3.47Å; E30-R160 VanDerWaalsContact N-CZ 3.3Å; E30-R160 VanDerWaalsContact N-NH2 3.14Å; E30-R160 IonicContact OE2-NH1 3.47Å; E30-R160 PolarHBondContact OE2-NH1 2.9Å; C31-R160 PolarHBondContact SG-O 3.09Å; S143-R160 CarbonylContact C-O 3.44Å; S143-R160 WeakPolarHBondContact CA-O 3.04Å; S143-R160 WeakPolarHBondContact CB-O 3.39Å; G144-R160 PolarHBondContact N-O 2.97Å; G144-R160 PolarHBondContact O-N 3.39Å; L148-R160 HydrophobicContact CD2-CG 4.03Å; P156-R160 HydrophobicContact CB-CG 3.79Å; P156-R160 HydrophobicContact CG-CG 3.75Å; T158-R160 VanDerWaalsContact O-CD 3.28Å; T158-R160 WeakPolarHBondContact O-CD 3.2Å; T158-R160 VanDerWaalsContact O-CG 3.32Å; T158-R160 WeakPolarHBondContact O-CG 3.34Å; T158-R160 PolarHBondContact O-N 2.96Å
161	C	97.7	Very high	93.1	Very high	1 Å²	1	48.1 Å²	48.1	1%	0.007	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	148.7	-169.6	-89.9	0	0	0	0	110.8	G28 Y29 C31 L141 V142	G28-C161 CarbonylContact C-O 3.45Å; G28-C161 WeakPolarHBondContact CA-O 3.42Å; Y29-C161 HydrophobicContact CD2-CB 4.08Å; Y29-C161 HydrophobicContact CE1-CB 4.11Å; Y29-C161 HydrophobicContact CE2-CB 3.56Å; Y29-C161 PolarHBondContact N-O 2.94Å; Y29-C161 PolarHBondContact O-N 2.89Å; C31-C161 VanDerWaalsContact CA-SG 3.54Å; C31-C161 HydrophobicContact CB-CB 4.08Å; C31-C161 WeakPolarHBondContact CB-SG 3.38Å; C31-C161 VanDerWaalsContact SG-CA 3.53Å; C31-C161 WeakPolarHBondContact SG-CB 3.33Å; C31-C161 PolarHBondContact SG-N 2.85Å; C31-C161 VanDerWaalsContact SG-N 3.38Å; C31-C161 CovalentContact SG-SG 2.03Å; C31-C161 PolarHBondContact SG-SG 2.91Å; L141-C161 HydrophobicContact CD1-CB 3.93Å; V142-C161 CarbonylContact O-C 3.6Å; V142-C161 WeakPolarHBondContact O-CA 3.07Å
162	L	96.5	Very high	94.5	Very high	5 Å²	5	42.7 Å²	42.7	3%	0.026	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.9	124.3	170	169.3	63.1	0	0	0	110.7	I25 V142 L164 F189 K194	I25-L162 HydrophobicContact CG2-CB 3.94Å; I25-L162 HydrophobicContact CG2-CD2 4.02Å; V142-L162 HydrophobicContact CG1-CB 3.75Å; V142-L162 HydrophobicContact CG1-CD2 4.33Å; V142-L162 HydrophobicContact CG1-CG 4.24Å; V142-L162 WeakPolarHBondContact CG1-O 3.29Å; V142-L162 PolarHBondContact N-O 3.07Å; V142-L162 PolarHBondContact O-N 2.89Å; L162-L164 HydrophobicContact CD2-CD2 4.45Å; L162-L164 HydrophobicContact CG-CB 4.5Å; L162-F189 HydrophobicContact CD1-CE2 4.33Å; L162-K194 HydrophobicContact CD1-CB 4.2Å; L162-K194 HydrophobicContact CD1-CD 4.25Å; L162-K194 HydrophobicContact CD2-CB 4.3Å
163	D	97.3	Very high	95.7	Very high	65 Å²	65	42.9 Å²	42.9	35%	0.348	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	111.8	171.3	-65.7	-77.8	0	0	0	111.1	Y29 R139 C140	Y29-D163 PolarHBondContact OH-OD2 2.86Å; R139-D163 VanDerWaalsContact CZ-O 3.29Å; R139-D163 PolarHBondContact NH1-O 3.44Å; R139-D163 VanDerWaalsContact NH2-C 3.34Å; R139-D163 PolarHBondContact NH2-O 3.29Å; C140-D163 CarbonylContact O-C 3.59Å; C140-D163 WeakPolarHBondContact O-CA 3.28Å
164	L	97.1	Very high	96.5	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	153.9	-176.4	50.2	62.9	0	0	0	112.8	R139 C140 V142 L162 A187 F189 V205 Y230	R139-L164 VanDerWaalsContact NH1-CA 3.27Å; C140-L164 HydrophobicContact CB-CD1 4.07Å; C140-L164 PolarHBondContact N-O 3.26Å; C140-L164 PolarHBondContact O-N 3.02Å; V142-L164 HydrophobicContact CB-CD2 4.19Å; V142-L164 HydrophobicContact CG1-CD2 3.61Å; V142-L164 HydrophobicContact CG1-CG 4.07Å; L162-L164 HydrophobicContact CD2-CD2 4.45Å; L162-L164 HydrophobicContact CG-CB 4.5Å; L164-A187 HydrophobicContact CD1-CB 3.63Å; L164-A187 HydrophobicContact CD2-CB 4.29Å; L164-F189 HydrophobicContact CB-CE2 4.11Å; L164-V205 HydrophobicContact CD1-CG1 4.28Å; L164-Y230 VanDerWaalsContact CD2-OH 3.29Å; L164-Y230 WeakPolarHBondContact CD2-OH 3.29Å
165	P	98.3	Very high	97.1	Very high	26 Å²	26	38.9 Å²	38.9	17%	0.169	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	145.8	172.8	35.3	-30	0	0	0	110.8	T138 L167 A187 G188	T138-P165 CarbonylContact O-C 3.25Å; T138-P165 WeakPolarHBondContact O-CA 3.38Å; P165-L167 PolarHBondContact O-N 2.89Å; P165-A187 VanDerWaalsContact O-CA 3.24Å; P165-A187 WeakPolarHBondContact O-CA 3.39Å; P165-A187 WeakPolarHBondContact O-CB 3.42Å; P165-G188 WeakPolarHBondContact CD-O 3.22Å; P165-G188 WeakPolarHBondContact CG-O 3.45Å; P165-G188 PolarHBondContact O-N 3.14Å
166	I	98.8	Very high	97.5	Very high	12 Å²	12	33.1 Å²	33.1	6%	0.062	21%	0.207	C	C	.	.	B	Isolated β-bridge	trans	-66.8	125.1	163.1	-62.5	-175.8	0	0	0	108.4	A134 S136 G137 T138 F185	A134-I166 HydrophobicContact CB-CD1 3.52Å; S136-I166 PolarHBondContact OG-O 3.05Å; G137-I166 PolarHBondContact N-O 3.11Å; T138-I166 PolarHBondContact O-N 2.93Å; I166-F185 HydrophobicContact CD1-CD2 4.42Å; I166-F185 HydrophobicContact CD1-CE2 4.1Å; I166-F185 HydrophobicContact CG1-CD2 4.21Å; I166-F185 HydrophobicContact CG1-CE2 3.94Å; I166-F185 HydrophobicContact CG2-CD2 3.96Å
167	L	98.6	Very high	97.7	Very high	27 Å²	27	36.9 Å²	36.9	14%	0.141	23%	0.231	C	C	.	.	P	Polyproline II helix	trans	-82.4	160.4	178.2	-64.5	176.6	0	0	0	111.4	P165 C186 G188 M190 P227	P165-L167 PolarHBondContact O-N 2.89Å; L167-C186 HydrophobicContact CB-CB 4.21Å; L167-C186 HydrophobicContact CD1-CB 4.13Å; L167-C186 PolarHBondContact N-O 3.06Å; L167-G188 WeakPolarHBondContact CD2-O 3.38Å; L167-M190 HydrophobicContact CD1-CG 4.27Å; L167-M190 HydrophobicContact CD1-SD 3.94Å; L167-P227 HydrophobicContact CD1-CB 3.52Å; L167-P227 HydrophobicContact CD1-CG 3.57Å
168	S	98.4	Very high	97.8	Very high	30 Å²	30	36.6 Å²	36.6	21%	0.21	25%	0.249	C	C	.	.	P	Polyproline II helix	trans	-69	149.4	178.1	80.3	0	0	0	0	111.2	S136 S170 S171 C172	S136-S168 VanDerWaalsContact OG-CA 3.29Å; S136-S168 WeakPolarHBondContact OG-CA 3.45Å; S136-S168 PolarHBondContact OG-N 3.45Å; S136-S168 VanDerWaalsContact OG-N 3.13Å; S168-S170 PolarHBondContact O-N 3.2Å; S168-S170 PolarHBondContact OG-OG 3.12Å; S168-S171 PolarHBondContact O-N 3.44Å; S168-S171 VanDerWaalsContact O-N 3.16Å; S168-S171 WeakPolarHBondContact OG-CB 3.47Å; S168-S171 PolarHBondContact OG-N 3.38Å; S168-S171 PolarHBondContact OG-OG 2.85Å; S168-C172 WeakPolarHBondContact O-CB 3.25Å; S168-C172 PolarHBondContact O-N 3.24Å
169	S	97.6	Very high	97.8	Very high	93 Å²	93	38.7 Å²	38.7	65%	0.65	26%	0.258	S	S	*	.	H	α-helix	trans	-58.2	-33.6	176.7	-53.8	0	0	0	0	112.2	N173	S169-N173 WeakPolarHBondContact O-CB 3.01Å; S169-N173 PolarHBondContact O-N 2.95Å; S169-N173 PolarHBondContact O-ND2 3.27Å
170	S	98.1	Very high	97.9	Very high	82 Å²	82	39.7 Å²	39.7	57%	0.573	26%	0.262	S	S	*	.	H	α-helix	trans	-67.4	-49.7	174.7	45.7	0	0	0	0	111.4	S168 C172 N173 S174	S168-S170 PolarHBondContact O-N 3.2Å; S168-S170 PolarHBondContact OG-OG 3.12Å; S170-C172 VanDerWaalsContact C-N 3.27Å; S170-C172 PolarHBondContact O-N 3.05Å; S170-N173 PolarHBondContact O-N 2.93Å; S170-S174 WeakPolarHBondContact O-CB 3.39Å; S170-S174 PolarHBondContact O-N 3.28Å; S170-S174 PolarHBondContact O-OG 2.89Å; S170-S174 VanDerWaalsContact O-OG 3.1Å
