A0AA82N7V7_SCHMA Loading...

Egg protein CP391S-like protein AlphaSync

AlphaFold DB , UniProt , Accession A0AA82N7V7, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 361 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	46.5	Very low	47.5	Very low	234 Å²	234	137.1 Å²	137.1	100%	1.153	67%	0.666	S	S	*	*				0	74.2	0	-76.2	172.9	160.9	0	0	110.7
2	R	48	Very low	48.8	Very low	226 Å²	226	132.1 Å²	132.1	85%	0.853	65%	0.65	S	S	*	*			trans	-130.1	-3.7	179.5	-91.4	-174.3	173.3	-178.3	-2	114.8
3	Y	47.8	Very low	49.9	Very low	213 Å²	213	126.5 Å²	126.5	84%	0.835	63%	0.628	S	S	*	*	S	Bend	trans	-90.9	-11.3	-175.6	-79.9	-81.9	0	0	0	114.7
4	T	50	Low	51.2	Low	109 Å²	109	129.7 Å²	129.7	67%	0.669	63%	0.631	S	S	*	*	H	α-helix	trans	-84.7	-18.4	-174.4	-7.7	0	0	0	0	114.4
5	L	41.9	Very low	51.9	Low	133 Å²	133	125.5 Å²	125.5	70%	0.696	62%	0.62	S	S	*	*	H	α-helix	trans	-84	-30	-175.7	-103.8	128.5	0	0	0	114	Q9	L5-Q9 PolarHBondContact O-N 2.87Å
6	L	47.2	Very low	52.7	Low	127 Å²	127	122 Å²	122	67%	0.665	60%	0.604	S	S	*	*	H	α-helix	trans	-70	-32.6	178.6	-89.6	138.3	0	0	0	112.6	Q9 S10	L6-Q9 PolarHBondContact O-N 2.96Å; L6-S10 PolarHBondContact O-N 2.69Å; L6-S10 VanDerWaalsContact O-N 3.12Å
7	F	42.7	Very low	53.4	Low	151 Å²	151	120.5 Å²	120.5	66%	0.662	60%	0.597	S	S	*	*	H	α-helix	trans	-71.8	-36.8	-179.9	-121.2	-86.5	0	0	0	112.6	S10 I11	F7-S10 PolarHBondContact O-OG 2.81Å; F7-I11 HydrophobicContact CD1-CD1 4.39Å; F7-I11 WeakPolarHBondContact O-CD1 3.39Å; F7-I11 VanDerWaalsContact O-CG1 3.23Å; F7-I11 WeakPolarHBondContact O-CG1 3.47Å; F7-I11 PolarHBondContact O-N 3.42Å
8	C	40.6	Very low	53.7	Low	84 Å²	84	121.3 Å²	121.3	57%	0.568	60%	0.597	S	S	*	*	H	α-helix	trans	-68.9	-35.9	175.4	-74.1	0	0	0	0	112.3	I11 T12	C8-I11 PolarHBondContact O-N 3.34Å; C8-T12 PolarHBondContact O-N 2.76Å; C8-T12 VanDerWaalsContact O-N 3.1Å; C8-T12 PolarHBondContact O-OG1 2.77Å
9	Q	45.6	Very low	54	Low	90 Å²	90	120.5 Å²	120.5	42%	0.421	59%	0.593	S	S	.	*	H	α-helix	trans	-72.1	-35.1	178.4	-71.8	-162.7	-26	0	0	112.8	L5 L6 T12 V13	L5-Q9 PolarHBondContact O-N 2.87Å; L6-Q9 PolarHBondContact O-N 2.96Å; Q9-T12 PolarHBondContact O-N 2.98Å; Q9-T12 PolarHBondContact O-OG1 2.9Å; Q9-V13 VanDerWaalsContact O-CG2 3.29Å; Q9-V13 WeakPolarHBondContact O-CG2 3.5Å; Q9-V13 PolarHBondContact O-N 2.89Å; Q9-V13 VanDerWaalsContact O-N 3.1Å
10	S	52.7	Low	54.2	Low	46 Å²	46	119 Å²	119	32%	0.322	59%	0.587	S	S	.	*	H	α-helix	trans	-64	-45	173	64.7	0	0	0	0	110.5	L6 F7 T12 V13 Y14	L6-S10 PolarHBondContact O-N 2.69Å; L6-S10 VanDerWaalsContact O-N 3.12Å; F7-S10 PolarHBondContact O-OG 2.81Å; S10-T12 VanDerWaalsContact C-N 3.35Å; S10-T12 PolarHBondContact O-N 3.01Å; S10-V13 PolarHBondContact O-N 2.81Å; S10-Y14 WeakPolarHBondContact O-CB 3.35Å; S10-Y14 WeakPolarHBondContact O-CD2 3.43Å; S10-Y14 PolarHBondContact O-N 3.41Å
11	I	59.7	Low	54.3	Low	95 Å²	95	116.2 Å²	116.2	49%	0.487	58%	0.579	S	S	.	*	H	α-helix	trans	-58.5	-44.5	177.9	-66.3	164.7	0	0	0	111.2	F7 C8 V13 Y14 S15	F7-I11 HydrophobicContact CD1-CD1 4.39Å; F7-I11 WeakPolarHBondContact O-CD1 3.39Å; F7-I11 VanDerWaalsContact O-CG1 3.23Å; F7-I11 WeakPolarHBondContact O-CG1 3.47Å; F7-I11 PolarHBondContact O-N 3.42Å; C8-I11 PolarHBondContact O-N 3.34Å; I11-V13 PolarHBondContact O-N 3.18Å; I11-Y14 PolarHBondContact O-N 3.16Å; I11-S15 WeakPolarHBondContact O-CB 3.48Å; I11-S15 PolarHBondContact O-N 3.08Å; I11-S15 PolarHBondContact O-OG 3.24Å
12	T	62.6	Low	54.5	Low	77 Å²	77	113.6 Å²	113.6	47%	0.472	56%	0.556	S	S	.	*	H	α-helix	trans	-66.7	-38.7	179.3	53.3	0	0	0	0	112.6	C8 Q9 S10 I16	C8-T12 PolarHBondContact O-N 2.76Å; C8-T12 VanDerWaalsContact O-N 3.1Å; C8-T12 PolarHBondContact O-OG1 2.77Å; Q9-T12 PolarHBondContact O-N 2.98Å; Q9-T12 PolarHBondContact O-OG1 2.9Å; S10-T12 VanDerWaalsContact C-N 3.35Å; S10-T12 PolarHBondContact O-N 3.01Å; T12-I16 WeakPolarHBondContact O-CD1 3.46Å; T12-I16 WeakPolarHBondContact O-CG1 3.41Å; T12-I16 PolarHBondContact O-N 3.41Å
13	V	63.7	Low	54.6	Low	60 Å²	60	111.1 Å²	111.1	36%	0.364	55%	0.552	S	S	.	*	H	α-helix	trans	-67.8	-44.4	177.5	173.2	0	0	0	0	110.9	Q9 S10 I11 S15 I16 I17	Q9-V13 VanDerWaalsContact O-CG2 3.29Å; Q9-V13 WeakPolarHBondContact O-CG2 3.5Å; Q9-V13 PolarHBondContact O-N 2.89Å; Q9-V13 VanDerWaalsContact O-N 3.1Å; S10-V13 PolarHBondContact O-N 2.81Å; I11-V13 PolarHBondContact O-N 3.18Å; V13-S15 PolarHBondContact O-N 3.49Å; V13-I16 PolarHBondContact O-N 3.02Å; V13-I17 HydrophobicContact CG1-CD1 3.7Å; V13-I17 HydrophobicContact CG1-CG1 4.35Å; V13-I17 VanDerWaalsContact O-CG1 3.31Å; V13-I17 WeakPolarHBondContact O-CG1 3.44Å; V13-I17 PolarHBondContact O-N 3.3Å
14	Y	67.8	Low	54.9	Low	171 Å²	171	106.7 Å²	106.7	67%	0.671	54%	0.541	S	S	*	.	H	α-helix	trans	-61.9	-42.1	175.7	-81.6	-68.6	0	0	0	111.8	S10 I11 I16 I17 F18	S10-Y14 WeakPolarHBondContact O-CB 3.35Å; S10-Y14 WeakPolarHBondContact O-CD2 3.43Å; S10-Y14 PolarHBondContact O-N 3.41Å; I11-Y14 PolarHBondContact O-N 3.16Å; Y14-I16 PolarHBondContact O-N 2.99Å; Y14-I17 PolarHBondContact O-N 2.6Å; Y14-F18 WeakPolarHBondContact O-CB 3.5Å; Y14-F18 PolarHBondContact O-N 3.05Å
15	S	61.6	Low	55.4	Low	66 Å²	66	107.2 Å²	107.2	46%	0.462	53%	0.534	S	S	.	.	H	α-helix	trans	-63.2	-40	175.8	-65.8	0	0	0	0	112.5	I11 V13 M19	I11-S15 WeakPolarHBondContact O-CB 3.48Å; I11-S15 PolarHBondContact O-N 3.08Å; I11-S15 PolarHBondContact O-OG 3.24Å; V13-S15 PolarHBondContact O-N 3.49Å; S15-M19 WeakPolarHBondContact O-CB 3.34Å; S15-M19 WeakPolarHBondContact O-CG 3.02Å; S15-M19 PolarHBondContact O-N 2.78Å
16	I	65.5	Low	56.7	Low	70 Å²	70	105.1 Å²	105.1	36%	0.359	53%	0.53	S	S	.	.	H	α-helix	trans	-68	-45.8	177	-68.7	164.5	0	0	0	110.7	T12 V13 Y14 F18 M19 I20	T12-I16 WeakPolarHBondContact O-CD1 3.46Å; T12-I16 WeakPolarHBondContact O-CG1 3.41Å; T12-I16 PolarHBondContact O-N 3.41Å; V13-I16 PolarHBondContact O-N 3.02Å; Y14-I16 PolarHBondContact O-N 2.99Å; I16-F18 VanDerWaalsContact C-N 3.33Å; I16-F18 PolarHBondContact O-N 3.06Å; I16-M19 PolarHBondContact O-N 3.49Å; I16-I20 HydrophobicContact CG2-CD1 3.68Å; I16-I20 HydrophobicContact CG2-CG1 4.39Å; I16-I20 VanDerWaalsContact O-CG1 3.26Å; I16-I20 WeakPolarHBondContact O-CG1 3.42Å; I16-I20 PolarHBondContact O-N 3.1Å
17	I	64	Low	58.4	Low	97 Å²	97	100.7 Å²	100.7	50%	0.497	51%	0.507	S	S	.	.	H	α-helix	trans	-61.5	-44	176.9	-67.8	169.6	0	0	0	110.3	V13 Y14 M19 I20 S21	V13-I17 HydrophobicContact CG1-CD1 3.7Å; V13-I17 HydrophobicContact CG1-CG1 4.35Å; V13-I17 VanDerWaalsContact O-CG1 3.31Å; V13-I17 WeakPolarHBondContact O-CG1 3.44Å; V13-I17 PolarHBondContact O-N 3.3Å; Y14-I17 PolarHBondContact O-N 2.6Å; I17-M19 PolarHBondContact O-N 3.05Å; I17-I20 PolarHBondContact O-N 3.32Å; I17-S21 WeakPolarHBondContact O-CB 3.34Å; I17-S21 PolarHBondContact O-N 3.15Å; I17-S21 PolarHBondContact O-OG 2.81Å
18	F	59.7	Low	60.5	Low	134 Å²	134	97.4 Å²	97.4	59%	0.588	49%	0.494	S	S	*	.	H	α-helix	trans	-62.1	-42.8	177.7	-177.3	-98.9	0	0	0	112	Y14 I16 S21 R22	Y14-F18 WeakPolarHBondContact O-CB 3.5Å; Y14-F18 PolarHBondContact O-N 3.05Å; I16-F18 VanDerWaalsContact C-N 3.33Å; I16-F18 PolarHBondContact O-N 3.06Å; F18-S21 VanDerWaalsContact CA-OG 3.31Å; F18-S21 WeakPolarHBondContact CA-OG 3.45Å; F18-S21 PolarHBondContact O-N 3.47Å; F18-S21 PolarHBondContact O-OG 2.78Å; F18-R22 WeakPolarHBondContact O-CB 3.38Å; F18-R22 PolarHBondContact O-N 3.18Å
19	M	57.9	Low	62.8	Low	107 Å²	107	93.5 Å²	93.5	53%	0.527	47%	0.467	S	S	.	.	H	α-helix	trans	-61.5	-49.5	174.1	-72.7	-81.4	-78.6	0	0	110.7	S15 I16 I17 S21 R22 F23	S15-M19 WeakPolarHBondContact O-CB 3.34Å; S15-M19 WeakPolarHBondContact O-CG 3.02Å; S15-M19 PolarHBondContact O-N 2.78Å; I16-M19 PolarHBondContact O-N 3.49Å; I17-M19 PolarHBondContact O-N 3.05Å; M19-S21 PolarHBondContact O-N 2.9Å; M19-R22 WeakPolarHBondContact O-CB 3.48Å; M19-R22 PolarHBondContact O-N 2.68Å; M19-R22 VanDerWaalsContact O-N 3.16Å; M19-F23 WeakPolarHBondContact O-CD2 3.16Å; M19-F23 PolarHBondContact O-N 2.91Å; M19-F23 VanDerWaalsContact O-N 3.12Å
20	I	58.2	Low	64.8	Low	90 Å²	90	91 Å²	91	46%	0.462	46%	0.459	S	S	.	.	H	α-helix	trans	-61.6	-42.6	178.5	-66	167	0	0	0	111.1	I16 I17 R22 F23 I24	I16-I20 HydrophobicContact CG2-CD1 3.68Å; I16-I20 HydrophobicContact CG2-CG1 4.39Å; I16-I20 VanDerWaalsContact O-CG1 3.26Å; I16-I20 WeakPolarHBondContact O-CG1 3.42Å; I16-I20 PolarHBondContact O-N 3.1Å; I17-I20 PolarHBondContact O-N 3.32Å; I20-R22 VanDerWaalsContact C-N 3.26Å; I20-R22 PolarHBondContact O-N 2.83Å; I20-F23 WeakPolarHBondContact O-CB 3.38Å; I20-F23 PolarHBondContact O-N 2.86Å; I20-F23 VanDerWaalsContact O-N 3.08Å; I20-I24 HydrophobicContact CG2-CD1 3.84Å; I20-I24 WeakPolarHBondContact O-CG1 3.41Å; I20-I24 PolarHBondContact O-N 3.12Å; I20-I24 VanDerWaalsContact O-N 3.09Å
21	S	56.1	Low	66.4	Low	61 Å²	61	93.3 Å²	93.3	43%	0.427	47%	0.471	S	S	.	.	H	α-helix	trans	-64.8	-33.4	177.4	58.7	0	0	0	0	112.2	I17 F18 M19 F23 I24	I17-S21 WeakPolarHBondContact O-CB 3.34Å; I17-S21 PolarHBondContact O-N 3.15Å; I17-S21 PolarHBondContact O-OG 2.81Å; F18-S21 VanDerWaalsContact CA-OG 3.31Å; F18-S21 WeakPolarHBondContact CA-OG 3.45Å; F18-S21 PolarHBondContact O-N 3.47Å; F18-S21 PolarHBondContact O-OG 2.78Å; M19-S21 PolarHBondContact O-N 2.9Å; S21-F23 VanDerWaalsContact C-N 3.26Å; S21-F23 PolarHBondContact O-N 3.14Å; S21-I24 CarbonylContact O-C 3.55Å; S21-I24 PolarHBondContact O-N 2.94Å
22	R	52	Low	67.8	Low	179 Å²	179	92.7 Å²	92.7	68%	0.675	47%	0.465	S	S	*	.	H	α-helix	trans	-67.9	-29.9	175.1	-163.3	179.5	168.2	-172.8	-4.2	111.7	F18 M19 I20	F18-R22 WeakPolarHBondContact O-CB 3.38Å; F18-R22 PolarHBondContact O-N 3.18Å; M19-R22 WeakPolarHBondContact O-CB 3.48Å; M19-R22 PolarHBondContact O-N 2.68Å; M19-R22 VanDerWaalsContact O-N 3.16Å; I20-R22 VanDerWaalsContact C-N 3.26Å; I20-R22 PolarHBondContact O-N 2.83Å
23	F	48.9	Very low	68.9	Low	174 Å²	174	92.8 Å²	92.8	76%	0.763	47%	0.467	S	S	*	.	H	α-helix	trans	-77.4	-20.2	172.1	-78.2	-71.9	0	0	0	113.8	M19 I20 S21	M19-F23 WeakPolarHBondContact O-CD2 3.16Å; M19-F23 PolarHBondContact O-N 2.91Å; M19-F23 VanDerWaalsContact O-N 3.12Å; I20-F23 WeakPolarHBondContact O-CB 3.38Å; I20-F23 PolarHBondContact O-N 2.86Å; I20-F23 VanDerWaalsContact O-N 3.08Å; S21-F23 VanDerWaalsContact C-N 3.26Å; S21-F23 PolarHBondContact O-N 3.14Å
24	I	54.1	Low	70.2	Confident	119 Å²	119	95.9 Å²	95.9	61%	0.61	48%	0.478	S	S	*	.			trans	-113	57.8	179.9	-48.4	170.8	0	0	0	109.3	I20 S21 C26	I20-I24 HydrophobicContact CG2-CD1 3.84Å; I20-I24 WeakPolarHBondContact O-CG1 3.41Å; I20-I24 PolarHBondContact O-N 3.12Å; I20-I24 VanDerWaalsContact O-N 3.09Å; S21-I24 CarbonylContact O-C 3.55Å; S21-I24 PolarHBondContact O-N 2.94Å; I24-C26 VanDerWaalsContact C-N 3.29Å; I24-C26 PolarHBondContact O-N 3.21Å; I24-C26 VanDerWaalsContact O-N 3.13Å
25	K	60.5	Low	71.4	Confident	120 Å²	120	88.7 Å²	88.7	52%	0.522	45%	0.451	S	S	.	.			trans	-77.8	87.4	159.3	-80.9	-164.5	173.3	-160.1	0	107.9	N27 D92	K25-N27 PolarHBondContact O-N 3.25Å; K25-D92 IonicContact NZ-OD2 2.58Å; K25-D92 PolarHBondContact NZ-OD2 2.81Å
26	C	70.4	Confident	72.9	Confident	90 Å²	90	87.1 Å²	87.1	61%	0.608	44%	0.435	S	S	*	.			trans	-83	98.9	169.6	-168.7	0	0	0	0	108	I24	I24-C26 VanDerWaalsContact C-N 3.29Å; I24-C26 PolarHBondContact O-N 3.21Å; I24-C26 VanDerWaalsContact O-N 3.13Å
27	N	82.2	Confident	74.3	Confident	33 Å²	33	90.4 Å²	90.4	18%	0.176	44%	0.444	C	S	.	.			trans	-67	137.2	172.7	-63.4	-52.5	0	0	0	108.9	K25 I29 C30 F191	K25-N27 PolarHBondContact O-N 3.25Å; N27-I29 HydrophobicContact CB-CG2 3.96Å; N27-I29 PolarHBondContact O-N 3.43Å; N27-C30 WeakPolarHBondContact O-CB 3.47Å; N27-C30 PolarHBondContact O-N 2.88Å; N27-F191 HydrophobicContact CB-CD1 4.08Å; N27-F191 HydrophobicContact CB-CG 4.47Å; N27-F191 WeakPolarHBondContact ND2-CD1 3.38Å
28	E	86.2	Confident	75.7	Confident	83 Å²	83	89.6 Å²	89.6	39%	0.388	44%	0.436	S	S	.	.	G	3₁₀ helix	trans	-57.6	-36.8	-175.5	-173.5	179.3	-178.3	0	0	111.9	C30 T31 K32 L35 Y54	E28-C30 PolarHBondContact O-N 3.16Å; E28-T31 PolarHBondContact O-N 3.07Å; E28-T31 PolarHBondContact O-OG1 3.17Å; E28-K32 HydrophobicContact CG-CD 4.02Å; E28-K32 PolarHBondContact O-N 2.66Å; E28-K32 VanDerWaalsContact O-N 3.14Å; E28-K32 WeakPolarHBondContact OE1-CE 3.5Å; E28-K32 IonicContact OE1-NZ 3.9Å; E28-K32 PolarHBondContact OE1-NZ 2.94Å; E28-L35 HydrophobicContact CB-CD1 4.17Å; E28-L35 HydrophobicContact CG-CD1 3.67Å; E28-Y54 HydrophobicContact CB-CE2 4.2Å; E28-Y54 PolarHBondContact N-OH 3.01Å
29	I	88.5	Confident	77.4	Confident	1 Å²	1	86.7 Å²	86.7	1%	0.005	43%	0.429	C	S	.	.	G	3₁₀ helix	trans	-54.6	-31.8	175.5	-163.7	161.5	0	0	0	113.6	N27 T31 K32 L35 Y54 F191 E200 W201 A202	N27-I29 HydrophobicContact CB-CG2 3.96Å; N27-I29 PolarHBondContact O-N 3.43Å; I29-T31 PolarHBondContact O-N 2.93Å; I29-T31 VanDerWaalsContact O-N 3.12Å; I29-K32 CarbonylContact O-C 3.58Å; I29-K32 PolarHBondContact O-N 2.76Å; I29-L35 HydrophobicContact CG1-CB 4.22Å; I29-Y54 HydrophobicContact CB-CE1 3.85Å; I29-Y54 HydrophobicContact CB-CE2 4.31Å; I29-Y54 HydrophobicContact CD1-CD1 4.14Å; I29-Y54 HydrophobicContact CD1-CE1 4.08Å; I29-Y54 HydrophobicContact CG2-CE1 4.07Å; I29-Y54 PolarHBondContact N-OH 2.85Å; I29-F191 HydrophobicContact CD1-CD2 4.43Å; I29-F191 HydrophobicContact CD1-CE2 4.47Å; I29-F191 HydrophobicContact CG2-CB 4.07Å; I29-F191 HydrophobicContact CG2-CD2 3.79Å; I29-F191 HydrophobicContact CG2-CE2 4.33Å; I29-F191 HydrophobicContact CG2-CG 3.9Å; I29-E200 HydrophobicContact CG1-CB 4.43Å; I29-E200 HydrophobicContact CG2-CB 4.46Å; I29-W201 VanDerWaalsContact CD1-O 3.27Å; I29-W201 WeakPolarHBondContact CD1-O 3.36Å; I29-A202 HydrophobicContact CD1-CB 3.82Å
30	C	87.8	Confident	79.2	Confident	39 Å²	39	85.1 Å²	85.1	26%	0.264	42%	0.419	S	S	.	.	G	3₁₀ helix	trans	-63.8	-18.9	176.3	-62.2	0	0	0	0	113.4	N27 E28 C193	N27-C30 WeakPolarHBondContact O-CB 3.47Å; N27-C30 PolarHBondContact O-N 2.88Å; E28-C30 PolarHBondContact O-N 3.16Å; C30-C193 WeakPolarHBondContact CA-SG 3.39Å; C30-C193 HydrophobicContact CB-CB 3.58Å; C30-C193 WeakPolarHBondContact CB-SG 2.85Å; C30-C193 VanDerWaalsContact SG-CA 3.55Å; C30-C193 WeakPolarHBondContact SG-CB 3.23Å; C30-C193 CovalentContact SG-SG 2.03Å; C30-C193 PolarHBondContact SG-SG 2.95Å
31	T	87.5	Confident	81	Confident	93 Å²	93	84 Å²	84	57%	0.571	42%	0.416	S	S	*	.	T	Hydrogen-bonded Turn	trans	-111	-11.2	178.3	62	0	0	0	0	113.2	E28 I29	E28-T31 PolarHBondContact O-N 3.07Å; E28-T31 PolarHBondContact O-OG1 3.17Å; I29-T31 PolarHBondContact O-N 2.93Å; I29-T31 VanDerWaalsContact O-N 3.12Å
32	K	89.6	Confident	82.8	Confident	82 Å²	82	81.7 Å²	81.7	36%	0.357	40%	0.399	S	S	.	.			trans	-138.5	80.2	-172.4	-69	-171	-172.6	171.9	0	109.9	E28 I29 E34 L35	E28-K32 HydrophobicContact CG-CD 4.02Å; E28-K32 PolarHBondContact O-N 2.66Å; E28-K32 VanDerWaalsContact O-N 3.14Å; E28-K32 WeakPolarHBondContact OE1-CE 3.5Å; E28-K32 IonicContact OE1-NZ 3.9Å; E28-K32 PolarHBondContact OE1-NZ 2.94Å; I29-K32 CarbonylContact O-C 3.58Å; I29-K32 PolarHBondContact O-N 2.76Å; K32-E34 VanDerWaalsContact CA-OE2 3.28Å; K32-E34 WeakPolarHBondContact CA-OE2 3.37Å; K32-E34 PolarHBondContact O-N 3.42Å; K32-E34 VanDerWaalsContact O-N 3.12Å; K32-L35 HydrophobicContact CB-CD1 3.73Å; K32-L35 HydrophobicContact CB-CG 3.87Å; K32-L35 HydrophobicContact CD-CD1 4.11Å; K32-L35 WeakPolarHBondContact O-CB 3.4Å; K32-L35 PolarHBondContact O-N 2.91Å
33	P	85.5	Confident	84.8	Confident	79 Å²	79	74.1 Å²	74.1	51%	0.513	37%	0.371	S	S	.	.	G	3₁₀ helix	trans	-62.4	-19.4	-177.5	26.2	-35.1	0	0	0	113.1	L35 K36	P33-L35 PolarHBondContact O-N 2.88Å; P33-K36 VanDerWaalsContact O-CB 3.25Å; P33-K36 WeakPolarHBondContact O-CB 3.45Å; P33-K36 PolarHBondContact O-N 3.07Å
34	E	91	Very high	87	Confident	126 Å²	126	70.4 Å²	70.4	59%	0.589	36%	0.356	S	S	*	.	G	3₁₀ helix	trans	-62	-17.9	172.8	68.4	-87	-159.1	0	0	113.8	K32 K36	K32-E34 VanDerWaalsContact CA-OE2 3.28Å; K32-E34 WeakPolarHBondContact CA-OE2 3.37Å; K32-E34 PolarHBondContact O-N 3.42Å; K32-E34 VanDerWaalsContact O-N 3.12Å; E34-K36 PolarHBondContact O-N 2.98Å
35	L	92.5	Very high	88.9	Confident	19 Å²	19	67.6 Å²	67.6	10%	0.099	34%	0.342	C	S	.	.	G	3₁₀ helix	trans	-74.6	-14.4	179.3	-64.9	179.4	0	0	0	113.8	E28 I29 K32 P33 Y37 Y38 Y54	E28-L35 HydrophobicContact CB-CD1 4.17Å; E28-L35 HydrophobicContact CG-CD1 3.67Å; I29-L35 HydrophobicContact CG1-CB 4.22Å; K32-L35 HydrophobicContact CB-CD1 3.73Å; K32-L35 HydrophobicContact CB-CG 3.87Å; K32-L35 HydrophobicContact CD-CD1 4.11Å; K32-L35 WeakPolarHBondContact O-CB 3.4Å; K32-L35 PolarHBondContact O-N 2.91Å; P33-L35 PolarHBondContact O-N 2.88Å; L35-Y37 VanDerWaalsContact C-N 3.31Å; L35-Y37 PolarHBondContact O-N 2.85Å; L35-Y38 HydrophobicContact CD2-CD2 4.33Å; L35-Y38 HydrophobicContact CD2-CG 4.12Å; L35-Y38 PolarHBondContact O-N 2.9Å; L35-Y54 HydrophobicContact CB-CD2 3.78Å; L35-Y54 HydrophobicContact CB-CE2 4.28Å; L35-Y54 HydrophobicContact CB-CG 4.14Å; L35-Y54 HydrophobicContact CD1-CD2 3.71Å; L35-Y54 HydrophobicContact CD1-CE2 3.62Å; L35-Y54 HydrophobicContact CD2-CD2 4.36Å; L35-Y54 HydrophobicContact CG-CD2 4.16Å; L35-Y54 WeakPolarHBondContact O-CB 3.5Å
36	K	93.1	Very high	90.6	Very high	33 Å²	33	69.2 Å²	69.2	14%	0.143	36%	0.357	C	S	.	.	G	3₁₀ helix	trans	-52.5	-43.2	-179.6	177.4	170.5	-163.7	155.7	0	114.6	P33 E34 W201 E203	P33-K36 VanDerWaalsContact O-CB 3.25Å; P33-K36 WeakPolarHBondContact O-CB 3.45Å; P33-K36 PolarHBondContact O-N 3.07Å; E34-K36 PolarHBondContact O-N 2.98Å; K36-W201 VanDerWaalsContact CE-CZ2 3.43Å; K36-W201 WeakPolarHBondContact CG-O 3.44Å; K36-W201 VanDerWaalsContact NZ-CH2 3.25Å; K36-E203 PolarHBondContact O-N 2.94Å
37	Y	93.8	Very high	91.8	Very high	139 Å²	139	67.7 Å²	67.7	55%	0.545	35%	0.347	S	S	.	.	G	3₁₀ helix	trans	-122.2	27.7	179	-54.7	-68	0	0	0	110.9	L35 T39 E203	L35-Y37 VanDerWaalsContact C-N 3.31Å; L35-Y37 PolarHBondContact O-N 2.85Å; Y37-T39 PolarHBondContact O-N 2.88Å; Y37-E203 HydrophobicContact CD1-CB 4.04Å; Y37-E203 HydrophobicContact CE1-CB 4.01Å
