A0AA82N8K8_SCHMA Loading...

Egg protein CP391S-like protein AlphaSync

AlphaFold DB , UniProt , Accession A0AA82N8K8, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 239 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure AlphaSync Parameters PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	36.6	Very low	30.6	Very low	122 Å²	122	145.3 Å²	145.3	60%	0.601	71%	0.712	S	S	*	*				0	109.2	0	-175.9	-175.1	-115.4	0	0	108.1	Y3 I94 F176	M1-Y3 HydrophobicContact CE-CE2 3.66Å; M1-Y3 HydrophobicContact CG-CD2 3.88Å; M1-Y3 HydrophobicContact CG-CE2 3.69Å; M1-Y3 HydrophobicContact SD-CD2 4.26Å; M1-Y3 HydrophobicContact SD-CE2 3.7Å; M1-I94 HydrophobicContact CE-CD1 3.74Å; M1-F176 PolarHBondContact N-O 2.98Å
2	R	29.3	Very low	30.1	Very low	152 Å²	152	144.4 Å²	144.4	57%	0.574	71%	0.711	S	S	*	*			trans	-123.8	129.8	168.6	-78.8	-172.4	176.5	-176.6	1.3	106.6	E175	R2-E175 IonicContact CZ-OE1 3.77Å; R2-E175 IonicContact CZ-OE2 3.73Å; R2-E175 IonicContact NE-OE1 2.72Å; R2-E175 PolarHBondContact NE-OE1 3.35Å; R2-E175 IonicContact NE-OE2 2.97Å; R2-E175 VanDerWaalsContact NH2-CD 3.29Å; R2-E175 IonicContact NH2-OE1 2.72Å; R2-E175 PolarHBondContact NH2-OE1 2.88Å; R2-E175 VanDerWaalsContact NH2-OE1 3.13Å; R2-E175 IonicContact NH2-OE2 3.53Å; R2-E175 PolarHBondContact NH2-OE2 2.8Å
3	Y	29.6	Very low	30.1	Very low	96 Å²	96	141.5 Å²	141.5	38%	0.376	71%	0.706	S	S	.	*			trans	-105.1	127.8	-176.1	-95.8	-88	0	0	0	110.7	M1 F5 L80 F82	M1-Y3 HydrophobicContact CE-CE2 3.66Å; M1-Y3 HydrophobicContact CG-CD2 3.88Å; M1-Y3 HydrophobicContact CG-CE2 3.69Å; M1-Y3 HydrophobicContact SD-CD2 4.26Å; M1-Y3 HydrophobicContact SD-CE2 3.7Å; Y3-F5 HydrophobicContact CD1-CD2 4.3Å; Y3-F5 AromaticContact CD1-CE2 3.63Å; Y3-F5 HydrophobicContact CD1-CE2 3.63Å; Y3-F5 HydrophobicContact CD1-CZ 4.2Å; Y3-F5 AromaticContact CE1-CE2 3.88Å; Y3-F5 HydrophobicContact CE1-CE2 3.88Å; Y3-F5 HydrophobicContact CE1-CZ 4.01Å; Y3-L80 VanDerWaalsContact OH-CD2 3.3Å; Y3-L80 WeakPolarHBondContact OH-CD2 3.36Å; Y3-F82 HydrophobicContact CD1-CE1 4.39Å; Y3-F82 AromaticContact CE1-CE1 3.59Å; Y3-F82 HydrophobicContact CE1-CE1 3.59Å; Y3-F82 AromaticContact CE1-CZ 3.9Å; Y3-F82 HydrophobicContact CE1-CZ 3.9Å; Y3-F82 HydrophobicContact CE2-CZ 4.21Å; Y3-F82 AromaticContact CZ-CE1 3.77Å; Y3-F82 AromaticContact CZ-CZ 3.58Å; Y3-F82 WeakPolarHBondContact OH-CZ 3.45Å
4	N	25.3	Very low	29.6	Very low	172 Å²	172	145.6 Å²	145.6	92%	0.92	71%	0.712	S	S	*	*			trans	-149.3	134.3	156	-86.9	-43.2	0	0	0	108
5	F	27.6	Very low	29.6	Very low	131 Å²	131	143 Å²	143	58%	0.575	71%	0.707	S	S	*	*			trans	-104.2	134.4	179.5	-79.9	-88.9	0	0	0	109.8	Y3	Y3-F5 HydrophobicContact CD1-CD2 4.3Å; Y3-F5 AromaticContact CD1-CE2 3.63Å; Y3-F5 HydrophobicContact CD1-CE2 3.63Å; Y3-F5 HydrophobicContact CD1-CZ 4.2Å; Y3-F5 AromaticContact CE1-CE2 3.88Å; Y3-F5 HydrophobicContact CE1-CE2 3.88Å; Y3-F5 HydrophobicContact CE1-CZ 4.01Å
6	L	33.9	Very low	29.4	Very low	171 Å²	171	143.6 Å²	143.6	90%	0.895	71%	0.712	S	S	*	*				173.1	155.3	124.9	-89.6	160.3	0	0	0	110.5
7	P	39	Very low	29.2	Very low	107 Å²	107	146.2 Å²	146.2	70%	0.695	72%	0.719	S	S	*	*			trans	-103.8	144.7	-154.8	37.9	-30.9	0	0	0	113
8	S	31.1	Very low	29.1	Very low	104 Å²	104	142.7 Å²	142.7	73%	0.727	72%	0.717	S	S	*	*			trans	158.9	94.1	130.4	61	0	0	0	0	110.2
9	L	29.3	Very low	29.1	Very low	158 Å²	158	145.1 Å²	145.1	83%	0.827	72%	0.716	S	S	*	*			trans	-166.9	106.1	149.9	-104.9	138.4	0	0	0	107.3	I11	L9-I11 PolarHBondContact O-N 3.24Å; L9-I11 VanDerWaalsContact O-N 3.09Å
10	W	29.1	Very low	29.2	Very low	251 Å²	251	143.4 Å²	143.4	95%	0.951	72%	0.717	S	S	*	*			trans	-66.8	102.2	173.4	-70.7	74	0	0	0	107.9
11	I	26.2	Very low	29.3	Very low	134 Å²	134	144.7 Å²	144.7	69%	0.687	72%	0.715	S	S	*	*			trans	-107.6	109.5	164.3	-54.4	-179.8	0	0	0	106.7	L9 V13	L9-I11 PolarHBondContact O-N 3.24Å; L9-I11 VanDerWaalsContact O-N 3.09Å; I11-V13 HydrophobicContact CB-CG2 4.26Å; I11-V13 HydrophobicContact CG2-CG2 3.54Å; I11-V13 PolarHBondContact O-N 3.17Å; I11-V13 VanDerWaalsContact O-N 3.1Å
12	L	24.5	Very low	29.3	Very low	135 Å²	135	146.8 Å²	146.8	71%	0.707	72%	0.72	S	S	*	*			trans	-76.9	89.9	172.4	-137.4	145.1	0	0	0	106.8	Y14	L12-Y14 HydrophobicContact CD2-CE2 3.97Å
13	V	29.7	Very low	30	Very low	107 Å²	107	148.4 Å²	148.4	65%	0.648	73%	0.726	S	S	*	*			trans	-89	111	178.4	-176.6	0	0	0	0	108.5	I11 V15	I11-V13 HydrophobicContact CB-CG2 4.26Å; I11-V13 HydrophobicContact CG2-CG2 3.54Å; I11-V13 PolarHBondContact O-N 3.17Å; I11-V13 VanDerWaalsContact O-N 3.1Å; V13-V15 PolarHBondContact O-N 2.99Å
14	Y	23	Very low	30.6	Very low	199 Å²	199	146.3 Å²	146.3	78%	0.78	72%	0.719	S	S	*	*			trans	-70.1	120.3	168.4	-72	-89.8	0	0	0	109.2	L12	L12-Y14 HydrophobicContact CD2-CE2 3.97Å
15	V	29	Very low	31.9	Very low	106 Å²	106	142 Å²	142	64%	0.642	70%	0.696	S	S	*	*			trans	-92.4	109.1	174.1	179.3	0	0	0	0	108	V13 F17	V13-V15 PolarHBondContact O-N 2.99Å; V15-F17 PolarHBondContact O-N 2.88Å
16	I	27.6	Very low	33.3	Very low	153 Å²	153	136.2 Å²	136.2	79%	0.785	67%	0.672	S	S	*	*			trans	-77.6	116.3	170.5	-62	173.8	0	0	0	107.1	A18	I16-A18 VanDerWaalsContact C-N 3.29Å; I16-A18 PolarHBondContact O-N 3.02Å
17	F	25.9	Very low	34.2	Very low	188 Å²	188	132 Å²	132	83%	0.825	65%	0.65	S	S	*	*			trans	-72.9	83.6	172	-68.1	-85.8	0	0	0	109.6	V15 W19	V15-F17 PolarHBondContact O-N 2.88Å; F17-W19 PolarHBondContact O-N 2.8Å
18	A	27.9	Very low	34.9	Very low	83 Å²	83	131.4 Å²	131.4	69%	0.686	64%	0.641	S	S	*	*			trans	-81.1	108.3	159	0	0	0	0	0	106.9	I16 P20	I16-A18 VanDerWaalsContact C-N 3.29Å; I16-A18 PolarHBondContact O-N 3.02Å; A18-P20 WeakPolarHBondContact O-CD 3.49Å
19	W	28.9	Very low	36	Very low	188 Å²	188	127.5 Å²	127.5	71%	0.712	61%	0.612	S	S	*	*			trans	-105.2	80.2	179.2	-152.1	-12.9	0	0	0	110.3	F17 Y21	F17-W19 PolarHBondContact O-N 2.8Å; W19-Y21 VanDerWaalsContact C-N 3.35Å; W19-Y21 AromaticContact CD1-CD2 3.42Å; W19-Y21 VanDerWaalsContact CD1-CD2 3.42Å; W19-Y21 AromaticContact CD1-CE2 3.81Å; W19-Y21 AromaticContact CD2-CD2 3.95Å; W19-Y21 HydrophobicContact CD2-CD2 3.95Å; W19-Y21 AromaticContact CD2-CE2 3.72Å; W19-Y21 HydrophobicContact CD2-CE2 3.72Å; W19-Y21 AromaticContact CE2-CD2 3.58Å; W19-Y21 AromaticContact CE2-CE2 3.06Å; W19-Y21 AromaticContact CE2-CZ 3.75Å; W19-Y21 HydrophobicContact CE3-CE2 4.43Å; W19-Y21 AromaticContact CG-CD2 3.91Å; W19-Y21 HydrophobicContact CG-CD2 3.91Å; W19-Y21 HydrophobicContact CG-CE2 4.19Å; W19-Y21 HydrophobicContact CH2-CE2 4.08Å; W19-Y21 HydrophobicContact CZ2-CD2 4.26Å; W19-Y21 AromaticContact CZ2-CE2 3.29Å; W19-Y21 HydrophobicContact CZ2-CE2 3.29Å; W19-Y21 AromaticContact CZ2-CZ 3.61Å; W19-Y21 WeakPolarHBondContact CZ2-OH 3.27Å; W19-Y21 AromaticContact NE1-CD2 3.2Å; W19-Y21 AromaticContact NE1-CE2 3.11Å; W19-Y21 AromaticContact NE1-CG 3.9Å; W19-Y21 AromaticContact NE1-CZ 3.72Å; W19-Y21 PolarHBondContact O-N 2.84Å
20	P	31.3	Very low	37	Very low	111 Å²	111	125.5 Å²	125.5	72%	0.721	61%	0.61	S	S	*	*			trans	-78.1	94.7	156.4	30.8	-25.8	0	0	0	107.3	A18	A18-P20 WeakPolarHBondContact O-CD 3.49Å
21	Y	31.1	Very low	38.3	Very low	171 Å²	171	121.5 Å²	121.5	67%	0.671	60%	0.599	S	S	*	*			trans	-58.9	134.4	162.5	-105.9	-84.4	0	0	0	109.3	W19	W19-Y21 VanDerWaalsContact C-N 3.35Å; W19-Y21 AromaticContact CD1-CD2 3.42Å; W19-Y21 VanDerWaalsContact CD1-CD2 3.42Å; W19-Y21 AromaticContact CD1-CE2 3.81Å; W19-Y21 AromaticContact CD2-CD2 3.95Å; W19-Y21 HydrophobicContact CD2-CD2 3.95Å; W19-Y21 AromaticContact CD2-CE2 3.72Å; W19-Y21 HydrophobicContact CD2-CE2 3.72Å; W19-Y21 AromaticContact CE2-CD2 3.58Å; W19-Y21 AromaticContact CE2-CE2 3.06Å; W19-Y21 AromaticContact CE2-CZ 3.75Å; W19-Y21 HydrophobicContact CE3-CE2 4.43Å; W19-Y21 AromaticContact CG-CD2 3.91Å; W19-Y21 HydrophobicContact CG-CD2 3.91Å; W19-Y21 HydrophobicContact CG-CE2 4.19Å; W19-Y21 HydrophobicContact CH2-CE2 4.08Å; W19-Y21 HydrophobicContact CZ2-CD2 4.26Å; W19-Y21 AromaticContact CZ2-CE2 3.29Å; W19-Y21 HydrophobicContact CZ2-CE2 3.29Å; W19-Y21 AromaticContact CZ2-CZ 3.61Å; W19-Y21 WeakPolarHBondContact CZ2-OH 3.27Å; W19-Y21 AromaticContact NE1-CD2 3.2Å; W19-Y21 AromaticContact NE1-CE2 3.11Å; W19-Y21 AromaticContact NE1-CG 3.9Å; W19-Y21 AromaticContact NE1-CZ 3.72Å; W19-Y21 PolarHBondContact O-N 2.84Å
22	K	36	Very low	39.9	Very low	166 Å²	166	120.3 Å²	120.3	72%	0.722	60%	0.595	S	S	*	*			trans	84.9	148.9	172.5	-65.9	176.3	168.8	166.4	0	114.9
23	R	43.4	Very low	42.2	Very low	185 Å²	185	117.6 Å²	117.6	70%	0.698	59%	0.585	S	S	*	*			cis	-162.7	116.1	3.5	-128.3	173.1	179	173.1	-2.8	104.6
24	F	43.6	Very low	44.9	Very low	52 Å²	52	115 Å²	115	23%	0.228	57%	0.565	C	S	.	*			trans	-66.1	140.8	146.2	-88.6	-84.3	0	0	0	107.9	C26 Y49 E181 S184	F24-C26 VanDerWaalsContact C-N 3.34Å; F24-C26 PolarHBondContact O-N 2.85Å; F24-Y49 HydrophobicContact CB-CE2 3.58Å; F24-Y49 WeakPolarHBondContact CB-OH 3.42Å; F24-Y49 HydrophobicContact CD1-CD2 4.24Å; F24-Y49 AromaticContact CD1-CE2 3.58Å; F24-Y49 HydrophobicContact CD1-CE2 3.58Å; F24-Y49 HydrophobicContact CD2-CE2 4.38Å; F24-Y49 HydrophobicContact CE1-CE2 4.28Å; F24-Y49 AromaticContact CG-CE2 3.62Å; F24-Y49 HydrophobicContact CG-CE2 3.62Å; F24-Y49 AromaticContact CG-CZ 3.71Å; F24-E181 HydrophobicContact CE2-CB 3.89Å; F24-E181 HydrophobicContact CE2-CG 3.91Å; F24-S184 VanDerWaalsContact CE1-CB 3.46Å; F24-S184 WeakPolarHBondContact CE1-OG 3.47Å; F24-S184 WeakPolarHBondContact CE2-OG 3.4Å; F24-S184 WeakPolarHBondContact CZ-OG 2.78Å
25	N	52.1	Low	48	Very low	81 Å²	81	108.1 Å²	108.1	43%	0.433	54%	0.542	S	S	.	.			trans	-75.5	94.9	172.2	-165.7	4.5	0	0	0	108.2	N27 D28	N25-N27 PolarHBondContact O-N 3.33Å; N25-N27 PolarHBondContact OD1-N 2.75Å; N25-D28 PolarHBondContact O-N 3.25Å
26	C	56.4	Low	50.9	Low	11 Å²	11	105 Å²	105	7%	0.074	52%	0.523	C	S	.	.	H	α-helix	trans	-36.7	-27.9	168.4	-87.4	0	0	0	0	116.3	F24 D28 I29 C152 K153	F24-C26 VanDerWaalsContact C-N 3.34Å; F24-C26 PolarHBondContact O-N 2.85Å; C26-D28 PolarHBondContact O-N 3.27Å; C26-I29 WeakPolarHBondContact O-CB 3.28Å; C26-I29 WeakPolarHBondContact O-CG1 3.32Å; C26-I29 PolarHBondContact O-N 3.34Å; C26-C152 HydrophobicContact CB-CB 4.36Å; C26-C152 WeakPolarHBondContact CB-SG 3.43Å; C26-C152 WeakPolarHBondContact SG-CA 3.33Å; C26-C152 WeakPolarHBondContact SG-CB 3.31Å; C26-C152 CovalentContact SG-SG 2.01Å; C26-C152 PolarHBondContact SG-SG 2.85Å; C26-K153 HydrophobicContact CB-CD 4.27Å; C26-K153 HydrophobicContact CB-CG 4.29Å
27	N	52.6	Low	53.8	Low	82 Å²	82	98 Å²	98	44%	0.439	49%	0.487	S	S	.	.	H	α-helix	trans	-64.9	-24.1	178.3	-72	7.3	0	0	0	113.5	N25 K153	N25-N27 PolarHBondContact O-N 3.33Å; N25-N27 PolarHBondContact OD1-N 2.75Å; N27-K153 PolarHBondContact OD1-NZ 3.09Å
28	D	55.3	Low	56.8	Low	94 Å²	94	90.3 Å²	90.3	50%	0.503	45%	0.454	S	S	.	.	H	α-helix	trans	-76.8	-30.5	-179.9	-61.6	-31	0	0	0	111.4	N25 C26 C30 K31 N32	N25-D28 PolarHBondContact O-N 3.25Å; C26-D28 PolarHBondContact O-N 3.27Å; D28-C30 VanDerWaalsContact C-N 3.34Å; D28-C30 PolarHBondContact O-N 3.37Å; D28-K31 PolarHBondContact O-N 2.93Å; D28-K31 VanDerWaalsContact O-N 3.08Å; D28-N32 PolarHBondContact O-N 3.18Å
29	I	52.5	Low	59.9	Low	22 Å²	22	89.8 Å²	89.8	11%	0.113	44%	0.437	C	S	.	.	H	α-helix	trans	-56.7	-47.6	178.4	-50.9	-179	0	0	0	111	C26 K31 Y49 F150	C26-I29 WeakPolarHBondContact O-CB 3.28Å; C26-I29 WeakPolarHBondContact O-CG1 3.32Å; C26-I29 PolarHBondContact O-N 3.34Å; I29-K31 PolarHBondContact O-N 3.18Å; I29-Y49 HydrophobicContact CD1-CD1 4.14Å; I29-Y49 HydrophobicContact CD1-CD2 3.97Å; I29-Y49 HydrophobicContact CD1-CE1 3.72Å; I29-Y49 HydrophobicContact CD1-CE2 3.5Å; I29-Y49 HydrophobicContact CD1-CG 4.24Å; I29-Y49 HydrophobicContact CG1-CD2 3.61Å; I29-Y49 HydrophobicContact CG1-CE1 4.44Å; I29-Y49 HydrophobicContact CG1-CE2 3.47Å; I29-Y49 VanDerWaalsContact CG1-CE2 3.47Å; I29-Y49 HydrophobicContact CG1-CG 4.13Å; I29-F150 HydrophobicContact CD1-CE2 3.4Å; I29-F150 HydrophobicContact CD1-CZ 3.49Å; I29-F150 VanDerWaalsContact CD1-CZ 3.49Å; I29-F150 HydrophobicContact CG2-CZ 4.15Å
30	C	52	Low	62.9	Low	117 Å²	117	84.7 Å²	84.7	79%	0.791	42%	0.424	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.4	-11.8	-176.8	-62.2	0	0	0	0	113.4	D28	D28-C30 VanDerWaalsContact C-N 3.34Å; D28-C30 PolarHBondContact O-N 3.37Å
31	K	55.4	Low	65.7	Low	166 Å²	166	86.6 Å²	86.6	72%	0.722	43%	0.429	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.2	-39.6	-174.8	-73.1	-175.7	179.2	-177.8	0	113.1	D28 I29	D28-K31 PolarHBondContact O-N 2.93Å; D28-K31 VanDerWaalsContact O-N 3.08Å; I29-K31 PolarHBondContact O-N 3.18Å
32	N	59.5	Low	68.5	Low	110 Å²	110	81.3 Å²	81.3	59%	0.588	41%	0.414	S	S	*	.			trans	-152.7	96.6	-180	-127.6	6.6	0	0	0	110.6	D28 E34	D28-N32 PolarHBondContact O-N 3.18Å; N32-E34 PolarHBondContact O-N 2.99Å
33	P	73.2	Confident	71.1	Confident	77 Å²	77	75 Å²	75	50%	0.5	39%	0.386	S	S	.	.	S	Bend	trans	-72.2	-18.4	-175.3	29	-35.1	0	0	0	113.3	H48	P33-H48 PolarHBondContact O-ND1 2.92Å
34	E	85.9	Confident	73.4	Confident	52 Å²	52	67.1 Å²	67.1	24%	0.243	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	135.2	177.8	-178.9	178.1	-159.2	0	0	110.1	N32 V36 R44 S46 L47 H48	N32-E34 PolarHBondContact O-N 2.99Å; E34-V36 HydrophobicContact CG-CG2 4.17Å; E34-R44 IonicContact OE1-CZ 3.49Å; E34-R44 IonicContact OE1-NE 2.66Å; E34-R44 PolarHBondContact OE1-NE 3.36Å; E34-R44 IonicContact OE1-NH2 2.7Å; E34-R44 PolarHBondContact OE1-NH2 3.01Å; E34-R44 IonicContact OE2-NH2 3.78Å; E34-R44 PolarHBondContact OE2-NH2 3.36Å; E34-S46 WeakPolarHBondContact OE1-CB 3.39Å; E34-S46 PolarHBondContact OE1-OG 3.19Å; E34-L47 WeakPolarHBondContact CA-O 2.98Å; E34-H48 WeakPolarHBondContact CG-CE1 3.07Å; E34-H48 IonicContact OE1-CE1 3.92Å; E34-H48 IonicContact OE1-NE2 2.72Å
35	I	87.6	Confident	75.6	Confident	56 Å²	56	64.7 Å²	64.7	29%	0.287	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	109.2	170	-53.2	168.3	0	0	0	108.6	I37 S46 L47	I35-I37 HydrophobicContact CG2-CD1 4.1Å; I35-I37 PolarHBondContact O-N 3.04Å; I35-S46 CarbonylContact O-C 3.49Å; I35-S46 VanDerWaalsContact O-CA 3.26Å; I35-S46 WeakPolarHBondContact O-CA 3.38Å; I35-S46 WeakPolarHBondContact O-CB 3.48Å; I35-L47 PolarHBondContact N-O 2.75Å; I35-L47 PolarHBondContact O-N 2.88Å
36	V	90.3	Very high	77.5	Confident	40 Å²	40	60.8 Å²	60.8	24%	0.242	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	111.7	178.9	-177.3	0	0	0	0	109.9	E34 E39 R44 K207	E34-V36 HydrophobicContact CG-CG2 4.17Å; V36-E39 HydrophobicContact CG1-CB 3.86Å; V36-R44 HydrophobicContact CG1-CG 4.49Å; V36-K207 VanDerWaalsContact O-CE 3.28Å; V36-K207 WeakPolarHBondContact O-CE 3.49Å; V36-K207 PolarHBondContact O-NZ 2.76Å
37	I	88.6	Confident	79	Confident	7 Å²	7	60.7 Å²	60.7	4%	0.036	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	-52.2	-179.8	-50.3	-60.7	0	0	0	109.5	I35 Y45 L47 C205 K207 G208 D226	I35-I37 HydrophobicContact CG2-CD1 4.1Å; I35-I37 PolarHBondContact O-N 3.04Å; I37-Y45 HydrophobicContact CB-CD1 3.86Å; I37-Y45 HydrophobicContact CG1-CD1 3.93Å; I37-Y45 HydrophobicContact CG1-CE1 4.23Å; I37-Y45 HydrophobicContact CG2-CD1 4.36Å; I37-Y45 PolarHBondContact N-O 3.44Å; I37-L47 HydrophobicContact CD1-CD1 3.78Å; I37-L47 HydrophobicContact CD1-CG 3.95Å; I37-L47 HydrophobicContact CG1-CD1 4.11Å; I37-L47 HydrophobicContact CG1-CG 3.79Å; I37-C205 HydrophobicContact CD1-CB 4.45Å; I37-K207 WeakPolarHBondContact O-CD 3.47Å; I37-K207 WeakPolarHBondContact O-CE 3.43Å; I37-K207 PolarHBondContact O-NZ 3Å; I37-G208 VanDerWaalsContact CD1-CA 3.47Å; I37-D226 WeakPolarHBondContact CG2-O 3.42Å
38	I	89.8	Confident	80.5	Confident	25 Å²	25	57.4 Å²	57.4	13%	0.128	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	141.6	177.8	-62.1	151.6	0	0	0	108.8	Y43 R44 Y45 D226 V229	I38-Y43 HydrophobicContact CG2-CD1 4.35Å; I38-R44 CarbonylContact O-C 3.59Å; I38-R44 VanDerWaalsContact O-CA 3.31Å; I38-R44 WeakPolarHBondContact O-CA 3.28Å; I38-Y45 PolarHBondContact N-O 3.49Å; I38-Y45 VanDerWaalsContact N-O 3.12Å; I38-Y45 PolarHBondContact O-N 3.16Å; I38-D226 HydrophobicContact CD1-CB 4.44Å; I38-D226 WeakPolarHBondContact CD1-O 3.2Å; I38-V229 HydrophobicContact CD1-CB 3.64Å; I38-V229 HydrophobicContact CD1-CG1 4.41Å; I38-V229 HydrophobicContact CD1-CG2 3.23Å; I38-V229 HydrophobicContact CG1-CB 3.89Å; I38-V229 HydrophobicContact CG1-CG1 4.29Å; I38-V229 HydrophobicContact CG1-CG2 3.98Å