171	S	98.1	Very high	97.9	Very high	41 Å²	41	40.8 Å²	40.8	29%	0.287	27%	0.27	S	S	.	.	H	α-helix	trans	-55.2	-43.1	174.8	-56.2	0	0	0	0	112.1	S168 S174 A175	S168-S171 PolarHBondContact O-N 3.44Å; S168-S171 VanDerWaalsContact O-N 3.16Å; S168-S171 WeakPolarHBondContact OG-CB 3.47Å; S168-S171 PolarHBondContact OG-N 3.38Å; S168-S171 PolarHBondContact OG-OG 2.85Å; S171-S174 PolarHBondContact O-N 3.35Å; S171-A175 WeakPolarHBondContact O-CB 3.42Å; S171-A175 PolarHBondContact O-N 3.02Å
172	C	98.1	Very high	98	Very high	2 Å²	2	45.2 Å²	45.2	1%	0.014	30%	0.301	C	S	.	.	H	α-helix	trans	-64.5	-45.5	178.8	-168.6	0	0	0	0	112.4	S168 S170 A175 Y176 C186	S168-C172 WeakPolarHBondContact O-CB 3.25Å; S168-C172 PolarHBondContact O-N 3.24Å; S170-C172 VanDerWaalsContact C-N 3.27Å; S170-C172 PolarHBondContact O-N 3.05Å; C172-A175 PolarHBondContact O-N 3.13Å; C172-Y176 PolarHBondContact O-N 2.95Å; C172-C186 WeakPolarHBondContact CA-SG 3.26Å; C172-C186 HydrophobicContact CB-CB 3.58Å; C172-C186 WeakPolarHBondContact CB-SG 3.38Å; C172-C186 WeakPolarHBondContact SG-CB 3.2Å; C172-C186 PolarHBondContact SG-N 2.88Å; C172-C186 CovalentContact SG-SG 2.03Å; C172-C186 PolarHBondContact SG-SG 2.69Å
173	N	98.1	Very high	98.1	Very high	69 Å²	69	46.1 Å²	46.1	37%	0.369	31%	0.306	S	S	.	.	H	α-helix	trans	-68.6	-32.3	175.6	-82.5	-86.3	0	0	0	112.9	S169 S170 Y176 P177	S169-N173 WeakPolarHBondContact O-CB 3.01Å; S169-N173 PolarHBondContact O-N 2.95Å; S169-N173 PolarHBondContact O-ND2 3.27Å; S170-N173 PolarHBondContact O-N 2.93Å; N173-Y176 CarbonylContact O-C 3.59Å; N173-Y176 VanDerWaalsContact O-C 3.25Å; N173-Y176 PolarHBondContact O-N 3.49Å; N173-P177 VanDerWaalsContact O-CA 3.27Å; N173-P177 WeakPolarHBondContact O-CA 3.23Å; N173-P177 VanDerWaalsContact O-N 3.1Å
174	S	97.8	Very high	98.2	Very high	93 Å²	93	43.6 Å²	43.6	65%	0.65	29%	0.292	S	S	*	.	H	α-helix	trans	-69	-35.9	173	-63.8	0	0	0	0	112.3	S170 S171	S170-S174 WeakPolarHBondContact O-CB 3.39Å; S170-S174 PolarHBondContact O-N 3.28Å; S170-S174 PolarHBondContact O-OG 2.89Å; S170-S174 VanDerWaalsContact O-OG 3.1Å; S171-S174 PolarHBondContact O-N 3.35Å
175	A	97.6	Very high	98.2	Very high	4 Å²	4	44.4 Å²	44.4	3%	0.033	30%	0.296	C	S	.	.	H	α-helix	trans	-68.2	-37	173.9	0	0	0	0	0	112.4	S171 C172 M190 N225 K226 P227	S171-A175 WeakPolarHBondContact O-CB 3.42Å; S171-A175 PolarHBondContact O-N 3.02Å; C172-A175 PolarHBondContact O-N 3.13Å; A175-M190 HydrophobicContact CB-CE 4.34Å; A175-N225 WeakPolarHBondContact CB-O 3.02Å; A175-K226 PolarHBondContact O-NZ 3.45Å; A175-P227 HydrophobicContact CB-CG 4.35Å
176	Y	97.8	Very high	98.3	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	29%	0.288	C	S	.	.	S	Bend	trans	-133.7	71.8	-175.7	-57.4	-77.7	0	0	0	112.8	C172 N173 G178 Q179 I180 W217 Y219 K226 P227 V229	C172-Y176 PolarHBondContact O-N 2.95Å; N173-Y176 CarbonylContact O-C 3.59Å; N173-Y176 VanDerWaalsContact O-C 3.25Å; N173-Y176 PolarHBondContact O-N 3.49Å; Y176-G178 PolarHBondContact O-N 2.58Å; Y176-Q179 PolarHBondContact O-N 3.47Å; Y176-I180 HydrophobicContact CD2-CD1 3.98Å; Y176-I180 HydrophobicContact CG-CD1 4.2Å; Y176-W217 AromaticContact CD1-CH2 3.75Å; Y176-W217 HydrophobicContact CD1-CH2 3.75Å; Y176-W217 AromaticContact CD1-CZ3 3.62Å; Y176-W217 HydrophobicContact CD1-CZ3 3.62Å; Y176-W217 HydrophobicContact CD2-CH2 4.49Å; Y176-W217 HydrophobicContact CE1-CH2 4.19Å; Y176-W217 AromaticContact CE1-CZ3 3.63Å; Y176-W217 HydrophobicContact CE1-CZ3 3.63Å; Y176-W217 AromaticContact CG-CH2 3.91Å; Y176-W217 HydrophobicContact CG-CH2 3.91Å; Y176-W217 HydrophobicContact CG-CZ3 4.21Å; Y176-Y219 HydrophobicContact CD1-CD2 4.47Å; Y176-Y219 HydrophobicContact CD1-CG 4.47Å; Y176-Y219 HydrophobicContact CE1-CD1 4.02Å; Y176-Y219 HydrophobicContact CE1-CD2 4.13Å; Y176-Y219 AromaticContact CE1-CG 3.8Å; Y176-Y219 HydrophobicContact CE1-CG 3.8Å; Y176-Y219 PolarHBondContact OH-N 2.97Å; Y176-K226 HydrophobicContact CD1-CD 4.42Å; Y176-K226 HydrophobicContact CE1-CD 3.73Å; Y176-K226 WeakPolarHBondContact OH-CA 3.49Å; Y176-P227 HydrophobicContact CE2-CG 4.22Å; Y176-P227 VanDerWaalsContact CE2-O 3.25Å; Y176-P227 WeakPolarHBondContact CE2-O 3.5Å; Y176-P227 PolarHBondContact OH-O 2.8Å; Y176-V229 HydrophobicContact CD2-CG2 3.9Å; Y176-V229 HydrophobicContact CE2-CG2 3.53Å
177	P	97.9	Very high	98.2	Very high	92 Å²	92	42.6 Å²	42.6	60%	0.597	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.5	126.5	-175.9	-26.6	36.1	0	0	0	112.7	N173 Q179	N173-P177 VanDerWaalsContact O-CA 3.27Å; N173-P177 WeakPolarHBondContact O-CA 3.23Å; N173-P177 VanDerWaalsContact O-N 3.1Å; P177-Q179 VanDerWaalsContact C-N 3.26Å; P177-Q179 PolarHBondContact O-N 2.74Å
178	G	97.6	Very high	98.2	Very high	85 Å²	85	41.4 Å²	41.4	88%	0.876	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	73.5	5.1	176.7	0	0	0	0	0	116.2	Y176	Y176-G178 PolarHBondContact O-N 2.58Å
179	Q	98.3	Very high	98	Very high	71 Å²	71	42.6 Å²	42.6	33%	0.332	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-111.3	-22.5	-174.3	-66.6	174.4	67.4	0	0	114.2	Y176 P177 W217 Y219	Y176-Q179 PolarHBondContact O-N 3.47Å; P177-Q179 VanDerWaalsContact C-N 3.26Å; P177-Q179 PolarHBondContact O-N 2.74Å; Q179-W217 HydrophobicContact CB-CH2 4.13Å; Q179-W217 HydrophobicContact CB-CZ2 4.45Å; Q179-Y219 PolarHBondContact NE2-OH 3.22Å; Q179-Y219 PolarHBondContact OE1-OH 3.07Å
180	I	98.6	Very high	97.9	Very high	25 Å²	25	40.1 Å²	40.1	13%	0.128	26%	0.259	C	S	.	.			trans	-82.5	118.8	-178.7	-55.7	-56.7	0	0	0	110.2	Y176 M184 W217 V229	Y176-I180 HydrophobicContact CD2-CD1 3.98Å; Y176-I180 HydrophobicContact CG-CD1 4.2Å; I180-M184 HydrophobicContact CG2-CB 4.05Å; I180-W217 HydrophobicContact CD1-CH2 4.24Å; I180-W217 HydrophobicContact CD1-CZ2 4Å; I180-V229 HydrophobicContact CD1-CG1 3.93Å; I180-V229 HydrophobicContact CD1-CG2 4.03Å
181	T	98.6	Very high	97.8	Very high	33 Å²	33	42.8 Å²	42.8	20%	0.202	26%	0.263	C	S	.	.			trans	-89.6	171	173.9	75.3	0	0	0	0	111.7	D106 N183 M184	D106-T181 HydrophobicContact CB-CG2 3.97Å; D106-T181 WeakPolarHBondContact OD1-CB 3.32Å; D106-T181 PolarHBondContact OD1-OG1 2.8Å; T181-N183 PolarHBondContact O-N 2.89Å; T181-N183 VanDerWaalsContact O-N 3.14Å; T181-N183 PolarHBondContact OG1-N 2.83Å; T181-M184 HydrophobicContact CG2-CE 4.03Å; T181-M184 HydrophobicContact CG2-SD 4.42Å; T181-M184 PolarHBondContact O-N 3.26Å; T181-M184 VanDerWaalsContact O-N 3.11Å
182	S	98.4	Very high	97.5	Very high	94 Å²	94	41.5 Å²	41.5	66%	0.657	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.2	-13.6	172.2	52	0	0	0	0	114	N235	S182-N235 PolarHBondContact O-ND2 2.69Å