38	Y	94.7	Very high	92.4	Very high	81 Å²	81	69.1 Å²	69.1	32%	0.318	35%	0.35	S	S	.	.			trans	-68	124	-177.3	171.4	-94.4	0	0	0	109.9	L35 K40 H52 N53 Y54	L35-Y38 HydrophobicContact CD2-CD2 4.33Å; L35-Y38 HydrophobicContact CD2-CG 4.12Å; L35-Y38 PolarHBondContact O-N 2.9Å; Y38-K40 HydrophobicContact CE1-CB 4.4Å; Y38-K40 HydrophobicContact CE2-CB 4.45Å; Y38-K40 WeakPolarHBondContact OH-CB 3.38Å; Y38-H52 HydrophobicContact CE1-CB 4.43Å; Y38-N53 WeakPolarHBondContact O-CA 3.36Å; Y38-N53 PolarHBondContact O-OD1 2.88Å; Y38-Y54 PolarHBondContact O-N 3.28Å
39	T	96	Very high	92.9	Very high	72 Å²	72	65.3 Å²	65.3	44%	0.442	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	132.7	170.5	-53.7	0	0	0	0	109.3	Y37 H52 N53	Y37-T39 PolarHBondContact O-N 2.88Å; T39-H52 CarbonylContact C-O 3.53Å; T39-H52 VanDerWaalsContact CA-O 3.24Å; T39-H52 WeakPolarHBondContact CA-O 3.5Å; T39-N53 WeakPolarHBondContact CB-OD1 3.49Å; T39-N53 WeakPolarHBondContact CG2-OD1 3.25Å; T39-N53 PolarHBondContact OG1-OD1 2.76Å
40	K	95.3	Very high	93.3	Very high	75 Å²	75	65.3 Å²	65.3	33%	0.326	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	114.1	172.2	178.2	165.9	162.8	-168.1	0	110.3	Y38 I42 S51 H52 S250 I252	Y38-K40 HydrophobicContact CE1-CB 4.4Å; Y38-K40 HydrophobicContact CE2-CB 4.45Å; Y38-K40 WeakPolarHBondContact OH-CB 3.38Å; K40-I42 HydrophobicContact CG-CD1 4.35Å; K40-I42 PolarHBondContact O-N 2.93Å; K40-S51 CarbonylContact O-C 3.57Å; K40-S51 VanDerWaalsContact O-CA 3.29Å; K40-S51 WeakPolarHBondContact O-CA 2.99Å; K40-S51 WeakPolarHBondContact O-CB 3.39Å; K40-H52 PolarHBondContact N-O 2.56Å; K40-H52 PolarHBondContact O-N 3.2Å; K40-S250 WeakPolarHBondContact CE-O 3.47Å; K40-S250 PolarHBondContact NZ-O 3.19Å; K40-I252 HydrophobicContact CD-CD1 3.51Å; K40-I252 VanDerWaalsContact CE-CD1 3.45Å; K40-I252 HydrophobicContact CG-CD1 4.22Å; K40-I252 VanDerWaalsContact NZ-CD1 3.3Å
41	V	95.6	Very high	93.7	Very high	65 Å²	65	63.4 Å²	63.4	39%	0.394	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.4	127.1	173.4	-178.6	0	0	0	0	109.2	E44 E49	V41-E44 HydrophobicContact CG1-CB 4.02Å; V41-E49 HydrophobicContact CG1-CG 4.01Å; V41-E49 HydrophobicContact CG2-CG 4.44Å
42	I	94.6	Very high	94.1	Very high	13 Å²	13	59.3 Å²	59.3	7%	0.067	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	-50.5	-179.5	-54	-57.1	0	0	0	109.6	K40 Y50 C247 I252	K40-I42 HydrophobicContact CG-CD1 4.35Å; K40-I42 PolarHBondContact O-N 2.93Å; I42-Y50 HydrophobicContact CB-CD1 3.83Å; I42-Y50 HydrophobicContact CB-CE1 4.49Å; I42-Y50 WeakPolarHBondContact CB-O 3.27Å; I42-Y50 HydrophobicContact CG1-CD1 3.96Å; I42-Y50 HydrophobicContact CG1-CE1 4.22Å; I42-Y50 HydrophobicContact CG2-CD1 4.16Å; I42-Y50 PolarHBondContact N-O 3.07Å; I42-C247 HydrophobicContact CG2-CB 3.97Å; I42-I252 HydrophobicContact CD1-CB 4.26Å; I42-I252 HydrophobicContact CD1-CD1 3.71Å; I42-I252 HydrophobicContact CD1-CG2 4.14Å
43	F	94	Very high	94.4	Very high	20 Å²	20	55.5 Å²	55.5	9%	0.088	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.6	150.6	173.7	58.9	-103.4	0	0	0	110.3	Y48 Y50 F264 G268	F43-Y48 HydrophobicContact CD2-CD2 4.01Å; F43-Y48 AromaticContact CD2-CE2 3.67Å; F43-Y48 HydrophobicContact CD2-CE2 3.67Å; F43-Y48 HydrophobicContact CE2-CD2 4.01Å; F43-Y48 AromaticContact CE2-CE2 3.88Å; F43-Y48 HydrophobicContact CE2-CE2 3.88Å; F43-Y50 HydrophobicContact CD1-CD1 4.07Å; F43-Y50 AromaticContact CE1-CD1 3.43Å; F43-Y50 HydrophobicContact CE1-CD1 3.43Å; F43-Y50 VanDerWaalsContact CE1-CD1 3.43Å; F43-Y50 HydrophobicContact CE1-CE1 4.39Å; F43-Y50 AromaticContact CE1-CG 3.79Å; F43-Y50 HydrophobicContact CE1-CG 3.79Å; F43-Y50 HydrophobicContact CE2-CG 4.28Å; F43-Y50 AromaticContact CZ-CD1 3.82Å; F43-Y50 HydrophobicContact CZ-CD1 3.82Å; F43-Y50 AromaticContact CZ-CG 3.67Å; F43-Y50 HydrophobicContact CZ-CG 3.67Å; F43-Y50 PolarHBondContact N-O 2.65Å; F43-Y50 PolarHBondContact O-N 2.97Å; F43-F264 HydrophobicContact CE2-CD1 4.43Å; F43-F264 AromaticContact CE2-CE1 3.54Å; F43-F264 HydrophobicContact CE2-CE1 3.54Å; F43-F264 HydrophobicContact CE2-CZ 4.01Å; F43-F264 HydrophobicContact CZ-CD1 4.24Å; F43-F264 AromaticContact CZ-CE1 3.74Å; F43-F264 HydrophobicContact CZ-CE1 3.74Å; F43-G268 WeakPolarHBondContact CD1-O 3.38Å
44	E	94.9	Very high	94.8	Very high	97 Å²	97	53 Å²	53	45%	0.453	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.8	147.5	-176.3	-175.8	-177.2	155.1	0	0	109.2	V41 Y48 E49 K209 W210	V41-E44 HydrophobicContact CG1-CB 4.02Å; E44-Y48 WeakPolarHBondContact CA-O 3.23Å; E44-E49 HydrophobicContact CB-CG 4.21Å; E44-E49 HydrophobicContact CG-CB 4.18Å; E44-E49 HydrophobicContact CG-CG 4.09Å; E44-K209 IonicContact OE1-NZ 3.07Å; E44-K209 PolarHBondContact OE1-NZ 3.37Å; E44-K209 IonicContact OE2-NZ 2.56Å; E44-K209 PolarHBondContact OE2-NZ 2.94Å; E44-K209 VanDerWaalsContact OE2-NZ 3.07Å; E44-W210 HydrophobicContact CG-CZ2 4.02Å
45	N	93.8	Very high	94.9	Very high	59 Å²	59	49.3 Å²	49.3	32%	0.316	24%	0.239	S	C	.	.			trans	-142.2	-166.9	161.7	76.7	-0.9	0	0	0	110.2	S47 Y48 W210	N45-S47 PolarHBondContact O-N 2.78Å; N45-S47 VanDerWaalsContact O-N 3.15Å; N45-S47 WeakPolarHBondContact OD1-CA 3.26Å; N45-S47 PolarHBondContact OD1-N 2.81Å; N45-Y48 HydrophobicContact CB-CE2 4.26Å; N45-Y48 VanDerWaalsContact CG-CE1 3.41Å; N45-Y48 VanDerWaalsContact CG-CZ 3.43Å; N45-Y48 PolarHBondContact N-O 3.15Å; N45-Y48 WeakPolarHBondContact ND2-CD1 3.44Å; N45-Y48 WeakPolarHBondContact ND2-CE1 3.29Å; N45-Y48 PolarHBondContact ND2-OH 2.81Å; N45-Y48 WeakPolarHBondContact OD1-CD1 3.34Å; N45-Y48 WeakPolarHBondContact OD1-CE1 3.09Å; N45-Y48 VanDerWaalsContact OD1-CG 3.24Å; N45-Y48 PolarHBondContact OD1-N 3.22Å; N45-W210 WeakPolarHBondContact O-CH2 3.12Å
46	D	95.2	Very high	95.1	Very high	155 Å²	155	48.4 Å²	48.4	83%	0.829	23%	0.234	S	C	*	.	S	Bend	trans	-68.1	-11.1	-178.5	-61.2	-25.1	0	0	0	114.9	L62	D46-L62 WeakPolarHBondContact O-CD1 3.41Å
47	S	95.7	Very high	95.2	Very high	58 Å²	58	46.9 Å²	46.9	41%	0.406	23%	0.228	S	C	.	.	S	Bend	trans	-125	-11.5	-172.5	-62.6	0	0	0	0	114.8	N45 L62	N45-S47 PolarHBondContact O-N 2.78Å; N45-S47 VanDerWaalsContact O-N 3.15Å; N45-S47 WeakPolarHBondContact OD1-CA 3.26Å; N45-S47 PolarHBondContact OD1-N 2.81Å; S47-L62 PolarHBondContact O-N 3.07Å
48	Y	95.2	Very high	95.4	Very high	62 Å²	62	40.2 Å²	40.2	24%	0.243	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.2	157.8	178.7	58.7	-109.8	0	0	0	112.9	F43 E44 N45 I60 F264	F43-Y48 HydrophobicContact CD2-CD2 4.01Å; F43-Y48 AromaticContact CD2-CE2 3.67Å; F43-Y48 HydrophobicContact CD2-CE2 3.67Å; F43-Y48 HydrophobicContact CE2-CD2 4.01Å; F43-Y48 AromaticContact CE2-CE2 3.88Å; F43-Y48 HydrophobicContact CE2-CE2 3.88Å; E44-Y48 WeakPolarHBondContact CA-O 3.23Å; N45-Y48 HydrophobicContact CB-CE2 4.26Å; N45-Y48 VanDerWaalsContact CG-CE1 3.41Å; N45-Y48 VanDerWaalsContact CG-CZ 3.43Å; N45-Y48 PolarHBondContact N-O 3.15Å; N45-Y48 WeakPolarHBondContact ND2-CD1 3.44Å; N45-Y48 WeakPolarHBondContact ND2-CE1 3.29Å; N45-Y48 PolarHBondContact ND2-OH 2.81Å; N45-Y48 WeakPolarHBondContact OD1-CD1 3.34Å; N45-Y48 WeakPolarHBondContact OD1-CE1 3.09Å; N45-Y48 VanDerWaalsContact OD1-CG 3.24Å; N45-Y48 PolarHBondContact OD1-N 3.22Å; Y48-I60 CarbonylContact C-O 3.42Å; Y48-I60 WeakPolarHBondContact CA-O 3.42Å; Y48-I60 WeakPolarHBondContact CB-O 3.42Å; Y48-F264 AromaticContact CD1-CE2 3.85Å; Y48-F264 HydrophobicContact CD1-CE2 3.85Å; Y48-F264 AromaticContact CD1-CZ 3.79Å; Y48-F264 HydrophobicContact CD1-CZ 3.79Å; Y48-F264 HydrophobicContact CD2-CE1 4.48Å; Y48-F264 HydrophobicContact CD2-CE2 4.47Å; Y48-F264 AromaticContact CD2-CZ 3.64Å; Y48-F264 HydrophobicContact CD2-CZ 3.64Å; Y48-F264 HydrophobicContact CE1-CE2 4.04Å; Y48-F264 HydrophobicContact CE1-CZ 4.14Å; Y48-F264 HydrophobicContact CE2-CZ 4.06Å; Y48-F264 HydrophobicContact CG-CE2 4.07Å; Y48-F264 AromaticContact CG-CZ 3.52Å; Y48-F264 HydrophobicContact CG-CZ 3.52Å
49	E	96.9	Very high	95.5	Very high	4 Å²	4	36.4 Å²	36.4	2%	0.019	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	136.6	170.8	-170.3	-176.4	103.9	0	0	109	V41 E44 I60 K209 W210	V41-E49 HydrophobicContact CG1-CG 4.01Å; V41-E49 HydrophobicContact CG2-CG 4.44Å; E44-E49 HydrophobicContact CB-CG 4.21Å; E44-E49 HydrophobicContact CG-CB 4.18Å; E44-E49 HydrophobicContact CG-CG 4.09Å; E49-I60 HydrophobicContact CB-CB 4.2Å; E49-I60 HydrophobicContact CB-CD1 4.31Å; E49-I60 HydrophobicContact CB-CG1 4.48Å; E49-I60 PolarHBondContact N-O 3.4Å; E49-I60 VanDerWaalsContact N-O 3.08Å; E49-I60 PolarHBondContact O-N 2.73Å; E49-K209 VanDerWaalsContact OE2-CE 3.27Å; E49-K209 WeakPolarHBondContact OE2-CE 3.39Å; E49-K209 IonicContact OE2-NZ 2.65Å; E49-K209 PolarHBondContact OE2-NZ 3.43Å; E49-W210 HydrophobicContact CB-CH2 4.47Å; E49-W210 HydrophobicContact CB-CZ2 3.63Å; E49-W210 PolarHBondContact OE2-NE1 3.27Å
50	Y	96.7	Very high	95.6	Very high	0 Å²	0	33 Å²	33	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	122.8	167.8	-173.8	-116.4	0	0	0	109.7	I42 F43 H52 S57 Q58 L59 T254 K265	I42-Y50 HydrophobicContact CB-CD1 3.83Å; I42-Y50 HydrophobicContact CB-CE1 4.49Å; I42-Y50 WeakPolarHBondContact CB-O 3.27Å; I42-Y50 HydrophobicContact CG1-CD1 3.96Å; I42-Y50 HydrophobicContact CG1-CE1 4.22Å; I42-Y50 HydrophobicContact CG2-CD1 4.16Å; I42-Y50 PolarHBondContact N-O 3.07Å; F43-Y50 HydrophobicContact CD1-CD1 4.07Å; F43-Y50 AromaticContact CE1-CD1 3.43Å; F43-Y50 HydrophobicContact CE1-CD1 3.43Å; F43-Y50 VanDerWaalsContact CE1-CD1 3.43Å; F43-Y50 HydrophobicContact CE1-CE1 4.39Å; F43-Y50 AromaticContact CE1-CG 3.79Å; F43-Y50 HydrophobicContact CE1-CG 3.79Å; F43-Y50 HydrophobicContact CE2-CG 4.28Å; F43-Y50 AromaticContact CZ-CD1 3.82Å; F43-Y50 HydrophobicContact CZ-CD1 3.82Å; F43-Y50 AromaticContact CZ-CG 3.67Å; F43-Y50 HydrophobicContact CZ-CG 3.67Å; F43-Y50 PolarHBondContact N-O 2.65Å; F43-Y50 PolarHBondContact O-N 2.97Å; Y50-H52 AromaticContact CE1-NE2 3.97Å; Y50-S57 VanDerWaalsContact OH-CB 3.25Å; Y50-S57 WeakPolarHBondContact OH-CB 3.35Å; Y50-S57 PolarHBondContact OH-OG 3.27Å; Y50-Q58 WeakPolarHBondContact CA-O 3.34Å; Y50-Q58 VanDerWaalsContact CD2-O 3.28Å; Y50-Q58 WeakPolarHBondContact CD2-O 3.45Å; Y50-L59 HydrophobicContact CD2-CB 4.03Å; Y50-L59 HydrophobicContact CD2-CD1 4.31Å; Y50-L59 HydrophobicContact CE2-CB 4.48Å; Y50-T254 HydrophobicContact CE1-CG2 4.26Å; Y50-T254 PolarHBondContact OH-OG1 2.92Å; Y50-K265 HydrophobicContact CE2-CD 4.37Å; Y50-K265 HydrophobicContact CE2-CG 4.35Å
51	S	96.6	Very high	95.7	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	157.1	-177.6	50.4	0	0	0	0	112.1	K40 S57 Q58	K40-S51 CarbonylContact O-C 3.57Å; K40-S51 VanDerWaalsContact O-CA 3.29Å; K40-S51 WeakPolarHBondContact O-CA 2.99Å; K40-S51 WeakPolarHBondContact O-CB 3.39Å; S51-S57 CarbonylContact O-C 3.57Å; S51-S57 WeakPolarHBondContact O-CA 3.31Å; S51-Q58 PolarHBondContact N-O 3.01Å; S51-Q58 PolarHBondContact O-N 2.99Å; S51-Q58 PolarHBondContact OG-NE2 3.48Å
52	H	95.8	Very high	95.8	Very high	6 Å²	6	29.4 Å²	29.4	3%	0.028	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	131.8	172.5	-84.3	-143.9	0	0	0	109	Y38 T39 K40 Y50 L222 I252 T254	Y38-H52 HydrophobicContact CE1-CB 4.43Å; T39-H52 CarbonylContact C-O 3.53Å; T39-H52 VanDerWaalsContact CA-O 3.24Å; T39-H52 WeakPolarHBondContact CA-O 3.5Å; K40-H52 PolarHBondContact N-O 2.56Å; K40-H52 PolarHBondContact O-N 3.2Å; Y50-H52 AromaticContact CE1-NE2 3.97Å; H52-L222 VanDerWaalsContact CE1-CD2 3.45Å; H52-L222 WeakPolarHBondContact CE1-CD2 3.36Å; H52-I252 WeakPolarHBondContact CE1-CG2 3.48Å; H52-I252 WeakPolarHBondContact ND1-CG2 3.08Å; H52-T254 VanDerWaalsContact CE1-CB 3.44Å; H52-T254 WeakPolarHBondContact CE1-CB 3.4Å; H52-T254 PolarHBondContact CE1-OG1 2.82Å; H52-T254 WeakPolarHBondContact NE2-CB 3.43Å; H52-T254 PolarHBondContact NE2-OG1 3.29Å
53	N	95.7	Very high	95.9	Very high	3 Å²	3	35.3 Å²	35.3	2%	0.016	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	175	166.2	-57.1	-76.5	0	0	0	109.5	Y38 T39 Y55 Y56 V204 L222	Y38-N53 WeakPolarHBondContact O-CA 3.36Å; Y38-N53 PolarHBondContact O-OD1 2.88Å; T39-N53 WeakPolarHBondContact CB-OD1 3.49Å; T39-N53 WeakPolarHBondContact CG2-OD1 3.25Å; T39-N53 PolarHBondContact OG1-OD1 2.76Å; N53-Y55 PolarHBondContact O-N 3.27Å; N53-Y56 CarbonylContact C-O 3.59Å; N53-Y56 WeakPolarHBondContact CA-O 3.4Å; N53-Y56 WeakPolarHBondContact CB-O 2.97Å; N53-Y56 PolarHBondContact N-O 3.12Å; N53-Y56 VanDerWaalsContact O-O 3.1Å; N53-V204 HydrophobicContact CB-CG1 4.31Å; N53-V204 HydrophobicContact CB-CG2 3.69Å; N53-V204 WeakPolarHBondContact ND2-CG1 3.41Å; N53-L222 WeakPolarHBondContact O-CD1 3.47Å
54	Y	93.5	Very high	96.1	Very high	27 Å²	27	37.3 Å²	37.3	11%	0.106	19%	0.186	C	C	.	.	S	Bend	trans	-61.7	129	169.5	-176.6	-105.6	0	0	0	109.2	E28 I29 L35 Y38 Y56 F191 A202	E28-Y54 HydrophobicContact CB-CE2 4.2Å; E28-Y54 PolarHBondContact N-OH 3.01Å; I29-Y54 HydrophobicContact CB-CE1 3.85Å; I29-Y54 HydrophobicContact CB-CE2 4.31Å; I29-Y54 HydrophobicContact CD1-CD1 4.14Å; I29-Y54 HydrophobicContact CD1-CE1 4.08Å; I29-Y54 HydrophobicContact CG2-CE1 4.07Å; I29-Y54 PolarHBondContact N-OH 2.85Å; L35-Y54 HydrophobicContact CB-CD2 3.78Å; L35-Y54 HydrophobicContact CB-CE2 4.28Å; L35-Y54 HydrophobicContact CB-CG 4.14Å; L35-Y54 HydrophobicContact CD1-CD2 3.71Å; L35-Y54 HydrophobicContact CD1-CE2 3.62Å; L35-Y54 HydrophobicContact CD2-CD2 4.36Å; L35-Y54 HydrophobicContact CG-CD2 4.16Å; L35-Y54 WeakPolarHBondContact O-CB 3.5Å; Y38-Y54 PolarHBondContact O-N 3.28Å; Y54-Y56 PolarHBondContact O-N 2.92Å; Y54-F191 HydrophobicContact CD1-CE2 4.38Å; Y54-F191 HydrophobicContact CD1-CZ 4.35Å; Y54-F191 HydrophobicContact CE1-CE1 4.42Å; Y54-F191 AromaticContact CE1-CE2 3.87Å; Y54-F191 HydrophobicContact CE1-CE2 3.87Å; Y54-F191 AromaticContact CE1-CZ 3.68Å; Y54-F191 HydrophobicContact CE1-CZ 3.68Å; Y54-A202 HydrophobicContact CD1-CB 3.54Å; Y54-A202 HydrophobicContact CE1-CB 4.29Å; Y54-A202 HydrophobicContact CG-CB 4.39Å
55	Y	93.5	Very high	96.2	Very high	47 Å²	47	37.4 Å²	37.4	18%	0.184	20%	0.197	C	C	.	.	S	Bend	trans	71.3	-32.6	-179.5	-147.8	-84.8	0	0	0	117	N53 Y91 D92 F191 V221 L222	N53-Y55 PolarHBondContact O-N 3.27Å; Y55-Y91 VanDerWaalsContact CB-CE1 3.49Å; Y55-Y91 AromaticContact CD1-CD1 3.75Å; Y55-Y91 HydrophobicContact CD1-CD1 3.75Å; Y55-Y91 HydrophobicContact CD1-CE1 4.23Å; Y55-Y91 AromaticContact CD2-CD1 3.92Å; Y55-Y91 HydrophobicContact CD2-CD1 3.92Å; Y55-Y91 HydrophobicContact CE1-CD1 4.36Å; Y55-Y91 HydrophobicContact CE2-CD1 4.5Å; Y55-Y91 AromaticContact CG-CD1 3.51Å; Y55-Y91 HydrophobicContact CG-CD1 3.51Å; Y55-Y91 AromaticContact CG-CE1 3.88Å; Y55-Y91 HydrophobicContact CG-CE1 3.88Å; Y55-D92 WeakPolarHBondContact OH-CA 3.17Å; Y55-D92 WeakPolarHBondContact OH-CB 3.46Å; Y55-D92 PolarHBondContact OH-N 3.3Å; Y55-D92 PolarHBondContact OH-OD1 2.85Å; Y55-F191 HydrophobicContact CD2-CZ 4.47Å; Y55-V221 HydrophobicContact CD1-CG1 4.23Å; Y55-V221 HydrophobicContact CE1-CG1 3.79Å; Y55-V221 HydrophobicContact CE1-CG2 4.32Å; Y55-L222 PolarHBondContact O-N 2.85Å
56	Y	96	Very high	96.3	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	142	-174.3	-74.5	-89.5	0	0	0	112.9	N53 Y54 Y91 G165 F187 H219 E220 V221	N53-Y56 CarbonylContact C-O 3.59Å; N53-Y56 WeakPolarHBondContact CA-O 3.4Å; N53-Y56 WeakPolarHBondContact CB-O 2.97Å; N53-Y56 PolarHBondContact N-O 3.12Å; N53-Y56 VanDerWaalsContact O-O 3.1Å; Y54-Y56 PolarHBondContact O-N 2.92Å; Y56-Y91 HydrophobicContact CD2-CD1 4.36Å; Y56-Y91 AromaticContact CD2-CE1 3.75Å; Y56-Y91 HydrophobicContact CD2-CE1 3.75Å; Y56-Y91 HydrophobicContact CD2-CE2 4.41Å; Y56-Y91 AromaticContact CD2-CZ 3.79Å; Y56-Y91 AromaticContact CE2-CD1 3.83Å; Y56-Y91 HydrophobicContact CE2-CD1 3.83Å; Y56-Y91 HydrophobicContact CE2-CD2 4.05Å; Y56-Y91 AromaticContact CE2-CE1 3.61Å; Y56-Y91 HydrophobicContact CE2-CE1 3.61Å; Y56-Y91 AromaticContact CE2-CE2 3.81Å; Y56-Y91 HydrophobicContact CE2-CE2 3.81Å; Y56-Y91 HydrophobicContact CE2-CG 4.11Å; Y56-Y91 AromaticContact CE2-CZ 3.61Å; Y56-G165 VanDerWaalsContact CE1-O 3.32Å; Y56-G165 WeakPolarHBondContact CE1-O 3.12Å; Y56-G165 PolarHBondContact OH-O 2.82Å; Y56-F187 HydrophobicContact CD1-CE2 4.45Å; Y56-F187 HydrophobicContact CD1-CZ 4.14Å; Y56-F187 AromaticContact CD2-CE2 3.58Å; Y56-F187 HydrophobicContact CD2-CE2 3.58Å; Y56-F187 AromaticContact CD2-CZ 3.81Å; Y56-F187 HydrophobicContact CD2-CZ 3.81Å; Y56-F187 HydrophobicContact CE1-CE2 4.44Å; Y56-F187 HydrophobicContact CE1-CZ 4.48Å; Y56-F187 AromaticContact CE2-CE2 3.6Å; Y56-F187 HydrophobicContact CE2-CE2 3.6Å; Y56-F187 HydrophobicContact CE2-CZ 4.21Å; Y56-F187 HydrophobicContact CG-CE2 4.03Å; Y56-F187 AromaticContact CG-CZ 3.78Å; Y56-F187 HydrophobicContact CG-CZ 3.78Å; Y56-H219 HydrophobicContact CD1-CB 3.87Å; Y56-H219 HydrophobicContact CG-CB 4.48Å; Y56-E220 CarbonylContact C-O 3.35Å; Y56-E220 WeakPolarHBondContact CA-O 3.28Å; Y56-V221 HydrophobicContact CD1-CG2 4.32Å; Y56-V221 HydrophobicContact CE1-CG2 3.71Å
57	S	96.2	Very high	96.2	Very high	1 Å²	1	32.9 Å²	32.9	1%	0.007	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	150.5	157.6	62.3	0	0	0	0	109.5	Y50 S51 H219 E220	Y50-S57 VanDerWaalsContact OH-CB 3.25Å; Y50-S57 WeakPolarHBondContact OH-CB 3.35Å; Y50-S57 PolarHBondContact OH-OG 3.27Å; S51-S57 CarbonylContact O-C 3.57Å; S51-S57 WeakPolarHBondContact O-CA 3.31Å; S57-H219 CarbonylContact O-C 3.46Å; S57-H219 WeakPolarHBondContact O-CA 3.47Å; S57-E220 PolarHBondContact N-O 2.84Å; S57-E220 PolarHBondContact O-N 2.63Å; S57-E220 PolarHBondContact OG-O 3.25Å