39	E	92.4	Very high	81.5	Confident	72 Å²	72	54.8 Å²	54.8	34%	0.336	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.8	130.2	169.9	-175.1	162.8	-151.1	0	0	109.6	V36 Y43 R44 K166 W167	V36-E39 HydrophobicContact CG1-CB 3.86Å; E39-Y43 CarbonylContact C-O 3.42Å; E39-Y43 WeakPolarHBondContact CA-O 3.41Å; E39-R44 HydrophobicContact CB-CG 4.38Å; E39-R44 VanDerWaalsContact CD-NH1 3.3Å; E39-R44 HydrophobicContact CG-CB 4.33Å; E39-R44 HydrophobicContact CG-CG 4.31Å; E39-R44 IonicContact OE1-CZ 2.62Å; E39-R44 IonicContact OE1-NH1 3.89Å; E39-R44 PolarHBondContact OE1-NH1 2.84Å; E39-R44 IonicContact OE2-CZ 3.21Å; E39-R44 IonicContact OE2-NH1 3.16Å; E39-R44 PolarHBondContact OE2-NH1 3.12Å; E39-R44 VanDerWaalsContact OE2-NH1 3.15Å; E39-K166 WeakPolarHBondContact OE1-CE 3.28Å; E39-K166 IonicContact OE1-NZ 2.74Å; E39-K166 PolarHBondContact OE1-NZ 2.98Å; E39-K166 IonicContact OE2-NZ 3.38Å; E39-W167 HydrophobicContact CG-CZ2 4.11Å; E39-W167 PolarHBondContact OE1-NE1 2.79Å
40	N	91.4	Very high	82.7	Confident	81 Å²	81	55 Å²	55	43%	0.433	29%	0.288	S	S	.	.			trans	-138.3	-167.6	167.3	66.1	36.1	0	0	0	108.7	T42 Y43 W167	N40-T42 PolarHBondContact O-N 3.26Å; N40-T42 PolarHBondContact OD1-N 3.07Å; N40-T42 PolarHBondContact OD1-OG1 3.47Å; N40-Y43 PolarHBondContact N-O 3.38Å; N40-Y43 WeakPolarHBondContact OD1-CA 3.43Å; N40-Y43 WeakPolarHBondContact OD1-CB 3.45Å; N40-Y43 PolarHBondContact OD1-N 3.24Å; N40-Y43 PolarHBondContact OD1-O 3.04Å; N40-W167 WeakPolarHBondContact O-CH2 3.4Å; N40-W167 WeakPolarHBondContact O-CZ2 3.31Å
41	D	89.7	Confident	84.3	Confident	152 Å²	152	49.8 Å²	49.8	81%	0.813	25%	0.252	S	S	*	.	S	Bend	trans	-69.1	-20.6	-176.1	-64.5	-32.5	0	0	0	114.3
42	T	91	Very high	85.7	Confident	60 Å²	60	42 Å²	42	37%	0.368	22%	0.218	S	C	.	.	S	Bend	trans	-121.4	-13.7	-171.2	69	0	0	0	0	113.8	N40 Q56 R57 Y58	N40-T42 PolarHBondContact O-N 3.26Å; N40-T42 PolarHBondContact OD1-N 3.07Å; N40-T42 PolarHBondContact OD1-OG1 3.47Å; T42-Q56 CarbonylContact O-C 3.55Å; T42-Q56 WeakPolarHBondContact O-CA 2.99Å; T42-R57 WeakPolarHBondContact O-CB 3.09Å; T42-R57 PolarHBondContact O-N 3.38Å; T42-Y58 HydrophobicContact CG2-CD2 4.05Å; T42-Y58 HydrophobicContact CG2-CE2 3.59Å
43	Y	91	Very high	87	Confident	34 Å²	34	36.7 Å²	36.7	13%	0.133	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	137.8	-172.3	-167.3	-97	0	0	0	111.7	I38 E39 N40 R54 I55 Q56 D226	I38-Y43 HydrophobicContact CG2-CD1 4.35Å; E39-Y43 CarbonylContact C-O 3.42Å; E39-Y43 WeakPolarHBondContact CA-O 3.41Å; N40-Y43 PolarHBondContact N-O 3.38Å; N40-Y43 WeakPolarHBondContact OD1-CA 3.43Å; N40-Y43 WeakPolarHBondContact OD1-CB 3.45Å; N40-Y43 PolarHBondContact OD1-N 3.24Å; N40-Y43 PolarHBondContact OD1-O 3.04Å; Y43-R54 HydrophobicContact CE2-CG 3.78Å; Y43-R54 WeakPolarHBondContact OH-CD 3.15Å; Y43-R54 WeakPolarHBondContact OH-CG 3.27Å; Y43-R54 PolarHBondContact OH-NE 2.91Å; Y43-I55 CarbonylContact C-O 3.42Å; Y43-I55 WeakPolarHBondContact CA-O 3.33Å; Y43-Q56 HydrophobicContact CD2-CG 3.75Å; Y43-Q56 HydrophobicContact CE2-CG 3.66Å; Y43-D226 VanDerWaalsContact CE1-OD1 3.27Å; Y43-D226 WeakPolarHBondContact CE1-OD1 3.01Å; Y43-D226 VanDerWaalsContact CZ-OD1 3.26Å; Y43-D226 PolarHBondContact OH-OD1 3.15Å; Y43-D226 PolarHBondContact OH-OD2 3.28Å
44	R	91	Very high	87.7	Confident	19 Å²	19	33.3 Å²	33.3	7%	0.072	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139	135.1	169.3	178.3	179.1	176.1	137.2	-10.3	109.8	E34 V36 I38 E39 R54 I55 W167	E34-R44 IonicContact OE1-CZ 3.49Å; E34-R44 IonicContact OE1-NE 2.66Å; E34-R44 PolarHBondContact OE1-NE 3.36Å; E34-R44 IonicContact OE1-NH2 2.7Å; E34-R44 PolarHBondContact OE1-NH2 3.01Å; E34-R44 IonicContact OE2-NH2 3.78Å; E34-R44 PolarHBondContact OE2-NH2 3.36Å; V36-R44 HydrophobicContact CG1-CG 4.49Å; I38-R44 CarbonylContact O-C 3.59Å; I38-R44 VanDerWaalsContact O-CA 3.31Å; I38-R44 WeakPolarHBondContact O-CA 3.28Å; E39-R44 HydrophobicContact CB-CG 4.38Å; E39-R44 VanDerWaalsContact CD-NH1 3.3Å; E39-R44 HydrophobicContact CG-CB 4.33Å; E39-R44 HydrophobicContact CG-CG 4.31Å; E39-R44 IonicContact OE1-CZ 2.62Å; E39-R44 IonicContact OE1-NH1 3.89Å; E39-R44 PolarHBondContact OE1-NH1 2.84Å; E39-R44 IonicContact OE2-CZ 3.21Å; E39-R44 IonicContact OE2-NH1 3.16Å; E39-R44 PolarHBondContact OE2-NH1 3.12Å; E39-R44 VanDerWaalsContact OE2-NH1 3.15Å; R44-R54 CarbonylContact O-C 3.57Å; R44-R54 WeakPolarHBondContact O-CA 3.39Å; R44-I55 HydrophobicContact CB-CB 4.17Å; R44-I55 PolarHBondContact N-O 2.86Å; R44-I55 PolarHBondContact O-N 2.79Å; R44-W167 HydrophobicContact CB-CH2 4.15Å; R44-W167 HydrophobicContact CB-CZ2 3.67Å
45	Y	90.5	Very high	87.7	Confident	0 Å²	0	30.9 Å²	30.9	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	124.4	169.2	-174.4	-113.2	0	0	0	109.5	I37 I38 L47 S52 M53 R54 D226	I37-Y45 HydrophobicContact CB-CD1 3.86Å; I37-Y45 HydrophobicContact CG1-CD1 3.93Å; I37-Y45 HydrophobicContact CG1-CE1 4.23Å; I37-Y45 HydrophobicContact CG2-CD1 4.36Å; I37-Y45 PolarHBondContact N-O 3.44Å; I38-Y45 PolarHBondContact N-O 3.49Å; I38-Y45 VanDerWaalsContact N-O 3.12Å; I38-Y45 PolarHBondContact O-N 3.16Å; Y45-L47 HydrophobicContact CE1-CD2 3.82Å; Y45-S52 WeakPolarHBondContact OH-CB 2.97Å; Y45-S52 PolarHBondContact OH-OG 2.73Å; Y45-M53 WeakPolarHBondContact CA-O 3.4Å; Y45-R54 HydrophobicContact CD2-CB 4.06Å; Y45-R54 HydrophobicContact CD2-CG 4.49Å; Y45-D226 HydrophobicContact CD1-CB 3.53Å; Y45-D226 HydrophobicContact CD2-CB 4.47Å; Y45-D226 HydrophobicContact CE1-CB 3.78Å; Y45-D226 HydrophobicContact CG-CB 3.9Å
46	S	90.7	Very high	87.7	Confident	0 Å²	0	29.7 Å²	29.7	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	150.4	177	53.1	0	0	0	0	112.1	E34 I35 H48 S52 M53	E34-S46 WeakPolarHBondContact OE1-CB 3.39Å; E34-S46 PolarHBondContact OE1-OG 3.19Å; I35-S46 CarbonylContact O-C 3.49Å; I35-S46 VanDerWaalsContact O-CA 3.26Å; I35-S46 WeakPolarHBondContact O-CA 3.38Å; I35-S46 WeakPolarHBondContact O-CB 3.48Å; S46-H48 PolarHBondContact OG-NE2 3.3Å; S46-S52 CarbonylContact O-C 3.54Å; S46-S52 WeakPolarHBondContact O-CA 3.33Å; S46-M53 PolarHBondContact N-O 2.99Å; S46-M53 PolarHBondContact O-N 3.42Å; S46-M53 VanDerWaalsContact OG-CE 3.28Å; S46-M53 WeakPolarHBondContact OG-CE 3.49Å
47	L	88	Confident	87.4	Confident	8 Å²	8	29.9 Å²	29.9	4%	0.042	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	131.3	174	-58	-179.2	0	0	0	108.9	E34 I35 I37 Y45 I179 C205 A210 I212	E34-L47 WeakPolarHBondContact CA-O 2.98Å; I35-L47 PolarHBondContact N-O 2.75Å; I35-L47 PolarHBondContact O-N 2.88Å; I37-L47 HydrophobicContact CD1-CD1 3.78Å; I37-L47 HydrophobicContact CD1-CG 3.95Å; I37-L47 HydrophobicContact CG1-CD1 4.11Å; I37-L47 HydrophobicContact CG1-CG 3.79Å; Y45-L47 HydrophobicContact CE1-CD2 3.82Å; L47-I179 HydrophobicContact CD2-CD1 3.97Å; L47-C205 HydrophobicContact CD1-CB 4.31Å; L47-A210 HydrophobicContact CD1-CB 4.14Å; L47-I212 HydrophobicContact CD1-CG2 4.03Å; L47-I212 HydrophobicContact CD2-CD1 4.47Å; L47-I212 HydrophobicContact CD2-CG2 4.19Å
48	H	85	Confident	87.2	Confident	13 Å²	13	38 Å²	38	6%	0.06	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	171.8	167.8	-55.4	-89.5	0	0	0	108	P33 E34 S46 Y50 Y51 I161 I179	P33-H48 PolarHBondContact O-ND1 2.92Å; E34-H48 WeakPolarHBondContact CG-CE1 3.07Å; E34-H48 IonicContact OE1-CE1 3.92Å; E34-H48 IonicContact OE1-NE2 2.72Å; S46-H48 PolarHBondContact OG-NE2 3.3Å; H48-Y50 PolarHBondContact O-N 3.08Å; H48-Y51 CarbonylContact C-O 3.47Å; H48-Y51 VanDerWaalsContact CA-O 3.27Å; H48-Y51 WeakPolarHBondContact CA-O 3.12Å; H48-Y51 VanDerWaalsContact CB-O 3.23Å; H48-Y51 WeakPolarHBondContact CB-O 3.01Å; H48-Y51 PolarHBondContact N-O 2.88Å; H48-Y51 PolarHBondContact O-N 3.41Å; H48-Y51 VanDerWaalsContact O-O 3.07Å; H48-I161 HydrophobicContact CB-CD1 3.75Å; H48-I161 HydrophobicContact CB-CG1 4.19Å; H48-I179 WeakPolarHBondContact O-CD1 3.49Å
49	Y	75.8	Confident	86.6	Confident	40 Å²	40	40.1 Å²	40.1	16%	0.157	19%	0.187	C	C	.	.	S	Bend	trans	-56.6	-49.7	-171.3	-177.5	-110.8	0	0	0	114.1	F24 I29 F150	F24-Y49 HydrophobicContact CB-CE2 3.58Å; F24-Y49 WeakPolarHBondContact CB-OH 3.42Å; F24-Y49 HydrophobicContact CD1-CD2 4.24Å; F24-Y49 AromaticContact CD1-CE2 3.58Å; F24-Y49 HydrophobicContact CD1-CE2 3.58Å; F24-Y49 HydrophobicContact CD2-CE2 4.38Å; F24-Y49 HydrophobicContact CE1-CE2 4.28Å; F24-Y49 AromaticContact CG-CE2 3.62Å; F24-Y49 HydrophobicContact CG-CE2 3.62Å; F24-Y49 AromaticContact CG-CZ 3.71Å; I29-Y49 HydrophobicContact CD1-CD1 4.14Å; I29-Y49 HydrophobicContact CD1-CD2 3.97Å; I29-Y49 HydrophobicContact CD1-CE1 3.72Å; I29-Y49 HydrophobicContact CD1-CE2 3.5Å; I29-Y49 HydrophobicContact CD1-CG 4.24Å; I29-Y49 HydrophobicContact CG1-CD2 3.61Å; I29-Y49 HydrophobicContact CG1-CE1 4.44Å; I29-Y49 HydrophobicContact CG1-CE2 3.47Å; I29-Y49 VanDerWaalsContact CG1-CE2 3.47Å; I29-Y49 HydrophobicContact CG1-CG 4.13Å; Y49-F150 HydrophobicContact CD1-CE1 4.33Å; Y49-F150 HydrophobicContact CD1-CE2 4.34Å; Y49-F150 HydrophobicContact CD1-CZ 4.05Å; Y49-F150 HydrophobicContact CE1-CD2 4.18Å; Y49-F150 HydrophobicContact CE1-CE1 4.48Å; Y49-F150 AromaticContact CE1-CE2 3.77Å; Y49-F150 HydrophobicContact CE1-CE2 3.77Å; Y49-F150 AromaticContact CE1-CZ 3.96Å; Y49-F150 HydrophobicContact CE1-CZ 3.96Å
50	Y	78.6	Confident	85.7	Confident	25 Å²	25	41.8 Å²	41.8	10%	0.098	21%	0.206	C	C	.	.	S	Bend	trans	-102	-10.7	177.2	-80.6	-67.3	0	0	0	114.5	H48 Y87 F150 A178 I179 E181	H48-Y50 PolarHBondContact O-N 3.08Å; Y50-Y87 AromaticContact CD2-CD1 3.31Å; Y50-Y87 HydrophobicContact CD2-CD1 3.31Å; Y50-Y87 AromaticContact CD2-CE1 3.66Å; Y50-Y87 HydrophobicContact CD2-CE1 3.66Å; Y50-Y87 HydrophobicContact CD2-CG 4.21Å; Y50-Y87 AromaticContact CE2-CD1 3.73Å; Y50-Y87 HydrophobicContact CE2-CD1 3.73Å; Y50-Y87 HydrophobicContact CE2-CE1 4.35Å; Y50-Y87 HydrophobicContact CG-CD1 4.16Å; Y50-F150 HydrophobicContact CD2-CD1 4.28Å; Y50-F150 HydrophobicContact CE2-CB 3.91Å; Y50-F150 AromaticContact CE2-CD1 3.68Å; Y50-F150 HydrophobicContact CE2-CD1 3.68Å; Y50-F150 HydrophobicContact CE2-CD2 4.03Å; Y50-F150 HydrophobicContact CE2-CE1 4.15Å; Y50-F150 AromaticContact CE2-CG 3.6Å; Y50-F150 HydrophobicContact CE2-CG 3.6Å; Y50-A178 CarbonylContact O-C 3.44Å; Y50-A178 VanDerWaalsContact O-CA 3.3Å; Y50-A178 WeakPolarHBondContact O-CA 3.37Å; Y50-I179 PolarHBondContact O-N 2.97Å; Y50-E181 WeakPolarHBondContact CE1-OE1 3.39Å
51	Y	84.1	Confident	84.3	Confident	8 Å²	8	43.3 Å²	43.3	3%	0.031	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	145	-167.4	-59.6	-86.2	0	0	0	111.3	H48 F86 Y87 I146 I161 F176 E177 A178	H48-Y51 CarbonylContact C-O 3.47Å; H48-Y51 VanDerWaalsContact CA-O 3.27Å; H48-Y51 WeakPolarHBondContact CA-O 3.12Å; H48-Y51 VanDerWaalsContact CB-O 3.23Å; H48-Y51 WeakPolarHBondContact CB-O 3.01Å; H48-Y51 PolarHBondContact N-O 2.88Å; H48-Y51 PolarHBondContact O-N 3.41Å; H48-Y51 VanDerWaalsContact O-O 3.07Å; Y51-F86 WeakPolarHBondContact OH-CA 3.13Å; Y51-F86 WeakPolarHBondContact OH-CD2 2.96Å; Y51-F86 WeakPolarHBondContact OH-CG 3.43Å; Y51-Y87 HydrophobicContact CD2-CE2 4.5Å; Y51-Y87 AromaticContact CE2-CD2 3.78Å; Y51-Y87 HydrophobicContact CE2-CD2 3.78Å; Y51-Y87 HydrophobicContact CE2-CE1 4.3Å; Y51-Y87 AromaticContact CE2-CE2 3.49Å; Y51-Y87 HydrophobicContact CE2-CE2 3.49Å; Y51-Y87 VanDerWaalsContact CE2-CE2 3.49Å; Y51-Y87 HydrophobicContact CE2-CG 4.33Å; Y51-Y87 AromaticContact CE2-CZ 3.79Å; Y51-Y87 WeakPolarHBondContact OH-CD2 3.14Å; Y51-Y87 PolarHBondContact OH-N 3.47Å; Y51-I146 HydrophobicContact CE2-CG2 4.41Å; Y51-I161 HydrophobicContact CD2-CD1 3.55Å; Y51-I161 HydrophobicContact CE2-CD1 4.39Å; Y51-I161 HydrophobicContact CG-CD1 4.22Å; Y51-F176 HydrophobicContact CD1-CB 4.39Å; Y51-E177 CarbonylContact C-O 3.59Å; Y51-E177 VanDerWaalsContact CA-O 3.32Å; Y51-E177 WeakPolarHBondContact CA-O 3.45Å; Y51-A178 HydrophobicContact CD1-CB 4.3Å; Y51-A178 HydrophobicContact CE1-CB 4.23Å
52	S	86.1	Confident	82.7	Confident	2 Å²	2	40.7 Å²	40.7	1%	0.014	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	140.7	157.1	60.8	0	0	0	0	109.1	Y45 S46 F176 E177	Y45-S52 WeakPolarHBondContact OH-CB 2.97Å; Y45-S52 PolarHBondContact OH-OG 2.73Å; S46-S52 CarbonylContact O-C 3.54Å; S46-S52 WeakPolarHBondContact O-CA 3.33Å; S52-F176 WeakPolarHBondContact O-CA 2.91Å; S52-E177 PolarHBondContact N-O 3.41Å; S52-E177 PolarHBondContact O-N 3.49Å; S52-E177 PolarHBondContact OG-O 3.26Å
53	M	87	Confident	81	Confident	0 Å²	0	40.5 Å²	40.5	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	121.8	175.5	-179	176.2	58.6	0	0	108.8	Y45 S46 I55 V163 V174 E175 F176	Y45-M53 WeakPolarHBondContact CA-O 3.4Å; S46-M53 PolarHBondContact N-O 2.99Å; S46-M53 PolarHBondContact O-N 3.42Å; S46-M53 VanDerWaalsContact OG-CE 3.28Å; S46-M53 WeakPolarHBondContact OG-CE 3.49Å; M53-I55 HydrophobicContact CE-CD1 4.04Å; M53-I55 HydrophobicContact CG-CD1 4.42Å; M53-I55 HydrophobicContact CG-CG1 4.02Å; M53-I55 HydrophobicContact SD-CD1 3.96Å; M53-I55 HydrophobicContact SD-CG1 4.21Å; M53-V163 HydrophobicContact SD-CG2 4.4Å; M53-V174 HydrophobicContact CG-CG1 4.13Å; M53-V174 HydrophobicContact SD-CG1 4.29Å; M53-E175 WeakPolarHBondContact CA-O 3.13Å; M53-F176 HydrophobicContact CB-CD1 4.01Å; M53-F176 HydrophobicContact CB-CE1 3.8Å; M53-F176 HydrophobicContact CG-CD1 4.16Å; M53-F176 HydrophobicContact CG-CE1 3.63Å; M53-F176 HydrophobicContact CG-CZ 4.09Å; M53-F176 HydrophobicContact SD-CE1 3.69Å; M53-F176 HydrophobicContact SD-CZ 3.83Å
54	R	87.3	Confident	79.1	Confident	6 Å²	6	42.1 Å²	42.1	2%	0.023	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	128	171	-173.5	-178	-67.8	120.4	1.9	109.3	Y43 R44 Y45 Q56 V174 E175 D226	Y43-R54 HydrophobicContact CE2-CG 3.78Å; Y43-R54 WeakPolarHBondContact OH-CD 3.15Å; Y43-R54 WeakPolarHBondContact OH-CG 3.27Å; Y43-R54 PolarHBondContact OH-NE 2.91Å; R44-R54 CarbonylContact O-C 3.57Å; R44-R54 WeakPolarHBondContact O-CA 3.39Å; Y45-R54 HydrophobicContact CD2-CB 4.06Å; Y45-R54 HydrophobicContact CD2-CG 4.49Å; R54-Q56 HydrophobicContact CG-CG 4.05Å; R54-V174 CarbonylContact O-C 3.47Å; R54-V174 WeakPolarHBondContact O-CA 3.14Å; R54-E175 HydrophobicContact CB-CB 4.32Å; R54-E175 PolarHBondContact N-O 3.37Å; R54-E175 PolarHBondContact O-N 3.38Å; R54-D226 IonicContact CZ-OD2 3.67Å; R54-D226 IonicContact NE-OD2 3.13Å; R54-D226 PolarHBondContact NE-OD2 3.2Å; R54-D226 VanDerWaalsContact NE-OD2 3.16Å; R54-D226 IonicContact NH2-OD2 3.8Å; R54-D226 PolarHBondContact NH2-OD2 3.07Å
55	I	86.1	Confident	77.3	Confident	0 Å²	0	44.3 Å²	44.3	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	129.8	176.1	-50	-175.8	0	0	0	108.5	Y43 R44 M53 V163 W167 T172 L173 V174	Y43-I55 CarbonylContact C-O 3.42Å; Y43-I55 WeakPolarHBondContact CA-O 3.33Å; R44-I55 HydrophobicContact CB-CB 4.17Å; R44-I55 PolarHBondContact N-O 2.86Å; R44-I55 PolarHBondContact O-N 2.79Å; M53-I55 HydrophobicContact CE-CD1 4.04Å; M53-I55 HydrophobicContact CG-CD1 4.42Å; M53-I55 HydrophobicContact CG-CG1 4.02Å; M53-I55 HydrophobicContact SD-CD1 3.96Å; M53-I55 HydrophobicContact SD-CG1 4.21Å; I55-V163 HydrophobicContact CD1-CG1 4.12Å; I55-W167 HydrophobicContact CB-CD2 4.32Å; I55-W167 HydrophobicContact CB-CE3 4.22Å; I55-W167 HydrophobicContact CD1-CB 4.02Å; I55-W167 HydrophobicContact CD1-CD2 4.31Å; I55-W167 HydrophobicContact CD1-CG 3.81Å; I55-W167 HydrophobicContact CG2-CB 3.92Å; I55-W167 HydrophobicContact CG2-CD2 3.69Å; I55-W167 HydrophobicContact CG2-CE3 3.38Å; I55-W167 HydrophobicContact CG2-CG 3.91Å; I55-W167 HydrophobicContact CG2-CZ3 4.12Å; I55-T172 HydrophobicContact CG2-CG2 3.39Å; I55-L173 WeakPolarHBondContact CA-O 3.47Å; I55-V174 HydrophobicContact CG1-CG1 4.39Å; I55-V174 HydrophobicContact CG1-CG2 4.34Å; I55-V174 HydrophobicContact CG2-CG2 4.3Å
56	Q	86.5	Confident	75.3	Confident	32 Å²	32	49.3 Å²	49.3	15%	0.15	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	132.5	-179.9	-51.5	-171.8	64.8	0	0	109.8	T42 Y43 R54 Q59 T172 L173 E175	T42-Q56 CarbonylContact O-C 3.55Å; T42-Q56 WeakPolarHBondContact O-CA 2.99Å; Y43-Q56 HydrophobicContact CD2-CG 3.75Å; Y43-Q56 HydrophobicContact CE2-CG 3.66Å; R54-Q56 HydrophobicContact CG-CG 4.05Å; Q56-Q59 HydrophobicContact CB-CG 3.74Å; Q56-T172 CarbonylContact O-C 3.59Å; Q56-T172 WeakPolarHBondContact O-CA 3.27Å; Q56-L173 PolarHBondContact N-O 3.32Å; Q56-L173 PolarHBondContact O-N 2.03Å; Q56-E175 PolarHBondContact NE2-OE2 3.49Å
57	R	85.5	Confident	72.8	Confident	43 Å²	43	58.7 Å²	58.7	16%	0.162	30%	0.304	C	S	.	.	S	Bend	trans	-92.7	165.1	175.4	-66.7	-81.1	-69.7	148.4	4.9	110.8	T42 Q59 W167 S170 G171 T172	T42-R57 WeakPolarHBondContact O-CB 3.09Å; T42-R57 PolarHBondContact O-N 3.38Å; R57-Q59 PolarHBondContact O-N 3.46Å; R57-Q59 PolarHBondContact O-NE2 2.85Å; R57-Q59 VanDerWaalsContact O-NE2 3.08Å; R57-W167 HydrophobicContact CG-CE3 3.72Å; R57-W167 HydrophobicContact CG-CZ3 3.42Å; R57-W167 VanDerWaalsContact CG-CZ3 3.42Å; R57-S170 PolarHBondContact NH1-O 2.02Å; R57-G171 CarbonylContact C-O 3.54Å; R57-T172 WeakPolarHBondContact CD-OG1 3.17Å; R57-T172 PolarHBondContact NH1-OG1 3.25Å
58	Y	84.6	Confident	70.9	Confident	178 Å²	178	65.3 Å²	65.3	70%	0.698	33%	0.332	S	S	*	.	S	Bend	trans	57.1	31.3	177.8	-47.9	-64.8	0	0	0	113.1	T42 G171	T42-Y58 HydrophobicContact CG2-CD2 4.05Å; T42-Y58 HydrophobicContact CG2-CE2 3.59Å; Y58-G171 PolarHBondContact N-O 3.33Å