183	N	98.8	Very high	96.9	Very high	25 Å²	25	43.6 Å²	43.6	13%	0.134	28%	0.278	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.1	3.4	177	-61.4	-41.9	0	0	0	113.7	D106 N107 T181 K232 N235 Y236	D106-N183 WeakPolarHBondContact OD1-CB 3.44Å; D106-N183 PolarHBondContact OD1-ND2 2.99Å; D106-N183 PolarHBondContact OD2-ND2 2.76Å; N107-N183 PolarHBondContact OD1-ND2 2.73Å; N107-N183 VanDerWaalsContact OD1-ND2 3.15Å; T181-N183 PolarHBondContact O-N 2.89Å; T181-N183 VanDerWaalsContact O-N 3.14Å; T181-N183 PolarHBondContact OG1-N 2.83Å; N183-K232 WeakPolarHBondContact O-CB 3.37Å; N183-K232 PolarHBondContact O-N 2.91Å; N183-N235 PolarHBondContact OD1-ND2 3.15Å; N183-Y236 HydrophobicContact CB-CE2 4.35Å; N183-Y236 WeakPolarHBondContact CB-OH 3.37Å; N183-Y236 PolarHBondContact ND2-OH 3.22Å; N183-Y236 PolarHBondContact OD1-OH 3.2Å
184	M	98.9	Very high	96.4	Very high	11 Å²	11	44 Å²	44	5%	0.054	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	157.7	-179.6	-64.7	173.6	-169.9	0	0	110.8	N104 L105 D106 I180 T181 W217 V229 Y230	N104-M184 WeakPolarHBondContact O-CE 3.41Å; L105-M184 WeakPolarHBondContact O-CE 3.14Å; D106-M184 HydrophobicContact CB-CE 4.33Å; I180-M184 HydrophobicContact CG2-CB 4.05Å; T181-M184 HydrophobicContact CG2-CE 4.03Å; T181-M184 HydrophobicContact CG2-SD 4.42Å; T181-M184 PolarHBondContact O-N 3.26Å; T181-M184 VanDerWaalsContact O-N 3.11Å; M184-W217 HydrophobicContact SD-CZ2 4.17Å; M184-V229 HydrophobicContact CB-CG1 3.9Å; M184-V229 HydrophobicContact CG-CG1 4.12Å; M184-V229 HydrophobicContact SD-CG1 4.01Å; M184-Y230 WeakPolarHBondContact CA-O 3.05Å
185	F	98.9	Very high	95.9	Very high	18 Å²	18	39.6 Å²	39.6	8%	0.079	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.7	155.4	161.3	68.6	-83.1	0	0	0	109.7	I166 A187 V205 Q212 Y230 K232	I166-F185 HydrophobicContact CD1-CD2 4.42Å; I166-F185 HydrophobicContact CD1-CE2 4.1Å; I166-F185 HydrophobicContact CG1-CD2 4.21Å; I166-F185 HydrophobicContact CG1-CE2 3.94Å; I166-F185 HydrophobicContact CG2-CD2 3.96Å; F185-A187 HydrophobicContact CD2-CB 4.25Å; F185-A187 HydrophobicContact CE2-CB 3.98Å; F185-V205 HydrophobicContact CZ-CG1 4.47Å; F185-Q212 WeakPolarHBondContact CE1-O 3.45Å; F185-Y230 HydrophobicContact CD2-CD2 4.49Å; F185-Y230 HydrophobicContact CE2-CD2 4.21Å; F185-Y230 HydrophobicContact CE2-CG 4.31Å; F185-Y230 HydrophobicContact CZ-CG 4.27Å; F185-Y230 PolarHBondContact N-O 2.03Å; F185-Y230 PolarHBondContact O-N 3.32Å; F185-K232 HydrophobicContact CD1-CB 3.92Å; F185-K232 HydrophobicContact CD1-CG 4Å; F185-K232 HydrophobicContact CE1-CB 4.48Å
186	C	98.8	Very high	95.2	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	147.8	171.8	-60.6	0	0	0	0	110	L167 C172 P227 G228	L167-C186 HydrophobicContact CB-CB 4.21Å; L167-C186 HydrophobicContact CD1-CB 4.13Å; L167-C186 PolarHBondContact N-O 3.06Å; C172-C186 WeakPolarHBondContact CA-SG 3.26Å; C172-C186 HydrophobicContact CB-CB 3.58Å; C172-C186 WeakPolarHBondContact CB-SG 3.38Å; C172-C186 WeakPolarHBondContact SG-CB 3.2Å; C172-C186 PolarHBondContact SG-N 2.88Å; C172-C186 CovalentContact SG-SG 2.03Å; C172-C186 PolarHBondContact SG-SG 2.69Å; C186-P227 HydrophobicContact CB-CB 4.41Å; C186-P227 HydrophobicContact CB-CG 3.92Å; C186-G228 VanDerWaalsContact CA-O 3.26Å; C186-G228 WeakPolarHBondContact CA-O 3.21Å
187	A	98.4	Very high	94.8	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.6	150.3	173.9	0	0	0	0	0	110	L164 P165 F185 G228 Y230	L164-A187 HydrophobicContact CD1-CB 3.63Å; L164-A187 HydrophobicContact CD2-CB 4.29Å; P165-A187 VanDerWaalsContact O-CA 3.24Å; P165-A187 WeakPolarHBondContact O-CA 3.39Å; P165-A187 WeakPolarHBondContact O-CB 3.42Å; F185-A187 HydrophobicContact CD2-CB 4.25Å; F185-A187 HydrophobicContact CE2-CB 3.98Å; A187-G228 PolarHBondContact N-O 3.18Å; A187-G228 VanDerWaalsContact N-O 3.12Å; A187-Y230 HydrophobicContact CB-CD2 3.79Å; A187-Y230 HydrophobicContact CB-CE2 3.5Å; A187-Y230 WeakPolarHBondContact O-CE2 3.32Å
188	G	96.8	Very high	94.2	Very high	1 Å²	1	40.4 Å²	40.4	1%	0.01	24%	0.242	C	C	.	.	S	Bend	trans	120.9	-152.3	-172	0	0	0	0	0	112.5	P165 L167	P165-G188 WeakPolarHBondContact CD-O 3.22Å; P165-G188 WeakPolarHBondContact CG-O 3.45Å; P165-G188 PolarHBondContact O-N 3.14Å; L167-G188 WeakPolarHBondContact CD2-O 3.38Å
189	F	95.5	Very high	93.8	Very high	56 Å²	56	37 Å²	37	25%	0.246	21%	0.208	C	C	.	.			trans	-126	129.6	-167.2	-57.6	-94.4	0	0	0	110.2	L162 L164 E191 G192 K194	L162-F189 HydrophobicContact CD1-CE2 4.33Å; L164-F189 HydrophobicContact CB-CE2 4.11Å; F189-E191 PolarHBondContact O-N 2.81Å; F189-G192 PolarHBondContact O-N 3.33Å; F189-K194 HydrophobicContact CD2-CB 3.45Å; F189-K194 VanDerWaalsContact CD2-CB 3.45Å; F189-K194 HydrophobicContact CD2-CG 4.48Å; F189-K194 HydrophobicContact CE2-CB 3.81Å; F189-K194 HydrophobicContact CE2-CD 4.32Å; F189-K194 HydrophobicContact CG-CB 4.24Å
190	M	95.4	Very high	93.7	Very high	40 Å²	40	33.6 Å²	33.6	20%	0.197	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74	-19.9	-176	-70.8	-63.7	-67.7	0	0	112.2	L167 A175 G192 R224 N225 P227	L167-M190 HydrophobicContact CD1-CG 4.27Å; L167-M190 HydrophobicContact CD1-SD 3.94Å; A175-M190 HydrophobicContact CB-CE 4.34Å; M190-G192 PolarHBondContact O-N 3.47Å; M190-R224 WeakPolarHBondContact O-CG 3.29Å; M190-N225 HydrophobicContact CE-CB 4.1Å; M190-N225 PolarHBondContact O-N 3.25Å; M190-P227 HydrophobicContact SD-CG 3.91Å
191	E	95.1	Very high	93.6	Very high	139 Å²	139	33.4 Å²	33.4	65%	0.65	19%	0.193	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.5	-24.3	175.6	-61.7	67.3	-146.9	0	0	111.7	F189	F189-E191 PolarHBondContact O-N 2.81Å
192	G	91.6	Very high	93.6	Very high	13 Å²	13	31.9 Å²	31.9	13%	0.134	18%	0.183	C	C	.	.	S	Bend	trans	85.6	-164.8	-167.8	0	0	0	0	0	111.9	F189 M190 K194 A222	F189-G192 PolarHBondContact O-N 3.33Å; M190-G192 PolarHBondContact O-N 3.47Å; G192-K194 PolarHBondContact O-N 3.04Å; G192-A222 CarbonylContact C-O 3.58Å; G192-A222 WeakPolarHBondContact CA-O 3.36Å
193	G	86.8	Confident	93.6	Very high	47 Å²	47	27.4 Å²	27.4	49%	0.485	15%	0.152	S	C	.	.	S	Bend	trans	74.5	-21.5	178.6	0	0	0	0	0	116	V26 G27 A222	V26-G193 CarbonylContact C-O 3.54Å; G27-G193 PolarHBondContact N-O 2.81Å; G193-A222 PolarHBondContact N-O 3.4Å
194	K	88	Confident	93.6	Very high	76 Å²	76	26.2 Å²	26.2	33%	0.33	15%	0.145	S	C	.	.			trans	-132.4	110.8	179.4	-64.2	-164.2	176.5	-115.7	0	112.9	D23 V26 G27 L162 F189 G192	D23-K194 IonicContact OD2-NZ 3.44Å; D23-K194 PolarHBondContact OD2-NZ 2.9Å; V26-K194 VanDerWaalsContact O-CA 3.24Å; V26-K194 WeakPolarHBondContact O-CA 3.48Å; G27-K194 WeakPolarHBondContact O-CD 3.2Å; G27-K194 VanDerWaalsContact O-CE 3.25Å; G27-K194 WeakPolarHBondContact O-CE 3.44Å; G27-K194 WeakPolarHBondContact O-CG 3.46Å; G27-K194 PolarHBondContact O-NZ 2.02Å; L162-K194 HydrophobicContact CD1-CB 4.2Å; L162-K194 HydrophobicContact CD1-CD 4.25Å; L162-K194 HydrophobicContact CD2-CB 4.3Å; F189-K194 HydrophobicContact CD2-CB 3.45Å; F189-K194 VanDerWaalsContact CD2-CB 3.45Å; F189-K194 HydrophobicContact CD2-CG 4.48Å; F189-K194 HydrophobicContact CE2-CB 3.81Å; F189-K194 HydrophobicContact CE2-CD 4.32Å; F189-K194 HydrophobicContact CG-CB 4.24Å; G192-K194 PolarHBondContact O-N 3.04Å