58	Q	97.6	Very high	96.2	Very high	0 Å²	0	31 Å²	31	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	124.3	177.8	179.7	-179.1	-103.2	0	0	109.1	Y50 S51 I60 V217 E218 H219	Y50-Q58 WeakPolarHBondContact CA-O 3.34Å; Y50-Q58 VanDerWaalsContact CD2-O 3.28Å; Y50-Q58 WeakPolarHBondContact CD2-O 3.45Å; S51-Q58 PolarHBondContact N-O 3.01Å; S51-Q58 PolarHBondContact O-N 2.99Å; S51-Q58 PolarHBondContact OG-NE2 3.48Å; Q58-I60 HydrophobicContact CG-CD1 4.39Å; Q58-I60 HydrophobicContact CG-CG1 4Å; Q58-V217 HydrophobicContact CG-CG1 3.75Å; Q58-E218 CarbonylContact C-O 3.56Å; Q58-E218 WeakPolarHBondContact CA-O 3.49Å; Q58-H219 WeakPolarHBondContact CG-NE2 3.49Å; Q58-H219 PolarHBondContact OE1-NE2 3.45Å
59	L	97.3	Very high	96	Very high	1 Å²	1	31.3 Å²	31.3	1%	0.005	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	117.7	171.6	174.1	57.2	0	0	0	109.5	Y50 R61 V217 E218 N261 F264	Y50-L59 HydrophobicContact CD2-CB 4.03Å; Y50-L59 HydrophobicContact CD2-CD1 4.31Å; Y50-L59 HydrophobicContact CE2-CB 4.48Å; L59-R61 HydrophobicContact CD1-CG 4.14Å; L59-R61 HydrophobicContact CG-CG 4.19Å; L59-V217 CarbonylContact O-C 3.59Å; L59-V217 WeakPolarHBondContact O-CA 3.13Å; L59-E218 PolarHBondContact N-O 2.94Å; L59-E218 PolarHBondContact O-N 3.04Å; L59-N261 HydrophobicContact CD2-CB 3.93Å; L59-F264 HydrophobicContact CD1-CD1 3.83Å; L59-F264 HydrophobicContact CD1-CE1 3.21Å; L59-F264 HydrophobicContact CD1-CZ 3.87Å; L59-F264 HydrophobicContact CD2-CD1 4.01Å; L59-F264 HydrophobicContact CD2-CE1 4.24Å; L59-F264 HydrophobicContact CG-CE1 4.37Å
60	I	98	Very high	95.7	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	132.4	176.6	-56	-179.1	0	0	0	108.9	Y48 E49 Q58 P207 W210 T215 V217	Y48-I60 CarbonylContact C-O 3.42Å; Y48-I60 WeakPolarHBondContact CA-O 3.42Å; Y48-I60 WeakPolarHBondContact CB-O 3.42Å; E49-I60 HydrophobicContact CB-CB 4.2Å; E49-I60 HydrophobicContact CB-CD1 4.31Å; E49-I60 HydrophobicContact CB-CG1 4.48Å; E49-I60 PolarHBondContact N-O 3.4Å; E49-I60 VanDerWaalsContact N-O 3.08Å; E49-I60 PolarHBondContact O-N 2.73Å; Q58-I60 HydrophobicContact CG-CD1 4.39Å; Q58-I60 HydrophobicContact CG-CG1 4Å; I60-P207 HydrophobicContact CD1-CG 4.38Å; I60-W210 HydrophobicContact CB-CD2 4.42Å; I60-W210 HydrophobicContact CB-CG 4.48Å; I60-W210 HydrophobicContact CD1-CB 4.01Å; I60-W210 HydrophobicContact CD1-CD2 4.28Å; I60-W210 HydrophobicContact CD1-CG 3.63Å; I60-W210 HydrophobicContact CG2-CB 3.77Å; I60-W210 HydrophobicContact CG2-CD2 3.61Å; I60-W210 HydrophobicContact CG2-CE3 3.65Å; I60-W210 HydrophobicContact CG2-CG 3.67Å; I60-W210 HydrophobicContact CG2-CZ3 4.46Å; I60-T215 HydrophobicContact CG2-CG2 3.78Å; I60-V217 HydrophobicContact CG1-CG1 3.98Å; I60-V217 HydrophobicContact CG1-CG2 4.09Å; I60-V217 HydrophobicContact CG2-CG2 4.23Å
61	R	97.4	Very high	95.4	Very high	46 Å²	46	42.7 Å²	42.7	17%	0.174	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	129.5	174.7	-64.1	-176.6	-72.8	-177.5	-4.7	110.8	L59 Q64 T215 L216 E218 N261	L59-R61 HydrophobicContact CD1-CG 4.14Å; L59-R61 HydrophobicContact CG-CG 4.19Å; R61-Q64 HydrophobicContact CB-CG 3.77Å; R61-T215 WeakPolarHBondContact O-CA 3.41Å; R61-L216 PolarHBondContact N-O 2.93Å; R61-L216 PolarHBondContact O-N 3.39Å; R61-E218 IonicContact CZ-OE2 3.97Å; R61-E218 IonicContact NE-OE2 3.45Å; R61-E218 IonicContact NH2-OE1 2.77Å; R61-E218 IonicContact NH2-OE2 2.66Å; R61-E218 PolarHBondContact NH2-OE2 3.02Å; R61-N261 PolarHBondContact NH1-OD1 2.56Å; R61-N261 PolarHBondContact NH2-OD1 2.94Å
62	L	97.6	Very high	95.3	Very high	19 Å²	19	46.3 Å²	46.3	10%	0.099	26%	0.256	C	S	.	.	S	Bend	trans	-81.5	162.4	174.4	-61.3	-172.9	0	0	0	112.2	D46 S47 Q64 W210 Q212 T215	D46-L62 WeakPolarHBondContact O-CD1 3.41Å; S47-L62 PolarHBondContact O-N 3.07Å; L62-Q64 VanDerWaalsContact C-N 3.26Å; L62-Q64 PolarHBondContact O-N 3.12Å; L62-Q64 PolarHBondContact O-NE2 2.85Å; L62-W210 HydrophobicContact CD1-CE3 4.21Å; L62-W210 HydrophobicContact CD1-CZ3 3.79Å; L62-W210 HydrophobicContact CD2-CE3 3.68Å; L62-W210 HydrophobicContact CD2-CZ3 4.03Å; L62-W210 HydrophobicContact CG-CE3 3.9Å; L62-W210 HydrophobicContact CG-CZ3 3.7Å; L62-Q212 HydrophobicContact CD2-CG 4.06Å; L62-T215 HydrophobicContact CD2-CG2 3.85Å; L62-T215 WeakPolarHBondContact CD2-OG1 3.48Å
63	N	96.9	Very high	95.3	Very high	136 Å²	136	47.1 Å²	47.1	73%	0.727	26%	0.26	S	S	*	.	S	Bend	trans	55.4	36.4	171.9	-53.4	-51.6	0	0	0	114.1	G214	N63-G214 CarbonylContact C-O 3.52Å; N63-G214 PolarHBondContact N-O 2.98Å
64	Q	97.2	Very high	95.4	Very high	63 Å²	63	54 Å²	54	29%	0.294	29%	0.292	S	S	.	.	P	Polyproline II helix	trans	-85.1	148.7	176	-58.7	-55.3	-68.7	0	0	110.7	R61 L62 Y170 G214 L216	R61-Q64 HydrophobicContact CB-CG 3.77Å; L62-Q64 VanDerWaalsContact C-N 3.26Å; L62-Q64 PolarHBondContact O-N 3.12Å; L62-Q64 PolarHBondContact O-NE2 2.85Å; Q64-Y170 PolarHBondContact O-OH 2.63Å; Q64-G214 PolarHBondContact N-O 2.83Å; Q64-L216 HydrophobicContact CB-CB 3.83Å; Q64-L216 HydrophobicContact CB-CD2 4.5Å; Q64-L216 HydrophobicContact CG-CB 3.68Å; Q64-L216 HydrophobicContact CG-CD2 4.38Å
65	S	96.5	Very high	95.5	Very high	99 Å²	99	60.1 Å²	60.1	69%	0.692	32%	0.319	S	S	*	.	P	Polyproline II helix	trans	-71.6	155.1	168.2	-63.8	0	0	0	0	110.4
66	P	96.3	Very high	95.6	Very high	65 Å²	65	60 Å²	60	42%	0.422	32%	0.323	S	S	.	.	P	Polyproline II helix	trans	-54.6	128.7	173	-23.5	31.6	0	0	0	111.2	V68 Y170	P66-V68 PolarHBondContact O-N 2.76Å; P66-Y170 HydrophobicContact CB-CD1 4.42Å; P66-Y170 HydrophobicContact CB-CE1 3.79Å; P66-Y170 WeakPolarHBondContact CD-OH 3.49Å; P66-Y170 HydrophobicContact CG-CE1 3.81Å; P66-Y170 WeakPolarHBondContact CG-OH 3.45Å
67	P	94.2	Very high	95.6	Very high	53 Å²	53	66.8 Å²	66.8	34%	0.344	36%	0.359	S	S	.	.	S	Bend	trans	-71.2	-16	-176.8	26.7	-35.7	0	0	0	113.6	L160 Y170 L216	P67-L160 HydrophobicContact CB-CD1 3.78Å; P67-L160 HydrophobicContact CG-CD1 3.34Å; P67-L160 HydrophobicContact CG-CG 4.43Å; P67-Y170 VanDerWaalsContact CD-CG 3.48Å; P67-Y170 HydrophobicContact CG-CG 4.21Å; P67-L216 HydrophobicContact CG-CD1 4.33Å
68	V	94.5	Very high	95.4	Very high	20 Å²	20	69.5 Å²	69.5	12%	0.121	37%	0.373	C	S	.	.	S	Bend	trans	-134.4	146.8	-179.1	-69.1	0	0	0	0	110.6	P66 I72 F73 L137 T158 L160	P66-V68 PolarHBondContact O-N 2.76Å; V68-I72 HydrophobicContact CB-CD1 4.02Å; V68-I72 HydrophobicContact CG1-CD1 4.43Å; V68-F73 HydrophobicContact CG2-CE2 3.71Å; V68-F73 HydrophobicContact CG2-CZ 3.73Å; V68-L137 HydrophobicContact CG1-CD1 4.17Å; V68-L137 HydrophobicContact CG1-CD2 3.96Å; V68-T158 HydrophobicContact CG2-CG2 4.42Å; V68-L160 HydrophobicContact CG1-CD2 3.73Å; V68-L160 HydrophobicContact CG2-CD2 4.12Å
69	S	92.6	Very high	95.3	Very high	67 Å²	67	73.9 Å²	73.9	47%	0.469	40%	0.396	S	S	.	.			trans	-65.4	151.4	177.2	-177.3	0	0	0	0	111.3	D71 I72 F73	S69-D71 VanDerWaalsContact C-N 3.29Å; S69-D71 PolarHBondContact O-N 3.14Å; S69-D71 PolarHBondContact OG-N 2.81Å; S69-I72 WeakPolarHBondContact O-CG1 3.24Å; S69-F73 WeakPolarHBondContact O-CD2 3.38Å; S69-F73 WeakPolarHBondContact O-CE2 3.43Å
70	N	90.3	Very high	95.3	Very high	92 Å²	92	75.4 Å²	75.4	49%	0.492	41%	0.406	S	S	.	.	G	3₁₀ helix	trans	-71.1	-24.8	174.7	-76.1	-26.9	0	0	0	113.2	I72 R141	N70-I72 PolarHBondContact O-N 3.03Å; N70-R141 PolarHBondContact OD1-NH1 2.77Å; N70-R141 PolarHBondContact OD1-NH2 3.2Å
71	D	90.6	Very high	95.3	Very high	151 Å²	151	79.3 Å²	79.3	81%	0.807	43%	0.433	S	S	*	.	G	3₁₀ helix	trans	-75.8	-8.4	-170.3	-57.2	-32.8	0	0	0	114.2	S69	S69-D71 VanDerWaalsContact C-N 3.29Å; S69-D71 PolarHBondContact O-N 3.14Å; S69-D71 PolarHBondContact OG-N 2.81Å
72	I	93.3	Very high	95.3	Very high	77 Å²	77	77.8 Å²	77.8	40%	0.395	43%	0.429	S	S	.	.	G	3₁₀ helix	trans	-93.4	-3.7	-176.4	70.6	174.8	0	0	0	113.4	V68 S69 N70 S132	V68-I72 HydrophobicContact CB-CD1 4.02Å; V68-I72 HydrophobicContact CG1-CD1 4.43Å; S69-I72 WeakPolarHBondContact O-CG1 3.24Å; N70-I72 PolarHBondContact O-N 3.03Å; I72-S132 WeakPolarHBondContact CD1-OG 3.49Å; I72-S132 WeakPolarHBondContact CG1-OG 3.07Å; I72-S132 VanDerWaalsContact O-CB 3.3Å; I72-S132 WeakPolarHBondContact O-CB 3.08Å; I72-S132 PolarHBondContact O-OG 2.87Å
73	F	97.1	Very high	95.2	Very high	23 Å²	23	80.3 Å²	80.3	10%	0.101	45%	0.452	C	S	.	.			trans	-92.3	135.6	-173.6	-78.6	-82.7	0	0	0	111.4	V68 S69 E130 A139 R141 T158	V68-F73 HydrophobicContact CG2-CE2 3.71Å; V68-F73 HydrophobicContact CG2-CZ 3.73Å; S69-F73 WeakPolarHBondContact O-CD2 3.38Å; S69-F73 WeakPolarHBondContact O-CE2 3.43Å; F73-E130 HydrophobicContact CB-CB 4.09Å; F73-E130 HydrophobicContact CD1-CB 3.88Å; F73-E130 HydrophobicContact CG-CB 4.31Å; F73-A139 HydrophobicContact CE1-CB 3.67Å; F73-A139 HydrophobicContact CZ-CB 3.67Å; F73-R141 HydrophobicContact CD1-CB 4.24Å; F73-R141 HydrophobicContact CE1-CB 3.78Å; F73-R141 VanDerWaalsContact CE2-CZ 3.42Å; F73-R141 HydrophobicContact CZ-CB 4.33Å; F73-T158 HydrophobicContact CZ-CG2 3.99Å
74	E	96.5	Very high	95.3	Very high	148 Å²	148	74.6 Å²	74.6	69%	0.692	42%	0.423	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-108.4	134.5	170.5	-65	-179.3	-178.3	0	0	109.3	E130 I131	E74-E130 CarbonylContact O-C 3.39Å; E74-E130 VanDerWaalsContact O-CA 3.26Å; E74-E130 WeakPolarHBondContact O-CA 3.12Å; E74-I131 PolarHBondContact N-O 2.96Å; E74-I131 PolarHBondContact O-N 2.03Å
75	K	96.6	Very high	95.2	Very high	155 Å²	155	74.4 Å²	74.4	67%	0.674	43%	0.432	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-74.1	131	172.7	178.8	169.6	176.5	145	0	109.6	N128	K75-N128 WeakPolarHBondContact CD-OD1 3.44Å; K75-N128 WeakPolarHBondContact CE-OD1 3.16Å; K75-N128 WeakPolarHBondContact CG-OD1 3.44Å; K75-N128 PolarHBondContact NZ-OD1 2.84Å
76	V	95.5	Very high	95.3	Very high	44 Å²	44	71.2 Å²	71.2	27%	0.267	41%	0.406	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	154.7	-178.3	-169.2	0	0	0	0	109.6	V80 L129 I131	V76-V80 HydrophobicContact CG1-CB 4.33Å; V76-V80 HydrophobicContact CG1-CG1 4.2Å; V76-V80 HydrophobicContact CG1-CG2 4Å; V76-L129 PolarHBondContact N-O 3.3Å; V76-I131 HydrophobicContact CB-CD1 4.34Å; V76-I131 HydrophobicContact CG2-CB 4.28Å; V76-I131 HydrophobicContact CG2-CD1 4.1Å; V76-I131 HydrophobicContact CG2-CG1 4.22Å
77	D	95	Very high	95.3	Very high	142 Å²	142	72.9 Å²	72.9	76%	0.759	41%	0.411	S	S	*	.			trans	-64.2	150.9	168.9	-66.1	-32.8	0	0	0	110.8
78	I	92.9	Very high	95.4	Very high	59 Å²	59	70.4 Å²	70.4	30%	0.303	39%	0.394	S	S	.	.	S	Bend	trans	-71.3	163.2	176	-66.4	167.7	0	0	0	109.9	V126 L129	I78-V126 HydrophobicContact CD1-CB 4.17Å; I78-V126 HydrophobicContact CD1-CG1 4.15Å; I78-V126 WeakPolarHBondContact CD1-O 3.46Å; I78-V126 HydrophobicContact CG1-CG1 4.35Å; I78-L129 HydrophobicContact CG1-CB 4.34Å
79	D	95.5	Very high	95.5	Very high	91 Å²	91	74.2 Å²	74.2	49%	0.487	41%	0.41	S	S	.	.	S	Bend	trans	64.2	48.3	179.5	-62.5	-36.8	0	0	0	112.8	Y99 I100 E101 G102	D79-Y99 WeakPolarHBondContact CB-OH 3.24Å; D79-Y99 WeakPolarHBondContact O-CE2 3.05Å; D79-I100 CarbonylContact C-O 3.56Å; D79-I100 WeakPolarHBondContact CA-O 3.23Å; D79-I100 PolarHBondContact N-O 2.84Å; D79-E101 WeakPolarHBondContact OD1-CA 3.48Å; D79-G102 PolarHBondContact OD1-N 2.93Å
80	V	97.3	Very high	95.6	Very high	33 Å²	33	71.1 Å²	71.1	20%	0.2	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	141.9	-170.3	65.6	0	0	0	0	112.8	V76 V82 Y99 I100 L129 I131	V76-V80 HydrophobicContact CG1-CB 4.33Å; V76-V80 HydrophobicContact CG1-CG1 4.2Å; V76-V80 HydrophobicContact CG1-CG2 4Å; V80-V82 HydrophobicContact CG1-CG2 4.29Å; V80-Y99 WeakPolarHBondContact O-CA 3.19Å; V80-I100 HydrophobicContact CG1-CB 4.25Å; V80-I100 HydrophobicContact CG1-CD1 4.24Å; V80-I100 PolarHBondContact N-O 2.83Å; V80-I100 PolarHBondContact O-N 3.08Å; V80-L129 HydrophobicContact CG1-CD2 3.53Å; V80-I131 HydrophobicContact CG1-CD1 4.19Å
81	S	97.3	Very high	95.7	Very high	82 Å²	82	66.8 Å²	66.8	57%	0.573	36%	0.364	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-87.8	131.8	168.4	-62.7	0	0	0	0	110.8	L98	S81-L98 CarbonylContact C-O 3.24Å; S81-L98 WeakPolarHBondContact CA-O 3.16Å
82	V	96.9	Very high	95.5	Very high	14 Å²	14	63.7 Å²	63.7	9%	0.085	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	126.1	-179.8	-176.4	0	0	0	0	109.4	V80 L98 I100 I131 L138	V80-V82 HydrophobicContact CG1-CG2 4.29Å; V82-L98 HydrophobicContact CB-CB 4.4Å; V82-L98 PolarHBondContact N-O 3.48Å; V82-L98 PolarHBondContact O-N 2.81Å; V82-I100 HydrophobicContact CG2-CD1 3.74Å; V82-I100 HydrophobicContact CG2-CG1 4.35Å; V82-I131 HydrophobicContact CG2-CD1 3.7Å; V82-L138 HydrophobicContact CG1-CD1 4.27Å; V82-L138 HydrophobicContact CG1-CD2 4.49Å
83	A	97.1	Very high	95.5	Very high	72 Å²	72	62.4 Å²	62.4	60%	0.595	34%	0.342	S	S	*	.			trans	-95.9	110.8	167.6	0	0	0	0	0	108.5	N133	A83-N133 PolarHBondContact O-ND2 3.37Å
84	P	97.3	Very high	95.4	Very high	17 Å²	17	64.3 Å²	64.3	11%	0.11	35%	0.353	C	S	.	.			trans	-62.9	148.7	178.6	28.4	-32.9	0	0	0	110.4	F86 I88 D96 L98 N133 L138	P84-F86 WeakPolarHBondContact CB-O 3.5Å; P84-F86 VanDerWaalsContact CG-O 3.3Å; P84-F86 WeakPolarHBondContact CG-O 3.38Å; P84-F86 PolarHBondContact O-N 3.39Å; P84-I88 HydrophobicContact CB-CD1 3.8Å; P84-I88 HydrophobicContact CB-CG1 4.33Å; P84-I88 HydrophobicContact CG-CD1 3.86Å; P84-I88 HydrophobicContact CG-CG1 4.43Å; P84-D96 VanDerWaalsContact CD-O 3.27Å; P84-D96 WeakPolarHBondContact CD-O 3.45Å; P84-L98 HydrophobicContact CB-CD1 4.22Å; P84-L98 HydrophobicContact CG-CD1 3.85Å; P84-N133 WeakPolarHBondContact CA-OD1 3.43Å; P84-L138 HydrophobicContact CB-CD2 4.31Å
85	A	97.1	Very high	95.5	Very high	59 Å²	59	57.3 Å²	57.3	49%	0.488	32%	0.32	S	S	.	.	S	Bend	trans	-70.1	0.6	179	0	0	0	0	0	114	N133 G134	A85-N133 PolarHBondContact N-OD1 2.75Å; A85-G134 WeakPolarHBondContact CB-O 3.29Å
86	F	97.1	Very high	95.5	Very high	31 Å²	31	53.5 Å²	53.5	14%	0.136	31%	0.307	C	S	.	.	S	Bend	trans	-153.2	161	-177.5	51.4	-94.9	0	0	0	109.8	P84 I88 G134 L138 P163	P84-F86 WeakPolarHBondContact CB-O 3.5Å; P84-F86 VanDerWaalsContact CG-O 3.3Å; P84-F86 WeakPolarHBondContact CG-O 3.38Å; P84-F86 PolarHBondContact O-N 3.39Å; F86-I88 HydrophobicContact CD2-CG1 3.89Å; F86-I88 HydrophobicContact CE2-CD1 4.43Å; F86-I88 HydrophobicContact CE2-CG1 3.49Å; F86-I88 VanDerWaalsContact CE2-CG1 3.49Å; F86-I88 HydrophobicContact CZ-CG1 4.46Å; F86-G134 VanDerWaalsContact CE1-O 3.3Å; F86-G134 WeakPolarHBondContact CE1-O 3.25Å; F86-L138 HydrophobicContact CZ-CB 4.15Å; F86-P163 HydrophobicContact CB-CG 4.4Å; F86-P163 HydrophobicContact CD1-CG 4.12Å; F86-P163 HydrophobicContact CD2-CB 3.66Å; F86-P163 HydrophobicContact CD2-CG 3.53Å; F86-P163 HydrophobicContact CE1-CG 4.27Å; F86-P163 HydrophobicContact CE2-CB 4.04Å; F86-P163 HydrophobicContact CE2-CG 3.67Å; F86-P163 HydrophobicContact CG-CB 4.18Å; F86-P163 HydrophobicContact CG-CG 3.76Å; F86-P163 HydrophobicContact CZ-CG 4.07Å
87	L	96.2	Very high	95.6	Very high	100 Å²	100	56.3 Å²	56.3	52%	0.524	31%	0.313	S	S	.	.	P	Polyproline II helix	trans	-73.9	127.5	169.2	-69.3	173.6	0	0	0	109.5	D96	L87-D96 HydrophobicContact CD2-CB 3.85Å
88	I	97	Very high	95.7	Very high	1 Å²	1	49.5 Å²	49.5	1%	0.005	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92	125.3	176.9	-63.6	155.5	0	0	0	108.2	P84 F86 F90 V95 L98 L138 I161	P84-I88 HydrophobicContact CB-CD1 3.8Å; P84-I88 HydrophobicContact CB-CG1 4.33Å; P84-I88 HydrophobicContact CG-CD1 3.86Å; P84-I88 HydrophobicContact CG-CG1 4.43Å; F86-I88 HydrophobicContact CD2-CG1 3.89Å; F86-I88 HydrophobicContact CE2-CD1 4.43Å; F86-I88 HydrophobicContact CE2-CG1 3.49Å; F86-I88 VanDerWaalsContact CE2-CG1 3.49Å; F86-I88 HydrophobicContact CZ-CG1 4.46Å; I88-F90 HydrophobicContact CG2-CB 4.36Å; I88-V95 HydrophobicContact CB-CB 4.01Å; I88-V95 HydrophobicContact CB-CG1 4.36Å; I88-V95 HydrophobicContact CD1-CG1 4.21Å; I88-V95 HydrophobicContact CG2-CB 4.48Å; I88-V95 PolarHBondContact N-O 3.33Å; I88-V95 PolarHBondContact O-N 2.75Å; I88-L98 HydrophobicContact CD1-CD1 3.91Å; I88-L138 HydrophobicContact CD1-CD2 4.44Å; I88-I161 HydrophobicContact CB-CG2 4.36Å; I88-I161 HydrophobicContact CD1-CG2 3.81Å; I88-I161 HydrophobicContact CG1-CG2 3.88Å; I88-I161 HydrophobicContact CG2-CG2 3.52Å
89	K	95.4	Very high	96	Very high	101 Å²	101	49.9 Å²	49.9	44%	0.439	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	119.5	166.5	-61.6	-59.3	-176	176.4	0	109.4	N93 D94 P163 G165	K89-N93 WeakPolarHBondContact CA-O 3.46Å; K89-D94 WeakPolarHBondContact CD-OD1 3.17Å; K89-D94 VanDerWaalsContact CE-OD1 3.28Å; K89-D94 WeakPolarHBondContact CE-OD1 3.48Å; K89-D94 IonicContact NZ-OD1 2.69Å; K89-D94 PolarHBondContact NZ-OD1 2.92Å; K89-D94 IonicContact NZ-OD2 3.53Å; K89-D94 PolarHBondContact NZ-OD2 2.8Å; K89-P163 WeakPolarHBondContact CG-O 3.33Å; K89-P163 PolarHBondContact N-O 3.4Å; K89-G165 WeakPolarHBondContact O-CA 2.99Å
90	F	95.7	Very high	96	Very high	1 Å²	1	45.6 Å²	45.6	0%	0.004	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	115	179.6	-176.5	-109.9	0	0	0	110.6	I88 D92 N93 V95 M108 V114 E115 I167 F187 S188	I88-F90 HydrophobicContact CG2-CB 4.36Å; F90-D92 PolarHBondContact O-N 2.87Å; F90-N93 PolarHBondContact N-O 2.92Å; F90-N93 WeakPolarHBondContact O-CA 3.48Å; F90-N93 WeakPolarHBondContact O-CB 3.42Å; F90-N93 PolarHBondContact O-N 2.93Å; F90-V95 HydrophobicContact CB-CG2 3.85Å; F90-M108 HydrophobicContact CB-SD 4.33Å; F90-M108 HydrophobicContact CD1-SD 4.01Å; F90-M108 HydrophobicContact CD2-SD 4.11Å; F90-M108 HydrophobicContact CE1-SD 4.3Å; F90-M108 HydrophobicContact CE2-SD 4.39Å; F90-M108 HydrophobicContact CG-SD 3.88Å; F90-M108 HydrophobicContact CZ-SD 4.46Å; F90-V114 HydrophobicContact CD1-CG2 3.95Å; F90-E115 WeakPolarHBondContact CE1-O 3.41Å; F90-I167 HydrophobicContact CD2-CD1 3.72Å; F90-I167 HydrophobicContact CE2-CD1 3.46Å; F90-I167 VanDerWaalsContact CE2-CD1 3.46Å; F90-F187 AromaticContact CE2-CD2 3.75Å; F90-F187 HydrophobicContact CE2-CD2 3.75Å; F90-F187 HydrophobicContact CE2-CE2 4.33Å; F90-F187 HydrophobicContact CZ-CD2 4.05Å; F90-S188 WeakPolarHBondContact CE1-O 3.18Å; F90-S188 WeakPolarHBondContact CZ-O 3.34Å