59	Q	76.5	Confident	68.8	Low	70 Å²	70	71.6 Å²	71.6	33%	0.327	36%	0.36	S	S	.	.			trans	-83	141	174.3	-59.2	-58.5	-60.9	0	0	109.3	Q56 R57 G171 L173	Q56-Q59 HydrophobicContact CB-CG 3.74Å; R57-Q59 PolarHBondContact O-N 3.46Å; R57-Q59 PolarHBondContact O-NE2 2.85Å; R57-Q59 VanDerWaalsContact O-NE2 3.08Å; Q59-G171 PolarHBondContact N-O 2.76Å; Q59-L173 HydrophobicContact CB-CB 3.97Å; Q59-L173 HydrophobicContact CG-CB 3.68Å; Q59-L173 HydrophobicContact CG-CD2 4.46Å
60	S	72.8	Confident	67.3	Low	107 Å²	107	76.3 Å²	76.3	75%	0.748	39%	0.388	S	S	*	.			trans	-60.7	139.2	169.2	52.8	0	0	0	0	110	A62	S60-A62 PolarHBondContact O-N 3.19Å; S60-A62 VanDerWaalsContact O-N 3.08Å
61	E	61.4	Low	65.8	Low	112 Å²	112	81 Å²	81	52%	0.523	41%	0.412	S	S	.	.			trans	-60.1	115.4	173	-64.7	-172.8	177.9	0	0	109.5	V63 S65	E61-V63 PolarHBondContact O-N 3.2Å; E61-S65 PolarHBondContact OE2-N 3.24Å
62	A	56.4	Low	64.4	Low	97 Å²	97	83.5 Å²	83.5	80%	0.802	43%	0.425	S	S	*	.	S	Bend	trans	-63.6	-24.5	-177.5	0	0	0	0	0	112.6	S60	S60-A62 PolarHBondContact O-N 3.19Å; S60-A62 VanDerWaalsContact O-N 3.08Å
63	V	55.8	Low	62.8	Low	56 Å²	56	88.4 Å²	88.4	34%	0.339	45%	0.451	S	S	.	.	S	Bend	trans	-140.1	130	176.2	176.9	0	0	0	0	106.6	E61 S65 R67 F68	E61-V63 PolarHBondContact O-N 3.2Å; V63-S65 PolarHBondContact O-N 2.77Å; V63-R67 HydrophobicContact CG1-CB 4.01Å; V63-R67 HydrophobicContact CG1-CG 4.28Å; V63-F68 HydrophobicContact CB-CE2 3.59Å; V63-F68 HydrophobicContact CB-CZ 3.81Å; V63-F68 HydrophobicContact CG1-CD2 4.36Å; V63-F68 HydrophobicContact CG1-CE2 3.49Å; V63-F68 VanDerWaalsContact CG1-CE2 3.49Å; V63-F68 HydrophobicContact CG1-CZ 3.71Å; V63-F68 HydrophobicContact CG2-CZ 4.29Å
64	P	50.9	Low	61.3	Low	69 Å²	69	95.9 Å²	95.9	45%	0.448	48%	0.48	S	S	.	.			trans	-53.3	128	177.1	-24.8	32.7	0	0	0	110.7	D66 R67	P64-D66 PolarHBondContact O-N 2.91Å; P64-R67 PolarHBondContact O-N 3.08Å
65	S	54.2	Low	60.1	Low	65 Å²	65	100.9 Å²	100.9	46%	0.455	50%	0.502	S	S	.	.	G	3₁₀ helix	trans	-41	-37.2	175.7	167.8	0	0	0	0	113.5	E61 V63 R67 F68	E61-S65 PolarHBondContact OE2-N 3.24Å; V63-S65 PolarHBondContact O-N 2.77Å; S65-R67 PolarHBondContact O-N 2.55Å; S65-F68 PolarHBondContact O-N 2.74Å
66	D	47.4	Very low	59.1	Low	104 Å²	104	102.8 Å²	102.8	56%	0.556	51%	0.511	S	S	*	.	G	3₁₀ helix	trans	-54.7	-28.2	-179.5	-56.2	-44.6	0	0	0	114.6	P64 F68 K69	P64-D66 PolarHBondContact O-N 2.91Å; D66-F68 VanDerWaalsContact C-N 3.31Å; D66-K69 WeakPolarHBondContact OD1-CE 3.42Å; D66-K69 IonicContact OD1-NZ 3.67Å; D66-K69 PolarHBondContact OD1-NZ 2.99Å
67	R	39.4	Very low	58.2	Low	197 Å²	197	106.3 Å²	106.3	74%	0.743	53%	0.531	S	S	*	.	G	3₁₀ helix	trans	-74.4	-21.1	178	-67.3	-165.3	-179.7	-174.4	-0.5	113.5	V63 P64 S65	V63-R67 HydrophobicContact CG1-CB 4.01Å; V63-R67 HydrophobicContact CG1-CG 4.28Å; P64-R67 PolarHBondContact O-N 3.08Å; S65-R67 PolarHBondContact O-N 2.55Å
68	F	47	Very low	57.3	Low	147 Å²	147	112 Å²	112	65%	0.645	55%	0.552	S	S	*	*	G	3₁₀ helix	trans	-98	1.2	179.5	-56.6	-74.6	0	0	0	113.1	V63 S65 D66 N70	V63-F68 HydrophobicContact CB-CE2 3.59Å; V63-F68 HydrophobicContact CB-CZ 3.81Å; V63-F68 HydrophobicContact CG1-CD2 4.36Å; V63-F68 HydrophobicContact CG1-CE2 3.49Å; V63-F68 VanDerWaalsContact CG1-CE2 3.49Å; V63-F68 HydrophobicContact CG1-CZ 3.71Å; V63-F68 HydrophobicContact CG2-CZ 4.29Å; S65-F68 PolarHBondContact O-N 2.74Å; D66-F68 VanDerWaalsContact C-N 3.31Å; F68-N70 PolarHBondContact O-N 3.16Å; F68-N70 VanDerWaalsContact O-N 3.15Å
69	K	40.6	Very low	56.8	Low	145 Å²	145	112.5 Å²	112.5	63%	0.63	55%	0.553	S	S	*	*			trans	-57.2	-28.8	178.5	-81	177.2	171.7	160.8	0	113.2	D66 M71	D66-K69 WeakPolarHBondContact OD1-CE 3.42Å; D66-K69 IonicContact OD1-NZ 3.67Å; D66-K69 PolarHBondContact OD1-NZ 2.99Å; K69-M71 PolarHBondContact O-N 3.15Å; K69-M71 VanDerWaalsContact O-N 3.13Å
70	N	44.9	Very low	56.6	Low	140 Å²	140	110.3 Å²	110.3	75%	0.749	54%	0.543	S	S	*	.	S	Bend	trans	-79.7	102	177	-64.4	-16.5	0	0	0	108.7	F68 I72	F68-N70 PolarHBondContact O-N 3.16Å; F68-N70 VanDerWaalsContact O-N 3.15Å; N70-I72 PolarHBondContact O-N 2.89Å
71	M	48	Very low	56.8	Low	123 Å²	123	113.3 Å²	113.3	61%	0.606	55%	0.545	S	S	*	.			trans	-46.5	125.5	159.4	-177.2	172.2	154	0	0	107.5	K69 D73	K69-M71 PolarHBondContact O-N 3.15Å; K69-M71 VanDerWaalsContact O-N 3.13Å; M71-D73 VanDerWaalsContact C-N 3.26Å; M71-D73 PolarHBondContact O-N 2.93Å
72	I	53.4	Low	57.3	Low	61 Å²	61	112.1 Å²	112.1	31%	0.313	54%	0.539	S	S	.	.			trans	-64.3	93.3	179.6	-65.4	169.1	0	0	0	107.1	N70 Y74 F76 F96	N70-I72 PolarHBondContact O-N 2.89Å; I72-Y74 WeakPolarHBondContact CG2-O 3.31Å; I72-Y74 PolarHBondContact O-N 3.47Å; I72-F76 HydrophobicContact CB-CE1 4.42Å; I72-F76 HydrophobicContact CD1-CE1 3.78Å; I72-F76 HydrophobicContact CD1-CZ 4.23Å; I72-F76 HydrophobicContact CG1-CE1 4.02Å; I72-F76 HydrophobicContact CG2-CD1 3.67Å; I72-F76 HydrophobicContact CG2-CE1 3.51Å; I72-F96 HydrophobicContact CD1-CB 4.09Å; I72-F96 HydrophobicContact CD1-CD1 3.36Å; I72-F96 HydrophobicContact CD1-CE1 3.97Å; I72-F96 HydrophobicContact CD1-CG 3.91Å; I72-F96 HydrophobicContact CG2-CB 4.13Å
73	D	53.3	Low	58.1	Low	105 Å²	105	110.4 Å²	110.4	56%	0.561	52%	0.521	S	S	*	.			trans	-80.8	-3.2	-173.9	-166.3	28.5	0	0	0	112.6	M71 K98	M71-D73 VanDerWaalsContact C-N 3.26Å; M71-D73 PolarHBondContact O-N 2.93Å; D73-K98 WeakPolarHBondContact O-CD 3.27Å; D73-K98 PolarHBondContact O-NZ 3.16Å; D73-K98 WeakPolarHBondContact OD1-CE 3.18Å; D73-K98 IonicContact OD1-NZ 2.77Å; D73-K98 PolarHBondContact OD1-NZ 3.35Å
74	Y	55.3	Low	58.8	Low	156 Å²	156	110.1 Å²	110.1	61%	0.612	52%	0.515	S	S	*	.	S	Bend	trans	-135	140.6	-179.9	59.8	-85.6	0	0	0	110.8	I72 F76	I72-Y74 WeakPolarHBondContact CG2-O 3.31Å; I72-Y74 PolarHBondContact O-N 3.47Å; Y74-F76 HydrophobicContact CD2-CB 3.9Å; Y74-F76 HydrophobicContact CD2-CD1 4.03Å; Y74-F76 HydrophobicContact CD2-CG 4.39Å; Y74-F76 HydrophobicContact CE2-CB 3.76Å; Y74-F76 AromaticContact CE2-CD1 3.61Å; Y74-F76 HydrophobicContact CE2-CD1 3.61Å; Y74-F76 HydrophobicContact CE2-CE1 4.48Å; Y74-F76 AromaticContact CE2-CG 3.93Å; Y74-F76 HydrophobicContact CE2-CG 3.93Å; Y74-F76 PolarHBondContact O-N 3.48Å
75	K	62.5	Low	59.9	Low	111 Å²	111	109.7 Å²	109.7	48%	0.483	51%	0.514	S	S	.	.			trans	-65.6	128.7	171.8	-63.4	178.8	-172.9	-168.4	0	108.5	Y95 F96 H97 K98	K75-Y95 HydrophobicContact CB-CE1 4.37Å; K75-Y95 HydrophobicContact CB-CE2 4.45Å; K75-Y95 VanDerWaalsContact CB-OH 3.31Å; K75-Y95 WeakPolarHBondContact CB-OH 3.21Å; K75-Y95 VanDerWaalsContact CD-OH 3.22Å; K75-Y95 WeakPolarHBondContact CD-OH 3.49Å; K75-F96 VanDerWaalsContact CA-O 3.31Å; K75-F96 WeakPolarHBondContact CA-O 3.33Å; K75-H97 WeakPolarHBondContact CE-NE2 3.46Å; K75-H97 PolarHBondContact NZ-NE2 2.85Å; K75-K98 HydrophobicContact CG-CB 4.23Å
76	F	64.4	Low	60.8	Low	41 Å²	41	106.8 Å²	106.8	18%	0.18	49%	0.493	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	143.5	173.6	75.1	-92.5	0	0	0	112	I72 Y74 R78 Y95 F96	I72-F76 HydrophobicContact CB-CE1 4.42Å; I72-F76 HydrophobicContact CD1-CE1 3.78Å; I72-F76 HydrophobicContact CD1-CZ 4.23Å; I72-F76 HydrophobicContact CG1-CE1 4.02Å; I72-F76 HydrophobicContact CG2-CD1 3.67Å; I72-F76 HydrophobicContact CG2-CE1 3.51Å; Y74-F76 HydrophobicContact CD2-CB 3.9Å; Y74-F76 HydrophobicContact CD2-CD1 4.03Å; Y74-F76 HydrophobicContact CD2-CG 4.39Å; Y74-F76 HydrophobicContact CE2-CB 3.76Å; Y74-F76 AromaticContact CE2-CD1 3.61Å; Y74-F76 HydrophobicContact CE2-CD1 3.61Å; Y74-F76 HydrophobicContact CE2-CE1 4.48Å; Y74-F76 AromaticContact CE2-CG 3.93Å; Y74-F76 HydrophobicContact CE2-CG 3.93Å; Y74-F76 PolarHBondContact O-N 3.48Å; F76-R78 HydrophobicContact CD2-CG 3.92Å; F76-R78 HydrophobicContact CE2-CG 3.69Å; F76-Y95 WeakPolarHBondContact O-CA 3.16Å; F76-F96 HydrophobicContact CD1-CB 3.98Å; F76-F96 HydrophobicContact CD1-CD2 4.22Å; F76-F96 HydrophobicContact CD1-CG 4.29Å; F76-F96 AromaticContact CD2-CD2 3.72Å; F76-F96 HydrophobicContact CD2-CD2 3.72Å; F76-F96 HydrophobicContact CD2-CE2 4.23Å; F76-F96 HydrophobicContact CE1-CB 3.8Å; F76-F96 HydrophobicContact CE1-CD1 4.39Å; F76-F96 AromaticContact CE1-CD2 3.73Å; F76-F96 HydrophobicContact CE1-CD2 3.73Å; F76-F96 HydrophobicContact CE1-CE2 4.4Å; F76-F96 AromaticContact CE1-CG 3.72Å; F76-F96 HydrophobicContact CE1-CG 3.72Å; F76-F96 AromaticContact CE2-CD2 3.15Å; F76-F96 HydrophobicContact CE2-CD2 3.15Å; F76-F96 AromaticContact CE2-CE2 3.32Å; F76-F96 HydrophobicContact CE2-CE2 3.32Å; F76-F96 HydrophobicContact CE2-CG 4.01Å; F76-F96 HydrophobicContact CE2-CZ 4.27Å; F76-F96 HydrophobicContact CG-CB 4.48Å; F76-F96 HydrophobicContact CG-CD2 4.22Å; F76-F96 HydrophobicContact CZ-CB 4.15Å; F76-F96 HydrophobicContact CZ-CD1 4.13Å; F76-F96 AromaticContact CZ-CD2 3.15Å; F76-F96 HydrophobicContact CZ-CD2 3.15Å; F76-F96 HydrophobicContact CZ-CE1 4.32Å; F76-F96 AromaticContact CZ-CE2 3.42Å; F76-F96 HydrophobicContact CZ-CE2 3.42Å; F76-F96 VanDerWaalsContact CZ-CE2 3.42Å; F76-F96 AromaticContact CZ-CG 3.55Å; F76-F96 HydrophobicContact CZ-CG 3.55Å; F76-F96 HydrophobicContact CZ-CZ 4.01Å; F76-F96 PolarHBondContact N-O 2.81Å; F76-F96 PolarHBondContact O-N 2.88Å
77	D	67.6	Low	62	Low	105 Å²	105	102.3 Å²	102.3	56%	0.561	47%	0.468	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-96.4	149.6	169	58	-67.7	0	0	0	111.1	I94 Y95	D77-I94 CarbonylContact C-O 3.55Å; D77-I94 WeakPolarHBondContact CA-O 3.39Å; D77-Y95 HydrophobicContact CB-CD2 3.97Å
78	R	67.6	Low	63.5	Low	163 Å²	163	95.5 Å²	95.5	62%	0.615	46%	0.459	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-131.5	117.6	167.2	-80.3	-67.6	-148.4	-127.5	2.2	108.2	F76 E93 I94	F76-R78 HydrophobicContact CD2-CG 3.92Å; F76-R78 HydrophobicContact CE2-CG 3.69Å; R78-E93 WeakPolarHBondContact O-CA 3.38Å; R78-I94 PolarHBondContact N-O 2.96Å; R78-I94 PolarHBondContact O-N 3Å
79	R	74.3	Confident	64.6	Low	189 Å²	189	91 Å²	91	71%	0.713	45%	0.446	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-75.2	124.6	162.9	-167.6	168.9	176.3	178.1	0.5	109.4	E93	R79-E93 HydrophobicContact CB-CG 4.19Å; R79-E93 HydrophobicContact CG-CG 4.08Å
80	L	70.8	Confident	66.2	Low	24 Å²	24	89.8 Å²	89.8	13%	0.126	44%	0.442	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	146.2	179.3	-60	-179	0	0	0	110.3	Y3 F82 F84 K92 I94	Y3-L80 VanDerWaalsContact OH-CD2 3.3Å; Y3-L80 WeakPolarHBondContact OH-CD2 3.36Å; L80-F82 WeakPolarHBondContact CB-O 3.06Å; L80-F82 HydrophobicContact CD1-CE2 4.19Å; L80-F82 HydrophobicContact CD1-CZ 4.34Å; L80-F82 PolarHBondContact O-N 3.48Å; L80-F84 HydrophobicContact CD1-CD1 3.76Å; L80-F84 HydrophobicContact CD1-CE1 3.47Å; L80-F84 VanDerWaalsContact CD1-CE1 3.47Å; L80-K92 WeakPolarHBondContact CB-O 3.39Å; L80-K92 PolarHBondContact N-O 2.84Å; L80-I94 HydrophobicContact CD1-CD1 3.87Å; L80-I94 HydrophobicContact CD1-CG1 3.98Å; L80-I94 HydrophobicContact CD2-CD1 4.08Å; L80-I94 HydrophobicContact CD2-CG1 4.38Å; L80-I94 HydrophobicContact CG-CD1 4.34Å; L80-I94 HydrophobicContact CG-CG1 4.28Å
81	Q	76.9	Confident	67.3	Low	170 Å²	170	83.1 Å²	83.1	79%	0.794	41%	0.407	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-74.3	-12.3	172.3	-65.8	-178.8	-0.2	0	0	112.6
82	F	73.7	Confident	68.5	Low	86 Å²	86	82.3 Å²	82.3	38%	0.377	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	157.8	177.4	61.1	-91.7	0	0	0	109.6	Y3 L80 F84	Y3-F82 HydrophobicContact CD1-CE1 4.39Å; Y3-F82 AromaticContact CE1-CE1 3.59Å; Y3-F82 HydrophobicContact CE1-CE1 3.59Å; Y3-F82 AromaticContact CE1-CZ 3.9Å; Y3-F82 HydrophobicContact CE1-CZ 3.9Å; Y3-F82 HydrophobicContact CE2-CZ 4.21Å; Y3-F82 AromaticContact CZ-CE1 3.77Å; Y3-F82 AromaticContact CZ-CZ 3.58Å; Y3-F82 WeakPolarHBondContact OH-CZ 3.45Å; L80-F82 WeakPolarHBondContact CB-O 3.06Å; L80-F82 HydrophobicContact CD1-CE2 4.19Å; L80-F82 HydrophobicContact CD1-CZ 4.34Å; L80-F82 PolarHBondContact O-N 3.48Å; F82-F84 HydrophobicContact CE2-CD1 4.12Å
83	S	71.3	Confident	69.1	Low	62 Å²	62	83 Å²	83	43%	0.434	40%	0.401	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	148.1	167.4	56	0	0	0	0	110.3	A91	S83-A91 VanDerWaalsContact CA-O 3.23Å; S83-A91 WeakPolarHBondContact CA-O 3.26Å
84	F	71.9	Confident	69.7	Low	50 Å²	50	78.3 Å²	78.3	22%	0.219	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	156.2	170	67.8	-81.5	0	0	0	110.4	L80 F82 F86 A91 I94 I106	L80-F84 HydrophobicContact CD1-CD1 3.76Å; L80-F84 HydrophobicContact CD1-CE1 3.47Å; L80-F84 VanDerWaalsContact CD1-CE1 3.47Å; F82-F84 HydrophobicContact CE2-CD1 4.12Å; F84-F86 HydrophobicContact CD2-CB 4.38Å; F84-F86 HydrophobicContact CE2-CB 3.93Å; F84-F86 HydrophobicContact CE2-CD2 4.15Å; F84-F86 HydrophobicContact CE2-CG 4.39Å; F84-A91 HydrophobicContact CD1-CB 3.99Å; F84-A91 HydrophobicContact CD2-CB 4.27Å; F84-A91 HydrophobicContact CE1-CB 3.55Å; F84-A91 HydrophobicContact CE2-CB 3.88Å; F84-A91 HydrophobicContact CG-CB 4.32Å; F84-A91 HydrophobicContact CZ-CB 3.5Å; F84-A91 PolarHBondContact N-O 3.49Å; F84-A91 VanDerWaalsContact N-O 3.07Å; F84-A91 PolarHBondContact O-N 3.22Å; F84-I94 HydrophobicContact CE1-CD1 4.38Å; F84-I106 HydrophobicContact CE2-CD1 4.25Å; F84-I106 HydrophobicContact CZ-CD1 4.01Å; F84-I106 HydrophobicContact CZ-CG1 4.48Å; F84-I106 HydrophobicContact CZ-CG2 3.97Å
85	S	73.8	Confident	70.2	Confident	60 Å²	60	73.9 Å²	73.9	42%	0.42	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	127.7	177.8	-58.2	0	0	0	0	110.4
86	F	72.4	Confident	70.2	Confident	3 Å²	3	71.4 Å²	71.4	1%	0.013	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	112.3	173.8	-169.1	-96.8	0	0	0	110.1	Y51 F84 G88 S89 A91 I106 I112 R113 I115 I146	Y51-F86 WeakPolarHBondContact OH-CA 3.13Å; Y51-F86 WeakPolarHBondContact OH-CD2 2.96Å; Y51-F86 WeakPolarHBondContact OH-CG 3.43Å; F84-F86 HydrophobicContact CD2-CB 4.38Å; F84-F86 HydrophobicContact CE2-CB 3.93Å; F84-F86 HydrophobicContact CE2-CD2 4.15Å; F84-F86 HydrophobicContact CE2-CG 4.39Å; F86-G88 VanDerWaalsContact C-N 3.34Å; F86-G88 PolarHBondContact O-N 2.02Å; F86-S89 PolarHBondContact N-O 2.81Å; F86-S89 WeakPolarHBondContact O-CB 3.43Å; F86-S89 PolarHBondContact O-N 3.07Å; F86-A91 HydrophobicContact CB-CB 4.12Å; F86-I106 HydrophobicContact CB-CG2 4.2Å; F86-I106 HydrophobicContact CD1-CB 4.26Å; F86-I106 HydrophobicContact CD1-CD1 4.27Å; F86-I106 HydrophobicContact CD1-CG2 4.02Å; F86-I106 HydrophobicContact CD2-CD1 3.57Å; F86-I106 HydrophobicContact CE1-CB 4.36Å; F86-I106 HydrophobicContact CE1-CD1 4.17Å; F86-I106 HydrophobicContact CE2-CD1 3.48Å; F86-I106 VanDerWaalsContact CE2-CD1 3.48Å; F86-I106 HydrophobicContact CG-CD1 3.99Å; F86-I106 HydrophobicContact CG-CG2 4.04Å; F86-I106 HydrophobicContact CZ-CD1 3.81Å; F86-I112 HydrophobicContact CD1-CB 4.24Å; F86-I112 HydrophobicContact CD1-CG2 3.64Å; F86-I112 HydrophobicContact CE1-CG2 4.27Å; F86-R113 HydrophobicContact CE1-CB 4.11Å; F86-I115 HydrophobicContact CE2-CD1 4.39Å; F86-I115 HydrophobicContact CE2-CG1 4.13Å; F86-I115 HydrophobicContact CZ-CG1 4.43Å; F86-I146 HydrophobicContact CE2-CG2 3.7Å; F86-I146 HydrophobicContact CZ-CG2 3.91Å
87	Y	72.8	Confident	69.9	Low	11 Å²	11	71.3 Å²	71.3	4%	0.043	35%	0.348	C	S	.	.	T	Hydrogen-bonded Turn	trans	44.3	54.1	-174.4	-74.9	-90.3	0	0	0	113.4	Y50 Y51 S89 I146 G148 F150 D159	Y50-Y87 AromaticContact CD2-CD1 3.31Å; Y50-Y87 HydrophobicContact CD2-CD1 3.31Å; Y50-Y87 AromaticContact CD2-CE1 3.66Å; Y50-Y87 HydrophobicContact CD2-CE1 3.66Å; Y50-Y87 HydrophobicContact CD2-CG 4.21Å; Y50-Y87 AromaticContact CE2-CD1 3.73Å; Y50-Y87 HydrophobicContact CE2-CD1 3.73Å; Y50-Y87 HydrophobicContact CE2-CE1 4.35Å; Y50-Y87 HydrophobicContact CG-CD1 4.16Å; Y51-Y87 HydrophobicContact CD2-CE2 4.5Å; Y51-Y87 AromaticContact CE2-CD2 3.78Å; Y51-Y87 HydrophobicContact CE2-CD2 3.78Å; Y51-Y87 HydrophobicContact CE2-CE1 4.3Å; Y51-Y87 AromaticContact CE2-CE2 3.49Å; Y51-Y87 HydrophobicContact CE2-CE2 3.49Å; Y51-Y87 VanDerWaalsContact CE2-CE2 3.49Å; Y51-Y87 HydrophobicContact CE2-CG 4.33Å; Y51-Y87 AromaticContact CE2-CZ 3.79Å; Y51-Y87 WeakPolarHBondContact OH-CD2 3.14Å; Y51-Y87 PolarHBondContact OH-N 3.47Å; Y87-S89 PolarHBondContact O-N 3.39Å; Y87-S89 VanDerWaalsContact O-N 3.12Å; Y87-I146 HydrophobicContact CE2-CG2 3.62Å; Y87-G148 VanDerWaalsContact CZ-CA 3.43Å; Y87-F150 HydrophobicContact CD1-CB 4.44Å; Y87-F150 AromaticContact CD1-CD1 3.74Å; Y87-F150 HydrophobicContact CD1-CD1 3.74Å; Y87-F150 HydrophobicContact CD1-CG 4.5Å; Y87-F150 AromaticContact CE1-CD1 3.96Å; Y87-F150 HydrophobicContact CE1-CD1 3.96Å; Y87-F150 HydrophobicContact CE1-CE1 4.32Å; Y87-D159 HydrophobicContact CE1-CB 3.82Å; Y87-D159 WeakPolarHBondContact CE1-OD2 3.41Å; Y87-D159 PolarHBondContact OH-O 3.43Å; Y87-D159 PolarHBondContact OH-OD2 3.29Å; Y87-D159 VanDerWaalsContact OH-OD2 3.08Å
88	G	70.8	Confident	69.4	Low	53 Å²	53	70.5 Å²	70.5	55%	0.546	34%	0.34	S	S	.	.	T	Hydrogen-bonded Turn	trans	72.6	-3.3	-179.3	0	0	0	0	0	115.5	F86	F86-G88 VanDerWaalsContact C-N 3.34Å; F86-G88 PolarHBondContact O-N 2.02Å