195	D	86.6	Confident	93.6	Very high	2 Å²	2	25.7 Å²	25.7	1%	0.011	14%	0.143	C	C	.	.	B	Isolated β-bridge	trans	-166.6	159.3	-178.1	-161.6	11.8	0	0	0	114.1	I25 V26 A222 G228	I25-D195 WeakPolarHBondContact CG2-O 3.41Å; V26-D195 PolarHBondContact O-N 3.44Å; V26-D195 VanDerWaalsContact O-N 3.07Å; D195-A222 VanDerWaalsContact CB-CA 3.48Å; D195-A222 HydrophobicContact CB-CB 3.71Å; D195-A222 PolarHBondContact OD2-N 2.69Å; D195-A222 VanDerWaalsContact OD2-N 3.11Å; D195-G228 WeakPolarHBondContact OD1-CA 3.48Å; D195-G228 PolarHBondContact OD1-N 3.43Å; D195-G228 VanDerWaalsContact OD1-N 3.12Å; D195-G228 PolarHBondContact OD2-N 2.89Å
196	S	82.3	Confident	93.6	Very high	10 Å²	10	25.4 Å²	25.4	7%	0.07	14%	0.142	C	C	.	.			trans	-68.9	160	163.9	63.4	0	0	0	0	112	Y230	S196-Y230 PolarHBondContact OG-OH 3.11Å
197	C	89.6	Confident	93.6	Very high	9 Å²	9	25.5 Å²	25.5	6%	0.061	14%	0.143	C	C	.	.			trans	-146	-174.6	-173.4	-157.4	0	0	0	0	114.1	V26 N147 G199 D200 C221	V26-C197 HydrophobicContact CG2-CB 4.21Å; N147-C197 HydrophobicContact CB-CB 4.31Å; N147-C197 WeakPolarHBondContact O-CB 3.39Å; C197-G199 PolarHBondContact O-N 3.39Å; C197-D200 PolarHBondContact N-OD2 2.92Å; C197-D200 WeakPolarHBondContact O-CB 2.91Å; C197-D200 PolarHBondContact O-N 2.76Å; C197-C221 WeakPolarHBondContact CA-SG 3.42Å; C197-C221 HydrophobicContact CB-CB 3.68Å; C197-C221 WeakPolarHBondContact CB-SG 3.24Å; C197-C221 WeakPolarHBondContact SG-CB 3.31Å; C197-C221 CovalentContact SG-SG 2.03Å; C197-C221 PolarHBondContact SG-SG 3.45Å
198	Q	86.1	Confident	93.6	Very high	93 Å²	93	32.7 Å²	32.7	44%	0.435	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.9	128.5	-178.2	-64.3	80.6	37.5	0	0	110.7	G146 N147 Y155 C221	G146-Q198 CarbonylContact C-O 3.58Å; G146-Q198 WeakPolarHBondContact CA-O 3.31Å; N147-Q198 PolarHBondContact N-O 3.42Å; Y155-Q198 WeakPolarHBondContact CE1-O 3.41Å; Q198-C221 PolarHBondContact NE2-SG 3.15Å; Q198-C221 PolarHBondContact OE1-SG 3.36Å
199	G	88.2	Confident	93.6	Very high	14 Å²	14	35.1 Å²	35.1	14%	0.144	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	100.8	-27.3	-173.7	0	0	0	0	0	113.9	H47 C197 S201	H47-G199 PolarHBondContact NE2-O 3.3Å; C197-G199 PolarHBondContact O-N 3.39Å; G199-S201 PolarHBondContact O-N 3.39Å
200	D	95.9	Very high	93.8	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.8	-19	171.9	-63.8	-43.6	0	0	0	112.2	G144 W145 G146 C197 G202 G203 V215	G144-D200 VanDerWaalsContact C-OD1 3.28Å; G144-D200 VanDerWaalsContact CA-OD1 3.23Å; G144-D200 WeakPolarHBondContact CA-OD1 3.16Å; W145-D200 PolarHBondContact N-OD1 3Å; G146-D200 VanDerWaalsContact CA-OD1 3.3Å; G146-D200 WeakPolarHBondContact CA-OD1 3.45Å; G146-D200 PolarHBondContact N-OD1 3.15Å; C197-D200 PolarHBondContact N-OD2 2.92Å; C197-D200 WeakPolarHBondContact O-CB 2.91Å; C197-D200 PolarHBondContact O-N 2.76Å; D200-G202 PolarHBondContact O-N 3.12Å; D200-G203 VanDerWaalsContact O-CA 3.31Å; D200-G203 WeakPolarHBondContact O-CA 3.18Å; D200-G203 PolarHBondContact O-N 3.07Å; D200-V215 HydrophobicContact CB-CG1 4.04Å; D200-V215 HydrophobicContact CB-CG2 4.36Å; D200-V215 WeakPolarHBondContact O-CB 3.48Å; D200-V215 WeakPolarHBondContact O-CG2 3.3Å
201	S	97.8	Very high	93.9	Very high	21 Å²	21	32.6 Å²	32.6	15%	0.147	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	-37.5	131	174.5	-75	0	0	0	0	113.6	C49 G50 H64 G199 G203	C49-S201 CarbonylContact C-O 3.46Å; C49-S201 WeakPolarHBondContact CA-O 3.4Å; C49-S201 WeakPolarHBondContact CB-O 3.16Å; G50-S201 PolarHBondContact N-O 3.4Å; H64-S201 PolarHBondContact CE1-OG 2.97Å; H64-S201 WeakPolarHBondContact NE2-CB 3.05Å; H64-S201 PolarHBondContact NE2-OG 3.37Å; G199-S201 PolarHBondContact O-N 3.39Å; S201-G203 PolarHBondContact O-N 2.86Å
202	G	98.7	Very high	94.1	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	17%	0.167	C	C	.	.	T	Hydrogen-bonded Turn	trans	79.1	-11.2	-174.9	0	0	0	0	0	115.1	G50 G51 S61 D200 V215	G50-G202 VanDerWaalsContact C-C 3.45Å; G50-G202 CarbonylContact C-O 3.58Å; G50-G202 CarbonylContact O-C 3.57Å; G50-G202 VanDerWaalsContact O-C 3.27Å; G50-G202 WeakPolarHBondContact O-CA 3.38Å; G51-G202 WeakPolarHBondContact CA-O 3.16Å; G51-G202 PolarHBondContact N-O 2.83Å; S61-G202 WeakPolarHBondContact OG-CA 3.49Å; D200-G202 PolarHBondContact O-N 3.12Å; G202-V215 PolarHBondContact N-O 2.68Å
203	G	98.7	Very high	94.5	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	16%	0.161	C	C	.	.			trans	-65.2	162.5	174.8	0	0	0	0	0	113.7	D200 S201 V214 V215	D200-G203 VanDerWaalsContact O-CA 3.31Å; D200-G203 WeakPolarHBondContact O-CA 3.18Å; D200-G203 PolarHBondContact O-N 3.07Å; S201-G203 PolarHBondContact O-N 2.86Å; G203-V214 WeakPolarHBondContact O-CA 3.44Å; G203-V215 PolarHBondContact O-N 3.06Å
204	P	98.8	Very high	95	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	146.6	-176.4	29.5	-33.9	0	0	0	113.3	Y38 Q39 S52 V142 V206 L211	Y38-P204 HydrophobicContact CD2-CB 4.3Å; Y38-P204 HydrophobicContact CD2-CG 4.15Å; Y38-P204 HydrophobicContact CE2-CB 3.96Å; Y38-P204 HydrophobicContact CE2-CG 3.73Å; Q39-P204 VanDerWaalsContact OE1-CG 3.22Å; S52-P204 WeakPolarHBondContact OG-CB 3.25Å; V142-P204 WeakPolarHBondContact CA-O 3.32Å; P204-V206 HydrophobicContact CB-CG2 3.91Å; P204-L211 HydrophobicContact CB-CD1 3.68Å
205	V	98.8	Very high	95.6	Very high	0 Å²	0	20.3 Å²	20.3	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	109.9	151.2	-178.7	0	0	0	0	108.6	C140 L141 V142 L164 F185 Q212 G213 Y230	C140-V205 HydrophobicContact CB-CG1 3.56Å; L141-V205 WeakPolarHBondContact O-CA 3.49Å; V142-V205 HydrophobicContact CB-CG2 4.19Å; V142-V205 HydrophobicContact CG2-CG2 4.07Å; L164-V205 HydrophobicContact CD1-CG1 4.28Å; F185-V205 HydrophobicContact CZ-CG1 4.47Å; V205-Q212 PolarHBondContact O-N 3.28Å; V205-G213 PolarHBondContact N-O 3.26Å; V205-G213 PolarHBondContact O-N 2.82Å; V205-G213 VanDerWaalsContact O-N 3.14Å; V205-Y230 HydrophobicContact CG2-CD1 3.24Å; V205-Y230 HydrophobicContact CG2-CE1 3.41Å; V205-Y230 VanDerWaalsContact CG2-CE1 3.41Å; V205-Y230 HydrophobicContact CG2-CG 4.03Å
206	V	98.8	Very high	96.1	Very high	12 Å²	12	20.4 Å²	20.4	7%	0.073	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	122.3	-176.4	-174.6	0	0	0	0	110.4	Y38 V127 C140 L141 P204 Q210 L211	Y38-V206 HydrophobicContact CD2-CG2 4.33Å; Y38-V206 HydrophobicContact CE1-CG2 4.32Å; Y38-V206 HydrophobicContact CE2-CG2 3.52Å; Y38-V206 WeakPolarHBondContact OH-CG2 3.37Å; V127-V206 HydrophobicContact CG2-CG1 4.05Å; V127-V206 HydrophobicContact CG2-CG2 3.9Å; C140-V206 CarbonylContact C-O 3.47Å; C140-V206 WeakPolarHBondContact CA-O 3.08Å; C140-V206 WeakPolarHBondContact CB-O 3.04Å; L141-V206 PolarHBondContact N-O 2.03Å; L141-V206 PolarHBondContact O-N 3.28Å; P204-V206 HydrophobicContact CB-CG2 3.91Å; V206-Q210 CarbonylContact C-O 3.55Å; V206-Q210 WeakPolarHBondContact CA-O 3.43Å; V206-L211 HydrophobicContact CG2-CD1 4.47Å