91	Y	92.9	Very high	95.9	Very high	2 Å²	2	46.1 Å²	46.1	1%	0.008	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	41.8	51.9	-173.5	-71.1	-75.1	0	0	0	112.9	Y55 Y56 N93 F187 G189 F191 A202	Y55-Y91 VanDerWaalsContact CB-CE1 3.49Å; Y55-Y91 AromaticContact CD1-CD1 3.75Å; Y55-Y91 HydrophobicContact CD1-CD1 3.75Å; Y55-Y91 HydrophobicContact CD1-CE1 4.23Å; Y55-Y91 AromaticContact CD2-CD1 3.92Å; Y55-Y91 HydrophobicContact CD2-CD1 3.92Å; Y55-Y91 HydrophobicContact CE1-CD1 4.36Å; Y55-Y91 HydrophobicContact CE2-CD1 4.5Å; Y55-Y91 AromaticContact CG-CD1 3.51Å; Y55-Y91 HydrophobicContact CG-CD1 3.51Å; Y55-Y91 AromaticContact CG-CE1 3.88Å; Y55-Y91 HydrophobicContact CG-CE1 3.88Å; Y56-Y91 HydrophobicContact CD2-CD1 4.36Å; Y56-Y91 AromaticContact CD2-CE1 3.75Å; Y56-Y91 HydrophobicContact CD2-CE1 3.75Å; Y56-Y91 HydrophobicContact CD2-CE2 4.41Å; Y56-Y91 AromaticContact CD2-CZ 3.79Å; Y56-Y91 AromaticContact CE2-CD1 3.83Å; Y56-Y91 HydrophobicContact CE2-CD1 3.83Å; Y56-Y91 HydrophobicContact CE2-CD2 4.05Å; Y56-Y91 AromaticContact CE2-CE1 3.61Å; Y56-Y91 HydrophobicContact CE2-CE1 3.61Å; Y56-Y91 AromaticContact CE2-CE2 3.81Å; Y56-Y91 HydrophobicContact CE2-CE2 3.81Å; Y56-Y91 HydrophobicContact CE2-CG 4.11Å; Y56-Y91 AromaticContact CE2-CZ 3.61Å; Y91-N93 PolarHBondContact O-N 2.85Å; Y91-N93 VanDerWaalsContact O-N 3.15Å; Y91-N93 PolarHBondContact O-ND2 3.41Å; Y91-F187 AromaticContact CE2-CD2 3.83Å; Y91-F187 HydrophobicContact CE2-CD2 3.83Å; Y91-F187 AromaticContact CE2-CE2 3.82Å; Y91-F187 HydrophobicContact CE2-CE2 3.82Å; Y91-F187 AromaticContact CZ-CE2 3.89Å; Y91-F187 WeakPolarHBondContact OH-CE2 3.25Å; Y91-G189 VanDerWaalsContact CE2-CA 3.48Å; Y91-G189 VanDerWaalsContact CE2-N 3.31Å; Y91-F191 HydrophobicContact CD1-CE1 4.28Å; Y91-F191 HydrophobicContact CD1-CE2 4.15Å; Y91-F191 AromaticContact CD1-CZ 3.42Å; Y91-F191 HydrophobicContact CD1-CZ 3.42Å; Y91-F191 VanDerWaalsContact CD1-CZ 3.42Å; Y91-F191 HydrophobicContact CE1-CE2 4.45Å; Y91-F191 HydrophobicContact CE1-CZ 4.06Å; Y91-F191 AromaticContact CG-CZ 3.98Å; Y91-F191 HydrophobicContact CG-CZ 3.98Å; Y91-A202 HydrophobicContact CE1-CB 4.12Å
92	D	86.8	Confident	95.7	Very high	85 Å²	85	42.8 Å²	42.8	46%	0.455	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	68	3.4	-179.3	-106.3	8.3	0	0	0	116.6	K25 Y55 F90	K25-D92 IonicContact NZ-OD2 2.58Å; K25-D92 PolarHBondContact NZ-OD2 2.81Å; Y55-D92 WeakPolarHBondContact OH-CA 3.17Å; Y55-D92 WeakPolarHBondContact OH-CB 3.46Å; Y55-D92 PolarHBondContact OH-N 3.3Å; Y55-D92 PolarHBondContact OH-OD1 2.85Å; F90-D92 PolarHBondContact O-N 2.87Å
93	N	92.4	Very high	95.5	Very high	51 Å²	51	43.6 Å²	43.6	27%	0.273	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	151.8	173.8	-63	-78.4	0	0	0	112	K89 F90 Y91 V114	K89-N93 WeakPolarHBondContact CA-O 3.46Å; F90-N93 PolarHBondContact N-O 2.92Å; F90-N93 WeakPolarHBondContact O-CA 3.48Å; F90-N93 WeakPolarHBondContact O-CB 3.42Å; F90-N93 PolarHBondContact O-N 2.93Å; Y91-N93 PolarHBondContact O-N 2.85Å; Y91-N93 VanDerWaalsContact O-N 3.15Å; Y91-N93 PolarHBondContact O-ND2 3.41Å; N93-V114 HydrophobicContact CB-CB 4.3Å; N93-V114 HydrophobicContact CB-CG1 3.82Å
94	D	95.4	Very high	95.4	Very high	63 Å²	63	40.1 Å²	40.1	34%	0.337	21%	0.208	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-97	93	173.7	-72.3	-16.5	0	0	0	109.3	K89 S110	K89-D94 WeakPolarHBondContact CD-OD1 3.17Å; K89-D94 VanDerWaalsContact CE-OD1 3.28Å; K89-D94 WeakPolarHBondContact CE-OD1 3.48Å; K89-D94 IonicContact NZ-OD1 2.69Å; K89-D94 PolarHBondContact NZ-OD1 2.92Å; K89-D94 IonicContact NZ-OD2 3.53Å; K89-D94 PolarHBondContact NZ-OD2 2.8Å; D94-S110 WeakPolarHBondContact O-CB 3.26Å; D94-S110 PolarHBondContact O-OG 2.81Å
95	V	97.3	Very high	95.4	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	125.3	-179.1	167.7	0	0	0	0	110	I88 F90 L98 M108 Y109 V114	I88-V95 HydrophobicContact CB-CB 4.01Å; I88-V95 HydrophobicContact CB-CG1 4.36Å; I88-V95 HydrophobicContact CD1-CG1 4.21Å; I88-V95 HydrophobicContact CG2-CB 4.48Å; I88-V95 PolarHBondContact N-O 3.33Å; I88-V95 PolarHBondContact O-N 2.75Å; F90-V95 HydrophobicContact CB-CG2 3.85Å; V95-L98 HydrophobicContact CG1-CD1 4.41Å; V95-L98 HydrophobicContact CG1-CG 4.5Å; V95-M108 HydrophobicContact CB-CB 4.49Å; V95-M108 HydrophobicContact CG1-CB 3.76Å; V95-M108 HydrophobicContact CG1-CG 4.2Å; V95-M108 HydrophobicContact CG1-SD 4.27Å; V95-M108 HydrophobicContact CG2-CB 3.86Å; V95-M108 HydrophobicContact CG2-SD 4.35Å; V95-Y109 WeakPolarHBondContact CA-O 3.16Å; V95-V114 HydrophobicContact CG2-CG2 3.5Å
96	D	97	Very high	95.4	Very high	75 Å²	75	37.9 Å²	37.9	40%	0.401	19%	0.188	S	C	.	.			trans	-121.1	-4.7	-177	73.3	-0.4	0	0	0	113.6	P84 L87 Y109	P84-D96 VanDerWaalsContact CD-O 3.27Å; P84-D96 WeakPolarHBondContact CD-O 3.45Å; L87-D96 HydrophobicContact CD2-CB 3.85Å; D96-Y109 PolarHBondContact N-O 2.77Å
97	R	97.7	Very high	95.4	Very high	103 Å²	103	40.9 Å²	40.9	39%	0.389	20%	0.199	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.6	141	-177.8	179.5	174.1	65.2	-94.9	0.5	110.8	Y109	R97-Y109 HydrophobicContact CG-CD2 4.42Å; R97-Y109 PolarHBondContact N-O 3.4Å; R97-Y109 PolarHBondContact O-N 3.49Å
98	L	98.1	Very high	95.5	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	154.2	172.5	-56.3	85.6	0	0	0	110.3	S81 V82 P84 I88 V95 I106 R107 M108 L138 I140 I161	S81-L98 CarbonylContact C-O 3.24Å; S81-L98 WeakPolarHBondContact CA-O 3.16Å; V82-L98 HydrophobicContact CB-CB 4.4Å; V82-L98 PolarHBondContact N-O 3.48Å; V82-L98 PolarHBondContact O-N 2.81Å; P84-L98 HydrophobicContact CB-CD1 4.22Å; P84-L98 HydrophobicContact CG-CD1 3.85Å; I88-L98 HydrophobicContact CD1-CD1 3.91Å; V95-L98 HydrophobicContact CG1-CD1 4.41Å; V95-L98 HydrophobicContact CG1-CG 4.5Å; L98-I106 HydrophobicContact CB-CG2 4.24Å; L98-I106 HydrophobicContact CD2-CG2 3.6Å; L98-I106 HydrophobicContact CG-CG2 4.48Å; L98-R107 CarbonylContact C-O 3.49Å; L98-R107 WeakPolarHBondContact CA-O 3.26Å; L98-M108 HydrophobicContact CD2-CE 4.09Å; L98-M108 HydrophobicContact CD2-CG 4.14Å; L98-M108 HydrophobicContact CG-CG 4.26Å; L98-L138 HydrophobicContact CD1-CD2 3.9Å; L98-L138 HydrophobicContact CD2-CD2 3.91Å; L98-I140 HydrophobicContact CD2-CD1 4.28Å; L98-I161 HydrophobicContact CD2-CD1 3.79Å
99	Y	97.8	Very high	95.5	Very high	66 Å²	66	38.5 Å²	38.5	26%	0.259	18%	0.183	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	122.7	169.5	-176.9	-105.9	0	0	0	109.3	D79 V80 E101 I106 R107	D79-Y99 WeakPolarHBondContact CB-OH 3.24Å; D79-Y99 WeakPolarHBondContact O-CE2 3.05Å; V80-Y99 WeakPolarHBondContact O-CA 3.19Å; Y99-E101 HydrophobicContact CD1-CG 4Å; Y99-E101 HydrophobicContact CE1-CG 3.9Å; Y99-I106 CarbonylContact O-C 3.56Å; Y99-I106 WeakPolarHBondContact O-CA 3.2Å; Y99-R107 PolarHBondContact N-O 2.91Å; Y99-R107 PolarHBondContact O-N 3.25Å
100	I	97.2	Very high	95.5	Very high	2 Å²	2	34.9 Å²	34.9	1%	0.01	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	113.7	-176.1	-53.6	170.7	0	0	0	108.2	D79 V80 V82 I106 L129 I131 I140 L142	D79-I100 CarbonylContact C-O 3.56Å; D79-I100 WeakPolarHBondContact CA-O 3.23Å; D79-I100 PolarHBondContact N-O 2.84Å; V80-I100 HydrophobicContact CG1-CB 4.25Å; V80-I100 HydrophobicContact CG1-CD1 4.24Å; V80-I100 PolarHBondContact N-O 2.83Å; V80-I100 PolarHBondContact O-N 3.08Å; V82-I100 HydrophobicContact CG2-CD1 3.74Å; V82-I100 HydrophobicContact CG2-CG1 4.35Å; I100-I106 HydrophobicContact CG1-CG1 4.31Å; I100-I106 HydrophobicContact CG1-CG2 4.32Å; I100-I106 HydrophobicContact CG2-CG1 4.36Å; I100-L129 HydrophobicContact CB-CD2 4.2Å; I100-L129 HydrophobicContact CD1-CD1 4.06Å; I100-L129 HydrophobicContact CD1-CD2 4.11Å; I100-L129 HydrophobicContact CG2-CD1 4.11Å; I100-L129 HydrophobicContact CG2-CD2 3.88Å; I100-I131 HydrophobicContact CD1-CD1 3.65Å; I100-I131 HydrophobicContact CD1-CG1 4.33Å; I100-I140 HydrophobicContact CD1-CD1 3.78Å; I100-I140 HydrophobicContact CD1-CG1 4Å; I100-I140 HydrophobicContact CD1-CG2 3.84Å; I100-I140 HydrophobicContact CG1-CD1 4.31Å; I100-L142 HydrophobicContact CG2-CD2 4.27Å
101	E	95.3	Very high	95.2	Very high	44 Å²	44	44.2 Å²	44.2	21%	0.206	21%	0.214	C	C	.	.			trans	-82.8	155.9	178.1	-60.6	-160.2	128	0	0	112.9	D79 Y99 S103 G104 T105 R107	D79-E101 WeakPolarHBondContact OD1-CA 3.48Å; Y99-E101 HydrophobicContact CD1-CG 4Å; Y99-E101 HydrophobicContact CE1-CG 3.9Å; E101-S103 WeakPolarHBondContact CB-OG 3.17Å; E101-S103 PolarHBondContact O-N 2.79Å; E101-S103 VanDerWaalsContact O-N 3.14Å; E101-S103 PolarHBondContact OE2-OG 3.24Å; E101-G104 PolarHBondContact O-N 2.8Å; E101-T105 PolarHBondContact N-O 2.86Å; E101-T105 WeakPolarHBondContact OE2-CB 3.34Å; E101-R107 IonicContact OE1-CZ 3.5Å; E101-R107 IonicContact OE1-NH1 3.66Å; E101-R107 PolarHBondContact OE1-NH1 2.79Å; E101-R107 IonicContact OE1-NH2 2.88Å; E101-R107 PolarHBondContact OE1-NH2 3.03Å; E101-R107 IonicContact OE2-CZ 3.91Å; E101-R107 IonicContact OE2-NH1 2.76Å; E101-R107 IonicContact OE2-NH2 3.05Å; E101-R107 PolarHBondContact OE2-NH2 3.19Å
102	G	92.8	Very high	95.1	Very high	11 Å²	11	45.5 Å²	45.5	11%	0.113	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.6	-17.2	169	0	0	0	0	0	115.7	D79 G104 D125 V126	D79-G102 PolarHBondContact OD1-N 2.93Å; G102-G104 VanDerWaalsContact C-N 3.26Å; G102-G104 PolarHBondContact O-N 2.87Å; G102-D125 WeakPolarHBondContact O-CA 3.16Å; G102-V126 WeakPolarHBondContact O-CB 3.2Å; G102-V126 WeakPolarHBondContact O-CG2 2.92Å; G102-V126 PolarHBondContact O-N 2.82Å
103	S	92.7	Very high	95.4	Very high	31 Å²	31	46.4 Å²	46.4	22%	0.217	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.4	-12.5	170.7	66.1	0	0	0	0	113.8	E101 T105 F120 Y144	E101-S103 WeakPolarHBondContact CB-OG 3.17Å; E101-S103 PolarHBondContact O-N 2.79Å; E101-S103 VanDerWaalsContact O-N 3.14Å; E101-S103 PolarHBondContact OE2-OG 3.24Å; S103-T105 WeakPolarHBondContact OG-CB 3.32Å; S103-T105 PolarHBondContact OG-N 2.8Å; S103-T105 PolarHBondContact OG-OG1 2.9Å; S103-T105 VanDerWaalsContact OG-OG1 3.1Å; S103-F120 WeakPolarHBondContact O-CD2 3.36Å; S103-Y144 PolarHBondContact O-OH 3.47Å; S103-Y144 VanDerWaalsContact O-OH 3.05Å
104	G	94.2	Very high	95.5	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	23%	0.227	C	C	.	.	S	Bend	trans	86.4	6.6	-170	0	0	0	0	0	115.4	E101 G102 N119 Y144	E101-G104 PolarHBondContact O-N 2.8Å; G102-G104 VanDerWaalsContact C-N 3.26Å; G102-G104 PolarHBondContact O-N 2.87Å; G104-N119 PolarHBondContact O-N 2.94Å; G104-Y144 VanDerWaalsContact CA-OH 3.23Å; G104-Y144 WeakPolarHBondContact CA-OH 3.18Å
105	T	96.4	Very high	94.9	Very high	29 Å²	29	44.3 Å²	44.3	18%	0.178	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	124	171	-58.4	0	0	0	0	110	E101 S103 R107 V118	E101-T105 PolarHBondContact N-O 2.86Å; E101-T105 WeakPolarHBondContact OE2-CB 3.34Å; S103-T105 WeakPolarHBondContact OG-CB 3.32Å; S103-T105 PolarHBondContact OG-N 2.8Å; S103-T105 PolarHBondContact OG-OG1 2.9Å; S103-T105 VanDerWaalsContact OG-OG1 3.1Å; T105-R107 HydrophobicContact CG2-CG 3.95Å; T105-V118 HydrophobicContact CG2-CG2 4.19Å
106	I	97.7	Very high	94.9	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	99.4	173.4	-54.5	167.1	0	0	0	107.2	L98 Y99 I100 G116 I117 I140	L98-I106 HydrophobicContact CB-CG2 4.24Å; L98-I106 HydrophobicContact CD2-CG2 3.6Å; L98-I106 HydrophobicContact CG-CG2 4.48Å; Y99-I106 CarbonylContact O-C 3.56Å; Y99-I106 WeakPolarHBondContact O-CA 3.2Å; I100-I106 HydrophobicContact CG1-CG1 4.31Å; I100-I106 HydrophobicContact CG1-CG2 4.32Å; I100-I106 HydrophobicContact CG2-CG1 4.36Å; I106-G116 CarbonylContact O-C 3.58Å; I106-G116 WeakPolarHBondContact O-CA 3.46Å; I106-I117 HydrophobicContact CB-CB 4.16Å; I106-I117 HydrophobicContact CD1-CB 4.23Å; I106-I117 HydrophobicContact CD1-CG2 4.08Å; I106-I117 PolarHBondContact N-O 3.12Å; I106-I117 PolarHBondContact O-N 3.14Å; I106-I140 HydrophobicContact CD1-CB 4.1Å; I106-I140 HydrophobicContact CD1-CD1 3.85Å; I106-I140 HydrophobicContact CD1-CG2 3.78Å; I106-I140 HydrophobicContact CG1-CD1 4.42Å; I106-I140 HydrophobicContact CG1-CG2 4.43Å; I106-I140 HydrophobicContact CG2-CD1 4.03Å
107	R	97.6	Very high	94.9	Very high	94 Å²	94	41 Å²	41	36%	0.355	21%	0.209	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	135.2	175.5	-61.7	-154.3	-178.3	84.8	11	110.8	L98 Y99 E101 T105 Y109	L98-R107 CarbonylContact C-O 3.49Å; L98-R107 WeakPolarHBondContact CA-O 3.26Å; Y99-R107 PolarHBondContact N-O 2.91Å; Y99-R107 PolarHBondContact O-N 3.25Å; E101-R107 IonicContact OE1-CZ 3.5Å; E101-R107 IonicContact OE1-NH1 3.66Å; E101-R107 PolarHBondContact OE1-NH1 2.79Å; E101-R107 IonicContact OE1-NH2 2.88Å; E101-R107 PolarHBondContact OE1-NH2 3.03Å; E101-R107 IonicContact OE2-CZ 3.91Å; E101-R107 IonicContact OE2-NH1 2.76Å; E101-R107 IonicContact OE2-NH2 3.05Å; E101-R107 PolarHBondContact OE2-NH2 3.19Å; T105-R107 HydrophobicContact CG2-CG 3.95Å; R107-Y109 HydrophobicContact CB-CE2 3.72Å
108	M	97.8	Very high	94.9	Very high	1 Å²	1	37.9 Å²	37.9	1%	0.005	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	146.6	175.3	-57.3	-171.2	-179.1	0	0	111.3	F90 V95 L98 V114 E115 I117 I161	F90-M108 HydrophobicContact CB-SD 4.33Å; F90-M108 HydrophobicContact CD1-SD 4.01Å; F90-M108 HydrophobicContact CD2-SD 4.11Å; F90-M108 HydrophobicContact CE1-SD 4.3Å; F90-M108 HydrophobicContact CE2-SD 4.39Å; F90-M108 HydrophobicContact CG-SD 3.88Å; F90-M108 HydrophobicContact CZ-SD 4.46Å; V95-M108 HydrophobicContact CB-CB 4.49Å; V95-M108 HydrophobicContact CG1-CB 3.76Å; V95-M108 HydrophobicContact CG1-CG 4.2Å; V95-M108 HydrophobicContact CG1-SD 4.27Å; V95-M108 HydrophobicContact CG2-CB 3.86Å; V95-M108 HydrophobicContact CG2-SD 4.35Å; L98-M108 HydrophobicContact CD2-CE 4.09Å; L98-M108 HydrophobicContact CD2-CG 4.14Å; L98-M108 HydrophobicContact CG-CG 4.26Å; M108-V114 HydrophobicContact CB-CG2 3.85Å; M108-V114 PolarHBondContact O-N 3.18Å; M108-V114 VanDerWaalsContact O-N 3.16Å; M108-E115 WeakPolarHBondContact CB-O 2.97Å; M108-I117 HydrophobicContact CE-CD1 3.59Å; M108-I117 HydrophobicContact CE-CG1 3.96Å; M108-I161 HydrophobicContact CE-CD1 3.62Å; M108-I161 HydrophobicContact CE-CG1 4.26Å
109	Y	97.4	Very high	94.8	Very high	49 Å²	49	37.9 Å²	37.9	19%	0.192	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	143.5	-178.3	-56.5	-93	0	0	0	111.2	V95 D96 R97 R107 G112 P113	V95-Y109 WeakPolarHBondContact CA-O 3.16Å; D96-Y109 PolarHBondContact N-O 2.77Å; R97-Y109 HydrophobicContact CG-CD2 4.42Å; R97-Y109 PolarHBondContact N-O 3.4Å; R97-Y109 PolarHBondContact O-N 3.49Å; R107-Y109 HydrophobicContact CB-CE2 3.72Å; Y109-G112 WeakPolarHBondContact CA-O 3.47Å; Y109-P113 HydrophobicContact CD1-CB 4.36Å; Y109-P113 HydrophobicContact CD1-CG 4.33Å; Y109-P113 HydrophobicContact CE1-CB 4.3Å; Y109-P113 HydrophobicContact CE1-CG 4.18Å
110	S	94.4	Very high	94.5	Very high	25 Å²	25	37.7 Å²	37.7	18%	0.175	20%	0.202	C	C	.	.	S	Bend	trans	-122.5	-122.3	164.8	-172.2	0	0	0	0	107.4	D94 G112	D94-S110 WeakPolarHBondContact O-CB 3.26Å; D94-S110 PolarHBondContact O-OG 2.81Å; S110-G112 PolarHBondContact N-O 2.82Å; S110-G112 PolarHBondContact O-N 2.81Å
111	E	90.3	Very high	94.2	Very high	197 Å²	197	37.7 Å²	37.7	92%	0.921	20%	0.202	S	C	*	.	S	Bend	trans	-60.3	-27.7	167.9	-64.2	-174.6	179.1	0	0	112.6
112	G	91.2	Very high	93.9	Very high	30 Å²	30	40 Å²	40	31%	0.309	21%	0.212	S	C	.	.	S	Bend	trans	-147.9	-170.9	173.3	0	0	0	0	0	111.2	Y109 S110	Y109-G112 WeakPolarHBondContact CA-O 3.47Å; S110-G112 PolarHBondContact N-O 2.82Å; S110-G112 PolarHBondContact O-N 2.81Å
113	P	92.6	Very high	93.6	Very high	103 Å²	103	47 Å²	47	67%	0.669	24%	0.241	S	C	*	.	B	Isolated β-bridge	trans	-61.8	134.7	170	-16.1	30.2	0	0	0	110.4	Y109	Y109-P113 HydrophobicContact CD1-CB 4.36Å; Y109-P113 HydrophobicContact CD1-CG 4.33Å; Y109-P113 HydrophobicContact CE1-CB 4.3Å; Y109-P113 HydrophobicContact CE1-CG 4.18Å
114	V	93.7	Very high	93.4	Very high	7 Å²	7	48.3 Å²	48.3	4%	0.042	24%	0.243	C	C	.	.			trans	-120.1	8.4	178.3	-59.2	0	0	0	0	113.1	F90 N93 V95 M108 G189 V190	F90-V114 HydrophobicContact CD1-CG2 3.95Å; N93-V114 HydrophobicContact CB-CB 4.3Å; N93-V114 HydrophobicContact CB-CG1 3.82Å; V95-V114 HydrophobicContact CG2-CG2 3.5Å; M108-V114 HydrophobicContact CB-CG2 3.85Å; M108-V114 PolarHBondContact O-N 3.18Å; M108-V114 VanDerWaalsContact O-N 3.16Å; V114-G189 WeakPolarHBondContact O-CA 3.39Å; V114-V190 PolarHBondContact O-N 2.79Å
115	E	84.3	Confident	93.3	Very high	63 Å²	63	54.2 Å²	54.2	29%	0.294	28%	0.275	S	S	.	.			trans	63.4	170.4	-168.5	-158.7	174.6	-165.4	0	0	112.9	F90 M108 S188 G189 V190	F90-E115 WeakPolarHBondContact CE1-O 3.41Å; M108-E115 WeakPolarHBondContact CB-O 2.97Å; E115-S188 CarbonylContact C-O 3.56Å; E115-S188 VanDerWaalsContact C-O 3.24Å; E115-S188 WeakPolarHBondContact CB-O 3.43Å; E115-S188 WeakPolarHBondContact CG-O 3.32Å; E115-S188 WeakPolarHBondContact CG-OG 3.26Å; E115-S188 VanDerWaalsContact OE1-CB 3.23Å; E115-S188 WeakPolarHBondContact OE1-CB 3.46Å; E115-S188 PolarHBondContact OE1-OG 3Å; E115-S188 VanDerWaalsContact OE2-CB 3.24Å; E115-S188 WeakPolarHBondContact OE2-CB 3.48Å; E115-S188 PolarHBondContact OE2-OG 2.93Å; E115-G189 PolarHBondContact OE2-N 3.06Å; E115-V190 HydrophobicContact CB-CG2 3.81Å; E115-V190 WeakPolarHBondContact OE2-CG2 3.36Å
116	G	96.8	Very high	93.2	Very high	6 Å²	6	53.2 Å²	53.2	6%	0.062	27%	0.269	C	S	.	.			trans	-159.8	-147	-160.8	0	0	0	0	0	113.5	I106 F187 S188	I106-G116 CarbonylContact O-C 3.58Å; I106-G116 WeakPolarHBondContact O-CA 3.46Å; G116-F187 CarbonylContact O-C 3.6Å; G116-F187 WeakPolarHBondContact O-CA 3.45Å; G116-F187 VanDerWaalsContact O-CB 3.26Å; G116-F187 WeakPolarHBondContact O-CB 3.21Å; G116-S188 PolarHBondContact N-O 2.69Å; G116-S188 VanDerWaalsContact N-O 3.12Å; G116-S188 PolarHBondContact O-N 3.05Å