89	S	71	Confident	68.5	Low	52 Å²	52	67.1 Å²	67.1	36%	0.364	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	144.9	179.4	-62.5	0	0	0	0	111.9	F86 Y87 A91	F86-S89 PolarHBondContact N-O 2.81Å; F86-S89 WeakPolarHBondContact O-CB 3.43Å; F86-S89 PolarHBondContact O-N 3.07Å; Y87-S89 PolarHBondContact O-N 3.39Å; Y87-S89 VanDerWaalsContact O-N 3.12Å; S89-A91 PolarHBondContact O-N 3.32Å
90	H	73	Confident	67.3	Low	121 Å²	121	64.9 Å²	64.9	56%	0.56	33%	0.33	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-80.7	102.5	172.8	-66.7	-69.5	0	0	0	110.6	G108	H90-G108 WeakPolarHBondContact O-CA 3.21Å
91	A	69.1	Low	66.5	Low	0 Å²	0	67.1 Å²	67.1	0%	0	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	131.5	174	0	0	0	0	0	110.7	S83 F84 F86 S89 I106 F107 I112	S83-A91 VanDerWaalsContact CA-O 3.23Å; S83-A91 WeakPolarHBondContact CA-O 3.26Å; F84-A91 HydrophobicContact CD1-CB 3.99Å; F84-A91 HydrophobicContact CD2-CB 4.27Å; F84-A91 HydrophobicContact CE1-CB 3.55Å; F84-A91 HydrophobicContact CE2-CB 3.88Å; F84-A91 HydrophobicContact CG-CB 4.32Å; F84-A91 HydrophobicContact CZ-CB 3.5Å; F84-A91 PolarHBondContact N-O 3.49Å; F84-A91 VanDerWaalsContact N-O 3.07Å; F84-A91 PolarHBondContact O-N 3.22Å; F86-A91 HydrophobicContact CB-CB 4.12Å; S89-A91 PolarHBondContact O-N 3.32Å; A91-I106 HydrophobicContact CB-CG2 3.32Å; A91-F107 WeakPolarHBondContact CA-O 3.45Å; A91-I112 HydrophobicContact CB-CD1 3.97Å
92	K	73.5	Confident	65.3	Low	106 Å²	106	63 Å²	63	46%	0.461	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	-12.2	177.8	-71.4	-178.2	-177.8	179.2	0	112.7	L80 F107	L80-K92 WeakPolarHBondContact CB-O 3.39Å; L80-K92 PolarHBondContact N-O 2.84Å; K92-F107 PolarHBondContact N-O 2.87Å
93	E	66.2	Low	64.2	Low	74 Å²	74	60.1 Å²	60.1	35%	0.346	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	138	-175.8	-72.7	172.1	-160.5	0	0	109	R78 R79 F107	R78-E93 WeakPolarHBondContact O-CA 3.38Å; R79-E93 HydrophobicContact CB-CG 4.19Å; R79-E93 HydrophobicContact CG-CG 4.08Å; E93-F107 HydrophobicContact CB-CB 3.94Å; E93-F107 PolarHBondContact N-O 3.5Å; E93-F107 PolarHBondContact O-N 3.34Å
94	I	65.7	Low	63.3	Low	8 Å²	8	58.8 Å²	58.8	4%	0.041	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	129.4	176	-65.8	-174.7	0	0	0	106.9	M1 D77 R78 L80 F84 F96 L104	M1-I94 HydrophobicContact CE-CD1 3.74Å; D77-I94 CarbonylContact C-O 3.55Å; D77-I94 WeakPolarHBondContact CA-O 3.39Å; R78-I94 PolarHBondContact N-O 2.96Å; R78-I94 PolarHBondContact O-N 3Å; L80-I94 HydrophobicContact CD1-CD1 3.87Å; L80-I94 HydrophobicContact CD1-CG1 3.98Å; L80-I94 HydrophobicContact CD2-CD1 4.08Å; L80-I94 HydrophobicContact CD2-CG1 4.38Å; L80-I94 HydrophobicContact CG-CD1 4.34Å; L80-I94 HydrophobicContact CG-CG1 4.28Å; F84-I94 HydrophobicContact CE1-CD1 4.38Å; I94-F96 HydrophobicContact CG2-CD2 4.25Å; I94-F96 HydrophobicContact CG2-CE2 3.67Å; I94-F96 HydrophobicContact CG2-CZ 3.94Å; I94-L104 HydrophobicContact CG2-CD1 3.08Å; I94-L104 HydrophobicContact CG2-CD2 3.98Å; I94-L104 HydrophobicContact CG2-CG 3.63Å
95	Y	64.4	Low	62.4	Low	63 Å²	63	57.6 Å²	57.6	25%	0.247	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	126.3	-180	-177.6	-91	0	0	0	109.8	K75 F76 D77 H97 H105 F107	K75-Y95 HydrophobicContact CB-CE1 4.37Å; K75-Y95 HydrophobicContact CB-CE2 4.45Å; K75-Y95 VanDerWaalsContact CB-OH 3.31Å; K75-Y95 WeakPolarHBondContact CB-OH 3.21Å; K75-Y95 VanDerWaalsContact CD-OH 3.22Å; K75-Y95 WeakPolarHBondContact CD-OH 3.49Å; F76-Y95 WeakPolarHBondContact O-CA 3.16Å; D77-Y95 HydrophobicContact CB-CD2 3.97Å; Y95-H97 HydrophobicContact CD1-CB 4.03Å; Y95-H97 HydrophobicContact CE1-CB 3.77Å; Y95-H97 AromaticContact CE1-CD2 3.76Å; Y95-H105 HydrophobicContact CD1-CB 4.31Å; Y95-H105 PolarHBondContact N-O 3.49Å; Y95-H105 PolarHBondContact O-N 2.82Å; Y95-F107 HydrophobicContact CG-CE2 4.14Å
96	F	63.6	Low	61.3	Low	58 Å²	58	54.8 Å²	54.8	25%	0.254	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	113.7	176.1	-62.7	-97.5	0	0	0	107.5	I72 K75 F76 I94 L104	I72-F96 HydrophobicContact CD1-CB 4.09Å; I72-F96 HydrophobicContact CD1-CD1 3.36Å; I72-F96 HydrophobicContact CD1-CE1 3.97Å; I72-F96 HydrophobicContact CD1-CG 3.91Å; I72-F96 HydrophobicContact CG2-CB 4.13Å; K75-F96 VanDerWaalsContact CA-O 3.31Å; K75-F96 WeakPolarHBondContact CA-O 3.33Å; F76-F96 HydrophobicContact CD1-CB 3.98Å; F76-F96 HydrophobicContact CD1-CD2 4.22Å; F76-F96 HydrophobicContact CD1-CG 4.29Å; F76-F96 AromaticContact CD2-CD2 3.72Å; F76-F96 HydrophobicContact CD2-CD2 3.72Å; F76-F96 HydrophobicContact CD2-CE2 4.23Å; F76-F96 HydrophobicContact CE1-CB 3.8Å; F76-F96 HydrophobicContact CE1-CD1 4.39Å; F76-F96 AromaticContact CE1-CD2 3.73Å; F76-F96 HydrophobicContact CE1-CD2 3.73Å; F76-F96 HydrophobicContact CE1-CE2 4.4Å; F76-F96 AromaticContact CE1-CG 3.72Å; F76-F96 HydrophobicContact CE1-CG 3.72Å; F76-F96 AromaticContact CE2-CD2 3.15Å; F76-F96 HydrophobicContact CE2-CD2 3.15Å; F76-F96 AromaticContact CE2-CE2 3.32Å; F76-F96 HydrophobicContact CE2-CE2 3.32Å; F76-F96 HydrophobicContact CE2-CG 4.01Å; F76-F96 HydrophobicContact CE2-CZ 4.27Å; F76-F96 HydrophobicContact CG-CB 4.48Å; F76-F96 HydrophobicContact CG-CD2 4.22Å; F76-F96 HydrophobicContact CZ-CB 4.15Å; F76-F96 HydrophobicContact CZ-CD1 4.13Å; F76-F96 AromaticContact CZ-CD2 3.15Å; F76-F96 HydrophobicContact CZ-CD2 3.15Å; F76-F96 HydrophobicContact CZ-CE1 4.32Å; F76-F96 AromaticContact CZ-CE2 3.42Å; F76-F96 HydrophobicContact CZ-CE2 3.42Å; F76-F96 VanDerWaalsContact CZ-CE2 3.42Å; F76-F96 AromaticContact CZ-CG 3.55Å; F76-F96 HydrophobicContact CZ-CG 3.55Å; F76-F96 HydrophobicContact CZ-CZ 4.01Å; F76-F96 PolarHBondContact N-O 2.81Å; F76-F96 PolarHBondContact O-N 2.88Å; I94-F96 HydrophobicContact CG2-CD2 4.25Å; I94-F96 HydrophobicContact CG2-CE2 3.67Å; I94-F96 HydrophobicContact CG2-CZ 3.94Å; F96-L104 HydrophobicContact CD1-CD1 3.4Å; F96-L104 VanDerWaalsContact CD1-CD1 3.4Å; F96-L104 HydrophobicContact CD2-CD1 4.12Å; F96-L104 HydrophobicContact CE1-CD1 3.23Å; F96-L104 HydrophobicContact CE2-CD1 3.96Å; F96-L104 HydrophobicContact CG-CD1 3.88Å; F96-L104 HydrophobicContact CZ-CD1 3.54Å
97	H	57.6	Low	59.9	Low	39 Å²	39	57.4 Å²	57.4	18%	0.181	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	128	177.3	-168.5	-76.9	0	0	0	110.6	K75 Y95 N99 I103 H105	K75-H97 WeakPolarHBondContact CE-NE2 3.46Å; K75-H97 PolarHBondContact NZ-NE2 2.85Å; Y95-H97 HydrophobicContact CD1-CB 4.03Å; Y95-H97 HydrophobicContact CE1-CB 3.77Å; Y95-H97 AromaticContact CE1-CD2 3.76Å; H97-N99 VanDerWaalsContact CE1-CG 3.46Å; H97-N99 PolarHBondContact CE1-ND2 3.04Å; H97-N99 VanDerWaalsContact CE1-ND2 3.32Å; H97-N99 PolarHBondContact CE1-OD1 3.21Å; H97-N99 PolarHBondContact O-N 3.4Å; H97-I103 PolarHBondContact N-O 3.38Å; H97-H105 WeakPolarHBondContact CB-CD2 3.21Å; H97-H105 WeakPolarHBondContact CB-NE2 3.48Å; H97-H105 AromaticContact CG-NE2 3.75Å
98	K	56.1	Low	58.6	Low	88 Å²	88	57.9 Å²	57.9	38%	0.383	30%	0.299	S	S	.	.			trans	-73.5	107.9	166.2	178.1	178	-179.9	171.3	0	109.5	D73 K75	D73-K98 WeakPolarHBondContact O-CD 3.27Å; D73-K98 PolarHBondContact O-NZ 3.16Å; D73-K98 WeakPolarHBondContact OD1-CE 3.18Å; D73-K98 IonicContact OD1-NZ 2.77Å; D73-K98 PolarHBondContact OD1-NZ 3.35Å; K75-K98 HydrophobicContact CG-CB 4.23Å
99	N	50.5	Low	56.6	Low	93 Å²	93	68.5 Å²	68.5	50%	0.497	32%	0.322	S	S	.	.	S	Bend	trans	-138.6	172.7	151.1	-85.2	-20.3	0	0	0	106.7	H97 Q101	H97-N99 VanDerWaalsContact CE1-CG 3.46Å; H97-N99 PolarHBondContact CE1-ND2 3.04Å; H97-N99 VanDerWaalsContact CE1-ND2 3.32Å; H97-N99 PolarHBondContact CE1-OD1 3.21Å; H97-N99 PolarHBondContact O-N 3.4Å; N99-Q101 CarbonylContact O-C 3.37Å; N99-Q101 PolarHBondContact O-N 2.66Å
100	F	49.1	Very low	55.5	Low	142 Å²	142	70 Å²	70	62%	0.623	33%	0.333	S	S	*	.	S	Bend	trans	-49.7	-7.2	176.2	-64.1	-84.7	0	0	0	115.1
101	Q	54.2	Low	54.3	Low	71 Å²	71	68.3 Å²	68.3	33%	0.332	32%	0.323	S	S	.	.	S	Bend	trans	-131	113.3	175.7	-63.8	168.7	-16.2	0	0	106.6	N99 I103 Y118	N99-Q101 CarbonylContact O-C 3.37Å; N99-Q101 PolarHBondContact O-N 2.66Å; Q101-I103 PolarHBondContact O-N 3.15Å; Q101-Y118 HydrophobicContact CB-CD1 4.02Å; Q101-Y118 HydrophobicContact CB-CD2 4.09Å; Q101-Y118 HydrophobicContact CB-CG 3.73Å; Q101-Y118 HydrophobicContact CG-CD1 4.43Å; Q101-Y118 HydrophobicContact CG-CD2 3.66Å; Q101-Y118 HydrophobicContact CG-CE2 4.1Å; Q101-Y118 HydrophobicContact CG-CG 3.86Å
102	P	51	Low	53.7	Low	82 Å²	82	68.9 Å²	68.9	53%	0.532	33%	0.326	S	S	.	.			trans	-64	108.8	176.3	17.1	-22.4	0	0	0	109.1	N117	P102-N117 WeakPolarHBondContact CG-O 3.38Å
103	I	50.4	Low	53.3	Low	26 Å²	26	66.7 Å²	66.7	13%	0.133	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	122.9	177.5	-65.7	166	0	0	0	107.1	H97 Q101 H105 N114	H97-I103 PolarHBondContact N-O 3.38Å; Q101-I103 PolarHBondContact O-N 3.15Å; I103-H105 WeakPolarHBondContact CG2-NE2 3.19Å; I103-H105 PolarHBondContact O-CD2 3.26Å; I103-N114 HydrophobicContact CG2-CB 3.82Å
104	L	52.7	Low	53.1	Low	35 Å²	35	63.8 Å²	63.8	18%	0.183	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	109.8	172.9	-172	68.6	0	0	0	108.4	I94 F96 N114 I115	I94-L104 HydrophobicContact CG2-CD1 3.08Å; I94-L104 HydrophobicContact CG2-CD2 3.98Å; I94-L104 HydrophobicContact CG2-CG 3.63Å; F96-L104 HydrophobicContact CD1-CD1 3.4Å; F96-L104 VanDerWaalsContact CD1-CD1 3.4Å; F96-L104 HydrophobicContact CD2-CD1 4.12Å; F96-L104 HydrophobicContact CE1-CD1 3.23Å; F96-L104 HydrophobicContact CE2-CD1 3.96Å; F96-L104 HydrophobicContact CG-CD1 3.88Å; F96-L104 HydrophobicContact CZ-CD1 3.54Å; L104-N114 CarbonylContact O-C 3.52Å; L104-N114 VanDerWaalsContact O-CA 3.23Å; L104-N114 WeakPolarHBondContact O-CA 3.15Å; L104-I115 HydrophobicContact CB-CB 4.11Å; L104-I115 WeakPolarHBondContact CB-O 3.44Å; L104-I115 HydrophobicContact CD2-CB 4.27Å; L104-I115 HydrophobicContact CD2-CD1 4.33Å; L104-I115 PolarHBondContact N-O 2.93Å; L104-I115 PolarHBondContact O-N 3.05Å
105	H	52.9	Low	52.9	Low	25 Å²	25	65.5 Å²	65.5	12%	0.116	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	134.9	176.5	-61.5	-93.1	0	0	0	109.7	Y95 H97 I103 F107 Y111 R113 N114	Y95-H105 HydrophobicContact CD1-CB 4.31Å; Y95-H105 PolarHBondContact N-O 3.49Å; Y95-H105 PolarHBondContact O-N 2.82Å; H97-H105 WeakPolarHBondContact CB-CD2 3.21Å; H97-H105 WeakPolarHBondContact CB-NE2 3.48Å; H97-H105 AromaticContact CG-NE2 3.75Å; I103-H105 WeakPolarHBondContact CG2-NE2 3.19Å; I103-H105 PolarHBondContact O-CD2 3.26Å; H105-F107 HydrophobicContact CB-CD2 4.2Å; H105-F107 HydrophobicContact CB-CE2 3.51Å; H105-F107 HydrophobicContact CB-CZ 4.37Å; H105-Y111 HydrophobicContact CB-CE2 3.9Å; H105-Y111 AromaticContact CG-CE2 3.97Å; H105-Y111 AromaticContact ND1-CE2 3.31Å; H105-Y111 VanDerWaalsContact ND1-CE2 3.31Å; H105-Y111 WeakPolarHBondContact ND1-CE2 3.09Å; H105-Y111 AromaticContact ND1-CZ 3.67Å; H105-Y111 PolarHBondContact ND1-OH 2.83Å; H105-R113 CarbonylContact C-O 3.54Å; H105-R113 WeakPolarHBondContact CA-O 3.24Å; H105-N114 PolarHBondContact CE1-OD1 3.06Å; H105-N114 PolarHBondContact ND1-OD1 3.47Å
106	I	49.8	Very low	52.8	Low	1 Å²	1	63.6 Å²	63.6	1%	0.005	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	129.1	-179.2	-64.5	176.7	0	0	0	109	F84 F86 A91 I112 R113 I115	F84-I106 HydrophobicContact CE2-CD1 4.25Å; F84-I106 HydrophobicContact CZ-CD1 4.01Å; F84-I106 HydrophobicContact CZ-CG1 4.48Å; F84-I106 HydrophobicContact CZ-CG2 3.97Å; F86-I106 HydrophobicContact CB-CG2 4.2Å; F86-I106 HydrophobicContact CD1-CB 4.26Å; F86-I106 HydrophobicContact CD1-CD1 4.27Å; F86-I106 HydrophobicContact CD1-CG2 4.02Å; F86-I106 HydrophobicContact CD2-CD1 3.57Å; F86-I106 HydrophobicContact CE1-CB 4.36Å; F86-I106 HydrophobicContact CE1-CD1 4.17Å; F86-I106 HydrophobicContact CE2-CD1 3.48Å; F86-I106 VanDerWaalsContact CE2-CD1 3.48Å; F86-I106 HydrophobicContact CG-CD1 3.99Å; F86-I106 HydrophobicContact CG-CG2 4.04Å; F86-I106 HydrophobicContact CZ-CD1 3.81Å; A91-I106 HydrophobicContact CB-CG2 3.32Å; I106-I112 HydrophobicContact CG2-CD1 4.23Å; I106-I112 WeakPolarHBondContact O-CA 3.36Å; I106-I112 WeakPolarHBondContact O-CB 3.34Å; I106-I112 PolarHBondContact O-N 2.93Å; I106-R113 PolarHBondContact N-O 3.5Å; I106-R113 PolarHBondContact O-N 2.83Å; I106-I115 HydrophobicContact CD1-CD1 3.52Å; I106-I115 HydrophobicContact CD1-CG1 3.62Å
107	F	42.9	Very low	52.7	Low	58 Å²	58	65.7 Å²	65.7	25%	0.254	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	143.4	-175.1	-71.9	-98.8	0	0	0	111.8	A91 K92 E93 Y95 H105 Y111	A91-F107 WeakPolarHBondContact CA-O 3.45Å; K92-F107 PolarHBondContact N-O 2.87Å; E93-F107 HydrophobicContact CB-CB 3.94Å; E93-F107 PolarHBondContact N-O 3.5Å; E93-F107 PolarHBondContact O-N 3.34Å; Y95-F107 HydrophobicContact CG-CE2 4.14Å; H105-F107 HydrophobicContact CB-CD2 4.2Å; H105-F107 HydrophobicContact CB-CE2 3.51Å; H105-F107 HydrophobicContact CB-CZ 4.37Å; F107-Y111 VanDerWaalsContact CD1-CA 3.42Å; F107-Y111 HydrophobicContact CD1-CD2 4.18Å; F107-Y111 HydrophobicContact CD2-CD2 4.44Å; F107-Y111 AromaticContact CE1-CD2 3.59Å; F107-Y111 HydrophobicContact CE1-CD2 3.59Å; F107-Y111 HydrophobicContact CE1-CG 4.03Å; F107-Y111 AromaticContact CE2-CD2 3.88Å; F107-Y111 HydrophobicContact CE2-CD2 3.88Å; F107-Y111 HydrophobicContact CE2-CE2 4.4Å; F107-Y111 AromaticContact CZ-CD2 3.42Å; F107-Y111 HydrophobicContact CZ-CD2 3.42Å; F107-Y111 VanDerWaalsContact CZ-CD2 3.42Å; F107-Y111 HydrophobicContact CZ-CE2 4.19Å; F107-Y111 HydrophobicContact CZ-CG 4.26Å
108	G	46.1	Very low	52.7	Low	21 Å²	21	65.4 Å²	65.4	22%	0.216	32%	0.315	C	S	.	.	S	Bend	trans	-125.9	-124.1	173.4	0	0	0	0	0	109.8	H90 S110 I112	H90-G108 WeakPolarHBondContact O-CA 3.21Å; G108-S110 PolarHBondContact N-O 3.1Å; G108-S110 PolarHBondContact O-N 2.9Å; G108-I112 VanDerWaalsContact N-CD1 3.27Å
109	W	28.4	Very low	52.5	Low	275 Å²	275	63.3 Å²	63.3	100%	1.042	31%	0.307	S	S	*	.	S	Bend	trans	-67	-23.4	167.5	-88.2	17	0	0	0	113.1
110	S	48.6	Very low	52.8	Low	85 Å²	85	64 Å²	64	59%	0.594	31%	0.306	S	S	*	.	S	Bend	trans	-142.3	177	173	59.7	0	0	0	0	109.5	G108 I112	G108-S110 PolarHBondContact N-O 3.1Å; G108-S110 PolarHBondContact O-N 2.9Å; S110-I112 PolarHBondContact O-N 2.77Å
111	Y	48.3	Very low	52.7	Low	85 Å²	85	63.3 Å²	63.3	33%	0.333	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-55.2	113	167.9	174.8	-116.7	0	0	0	109.6	H105 F107 N114	H105-Y111 HydrophobicContact CB-CE2 3.9Å; H105-Y111 AromaticContact CG-CE2 3.97Å; H105-Y111 AromaticContact ND1-CE2 3.31Å; H105-Y111 VanDerWaalsContact ND1-CE2 3.31Å; H105-Y111 WeakPolarHBondContact ND1-CE2 3.09Å; H105-Y111 AromaticContact ND1-CZ 3.67Å; H105-Y111 PolarHBondContact ND1-OH 2.83Å; F107-Y111 VanDerWaalsContact CD1-CA 3.42Å; F107-Y111 HydrophobicContact CD1-CD2 4.18Å; F107-Y111 HydrophobicContact CD2-CD2 4.44Å; F107-Y111 AromaticContact CE1-CD2 3.59Å; F107-Y111 HydrophobicContact CE1-CD2 3.59Å; F107-Y111 HydrophobicContact CE1-CG 4.03Å; F107-Y111 AromaticContact CE2-CD2 3.88Å; F107-Y111 HydrophobicContact CE2-CD2 3.88Å; F107-Y111 HydrophobicContact CE2-CE2 4.4Å; F107-Y111 AromaticContact CZ-CD2 3.42Å; F107-Y111 HydrophobicContact CZ-CD2 3.42Å; F107-Y111 VanDerWaalsContact CZ-CD2 3.42Å; F107-Y111 HydrophobicContact CZ-CE2 4.19Å; F107-Y111 HydrophobicContact CZ-CG 4.26Å; Y111-N114 VanDerWaalsContact OH-CG 3.24Å; Y111-N114 PolarHBondContact OH-ND2 3.06Å; Y111-N114 VanDerWaalsContact OH-ND2 3.15Å; Y111-N114 PolarHBondContact OH-OD1 2.85Å
112	I	55.9	Low	52.1	Low	12 Å²	12	65.9 Å²	65.9	6%	0.062	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82	-69.3	-177.8	-53.4	167.1	0	0	0	108.4	F86 A91 I106 G108 S110	F86-I112 HydrophobicContact CD1-CB 4.24Å; F86-I112 HydrophobicContact CD1-CG2 3.64Å; F86-I112 HydrophobicContact CE1-CG2 4.27Å; A91-I112 HydrophobicContact CB-CD1 3.97Å; I106-I112 HydrophobicContact CG2-CD1 4.23Å; I106-I112 WeakPolarHBondContact O-CA 3.36Å; I106-I112 WeakPolarHBondContact O-CB 3.34Å; I106-I112 PolarHBondContact O-N 2.93Å; G108-I112 VanDerWaalsContact N-CD1 3.27Å; S110-I112 PolarHBondContact O-N 2.77Å
113	R	65.2	Low	51.3	Low	59 Å²	59	66.5 Å²	66.5	22%	0.223	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-177.8	-142.6	168	-72.1	-46.3	133.2	154.6	11.8	111.6	F86 H105 I106 F147 Q149	F86-R113 HydrophobicContact CE1-CB 4.11Å; H105-R113 CarbonylContact C-O 3.54Å; H105-R113 WeakPolarHBondContact CA-O 3.24Å; I106-R113 PolarHBondContact N-O 3.5Å; I106-R113 PolarHBondContact O-N 2.83Å; R113-F147 HydrophobicContact CB-CD1 4.35Å; R113-F147 WeakPolarHBondContact CB-O 3.28Å; R113-F147 HydrophobicContact CG-CD1 4.45Å; R113-F147 HydrophobicContact CG-CE1 4.45Å; R113-Q149 HydrophobicContact CG-CB 3.98Å; R113-Q149 HydrophobicContact CG-CG 4.16Å; R113-Q149 VanDerWaalsContact NH1-NE2 3.1Å