207	C	98.5	Very high	96.9	Very high	3 Å²	3	21.8 Å²	21.8	2%	0.02	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	127.2	175.1	-36.8	0	0	0	0	108.3	T138 C140 G209 Q210 Q212	T138-C207 HydrophobicContact CG2-CB 3.78Å; C140-C207 HydrophobicContact CB-CB 3.91Å; C140-C207 WeakPolarHBondContact CB-SG 3.33Å; C140-C207 WeakPolarHBondContact SG-CB 3.4Å; C140-C207 CovalentContact SG-SG 2.02Å; C140-C207 PolarHBondContact SG-SG 2.78Å; C207-G209 PolarHBondContact O-N 3.01Å; C207-G209 VanDerWaalsContact O-N 3.17Å; C207-Q210 PolarHBondContact N-O 2.76Å; C207-Q210 PolarHBondContact O-N 3.48Å; C207-Q212 HydrophobicContact CB-CB 4.46Å; C207-Q212 HydrophobicContact CB-CG 3.86Å; C207-Q212 VanDerWaalsContact SG-CB 3.58Å
208	N	97.3	Very high	97	Very high	151 Å²	151	22.7 Å²	22.7	81%	0.807	14%	0.138	S	C	*	.	T	Hydrogen-bonded Turn	trans	50.1	39.5	-179.9	-56.8	-31.3	0	0	0	113.8	Q210	N208-Q210 VanDerWaalsContact C-N 3.29Å; N208-Q210 PolarHBondContact O-N 3.12Å
209	G	97.9	Very high	97.2	Very high	52 Å²	52	23.1 Å²	23.1	54%	0.536	14%	0.137	S	C	.	.	T	Hydrogen-bonded Turn	trans	76.5	5.4	-178.9	0	0	0	0	0	115.9	C207	C207-G209 PolarHBondContact O-N 3.01Å; C207-G209 VanDerWaalsContact O-N 3.17Å
210	Q	98.8	Very high	97.2	Very high	43 Å²	43	24 Å²	24	20%	0.201	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	138.2	179	-66.4	-176.7	-11.7	0	0	112.2	A128 P130 S131 V206 C207 N208 Q212	A128-Q210 HydrophobicContact CB-CG 4.37Å; A128-Q210 WeakPolarHBondContact O-CA 3.37Å; P130-Q210 HydrophobicContact CB-CB 4.37Å; S131-Q210 VanDerWaalsContact N-OE1 3.11Å; S131-Q210 PolarHBondContact OG-NE2 3.16Å; S131-Q210 PolarHBondContact OG-OE1 2.8Å; V206-Q210 CarbonylContact C-O 3.55Å; V206-Q210 WeakPolarHBondContact CA-O 3.43Å; C207-Q210 PolarHBondContact N-O 2.76Å; C207-Q210 PolarHBondContact O-N 3.48Å; N208-Q210 VanDerWaalsContact C-N 3.29Å; N208-Q210 PolarHBondContact O-N 3.12Å; Q210-Q212 PolarHBondContact O-N 3.01Å
211	L	98.9	Very high	96.7	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.4	96	175.5	-176	67.7	0	0	0	110	S52 I54 V60 V127 A128 P130 P204 V206 G213 V233	S52-L211 WeakPolarHBondContact OG-CD1 3.43Å; I54-L211 HydrophobicContact CG2-CD2 4.01Å; V60-L211 HydrophobicContact CB-CD2 4.14Å; V60-L211 HydrophobicContact CG1-CD2 4.16Å; V60-L211 HydrophobicContact CG2-CD2 4.47Å; V127-L211 HydrophobicContact CG1-CB 3.92Å; V127-L211 HydrophobicContact CG1-CD1 4.45Å; V127-L211 HydrophobicContact CG1-CD2 4.21Å; V127-L211 HydrophobicContact CG1-CG 4.42Å; V127-L211 HydrophobicContact CG2-CB 3.94Å; A128-L211 PolarHBondContact O-N 3.47Å; P130-L211 VanDerWaalsContact CD-O 3.25Å; P130-L211 WeakPolarHBondContact CD-O 3.48Å; P130-L211 WeakPolarHBondContact CG-O 3.39Å; P204-L211 HydrophobicContact CB-CD1 3.68Å; V206-L211 HydrophobicContact CG2-CD1 4.47Å; L211-G213 VanDerWaalsContact CD1-O 3.28Å; L211-G213 WeakPolarHBondContact CD1-O 3.39Å; L211-V233 HydrophobicContact CD2-CG1 4.49Å; L211-V233 HydrophobicContact CG-CG1 4.47Å; L211-V233 HydrophobicContact CG-CG2 4.29Å; L211-V233 WeakPolarHBondContact O-CB 3.16Å; L211-V233 WeakPolarHBondContact O-CG1 3.33Å
212	Q	98.9	Very high	96.2	Very high	11 Å²	11	23.9 Å²	23.9	5%	0.051	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	-27.8	-178.6	-69.1	-73.9	-14.6	0	0	112.2	P130 S132 A134 F185 V205 C207 Q210 V233	P130-Q212 VanDerWaalsContact CB-NE2 3.3Å; S132-Q212 PolarHBondContact O-NE2 3.41Å; S132-Q212 PolarHBondContact O-OE1 3.46Å; A134-Q212 HydrophobicContact CB-CB 4.42Å; A134-Q212 HydrophobicContact CB-CG 3.78Å; F185-Q212 WeakPolarHBondContact CE1-O 3.45Å; V205-Q212 PolarHBondContact O-N 3.28Å; C207-Q212 HydrophobicContact CB-CB 4.46Å; C207-Q212 HydrophobicContact CB-CG 3.86Å; C207-Q212 VanDerWaalsContact SG-CB 3.58Å; Q210-Q212 PolarHBondContact O-N 3.01Å; Q212-V233 PolarHBondContact O-N 3.44Å
213	G	98.8	Very high	95.8	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	160.3	-179.8	0	0	0	0	0	114.6	V205 L211 T231	V205-G213 PolarHBondContact N-O 3.26Å; V205-G213 PolarHBondContact O-N 2.82Å; V205-G213 VanDerWaalsContact O-N 3.14Å; L211-G213 VanDerWaalsContact CD1-O 3.28Å; L211-G213 WeakPolarHBondContact CD1-O 3.39Å; G213-T231 VanDerWaalsContact CA-O 3.29Å; G213-T231 WeakPolarHBondContact CA-O 3.23Å
214	V	98.9	Very high	95.6	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	-120.7	133.1	164.4	177.6	0	0	0	0	107.3	V60 A62 G203 S216 Y230 T231 V233	V60-V214 HydrophobicContact CG1-CG2 3.64Å; A62-V214 HydrophobicContact CB-CG1 4.01Å; G203-V214 WeakPolarHBondContact O-CA 3.44Å; V214-S216 PolarHBondContact O-N 3.07Å; V214-Y230 CarbonylContact O-C 3.37Å; V214-Y230 VanDerWaalsContact O-CA 3.23Å; V214-Y230 WeakPolarHBondContact O-CA 3.37Å; V214-Y230 WeakPolarHBondContact O-CB 3.28Å; V214-T231 PolarHBondContact N-O 3.33Å; V214-T231 PolarHBondContact O-N 2.99Å; V214-V233 HydrophobicContact CG2-CG2 3.76Å
215	V	98.8	Very high	95.4	Very high	5 Å²	5	41.8 Å²	41.8	3%	0.03	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.5	122	174.8	-176.6	0	0	0	0	109	V142 D200 G202 G203 Y230	V142-V215 HydrophobicContact CG2-CG2 3.66Å; D200-V215 HydrophobicContact CB-CG1 4.04Å; D200-V215 HydrophobicContact CB-CG2 4.36Å; D200-V215 WeakPolarHBondContact O-CB 3.48Å; D200-V215 WeakPolarHBondContact O-CG2 3.3Å; G202-V215 PolarHBondContact N-O 2.68Å; G203-V215 PolarHBondContact O-N 3.06Å; V215-Y230 HydrophobicContact CB-CD1 4.47Å; V215-Y230 HydrophobicContact CB-CE1 4.46Å; V215-Y230 HydrophobicContact CG2-CD1 4.29Å; V215-Y230 HydrophobicContact CG2-CE1 4.01Å
216	S	98.4	Very high	95.3	Very high	4 Å²	4	44.2 Å²	44.2	3%	0.028	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	-64.9	-173.1	-178.7	0	0	0	0	112.1	H64 D108 V214 V229	H64-S216 PolarHBondContact CE1-O 3.39Å; D108-S216 WeakPolarHBondContact OD2-CB 3.43Å; D108-S216 PolarHBondContact OD2-OG 2.83Å; V214-S216 PolarHBondContact O-N 3.07Å; S216-V229 WeakPolarHBondContact CB-O 3.03Å; S216-V229 PolarHBondContact N-O 2.03Å
217	W	97.6	Very high	95.2	Very high	40 Å²	40	43.7 Å²	43.7	15%	0.152	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.4	169.5	-178.1	64.7	-87.2	0	0	0	114.3	L105 Y176 Q179 I180 M184 Y219 V229	L105-W217 HydrophobicContact CD1-CB 3.58Å; L105-W217 HydrophobicContact CD1-CG 3.72Å; Y176-W217 AromaticContact CD1-CH2 3.75Å; Y176-W217 HydrophobicContact CD1-CH2 3.75Å; Y176-W217 AromaticContact CD1-CZ3 3.62Å; Y176-W217 HydrophobicContact CD1-CZ3 3.62Å; Y176-W217 HydrophobicContact CD2-CH2 4.49Å; Y176-W217 HydrophobicContact CE1-CH2 4.19Å; Y176-W217 AromaticContact CE1-CZ3 3.63Å; Y176-W217 HydrophobicContact CE1-CZ3 3.63Å; Y176-W217 AromaticContact CG-CH2 3.91Å; Y176-W217 HydrophobicContact CG-CH2 3.91Å; Y176-W217 HydrophobicContact CG-CZ3 4.21Å; Q179-W217 HydrophobicContact CB-CH2 4.13Å; Q179-W217 HydrophobicContact CB-CZ2 4.45Å; I180-W217 HydrophobicContact CD1-CH2 4.24Å; I180-W217 HydrophobicContact CD1-CZ2 4Å; M184-W217 HydrophobicContact SD-CZ2 4.17Å; W217-Y219 HydrophobicContact CE3-CD1 4.22Å; W217-Y219 HydrophobicContact CE3-CE1 4.31Å; W217-Y219 AromaticContact CZ3-CD1 3.9Å; W217-Y219 HydrophobicContact CZ3-CD1 3.9Å; W217-Y219 AromaticContact CZ3-CE1 3.76Å; W217-Y219 HydrophobicContact CZ3-CE1 3.76Å; W217-V229 HydrophobicContact CD2-CB 3.91Å; W217-V229 HydrophobicContact CD2-CG1 4.4Å; W217-V229 HydrophobicContact CD2-CG2 4.05Å; W217-V229 HydrophobicContact CE3-CB 4.48Å; W217-V229 HydrophobicContact CE3-CG2 4.14Å; W217-V229 HydrophobicContact CG-CB 4.19Å; W217-V229 HydrophobicContact CH2-CG2 4Å; W217-V229 HydrophobicContact CZ2-CB 4.15Å; W217-V229 HydrophobicContact CZ2-CG1 3.95Å; W217-V229 HydrophobicContact CZ2-CG2 3.91Å; W217-V229 HydrophobicContact CZ3-CG2 4.11Å; W217-V229 PolarHBondContact N-O 3.02Å; W217-V229 WeakPolarHBondContact O-CA 3.34Å; W217-V229 WeakPolarHBondContact O-CB 3.39Å; W217-V229 PolarHBondContact O-N 3.22Å