117	I	98.1	Very high	93.1	Very high	0 Å²	0	55.7 Å²	55.7	0%	0	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	139.4	-172.7	-67.5	164.1	0	0	0	109.4	I106 M108 N119 I161 I167 F169 F187	I106-I117 HydrophobicContact CB-CB 4.16Å; I106-I117 HydrophobicContact CD1-CB 4.23Å; I106-I117 HydrophobicContact CD1-CG2 4.08Å; I106-I117 PolarHBondContact N-O 3.12Å; I106-I117 PolarHBondContact O-N 3.14Å; M108-I117 HydrophobicContact CE-CD1 3.59Å; M108-I117 HydrophobicContact CE-CG1 3.96Å; I117-N119 VanDerWaalsContact CG2-ND2 3.26Å; I117-N119 WeakPolarHBondContact CG2-ND2 3.5Å; I117-I161 HydrophobicContact CD1-CD1 3.88Å; I117-I161 HydrophobicContact CD1-CG1 3.85Å; I117-I167 HydrophobicContact CD1-CG2 3.85Å; I117-I167 HydrophobicContact CG1-CG2 4.43Å; I117-F169 HydrophobicContact CD1-CE1 4.35Å; I117-F169 HydrophobicContact CG1-CE1 4.37Å; I117-F169 HydrophobicContact CG1-CZ 4.42Å; I117-F169 HydrophobicContact CG2-CE1 3.49Å; I117-F169 VanDerWaalsContact CG2-CE1 3.49Å; I117-F169 HydrophobicContact CG2-CZ 3.85Å; I117-F187 HydrophobicContact CB-CB 4.4Å; I117-F187 HydrophobicContact CG1-CB 3.8Å
118	V	96.6	Very high	93	Very high	37 Å²	37	52.5 Å²	52.5	22%	0.224	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	120.8	171.5	-179.7	0	0	0	0	108.2	T105 F120 S185 L186	T105-V118 HydrophobicContact CG2-CG2 4.19Å; V118-F120 HydrophobicContact CG1-CB 4.12Å; V118-S185 VanDerWaalsContact O-CA 3.31Å; V118-S185 WeakPolarHBondContact O-CA 3.5Å; V118-L186 HydrophobicContact CB-CD1 3.81Å; V118-L186 HydrophobicContact CB-CG 4.04Å; V118-L186 HydrophobicContact CG2-CD1 3.85Å; V118-L186 PolarHBondContact N-O 2.87Å; V118-L186 PolarHBondContact O-N 2.83Å
119	N	96	Very high	93	Very high	0 Å²	0	52.5 Å²	52.5	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	118.5	164	-68.3	-80.6	0	0	0	107.5	G104 I117 L142 Y144 V157 S159 Y184 S185	G104-N119 PolarHBondContact O-N 2.94Å; I117-N119 VanDerWaalsContact CG2-ND2 3.26Å; I117-N119 WeakPolarHBondContact CG2-ND2 3.5Å; N119-L142 HydrophobicContact CB-CD1 4.1Å; N119-Y144 PolarHBondContact O-OH 2.87Å; N119-V157 HydrophobicContact CB-CG1 3.76Å; N119-S159 PolarHBondContact ND2-OG 2.89Å; N119-Y184 CarbonylContact C-O 3.57Å; N119-Y184 WeakPolarHBondContact CA-O 3.31Å; N119-S185 WeakPolarHBondContact OD1-CB 3.47Å; N119-S185 PolarHBondContact OD1-OG 3.17Å
120	F	91.2	Very high	93	Very high	63 Å²	63	51.8 Å²	51.8	28%	0.276	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	140.5	-166.3	177	-117.5	0	0	0	111.5	S103 V118 K122 Y184	S103-F120 WeakPolarHBondContact O-CD2 3.36Å; V118-F120 HydrophobicContact CG1-CB 4.12Å; F120-K122 HydrophobicContact CE1-CB 4.15Å; F120-K122 HydrophobicContact CE1-CG 4.49Å; F120-Y184 HydrophobicContact CD1-CD2 4.26Å; F120-Y184 PolarHBondContact N-O 3.15Å; F120-Y184 PolarHBondContact O-N 3.07Å
121	L	91.8	Very high	93.2	Very high	1 Å²	1	51.4 Å²	51.4	1%	0.005	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	120.8	162.5	179.3	66.3	0	0	0	108.3	E123 F124 Y144 K146 F155 F178 D182 V183	L121-E123 PolarHBondContact O-N 3.37Å; L121-F124 HydrophobicContact CB-CB 4.31Å; L121-F124 HydrophobicContact CD2-CB 3.88Å; L121-F124 HydrophobicContact CD2-CD2 3.82Å; L121-F124 HydrophobicContact CD2-CG 3.91Å; L121-F124 HydrophobicContact CG-CB 4.12Å; L121-F124 HydrophobicContact CG-CD2 3.91Å; L121-F124 HydrophobicContact CG-CG 4.32Å; L121-F124 PolarHBondContact O-N 2.73Å; L121-Y144 HydrophobicContact CB-CD1 3.77Å; L121-Y144 HydrophobicContact CB-CD2 4.29Å; L121-Y144 HydrophobicContact CB-CE1 4.23Å; L121-Y144 HydrophobicContact CB-CG 3.79Å; L121-Y144 HydrophobicContact CD2-CG 4.29Å; L121-K146 HydrophobicContact CD2-CB 4.39Å; L121-F155 HydrophobicContact CB-CD1 4.04Å; L121-F155 HydrophobicContact CD2-CB 4.44Å; L121-F178 HydrophobicContact CD1-CD1 3.72Å; L121-F178 HydrophobicContact CD1-CD2 4.48Å; L121-F178 HydrophobicContact CD1-CE1 3.58Å; L121-F178 HydrophobicContact CD1-CE2 4.36Å; L121-F178 HydrophobicContact CD1-CG 4.19Å; L121-F178 HydrophobicContact CD1-CZ 3.93Å; L121-F178 HydrophobicContact CD2-CE1 3.78Å; L121-F178 HydrophobicContact CD2-CZ 3.74Å; L121-F178 HydrophobicContact CG-CE1 4.33Å; L121-D182 CarbonylContact C-O 3.58Å; L121-D182 WeakPolarHBondContact CA-O 3.14Å; L121-D182 HydrophobicContact CD1-CB 4.17Å; L121-V183 HydrophobicContact CD1-CG1 3.75Å
122	K	89.3	Confident	93.5	Very high	94 Å²	94	42.8 Å²	42.8	41%	0.409	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-51.2	120.1	-175.9	-174.3	177.6	174.9	-171.2	0	112.5	F120 F124 D182	F120-K122 HydrophobicContact CE1-CB 4.15Å; F120-K122 HydrophobicContact CE1-CG 4.49Å; K122-F124 VanDerWaalsContact C-N 3.31Å; K122-F124 WeakPolarHBondContact O-CD2 3.26Å; K122-F124 PolarHBondContact O-N 2.81Å; K122-D182 WeakPolarHBondContact CB-O 3.48Å; K122-D182 PolarHBondContact N-O 3.18Å
123	E	85.3	Confident	93.8	Very high	158 Å²	158	44.5 Å²	44.5	74%	0.738	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	70	16.2	178.1	-60.1	163.2	-153.6	0	0	115.2	L121	L121-E123 PolarHBondContact O-N 3.37Å
124	F	89.4	Confident	93.9	Very high	58 Å²	58	41 Å²	41	25%	0.254	22%	0.217	S	C	.	.	B	Isolated β-bridge	trans	-126.6	141.2	176.4	-68.1	-90.1	0	0	0	112.2	L121 K122 Y144 K146	L121-F124 HydrophobicContact CB-CB 4.31Å; L121-F124 HydrophobicContact CD2-CB 3.88Å; L121-F124 HydrophobicContact CD2-CD2 3.82Å; L121-F124 HydrophobicContact CD2-CG 3.91Å; L121-F124 HydrophobicContact CG-CB 4.12Å; L121-F124 HydrophobicContact CG-CD2 3.91Å; L121-F124 HydrophobicContact CG-CG 4.32Å; L121-F124 PolarHBondContact O-N 2.73Å; K122-F124 VanDerWaalsContact C-N 3.31Å; K122-F124 WeakPolarHBondContact O-CD2 3.26Å; K122-F124 PolarHBondContact O-N 2.81Å; F124-Y144 HydrophobicContact CB-CD1 4.29Å; F124-K146 HydrophobicContact CD1-CB 4.17Å; F124-K146 HydrophobicContact CD2-CD 4.45Å; F124-K146 HydrophobicContact CE1-CB 3.78Å; F124-K146 HydrophobicContact CE1-CD 4.38Å; F124-K146 HydrophobicContact CE1-CG 3.73Å; F124-K146 HydrophobicContact CE2-CB 4.21Å; F124-K146 HydrophobicContact CE2-CD 3.59Å; F124-K146 HydrophobicContact CE2-CG 3.89Å; F124-K146 HydrophobicContact CZ-CB 3.85Å; F124-K146 HydrophobicContact CZ-CD 3.57Å; F124-K146 HydrophobicContact CZ-CG 3.37Å
125	D	91.2	Very high	94	Very high	123 Å²	123	49.5 Å²	49.5	66%	0.658	25%	0.253	S	S	*	.			trans	-86.3	157.8	169.3	-64.8	-43.6	0	0	0	110.9	G102 S127 Y144	G102-D125 WeakPolarHBondContact O-CA 3.16Å; D125-S127 PolarHBondContact O-N 2.77Å; D125-Y144 WeakPolarHBondContact O-CD1 3.5Å
126	V	94.6	Very high	94.5	Very high	9 Å²	9	54.2 Å²	54.2	6%	0.055	28%	0.275	C	S	.	.			trans	-58.5	132	172.4	176.5	0	0	0	0	108.8	I78 G102 N128 L142 Y144	I78-V126 HydrophobicContact CD1-CB 4.17Å; I78-V126 HydrophobicContact CD1-CG1 4.15Å; I78-V126 WeakPolarHBondContact CD1-O 3.46Å; I78-V126 HydrophobicContact CG1-CG1 4.35Å; G102-V126 WeakPolarHBondContact O-CB 3.2Å; G102-V126 WeakPolarHBondContact O-CG2 2.92Å; G102-V126 PolarHBondContact O-N 2.82Å; V126-N128 VanDerWaalsContact CG1-O 3.25Å; V126-N128 WeakPolarHBondContact CG1-O 3.37Å; V126-L142 HydrophobicContact CG1-CD2 4.06Å; V126-L142 HydrophobicContact CG2-CB 4.43Å; V126-L142 HydrophobicContact CG2-CD1 4.49Å; V126-L142 HydrophobicContact CG2-CD2 4.05Å; V126-Y144 HydrophobicContact CB-CE1 4.39Å; V126-Y144 HydrophobicContact CG2-CD1 4.47Å; V126-Y144 HydrophobicContact CG2-CE1 3.65Å; V126-Y144 HydrophobicContact CG2-CE2 4.27Å; V126-Y144 WeakPolarHBondContact CG2-OH 3.38Å
127	S	95	Very high	94.5	Very high	51 Å²	51	55.1 Å²	55.1	36%	0.357	28%	0.278	S	S	.	.	S	Bend	trans	-96.1	-29.7	176.2	66.6	0	0	0	0	112.7	D125 T143 H145	D125-S127 PolarHBondContact O-N 2.77Å; S127-T143 WeakPolarHBondContact CA-O 3.28Å; S127-T143 PolarHBondContact N-O 2.82Å; S127-T143 PolarHBondContact OG-O 3.23Å; S127-H145 PolarHBondContact OG-CD2 3.16Å
128	N	96.3	Very high	94.5	Very high	27 Å²	27	55.1 Å²	55.1	14%	0.144	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	131.7	178.6	-164	39	0	0	0	110.3	K75 V126 E130 T143	K75-N128 WeakPolarHBondContact CD-OD1 3.44Å; K75-N128 WeakPolarHBondContact CE-OD1 3.16Å; K75-N128 WeakPolarHBondContact CG-OD1 3.44Å; K75-N128 PolarHBondContact NZ-OD1 2.84Å; V126-N128 VanDerWaalsContact CG1-O 3.25Å; V126-N128 WeakPolarHBondContact CG1-O 3.37Å; N128-E130 WeakPolarHBondContact ND2-CG 3.49Å; N128-T143 PolarHBondContact N-O 3.3Å; N128-T143 PolarHBondContact O-N 2.83Å
129	L	97.5	Very high	94.6	Very high	2 Å²	2	53.4 Å²	53.4	1%	0.01	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	124.3	172.1	170.8	58.8	0	0	0	108.5	V76 I78 V80 I100 I131 I140 L142	V76-L129 PolarHBondContact N-O 3.3Å; I78-L129 HydrophobicContact CG1-CB 4.34Å; V80-L129 HydrophobicContact CG1-CD2 3.53Å; I100-L129 HydrophobicContact CB-CD2 4.2Å; I100-L129 HydrophobicContact CD1-CD1 4.06Å; I100-L129 HydrophobicContact CD1-CD2 4.11Å; I100-L129 HydrophobicContact CG2-CD1 4.11Å; I100-L129 HydrophobicContact CG2-CD2 3.88Å; L129-I131 HydrophobicContact CD1-CD1 4.27Å; L129-I131 HydrophobicContact CD1-CG1 3.91Å; L129-I131 HydrophobicContact CD2-CD1 4.22Å; L129-I131 HydrophobicContact CG-CD1 4.24Å; L129-I131 HydrophobicContact CG-CG1 4.13Å; L129-I140 HydrophobicContact CD1-CG2 3.79Å; L129-L142 HydrophobicContact CD1-CD2 3.62Å
130	E	97.9	Very high	94.7	Very high	33 Å²	33	53.4 Å²	53.4	15%	0.154	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	134.6	175.1	-57.5	175.1	92.6	0	0	109.4	F73 E74 N128 R141 K156	F73-E130 HydrophobicContact CB-CB 4.09Å; F73-E130 HydrophobicContact CD1-CB 3.88Å; F73-E130 HydrophobicContact CG-CB 4.31Å; E74-E130 CarbonylContact O-C 3.39Å; E74-E130 VanDerWaalsContact O-CA 3.26Å; E74-E130 WeakPolarHBondContact O-CA 3.12Å; N128-E130 WeakPolarHBondContact ND2-CG 3.49Å; E130-R141 HydrophobicContact CB-CB 4.14Å; E130-R141 HydrophobicContact CB-CG 4.45Å; E130-R141 PolarHBondContact N-O 2.98Å; E130-R141 PolarHBondContact O-N 3.46Å; E130-R141 WeakPolarHBondContact OE2-CD 3.48Å; E130-R141 IonicContact OE2-NH1 2.97Å; E130-K156 IonicContact OE2-NZ 2.69Å
131	I	97.9	Very high	95	Very high	17 Å²	17	50.5 Å²	50.5	9%	0.087	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	140.1	-176	-57.5	177.8	0	0	0	109.9	E74 V76 V80 V82 I100 L129 N133 L138 A139	E74-I131 PolarHBondContact N-O 2.96Å; E74-I131 PolarHBondContact O-N 2.03Å; V76-I131 HydrophobicContact CB-CD1 4.34Å; V76-I131 HydrophobicContact CG2-CB 4.28Å; V76-I131 HydrophobicContact CG2-CD1 4.1Å; V76-I131 HydrophobicContact CG2-CG1 4.22Å; V80-I131 HydrophobicContact CG1-CD1 4.19Å; V82-I131 HydrophobicContact CG2-CD1 3.7Å; I100-I131 HydrophobicContact CD1-CD1 3.65Å; I100-I131 HydrophobicContact CD1-CG1 4.33Å; L129-I131 HydrophobicContact CD1-CD1 4.27Å; L129-I131 HydrophobicContact CD1-CG1 3.91Å; L129-I131 HydrophobicContact CD2-CD1 4.22Å; L129-I131 HydrophobicContact CG-CD1 4.24Å; L129-I131 HydrophobicContact CG-CG1 4.13Å; I131-N133 HydrophobicContact CG2-CB 4.5Å; I131-L138 HydrophobicContact CG2-CD1 3.95Å; I131-A139 CarbonylContact C-O 3.53Å; I131-A139 WeakPolarHBondContact CA-O 3.28Å
132	S	97.6	Very high	95.3	Very high	16 Å²	16	50.4 Å²	50.4	11%	0.112	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	111.5	164.3	-163.7	0	0	0	0	109.5	I72 L138 A139	I72-S132 WeakPolarHBondContact CD1-OG 3.49Å; I72-S132 WeakPolarHBondContact CG1-OG 3.07Å; I72-S132 VanDerWaalsContact O-CB 3.3Å; I72-S132 WeakPolarHBondContact O-CB 3.08Å; I72-S132 PolarHBondContact O-OG 2.87Å; S132-L138 WeakPolarHBondContact O-CA 3.49Å; S132-A139 PolarHBondContact N-O 3.48Å; S132-A139 PolarHBondContact O-N 3.4Å
133	N	97	Very high	95.6	Very high	67 Å²	67	46.3 Å²	46.3	36%	0.358	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	73.8	-175.8	-172.6	17.4	0	0	0	110.5	A83 P84 A85 I131 L138	A83-N133 PolarHBondContact O-ND2 3.37Å; P84-N133 WeakPolarHBondContact CA-OD1 3.43Å; A85-N133 PolarHBondContact N-OD1 2.75Å; I131-N133 HydrophobicContact CG2-CB 4.5Å; N133-L138 HydrophobicContact CB-CD1 3.99Å
134	G	95.5	Very high	96.2	Very high	30 Å²	30	38.8 Å²	38.8	31%	0.309	20%	0.202	S	C	.	.			trans	-83.6	172.6	-178.8	0	0	0	0	0	113	A85 F86 E136 L137	A85-G134 WeakPolarHBondContact CB-O 3.29Å; F86-G134 VanDerWaalsContact CE1-O 3.3Å; F86-G134 WeakPolarHBondContact CE1-O 3.25Å; G134-E136 VanDerWaalsContact C-N 3.31Å; G134-L137 CarbonylContact C-O 3.57Å; G134-L137 WeakPolarHBondContact CA-O 3.37Å; G134-L137 PolarHBondContact N-O 2.82Å
135	K	94.5	Very high	96.3	Very high	185 Å²	185	40.6 Å²	40.6	80%	0.804	21%	0.211	S	C	*	.	S	Bend	trans	-74.5	-21.7	175.2	-67	-177.2	179.6	179.5	0	113.6
136	E	94.6	Very high	96.2	Very high	161 Å²	161	37 Å²	37	75%	0.752	19%	0.19	S	C	*	.	S	Bend	trans	-97.8	-31.1	-174.5	-63.9	179.7	172.1	0	0	112.4	G134 P163	G134-E136 VanDerWaalsContact C-N 3.31Å; E136-P163 WeakPolarHBondContact O-CD 3.42Å
137	L	96.8	Very high	95.9	Very high	26 Å²	26	44 Å²	44	14%	0.136	22%	0.222	C	C	.	.			trans	-159.1	158.3	178.6	65	86	0	0	0	110.8	V68 G134 A139 L160 I161 Y162	V68-L137 HydrophobicContact CG1-CD1 4.17Å; V68-L137 HydrophobicContact CG1-CD2 3.96Å; G134-L137 CarbonylContact C-O 3.57Å; G134-L137 WeakPolarHBondContact CA-O 3.37Å; G134-L137 PolarHBondContact N-O 2.82Å; L137-A139 HydrophobicContact CD1-CB 3.78Å; L137-L160 HydrophobicContact CD1-CD2 3.83Å; L137-L160 HydrophobicContact CD2-CD2 4.38Å; L137-I161 WeakPolarHBondContact CA-O 3.07Å; L137-Y162 HydrophobicContact CB-CD1 3.89Å; L137-Y162 HydrophobicContact CB-CE1 3.89Å; L137-Y162 HydrophobicContact CB-CG 4.41Å; L137-Y162 HydrophobicContact CD2-CE1 3.77Å
138	L	98	Very high	95.3	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	120.2	166	170.6	62.3	0	0	0	107.8	V82 P84 F86 I88 L98 I131 S132 N133 I140 L160 I161	V82-L138 HydrophobicContact CG1-CD1 4.27Å; V82-L138 HydrophobicContact CG1-CD2 4.49Å; P84-L138 HydrophobicContact CB-CD2 4.31Å; F86-L138 HydrophobicContact CZ-CB 4.15Å; I88-L138 HydrophobicContact CD1-CD2 4.44Å; L98-L138 HydrophobicContact CD1-CD2 3.9Å; L98-L138 HydrophobicContact CD2-CD2 3.91Å; I131-L138 HydrophobicContact CG2-CD1 3.95Å; S132-L138 WeakPolarHBondContact O-CA 3.49Å; N133-L138 HydrophobicContact CB-CD1 3.99Å; L138-I140 HydrophobicContact CD1-CG1 4.27Å; L138-I140 HydrophobicContact CD2-CD1 4.07Å; L138-I140 HydrophobicContact CG-CD1 4.22Å; L138-I140 HydrophobicContact CG-CG1 4.2Å; L138-L160 CarbonylContact O-C 3.56Å; L138-L160 WeakPolarHBondContact O-CA 3.34Å; L138-I161 HydrophobicContact CB-CB 4.41Å; L138-I161 HydrophobicContact CD2-CD1 4.14Å; L138-I161 PolarHBondContact N-O 3.32Å; L138-I161 PolarHBondContact O-N 3.36Å
139	A	98.2	Very high	94.8	Very high	0 Å²	0	51 Å²	51	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	126.2	173.8	0	0	0	0	0	110	F73 I131 S132 L137 T158 S159 L160	F73-A139 HydrophobicContact CE1-CB 3.67Å; F73-A139 HydrophobicContact CZ-CB 3.67Å; I131-A139 CarbonylContact C-O 3.53Å; I131-A139 WeakPolarHBondContact CA-O 3.28Å; S132-A139 PolarHBondContact N-O 3.48Å; S132-A139 PolarHBondContact O-N 3.4Å; L137-A139 HydrophobicContact CD1-CB 3.78Å; A139-T158 HydrophobicContact CB-CG2 4.39Å; A139-S159 CarbonylContact C-O 3.58Å; A139-S159 WeakPolarHBondContact CA-O 3.45Å; A139-L160 HydrophobicContact CB-CD2 3.73Å
140	I	98.1	Very high	94.1	Very high	0 Å²	0	54 Å²	54	0%	0	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	117.7	176.2	-65.2	164	0	0	0	107.4	L98 I100 I106 L129 L138 L142 T158 S159 I161	L98-I140 HydrophobicContact CD2-CD1 4.28Å; I100-I140 HydrophobicContact CD1-CD1 3.78Å; I100-I140 HydrophobicContact CD1-CG1 4Å; I100-I140 HydrophobicContact CD1-CG2 3.84Å; I100-I140 HydrophobicContact CG1-CD1 4.31Å; I106-I140 HydrophobicContact CD1-CB 4.1Å; I106-I140 HydrophobicContact CD1-CD1 3.85Å; I106-I140 HydrophobicContact CD1-CG2 3.78Å; I106-I140 HydrophobicContact CG1-CD1 4.42Å; I106-I140 HydrophobicContact CG1-CG2 4.43Å; I106-I140 HydrophobicContact CG2-CD1 4.03Å; L129-I140 HydrophobicContact CD1-CG2 3.79Å; L138-I140 HydrophobicContact CD1-CG1 4.27Å; L138-I140 HydrophobicContact CD2-CD1 4.07Å; L138-I140 HydrophobicContact CG-CD1 4.22Å; L138-I140 HydrophobicContact CG-CG1 4.2Å; I140-L142 HydrophobicContact CG2-CD2 4.24Å; I140-L142 HydrophobicContact CG2-CG 4.43Å; I140-T158 CarbonylContact O-C 3.49Å; I140-T158 WeakPolarHBondContact O-CA 3.38Å; I140-S159 PolarHBondContact N-O 2.73Å; I140-S159 PolarHBondContact O-N 3.01Å; I140-I161 HydrophobicContact CD1-CD1 4.33Å
141	R	98	Very high	93.6	Very high	2 Å²	2	58.3 Å²	58.3	1%	0.008	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	123.6	-177.1	170.1	-173.1	-77.9	178.1	-2.4	109.8	N70 F73 E130 K156 V157 T158 D172	N70-R141 PolarHBondContact OD1-NH1 2.77Å; N70-R141 PolarHBondContact OD1-NH2 3.2Å; F73-R141 HydrophobicContact CD1-CB 4.24Å; F73-R141 HydrophobicContact CE1-CB 3.78Å; F73-R141 VanDerWaalsContact CE2-CZ 3.42Å; F73-R141 HydrophobicContact CZ-CB 4.33Å; E130-R141 HydrophobicContact CB-CB 4.14Å; E130-R141 HydrophobicContact CB-CG 4.45Å; E130-R141 PolarHBondContact N-O 2.98Å; E130-R141 PolarHBondContact O-N 3.46Å; E130-R141 WeakPolarHBondContact OE2-CD 3.48Å; E130-R141 IonicContact OE2-NH1 2.97Å; R141-K156 HydrophobicContact CG-CG 4.42Å; R141-V157 WeakPolarHBondContact CA-O 3.49Å; R141-T158 HydrophobicContact CB-CG2 4.38Å; R141-T158 PolarHBondContact NE-OG1 3.1Å; R141-T158 VanDerWaalsContact NE-OG1 3.14Å; R141-D172 IonicContact CZ-OD1 2.71Å; R141-D172 IonicContact NE-OD1 2.67Å; R141-D172 IonicContact NH2-OD1 3.73Å; R141-D172 PolarHBondContact NH2-OD1 3.23Å