114	N	62.8	Low	50.5	Low	13 Å²	13	74.1 Å²	74.1	7%	0.07	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	148.5	-162.2	-63	-25.9	0	0	0	112.7	I103 L104 H105 Y111 H116 F147	I103-N114 HydrophobicContact CG2-CB 3.82Å; L104-N114 CarbonylContact O-C 3.52Å; L104-N114 VanDerWaalsContact O-CA 3.23Å; L104-N114 WeakPolarHBondContact O-CA 3.15Å; H105-N114 PolarHBondContact CE1-OD1 3.06Å; H105-N114 PolarHBondContact ND1-OD1 3.47Å; Y111-N114 VanDerWaalsContact OH-CG 3.24Å; Y111-N114 PolarHBondContact OH-ND2 3.06Å; Y111-N114 VanDerWaalsContact OH-ND2 3.15Å; Y111-N114 PolarHBondContact OH-OD1 2.85Å; N114-H116 VanDerWaalsContact CB-CD2 3.48Å; N114-H116 WeakPolarHBondContact CB-CD2 3.28Å; N114-H116 WeakPolarHBondContact CB-NE2 3.38Å; N114-H116 PolarHBondContact ND2-NE2 2.85Å; N114-H116 VanDerWaalsContact ND2-NE2 3.16Å; N114-F147 HydrophobicContact CB-CB 4.42Å; N114-F147 HydrophobicContact CB-CD1 4.24Å; N114-F147 PolarHBondContact N-O 3.12Å; N114-F147 CarbonylContact O-C 3.56Å; N114-F147 WeakPolarHBondContact O-CA 3.41Å; N114-F147 PolarHBondContact O-N 2.83Å
115	I	60.3	Low	49.5	Very low	45 Å²	45	77.3 Å²	77.3	23%	0.231	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	125.1	152.7	-61.9	-179.5	0	0	0	105.7	F86 L104 I106 I146	F86-I115 HydrophobicContact CE2-CD1 4.39Å; F86-I115 HydrophobicContact CE2-CG1 4.13Å; F86-I115 HydrophobicContact CZ-CG1 4.43Å; L104-I115 HydrophobicContact CB-CB 4.11Å; L104-I115 WeakPolarHBondContact CB-O 3.44Å; L104-I115 HydrophobicContact CD2-CB 4.27Å; L104-I115 HydrophobicContact CD2-CD1 4.33Å; L104-I115 PolarHBondContact N-O 2.93Å; L104-I115 PolarHBondContact O-N 3.05Å; I106-I115 HydrophobicContact CD1-CD1 3.52Å; I106-I115 HydrophobicContact CD1-CG1 3.62Å; I115-I146 HydrophobicContact CD1-CG1 4.45Å; I115-I146 HydrophobicContact CG1-CG1 4.25Å
116	H	62.4	Low	48.5	Very low	23 Å²	23	83.3 Å²	83.3	11%	0.106	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	125.8	177.2	-60.2	156.1	0	0	0	108.8	N114 Y118 S144 E145 F147	N114-H116 VanDerWaalsContact CB-CD2 3.48Å; N114-H116 WeakPolarHBondContact CB-CD2 3.28Å; N114-H116 WeakPolarHBondContact CB-NE2 3.38Å; N114-H116 PolarHBondContact ND2-NE2 2.85Å; N114-H116 VanDerWaalsContact ND2-NE2 3.16Å; H116-Y118 HydrophobicContact CB-CD1 3.95Å; H116-Y118 HydrophobicContact CB-CE1 3.81Å; H116-S144 WeakPolarHBondContact O-CA 3.24Å; H116-E145 HydrophobicContact CB-CG 3.67Å; H116-E145 IonicContact CE1-OE1 2.82Å; H116-E145 IonicContact CG-OE1 2.62Å; H116-E145 PolarHBondContact N-O 2.72Å; H116-E145 IonicContact ND1-OE1 3.64Å; H116-E145 PolarHBondContact ND1-OE1 2.78Å; H116-E145 PolarHBondContact O-N 2.97Å; H116-F147 AromaticContact CE1-CG 3.97Å
117	N	60.7	Low	47.7	Very low	102 Å²	102	89.4 Å²	89.4	55%	0.545	43%	0.426	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	93.6	171.4	-167.8	-22.2	0	0	0	108.4	P102 K143	P102-N117 WeakPolarHBondContact CG-O 3.38Å; N117-K143 CarbonylContact C-O 3.54Å; N117-K143 WeakPolarHBondContact CA-O 3.47Å
118	Y	57.6	Low	47.3	Very low	33 Å²	33	90.3 Å²	90.3	13%	0.129	45%	0.452	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.1	166.6	-173.6	67.5	-95.9	0	0	0	112.7	Q101 H116 K120 K143	Q101-Y118 HydrophobicContact CB-CD1 4.02Å; Q101-Y118 HydrophobicContact CB-CD2 4.09Å; Q101-Y118 HydrophobicContact CB-CG 3.73Å; Q101-Y118 HydrophobicContact CG-CD1 4.43Å; Q101-Y118 HydrophobicContact CG-CD2 3.66Å; Q101-Y118 HydrophobicContact CG-CE2 4.1Å; Q101-Y118 HydrophobicContact CG-CG 3.86Å; H116-Y118 HydrophobicContact CB-CD1 3.95Å; H116-Y118 HydrophobicContact CB-CE1 3.81Å; Y118-K120 HydrophobicContact CE2-CG 4.05Å; Y118-K143 HydrophobicContact CE1-CB 4.43Å; Y118-K143 HydrophobicContact CE1-CD 4.07Å; Y118-K143 HydrophobicContact CE2-CB 4.23Å; Y118-K143 HydrophobicContact CE2-CD 4.42Å; Y118-K143 PolarHBondContact N-O 3.29Å; Y118-K143 PolarHBondContact O-N 3.34Å; Y118-K143 VanDerWaalsContact O-O 3.06Å; Y118-K143 VanDerWaalsContact OH-CD 3.28Å; Y118-K143 WeakPolarHBondContact OH-CD 3.35Å
119	I	53	Low	46.8	Very low	43 Å²	43	94.7 Å²	94.7	22%	0.221	47%	0.474	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	115.7	176.8	-49.5	-173.4	0	0	0	108.3	K121 Y122 I137 Q141 L142	I119-K121 PolarHBondContact O-N 2.91Å; I119-Y122 HydrophobicContact CB-CD2 4.17Å; I119-Y122 HydrophobicContact CD1-CD2 4.05Å; I119-Y122 HydrophobicContact CD1-CE2 4.37Å; I119-Y122 HydrophobicContact CG2-CD2 4.48Å; I119-Y122 PolarHBondContact O-N 3.37Å; I119-I137 HydrophobicContact CD1-CD1 3.76Å; I119-Q141 CarbonylContact C-O 3.57Å; I119-Q141 WeakPolarHBondContact CA-O 3.27Å; I119-L142 HydrophobicContact CB-CD2 4.26Å; I119-L142 HydrophobicContact CD1-CD2 3.92Å; I119-L142 HydrophobicContact CG1-CD2 3.59Å; I119-L142 HydrophobicContact CG2-CD2 4.14Å
120	K	56.2	Low	47.2	Very low	107 Å²	107	89.2 Å²	89.2	47%	0.465	46%	0.464	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.8	-35	-174.8	-71	-178.4	178.1	173.6	0	113.5	Y118 Q141 K143	Y118-K120 HydrophobicContact CE2-CG 4.05Å; K120-Q141 PolarHBondContact N-O 3.3Å; K120-K143 HydrophobicContact CG-CB 4.05Å
121	K	47.7	Very low	46.6	Very low	129 Å²	129	92.4 Å²	92.4	56%	0.561	48%	0.475	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.6	9.1	-173.4	-77.1	-172.8	178.2	175.5	0	115	I119 T123 K124 Q141	I119-K121 PolarHBondContact O-N 2.91Å; K121-T123 PolarHBondContact O-N 3.35Å; K121-T123 VanDerWaalsContact O-N 3.07Å; K121-K124 PolarHBondContact O-N 2.87Å; K121-K124 VanDerWaalsContact O-N 3.09Å; K121-Q141 HydrophobicContact CD-CG 4.27Å
122	Y	40.5	Very low	46	Very low	125 Å²	125	96.7 Å²	96.7	49%	0.49	50%	0.498	S	S	.	.	G	3₁₀ helix	trans	-57.9	-30	-174.7	-150.4	-94.2	0	0	0	113.2	I119 K124 I125	I119-Y122 HydrophobicContact CB-CD2 4.17Å; I119-Y122 HydrophobicContact CD1-CD2 4.05Å; I119-Y122 HydrophobicContact CD1-CE2 4.37Å; I119-Y122 HydrophobicContact CG2-CD2 4.48Å; I119-Y122 PolarHBondContact O-N 3.37Å; Y122-K124 PolarHBondContact O-N 2.7Å; Y122-I125 HydrophobicContact CD2-CD1 4.48Å; Y122-I125 PolarHBondContact O-N 2.96Å
123	T	34.6	Very low	45.4	Very low	95 Å²	95	101.5 Å²	101.5	58%	0.583	53%	0.528	S	S	*	.	G	3₁₀ helix	trans	-61.9	-12.9	178.1	41.3	0	0	0	0	115.3	K121	K121-T123 PolarHBondContact O-N 3.35Å; K121-T123 VanDerWaalsContact O-N 3.07Å
124	K	34.6	Very low	44.2	Very low	185 Å²	185	102 Å²	102	80%	0.804	54%	0.538	S	S	*	.	G	3₁₀ helix	trans	-97.8	-2.4	179.1	-142.4	179.4	-178.1	-176.9	0	114.6	K121 Y122 E126	K121-K124 PolarHBondContact O-N 2.87Å; K121-K124 VanDerWaalsContact O-N 3.09Å; Y122-K124 PolarHBondContact O-N 2.7Å; K124-E126 VanDerWaalsContact C-N 3.33Å
125	I	32.1	Very low	43.6	Very low	102 Å²	102	111.6 Å²	111.6	52%	0.523	58%	0.579	S	S	.	*	S	Bend	trans	-86.4	-8	-179.8	-56.5	176.8	0	0	0	111.5	Y122 T127	Y122-I125 HydrophobicContact CD2-CD1 4.48Å; Y122-I125 PolarHBondContact O-N 2.96Å; I125-T127 PolarHBondContact O-N 2.95Å
126	E	30.5	Very low	43.3	Very low	152 Å²	152	117.9 Å²	117.9	71%	0.71	61%	0.608	S	S	*	*			trans	-73.5	15.5	-175.6	-110	177.9	-174.3	0	0	116.4	K124	K124-E126 VanDerWaalsContact C-N 3.33Å
127	T	32.9	Very low	43.1	Very low	129 Å²	129	119.9 Å²	119.9	79%	0.791	62%	0.618	S	S	*	*	S	Bend	trans	-130.9	91.2	175.6	62.7	0	0	0	0	112.1	I125	I125-T127 PolarHBondContact O-N 2.95Å
128	G	36.1	Very low	43.2	Very low	76 Å²	76	121 Å²	121	78%	0.784	62%	0.621	S	S	*	*	S	Bend	trans	127.1	-36.8	136.3	0	0	0	0	0	119.1
129	V	35.3	Very low	43.2	Very low	114 Å²	114	120.1 Å²	120.1	69%	0.691	62%	0.622	S	S	*	*			trans	-150.7	105.5	-173.9	-173.1	0	0	0	0	109.9	D131	V129-D131 HydrophobicContact CG1-CB 4.13Å; V129-D131 PolarHBondContact O-N 2.77Å
130	L	35.9	Very low	43.7	Very low	160 Å²	160	120.8 Å²	120.8	84%	0.838	63%	0.63	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.6	14.2	-178.4	-116	153.9	0	0	0	113.8
131	D	36.3	Very low	44.2	Very low	151 Å²	151	118.1 Å²	118.1	81%	0.807	62%	0.619	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.9	-9.5	-177.2	-74.7	-23.9	0	0	0	114.4	V129	V129-D131 HydrophobicContact CG1-CB 4.13Å; V129-D131 PolarHBondContact O-N 2.77Å
132	E	35.4	Very low	45.2	Very low	176 Å²	176	113.9 Å²	113.9	82%	0.822	60%	0.602	S	S	*	*			trans	-115.7	71	176.4	-67	-170.9	179	0	0	111.2	P134	E132-P134 VanDerWaalsContact O-CD 3.31Å; E132-P134 WeakPolarHBondContact O-CD 3.31Å
133	V	43.2	Very low	46.6	Very low	113 Å²	113	109.9 Å²	109.9	69%	0.685	59%	0.587	S	S	*	*			trans	-60.9	119.4	157.5	179.9	0	0	0	0	106.5	K135	V133-K135 PolarHBondContact O-N 3.13Å; V133-K135 VanDerWaalsContact O-N 3.09Å
134	P	39.6	Very low	48.6	Very low	68 Å²	68	106.4 Å²	106.4	44%	0.442	57%	0.567	S	S	.	*			trans	-57.2	121.7	-179.2	-21.5	31.1	0	0	0	109.4	E132 E136 I137	E132-P134 VanDerWaalsContact O-CD 3.31Å; E132-P134 WeakPolarHBondContact O-CD 3.31Å; P134-E136 PolarHBondContact O-N 2.62Å; P134-I137 HydrophobicContact CB-CG1 4.42Å
135	K	51.8	Low	50.7	Low	215 Å²	215	97.7 Å²	97.7	94%	0.935	53%	0.529	S	S	*	.	S	Bend	trans	-54.3	-28.1	179.1	-82.1	-178.4	176.7	175.7	0	112.4	V133	V133-K135 PolarHBondContact O-N 3.13Å; V133-K135 VanDerWaalsContact O-N 3.09Å
136	E	53.7	Low	52.9	Low	177 Å²	177	93.1 Å²	93.1	83%	0.827	51%	0.506	S	S	*	.	S	Bend	trans	-139.8	119.1	172.1	-66.5	-172.3	158.7	0	0	109.7	P134	P134-E136 PolarHBondContact O-N 2.62Å
137	I	57.4	Low	55.2	Low	65 Å²	65	87 Å²	87	33%	0.333	48%	0.477	S	S	.	.			trans	-83.6	120.6	170.2	-57.4	179.1	0	0	0	107.1	I119 P134 G139 Q141 L142	I119-I137 HydrophobicContact CD1-CD1 3.76Å; P134-I137 HydrophobicContact CB-CG1 4.42Å; I137-G139 PolarHBondContact O-N 3.19Å; I137-Q141 HydrophobicContact CG2-CB 3.97Å; I137-L142 HydrophobicContact CB-CD2 4.41Å; I137-L142 HydrophobicContact CG2-CD2 3.72Å; I137-L142 HydrophobicContact CG2-CG 3.98Å
138	E	63.5	Low	57.2	Low	126 Å²	126	80.8 Å²	80.8	59%	0.589	44%	0.439	S	S	*	.			trans	-58.5	130	176.7	-162.9	-165.6	145.4	0	0	110	S140 Q141	E138-S140 WeakPolarHBondContact CG-OG 3.35Å; E138-S140 PolarHBondContact O-N 3.14Å; E138-S140 PolarHBondContact OE1-OG 3.44Å; E138-S140 PolarHBondContact OE2-OG 3.12Å; E138-Q141 HydrophobicContact CB-CG 4.4Å; E138-Q141 WeakPolarHBondContact O-CB 3.4Å; E138-Q141 PolarHBondContact O-N 3.02Å
139	G	57	Low	58.8	Low	15 Å²	15	78.8 Å²	78.8	16%	0.155	41%	0.409	C	S	.	.	G	3₁₀ helix	trans	-56.4	-22.8	-175.7	0	0	0	0	0	114.2	I137 Q141 L142	I137-G139 PolarHBondContact O-N 3.19Å; G139-Q141 PolarHBondContact O-N 3.08Å; G139-L142 PolarHBondContact O-N 3.39Å; G139-L142 VanDerWaalsContact O-N 3.12Å
140	S	63.9	Low	60.5	Low	56 Å²	56	74 Å²	74	39%	0.392	38%	0.379	S	S	.	.	G	3₁₀ helix	trans	-63.7	-23.3	173.6	63.1	0	0	0	0	113.7	E138	E138-S140 WeakPolarHBondContact CG-OG 3.35Å; E138-S140 PolarHBondContact O-N 3.14Å; E138-S140 PolarHBondContact OE1-OG 3.44Å; E138-S140 PolarHBondContact OE2-OG 3.12Å
141	Q	66.9	Low	62.1	Low	51 Å²	51	70.5 Å²	70.5	24%	0.238	37%	0.368	C	S	.	.	G	3₁₀ helix	trans	-87.3	-14.8	176.3	-54.4	-172.2	4.2	0	0	112.6	I119 K120 K121 I137 E138 G139	I119-Q141 CarbonylContact C-O 3.57Å; I119-Q141 WeakPolarHBondContact CA-O 3.27Å; K120-Q141 PolarHBondContact N-O 3.3Å; K121-Q141 HydrophobicContact CD-CG 4.27Å; I137-Q141 HydrophobicContact CG2-CB 3.97Å; E138-Q141 HydrophobicContact CB-CG 4.4Å; E138-Q141 WeakPolarHBondContact O-CB 3.4Å; E138-Q141 PolarHBondContact O-N 3.02Å; G139-Q141 PolarHBondContact O-N 3.08Å
142	L	67.7	Low	63.6	Low	40 Å²	40	64.1 Å²	64.1	21%	0.209	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	135.3	178.5	-56.3	177.1	0	0	0	109.2	I119 I137 G139 I168	I119-L142 HydrophobicContact CB-CD2 4.26Å; I119-L142 HydrophobicContact CD1-CD2 3.92Å; I119-L142 HydrophobicContact CG1-CD2 3.59Å; I119-L142 HydrophobicContact CG2-CD2 4.14Å; I137-L142 HydrophobicContact CB-CD2 4.41Å; I137-L142 HydrophobicContact CG2-CD2 3.72Å; I137-L142 HydrophobicContact CG2-CG 3.98Å; G139-L142 PolarHBondContact O-N 3.39Å; G139-L142 VanDerWaalsContact O-N 3.12Å; L142-I168 HydrophobicContact CB-CB 4.4Å; L142-I168 HydrophobicContact CB-CD1 4.32Å; L142-I168 HydrophobicContact CB-CG2 3.66Å; L142-I168 HydrophobicContact CD1-CG2 3.6Å; L142-I168 HydrophobicContact CG-CG2 4.27Å
143	K	69.7	Low	65.5	Low	41 Å²	41	61.7 Å²	61.7	18%	0.178	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	122.1	171.7	-155.8	-174.4	-163.7	-153.4	0	108.4	N117 Y118 K120 E145 E160	N117-K143 CarbonylContact C-O 3.54Å; N117-K143 WeakPolarHBondContact CA-O 3.47Å; Y118-K143 HydrophobicContact CE1-CB 4.43Å; Y118-K143 HydrophobicContact CE1-CD 4.07Å; Y118-K143 HydrophobicContact CE2-CB 4.23Å; Y118-K143 HydrophobicContact CE2-CD 4.42Å; Y118-K143 PolarHBondContact N-O 3.29Å; Y118-K143 PolarHBondContact O-N 3.34Å; Y118-K143 VanDerWaalsContact O-O 3.06Å; Y118-K143 VanDerWaalsContact OH-CD 3.28Å; Y118-K143 WeakPolarHBondContact OH-CD 3.35Å; K120-K143 HydrophobicContact CG-CB 4.05Å; K143-E145 WeakPolarHBondContact CE-OE1 3.19Å; K143-E145 WeakPolarHBondContact CE-OE2 3.24Å; K143-E145 IonicContact NZ-OE1 3.54Å; K143-E145 PolarHBondContact NZ-OE1 2.99Å; K143-E145 IonicContact NZ-OE2 2.76Å; K143-E145 PolarHBondContact NZ-OE2 3.23Å; K143-E160 IonicContact NZ-OE2 3.89Å
144	S	76.7	Confident	66.8	Low	22 Å²	22	59.4 Å²	59.4	15%	0.154	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	125	168	-176.4	0	0	0	0	107.5	H116 V163	H116-S144 WeakPolarHBondContact O-CA 3.24Å; S144-V163 WeakPolarHBondContact O-CB 3.43Å; S144-V163 WeakPolarHBondContact O-CG2 3.27Å; S144-V163 PolarHBondContact O-N 2.99Å
145	E	78.9	Confident	68.4	Low	3 Å²	3	60.9 Å²	60.9	1%	0.014	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.2	153.8	-178	63.2	-174.3	178.5	0	0	111.8	H116 K143 I161 P162	H116-E145 HydrophobicContact CB-CG 3.67Å; H116-E145 IonicContact CE1-OE1 2.82Å; H116-E145 IonicContact CG-OE1 2.62Å; H116-E145 PolarHBondContact N-O 2.72Å; H116-E145 IonicContact ND1-OE1 3.64Å; H116-E145 PolarHBondContact ND1-OE1 2.78Å; H116-E145 PolarHBondContact O-N 2.97Å; K143-E145 WeakPolarHBondContact CE-OE1 3.19Å; K143-E145 WeakPolarHBondContact CE-OE2 3.24Å; K143-E145 IonicContact NZ-OE1 3.54Å; K143-E145 PolarHBondContact NZ-OE1 2.99Å; K143-E145 IonicContact NZ-OE2 2.76Å; K143-E145 PolarHBondContact NZ-OE2 3.23Å; E145-I161 WeakPolarHBondContact CA-O 3.33Å; E145-I161 WeakPolarHBondContact CB-O 3.46Å; E145-P162 HydrophobicContact CB-CB 4.47Å
146	I	79.5	Confident	69.5	Low	5 Å²	5	56.2 Å²	56.2	3%	0.026	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	129.1	161.4	-67.9	-171.8	0	0	0	108	Y51 F86 Y87 I115 I161 F176	Y51-I146 HydrophobicContact CE2-CG2 4.41Å; F86-I146 HydrophobicContact CE2-CG2 3.7Å; F86-I146 HydrophobicContact CZ-CG2 3.91Å; Y87-I146 HydrophobicContact CE2-CG2 3.62Å; I115-I146 HydrophobicContact CD1-CG1 4.45Å; I115-I146 HydrophobicContact CG1-CG1 4.25Å; I146-I161 HydrophobicContact CB-CB 4.28Å; I146-I161 PolarHBondContact N-O 2.79Å; I146-I161 PolarHBondContact O-N 2.84Å; I146-F176 HydrophobicContact CD1-CB 3.59Å; I146-F176 HydrophobicContact CD1-CD1 3.59Å; I146-F176 HydrophobicContact CD1-CD2 3.43Å; I146-F176 VanDerWaalsContact CD1-CD2 3.43Å; I146-F176 HydrophobicContact CD1-CE1 4.06Å; I146-F176 HydrophobicContact CD1-CE2 3.91Å; I146-F176 HydrophobicContact CD1-CG 3.23Å; I146-F176 HydrophobicContact CD1-CZ 4.2Å; I146-F176 HydrophobicContact CG1-CD1 4.32Å; I146-F176 HydrophobicContact CG1-CD2 3.97Å; I146-F176 HydrophobicContact CG1-CE1 4.3Å; I146-F176 HydrophobicContact CG1-CE2 3.93Å; I146-F176 HydrophobicContact CG1-CG 4.15Å; I146-F176 HydrophobicContact CG1-CZ 4.1Å
147	F	77	Confident	70.5	Confident	23 Å²	23	49.4 Å²	49.4	10%	0.101	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	120.7	176.2	175.6	-101.3	0	0	0	110.5	R113 N114 H116 E158 D159 E160	R113-F147 HydrophobicContact CB-CD1 4.35Å; R113-F147 WeakPolarHBondContact CB-O 3.28Å; R113-F147 HydrophobicContact CG-CD1 4.45Å; R113-F147 HydrophobicContact CG-CE1 4.45Å; N114-F147 HydrophobicContact CB-CB 4.42Å; N114-F147 HydrophobicContact CB-CD1 4.24Å; N114-F147 PolarHBondContact N-O 3.12Å; N114-F147 CarbonylContact O-C 3.56Å; N114-F147 WeakPolarHBondContact O-CA 3.41Å; N114-F147 PolarHBondContact O-N 2.83Å; H116-F147 AromaticContact CE1-CG 3.97Å; F147-E158 HydrophobicContact CE2-CB 4.11Å; F147-E158 HydrophobicContact CE2-CG 4.11Å; F147-E158 HydrophobicContact CZ-CB 4.39Å; F147-E158 HydrophobicContact CZ-CG 3.88Å; F147-D159 WeakPolarHBondContact CA-O 3.45Å; F147-E160 HydrophobicContact CD2-CG 3.61Å; F147-E160 HydrophobicContact CE2-CG 4.16Å
148	G	75.6	Confident	71.4	Confident	0 Å²	0	52.1 Å²	52.1	0%	0	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	165.8	-179	0	0	0	0	0	113.8	Y87 E158 D159	Y87-G148 VanDerWaalsContact CZ-CA 3.43Å; G148-E158 WeakPolarHBondContact O-CA 2.89Å; G148-D159 PolarHBondContact N-O 3.14Å; G148-D159 PolarHBondContact O-N 3.01Å