218	G	93	Very high	95.2	Very high	27 Å²	27	43.6 Å²	43.6	28%	0.278	23%	0.231	S	C	.	.			trans	-164.9	165.7	172.8	0	0	0	0	0	109.9
219	Y	89.3	Confident	95.3	Very high	103 Å²	103	36.5 Å²	36.5	40%	0.404	19%	0.193	S	C	.	.	S	Bend	trans	-93.8	103.7	171.5	-79.9	11.8	0	0	0	109.5	Y176 Q179 W217 Q223 K226	Y176-Y219 HydrophobicContact CD1-CD2 4.47Å; Y176-Y219 HydrophobicContact CD1-CG 4.47Å; Y176-Y219 HydrophobicContact CE1-CD1 4.02Å; Y176-Y219 HydrophobicContact CE1-CD2 4.13Å; Y176-Y219 AromaticContact CE1-CG 3.8Å; Y176-Y219 HydrophobicContact CE1-CG 3.8Å; Y176-Y219 PolarHBondContact OH-N 2.97Å; Q179-Y219 PolarHBondContact NE2-OH 3.22Å; Q179-Y219 PolarHBondContact OE1-OH 3.07Å; W217-Y219 HydrophobicContact CE3-CD1 4.22Å; W217-Y219 HydrophobicContact CE3-CE1 4.31Å; W217-Y219 AromaticContact CZ3-CD1 3.9Å; W217-Y219 HydrophobicContact CZ3-CD1 3.9Å; W217-Y219 AromaticContact CZ3-CE1 3.76Å; W217-Y219 HydrophobicContact CZ3-CE1 3.76Å; Y219-Q223 PolarHBondContact O-OE1 2.89Å; Y219-K226 HydrophobicContact CD2-CD 4.22Å; Y219-K226 HydrophobicContact CG-CD 4.48Å
220	G	88.3	Confident	95.3	Very high	32 Å²	32	34 Å²	34	33%	0.33	17%	0.167	S	C	.	.	S	Bend	trans	67.1	-151.8	-164.4	0	0	0	0	0	110.6
221	C	86.5	Confident	95.3	Very high	5 Å²	5	32.1 Å²	32.1	3%	0.034	16%	0.158	C	C	.	.	S	Bend	trans	-135.6	136.7	170.2	-47.6	0	0	0	0	108.3	V26 C197 Q198 Q223	V26-C221 HydrophobicContact CG2-CB 4.06Å; C197-C221 WeakPolarHBondContact CA-SG 3.42Å; C197-C221 HydrophobicContact CB-CB 3.68Å; C197-C221 WeakPolarHBondContact CB-SG 3.24Å; C197-C221 WeakPolarHBondContact SG-CB 3.31Å; C197-C221 CovalentContact SG-SG 2.03Å; C197-C221 PolarHBondContact SG-SG 3.45Å; Q198-C221 PolarHBondContact NE2-SG 3.15Å; Q198-C221 PolarHBondContact OE1-SG 3.36Å; C221-Q223 PolarHBondContact O-N 3.04Å
222	A	86.8	Confident	95.3	Very high	14 Å²	14	34.8 Å²	34.8	12%	0.116	17%	0.17	C	C	.	.	S	Bend	trans	56	26	174.3	0	0	0	0	0	114.7	V26 G192 G193 D195	V26-A222 HydrophobicContact CB-CB 3.84Å; V26-A222 HydrophobicContact CG1-CB 3.47Å; V26-A222 VanDerWaalsContact CG1-CB 3.47Å; V26-A222 HydrophobicContact CG2-CB 4.48Å; G192-A222 CarbonylContact C-O 3.58Å; G192-A222 WeakPolarHBondContact CA-O 3.36Å; G193-A222 PolarHBondContact N-O 3.4Å; D195-A222 VanDerWaalsContact CB-CA 3.48Å; D195-A222 HydrophobicContact CB-CB 3.71Å; D195-A222 PolarHBondContact OD2-N 2.69Å; D195-A222 VanDerWaalsContact OD2-N 3.11Å
223	Q	90.6	Very high	95.3	Very high	99 Å²	99	34.2 Å²	34.2	46%	0.463	17%	0.168	S	C	.	.	B	Isolated β-bridge	trans	-78.4	143.6	175.6	-65.8	-173.8	5.3	0	0	110.3	Y219 C221 N225 K226	Y219-Q223 PolarHBondContact O-OE1 2.89Å; C221-Q223 PolarHBondContact O-N 3.04Å; Q223-N225 PolarHBondContact O-N 3.37Å; Q223-K226 HydrophobicContact CB-CB 3.99Å; Q223-K226 HydrophobicContact CB-CG 4.28Å; Q223-K226 PolarHBondContact O-N 3.13Å
224	R	93.2	Very high	95.3	Very high	191 Å²	191	34.9 Å²	34.9	72%	0.721	17%	0.172	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58	133.2	178	-172.3	175	-177.8	172.7	3.4	110.8	M190 K226	M190-R224 WeakPolarHBondContact O-CG 3.29Å; R224-K226 PolarHBondContact O-N 2.8Å
225	N	95.7	Very high	95.3	Very high	85 Å²	85	38 Å²	38	46%	0.455	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	60.4	17.6	-173.1	-53.2	-49.5	0	0	0	115.4	A175 M190 Q223	A175-N225 WeakPolarHBondContact CB-O 3.02Å; M190-N225 HydrophobicContact CE-CB 4.1Å; M190-N225 PolarHBondContact O-N 3.25Å; Q223-N225 PolarHBondContact O-N 3.37Å
226	K	96.6	Very high	95.3	Very high	51 Å²	51	38.1 Å²	38.1	22%	0.222	19%	0.189	C	C	.	.	B	Isolated β-bridge	trans	-129.6	71.2	177.1	-60.3	-62	175.1	-178.6	0	110.6	A175 Y176 Y219 Q223 R224	A175-K226 PolarHBondContact O-NZ 3.45Å; Y176-K226 HydrophobicContact CD1-CD 4.42Å; Y176-K226 HydrophobicContact CE1-CD 3.73Å; Y176-K226 WeakPolarHBondContact OH-CA 3.49Å; Y219-K226 HydrophobicContact CD2-CD 4.22Å; Y219-K226 HydrophobicContact CG-CD 4.48Å; Q223-K226 HydrophobicContact CB-CB 3.99Å; Q223-K226 HydrophobicContact CB-CG 4.28Å; Q223-K226 PolarHBondContact O-N 3.13Å; R224-K226 PolarHBondContact O-N 2.8Å
227	P	97.3	Very high	95.3	Very high	2 Å²	2	41.4 Å²	41.4	1%	0.013	20%	0.202	C	C	.	.			trans	-68.8	156.1	174.6	32.2	-36.7	0	0	0	111	L167 A175 Y176 C186 M190	L167-P227 HydrophobicContact CD1-CB 3.52Å; L167-P227 HydrophobicContact CD1-CG 3.57Å; A175-P227 HydrophobicContact CB-CG 4.35Å; Y176-P227 HydrophobicContact CE2-CG 4.22Å; Y176-P227 VanDerWaalsContact CE2-O 3.25Å; Y176-P227 WeakPolarHBondContact CE2-O 3.5Å; Y176-P227 PolarHBondContact OH-O 2.8Å; C186-P227 HydrophobicContact CB-CB 4.41Å; C186-P227 HydrophobicContact CB-CG 3.92Å; M190-P227 HydrophobicContact SD-CG 3.91Å
228	G	97.7	Very high	95.3	Very high	1 Å²	1	44.2 Å²	44.2	1%	0.01	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-56.8	147.6	170.2	0	0	0	0	0	113.1	C186 A187 D195 Y230	C186-G228 VanDerWaalsContact CA-O 3.26Å; C186-G228 WeakPolarHBondContact CA-O 3.21Å; A187-G228 PolarHBondContact N-O 3.18Å; A187-G228 VanDerWaalsContact N-O 3.12Å; D195-G228 WeakPolarHBondContact OD1-CA 3.48Å; D195-G228 PolarHBondContact OD1-N 3.43Å; D195-G228 VanDerWaalsContact OD1-N 3.12Å; D195-G228 PolarHBondContact OD2-N 2.89Å; G228-Y230 WeakPolarHBondContact O-CD2 3.26Å; G228-Y230 WeakPolarHBondContact O-CE2 3.46Å
229	V	98.6	Very high	95.5	Very high	1 Å²	1	44.9 Å²	44.9	1%	0.006	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	131.6	177.6	-171.9	0	0	0	0	109	Y176 I180 M184 S216 W217	Y176-V229 HydrophobicContact CD2-CG2 3.9Å; Y176-V229 HydrophobicContact CE2-CG2 3.53Å; I180-V229 HydrophobicContact CD1-CG1 3.93Å; I180-V229 HydrophobicContact CD1-CG2 4.03Å; M184-V229 HydrophobicContact CB-CG1 3.9Å; M184-V229 HydrophobicContact CG-CG1 4.12Å; M184-V229 HydrophobicContact SD-CG1 4.01Å; S216-V229 WeakPolarHBondContact CB-O 3.03Å; S216-V229 PolarHBondContact N-O 2.03Å; W217-V229 HydrophobicContact CD2-CB 3.91Å; W217-V229 HydrophobicContact CD2-CG1 4.4Å; W217-V229 HydrophobicContact CD2-CG2 4.05Å; W217-V229 HydrophobicContact CE3-CB 4.48Å; W217-V229 HydrophobicContact CE3-CG2 4.14Å; W217-V229 HydrophobicContact CG-CB 4.19Å; W217-V229 HydrophobicContact CH2-CG2 4Å; W217-V229 HydrophobicContact CZ2-CB 4.15Å; W217-V229 HydrophobicContact CZ2-CG1 3.95Å; W217-V229 HydrophobicContact CZ2-CG2 3.91Å; W217-V229 HydrophobicContact CZ3-CG2 4.11Å; W217-V229 PolarHBondContact N-O 3.02Å; W217-V229 WeakPolarHBondContact O-CA 3.34Å; W217-V229 WeakPolarHBondContact O-CB 3.39Å; W217-V229 PolarHBondContact O-N 3.22Å