142	L	97.7	Very high	93.2	Very high	0 Å²	0	61.4 Å²	61.4	0%	0	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	132.5	-179.5	-57.4	175.8	0	0	0	108.5	I100 N119 V126 L129 I140 Y144 K156 V157	I100-L142 HydrophobicContact CG2-CD2 4.27Å; N119-L142 HydrophobicContact CB-CD1 4.1Å; V126-L142 HydrophobicContact CG1-CD2 4.06Å; V126-L142 HydrophobicContact CG2-CB 4.43Å; V126-L142 HydrophobicContact CG2-CD1 4.49Å; V126-L142 HydrophobicContact CG2-CD2 4.05Å; L129-L142 HydrophobicContact CD1-CD2 3.62Å; I140-L142 HydrophobicContact CG2-CD2 4.24Å; I140-L142 HydrophobicContact CG2-CG 4.43Å; L142-Y144 HydrophobicContact CB-CE2 4.06Å; L142-K156 WeakPolarHBondContact O-CA 3.33Å; L142-V157 HydrophobicContact CB-CG1 4.23Å; L142-V157 PolarHBondContact N-O 2.85Å; L142-V157 PolarHBondContact O-N 2.95Å
143	T	97.2	Very high	93	Very high	8 Å²	8	61.3 Å²	61.3	5%	0.049	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	128.4	171.5	-48.5	0	0	0	0	109.2	S127 N128 T154 F155 K156	S127-T143 WeakPolarHBondContact CA-O 3.28Å; S127-T143 PolarHBondContact N-O 2.82Å; S127-T143 PolarHBondContact OG-O 3.23Å; N128-T143 PolarHBondContact N-O 3.3Å; N128-T143 PolarHBondContact O-N 2.83Å; T143-T154 HydrophobicContact CG2-CG2 3.76Å; T143-F155 CarbonylContact C-O 3.53Å; T143-F155 WeakPolarHBondContact CA-O 3.49Å; T143-K156 HydrophobicContact CG2-CB 4.46Å
144	Y	96.2	Very high	92.9	Very high	0 Å²	0	59 Å²	59	0%	0	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	138.7	170.6	-59.7	-96.7	0	0	0	109	S103 G104 N119 L121 F124 D125 V126 L142 T154 F155	S103-Y144 PolarHBondContact O-OH 3.47Å; S103-Y144 VanDerWaalsContact O-OH 3.05Å; G104-Y144 VanDerWaalsContact CA-OH 3.23Å; G104-Y144 WeakPolarHBondContact CA-OH 3.18Å; N119-Y144 PolarHBondContact O-OH 2.87Å; L121-Y144 HydrophobicContact CB-CD1 3.77Å; L121-Y144 HydrophobicContact CB-CD2 4.29Å; L121-Y144 HydrophobicContact CB-CE1 4.23Å; L121-Y144 HydrophobicContact CB-CG 3.79Å; L121-Y144 HydrophobicContact CD2-CG 4.29Å; F124-Y144 HydrophobicContact CB-CD1 4.29Å; D125-Y144 WeakPolarHBondContact O-CD1 3.5Å; V126-Y144 HydrophobicContact CB-CE1 4.39Å; V126-Y144 HydrophobicContact CG2-CD1 4.47Å; V126-Y144 HydrophobicContact CG2-CE1 3.65Å; V126-Y144 HydrophobicContact CG2-CE2 4.27Å; V126-Y144 WeakPolarHBondContact CG2-OH 3.38Å; L142-Y144 HydrophobicContact CB-CE2 4.06Å; Y144-T154 WeakPolarHBondContact O-CA 3.44Å; Y144-F155 HydrophobicContact CD2-CB 4.3Å; Y144-F155 AromaticContact CD2-CD1 3.39Å; Y144-F155 HydrophobicContact CD2-CD1 3.39Å; Y144-F155 HydrophobicContact CD2-CE1 4.12Å; Y144-F155 HydrophobicContact CD2-CG 4.2Å; Y144-F155 WeakPolarHBondContact CD2-O 3.37Å; Y144-F155 AromaticContact CE2-CD1 3.75Å; Y144-F155 HydrophobicContact CE2-CD1 3.75Å; Y144-F155 HydrophobicContact CE2-CE1 4.02Å; Y144-F155 HydrophobicContact CG-CD1 4.2Å; Y144-F155 PolarHBondContact N-O 3.49Å; Y144-F155 PolarHBondContact O-N 3.4Å
145	H	92.7	Very high	93	Very high	96 Å²	96	57.6 Å²	57.6	44%	0.444	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	118.7	172.9	-71.6	-53.7	0	0	0	109.2	S127 F153 T154	S127-H145 PolarHBondContact OG-CD2 3.16Å; H145-F153 WeakPolarHBondContact CA-O 3.47Å; H145-T154 PolarHBondContact CE1-OG1 3.29Å; H145-T154 PolarHBondContact ND1-OG1 2.95Å
146	K	89.2	Confident	93.1	Very high	48 Å²	48	50.9 Å²	50.9	21%	0.209	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	127.2	171.6	170.6	175.8	-173.3	-175.1	0	108.5	L121 F124 S152 F153 F178	L121-K146 HydrophobicContact CD2-CB 4.39Å; F124-K146 HydrophobicContact CD1-CB 4.17Å; F124-K146 HydrophobicContact CD2-CD 4.45Å; F124-K146 HydrophobicContact CE1-CB 3.78Å; F124-K146 HydrophobicContact CE1-CD 4.38Å; F124-K146 HydrophobicContact CE1-CG 3.73Å; F124-K146 HydrophobicContact CE2-CB 4.21Å; F124-K146 HydrophobicContact CE2-CD 3.59Å; F124-K146 HydrophobicContact CE2-CG 3.89Å; F124-K146 HydrophobicContact CZ-CB 3.85Å; F124-K146 HydrophobicContact CZ-CD 3.57Å; F124-K146 HydrophobicContact CZ-CG 3.37Å; K146-S152 WeakPolarHBondContact O-CA 3.42Å; K146-F153 HydrophobicContact CB-CB 4.37Å; K146-F153 HydrophobicContact CD-CD2 4.32Å; K146-F153 HydrophobicContact CG-CD2 4.27Å; K146-F153 PolarHBondContact N-O 2.86Å; K146-F153 PolarHBondContact O-N 2.87Å; K146-F178 HydrophobicContact CB-CE1 4.12Å; K146-F178 HydrophobicContact CB-CZ 4.41Å; K146-F178 HydrophobicContact CD-CE1 3.83Å
147	Q	87.6	Confident	93.3	Very high	156 Å²	156	43.2 Å²	43.2	73%	0.729	24%	0.236	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-103	125.7	170	-166.5	174.1	21.5	0	0	109.2	E151	Q147-E151 WeakPolarHBondContact CA-O 3.49Å
148	D	83	Confident	93.3	Very high	66 Å²	66	42 Å²	42	35%	0.353	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	128.8	178	-173.2	10.8	0	0	0	109.5	G150 E151 F153	D148-G150 PolarHBondContact O-N 3.06Å; D148-E151 PolarHBondContact N-O 3.47Å; D148-E151 PolarHBondContact O-N 2.9Å; D148-F153 HydrophobicContact CB-CD2 4.28Å; D148-F153 HydrophobicContact CB-CE2 3.73Å
149	N	84.5	Confident	93.4	Very high	158 Å²	158	42 Å²	42	85%	0.845	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	48.6	27.7	-178.3	-61.6	-45.6	0	0	0	116	E151	N149-E151 VanDerWaalsContact C-N 3.32Å
150	G	83.6	Confident	93.3	Very high	66 Å²	66	42.1 Å²	42.1	68%	0.68	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	87.6	-5.9	-178.5	0	0	0	0	0	114.7	D148	D148-G150 PolarHBondContact O-N 3.06Å
151	E	87.8	Confident	93.3	Very high	122 Å²	122	42.1 Å²	42.1	57%	0.57	23%	0.231	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-88.7	151.9	169.2	-64.2	-177.3	171.6	0	0	110.2	Q147 D148 N149 F153	Q147-E151 WeakPolarHBondContact CA-O 3.49Å; D148-E151 PolarHBondContact N-O 3.47Å; D148-E151 PolarHBondContact O-N 2.9Å; N149-E151 VanDerWaalsContact C-N 3.32Å; E151-F153 HydrophobicContact CB-CE1 3.88Å; E151-F153 HydrophobicContact CB-CZ 3.76Å
152	S	88.8	Confident	93.3	Very high	82 Å²	82	44.4 Å²	44.4	57%	0.573	24%	0.24	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-117.7	123.5	179.4	179.5	0	0	0	0	109	K146	K146-S152 WeakPolarHBondContact O-CA 3.42Å
153	F	93.1	Very high	93.2	Very high	15 Å²	15	46.7 Å²	46.7	7%	0.066	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	135.7	179.1	-51.9	-51.5	0	0	0	109.9	H145 K146 D148 E151 A175 E177 F178	H145-F153 WeakPolarHBondContact CA-O 3.47Å; K146-F153 HydrophobicContact CB-CB 4.37Å; K146-F153 HydrophobicContact CD-CD2 4.32Å; K146-F153 HydrophobicContact CG-CD2 4.27Å; K146-F153 PolarHBondContact N-O 2.86Å; K146-F153 PolarHBondContact O-N 2.87Å; D148-F153 HydrophobicContact CB-CD2 4.28Å; D148-F153 HydrophobicContact CB-CE2 3.73Å; E151-F153 HydrophobicContact CB-CE1 3.88Å; E151-F153 HydrophobicContact CB-CZ 3.76Å; F153-A175 HydrophobicContact CB-CB 3.74Å; F153-A175 HydrophobicContact CD1-CB 4.3Å; F153-A175 HydrophobicContact CG-CB 4.39Å; F153-E177 HydrophobicContact CD1-CB 3.87Å; F153-E177 VanDerWaalsContact CD1-CD 3.5Å; F153-E177 HydrophobicContact CD1-CG 3.78Å; F153-E177 WeakPolarHBondContact CD1-OE2 3.38Å; F153-E177 HydrophobicContact CD2-CB 4.24Å; F153-E177 HydrophobicContact CE1-CB 3.71Å; F153-E177 HydrophobicContact CE1-CG 3.26Å; F153-E177 HydrophobicContact CE2-CB 4Å; F153-E177 HydrophobicContact CE2-CG 4.32Å; F153-E177 HydrophobicContact CG-CB 4.17Å; F153-E177 HydrophobicContact CZ-CB 3.77Å; F153-E177 HydrophobicContact CZ-CG 3.57Å; F153-F178 HydrophobicContact CB-CE1 3.98Å; F153-F178 HydrophobicContact CB-CE2 4.32Å; F153-F178 HydrophobicContact CB-CZ 3.69Å
154	T	95.7	Very high	93	Very high	18 Å²	18	51.5 Å²	51.5	11%	0.11	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	130.2	-177	-55.1	0	0	0	0	110.4	T143 Y144 H145 K156 E173 A175 F178	T143-T154 HydrophobicContact CG2-CG2 3.76Å; Y144-T154 WeakPolarHBondContact O-CA 3.44Å; H145-T154 PolarHBondContact CE1-OG1 3.29Å; H145-T154 PolarHBondContact ND1-OG1 2.95Å; T154-K156 HydrophobicContact CG2-CB 4.15Å; T154-E173 WeakPolarHBondContact CB-OE1 3.44Å; T154-A175 PolarHBondContact O-N 3.05Å; T154-A175 VanDerWaalsContact O-N 3.08Å; T154-F178 WeakPolarHBondContact O-CE2 3.49Å
155	F	96.9	Very high	92.9	Very high	0 Å²	0	51.6 Å²	51.6	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	113.3	162.1	173.8	-129.2	0	0	0	107.8	L121 T143 Y144 V157 Y171 E173 V174 F178 V183 I211	L121-F155 HydrophobicContact CB-CD1 4.04Å; L121-F155 HydrophobicContact CD2-CB 4.44Å; T143-F155 CarbonylContact C-O 3.53Å; T143-F155 WeakPolarHBondContact CA-O 3.49Å; Y144-F155 HydrophobicContact CD2-CB 4.3Å; Y144-F155 AromaticContact CD2-CD1 3.39Å; Y144-F155 HydrophobicContact CD2-CD1 3.39Å; Y144-F155 HydrophobicContact CD2-CE1 4.12Å; Y144-F155 HydrophobicContact CD2-CG 4.2Å; Y144-F155 WeakPolarHBondContact CD2-O 3.37Å; Y144-F155 AromaticContact CE2-CD1 3.75Å; Y144-F155 HydrophobicContact CE2-CD1 3.75Å; Y144-F155 HydrophobicContact CE2-CE1 4.02Å; Y144-F155 HydrophobicContact CG-CD1 4.2Å; Y144-F155 PolarHBondContact N-O 3.49Å; Y144-F155 PolarHBondContact O-N 3.4Å; F155-V157 HydrophobicContact CE1-CB 4.49Å; F155-V157 HydrophobicContact CE1-CG1 3.87Å; F155-V157 HydrophobicContact CE2-CB 4.13Å; F155-V157 HydrophobicContact CE2-CG1 4.38Å; F155-V157 HydrophobicContact CZ-CB 3.92Å; F155-V157 HydrophobicContact CZ-CG1 3.76Å; F155-Y171 AromaticContact CE2-CD1 3.88Å; F155-Y171 HydrophobicContact CE2-CD1 3.88Å; F155-Y171 HydrophobicContact CE2-CE1 4.24Å; F155-Y171 HydrophobicContact CZ-CD1 4.35Å; F155-Y171 HydrophobicContact CZ-CE1 4.31Å; F155-E173 CarbonylContact C-O 3.54Å; F155-E173 WeakPolarHBondContact CA-O 3.39Å; F155-V174 HydrophobicContact CD2-CG1 4.49Å; F155-V174 HydrophobicContact CD2-CG2 4.04Å; F155-V174 HydrophobicContact CE2-CG2 4.1Å; F155-F178 HydrophobicContact CB-CD2 4.41Å; F155-F178 HydrophobicContact CB-CE2 3.67Å; F155-F178 HydrophobicContact CB-CZ 4.2Å; F155-V183 HydrophobicContact CD1-CG1 4.15Å; F155-V183 HydrophobicContact CD2-CG1 3.96Å; F155-V183 HydrophobicContact CE1-CG1 4.33Å; F155-V183 HydrophobicContact CE2-CB 4.35Å; F155-V183 HydrophobicContact CE2-CG1 4.13Å; F155-V183 HydrophobicContact CG-CG1 3.97Å; F155-V183 HydrophobicContact CZ-CB 4.31Å; F155-V183 HydrophobicContact CZ-CG1 4.31Å; F155-I211 HydrophobicContact CE2-CG2 4.39Å
156	K	97.4	Very high	93.1	Very high	44 Å²	44	47.8 Å²	47.8	19%	0.191	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	119.9	-178.7	-170.6	-179.9	-178.6	173.4	0	109	E130 R141 L142 T143 T154 D172 E173	E130-K156 IonicContact OE2-NZ 2.69Å; R141-K156 HydrophobicContact CG-CG 4.42Å; L142-K156 WeakPolarHBondContact O-CA 3.33Å; T143-K156 HydrophobicContact CG2-CB 4.46Å; T154-K156 HydrophobicContact CG2-CB 4.15Å; K156-D172 HydrophobicContact CB-CB 3.98Å; K156-D172 HydrophobicContact CD-CB 3.78Å; K156-D172 HydrophobicContact CG-CB 3.73Å; K156-D172 PolarHBondContact O-N 2.73Å; K156-E173 HydrophobicContact CB-CB 3.96Å; K156-E173 PolarHBondContact N-O 3.39Å; K156-E173 PolarHBondContact O-N 3.04Å; K156-E173 VanDerWaalsContact O-N 3.07Å
157	V	98	Very high	93.5	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	133.4	-175.2	58.9	0	0	0	0	110.2	N119 R141 L142 F155 Y170 Y171	N119-V157 HydrophobicContact CB-CG1 3.76Å; R141-V157 WeakPolarHBondContact CA-O 3.49Å; L142-V157 HydrophobicContact CB-CG1 4.23Å; L142-V157 PolarHBondContact N-O 2.85Å; L142-V157 PolarHBondContact O-N 2.95Å; F155-V157 HydrophobicContact CE1-CB 4.49Å; F155-V157 HydrophobicContact CE1-CG1 3.87Å; F155-V157 HydrophobicContact CE2-CB 4.13Å; F155-V157 HydrophobicContact CE2-CG1 4.38Å; F155-V157 HydrophobicContact CZ-CB 3.92Å; F155-V157 HydrophobicContact CZ-CG1 3.76Å; V157-Y170 WeakPolarHBondContact CA-O 3.27Å; V157-Y171 HydrophobicContact CB-CD1 4.24Å; V157-Y171 HydrophobicContact CG2-CD1 3.82Å; V157-Y171 HydrophobicContact CG2-CE1 3.91Å
158	T	98.2	Very high	94	Very high	1 Å²	1	38.1 Å²	38.1	1%	0.006	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	116.5	177.1	-59.3	0	0	0	0	109.4	V68 F73 A139 I140 R141 L160 F169 Y170 D172	V68-T158 HydrophobicContact CG2-CG2 4.42Å; F73-T158 HydrophobicContact CZ-CG2 3.99Å; A139-T158 HydrophobicContact CB-CG2 4.39Å; I140-T158 CarbonylContact O-C 3.49Å; I140-T158 WeakPolarHBondContact O-CA 3.38Å; R141-T158 HydrophobicContact CB-CG2 4.38Å; R141-T158 PolarHBondContact NE-OG1 3.1Å; R141-T158 VanDerWaalsContact NE-OG1 3.14Å; T158-L160 HydrophobicContact CG2-CD2 4.26Å; T158-L160 HydrophobicContact CG2-CG 4.44Å; T158-F169 WeakPolarHBondContact O-CA 3.45Å; T158-Y170 PolarHBondContact N-O 3.11Å; T158-Y170 PolarHBondContact O-N 3.25Å; T158-D172 WeakPolarHBondContact CB-OD2 3.29Å; T158-D172 PolarHBondContact N-OD2 2.92Å; T158-D172 PolarHBondContact OG1-OD2 3.17Å
159	S	98.4	Very high	94.7	Very high	1 Å²	1	35 Å²	35	1%	0.007	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	128.8	167.6	-62.2	0	0	0	0	110.2	N119 A139 I140 A168 F169	N119-S159 PolarHBondContact ND2-OG 2.89Å; A139-S159 CarbonylContact C-O 3.58Å; A139-S159 WeakPolarHBondContact CA-O 3.45Å; I140-S159 PolarHBondContact N-O 2.73Å; I140-S159 PolarHBondContact O-N 3.01Å; S159-A168 CarbonylContact C-O 3.57Å; S159-A168 WeakPolarHBondContact CA-O 3.32Å; S159-F169 WeakPolarHBondContact OG-CD1 3.36Å
160	L	98.1	Very high	95.4	Very high	1 Å²	1	28.2 Å²	28.2	1%	0.005	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	130	175.6	-61.3	164.9	0	0	0	109	P67 V68 L137 L138 A139 T158 Y162 I167 A168	P67-L160 HydrophobicContact CB-CD1 3.78Å; P67-L160 HydrophobicContact CG-CD1 3.34Å; P67-L160 HydrophobicContact CG-CG 4.43Å; V68-L160 HydrophobicContact CG1-CD2 3.73Å; V68-L160 HydrophobicContact CG2-CD2 4.12Å; L137-L160 HydrophobicContact CD1-CD2 3.83Å; L137-L160 HydrophobicContact CD2-CD2 4.38Å; L138-L160 CarbonylContact O-C 3.56Å; L138-L160 WeakPolarHBondContact O-CA 3.34Å; A139-L160 HydrophobicContact CB-CD2 3.73Å; T158-L160 HydrophobicContact CG2-CD2 4.26Å; T158-L160 HydrophobicContact CG2-CG 4.44Å; L160-Y162 HydrophobicContact CB-CE2 3.83Å; L160-I167 CarbonylContact O-C 3.57Å; L160-I167 WeakPolarHBondContact O-CA 3.22Å; L160-A168 HydrophobicContact CB-CB 4.14Å; L160-A168 HydrophobicContact CD1-CB 4.05Å; L160-A168 PolarHBondContact N-O 2.97Å; L160-A168 PolarHBondContact O-N 3Å
161	I	98.1	Very high	96.1	Very high	0 Å²	0	25 Å²	25	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	126.6	179.7	-54.5	159.2	0	0	0	108.1	I88 L98 M108 I117 L137 L138 I140	I88-I161 HydrophobicContact CB-CG2 4.36Å; I88-I161 HydrophobicContact CD1-CG2 3.81Å; I88-I161 HydrophobicContact CG1-CG2 3.88Å; I88-I161 HydrophobicContact CG2-CG2 3.52Å; L98-I161 HydrophobicContact CD2-CD1 3.79Å; M108-I161 HydrophobicContact CE-CD1 3.62Å; M108-I161 HydrophobicContact CE-CG1 4.26Å; I117-I161 HydrophobicContact CD1-CD1 3.88Å; I117-I161 HydrophobicContact CD1-CG1 3.85Å; L137-I161 WeakPolarHBondContact CA-O 3.07Å; L138-I161 HydrophobicContact CB-CB 4.41Å; L138-I161 HydrophobicContact CD2-CD1 4.14Å; L138-I161 PolarHBondContact N-O 3.32Å; L138-I161 PolarHBondContact O-N 3.36Å; I140-I161 HydrophobicContact CD1-CD1 4.33Å
162	Y	97.1	Very high	96.6	Very high	51 Å²	51	20.8 Å²	20.8	20%	0.2	11%	0.113	C	C	.	.			trans	-108.6	154.9	-176.6	-64.3	-97.1	0	0	0	111.3	L137 L160 N164 G165 K166	L137-Y162 HydrophobicContact CB-CD1 3.89Å; L137-Y162 HydrophobicContact CB-CE1 3.89Å; L137-Y162 HydrophobicContact CB-CG 4.41Å; L137-Y162 HydrophobicContact CD2-CE1 3.77Å; L160-Y162 HydrophobicContact CB-CE2 3.83Å; Y162-N164 VanDerWaalsContact CB-OD1 3.3Å; Y162-N164 WeakPolarHBondContact CB-OD1 3.39Å; Y162-N164 PolarHBondContact O-N 2.82Å; Y162-G165 PolarHBondContact O-N 2.66Å; Y162-K166 HydrophobicContact CD2-CB 3.86Å; Y162-K166 HydrophobicContact CD2-CD 3.97Å; Y162-K166 HydrophobicContact CD2-CG 3.81Å; Y162-K166 WeakPolarHBondContact CD2-O 3.04Å; Y162-K166 HydrophobicContact CE2-CD 4.05Å; Y162-K166 HydrophobicContact CE2-CG 4.2Å; Y162-K166 HydrophobicContact CG-CB 4.15Å; Y162-K166 HydrophobicContact CG-CD 4.45Å; Y162-K166 HydrophobicContact CG-CG 4.47Å; Y162-K166 PolarHBondContact N-O 3.27Å
163	P	95.9	Very high	96.9	Very high	47 Å²	47	21 Å²	21	31%	0.305	11%	0.105	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.2	-33.9	-178.8	-22.1	27.4	0	0	0	114.2	F86 K89 E136 G165	F86-P163 HydrophobicContact CB-CG 4.4Å; F86-P163 HydrophobicContact CD1-CG 4.12Å; F86-P163 HydrophobicContact CD2-CB 3.66Å; F86-P163 HydrophobicContact CD2-CG 3.53Å; F86-P163 HydrophobicContact CE1-CG 4.27Å; F86-P163 HydrophobicContact CE2-CB 4.04Å; F86-P163 HydrophobicContact CE2-CG 3.67Å; F86-P163 HydrophobicContact CG-CB 4.18Å; F86-P163 HydrophobicContact CG-CG 3.76Å; F86-P163 HydrophobicContact CZ-CG 4.07Å; K89-P163 WeakPolarHBondContact CG-O 3.33Å; K89-P163 PolarHBondContact N-O 3.4Å; E136-P163 WeakPolarHBondContact O-CD 3.42Å; P163-G165 PolarHBondContact O-N 3.41Å
164	N	93.3	Very high	97.1	Very high	110 Å²	110	21 Å²	21	59%	0.588	11%	0.107	S	C	*	.	T	Hydrogen-bonded Turn	trans	-79	1.6	-179.5	68.2	-11.5	0	0	0	113.9	Y162 K166	Y162-N164 VanDerWaalsContact CB-OD1 3.3Å; Y162-N164 WeakPolarHBondContact CB-OD1 3.39Å; Y162-N164 PolarHBondContact O-N 2.82Å; N164-K166 WeakPolarHBondContact OD1-CB 3.35Å; N164-K166 PolarHBondContact OD1-N 2.69Å
165	G	94.5	Very high	97.1	Very high	1 Å²	1	20.8 Å²	20.8	1%	0.01	11%	0.106	C	C	.	.	S	Bend	trans	86.1	5.2	-179	0	0	0	0	0	115.6	Y56 K89 Y162 P163 I167	Y56-G165 VanDerWaalsContact CE1-O 3.32Å; Y56-G165 WeakPolarHBondContact CE1-O 3.12Å; Y56-G165 PolarHBondContact OH-O 2.82Å; K89-G165 WeakPolarHBondContact O-CA 2.99Å; Y162-G165 PolarHBondContact O-N 2.66Å; P163-G165 PolarHBondContact O-N 3.41Å; G165-I167 PolarHBondContact O-N 3.28Å
166	K	95.9	Very high	96.8	Very high	17 Å²	17	30.2 Å²	30.2	7%	0.074	15%	0.147	C	C	.	.			trans	-60.5	135.3	164.7	179.2	-177.8	179.9	177.8	0	108.8	Y162 N164 E218 H219 E220 D258	Y162-K166 HydrophobicContact CD2-CB 3.86Å; Y162-K166 HydrophobicContact CD2-CD 3.97Å; Y162-K166 HydrophobicContact CD2-CG 3.81Å; Y162-K166 WeakPolarHBondContact CD2-O 3.04Å; Y162-K166 HydrophobicContact CE2-CD 4.05Å; Y162-K166 HydrophobicContact CE2-CG 4.2Å; Y162-K166 HydrophobicContact CG-CB 4.15Å; Y162-K166 HydrophobicContact CG-CD 4.45Å; Y162-K166 HydrophobicContact CG-CG 4.47Å; Y162-K166 PolarHBondContact N-O 3.27Å; N164-K166 WeakPolarHBondContact OD1-CB 3.35Å; N164-K166 PolarHBondContact OD1-N 2.69Å; K166-E218 WeakPolarHBondContact CE-OE1 3.48Å; K166-E218 IonicContact NZ-OE1 2.68Å; K166-E218 PolarHBondContact NZ-OE1 2.99Å; K166-H219 VanDerWaalsContact CA-O 3.26Å; K166-H219 WeakPolarHBondContact CA-O 3.15Å; K166-H219 WeakPolarHBondContact CG-O 3.45Å; K166-E220 HydrophobicContact CD-CG 4.48Å; K166-E220 HydrophobicContact CG-CG 4.38Å; K166-D258 IonicContact NZ-OD2 3.35Å; K166-D258 PolarHBondContact NZ-OD2 3.16Å