149	Q	70.5	Confident	72.2	Confident	34 Å²	34	46.9 Å²	46.9	16%	0.159	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133	140.5	164.7	-74.3	-173.9	12.2	0	0	108.4	R113 I156 T157 E158	R113-Q149 HydrophobicContact CG-CB 3.98Å; R113-Q149 HydrophobicContact CG-CG 4.16Å; R113-Q149 VanDerWaalsContact NH1-NE2 3.1Å; Q149-I156 HydrophobicContact CB-CG2 4.09Å; Q149-I156 HydrophobicContact CG-CG2 4.21Å; Q149-T157 WeakPolarHBondContact CA-O 3.43Å; Q149-E158 HydrophobicContact CG-CB 4.42Å; Q149-E158 HydrophobicContact CG-CG 3.51Å; Q149-E158 PolarHBondContact NE2-OE1 3.35Å
150	F	71	Confident	73.3	Confident	14 Å²	14	50.8 Å²	50.8	6%	0.061	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	160.2	174.9	60.6	-86.5	0	0	0	109.9	I29 Y49 Y50 Y87 C152 T157 D159	I29-F150 HydrophobicContact CD1-CE2 3.4Å; I29-F150 HydrophobicContact CD1-CZ 3.49Å; I29-F150 VanDerWaalsContact CD1-CZ 3.49Å; I29-F150 HydrophobicContact CG2-CZ 4.15Å; Y49-F150 HydrophobicContact CD1-CE1 4.33Å; Y49-F150 HydrophobicContact CD1-CE2 4.34Å; Y49-F150 HydrophobicContact CD1-CZ 4.05Å; Y49-F150 HydrophobicContact CE1-CD2 4.18Å; Y49-F150 HydrophobicContact CE1-CE1 4.48Å; Y49-F150 AromaticContact CE1-CE2 3.77Å; Y49-F150 HydrophobicContact CE1-CE2 3.77Å; Y49-F150 AromaticContact CE1-CZ 3.96Å; Y49-F150 HydrophobicContact CE1-CZ 3.96Å; Y50-F150 HydrophobicContact CD2-CD1 4.28Å; Y50-F150 HydrophobicContact CE2-CB 3.91Å; Y50-F150 AromaticContact CE2-CD1 3.68Å; Y50-F150 HydrophobicContact CE2-CD1 3.68Å; Y50-F150 HydrophobicContact CE2-CD2 4.03Å; Y50-F150 HydrophobicContact CE2-CE1 4.15Å; Y50-F150 AromaticContact CE2-CG 3.6Å; Y50-F150 HydrophobicContact CE2-CG 3.6Å; Y87-F150 HydrophobicContact CD1-CB 4.44Å; Y87-F150 AromaticContact CD1-CD1 3.74Å; Y87-F150 HydrophobicContact CD1-CD1 3.74Å; Y87-F150 HydrophobicContact CD1-CG 4.5Å; Y87-F150 AromaticContact CE1-CD1 3.96Å; Y87-F150 HydrophobicContact CE1-CD1 3.96Å; Y87-F150 HydrophobicContact CE1-CE1 4.32Å; F150-C152 HydrophobicContact CD2-CB 4.28Å; F150-C152 HydrophobicContact CE2-CB 3.93Å; F150-T157 HydrophobicContact CE1-CG2 4.34Å; F150-T157 HydrophobicContact CE2-CG2 4.4Å; F150-T157 HydrophobicContact CZ-CG2 3.88Å; F150-T157 PolarHBondContact N-O 2.74Å; F150-T157 PolarHBondContact O-N 3.31Å; F150-D159 HydrophobicContact CD1-CB 4.43Å; F150-D159 HydrophobicContact CE1-CB 3.74Å
151	S	68.8	Low	74.3	Confident	85 Å²	85	48.1 Å²	48.1	59%	0.594	27%	0.266	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-87	123.3	177.4	-176.4	0	0	0	0	110.2
152	C	68.2	Low	75.2	Confident	17 Å²	17	48.6 Å²	48.6	12%	0.115	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	108.6	177.4	172.1	0	0	0	0	109.1	C26 F150 G154 V155 T157	C26-C152 HydrophobicContact CB-CB 4.36Å; C26-C152 WeakPolarHBondContact CB-SG 3.43Å; C26-C152 WeakPolarHBondContact SG-CA 3.33Å; C26-C152 WeakPolarHBondContact SG-CB 3.31Å; C26-C152 CovalentContact SG-SG 2.01Å; C26-C152 PolarHBondContact SG-SG 2.85Å; F150-C152 HydrophobicContact CD2-CB 4.28Å; F150-C152 HydrophobicContact CE2-CB 3.93Å; C152-G154 PolarHBondContact O-N 2.73Å; C152-G154 VanDerWaalsContact O-N 3.12Å; C152-V155 PolarHBondContact N-O 2.87Å; C152-V155 WeakPolarHBondContact O-CB 3.23Å; C152-V155 PolarHBondContact O-N 3.17Å; C152-T157 VanDerWaalsContact CB-OG1 3.31Å; C152-T157 WeakPolarHBondContact CB-OG1 3.32Å
153	K	74.3	Confident	76	Confident	125 Å²	125	47.1 Å²	47.1	54%	0.543	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	51.9	33	-174.6	-62.5	173.6	177.1	170.2	0	113.4	C26 N27 V155	C26-K153 HydrophobicContact CB-CD 4.27Å; C26-K153 HydrophobicContact CB-CG 4.29Å; N27-K153 PolarHBondContact OD1-NZ 3.09Å; K153-V155 VanDerWaalsContact C-N 3.29Å
154	G	71.3	Confident	76.9	Confident	65 Å²	65	46.6 Å²	46.6	67%	0.67	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	85.9	-6.1	-178.3	0	0	0	0	0	114.6	C152	C152-G154 PolarHBondContact O-N 2.73Å; C152-G154 VanDerWaalsContact O-N 3.12Å
155	V	73.7	Confident	77.2	Confident	99 Å²	99	47.6 Å²	47.6	60%	0.6	28%	0.276	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-95	127.5	173.7	-175.7	0	0	0	0	108.8	C152 K153 T157	C152-V155 PolarHBondContact N-O 2.87Å; C152-V155 WeakPolarHBondContact O-CB 3.23Å; C152-V155 PolarHBondContact O-N 3.17Å; K153-V155 VanDerWaalsContact C-N 3.29Å; V155-T157 PolarHBondContact O-N 2.8Å; V155-T157 PolarHBondContact O-OG1 3.45Å
156	I	74.4	Confident	77.6	Confident	117 Å²	117	53.1 Å²	53.1	60%	0.6	30%	0.3	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-67	120.3	171.7	-61	176.4	0	0	0	107.8	Q149	Q149-I156 HydrophobicContact CB-CG2 4.09Å; Q149-I156 HydrophobicContact CG-CG2 4.21Å
157	T	74	Confident	77.8	Confident	35 Å²	35	53.2 Å²	53.2	22%	0.215	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	133.2	178.9	-55.2	0	0	0	0	108.9	Q149 F150 C152 V155	Q149-T157 WeakPolarHBondContact CA-O 3.43Å; F150-T157 HydrophobicContact CE1-CG2 4.34Å; F150-T157 HydrophobicContact CE2-CG2 4.4Å; F150-T157 HydrophobicContact CZ-CG2 3.88Å; F150-T157 PolarHBondContact N-O 2.74Å; F150-T157 PolarHBondContact O-N 3.31Å; C152-T157 VanDerWaalsContact CB-OG1 3.31Å; C152-T157 WeakPolarHBondContact CB-OG1 3.32Å; V155-T157 PolarHBondContact O-N 2.8Å; V155-T157 PolarHBondContact O-OG1 3.45Å
158	E	77.8	Confident	77.9	Confident	122 Å²	122	53.5 Å²	53.5	57%	0.57	30%	0.303	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-88.4	142.3	171.4	-75.4	176.6	166.5	0	0	110	F147 G148 Q149	F147-E158 HydrophobicContact CE2-CB 4.11Å; F147-E158 HydrophobicContact CE2-CG 4.11Å; F147-E158 HydrophobicContact CZ-CB 4.39Å; F147-E158 HydrophobicContact CZ-CG 3.88Å; G148-E158 WeakPolarHBondContact O-CA 2.89Å; Q149-E158 HydrophobicContact CG-CB 4.42Å; Q149-E158 HydrophobicContact CG-CG 3.51Å; Q149-E158 PolarHBondContact NE2-OE1 3.35Å
159	D	79.2	Confident	78	Confident	15 Å²	15	59.4 Å²	59.4	8%	0.08	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135	131.3	175.8	-178.8	32.9	0	0	0	110.2	Y87 F147 G148 F150	Y87-D159 HydrophobicContact CE1-CB 3.82Å; Y87-D159 WeakPolarHBondContact CE1-OD2 3.41Å; Y87-D159 PolarHBondContact OH-O 3.43Å; Y87-D159 PolarHBondContact OH-OD2 3.29Å; Y87-D159 VanDerWaalsContact OH-OD2 3.08Å; F147-D159 WeakPolarHBondContact CA-O 3.45Å; G148-D159 PolarHBondContact N-O 3.14Å; G148-D159 PolarHBondContact O-N 3.01Å; F150-D159 HydrophobicContact CD1-CB 4.43Å; F150-D159 HydrophobicContact CE1-CB 3.74Å
160	E	81.3	Confident	78.1	Confident	97 Å²	97	62.4 Å²	62.4	45%	0.453	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	118.5	-178	-80.4	-177.1	-150.9	0	0	107.7	K143 F147 P162	K143-E160 IonicContact NZ-OE2 3.89Å; F147-E160 HydrophobicContact CD2-CG 3.61Å; F147-E160 HydrophobicContact CE2-CG 4.16Å; E160-P162 VanDerWaalsContact C-CD 3.49Å; E160-P162 WeakPolarHBondContact O-CD 3.3Å
161	I	83.9	Confident	78.3	Confident	0 Å²	0	62.7 Å²	62.7	0%	0	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	87.5	175.9	-56.2	173.8	0	0	0	107.8	H48 Y51 E145 I146 F176	H48-I161 HydrophobicContact CB-CD1 3.75Å; H48-I161 HydrophobicContact CB-CG1 4.19Å; Y51-I161 HydrophobicContact CD2-CD1 3.55Å; Y51-I161 HydrophobicContact CE2-CD1 4.39Å; Y51-I161 HydrophobicContact CG-CD1 4.22Å; E145-I161 WeakPolarHBondContact CA-O 3.33Å; E145-I161 WeakPolarHBondContact CB-O 3.46Å; I146-I161 HydrophobicContact CB-CB 4.28Å; I146-I161 PolarHBondContact N-O 2.79Å; I146-I161 PolarHBondContact O-N 2.84Å; I161-F176 HydrophobicContact CG2-CD1 4.45Å; I161-F176 HydrophobicContact CG2-CE1 3.63Å; I161-F176 HydrophobicContact CG2-CZ 4.41Å
162	P	85.7	Confident	78.9	Confident	62 Å²	62	60.2 Å²	60.2	40%	0.403	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	138.6	-179.4	31.6	-35.2	0	0	0	111.5	E145 E160 P164	E145-P162 HydrophobicContact CB-CB 4.47Å; E160-P162 VanDerWaalsContact C-CD 3.49Å; E160-P162 WeakPolarHBondContact O-CD 3.3Å; P162-P164 WeakPolarHBondContact O-CD 3.37Å
163	V	84.6	Confident	79.6	Confident	8 Å²	8	62 Å²	62	5%	0.048	35%	0.349	C	S	.	.	P	Polyproline II helix	trans	-71.2	124.2	162.1	-177.6	0	0	0	0	107.6	M53 I55 S144 A165 W167 I168 V174 F176	M53-V163 HydrophobicContact SD-CG2 4.4Å; I55-V163 HydrophobicContact CD1-CG1 4.12Å; S144-V163 WeakPolarHBondContact O-CB 3.43Å; S144-V163 WeakPolarHBondContact O-CG2 3.27Å; S144-V163 PolarHBondContact O-N 2.99Å; V163-A165 PolarHBondContact O-N 3.44Å; V163-W167 HydrophobicContact CG1-CB 4.31Å; V163-I168 HydrophobicContact CB-CD1 4.32Å; V163-I168 HydrophobicContact CB-CG1 4.18Å; V163-I168 HydrophobicContact CG1-CD1 4.43Å; V163-I168 HydrophobicContact CG1-CG1 3.75Å; V163-V174 HydrophobicContact CG1-CG2 3.88Å; V163-V174 HydrophobicContact CG2-CB 4.49Å; V163-V174 HydrophobicContact CG2-CG1 3.84Å; V163-V174 HydrophobicContact CG2-CG2 4.15Å; V163-F176 HydrophobicContact CG2-CZ 4.11Å
164	P	88	Confident	80	Confident	30 Å²	30	58.1 Å²	58.1	20%	0.195	34%	0.336	C	S	.	.	P	Polyproline II helix	trans	-64.4	133.5	-178.1	-13.7	23.9	0	0	0	110.7	P162 K166 W167	P162-P164 WeakPolarHBondContact O-CD 3.37Å; P164-K166 PolarHBondContact O-N 2.83Å; P164-W167 WeakPolarHBondContact O-CB 3.46Å; P164-W167 PolarHBondContact O-N 3.26Å
165	A	84.3	Confident	80.6	Confident	43 Å²	43	55.7 Å²	55.7	36%	0.355	31%	0.308	S	S	.	.	G	3₁₀ helix	trans	-52.5	-33.5	-171.1	0	0	0	0	0	114.3	V163 W167 I168	V163-A165 PolarHBondContact O-N 3.44Å; A165-W167 PolarHBondContact O-N 2.83Å; A165-W167 VanDerWaalsContact O-N 3.17Å; A165-I168 PolarHBondContact O-N 3.2Å; A165-I168 VanDerWaalsContact O-N 3.12Å
166	K	86.5	Confident	81.1	Confident	119 Å²	119	53 Å²	53	52%	0.517	29%	0.288	S	S	.	.	G	3₁₀ helix	trans	-60.8	-24.5	177.9	71.8	176.5	-174.1	175.6	0	113.9	E39 P164 K169	E39-K166 WeakPolarHBondContact OE1-CE 3.28Å; E39-K166 IonicContact OE1-NZ 2.74Å; E39-K166 PolarHBondContact OE1-NZ 2.98Å; E39-K166 IonicContact OE2-NZ 3.38Å; P164-K166 PolarHBondContact O-N 2.83Å; K166-K169 WeakPolarHBondContact O-CE 3.48Å
167	W	84.5	Confident	81.5	Confident	7 Å²	7	49.1 Å²	49.1	3%	0.027	27%	0.267	C	S	.	.	G	3₁₀ helix	trans	-90.7	-19.8	179	-66.9	104.5	0	0	0	113	E39 N40 R44 I55 R57 V163 P164 A165 K169 T172	E39-W167 HydrophobicContact CG-CZ2 4.11Å; E39-W167 PolarHBondContact OE1-NE1 2.79Å; N40-W167 WeakPolarHBondContact O-CH2 3.4Å; N40-W167 WeakPolarHBondContact O-CZ2 3.31Å; R44-W167 HydrophobicContact CB-CH2 4.15Å; R44-W167 HydrophobicContact CB-CZ2 3.67Å; I55-W167 HydrophobicContact CB-CD2 4.32Å; I55-W167 HydrophobicContact CB-CE3 4.22Å; I55-W167 HydrophobicContact CD1-CB 4.02Å; I55-W167 HydrophobicContact CD1-CD2 4.31Å; I55-W167 HydrophobicContact CD1-CG 3.81Å; I55-W167 HydrophobicContact CG2-CB 3.92Å; I55-W167 HydrophobicContact CG2-CD2 3.69Å; I55-W167 HydrophobicContact CG2-CE3 3.38Å; I55-W167 HydrophobicContact CG2-CG 3.91Å; I55-W167 HydrophobicContact CG2-CZ3 4.12Å; R57-W167 HydrophobicContact CG-CE3 3.72Å; R57-W167 HydrophobicContact CG-CZ3 3.42Å; R57-W167 VanDerWaalsContact CG-CZ3 3.42Å; V163-W167 HydrophobicContact CG1-CB 4.31Å; P164-W167 WeakPolarHBondContact O-CB 3.46Å; P164-W167 PolarHBondContact O-N 3.26Å; A165-W167 PolarHBondContact O-N 2.83Å; A165-W167 VanDerWaalsContact O-N 3.17Å; W167-K169 VanDerWaalsContact C-N 3.29Å; W167-K169 PolarHBondContact O-N 3.37Å; W167-T172 HydrophobicContact CB-CG2 4.49Å; W167-T172 VanDerWaalsContact O-CB 3.24Å; W167-T172 WeakPolarHBondContact O-CB 3.41Å; W167-T172 VanDerWaalsContact O-CG2 3.24Å; W167-T172 WeakPolarHBondContact O-CG2 3.49Å; W167-T172 PolarHBondContact O-OG1 3.34Å
168	I	77.4	Confident	81.8	Confident	30 Å²	30	49.4 Å²	49.4	15%	0.154	27%	0.273	C	S	.	.			trans	-76.7	83.2	-178.6	-48.8	178	0	0	0	109.5	L142 V163 A165	L142-I168 HydrophobicContact CB-CB 4.4Å; L142-I168 HydrophobicContact CB-CD1 4.32Å; L142-I168 HydrophobicContact CB-CG2 3.66Å; L142-I168 HydrophobicContact CD1-CG2 3.6Å; L142-I168 HydrophobicContact CG-CG2 4.27Å; V163-I168 HydrophobicContact CB-CD1 4.32Å; V163-I168 HydrophobicContact CB-CG1 4.18Å; V163-I168 HydrophobicContact CG1-CD1 4.43Å; V163-I168 HydrophobicContact CG1-CG1 3.75Å; A165-I168 PolarHBondContact O-N 3.2Å; A165-I168 VanDerWaalsContact O-N 3.12Å
169	K	77.8	Confident	82	Confident	123 Å²	123	44.3 Å²	44.3	54%	0.535	25%	0.249	S	C	.	.	S	Bend	trans	-145.6	160	-175.1	-69.6	179.4	-178.4	176.8	0	108.9	K166 W167 T172	K166-K169 WeakPolarHBondContact O-CE 3.48Å; W167-K169 VanDerWaalsContact C-N 3.29Å; W167-K169 PolarHBondContact O-N 3.37Å; K169-T172 WeakPolarHBondContact O-CB 3.49Å; K169-T172 PolarHBondContact O-N 3.09Å; K169-T172 PolarHBondContact O-OG1 3.26Å; K169-T172 VanDerWaalsContact O-OG1 3.14Å
170	S	73.6	Confident	82.1	Confident	97 Å²	97	44.5 Å²	44.5	68%	0.678	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.3	146.2	172.9	-178.1	0	0	0	0	111.3	R57 T172	R57-S170 PolarHBondContact NH1-O 2.02Å; S170-T172 VanDerWaalsContact C-N 3.27Å; S170-T172 PolarHBondContact O-N 3.08Å
171	G	75.9	Confident	81.8	Confident	20 Å²	20	44.8 Å²	44.8	21%	0.206	26%	0.256	C	S	.	.	T	Hydrogen-bonded Turn	trans	71.6	14.4	-175	0	0	0	0	0	114.7	R57 Y58 Q59	R57-G171 CarbonylContact C-O 3.54Å; Y58-G171 PolarHBondContact N-O 3.33Å; Q59-G171 PolarHBondContact N-O 2.76Å
172	T	79.8	Confident	81.8	Confident	33 Å²	33	49.1 Å²	49.1	20%	0.202	28%	0.278	C	S	.	.			trans	-96.5	125.5	172.7	-57	0	0	0	0	110.8	I55 Q56 R57 W167 K169 S170 V174	I55-T172 HydrophobicContact CG2-CG2 3.39Å; Q56-T172 CarbonylContact O-C 3.59Å; Q56-T172 WeakPolarHBondContact O-CA 3.27Å; R57-T172 WeakPolarHBondContact CD-OG1 3.17Å; R57-T172 PolarHBondContact NH1-OG1 3.25Å; W167-T172 HydrophobicContact CB-CG2 4.49Å; W167-T172 VanDerWaalsContact O-CB 3.24Å; W167-T172 WeakPolarHBondContact O-CB 3.41Å; W167-T172 VanDerWaalsContact O-CG2 3.24Å; W167-T172 WeakPolarHBondContact O-CG2 3.49Å; W167-T172 PolarHBondContact O-OG1 3.34Å; K169-T172 WeakPolarHBondContact O-CB 3.49Å; K169-T172 PolarHBondContact O-N 3.09Å; K169-T172 PolarHBondContact O-OG1 3.26Å; K169-T172 VanDerWaalsContact O-OG1 3.14Å; S170-T172 VanDerWaalsContact C-N 3.27Å; S170-T172 PolarHBondContact O-N 3.08Å; T172-V174 HydrophobicContact CG2-CG2 4.18Å
173	L	82.9	Confident	81.9	Confident	54 Å²	54	46.1 Å²	46.1	28%	0.283	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	127.1	167.7	180	63.6	0	0	0	109.4	I55 Q56 Q59 E175	I55-L173 WeakPolarHBondContact CA-O 3.47Å; Q56-L173 PolarHBondContact N-O 3.32Å; Q56-L173 PolarHBondContact O-N 2.03Å; Q59-L173 HydrophobicContact CB-CB 3.97Å; Q59-L173 HydrophobicContact CG-CB 3.68Å; Q59-L173 HydrophobicContact CG-CD2 4.46Å; L173-E175 HydrophobicContact CD1-CG 4.31Å; L173-E175 HydrophobicContact CD2-CG 3.96Å; L173-E175 HydrophobicContact CG-CG 3.78Å
174	V	83.8	Confident	81.8	Confident	44 Å²	44	46.9 Å²	46.9	27%	0.267	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	126.7	171.8	-176.7	0	0	0	0	108.7	M53 R54 I55 V163 T172 F176	M53-V174 HydrophobicContact CG-CG1 4.13Å; M53-V174 HydrophobicContact SD-CG1 4.29Å; R54-V174 CarbonylContact O-C 3.47Å; R54-V174 WeakPolarHBondContact O-CA 3.14Å; I55-V174 HydrophobicContact CG1-CG1 4.39Å; I55-V174 HydrophobicContact CG1-CG2 4.34Å; I55-V174 HydrophobicContact CG2-CG2 4.3Å; V163-V174 HydrophobicContact CG1-CG2 3.88Å; V163-V174 HydrophobicContact CG2-CB 4.49Å; V163-V174 HydrophobicContact CG2-CG1 3.84Å; V163-V174 HydrophobicContact CG2-CG2 4.15Å; T172-V174 HydrophobicContact CG2-CG2 4.18Å; V174-F176 HydrophobicContact CG1-CD2 4.16Å; V174-F176 HydrophobicContact CG1-CE2 3.5Å; V174-F176 HydrophobicContact CG1-CZ 3.78Å
175	E	83.9	Confident	81.6	Confident	15 Å²	15	50.7 Å²	50.7	7%	0.07	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	123.4	-178.7	-50.4	-173.6	73	0	0	110.2	R2 M53 R54 Q56 L173	R2-E175 IonicContact CZ-OE1 3.77Å; R2-E175 IonicContact CZ-OE2 3.73Å; R2-E175 IonicContact NE-OE1 2.72Å; R2-E175 PolarHBondContact NE-OE1 3.35Å; R2-E175 IonicContact NE-OE2 2.97Å; R2-E175 VanDerWaalsContact NH2-CD 3.29Å; R2-E175 IonicContact NH2-OE1 2.72Å; R2-E175 PolarHBondContact NH2-OE1 2.88Å; R2-E175 VanDerWaalsContact NH2-OE1 3.13Å; R2-E175 IonicContact NH2-OE2 3.53Å; R2-E175 PolarHBondContact NH2-OE2 2.8Å; M53-E175 WeakPolarHBondContact CA-O 3.13Å; R54-E175 HydrophobicContact CB-CB 4.32Å; R54-E175 PolarHBondContact N-O 3.37Å; R54-E175 PolarHBondContact O-N 3.38Å; Q56-E175 PolarHBondContact NE2-OE2 3.49Å; L173-E175 HydrophobicContact CD1-CG 4.31Å; L173-E175 HydrophobicContact CD2-CG 3.96Å; L173-E175 HydrophobicContact CG-CG 3.78Å
176	F	84.2	Confident	81.8	Confident	41 Å²	41	51.8 Å²	51.8	18%	0.18	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	131.4	168.8	-61.6	-83.5	0	0	0	109.7	M1 Y51 S52 M53 I146 I161 V163 V174	M1-F176 PolarHBondContact N-O 2.98Å; Y51-F176 HydrophobicContact CD1-CB 4.39Å; S52-F176 WeakPolarHBondContact O-CA 2.91Å; M53-F176 HydrophobicContact CB-CD1 4.01Å; M53-F176 HydrophobicContact CB-CE1 3.8Å; M53-F176 HydrophobicContact CG-CD1 4.16Å; M53-F176 HydrophobicContact CG-CE1 3.63Å; M53-F176 HydrophobicContact CG-CZ 4.09Å; M53-F176 HydrophobicContact SD-CE1 3.69Å; M53-F176 HydrophobicContact SD-CZ 3.83Å; I146-F176 HydrophobicContact CD1-CB 3.59Å; I146-F176 HydrophobicContact CD1-CD1 3.59Å; I146-F176 HydrophobicContact CD1-CD2 3.43Å; I146-F176 VanDerWaalsContact CD1-CD2 3.43Å; I146-F176 HydrophobicContact CD1-CE1 4.06Å; I146-F176 HydrophobicContact CD1-CE2 3.91Å; I146-F176 HydrophobicContact CD1-CG 3.23Å; I146-F176 HydrophobicContact CD1-CZ 4.2Å; I146-F176 HydrophobicContact CG1-CD1 4.32Å; I146-F176 HydrophobicContact CG1-CD2 3.97Å; I146-F176 HydrophobicContact CG1-CE1 4.3Å; I146-F176 HydrophobicContact CG1-CE2 3.93Å; I146-F176 HydrophobicContact CG1-CG 4.15Å; I146-F176 HydrophobicContact CG1-CZ 4.1Å; I161-F176 HydrophobicContact CG2-CD1 4.45Å; I161-F176 HydrophobicContact CG2-CE1 3.63Å; I161-F176 HydrophobicContact CG2-CZ 4.41Å; V163-F176 HydrophobicContact CG2-CZ 4.11Å; V174-F176 HydrophobicContact CG1-CD2 4.16Å; V174-F176 HydrophobicContact CG1-CE2 3.5Å; V174-F176 HydrophobicContact CG1-CZ 3.78Å