230	Y	98.9	Very high	96	Very high	1 Å²	1	40 Å²	40	0%	0.004	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	141.1	-168.2	-55.6	-92.3	0	0	0	110.7	V142 L164 M184 F185 A187 S196 V205 V214 V215 G228 K232	V142-Y230 HydrophobicContact CG2-CE1 4.33Å; L164-Y230 VanDerWaalsContact CD2-OH 3.29Å; L164-Y230 WeakPolarHBondContact CD2-OH 3.29Å; M184-Y230 WeakPolarHBondContact CA-O 3.05Å; F185-Y230 HydrophobicContact CD2-CD2 4.49Å; F185-Y230 HydrophobicContact CE2-CD2 4.21Å; F185-Y230 HydrophobicContact CE2-CG 4.31Å; F185-Y230 HydrophobicContact CZ-CG 4.27Å; F185-Y230 PolarHBondContact N-O 2.03Å; F185-Y230 PolarHBondContact O-N 3.32Å; A187-Y230 HydrophobicContact CB-CD2 3.79Å; A187-Y230 HydrophobicContact CB-CE2 3.5Å; A187-Y230 WeakPolarHBondContact O-CE2 3.32Å; S196-Y230 PolarHBondContact OG-OH 3.11Å; V205-Y230 HydrophobicContact CG2-CD1 3.24Å; V205-Y230 HydrophobicContact CG2-CE1 3.41Å; V205-Y230 VanDerWaalsContact CG2-CE1 3.41Å; V205-Y230 HydrophobicContact CG2-CG 4.03Å; V214-Y230 CarbonylContact O-C 3.37Å; V214-Y230 VanDerWaalsContact O-CA 3.23Å; V214-Y230 WeakPolarHBondContact O-CA 3.37Å; V214-Y230 WeakPolarHBondContact O-CB 3.28Å; V215-Y230 HydrophobicContact CB-CD1 4.47Å; V215-Y230 HydrophobicContact CB-CE1 4.46Å; V215-Y230 HydrophobicContact CG2-CD1 4.29Å; V215-Y230 HydrophobicContact CG2-CE1 4.01Å; G228-Y230 WeakPolarHBondContact O-CD2 3.26Å; G228-Y230 WeakPolarHBondContact O-CE2 3.46Å; Y230-K232 PolarHBondContact O-N 3.14Å
231	T	98.9	Very high	96.5	Very high	2 Å²	2	41.5 Å²	41.5	1%	0.012	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.5	127.9	175.9	-47.9	0	0	0	0	110.1	D108 I109 G213 V214 V233 Y236	D108-T231 PolarHBondContact O-OG1 2.78Å; I109-T231 HydrophobicContact CB-CG2 4.14Å; G213-T231 VanDerWaalsContact CA-O 3.29Å; G213-T231 WeakPolarHBondContact CA-O 3.23Å; V214-T231 PolarHBondContact N-O 3.33Å; V214-T231 PolarHBondContact O-N 2.99Å; T231-V233 PolarHBondContact O-N 2.95Å; T231-V233 VanDerWaalsContact O-N 3.12Å; T231-Y236 HydrophobicContact CG2-CD2 4.27Å; T231-Y236 HydrophobicContact CG2-CE2 3.62Å
232	K	98.8	Very high	97	Very high	56 Å²	56	44.5 Å²	44.5	24%	0.243	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	87.6	-168.8	-166	176.4	-179.2	177.6	0	111.9	N183 F185 Y230 C234 N235 Y236	N183-K232 WeakPolarHBondContact O-CB 3.37Å; N183-K232 PolarHBondContact O-N 2.91Å; F185-K232 HydrophobicContact CD1-CB 3.92Å; F185-K232 HydrophobicContact CD1-CG 4Å; F185-K232 HydrophobicContact CE1-CB 4.48Å; Y230-K232 PolarHBondContact O-N 3.14Å; K232-C234 PolarHBondContact O-N 2.65Å; K232-N235 WeakPolarHBondContact O-CB 3.21Å; K232-N235 PolarHBondContact O-N 3.44Å; K232-Y236 WeakPolarHBondContact O-CD2 3.41Å
233	V	98.9	Very high	97.6	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	23%	0.229	C	C	.	.	G	3₁₀ helix	trans	-56.9	-30.3	-168.3	179.3	0	0	0	0	113.7	L129 P130 L211 Q212 V214 T231 N235 Y236 I240	L129-V233 HydrophobicContact CD2-CG1 4.29Å; P130-V233 HydrophobicContact CG-CB 4.41Å; P130-V233 HydrophobicContact CG-CG1 4.1Å; L211-V233 HydrophobicContact CD2-CG1 4.49Å; L211-V233 HydrophobicContact CG-CG1 4.47Å; L211-V233 HydrophobicContact CG-CG2 4.29Å; L211-V233 WeakPolarHBondContact O-CB 3.16Å; L211-V233 WeakPolarHBondContact O-CG1 3.33Å; Q212-V233 PolarHBondContact O-N 3.44Å; V214-V233 HydrophobicContact CG2-CG2 3.76Å; T231-V233 PolarHBondContact O-N 2.95Å; T231-V233 VanDerWaalsContact O-N 3.12Å; V233-N235 PolarHBondContact O-N 3.24Å; V233-N235 VanDerWaalsContact O-N 3.15Å; V233-Y236 PolarHBondContact O-N 2.74Å; V233-I240 HydrophobicContact CG1-CD1 4.25Å
234	C	98.6	Very high	98	Very high	13 Å²	13	42 Å²	42	9%	0.088	22%	0.217	C	C	.	.	G	3₁₀ helix	trans	-60.5	-22.7	177.2	67.2	0	0	0	0	114.4	P130 C133 K232 Y236	P130-C234 HydrophobicContact CB-CB 4.38Å; P130-C234 HydrophobicContact CG-CB 3.96Å; C133-C234 WeakPolarHBondContact CA-SG 3.44Å; C133-C234 HydrophobicContact CB-CB 3.86Å; C133-C234 WeakPolarHBondContact CB-SG 3.35Å; C133-C234 WeakPolarHBondContact SG-CB 3.16Å; C133-C234 CovalentContact SG-SG 2.03Å; C133-C234 PolarHBondContact SG-SG 3.43Å; K232-C234 PolarHBondContact O-N 2.65Å; C234-Y236 VanDerWaalsContact C-N 3.31Å
235	N	98.8	Very high	98.2	Very high	67 Å²	67	37.5 Å²	37.5	36%	0.358	22%	0.215	S	C	.	.	G	3₁₀ helix	trans	-74.2	-22.8	173.8	-66.4	10.6	0	0	0	112.1	S182 N183 K232 V233	S182-N235 PolarHBondContact O-ND2 2.69Å; N183-N235 PolarHBondContact OD1-ND2 3.15Å; K232-N235 WeakPolarHBondContact O-CB 3.21Å; K232-N235 PolarHBondContact O-N 3.44Å; V233-N235 PolarHBondContact O-N 3.24Å; V233-N235 VanDerWaalsContact O-N 3.15Å
236	Y	98.8	Very high	98.3	Very high	6 Å²	6	37.4 Å²	37.4	2%	0.024	22%	0.221	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.7	-3	-167.1	-66.7	-74.3	0	0	0	115.1	H97 N107 I109 N183 T231 K232 V233 C234 S238 W239 I240	H97-Y236 AromaticContact CD2-CD1 3.61Å; H97-Y236 AromaticContact CD2-CE1 3.63Å; H97-Y236 AromaticContact NE2-CD1 3.7Å; H97-Y236 AromaticContact NE2-CE1 3.57Å; N107-Y236 VanDerWaalsContact CA-OH 3.28Å; N107-Y236 WeakPolarHBondContact CA-OH 3.27Å; N107-Y236 HydrophobicContact CB-CE1 4.25Å; N107-Y236 PolarHBondContact OD1-OH 2.73Å; I109-Y236 HydrophobicContact CD1-CD2 4.23Å; I109-Y236 HydrophobicContact CD1-CG 4.12Å; I109-Y236 HydrophobicContact CG2-CD1 3.76Å; I109-Y236 HydrophobicContact CG2-CD2 4.28Å; I109-Y236 HydrophobicContact CG2-CE1 3.89Å; I109-Y236 HydrophobicContact CG2-CE2 4.4Å; I109-Y236 HydrophobicContact CG2-CG 3.97Å; N183-Y236 HydrophobicContact CB-CE2 4.35Å; N183-Y236 WeakPolarHBondContact CB-OH 3.37Å; N183-Y236 PolarHBondContact ND2-OH 3.22Å; N183-Y236 PolarHBondContact OD1-OH 3.2Å; T231-Y236 HydrophobicContact CG2-CD2 4.27Å; T231-Y236 HydrophobicContact CG2-CE2 3.62Å; K232-Y236 WeakPolarHBondContact O-CD2 3.41Å; V233-Y236 PolarHBondContact O-N 2.74Å; C234-Y236 VanDerWaalsContact C-N 3.31Å; Y236-S238 VanDerWaalsContact C-N 3.3Å; Y236-S238 PolarHBondContact O-N 2.9Å; Y236-S238 VanDerWaalsContact O-N 3.16Å; Y236-W239 HydrophobicContact CD1-CE3 4.42Å; Y236-W239 PolarHBondContact O-N 3.49Å; Y236-I240 WeakPolarHBondContact O-CG1 3.27Å; Y236-I240 PolarHBondContact O-N 3.24Å
237	K	97.6	Very high	98.2	Very high	73 Å²	73	38.3 Å²	38.3	32%	0.317	23%	0.229	S	C	.	.	H	α-helix	trans	-50.6	-45.9	-173.6	-52.3	-169.6	-49.4	173.1	0	113.6	P130 S131 I240 S241	P130-K237 HydrophobicContact CG-CD 4.36Å; P130-K237 WeakPolarHBondContact O-CD 3.35Å; P130-K237 PolarHBondContact O-NZ 2.94Å; S131-K237 PolarHBondContact O-NZ 3.3Å; K237-I240 PolarHBondContact O-N 2.94Å; K237-S241 WeakPolarHBondContact O-CB 3.4Å; K237-S241 PolarHBondContact O-N 3.04Å; K237-S241 PolarHBondContact O-OG 3.16Å; K237-S241 VanDerWaalsContact O-OG 3.05Å
238	S	97.9	Very high	98.3	Very high	99 Å²	99	40.2 Å²	40.2	69%	0.692	24%	0.239	S	C	*	.	H	α-helix	trans	-66.2	-40.2	-179.3	-52.9	0	0	0	0	112.2	Y236 S242	Y236-S238 VanDerWaalsContact C-N 3.3Å; Y236-S238 PolarHBondContact O-N 2.9Å; Y236-S238 VanDerWaalsContact O-N 3.16Å; S238-S242 WeakPolarHBondContact O-CB 3.44Å; S238-S242 PolarHBondContact O-N 3.1Å