167	I	97.7	Very high	96.4	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	133.5	174.6	-60.8	172.4	0	0	0	107.4	F90 I117 L160 G165 F169 F187 H219	F90-I167 HydrophobicContact CD2-CD1 3.72Å; F90-I167 HydrophobicContact CE2-CD1 3.46Å; F90-I167 VanDerWaalsContact CE2-CD1 3.46Å; I117-I167 HydrophobicContact CD1-CG2 3.85Å; I117-I167 HydrophobicContact CG1-CG2 4.43Å; L160-I167 CarbonylContact O-C 3.57Å; L160-I167 WeakPolarHBondContact O-CA 3.22Å; G165-I167 PolarHBondContact O-N 3.28Å; I167-F169 HydrophobicContact CG2-CE1 4.05Å; I167-F169 HydrophobicContact CG2-CZ 4.1Å; I167-F187 HydrophobicContact CD1-CD2 4Å; I167-F187 HydrophobicContact CD1-CE2 4.19Å; I167-F187 HydrophobicContact CD1-CG 4.25Å; I167-H219 HydrophobicContact CB-CB 4.38Å; I167-H219 PolarHBondContact N-O 3.19Å; I167-H219 WeakPolarHBondContact O-CA 3.48Å; I167-H219 WeakPolarHBondContact O-CB 3.3Å; I167-H219 PolarHBondContact O-N 2.81Å; I167-H219 PolarHBondContact O-ND1 3.23Å
168	A	98.2	Very high	95.9	Very high	1 Å²	1	33.5 Å²	33.5	1%	0.008	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	146.9	172.8	0	0	0	0	0	112.4	S159 L160 L216 V217 E218	S159-A168 CarbonylContact C-O 3.57Å; S159-A168 WeakPolarHBondContact CA-O 3.32Å; L160-A168 HydrophobicContact CB-CB 4.14Å; L160-A168 HydrophobicContact CD1-CB 4.05Å; L160-A168 PolarHBondContact N-O 2.97Å; L160-A168 PolarHBondContact O-N 3Å; A168-L216 HydrophobicContact CB-CD1 4.27Å; A168-V217 CarbonylContact C-O 3.58Å; A168-V217 WeakPolarHBondContact CA-O 3.43Å; A168-V217 WeakPolarHBondContact CB-O 3.34Å; A168-E218 HydrophobicContact CB-CG 3.89Å
169	F	98.5	Very high	95.3	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	127.2	168.8	-54.3	-51.4	0	0	0	108.6	I117 T158 S159 I167 Y171 F187 V206 L216 V217 H219	I117-F169 HydrophobicContact CD1-CE1 4.35Å; I117-F169 HydrophobicContact CG1-CE1 4.37Å; I117-F169 HydrophobicContact CG1-CZ 4.42Å; I117-F169 HydrophobicContact CG2-CE1 3.49Å; I117-F169 VanDerWaalsContact CG2-CE1 3.49Å; I117-F169 HydrophobicContact CG2-CZ 3.85Å; T158-F169 WeakPolarHBondContact O-CA 3.45Å; S159-F169 WeakPolarHBondContact OG-CD1 3.36Å; I167-F169 HydrophobicContact CG2-CE1 4.05Å; I167-F169 HydrophobicContact CG2-CZ 4.1Å; F169-Y171 HydrophobicContact CB-CE2 4.43Å; F169-F187 HydrophobicContact CE2-CD1 4.11Å; F169-F187 HydrophobicContact CZ-CD1 4.05Å; F169-V206 HydrophobicContact CD2-CG2 3.67Å; F169-V206 HydrophobicContact CE2-CG2 4.01Å; F169-L216 WeakPolarHBondContact O-CA 3.42Å; F169-V217 HydrophobicContact CB-CB 4.39Å; F169-V217 PolarHBondContact N-O 3.48Å; F169-V217 PolarHBondContact O-N 2.88Å; F169-H219 AromaticContact CD2-CE1 3.81Å; F169-H219 AromaticContact CE2-CE1 3.68Å
170	Y	98.5	Very high	94.5	Very high	15 Å²	15	46.3 Å²	46.3	6%	0.059	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	123.3	169.5	179.7	-104	0	0	0	108.8	Q64 P66 P67 V157 T158 D172 T215 L216	Q64-Y170 PolarHBondContact O-OH 2.63Å; P66-Y170 HydrophobicContact CB-CD1 4.42Å; P66-Y170 HydrophobicContact CB-CE1 3.79Å; P66-Y170 WeakPolarHBondContact CD-OH 3.49Å; P66-Y170 HydrophobicContact CG-CE1 3.81Å; P66-Y170 WeakPolarHBondContact CG-OH 3.45Å; P67-Y170 VanDerWaalsContact CD-CG 3.48Å; P67-Y170 HydrophobicContact CG-CG 4.21Å; V157-Y170 WeakPolarHBondContact CA-O 3.27Å; T158-Y170 PolarHBondContact N-O 3.11Å; T158-Y170 PolarHBondContact O-N 3.25Å; Y170-D172 HydrophobicContact CD1-CB 4.36Å; Y170-D172 HydrophobicContact CE1-CB 4.15Å; Y170-D172 PolarHBondContact O-N 3.19Å; Y170-T215 WeakPolarHBondContact CA-O 3.32Å; Y170-L216 HydrophobicContact CD2-CB 4.33Å; Y170-L216 HydrophobicContact CD2-CD1 4.34Å
171	Y	98.3	Very high	94.1	Very high	0 Å²	0	50.6 Å²	50.6	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	91	178.7	-60.1	-77.1	0	0	0	109	F155 V157 F169 E173 V174 S185 V206 I211 Q212 S213 G214 T215 V217	F155-Y171 AromaticContact CE2-CD1 3.88Å; F155-Y171 HydrophobicContact CE2-CD1 3.88Å; F155-Y171 HydrophobicContact CE2-CE1 4.24Å; F155-Y171 HydrophobicContact CZ-CD1 4.35Å; F155-Y171 HydrophobicContact CZ-CE1 4.31Å; V157-Y171 HydrophobicContact CB-CD1 4.24Å; V157-Y171 HydrophobicContact CG2-CD1 3.82Å; V157-Y171 HydrophobicContact CG2-CE1 3.91Å; F169-Y171 HydrophobicContact CB-CE2 4.43Å; Y171-E173 VanDerWaalsContact C-N 3.33Å; Y171-E173 PolarHBondContact O-N 2.71Å; Y171-V174 HydrophobicContact CD1-CG2 4.31Å; Y171-V174 HydrophobicContact CG-CG2 4.39Å; Y171-S185 WeakPolarHBondContact CE1-OG 3.4Å; Y171-S185 WeakPolarHBondContact OH-CB 3.14Å; Y171-S185 PolarHBondContact OH-OG 2.91Å; Y171-V206 WeakPolarHBondContact OH-CG1 3.3Å; Y171-I211 HydrophobicContact CD1-CG2 3.82Å; Y171-I211 HydrophobicContact CE1-CB 4.37Å; Y171-I211 HydrophobicContact CE1-CG1 4.27Å; Y171-I211 HydrophobicContact CE1-CG2 3.55Å; Y171-I211 HydrophobicContact CE2-CG1 4.39Å; Y171-I211 HydrophobicContact CG-CG2 4.44Å; Y171-Q212 WeakPolarHBondContact CB-O 3.28Å; Y171-S213 CarbonylContact O-C 3.45Å; Y171-S213 WeakPolarHBondContact O-CA 3.47Å; Y171-G214 PolarHBondContact O-N 2.84Å; Y171-T215 HydrophobicContact CD2-CG2 4.22Å; Y171-T215 WeakPolarHBondContact CD2-O 3.39Å; Y171-T215 HydrophobicContact CE2-CG2 4.47Å; Y171-T215 PolarHBondContact N-O 3.41Å; Y171-V217 HydrophobicContact CE2-CG2 3.84Å
172	D	97.5	Very high	93.7	Very high	32 Å²	32	52 Å²	52	17%	0.171	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.4	-45	179.9	-59.3	-103.8	0	0	0	111.5	R141 K156 T158 Y170	R141-D172 IonicContact CZ-OD1 2.71Å; R141-D172 IonicContact NE-OD1 2.67Å; R141-D172 IonicContact NH2-OD1 3.73Å; R141-D172 PolarHBondContact NH2-OD1 3.23Å; K156-D172 HydrophobicContact CB-CB 3.98Å; K156-D172 HydrophobicContact CD-CB 3.78Å; K156-D172 HydrophobicContact CG-CB 3.73Å; K156-D172 PolarHBondContact O-N 2.73Å; T158-D172 WeakPolarHBondContact CB-OD2 3.29Å; T158-D172 PolarHBondContact N-OD2 2.92Å; T158-D172 PolarHBondContact OG1-OD2 3.17Å; Y170-D172 HydrophobicContact CD1-CB 4.36Å; Y170-D172 HydrophobicContact CE1-CB 4.15Å; Y170-D172 PolarHBondContact O-N 3.19Å
173	E	96.6	Very high	93.6	Very high	87 Å²	87	49.9 Å²	49.9	41%	0.407	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-151	127.5	179.6	-169.2	176.7	159.8	0	0	110.6	T154 F155 K156 Y171	T154-E173 WeakPolarHBondContact CB-OE1 3.44Å; F155-E173 CarbonylContact C-O 3.54Å; F155-E173 WeakPolarHBondContact CA-O 3.39Å; K156-E173 HydrophobicContact CB-CB 3.96Å; K156-E173 PolarHBondContact N-O 3.39Å; K156-E173 PolarHBondContact O-N 3.04Å; K156-E173 VanDerWaalsContact O-N 3.07Å; Y171-E173 VanDerWaalsContact C-N 3.33Å; Y171-E173 PolarHBondContact O-N 2.71Å
174	V	96.3	Very high	93.5	Very high	16 Å²	16	50.4 Å²	50.4	10%	0.097	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	106.1	170.1	-171.7	0	0	0	0	106.7	F155 Y171 F178 I211 S213	F155-V174 HydrophobicContact CD2-CG1 4.49Å; F155-V174 HydrophobicContact CD2-CG2 4.04Å; F155-V174 HydrophobicContact CE2-CG2 4.1Å; Y171-V174 HydrophobicContact CD1-CG2 4.31Å; Y171-V174 HydrophobicContact CG-CG2 4.39Å; V174-F178 HydrophobicContact CG1-CD2 4.32Å; V174-I211 HydrophobicContact CG2-CG2 4.31Å; V174-S213 PolarHBondContact N-OG 2.9Å; V174-S213 PolarHBondContact O-OG 3.34Å
175	A	95.1	Very high	93.7	Very high	12 Å²	12	45.1 Å²	45.1	10%	0.099	21%	0.211	C	C	.	.			trans	-57.3	140.1	176.6	0	0	0	0	0	110.8	F153 T154 E177 F178	F153-A175 HydrophobicContact CB-CB 3.74Å; F153-A175 HydrophobicContact CD1-CB 4.3Å; F153-A175 HydrophobicContact CG-CB 4.39Å; T154-A175 PolarHBondContact O-N 3.05Å; T154-A175 VanDerWaalsContact O-N 3.08Å; A175-E177 WeakPolarHBondContact CB-OE2 3.4Å; A175-E177 PolarHBondContact O-N 3.48Å; A175-F178 HydrophobicContact CB-CD2 3.77Å; A175-F178 HydrophobicContact CB-CE2 3.58Å; A175-F178 HydrophobicContact CB-CZ 4.27Å; A175-F178 WeakPolarHBondContact O-CD2 3.08Å; A175-F178 PolarHBondContact O-N 3.3Å
176	K	91.6	Very high	93.9	Very high	199 Å²	199	46.3 Å²	46.3	87%	0.865	22%	0.217	S	C	*	.	T	Hydrogen-bonded Turn	trans	-71.3	-16.3	-172.8	-68.8	-177.1	179.2	179.2	0	113.1	F178	K176-F178 VanDerWaalsContact C-N 3.33Å
177	E	89.2	Confident	94	Very high	95 Å²	95	45.5 Å²	45.5	44%	0.444	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79	-20.7	-177.7	-61.2	82.1	-173.6	0	0	112	F153 A175 Q179	F153-E177 HydrophobicContact CD1-CB 3.87Å; F153-E177 VanDerWaalsContact CD1-CD 3.5Å; F153-E177 HydrophobicContact CD1-CG 3.78Å; F153-E177 WeakPolarHBondContact CD1-OE2 3.38Å; F153-E177 HydrophobicContact CD2-CB 4.24Å; F153-E177 HydrophobicContact CE1-CB 3.71Å; F153-E177 HydrophobicContact CE1-CG 3.26Å; F153-E177 HydrophobicContact CE2-CB 4Å; F153-E177 HydrophobicContact CE2-CG 4.32Å; F153-E177 HydrophobicContact CG-CB 4.17Å; F153-E177 HydrophobicContact CZ-CB 3.77Å; F153-E177 HydrophobicContact CZ-CG 3.57Å; A175-E177 WeakPolarHBondContact CB-OE2 3.4Å; A175-E177 PolarHBondContact O-N 3.48Å; E177-Q179 PolarHBondContact O-N 3.43Å
178	F	87.9	Confident	93.9	Very high	17 Å²	17	45.7 Å²	45.7	8%	0.075	22%	0.215	C	C	.	.	S	Bend	trans	-64.7	130	171	-62.7	-46.9	0	0	0	110.4	L121 K146 F153 T154 F155 V174 A175 K176 D182 V183	L121-F178 HydrophobicContact CD1-CD1 3.72Å; L121-F178 HydrophobicContact CD1-CD2 4.48Å; L121-F178 HydrophobicContact CD1-CE1 3.58Å; L121-F178 HydrophobicContact CD1-CE2 4.36Å; L121-F178 HydrophobicContact CD1-CG 4.19Å; L121-F178 HydrophobicContact CD1-CZ 3.93Å; L121-F178 HydrophobicContact CD2-CE1 3.78Å; L121-F178 HydrophobicContact CD2-CZ 3.74Å; L121-F178 HydrophobicContact CG-CE1 4.33Å; K146-F178 HydrophobicContact CB-CE1 4.12Å; K146-F178 HydrophobicContact CB-CZ 4.41Å; K146-F178 HydrophobicContact CD-CE1 3.83Å; F153-F178 HydrophobicContact CB-CE1 3.98Å; F153-F178 HydrophobicContact CB-CE2 4.32Å; F153-F178 HydrophobicContact CB-CZ 3.69Å; T154-F178 WeakPolarHBondContact O-CE2 3.49Å; F155-F178 HydrophobicContact CB-CD2 4.41Å; F155-F178 HydrophobicContact CB-CE2 3.67Å; F155-F178 HydrophobicContact CB-CZ 4.2Å; V174-F178 HydrophobicContact CG1-CD2 4.32Å; A175-F178 HydrophobicContact CB-CD2 3.77Å; A175-F178 HydrophobicContact CB-CE2 3.58Å; A175-F178 HydrophobicContact CB-CZ 4.27Å; A175-F178 WeakPolarHBondContact O-CD2 3.08Å; A175-F178 PolarHBondContact O-N 3.3Å; K176-F178 VanDerWaalsContact C-N 3.33Å; F178-D182 WeakPolarHBondContact CA-OD2 3.34Å; F178-D182 HydrophobicContact CB-CB 4.16Å; F178-D182 HydrophobicContact CD1-CB 4.43Å; F178-V183 HydrophobicContact CB-CG1 4.43Å; F178-V183 HydrophobicContact CD2-CG1 4.28Å; F178-V183 HydrophobicContact CG-CG1 4.4Å
179	Q	85.6	Confident	93.8	Very high	130 Å²	130	45.6 Å²	45.6	61%	0.607	21%	0.214	S	C	*	.			trans	-70.6	156.8	169	-59.9	-57.6	-50.5	0	0	109.4	E177 D181 D182	E177-Q179 PolarHBondContact O-N 3.43Å; Q179-D181 PolarHBondContact O-N 2.96Å; Q179-D182 PolarHBondContact N-OD2 2.83Å; Q179-D182 WeakPolarHBondContact O-CB 3.3Å; Q179-D182 PolarHBondContact O-N 3.02Å
180	K	81.5	Confident	93.5	Very high	141 Å²	141	47.5 Å²	47.5	61%	0.613	23%	0.226	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.7	-27.2	177	-70.4	-175.4	178.8	-178.7	0	113.1	K208	K180-K208 HydrophobicContact CB-CB 4.3Å; K180-K208 WeakPolarHBondContact O-CD 3.4Å; K180-K208 WeakPolarHBondContact O-CG 3.45Å
181	D	88	Confident	93.1	Very high	91 Å²	91	47.1 Å²	47.1	49%	0.487	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.5	6.3	-179.8	-61.8	-37.7	0	0	0	113.7	Q179 Y184 K208	Q179-D181 PolarHBondContact O-N 2.96Å; D181-Y184 WeakPolarHBondContact CA-OH 3.35Å; D181-Y184 WeakPolarHBondContact O-CE2 3.37Å; D181-Y184 VanDerWaalsContact O-CZ 3.26Å; D181-Y184 PolarHBondContact O-OH 2.86Å; D181-K208 WeakPolarHBondContact OD1-CD 3.34Å; D181-K208 IonicContact OD1-NZ 2.63Å; D181-K208 PolarHBondContact OD1-NZ 3.06Å
182	D	91.7	Very high	92.5	Very high	31 Å²	31	51 Å²	51	17%	0.166	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.8	-30.3	176.6	-67.1	-17.6	0	0	0	111.7	L121 K122 F178 Q179	L121-D182 CarbonylContact C-O 3.58Å; L121-D182 WeakPolarHBondContact CA-O 3.14Å; L121-D182 HydrophobicContact CD1-CB 4.17Å; K122-D182 WeakPolarHBondContact CB-O 3.48Å; K122-D182 PolarHBondContact N-O 3.18Å; F178-D182 WeakPolarHBondContact CA-OD2 3.34Å; F178-D182 HydrophobicContact CB-CB 4.16Å; F178-D182 HydrophobicContact CD1-CB 4.43Å; Q179-D182 PolarHBondContact N-OD2 2.83Å; Q179-D182 WeakPolarHBondContact O-CB 3.3Å; Q179-D182 PolarHBondContact O-N 3.02Å
183	V	93.8	Very high	92	Very high	5 Å²	5	50 Å²	50	3%	0.03	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	135.4	-175.3	-68.2	0	0	0	0	111.2	L121 F155 F178 I211	L121-V183 HydrophobicContact CD1-CG1 3.75Å; F155-V183 HydrophobicContact CD1-CG1 4.15Å; F155-V183 HydrophobicContact CD2-CG1 3.96Å; F155-V183 HydrophobicContact CE1-CG1 4.33Å; F155-V183 HydrophobicContact CE2-CB 4.35Å; F155-V183 HydrophobicContact CE2-CG1 4.13Å; F155-V183 HydrophobicContact CG-CG1 3.97Å; F155-V183 HydrophobicContact CZ-CB 4.31Å; F155-V183 HydrophobicContact CZ-CG1 4.31Å; F178-V183 HydrophobicContact CB-CG1 4.43Å; F178-V183 HydrophobicContact CD2-CG1 4.28Å; F178-V183 HydrophobicContact CG-CG1 4.4Å; V183-I211 HydrophobicContact CB-CG2 4.15Å; V183-I211 HydrophobicContact CG2-CB 4.18Å; V183-I211 HydrophobicContact CG2-CG2 3.56Å
184	Y	94.6	Very high	91.1	Very high	58 Å²	58	49.2 Å²	49.2	23%	0.227	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	140	179.6	-61.8	-96.7	0	0	0	110.5	N119 F120 D181 K208	N119-Y184 CarbonylContact C-O 3.57Å; N119-Y184 WeakPolarHBondContact CA-O 3.31Å; F120-Y184 HydrophobicContact CD1-CD2 4.26Å; F120-Y184 PolarHBondContact N-O 3.15Å; F120-Y184 PolarHBondContact O-N 3.07Å; D181-Y184 WeakPolarHBondContact CA-OH 3.35Å; D181-Y184 WeakPolarHBondContact O-CE2 3.37Å; D181-Y184 VanDerWaalsContact O-CZ 3.26Å; D181-Y184 PolarHBondContact O-OH 2.86Å; Y184-K208 VanDerWaalsContact CE1-NZ 3.28Å; Y184-K208 PolarHBondContact OH-NZ 3.15Å; Y184-K208 VanDerWaalsContact OH-NZ 3.16Å
185	S	97.7	Very high	90	Very high	0 Å²	0	57.3 Å²	57.3	0%	0	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	122	169.6	-69	0	0	0	0	108.7	V118 N119 Y171 V206	V118-S185 VanDerWaalsContact O-CA 3.31Å; V118-S185 WeakPolarHBondContact O-CA 3.5Å; N119-S185 WeakPolarHBondContact OD1-CB 3.47Å; N119-S185 PolarHBondContact OD1-OG 3.17Å; Y171-S185 WeakPolarHBondContact CE1-OG 3.4Å; Y171-S185 WeakPolarHBondContact OH-CB 3.14Å; Y171-S185 PolarHBondContact OH-OG 2.91Å; S185-V206 PolarHBondContact O-N 2.85Å
186	L	97.2	Very high	89	Confident	26 Å²	26	63.1 Å²	63.1	14%	0.136	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.4	166.5	176.5	63.9	80.9	0	0	0	110.4	V118 E203 V204 E205	V118-L186 HydrophobicContact CB-CD1 3.81Å; V118-L186 HydrophobicContact CB-CG 4.04Å; V118-L186 HydrophobicContact CG2-CD1 3.85Å; V118-L186 PolarHBondContact N-O 2.87Å; V118-L186 PolarHBondContact O-N 2.83Å; L186-E203 HydrophobicContact CD1-CG 4.35Å; L186-E203 HydrophobicContact CD2-CG 4.44Å; L186-V204 CarbonylContact C-O 3.58Å; L186-V204 WeakPolarHBondContact CA-O 3.19Å; L186-V204 WeakPolarHBondContact CB-O 3.44Å; L186-E205 HydrophobicContact CB-CB 4.26Å; L186-E205 HydrophobicContact CB-CG 4.41Å
187	F	97.8	Very high	88.4	Confident	0 Å²	0	61.7 Å²	61.7	0%	0	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	155.5	162.6	68.9	-84	0	0	0	109.9	Y56 F90 Y91 G116 I117 I167 F169 V204 H219	Y56-F187 HydrophobicContact CD1-CE2 4.45Å; Y56-F187 HydrophobicContact CD1-CZ 4.14Å; Y56-F187 AromaticContact CD2-CE2 3.58Å; Y56-F187 HydrophobicContact CD2-CE2 3.58Å; Y56-F187 AromaticContact CD2-CZ 3.81Å; Y56-F187 HydrophobicContact CD2-CZ 3.81Å; Y56-F187 HydrophobicContact CE1-CE2 4.44Å; Y56-F187 HydrophobicContact CE1-CZ 4.48Å; Y56-F187 AromaticContact CE2-CE2 3.6Å; Y56-F187 HydrophobicContact CE2-CE2 3.6Å; Y56-F187 HydrophobicContact CE2-CZ 4.21Å; Y56-F187 HydrophobicContact CG-CE2 4.03Å; Y56-F187 AromaticContact CG-CZ 3.78Å; Y56-F187 HydrophobicContact CG-CZ 3.78Å; F90-F187 AromaticContact CE2-CD2 3.75Å; F90-F187 HydrophobicContact CE2-CD2 3.75Å; F90-F187 HydrophobicContact CE2-CE2 4.33Å; F90-F187 HydrophobicContact CZ-CD2 4.05Å; Y91-F187 AromaticContact CE2-CD2 3.83Å; Y91-F187 HydrophobicContact CE2-CD2 3.83Å; Y91-F187 AromaticContact CE2-CE2 3.82Å; Y91-F187 HydrophobicContact CE2-CE2 3.82Å; Y91-F187 AromaticContact CZ-CE2 3.89Å; Y91-F187 WeakPolarHBondContact OH-CE2 3.25Å; G116-F187 CarbonylContact O-C 3.6Å; G116-F187 WeakPolarHBondContact O-CA 3.45Å; G116-F187 VanDerWaalsContact O-CB 3.26Å; G116-F187 WeakPolarHBondContact O-CB 3.21Å; I117-F187 HydrophobicContact CB-CB 4.4Å; I117-F187 HydrophobicContact CG1-CB 3.8Å; I167-F187 HydrophobicContact CD1-CD2 4Å; I167-F187 HydrophobicContact CD1-CE2 4.19Å; I167-F187 HydrophobicContact CD1-CG 4.25Å; F169-F187 HydrophobicContact CE2-CD1 4.11Å; F169-F187 HydrophobicContact CZ-CD1 4.05Å; F187-V204 HydrophobicContact CD1-CB 4.02Å; F187-V204 HydrophobicContact CD1-CG1 4.38Å; F187-V204 HydrophobicContact CE1-CB 3.47Å; F187-V204 VanDerWaalsContact CE1-CB 3.47Å; F187-V204 HydrophobicContact CE1-CG1 3.56Å; F187-V204 HydrophobicContact CE1-CG2 4.1Å; F187-V204 HydrophobicContact CE2-CB 4.13Å; F187-V204 HydrophobicContact CE2-CG2 3.99Å; F187-V204 HydrophobicContact CZ-CB 3.54Å; F187-V204 HydrophobicContact CZ-CG1 3.86Å; F187-V204 HydrophobicContact CZ-CG2 3.62Å; F187-V204 PolarHBondContact N-O 3.38Å; F187-V204 PolarHBondContact O-N 3.46Å; F187-H219 HydrophobicContact CE1-CB 4.04Å; F187-H219 AromaticContact CE1-CD2 3.51Å; F187-H219 AromaticContact CE1-CE1 3.68Å; F187-H219 AromaticContact CE1-CG 3.44Å; F187-H219 VanDerWaalsContact CE1-CG 3.44Å; F187-H219 AromaticContact CE1-ND1 3.58Å; F187-H219 AromaticContact CE1-NE2 3.66Å; F187-H219 HydrophobicContact CZ-CB 4.01Å; F187-H219 AromaticContact CZ-CD2 3.96Å; F187-H219 AromaticContact CZ-CG 3.87Å