177	E	81.4	Confident	81.8	Confident	37 Å²	37	51.9 Å²	51.9	17%	0.173	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	124.6	174.3	-175.4	171.9	174.7	0	0	109	Y51 S52 I179 T219 K223	Y51-E177 CarbonylContact C-O 3.59Å; Y51-E177 VanDerWaalsContact CA-O 3.32Å; Y51-E177 WeakPolarHBondContact CA-O 3.45Å; S52-E177 PolarHBondContact N-O 3.41Å; S52-E177 PolarHBondContact O-N 3.49Å; S52-E177 PolarHBondContact OG-O 3.26Å; E177-I179 PolarHBondContact O-N 3.35Å; E177-T219 PolarHBondContact OE1-OG1 2.97Å; E177-T219 VanDerWaalsContact OE1-OG1 3.12Å; E177-T219 PolarHBondContact OE2-OG1 2.76Å; E177-K223 VanDerWaalsContact OE1-CE 3.24Å; E177-K223 WeakPolarHBondContact OE1-CE 3.16Å; E177-K223 IonicContact OE1-NZ 3.15Å; E177-K223 PolarHBondContact OE1-NZ 3.23Å; E177-K223 WeakPolarHBondContact OE2-CE 3.31Å; E177-K223 IonicContact OE2-NZ 2.82Å
178	A	81.4	Confident	82.1	Confident	40 Å²	40	54.7 Å²	54.7	33%	0.331	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.7	133.8	178.3	0	0	0	0	0	110.2	Y50 Y51	Y50-A178 CarbonylContact O-C 3.44Å; Y50-A178 VanDerWaalsContact O-CA 3.3Å; Y50-A178 WeakPolarHBondContact O-CA 3.37Å; Y51-A178 HydrophobicContact CD1-CB 4.3Å; Y51-A178 HydrophobicContact CE1-CB 4.23Å
179	I	82.8	Confident	82.7	Confident	15 Å²	15	54.7 Å²	54.7	8%	0.077	30%	0.302	C	S	.	.	P	Polyproline II helix	trans	-87.9	124.8	172.1	-60.1	173.6	0	0	0	106.5	L47 H48 Y50 E177 I212	L47-I179 HydrophobicContact CD2-CD1 3.97Å; H48-I179 WeakPolarHBondContact O-CD1 3.49Å; Y50-I179 PolarHBondContact O-N 2.97Å; E177-I179 PolarHBondContact O-N 3.35Å; I179-I212 HydrophobicContact CD1-CG2 4.33Å; I179-I212 HydrophobicContact CG2-CB 4.29Å; I179-I212 HydrophobicContact CG2-CG2 4.14Å
180	G	79.3	Confident	83.4	Confident	19 Å²	19	55.8 Å²	55.8	20%	0.196	31%	0.309	C	S	.	.	P	Polyproline II helix	trans	-74.5	154.4	175.7	0	0	0	0	0	112	E213	G180-E213 VanDerWaalsContact CA-OE1 3.27Å; G180-E213 WeakPolarHBondContact CA-OE1 3.46Å; G180-E213 WeakPolarHBondContact CA-OE2 3.48Å
181	E	76.8	Confident	84.4	Confident	104 Å²	104	54.1 Å²	54.1	49%	0.486	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.7	-9.1	-167.9	-45.8	-167.7	151.4	0	0	113.6	F24 Y50 S184 E213	F24-E181 HydrophobicContact CE2-CB 3.89Å; F24-E181 HydrophobicContact CE2-CG 3.91Å; Y50-E181 WeakPolarHBondContact CE1-OE1 3.39Å; E181-S184 VanDerWaalsContact C-OG 3.32Å; E181-S184 WeakPolarHBondContact CA-OG 3.02Å; E181-S184 PolarHBondContact O-OG 3.06Å; E181-E213 PolarHBondContact N-OE1 3.34Å
182	I	83	Confident	85.2	Confident	90 Å²	90	53.1 Å²	53.1	46%	0.462	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.4	-49.4	-172.9	-53.6	173.2	0	0	0	110.2	S184 Q185 Y186 M200 E213	I182-S184 VanDerWaalsContact C-N 3.31Å; I182-S184 PolarHBondContact O-N 3.2Å; I182-Q185 WeakPolarHBondContact O-CG 3.2Å; I182-Q185 PolarHBondContact O-NE2 3.12Å; I182-Y186 WeakPolarHBondContact O-CE2 3.5Å; I182-M200 HydrophobicContact CB-SD 3.59Å; I182-M200 VanDerWaalsContact CB-SD 3.59Å; I182-M200 HydrophobicContact CD1-SD 4.02Å; I182-M200 HydrophobicContact CG1-SD 4.41Å; I182-M200 HydrophobicContact CG2-CE 3.87Å; I182-M200 HydrophobicContact CG2-SD 3.38Å; I182-M200 WeakPolarHBondContact CG2-SD 3.4Å; I182-E213 WeakPolarHBondContact CA-OE1 3.42Å; I182-E213 VanDerWaalsContact CB-OE1 3.28Å; I182-E213 WeakPolarHBondContact CB-OE1 3.23Å; I182-E213 PolarHBondContact N-OE1 3.16Å
183	C	87.9	Confident	85.7	Confident	0 Å²	0	56.6 Å²	56.6	0%	0	30%	0.299	C	S	.	.	G	3₁₀ helix	trans	-70.7	-30.9	179.3	-64.8	0	0	0	0	111.9	Q185 Y186 C202 C211 E213	C183-Q185 PolarHBondContact O-N 3.06Å; C183-Y186 WeakPolarHBondContact O-CD2 2.9Å; C183-Y186 PolarHBondContact O-N 3.47Å; C183-Y186 VanDerWaalsContact O-N 3.1Å; C183-C202 HydrophobicContact CB-CB 3.8Å; C183-C202 WeakPolarHBondContact CB-SG 3.03Å; C183-C202 WeakPolarHBondContact SG-CA 3.37Å; C183-C202 WeakPolarHBondContact SG-CB 3.23Å; C183-C202 CovalentContact SG-SG 2.02Å; C183-C202 PolarHBondContact SG-SG 2.92Å; C183-C211 WeakPolarHBondContact O-CB 3.48Å; C183-C211 PolarHBondContact O-SG 2.82Å; C183-E213 HydrophobicContact CB-CG 3.67Å; C183-E213 PolarHBondContact N-OE1 2.83Å; C183-E213 WeakPolarHBondContact SG-CG 3.43Å
184	S	83.7	Confident	86.1	Confident	23 Å²	23	60.5 Å²	60.5	16%	0.161	32%	0.32	C	S	.	.	G	3₁₀ helix	trans	-65.5	-12.5	-175.7	61.8	0	0	0	0	114.8	F24 E181 I182 Y186 C211	F24-S184 VanDerWaalsContact CE1-CB 3.46Å; F24-S184 WeakPolarHBondContact CE1-OG 3.47Å; F24-S184 WeakPolarHBondContact CE2-OG 3.4Å; F24-S184 WeakPolarHBondContact CZ-OG 2.78Å; E181-S184 VanDerWaalsContact C-OG 3.32Å; E181-S184 WeakPolarHBondContact CA-OG 3.02Å; E181-S184 PolarHBondContact O-OG 3.06Å; I182-S184 VanDerWaalsContact C-N 3.31Å; I182-S184 PolarHBondContact O-N 3.2Å; S184-Y186 VanDerWaalsContact C-N 3.28Å; S184-Y186 PolarHBondContact O-N 2.94Å; S184-C211 VanDerWaalsContact CA-O 3.27Å; S184-C211 WeakPolarHBondContact CA-O 3.13Å
185	Q	83	Confident	86.5	Confident	110 Å²	110	59 Å²	59	51%	0.514	31%	0.312	S	S	.	.	G	3₁₀ helix	trans	-74.3	-17.3	174.8	78.9	-167.7	-31	0	0	113.6	I182 C183	I182-Q185 WeakPolarHBondContact O-CG 3.2Å; I182-Q185 PolarHBondContact O-NE2 3.12Å; C183-Q185 PolarHBondContact O-N 3.06Å
186	Y	88	Confident	86.8	Confident	66 Å²	66	61 Å²	61	26%	0.259	33%	0.326	S	S	.	.			trans	-88.2	120.9	-177.6	-57.7	-67.4	0	0	0	110.5	I182 C183 S184 A195 C211	I182-Y186 WeakPolarHBondContact O-CE2 3.5Å; C183-Y186 WeakPolarHBondContact O-CD2 2.9Å; C183-Y186 PolarHBondContact O-N 3.47Å; C183-Y186 VanDerWaalsContact O-N 3.1Å; S184-Y186 VanDerWaalsContact C-N 3.28Å; S184-Y186 PolarHBondContact O-N 2.94Å; Y186-A195 HydrophobicContact CD2-CB 3.62Å; Y186-A195 HydrophobicContact CE1-CB 4.08Å; Y186-A195 HydrophobicContact CE2-CB 3.1Å; Y186-A195 HydrophobicContact CG-CB 4.33Å; Y186-C211 WeakPolarHBondContact O-CB 3.27Å
187	N	87.6	Confident	87	Confident	121 Å²	121	63 Å²	63	65%	0.647	34%	0.341	S	S	*	.			trans	-101.5	7	-173	-62.7	-35.1	0	0	0	113.6	W204	N187-W204 VanDerWaalsContact C-CH2 3.46Å; N187-W204 WeakPolarHBondContact O-CH2 3.41Å
188	T	89.6	Confident	87.2	Confident	66 Å²	66	66.3 Å²	66.3	41%	0.405	38%	0.375	S	S	.	.	S	Bend	trans	-134.9	149.9	176.2	70.9	0	0	0	0	110.5	E190 T191 C192	T188-E190 VanDerWaalsContact C-N 3.29Å; T188-E190 PolarHBondContact O-N 2.98Å; T188-T191 PolarHBondContact N-OG1 2.85Å; T188-T191 PolarHBondContact O-N 2.01Å; T188-T191 PolarHBondContact O-OG1 2.72Å; T188-T191 VanDerWaalsContact O-OG1 3.08Å; T188-T191 WeakPolarHBondContact OG1-CB 3.47Å; T188-T191 WeakPolarHBondContact OG1-CG2 3.41Å; T188-T191 PolarHBondContact OG1-N 3.3Å; T188-T191 PolarHBondContact OG1-OG1 2.87Å; T188-C192 VanDerWaalsContact O-CB 3.27Å; T188-C192 WeakPolarHBondContact O-CB 3.28Å; T188-C192 PolarHBondContact O-N 3.24Å
189	S	91.5	Very high	87.3	Confident	30 Å²	30	71.7 Å²	71.7	21%	0.21	40%	0.398	C	S	.	.	H	α-helix	trans	-54.1	-45.9	177.1	-171.5	0	0	0	0	111.9	C192 Q193 W204	S189-C192 WeakPolarHBondContact O-CB 3.45Å; S189-C192 PolarHBondContact O-N 3.46Å; S189-Q193 WeakPolarHBondContact O-CB 3.41Å; S189-Q193 VanDerWaalsContact O-CG 3.27Å; S189-Q193 WeakPolarHBondContact O-CG 3.39Å; S189-Q193 PolarHBondContact O-N 2.72Å; S189-Q193 PolarHBondContact OG-NE2 2.96Å; S189-Q193 VanDerWaalsContact OG-NE2 3.09Å; S189-W204 VanDerWaalsContact CA-CD2 3.5Å
190	E	92.2	Very high	87.6	Confident	146 Å²	146	71.9 Å²	71.9	68%	0.682	40%	0.399	S	S	*	.	H	α-helix	trans	-60.7	-48.9	179.3	-64.1	179.3	176.1	0	0	112.5	T188 C192 Q193 N194	T188-E190 VanDerWaalsContact C-N 3.29Å; T188-E190 PolarHBondContact O-N 2.98Å; E190-C192 VanDerWaalsContact C-N 3.34Å; E190-C192 PolarHBondContact O-N 3.41Å; E190-Q193 PolarHBondContact O-N 3.37Å; E190-N194 VanDerWaalsContact O-CB 3.32Å; E190-N194 WeakPolarHBondContact O-CB 3.48Å; E190-N194 PolarHBondContact O-N 2.9Å; E190-N194 PolarHBondContact O-ND2 3.1Å; E190-N194 VanDerWaalsContact O-ND2 3.16Å
191	T	93.3	Very high	88.1	Confident	62 Å²	62	73.1 Å²	73.1	38%	0.38	40%	0.403	S	S	.	.	H	α-helix	trans	-68.3	-36.3	-179.2	55.8	0	0	0	0	111.8	T188 A195	T188-T191 PolarHBondContact N-OG1 2.85Å; T188-T191 PolarHBondContact O-N 2.01Å; T188-T191 PolarHBondContact O-OG1 2.72Å; T188-T191 VanDerWaalsContact O-OG1 3.08Å; T188-T191 WeakPolarHBondContact OG1-CB 3.47Å; T188-T191 WeakPolarHBondContact OG1-CG2 3.41Å; T188-T191 PolarHBondContact OG1-N 3.3Å; T188-T191 PolarHBondContact OG1-OG1 2.87Å; T191-A195 WeakPolarHBondContact O-CB 3.43Å; T191-A195 PolarHBondContact O-N 2.8Å
192	C	93.3	Very high	88.8	Confident	0 Å²	0	68.6 Å²	68.6	0%	0	38%	0.382	C	S	.	.	H	α-helix	trans	-61.6	-50.1	174.6	179.5	0	0	0	0	111.9	T188 S189 E190 A195 C202 W204 C211	T188-C192 VanDerWaalsContact O-CB 3.27Å; T188-C192 WeakPolarHBondContact O-CB 3.28Å; T188-C192 PolarHBondContact O-N 3.24Å; S189-C192 WeakPolarHBondContact O-CB 3.45Å; S189-C192 PolarHBondContact O-N 3.46Å; E190-C192 VanDerWaalsContact C-N 3.34Å; E190-C192 PolarHBondContact O-N 3.41Å; C192-A195 PolarHBondContact O-N 3.08Å; C192-C202 WeakPolarHBondContact O-CB 3.36Å; C192-W204 HydrophobicContact CB-CB 4.34Å; C192-W204 HydrophobicContact CB-CD2 4.45Å; C192-W204 HydrophobicContact CB-CE3 3.64Å; C192-W204 HydrophobicContact CB-CZ3 4.36Å; C192-W204 PolarHBondContact SG-N 3.41Å; C192-C211 VanDerWaalsContact CA-SG 3.5Å; C192-C211 HydrophobicContact CB-CB 3.61Å; C192-C211 WeakPolarHBondContact CB-SG 3.38Å; C192-C211 WeakPolarHBondContact SG-CB 3.31Å; C192-C211 CovalentContact SG-SG 2.02Å; C192-C211 PolarHBondContact SG-SG 2.89Å
193	Q	89.9	Confident	89.2	Confident	105 Å²	105	64.7 Å²	64.7	49%	0.491	36%	0.362	S	S	.	.	H	α-helix	trans	-65.8	-43.4	-178.2	-69.8	178.3	22.7	0	0	111.6	S189 E190 A195 T196	S189-Q193 WeakPolarHBondContact O-CB 3.41Å; S189-Q193 VanDerWaalsContact O-CG 3.27Å; S189-Q193 WeakPolarHBondContact O-CG 3.39Å; S189-Q193 PolarHBondContact O-N 2.72Å; S189-Q193 PolarHBondContact OG-NE2 2.96Å; S189-Q193 VanDerWaalsContact OG-NE2 3.09Å; E190-Q193 PolarHBondContact O-N 3.37Å; Q193-A195 PolarHBondContact O-N 2.9Å; Q193-T196 WeakPolarHBondContact O-CB 3.07Å; Q193-T196 PolarHBondContact O-N 2.94Å; Q193-T196 PolarHBondContact O-OG1 2.74Å
194	N	92.9	Very high	89.5	Confident	136 Å²	136	65.7 Å²	65.7	73%	0.727	37%	0.366	S	S	*	.	H	α-helix	trans	-67.6	-18	179.9	-70.6	-22.9	0	0	0	113.7	E190 T196	E190-N194 VanDerWaalsContact O-CB 3.32Å; E190-N194 WeakPolarHBondContact O-CB 3.48Å; E190-N194 PolarHBondContact O-N 2.9Å; E190-N194 PolarHBondContact O-ND2 3.1Å; E190-N194 VanDerWaalsContact O-ND2 3.16Å; N194-T196 VanDerWaalsContact C-N 3.27Å; N194-T196 PolarHBondContact O-N 3.09Å
195	A	90.8	Very high	89.8	Confident	12 Å²	12	64.6 Å²	64.6	10%	0.099	36%	0.358	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.6	-9.9	177.6	0	0	0	0	0	114.1	Y186 T191 C192 Q193 T197 M200	Y186-A195 HydrophobicContact CD2-CB 3.62Å; Y186-A195 HydrophobicContact CE1-CB 4.08Å; Y186-A195 HydrophobicContact CE2-CB 3.1Å; Y186-A195 HydrophobicContact CG-CB 4.33Å; T191-A195 WeakPolarHBondContact O-CB 3.43Å; T191-A195 PolarHBondContact O-N 2.8Å; C192-A195 PolarHBondContact O-N 3.08Å; Q193-A195 PolarHBondContact O-N 2.9Å; A195-T197 PolarHBondContact O-N 2.92Å; A195-M200 WeakPolarHBondContact O-CE 3.42Å
196	T	91.2	Very high	90.1	Very high	59 Å²	59	65.9 Å²	65.9	36%	0.362	36%	0.364	S	S	.	.			trans	-63.2	129.9	177.8	-67.4	0	0	0	0	110.8	Q193 N194 M200 T201 C202	Q193-T196 WeakPolarHBondContact O-CB 3.07Å; Q193-T196 PolarHBondContact O-N 2.94Å; Q193-T196 PolarHBondContact O-OG1 2.74Å; N194-T196 VanDerWaalsContact C-N 3.27Å; N194-T196 PolarHBondContact O-N 3.09Å; T196-M200 CarbonylContact C-O 3.53Å; T196-M200 WeakPolarHBondContact CA-O 3.15Å; T196-T201 HydrophobicContact CG2-CG2 4.02Å; T196-C202 PolarHBondContact OG1-N 3.24Å; T196-C202 VanDerWaalsContact OG1-N 3.07Å; T196-C202 PolarHBondContact OG1-O 2.79Å
197	T	88.4	Confident	89.9	Confident	81 Å²	81	68.6 Å²	68.6	50%	0.497	38%	0.378	S	S	.	.	B	Isolated β-bridge	trans	-124.3	177.5	177.3	66.8	0	0	0	0	110.5	A195 N199 M200	A195-T197 PolarHBondContact O-N 2.92Å; T197-N199 PolarHBondContact O-N 2.94Å; T197-N199 VanDerWaalsContact O-N 3.16Å; T197-M200 PolarHBondContact N-O 3.31Å; T197-M200 PolarHBondContact O-N 2.93Å; T197-M200 PolarHBondContact OG1-N 2.91Å
198	A	84.2	Confident	89.7	Confident	107 Å²	107	63.2 Å²	63.2	88%	0.884	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.8	-26.9	177.4	0	0	0	0	0	114
199	N	85	Confident	89.6	Confident	153 Å²	153	65.5 Å²	65.5	82%	0.818	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107.8	-9	-175.7	-66.2	-15.1	0	0	0	113.7	T197	T197-N199 PolarHBondContact O-N 2.94Å; T197-N199 VanDerWaalsContact O-N 3.16Å
200	M	87.8	Confident	89.4	Confident	20 Å²	20	65.4 Å²	65.4	10%	0.099	36%	0.361	C	S	.	.	B	Isolated β-bridge	trans	-143.4	126.8	-173.8	179	-171.2	71.3	0	0	109.7	I182 A195 T196 T197 E213 N215	I182-M200 HydrophobicContact CB-SD 3.59Å; I182-M200 VanDerWaalsContact CB-SD 3.59Å; I182-M200 HydrophobicContact CD1-SD 4.02Å; I182-M200 HydrophobicContact CG1-SD 4.41Å; I182-M200 HydrophobicContact CG2-CE 3.87Å; I182-M200 HydrophobicContact CG2-SD 3.38Å; I182-M200 WeakPolarHBondContact CG2-SD 3.4Å; A195-M200 WeakPolarHBondContact O-CE 3.42Å; T196-M200 CarbonylContact C-O 3.53Å; T196-M200 WeakPolarHBondContact CA-O 3.15Å; T197-M200 PolarHBondContact N-O 3.31Å; T197-M200 PolarHBondContact O-N 2.93Å; T197-M200 PolarHBondContact OG1-N 2.91Å; M200-E213 HydrophobicContact CG-CG 4.46Å; M200-N215 VanDerWaalsContact CA-OD1 3.31Å; M200-N215 WeakPolarHBondContact CA-OD1 3.44Å
201	T	91	Very high	89.3	Confident	45 Å²	45	58.6 Å²	58.6	28%	0.276	33%	0.33	S	S	.	.			trans	-113	126.4	175.9	-49.8	0	0	0	0	110.5	T196 S214 N215	T196-T201 HydrophobicContact CG2-CG2 4.02Å; T201-S214 PolarHBondContact O-N 2.83Å; T201-N215 PolarHBondContact N-OD1 3.12Å
202	C	91.6	Very high	89.2	Confident	8 Å²	8	55.8 Å²	55.8	5%	0.054	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	137	176.4	-62.5	0	0	0	0	110.2	C183 C192 T196 I212	C183-C202 HydrophobicContact CB-CB 3.8Å; C183-C202 WeakPolarHBondContact CB-SG 3.03Å; C183-C202 WeakPolarHBondContact SG-CA 3.37Å; C183-C202 WeakPolarHBondContact SG-CB 3.23Å; C183-C202 CovalentContact SG-SG 2.02Å; C183-C202 PolarHBondContact SG-SG 2.92Å; C192-C202 WeakPolarHBondContact O-CB 3.36Å; T196-C202 PolarHBondContact OG1-N 3.24Å; T196-C202 VanDerWaalsContact OG1-N 3.07Å; T196-C202 PolarHBondContact OG1-O 2.79Å; C202-I212 WeakPolarHBondContact CA-O 3.3Å
203	I	91.7	Very high	89	Confident	8 Å²	8	57 Å²	57	4%	0.041	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	130.2	176.2	-60.8	176.9	0	0	0	108.5	C211 I212 S214 K223 V224 C227	I203-C211 WeakPolarHBondContact O-CA 3.13Å; I203-I212 HydrophobicContact CB-CG1 4.2Å; I203-I212 PolarHBondContact N-O 3.05Å; I203-I212 PolarHBondContact O-N 3.07Å; I203-S214 WeakPolarHBondContact CD1-OG 3.31Å; I203-K223 HydrophobicContact CD1-CB 4.04Å; I203-V224 HydrophobicContact CD1-CB 4.24Å; I203-V224 HydrophobicContact CD1-CG2 3.36Å; I203-V224 HydrophobicContact CG1-CG2 4.25Å; I203-C227 HydrophobicContact CG2-CB 3.81Å
204	W	92.3	Very high	88.8	Confident	21 Å²	21	52 Å²	52	8%	0.08	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	129.9	171	-173.2	-108.8	0	0	0	110.5	N187 S189 C192 N209 C211	N187-W204 VanDerWaalsContact C-CH2 3.46Å; N187-W204 WeakPolarHBondContact O-CH2 3.41Å; S189-W204 VanDerWaalsContact CA-CD2 3.5Å; C192-W204 HydrophobicContact CB-CB 4.34Å; C192-W204 HydrophobicContact CB-CD2 4.45Å; C192-W204 HydrophobicContact CB-CE3 3.64Å; C192-W204 HydrophobicContact CB-CZ3 4.36Å; C192-W204 PolarHBondContact SG-N 3.41Å; W204-N209 WeakPolarHBondContact CZ2-OD1 3.23Å; W204-C211 HydrophobicContact CE3-CB 3.82Å; W204-C211 HydrophobicContact CZ3-CB 4.01Å
205	C	90.4	Very high	88.3	Confident	0 Å²	0	49 Å²	49	0%	0	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	98.9	174.6	-49.8	0	0	0	0	108.6	I37 L47 K207 G208 N209 A210 I212 C227	I37-C205 HydrophobicContact CD1-CB 4.45Å; L47-C205 HydrophobicContact CD1-CB 4.31Å; C205-K207 PolarHBondContact O-N 3.12Å; C205-G208 CarbonylContact O-C 3.57Å; C205-G208 WeakPolarHBondContact O-CA 3.2Å; C205-G208 PolarHBondContact O-N 3.27Å; C205-N209 PolarHBondContact O-N 2.8Å; C205-A210 PolarHBondContact N-O 3.17Å; C205-A210 PolarHBondContact O-N 3.46Å; C205-I212 VanDerWaalsContact SG-CD1 3.58Å; C205-C227 HydrophobicContact CB-CB 3.63Å; C205-C227 WeakPolarHBondContact CB-SG 3.35Å; C205-C227 WeakPolarHBondContact SG-CB 3.5Å; C205-C227 CovalentContact SG-SG 2.03Å; C205-C227 PolarHBondContact SG-SG 3.41Å