239	W	98.8	Very high	98.3	Very high	41 Å²	41	42.2 Å²	42.2	16%	0.155	25%	0.251	C	S	.	.	H	α-helix	trans	-67	-43.4	174.6	170.2	76.9	0	0	0	111.5	I95 H97 I109 L111 Y236 T243	I95-W239 HydrophobicContact CG2-CZ2 4.43Å; H97-W239 HydrophobicContact CB-CH2 4.46Å; H97-W239 HydrophobicContact CB-CZ2 4.26Å; H97-W239 AromaticContact CD2-CD1 3.94Å; H97-W239 AromaticContact CD2-CD2 3.47Å; H97-W239 VanDerWaalsContact CD2-CD2 3.47Å; H97-W239 AromaticContact CD2-CE2 3.71Å; H97-W239 AromaticContact CD2-CE3 3.85Å; H97-W239 AromaticContact CD2-CG 3.66Å; H97-W239 AromaticContact CD2-NE1 3.96Å; H97-W239 AromaticContact NE2-CG 3.9Å; I109-W239 HydrophobicContact CD1-CZ3 4.25Å; I109-W239 HydrophobicContact CG1-CZ3 4.12Å; I109-W239 HydrophobicContact CG2-CE3 4.33Å; I109-W239 HydrophobicContact CG2-CH2 4.39Å; I109-W239 HydrophobicContact CG2-CZ3 3.86Å; L111-W239 HydrophobicContact CB-CH2 4.34Å; L111-W239 HydrophobicContact CD1-CH2 4.09Å; L111-W239 HydrophobicContact CD1-CZ3 4.17Å; L111-W239 HydrophobicContact CG-CH2 3.87Å; L111-W239 HydrophobicContact CG-CZ3 4.03Å; Y236-W239 HydrophobicContact CD1-CE3 4.42Å; Y236-W239 PolarHBondContact O-N 3.49Å; W239-T243 PolarHBondContact NE1-OG1 2.99Å; W239-T243 WeakPolarHBondContact O-CB 3.39Å; W239-T243 PolarHBondContact O-N 3.11Å; W239-T243 PolarHBondContact O-OG1 3.22Å
240	I	98.8	Very high	98.3	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-59.1	-55.3	177.6	-67.9	171	0	0	0	109.8	I54 V60 I109 L111 L129 V233 Y236 K237 S242 T243 M244	I54-I240 HydrophobicContact CD1-CG2 3.69Å; V60-I240 HydrophobicContact CG2-CD1 4.34Å; I109-I240 HydrophobicContact CD1-CD1 4.15Å; L111-I240 HydrophobicContact CD1-CB 4.47Å; L111-I240 HydrophobicContact CD1-CG2 4.29Å; L111-I240 HydrophobicContact CD2-CG2 4.29Å; L129-I240 HydrophobicContact CD1-CB 4.48Å; L129-I240 HydrophobicContact CD1-CG2 3.71Å; L129-I240 HydrophobicContact CD2-CD1 3.91Å; L129-I240 HydrophobicContact CD2-CG2 4.44Å; V233-I240 HydrophobicContact CG1-CD1 4.25Å; Y236-I240 WeakPolarHBondContact O-CG1 3.27Å; Y236-I240 PolarHBondContact O-N 3.24Å; K237-I240 PolarHBondContact O-N 2.94Å; I240-S242 PolarHBondContact O-N 3.3Å; I240-T243 PolarHBondContact O-N 2.93Å; I240-M244 HydrophobicContact CG2-CG 4.39Å; I240-M244 HydrophobicContact CG2-SD 3.56Å; I240-M244 VanDerWaalsContact CG2-SD 3.56Å; I240-M244 WeakPolarHBondContact O-CB 3.46Å; I240-M244 VanDerWaalsContact O-CG 3.26Å; I240-M244 WeakPolarHBondContact O-CG 3.42Å; I240-M244 PolarHBondContact O-N 2.81Å
241	S	98.2	Very high	98.3	Very high	65 Å²	65	47.1 Å²	47.1	46%	0.455	28%	0.28	S	S	.	.	H	α-helix	trans	-60.1	-45.9	-178.8	-60.4	0	0	0	0	112.6	K237 M244 S245	K237-S241 WeakPolarHBondContact O-CB 3.4Å; K237-S241 PolarHBondContact O-N 3.04Å; K237-S241 PolarHBondContact O-OG 3.16Å; K237-S241 VanDerWaalsContact O-OG 3.05Å; S241-M244 PolarHBondContact O-N 3.23Å; S241-S245 PolarHBondContact O-N 2.81Å; S241-S245 PolarHBondContact O-OG 3.33Å
242	S	98.6	Very high	98.2	Very high	68 Å²	68	49.9 Å²	49.9	48%	0.476	30%	0.297	S	S	.	.	H	α-helix	trans	-65.1	-38.6	178.8	-177.8	0	0	0	0	112.4	S238 I240 S245 S246	S238-S242 WeakPolarHBondContact O-CB 3.44Å; S238-S242 PolarHBondContact O-N 3.1Å; I240-S242 PolarHBondContact O-N 3.3Å; S242-S245 PolarHBondContact O-OG 2.95Å; S242-S245 VanDerWaalsContact O-OG 3.05Å; S242-S246 VanDerWaalsContact O-CB 3.26Å; S242-S246 WeakPolarHBondContact O-CB 3.45Å; S242-S246 PolarHBondContact O-N 3.38Å; S242-S246 PolarHBondContact O-OG 3.48Å
243	T	98.8	Very high	98.2	Very high	15 Å²	15	49.5 Å²	49.5	9%	0.092	30%	0.301	C	S	.	.	H	α-helix	trans	-66.8	-44.1	175.5	-58.7	0	0	0	0	110.7	W58 I95 L111 W239 I240 S245 S246 N247	W58-T243 HydrophobicContact CH2-CG2 4.44Å; I95-T243 HydrophobicContact CB-CG2 4.44Å; I95-T243 HydrophobicContact CD1-CG2 3.57Å; I95-T243 HydrophobicContact CG2-CG2 4.09Å; L111-T243 HydrophobicContact CD1-CG2 3.69Å; W239-T243 PolarHBondContact NE1-OG1 2.99Å; W239-T243 WeakPolarHBondContact O-CB 3.39Å; W239-T243 PolarHBondContact O-N 3.11Å; W239-T243 PolarHBondContact O-OG1 3.22Å; I240-T243 PolarHBondContact O-N 2.93Å; T243-S245 PolarHBondContact O-N 3Å; T243-S246 PolarHBondContact O-N 2.84Å; T243-N247 WeakPolarHBondContact O-CB 3.27Å; T243-N247 PolarHBondContact O-N 3.04Å; T243-N247 PolarHBondContact O-ND2 3.22Å
244	M	98.4	Very high	98.1	Very high	45 Å²	45	53 Å²	53	22%	0.222	32%	0.322	C	S	.	.	H	α-helix	trans	-65.3	-35.3	177.9	-71.3	171.9	65.7	0	0	113.3	I54 W58 L111 I240 S241	I54-M244 HydrophobicContact CD1-CE 4.27Å; I54-M244 HydrophobicContact CD1-SD 3.55Å; I54-M244 VanDerWaalsContact CD1-SD 3.55Å; W58-M244 HydrophobicContact CB-CE 4.1Å; W58-M244 HydrophobicContact CB-CG 4.47Å; W58-M244 HydrophobicContact CB-SD 4.45Å; W58-M244 HydrophobicContact CD2-CG 3.79Å; W58-M244 HydrophobicContact CE3-CG 4.34Å; W58-M244 HydrophobicContact CG-CE 4Å; W58-M244 HydrophobicContact CG-CG 3.86Å; W58-M244 HydrophobicContact CG-SD 4.38Å; W58-M244 HydrophobicContact CZ2-CB 4.44Å; W58-M244 HydrophobicContact CZ2-CG 4.38Å; L111-M244 HydrophobicContact CD1-CG 4.25Å; I240-M244 HydrophobicContact CG2-CG 4.39Å; I240-M244 HydrophobicContact CG2-SD 3.56Å; I240-M244 VanDerWaalsContact CG2-SD 3.56Å; I240-M244 WeakPolarHBondContact O-CB 3.46Å; I240-M244 VanDerWaalsContact O-CG 3.26Å; I240-M244 WeakPolarHBondContact O-CG 3.42Å; I240-M244 PolarHBondContact O-N 2.81Å; S241-M244 PolarHBondContact O-N 3.23Å
245	S	97.7	Very high	98.1	Very high	96 Å²	96	56.1 Å²	56.1	67%	0.671	34%	0.34	S	S	*	.	H	α-helix	trans	-76.6	-23.1	178.1	62.9	0	0	0	0	113.6	S241 S242 T243	S241-S245 PolarHBondContact O-N 2.81Å; S241-S245 PolarHBondContact O-OG 3.33Å; S242-S245 PolarHBondContact O-OG 2.95Å; S242-S245 VanDerWaalsContact O-OG 3.05Å; T243-S245 PolarHBondContact O-N 3Å
246	S	97.1	Very high	98	Very high	84 Å²	84	55.2 Å²	55.2	59%	0.587	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.6	7.9	-173.3	-49.7	0	0	0	0	114	S242 T243	S242-S246 VanDerWaalsContact O-CB 3.26Å; S242-S246 WeakPolarHBondContact O-CB 3.45Å; S242-S246 PolarHBondContact O-N 3.38Å; S242-S246 PolarHBondContact O-OG 3.48Å; T243-S246 PolarHBondContact O-N 2.84Å
247	N	95.8	Very high	98	Very high	70 Å²	70	59.6 Å²	59.6	37%	0.374	37%	0.367	S	S	.	.			trans	-143.4	0	-172	-72.2	-88.2	0	0	0	113.7	W58 K93 I95 K113 T243	W58-N247 HydrophobicContact CH2-CB 3.72Å; W58-N247 HydrophobicContact CZ2-CB 3.81Å; K93-N247 WeakPolarHBondContact CE-OD1 3.42Å; K93-N247 PolarHBondContact NZ-OD1 3.31Å; I95-N247 HydrophobicContact CD1-CB 4.47Å; K113-N247 PolarHBondContact NZ-O 3.27Å; K113-N247 PolarHBondContact NZ-OXT 2.88Å; T243-N247 WeakPolarHBondContact O-CB 3.27Å; T243-N247 PolarHBondContact O-N 3.04Å; T243-N247 PolarHBondContact O-ND2 3.22Å

Retrieved 247 of 247 residues in 133 ms (Link to these results)

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