206	E	89	Confident	87.7	Confident	137 Å²	137	51.6 Å²	51.6	64%	0.64	29%	0.291	S	S	*	.	G	3₁₀ helix	trans	-48.3	-56.6	-175.1	-73.3	-86.4	142.4	0	0	112.3	G208 N209	E206-G208 PolarHBondContact O-N 2.91Å; E206-N209 PolarHBondContact O-N 3.3Å
207	K	85.5	Confident	87.1	Confident	124 Å²	124	57.3 Å²	57.3	54%	0.539	31%	0.314	S	S	.	.	G	3₁₀ helix	trans	-66.2	-27.8	-178.4	-164.7	-175.5	175.3	-177.6	0	113.2	V36 I37 C205 N209	V36-K207 VanDerWaalsContact O-CE 3.28Å; V36-K207 WeakPolarHBondContact O-CE 3.49Å; V36-K207 PolarHBondContact O-NZ 2.76Å; I37-K207 WeakPolarHBondContact O-CD 3.47Å; I37-K207 WeakPolarHBondContact O-CE 3.43Å; I37-K207 PolarHBondContact O-NZ 3Å; C205-K207 PolarHBondContact O-N 3.12Å; K207-N209 VanDerWaalsContact C-N 3.34Å
208	G	82.9	Confident	86.6	Confident	8 Å²	8	60.2 Å²	60.2	8%	0.082	33%	0.326	C	S	.	.	G	3₁₀ helix	trans	-79.9	-18.5	175.9	0	0	0	0	0	113.5	I37 C205 E206 A210	I37-G208 VanDerWaalsContact CD1-CA 3.47Å; C205-G208 CarbonylContact O-C 3.57Å; C205-G208 WeakPolarHBondContact O-CA 3.2Å; C205-G208 PolarHBondContact O-N 3.27Å; E206-G208 PolarHBondContact O-N 2.91Å; G208-A210 PolarHBondContact O-N 2.83Å
209	N	87.3	Confident	86.3	Confident	114 Å²	114	55.6 Å²	55.6	61%	0.61	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	44.5	41.7	-164.6	-167.6	50.4	0	0	0	111.9	W204 C205 E206 K207	W204-N209 WeakPolarHBondContact CZ2-OD1 3.23Å; C205-N209 PolarHBondContact O-N 2.8Å; E206-N209 PolarHBondContact O-N 3.3Å; K207-N209 VanDerWaalsContact C-N 3.34Å
210	A	87.9	Confident	86.3	Confident	27 Å²	27	51 Å²	51	22%	0.223	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	143	-170.9	0	0	0	0	0	110.8	L47 C205 G208	L47-A210 HydrophobicContact CD1-CB 4.14Å; C205-A210 PolarHBondContact N-O 3.17Å; C205-A210 PolarHBondContact O-N 3.46Å; G208-A210 PolarHBondContact O-N 2.83Å
211	C	89.2	Confident	86.1	Confident	3 Å²	3	51.9 Å²	51.9	2%	0.02	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	128.6	173.2	-172	0	0	0	0	109.8	C183 S184 Y186 C192 I203 W204	C183-C211 WeakPolarHBondContact O-CB 3.48Å; C183-C211 PolarHBondContact O-SG 2.82Å; S184-C211 VanDerWaalsContact CA-O 3.27Å; S184-C211 WeakPolarHBondContact CA-O 3.13Å; Y186-C211 WeakPolarHBondContact O-CB 3.27Å; C192-C211 VanDerWaalsContact CA-SG 3.5Å; C192-C211 HydrophobicContact CB-CB 3.61Å; C192-C211 WeakPolarHBondContact CB-SG 3.38Å; C192-C211 WeakPolarHBondContact SG-CB 3.31Å; C192-C211 CovalentContact SG-SG 2.02Å; C192-C211 PolarHBondContact SG-SG 2.89Å; I203-C211 WeakPolarHBondContact O-CA 3.13Å; W204-C211 HydrophobicContact CE3-CB 3.82Å; W204-C211 HydrophobicContact CZ3-CB 4.01Å
212	I	90.1	Very high	85.7	Confident	4 Å²	4	52.8 Å²	52.8	2%	0.021	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	149.6	-177.9	66.4	170.7	0	0	0	112	L47 I179 C202 I203 C205 K223	L47-I212 HydrophobicContact CD1-CG2 4.03Å; L47-I212 HydrophobicContact CD2-CD1 4.47Å; L47-I212 HydrophobicContact CD2-CG2 4.19Å; I179-I212 HydrophobicContact CD1-CG2 4.33Å; I179-I212 HydrophobicContact CG2-CB 4.29Å; I179-I212 HydrophobicContact CG2-CG2 4.14Å; C202-I212 WeakPolarHBondContact CA-O 3.3Å; I203-I212 HydrophobicContact CB-CG1 4.2Å; I203-I212 PolarHBondContact N-O 3.05Å; I203-I212 PolarHBondContact O-N 3.07Å; C205-I212 VanDerWaalsContact SG-CD1 3.58Å; I212-K223 HydrophobicContact CD1-CD 4.46Å
213	E	89.6	Confident	85.4	Confident	24 Å²	24	52.6 Å²	52.6	11%	0.112	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	138.4	171.3	-77.5	178.6	-144.5	0	0	112	G180 E181 I182 C183 M200 N215 K223	G180-E213 VanDerWaalsContact CA-OE1 3.27Å; G180-E213 WeakPolarHBondContact CA-OE1 3.46Å; G180-E213 WeakPolarHBondContact CA-OE2 3.48Å; E181-E213 PolarHBondContact N-OE1 3.34Å; I182-E213 WeakPolarHBondContact CA-OE1 3.42Å; I182-E213 VanDerWaalsContact CB-OE1 3.28Å; I182-E213 WeakPolarHBondContact CB-OE1 3.23Å; I182-E213 PolarHBondContact N-OE1 3.16Å; C183-E213 HydrophobicContact CB-CG 3.67Å; C183-E213 PolarHBondContact N-OE1 2.83Å; C183-E213 WeakPolarHBondContact SG-CG 3.43Å; M200-E213 HydrophobicContact CG-CG 4.46Å; E213-N215 PolarHBondContact OE2-ND2 3.19Å; E213-K223 PolarHBondContact O-NZ 3.06Å
214	S	87	Confident	85.2	Confident	2 Å²	2	53.3 Å²	53.3	1%	0.014	28%	0.28	C	S	.	.			trans	-135.1	54.2	-179.1	-161	0	0	0	0	111.6	T201 I203 H220 K223	T201-S214 PolarHBondContact O-N 2.83Å; I203-S214 WeakPolarHBondContact CD1-OG 3.31Å; S214-H220 WeakPolarHBondContact CB-ND1 3.35Å; S214-H220 PolarHBondContact O-ND1 3.15Å; S214-H220 WeakPolarHBondContact OG-CA 3.44Å; S214-H220 PolarHBondContact OG-ND1 2.9Å; S214-K223 WeakPolarHBondContact OG-CD 3.42Å
215	N	80.7	Confident	84.9	Confident	72 Å²	72	57.2 Å²	57.2	39%	0.385	30%	0.303	S	S	.	.			trans	-83.6	-19.8	-174.2	-55.6	-27.9	0	0	0	113	M200 T201 E213 Q217	M200-N215 VanDerWaalsContact CA-OD1 3.31Å; M200-N215 WeakPolarHBondContact CA-OD1 3.44Å; T201-N215 PolarHBondContact N-OD1 3.12Å; E213-N215 PolarHBondContact OE2-ND2 3.19Å; N215-Q217 PolarHBondContact O-N 3.3Å
216	N	79.9	Confident	84.6	Confident	67 Å²	67	57.7 Å²	57.7	36%	0.358	31%	0.305	S	S	.	.			trans	-80.4	107.7	178.6	178.8	-1.2	0	0	0	110.2	N218 T219 H220	N216-N218 PolarHBondContact O-N 2.73Å; N216-N218 VanDerWaalsContact O-N 3.14Å; N216-N218 WeakPolarHBondContact OD1-CB 3.44Å; N216-N218 PolarHBondContact OD1-N 2.78Å; N216-T219 WeakPolarHBondContact CB-OG1 3.38Å; N216-T219 PolarHBondContact ND2-OG1 3.07Å; N216-T219 CarbonylContact O-C 3.58Å; N216-T219 PolarHBondContact O-N 2.73Å; N216-T219 PolarHBondContact O-OG1 3.22Å; N216-H220 WeakPolarHBondContact O-CB 3.41Å; N216-H220 PolarHBondContact O-N 3.13Å
217	Q	78.7	Confident	84.5	Confident	178 Å²	178	51.4 Å²	51.4	83%	0.832	28%	0.276	S	S	*	.	H	α-helix	trans	-55.3	-33.7	-179.3	-66.2	-176.1	-3.5	0	0	113.2	N215 T219	N215-Q217 PolarHBondContact O-N 3.3Å; Q217-T219 VanDerWaalsContact C-N 3.3Å; Q217-T219 PolarHBondContact O-N 2.91Å
218	N	76.3	Confident	84.3	Confident	143 Å²	143	53.4 Å²	53.4	77%	0.765	28%	0.28	S	S	*	.	H	α-helix	trans	-71.2	-24.4	-179.3	-64.2	-37.2	0	0	0	113.2	N216	N216-N218 PolarHBondContact O-N 2.73Å; N216-N218 VanDerWaalsContact O-N 3.14Å; N216-N218 WeakPolarHBondContact OD1-CB 3.44Å; N216-N218 PolarHBondContact OD1-N 2.78Å
219	T	79.2	Confident	83.5	Confident	9 Å²	9	56.7 Å²	56.7	6%	0.055	30%	0.299	C	S	.	.	H	α-helix	trans	-112.6	-4.7	179.8	60.2	0	0	0	0	112.7	E177 N216 Q217 G221 L222 K223	E177-T219 PolarHBondContact OE1-OG1 2.97Å; E177-T219 VanDerWaalsContact OE1-OG1 3.12Å; E177-T219 PolarHBondContact OE2-OG1 2.76Å; N216-T219 WeakPolarHBondContact CB-OG1 3.38Å; N216-T219 PolarHBondContact ND2-OG1 3.07Å; N216-T219 CarbonylContact O-C 3.58Å; N216-T219 PolarHBondContact O-N 2.73Å; N216-T219 PolarHBondContact O-OG1 3.22Å; Q217-T219 VanDerWaalsContact C-N 3.3Å; Q217-T219 PolarHBondContact O-N 2.91Å; T219-G221 PolarHBondContact O-N 2.79Å; T219-L222 PolarHBondContact O-N 3.19Å; T219-K223 PolarHBondContact O-N 2.78Å
220	H	83.8	Confident	82.1	Confident	58 Å²	58	59.6 Å²	59.6	27%	0.269	31%	0.309	S	S	.	.	H	α-helix	trans	-57.5	-55	-174.9	-179.9	80.9	0	0	0	112.3	S214 N216 L222 K223 V224	S214-H220 WeakPolarHBondContact CB-ND1 3.35Å; S214-H220 PolarHBondContact O-ND1 3.15Å; S214-H220 WeakPolarHBondContact OG-CA 3.44Å; S214-H220 PolarHBondContact OG-ND1 2.9Å; N216-H220 WeakPolarHBondContact O-CB 3.41Å; N216-H220 PolarHBondContact O-N 3.13Å; H220-L222 VanDerWaalsContact C-N 3.28Å; H220-L222 PolarHBondContact O-N 2.78Å; H220-K223 PolarHBondContact O-N 2.74Å; H220-K223 VanDerWaalsContact O-N 3.15Å; H220-V224 WeakPolarHBondContact O-CG2 3.26Å; H220-V224 PolarHBondContact O-N 3.09Å
221	G	83.7	Confident	80.2	Confident	38 Å²	38	63.5 Å²	63.5	39%	0.392	33%	0.325	S	S	.	.	H	α-helix	trans	-60	-37.8	179.4	0	0	0	0	0	112.8	T219 V224 N225	T219-G221 PolarHBondContact O-N 2.79Å; G221-V224 PolarHBondContact O-N 3.07Å; G221-N225 VanDerWaalsContact O-CG 3.25Å; G221-N225 PolarHBondContact O-N 3.23Å; G221-N225 VanDerWaalsContact O-N 3.07Å; G221-N225 PolarHBondContact O-ND2 3.32Å
222	L	83.7	Confident	77.8	Confident	64 Å²	64	71.8 Å²	71.8	34%	0.335	36%	0.363	S	S	.	.	H	α-helix	trans	-64.4	-46.4	175.3	-67.2	172.1	0	0	0	111.2	T219 H220 V224 N225 D226	T219-L222 PolarHBondContact O-N 3.19Å; H220-L222 VanDerWaalsContact C-N 3.28Å; H220-L222 PolarHBondContact O-N 2.78Å; L222-V224 PolarHBondContact O-N 2.95Å; L222-N225 PolarHBondContact O-N 2.7Å; L222-D226 VanDerWaalsContact O-CB 3.31Å; L222-D226 WeakPolarHBondContact O-CB 3.31Å; L222-D226 PolarHBondContact O-N 2.66Å
223	K	85	Confident	75.5	Confident	4 Å²	4	80.4 Å²	80.4	2%	0.017	40%	0.401	C	S	.	.	H	α-helix	trans	-62.1	-41	177.2	-78.2	-178.6	162.9	176.9	0	112.8	E177 I203 I212 E213 S214 T219 H220 N225 D226 C227	E177-K223 VanDerWaalsContact OE1-CE 3.24Å; E177-K223 WeakPolarHBondContact OE1-CE 3.16Å; E177-K223 IonicContact OE1-NZ 3.15Å; E177-K223 PolarHBondContact OE1-NZ 3.23Å; E177-K223 WeakPolarHBondContact OE2-CE 3.31Å; E177-K223 IonicContact OE2-NZ 2.82Å; I203-K223 HydrophobicContact CD1-CB 4.04Å; I212-K223 HydrophobicContact CD1-CD 4.46Å; E213-K223 PolarHBondContact O-NZ 3.06Å; S214-K223 WeakPolarHBondContact OG-CD 3.42Å; T219-K223 PolarHBondContact O-N 2.78Å; H220-K223 PolarHBondContact O-N 2.74Å; H220-K223 VanDerWaalsContact O-N 3.15Å; K223-N225 VanDerWaalsContact C-N 3.33Å; K223-D226 PolarHBondContact O-N 2.72Å; K223-C227 WeakPolarHBondContact O-CB 3.4Å; K223-C227 PolarHBondContact O-N 2.93Å
224	V	86.5	Confident	72.8	Confident	22 Å²	22	81.6 Å²	81.6	13%	0.133	42%	0.42	C	S	.	.	H	α-helix	trans	-58	-50.8	175.2	173.8	0	0	0	0	109.5	I203 H220 G221 L222 C227 R228	I203-V224 HydrophobicContact CD1-CB 4.24Å; I203-V224 HydrophobicContact CD1-CG2 3.36Å; I203-V224 HydrophobicContact CG1-CG2 4.25Å; H220-V224 WeakPolarHBondContact O-CG2 3.26Å; H220-V224 PolarHBondContact O-N 3.09Å; G221-V224 PolarHBondContact O-N 3.07Å; L222-V224 PolarHBondContact O-N 2.95Å; V224-C227 PolarHBondContact O-N 3.2Å; V224-R228 HydrophobicContact CG1-CG 4.4Å; V224-R228 VanDerWaalsContact O-CB 3.28Å; V224-R228 WeakPolarHBondContact O-CB 3.24Å; V224-R228 VanDerWaalsContact O-CG 3.31Å; V224-R228 WeakPolarHBondContact O-CG 3.22Å; V224-R228 PolarHBondContact O-N 3.45Å
225	N	85.8	Confident	70.5	Confident	104 Å²	104	87.5 Å²	87.5	56%	0.556	46%	0.459	S	S	*	.	H	α-helix	trans	-62	-47.1	178.9	-67.2	-11	0	0	0	110.8	G221 L222 K223 C227 R228 V229	G221-N225 VanDerWaalsContact O-CG 3.25Å; G221-N225 PolarHBondContact O-N 3.23Å; G221-N225 VanDerWaalsContact O-N 3.07Å; G221-N225 PolarHBondContact O-ND2 3.32Å; L222-N225 PolarHBondContact O-N 2.7Å; K223-N225 VanDerWaalsContact C-N 3.33Å; N225-C227 PolarHBondContact O-N 2.98Å; N225-R228 PolarHBondContact O-N 2.76Å; N225-V229 WeakPolarHBondContact O-CG2 3.31Å; N225-V229 PolarHBondContact O-N 3.36Å
226	D	85.7	Confident	68.7	Low	9 Å²	9	90.7 Å²	90.7	5%	0.048	48%	0.475	C	S	.	.	H	α-helix	trans	-57.4	-33	179.6	-71.5	-27.4	0	0	0	113.1	I37 I38 Y43 Y45 R54 L222 K223	I37-D226 WeakPolarHBondContact CG2-O 3.42Å; I38-D226 HydrophobicContact CD1-CB 4.44Å; I38-D226 WeakPolarHBondContact CD1-O 3.2Å; Y43-D226 VanDerWaalsContact CE1-OD1 3.27Å; Y43-D226 WeakPolarHBondContact CE1-OD1 3.01Å; Y43-D226 VanDerWaalsContact CZ-OD1 3.26Å; Y43-D226 PolarHBondContact OH-OD1 3.15Å; Y43-D226 PolarHBondContact OH-OD2 3.28Å; Y45-D226 HydrophobicContact CD1-CB 3.53Å; Y45-D226 HydrophobicContact CD2-CB 4.47Å; Y45-D226 HydrophobicContact CE1-CB 3.78Å; Y45-D226 HydrophobicContact CG-CB 3.9Å; R54-D226 IonicContact CZ-OD2 3.67Å; R54-D226 IonicContact NE-OD2 3.13Å; R54-D226 PolarHBondContact NE-OD2 3.2Å; R54-D226 VanDerWaalsContact NE-OD2 3.16Å; R54-D226 IonicContact NH2-OD2 3.8Å; R54-D226 PolarHBondContact NH2-OD2 3.07Å; L222-D226 VanDerWaalsContact O-CB 3.31Å; L222-D226 WeakPolarHBondContact O-CB 3.31Å; L222-D226 PolarHBondContact O-N 2.66Å; K223-D226 PolarHBondContact O-N 2.72Å
227	C	86.1	Confident	66.4	Low	5 Å²	5	98.1 Å²	98.1	3%	0.034	50%	0.498	C	S	.	.	H	α-helix	trans	-93.3	-19.2	-179.3	-76.7	0	0	0	0	114.2	I203 C205 K223 V224 N225	I203-C227 HydrophobicContact CG2-CB 3.81Å; C205-C227 HydrophobicContact CB-CB 3.63Å; C205-C227 WeakPolarHBondContact CB-SG 3.35Å; C205-C227 WeakPolarHBondContact SG-CB 3.5Å; C205-C227 CovalentContact SG-SG 2.03Å; C205-C227 PolarHBondContact SG-SG 3.41Å; K223-C227 WeakPolarHBondContact O-CB 3.4Å; K223-C227 PolarHBondContact O-N 2.93Å; V224-C227 PolarHBondContact O-N 3.2Å; N225-C227 PolarHBondContact O-N 2.98Å
228	R	81.1	Confident	64.6	Low	166 Å²	166	98.7 Å²	98.7	63%	0.626	50%	0.498	S	S	*	.			trans	-106.1	15.3	-178.2	-65.2	-174.6	-180	175.1	-1.5	114	V224 N225 E230	V224-R228 HydrophobicContact CG1-CG 4.4Å; V224-R228 VanDerWaalsContact O-CB 3.28Å; V224-R228 WeakPolarHBondContact O-CB 3.24Å; V224-R228 VanDerWaalsContact O-CG 3.31Å; V224-R228 WeakPolarHBondContact O-CG 3.22Å; V224-R228 PolarHBondContact O-N 3.45Å; N225-R228 PolarHBondContact O-N 2.76Å; R228-E230 VanDerWaalsContact C-N 3.26Å; R228-E230 PolarHBondContact O-N 3.28Å
229	V	67.1	Low	63.2	Low	78 Å²	78	103.7 Å²	103.7	47%	0.473	52%	0.517	S	S	.	.			trans	-63.9	95.3	171.7	173.1	0	0	0	0	108.8	I38 N225 I231	I38-V229 HydrophobicContact CD1-CB 3.64Å; I38-V229 HydrophobicContact CD1-CG1 4.41Å; I38-V229 HydrophobicContact CD1-CG2 3.23Å; I38-V229 HydrophobicContact CG1-CB 3.89Å; I38-V229 HydrophobicContact CG1-CG1 4.29Å; I38-V229 HydrophobicContact CG1-CG2 3.98Å; N225-V229 WeakPolarHBondContact O-CG2 3.31Å; N225-V229 PolarHBondContact O-N 3.36Å; V229-I231 HydrophobicContact CG1-CG1 4.32Å; V229-I231 PolarHBondContact O-N 3.4Å
230	E	56.2	Low	62.4	Low	175 Å²	175	108.5 Å²	108.5	82%	0.818	54%	0.54	S	S	*	.			trans	-64.8	112.8	151.9	-68.3	-179.4	-174.3	0	0	105.2	R228 E232	R228-E230 VanDerWaalsContact C-N 3.26Å; R228-E230 PolarHBondContact O-N 3.28Å; E230-E232 PolarHBondContact O-N 2.85Å
231	I	48.4	Very low	61.3	Low	108 Å²	108	111.1 Å²	111.1	55%	0.554	56%	0.555	S	S	*	*			trans	-65.6	97.8	166.6	-61	175	0	0	0	104.5	V229 F233	V229-I231 HydrophobicContact CG1-CG1 4.32Å; V229-I231 PolarHBondContact O-N 3.4Å; I231-F233 VanDerWaalsContact C-N 3.25Å; I231-F233 HydrophobicContact CB-CE2 4.37Å; I231-F233 HydrophobicContact CG2-CD2 4.09Å; I231-F233 HydrophobicContact CG2-CE2 4.02Å; I231-F233 HydrophobicContact CG2-CG 4.41Å; I231-F233 HydrophobicContact CG2-CZ 4.28Å; I231-F233 PolarHBondContact O-N 2.96Å
232	E	39.4	Very low	60.1	Low	177 Å²	177	115.2 Å²	115.2	83%	0.827	56%	0.564	S	S	*	*			trans	-58.2	101.1	160.9	-81.2	-166	164.8	0	0	105.9	E230 G234	E230-E232 PolarHBondContact O-N 2.85Å; E232-G234 PolarHBondContact O-N 3.43Å
233	F	41.8	Very low	58.7	Low	185 Å²	185	118.2 Å²	118.2	81%	0.811	58%	0.577	S	S	*	*			trans	-68.8	58	157.2	-74.5	-83.8	0	0	0	108	I231 C235	I231-F233 VanDerWaalsContact C-N 3.25Å; I231-F233 HydrophobicContact CB-CE2 4.37Å; I231-F233 HydrophobicContact CG2-CD2 4.09Å; I231-F233 HydrophobicContact CG2-CE2 4.02Å; I231-F233 HydrophobicContact CG2-CG 4.41Å; I231-F233 HydrophobicContact CG2-CZ 4.28Å; I231-F233 PolarHBondContact O-N 2.96Å; F233-C235 PolarHBondContact O-N 3.32Å
234	G	33.2	Very low	57	Low	50 Å²	50	125.3 Å²	125.3	52%	0.515	61%	0.612	S	S	.	*			trans	-72.4	95.1	170.7	0	0	0	0	0	107.3	E232 I236	E232-G234 PolarHBondContact O-N 3.43Å; G234-I236 VanDerWaalsContact C-N 3.34Å; G234-I236 PolarHBondContact O-N 2.62Å
235	C	39.1	Very low	55.1	Low	125 Å²	125	132.2 Å²	132.2	85%	0.845	64%	0.644	S	S	*	*			trans	-54	103.1	163.2	-72	0	0	0	0	107.6	F233 R237	F233-C235 PolarHBondContact O-N 3.32Å; C235-R237 PolarHBondContact O-N 3.29Å
236	I	41.3	Very low	52.9	Low	140 Å²	140	134.2 Å²	134.2	72%	0.718	65%	0.65	S	S	*	*			trans	-65.6	106.2	169.7	-57.2	174.4	0	0	0	105.5	G234 F238	G234-I236 VanDerWaalsContact C-N 3.34Å; G234-I236 PolarHBondContact O-N 2.62Å; I236-F238 PolarHBondContact O-N 3.39Å
237	R	32.8	Very low	50.3	Low	222 Å²	222	143.8 Å²	143.8	84%	0.838	70%	0.697	S	S	*	*			trans	-67.9	110.5	169.1	-125.2	-179.1	-166.5	177.9	4	106.3	C235 E239	C235-R237 PolarHBondContact O-N 3.29Å; R237-E239 PolarHBondContact O-N 2.86Å
238	F	40.4	Very low	47.4	Very low	190 Å²	190	155.4 Å²	155.4	83%	0.833	75%	0.752	S	S	*	*			trans	-70.7	106.8	160.1	-65.7	-82.3	0	0	0	106.2	I236	I236-F238 PolarHBondContact O-N 3.39Å
239	E	47.7	Very low	44.3	Very low	249 Å²	249	154.5 Å²	154.5	100%	1.164	76%	0.763	S	S	*	*			trans	-78.8	0	157.5	-71.2	-173.3	165.8	0	0	109.6	R237	R237-E239 PolarHBondContact O-N 2.86Å

Retrieved 239 of 239 residues in 292.3 ms (Link to these results)

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