188	S	97.1	Very high	88.2	Confident	3 Å²	3	61.7 Å²	61.7	2%	0.021	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.3	152.3	-172.2	40.8	0	0	0	0	111.2	F90 E115 G116 A202	F90-S188 WeakPolarHBondContact CE1-O 3.18Å; F90-S188 WeakPolarHBondContact CZ-O 3.34Å; E115-S188 CarbonylContact C-O 3.56Å; E115-S188 VanDerWaalsContact C-O 3.24Å; E115-S188 WeakPolarHBondContact CB-O 3.43Å; E115-S188 WeakPolarHBondContact CG-O 3.32Å; E115-S188 WeakPolarHBondContact CG-OG 3.26Å; E115-S188 VanDerWaalsContact OE1-CB 3.23Å; E115-S188 WeakPolarHBondContact OE1-CB 3.46Å; E115-S188 PolarHBondContact OE1-OG 3Å; E115-S188 VanDerWaalsContact OE2-CB 3.24Å; E115-S188 WeakPolarHBondContact OE2-CB 3.48Å; E115-S188 PolarHBondContact OE2-OG 2.93Å; G116-S188 PolarHBondContact N-O 2.69Å; G116-S188 VanDerWaalsContact N-O 3.12Å; G116-S188 PolarHBondContact O-N 3.05Å; S188-A202 CarbonylContact C-O 3.58Å; S188-A202 WeakPolarHBondContact CA-O 3.45Å; S188-A202 WeakPolarHBondContact CB-O 3.43Å
189	G	95.4	Very high	88.1	Confident	0 Å²	0	65.2 Å²	65.2	0%	0	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	140.3	-176.5	0	0	0	0	0	111.1	Y91 V114 E115 W201 A202	Y91-G189 VanDerWaalsContact CE2-CA 3.48Å; Y91-G189 VanDerWaalsContact CE2-N 3.31Å; V114-G189 WeakPolarHBondContact O-CA 3.39Å; E115-G189 PolarHBondContact OE2-N 3.06Å; G189-W201 CarbonylContact O-C 3.56Å; G189-W201 WeakPolarHBondContact O-CA 3.37Å; G189-W201 WeakPolarHBondContact O-CB 3.3Å; G189-A202 PolarHBondContact N-O 3.27Å; G189-A202 PolarHBondContact O-N 3.22Å
190	V	92.1	Very high	88.4	Confident	40 Å²	40	61.6 Å²	61.6	24%	0.242	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	139.4	179	170.8	0	0	0	0	111.4	V114 E115 D199 E200 W201	V114-V190 PolarHBondContact O-N 2.79Å; E115-V190 HydrophobicContact CB-CG2 3.81Å; E115-V190 WeakPolarHBondContact OE2-CG2 3.36Å; V190-D199 HydrophobicContact CG1-CB 3.94Å; V190-E200 CarbonylContact C-O 3.53Å; V190-E200 WeakPolarHBondContact CA-O 3.47Å; V190-W201 HydrophobicContact CG2-CB 4.3Å
191	F	89.2	Confident	88.8	Confident	6 Å²	6	59.4 Å²	59.4	3%	0.026	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	120.5	177.4	-54.3	-88.6	0	0	0	109.9	N27 I29 Y54 Y55 Y91 E200 A202	N27-F191 HydrophobicContact CB-CD1 4.08Å; N27-F191 HydrophobicContact CB-CG 4.47Å; N27-F191 WeakPolarHBondContact ND2-CD1 3.38Å; I29-F191 HydrophobicContact CD1-CD2 4.43Å; I29-F191 HydrophobicContact CD1-CE2 4.47Å; I29-F191 HydrophobicContact CG2-CB 4.07Å; I29-F191 HydrophobicContact CG2-CD2 3.79Å; I29-F191 HydrophobicContact CG2-CE2 4.33Å; I29-F191 HydrophobicContact CG2-CG 3.9Å; Y54-F191 HydrophobicContact CD1-CE2 4.38Å; Y54-F191 HydrophobicContact CD1-CZ 4.35Å; Y54-F191 HydrophobicContact CE1-CE1 4.42Å; Y54-F191 AromaticContact CE1-CE2 3.87Å; Y54-F191 HydrophobicContact CE1-CE2 3.87Å; Y54-F191 AromaticContact CE1-CZ 3.68Å; Y54-F191 HydrophobicContact CE1-CZ 3.68Å; Y55-F191 HydrophobicContact CD2-CZ 4.47Å; Y91-F191 HydrophobicContact CD1-CE1 4.28Å; Y91-F191 HydrophobicContact CD1-CE2 4.15Å; Y91-F191 AromaticContact CD1-CZ 3.42Å; Y91-F191 HydrophobicContact CD1-CZ 3.42Å; Y91-F191 VanDerWaalsContact CD1-CZ 3.42Å; Y91-F191 HydrophobicContact CE1-CE2 4.45Å; Y91-F191 HydrophobicContact CE1-CZ 4.06Å; Y91-F191 AromaticContact CG-CZ 3.98Å; Y91-F191 HydrophobicContact CG-CZ 3.98Å; F191-E200 PolarHBondContact N-O 3.25Å; F191-E200 PolarHBondContact O-N 3.3Å; F191-A202 HydrophobicContact CE2-CB 3.8Å
192	T	87.4	Confident	89.2	Confident	82 Å²	82	55.1 Å²	55.1	50%	0.503	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	125.1	174.2	-55.9	0	0	0	0	110.7	R197 D199	T192-R197 HydrophobicContact CG2-CB 3.58Å; T192-R197 HydrophobicContact CG2-CG 4.05Å; T192-D199 PolarHBondContact OG1-OD1 2.64Å
193	C	85.8	Confident	89.4	Confident	11 Å²	11	55.7 Å²	55.7	7%	0.074	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	139.5	-174.2	-61.6	0	0	0	0	112.4	C30 R197 D198	C30-C193 WeakPolarHBondContact CA-SG 3.39Å; C30-C193 HydrophobicContact CB-CB 3.58Å; C30-C193 WeakPolarHBondContact CB-SG 2.85Å; C30-C193 VanDerWaalsContact SG-CA 3.55Å; C30-C193 WeakPolarHBondContact SG-CB 3.23Å; C30-C193 CovalentContact SG-SG 2.03Å; C30-C193 PolarHBondContact SG-SG 2.95Å; C193-R197 PolarHBondContact O-N 3.46Å; C193-D198 WeakPolarHBondContact CA-O 3.32Å; C193-D198 VanDerWaalsContact CB-O 3.29Å; C193-D198 WeakPolarHBondContact CB-O 3.49Å; C193-D198 PolarHBondContact N-O 3.4Å; C193-D198 PolarHBondContact O-N 2.99Å
194	G	77.5	Confident	89.5	Confident	70 Å²	70	55.5 Å²	55.5	72%	0.722	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	67.6	-177.8	172.7	0	0	0	0	0	115.6	N196 R197	G194-N196 VanDerWaalsContact C-N 3.34Å; G194-R197 PolarHBondContact O-N 3.21Å
195	E	73.6	Confident	89.6	Confident	187 Å²	187	56.5 Å²	56.5	87%	0.874	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72	-29.4	177.7	-66.6	-175.6	171.8	0	0	112.3	R197	E195-R197 PolarHBondContact O-N 3.38Å
196	N	75.4	Confident	89.6	Confident	134 Å²	134	56.5 Å²	56.5	72%	0.717	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.2	-9.7	178.5	-65.9	-25.7	0	0	0	113.4	G194 D198	G194-N196 VanDerWaalsContact C-N 3.34Å; N196-D198 VanDerWaalsContact C-N 3.34Å
197	R	78.4	Confident	89.6	Confident	168 Å²	168	57.1 Å²	57.1	63%	0.634	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.4	46.3	-174.1	-50.7	-173	-166.8	-158.3	5.8	112.1	T192 C193 G194 E195 D199 E361	T192-R197 HydrophobicContact CG2-CB 3.58Å; T192-R197 HydrophobicContact CG2-CG 4.05Å; C193-R197 PolarHBondContact O-N 3.46Å; G194-R197 PolarHBondContact O-N 3.21Å; E195-R197 PolarHBondContact O-N 3.38Å; R197-D199 PolarHBondContact O-N 3.3Å; R197-E361 IonicContact NH2-OE1 3.4Å
198	D	83.6	Confident	89.4	Confident	96 Å²	96	59.7 Å²	59.7	51%	0.513	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.1	122.6	172.6	-65.2	-46	0	0	0	107.8	C193 N196	C193-D198 WeakPolarHBondContact CA-O 3.32Å; C193-D198 VanDerWaalsContact CB-O 3.29Å; C193-D198 WeakPolarHBondContact CB-O 3.49Å; C193-D198 PolarHBondContact N-O 3.4Å; C193-D198 PolarHBondContact O-N 2.99Å; N196-D198 VanDerWaalsContact C-N 3.34Å
199	D	87.6	Confident	89.3	Confident	90 Å²	90	64.1 Å²	64.1	48%	0.481	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	118.3	-179.5	-72	-30.5	0	0	0	110.2	V190 T192 R197	V190-D199 HydrophobicContact CG1-CB 3.94Å; T192-D199 PolarHBondContact OG1-OD1 2.64Å; R197-D199 PolarHBondContact O-N 3.3Å
200	E	90.2	Very high	89.4	Confident	54 Å²	54	64.6 Å²	64.6	25%	0.252	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	156.9	165.7	-70.2	-63.3	166.5	0	0	109.6	I29 V190 F191	I29-E200 HydrophobicContact CG1-CB 4.43Å; I29-E200 HydrophobicContact CG2-CB 4.46Å; V190-E200 CarbonylContact C-O 3.53Å; V190-E200 WeakPolarHBondContact CA-O 3.47Å; F191-E200 PolarHBondContact N-O 3.25Å; F191-E200 PolarHBondContact O-N 3.3Å
201	W	91.4	Very high	89.6	Confident	96 Å²	96	63.4 Å²	63.4	36%	0.364	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	153.2	176.2	61.6	96.2	0	0	0	111.5	I29 K36 G189 V190	I29-W201 VanDerWaalsContact CD1-O 3.27Å; I29-W201 WeakPolarHBondContact CD1-O 3.36Å; K36-W201 VanDerWaalsContact CE-CZ2 3.43Å; K36-W201 WeakPolarHBondContact CG-O 3.44Å; K36-W201 VanDerWaalsContact NZ-CH2 3.25Å; G189-W201 CarbonylContact O-C 3.56Å; G189-W201 WeakPolarHBondContact O-CA 3.37Å; G189-W201 WeakPolarHBondContact O-CB 3.3Å; V190-W201 HydrophobicContact CG2-CB 4.3Å
202	A	94.9	Very high	89.9	Confident	1 Å²	1	67.2 Å²	67.2	1%	0.008	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	138.4	169.7	0	0	0	0	0	109.2	I29 Y54 Y91 S188 G189 F191	I29-A202 HydrophobicContact CD1-CB 3.82Å; Y54-A202 HydrophobicContact CD1-CB 3.54Å; Y54-A202 HydrophobicContact CE1-CB 4.29Å; Y54-A202 HydrophobicContact CG-CB 4.39Å; Y91-A202 HydrophobicContact CE1-CB 4.12Å; S188-A202 CarbonylContact C-O 3.58Å; S188-A202 WeakPolarHBondContact CA-O 3.45Å; S188-A202 WeakPolarHBondContact CB-O 3.43Å; G189-A202 PolarHBondContact N-O 3.27Å; G189-A202 PolarHBondContact O-N 3.22Å; F191-A202 HydrophobicContact CE2-CB 3.8Å
203	E	96.3	Very high	90.4	Very high	42 Å²	42	66 Å²	66	20%	0.196	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	136.6	-179	-171.4	177.8	116.3	0	0	110.4	K36 Y37 L186	K36-E203 PolarHBondContact O-N 2.94Å; Y37-E203 HydrophobicContact CD1-CB 4.04Å; Y37-E203 HydrophobicContact CE1-CB 4.01Å; L186-E203 HydrophobicContact CD1-CG 4.35Å; L186-E203 HydrophobicContact CD2-CG 4.44Å
204	V	97.3	Very high	90.9	Very high	1 Å²	1	66 Å²	66	1%	0.006	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	106.1	173.1	-179.2	0	0	0	0	107.7	N53 L186 F187	N53-V204 HydrophobicContact CB-CG1 4.31Å; N53-V204 HydrophobicContact CB-CG2 3.69Å; N53-V204 WeakPolarHBondContact ND2-CG1 3.41Å; L186-V204 CarbonylContact C-O 3.58Å; L186-V204 WeakPolarHBondContact CA-O 3.19Å; L186-V204 WeakPolarHBondContact CB-O 3.44Å; F187-V204 HydrophobicContact CD1-CB 4.02Å; F187-V204 HydrophobicContact CD1-CG1 4.38Å; F187-V204 HydrophobicContact CE1-CB 3.47Å; F187-V204 VanDerWaalsContact CE1-CB 3.47Å; F187-V204 HydrophobicContact CE1-CG1 3.56Å; F187-V204 HydrophobicContact CE1-CG2 4.1Å; F187-V204 HydrophobicContact CE2-CB 4.13Å; F187-V204 HydrophobicContact CE2-CG2 3.99Å; F187-V204 HydrophobicContact CZ-CB 3.54Å; F187-V204 HydrophobicContact CZ-CG1 3.86Å; F187-V204 HydrophobicContact CZ-CG2 3.62Å; F187-V204 PolarHBondContact N-O 3.38Å; F187-V204 PolarHBondContact O-N 3.46Å
205	E	96.8	Very high	91.9	Very high	79 Å²	79	62.6 Å²	62.6	37%	0.369	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	132.8	177.4	-172.5	-176.1	176.5	0	0	110.4	L186 P207	L186-E205 HydrophobicContact CB-CB 4.26Å; L186-E205 HydrophobicContact CB-CG 4.41Å; E205-P207 WeakPolarHBondContact O-CD 3.27Å
206	V	97.6	Very high	93.1	Very high	0 Å²	0	54.3 Å²	54.3	0%	0	26%	0.263	C	S	.	.	P	Polyproline II helix	trans	-72.6	123.2	169.6	-178.6	0	0	0	0	108.7	F169 Y171 S185 K208 I211 V217	F169-V206 HydrophobicContact CD2-CG2 3.67Å; F169-V206 HydrophobicContact CE2-CG2 4.01Å; Y171-V206 WeakPolarHBondContact OH-CG1 3.3Å; S185-V206 PolarHBondContact O-N 2.85Å; V206-K208 PolarHBondContact O-N 2.03Å; V206-K208 VanDerWaalsContact O-N 3.16Å; V206-I211 HydrophobicContact CB-CD1 4.41Å; V206-I211 HydrophobicContact CB-CG1 4.48Å; V206-I211 HydrophobicContact CG1-CD1 4.42Å; V206-I211 HydrophobicContact CG1-CG1 3.95Å; V206-V217 HydrophobicContact CG1-CG2 3.91Å; V206-V217 HydrophobicContact CG2-CB 4.49Å; V206-V217 HydrophobicContact CG2-CG1 4.03Å; V206-V217 HydrophobicContact CG2-CG2 4.42Å
207	P	96.2	Very high	94.2	Very high	39 Å²	39	48 Å²	48	25%	0.253	23%	0.229	S	C	.	.	P	Polyproline II helix	trans	-61.5	124.8	-179.9	-17.5	27.5	0	0	0	110.8	I60 E205 K209 W210	I60-P207 HydrophobicContact CD1-CG 4.38Å; E205-P207 WeakPolarHBondContact O-CD 3.27Å; P207-K209 HydrophobicContact CB-CG 4.42Å; P207-K209 PolarHBondContact O-N 2.99Å; P207-W210 WeakPolarHBondContact O-CB 3.38Å; P207-W210 PolarHBondContact O-N 3.09Å
208	K	94.7	Very high	95.1	Very high	54 Å²	54	40.5 Å²	40.5	24%	0.235	20%	0.202	C	C	.	.	G	3₁₀ helix	trans	-48.4	-29.9	-175.6	-65.2	168.1	171.9	-178.7	0	115.1	K180 D181 Y184 V206 W210 I211	K180-K208 HydrophobicContact CB-CB 4.3Å; K180-K208 WeakPolarHBondContact O-CD 3.4Å; K180-K208 WeakPolarHBondContact O-CG 3.45Å; D181-K208 WeakPolarHBondContact OD1-CD 3.34Å; D181-K208 IonicContact OD1-NZ 2.63Å; D181-K208 PolarHBondContact OD1-NZ 3.06Å; Y184-K208 VanDerWaalsContact CE1-NZ 3.28Å; Y184-K208 PolarHBondContact OH-NZ 3.15Å; Y184-K208 VanDerWaalsContact OH-NZ 3.16Å; V206-K208 PolarHBondContact O-N 2.03Å; V206-K208 VanDerWaalsContact O-N 3.16Å; K208-W210 PolarHBondContact O-N 2.9Å; K208-I211 PolarHBondContact O-N 3.32Å
209	K	94.3	Very high	95.8	Very high	97 Å²	97	36 Å²	36	42%	0.422	18%	0.177	S	C	.	.	G	3₁₀ helix	trans	-61.6	-22.7	177.4	72.7	-178.1	-175	-176	0	113.3	E44 E49 P207	E44-K209 IonicContact OE1-NZ 3.07Å; E44-K209 PolarHBondContact OE1-NZ 3.37Å; E44-K209 IonicContact OE2-NZ 2.56Å; E44-K209 PolarHBondContact OE2-NZ 2.94Å; E44-K209 VanDerWaalsContact OE2-NZ 3.07Å; E49-K209 VanDerWaalsContact OE2-CE 3.27Å; E49-K209 WeakPolarHBondContact OE2-CE 3.39Å; E49-K209 IonicContact OE2-NZ 2.65Å; E49-K209 PolarHBondContact OE2-NZ 3.43Å; P207-K209 HydrophobicContact CB-CG 4.42Å; P207-K209 PolarHBondContact O-N 2.99Å
210	W	96.2	Very high	96.2	Very high	10 Å²	10	32.1 Å²	32.1	4%	0.038	16%	0.156	C	C	.	.	G	3₁₀ helix	trans	-97.3	-10.7	-178.8	-64	117.1	0	0	0	113.6	E44 N45 E49 I60 L62 P207 K208 Q212 T215	E44-W210 HydrophobicContact CG-CZ2 4.02Å; N45-W210 WeakPolarHBondContact O-CH2 3.12Å; E49-W210 HydrophobicContact CB-CH2 4.47Å; E49-W210 HydrophobicContact CB-CZ2 3.63Å; E49-W210 PolarHBondContact OE2-NE1 3.27Å; I60-W210 HydrophobicContact CB-CD2 4.42Å; I60-W210 HydrophobicContact CB-CG 4.48Å; I60-W210 HydrophobicContact CD1-CB 4.01Å; I60-W210 HydrophobicContact CD1-CD2 4.28Å; I60-W210 HydrophobicContact CD1-CG 3.63Å; I60-W210 HydrophobicContact CG2-CB 3.77Å; I60-W210 HydrophobicContact CG2-CD2 3.61Å; I60-W210 HydrophobicContact CG2-CE3 3.65Å; I60-W210 HydrophobicContact CG2-CG 3.67Å; I60-W210 HydrophobicContact CG2-CZ3 4.46Å; L62-W210 HydrophobicContact CD1-CE3 4.21Å; L62-W210 HydrophobicContact CD1-CZ3 3.79Å; L62-W210 HydrophobicContact CD2-CE3 3.68Å; L62-W210 HydrophobicContact CD2-CZ3 4.03Å; L62-W210 HydrophobicContact CG-CE3 3.9Å; L62-W210 HydrophobicContact CG-CZ3 3.7Å; P207-W210 WeakPolarHBondContact O-CB 3.38Å; P207-W210 PolarHBondContact O-N 3.09Å; K208-W210 PolarHBondContact O-N 2.9Å; W210-Q212 PolarHBondContact O-N 2.99Å; W210-T215 WeakPolarHBondContact O-CB 3.4Å; W210-T215 VanDerWaalsContact O-CG2 3.29Å; W210-T215 WeakPolarHBondContact O-CG2 3.1Å; W210-T215 PolarHBondContact O-OG1 3.35Å; W210-T215 VanDerWaalsContact O-OG1 3.12Å
211	I	96.7	Very high	96.3	Very high	14 Å²	14	31.2 Å²	31.2	7%	0.072	16%	0.155	C	C	.	.			trans	-77.9	88.5	-179	-56.6	-174.2	0	0	0	109.3	F155 Y171 V174 V183 V206 K208	F155-I211 HydrophobicContact CE2-CG2 4.39Å; Y171-I211 HydrophobicContact CD1-CG2 3.82Å; Y171-I211 HydrophobicContact CE1-CB 4.37Å; Y171-I211 HydrophobicContact CE1-CG1 4.27Å; Y171-I211 HydrophobicContact CE1-CG2 3.55Å; Y171-I211 HydrophobicContact CE2-CG1 4.39Å; Y171-I211 HydrophobicContact CG-CG2 4.44Å; V174-I211 HydrophobicContact CG2-CG2 4.31Å; V183-I211 HydrophobicContact CB-CG2 4.15Å; V183-I211 HydrophobicContact CG2-CB 4.18Å; V183-I211 HydrophobicContact CG2-CG2 3.56Å; V206-I211 HydrophobicContact CB-CD1 4.41Å; V206-I211 HydrophobicContact CB-CG1 4.48Å; V206-I211 HydrophobicContact CG1-CD1 4.42Å; V206-I211 HydrophobicContact CG1-CG1 3.95Å; K208-I211 PolarHBondContact O-N 3.32Å
212	Q	96.2	Very high	96.4	Very high	87 Å²	87	26.9 Å²	26.9	41%	0.407	14%	0.139	S	C	.	.	S	Bend	trans	-148.3	158.2	175.8	64.4	-178.3	-19.9	0	0	111.6	L62 Y171 W210 G214 T215	L62-Q212 HydrophobicContact CD2-CG 4.06Å; Y171-Q212 WeakPolarHBondContact CB-O 3.28Å; W210-Q212 PolarHBondContact O-N 2.99Å; Q212-G214 PolarHBondContact O-N 2.92Å; Q212-T215 VanDerWaalsContact CG-OG1 3.26Å; Q212-T215 WeakPolarHBondContact CG-OG1 3.36Å; Q212-T215 VanDerWaalsContact O-CB 3.23Å; Q212-T215 WeakPolarHBondContact O-CB 3.26Å; Q212-T215 PolarHBondContact O-N 3.48Å; Q212-T215 VanDerWaalsContact O-N 3.07Å; Q212-T215 PolarHBondContact O-OG1 3.31Å
213	S	97.4	Very high	96.1	Very high	55 Å²	55	28.5 Å²	28.5	39%	0.385	16%	0.156	S	C	.	.	T	Hydrogen-bonded Turn	trans	-49.9	134.7	-179.6	-53.4	0	0	0	0	112.7	Y171 V174 T215	Y171-S213 CarbonylContact O-C 3.45Å; Y171-S213 WeakPolarHBondContact O-CA 3.47Å; V174-S213 PolarHBondContact N-OG 2.9Å; V174-S213 PolarHBondContact O-OG 3.34Å; S213-T215 VanDerWaalsContact C-N 3.29Å
214	G	97.6	Very high	95.7	Very high	11 Å²	11	31.2 Å²	31.2	11%	0.113	17%	0.171	C	C	.	.	T	Hydrogen-bonded Turn	trans	77.4	10	-179.1	0	0	0	0	0	114.2	N63 Q64 Y171 Q212	N63-G214 CarbonylContact C-O 3.52Å; N63-G214 PolarHBondContact N-O 2.98Å; Q64-G214 PolarHBondContact N-O 2.83Å; Y171-G214 PolarHBondContact O-N 2.84Å; Q212-G214 PolarHBondContact O-N 2.92Å
215	T	98.3	Very high	95.4	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	17%	0.171	C	C	.	.			trans	-84.7	132.7	173.1	-53.4	0	0	0	0	110.4	I60 R61 L62 Y170 Y171 W210 Q212 S213 V217	I60-T215 HydrophobicContact CG2-CG2 3.78Å; R61-T215 WeakPolarHBondContact O-CA 3.41Å; L62-T215 HydrophobicContact CD2-CG2 3.85Å; L62-T215 WeakPolarHBondContact CD2-OG1 3.48Å; Y170-T215 WeakPolarHBondContact CA-O 3.32Å; Y171-T215 HydrophobicContact CD2-CG2 4.22Å; Y171-T215 WeakPolarHBondContact CD2-O 3.39Å; Y171-T215 HydrophobicContact CE2-CG2 4.47Å; Y171-T215 PolarHBondContact N-O 3.41Å; W210-T215 WeakPolarHBondContact O-CB 3.4Å; W210-T215 VanDerWaalsContact O-CG2 3.29Å; W210-T215 WeakPolarHBondContact O-CG2 3.1Å; W210-T215 PolarHBondContact O-OG1 3.35Å; W210-T215 VanDerWaalsContact O-OG1 3.12Å; Q212-T215 VanDerWaalsContact CG-OG1 3.26Å; Q212-T215 WeakPolarHBondContact CG-OG1 3.36Å; Q212-T215 VanDerWaalsContact O-CB 3.23Å; Q212-T215 WeakPolarHBondContact O-CB 3.26Å; Q212-T215 PolarHBondContact O-N 3.48Å; Q212-T215 VanDerWaalsContact O-N 3.07Å; Q212-T215 PolarHBondContact O-OG1 3.31Å; S213-T215 VanDerWaalsContact C-N 3.29Å; T215-V217 HydrophobicContact CG2-CG2 4.08Å
216	L	98.4	Very high	95.1	Very high	13 Å²	13	30.3 Å²	30.3	7%	0.068	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	127.6	169.6	-179.4	62.9	0	0	0	108.9	R61 Q64 P67 A168 F169 Y170 E218	R61-L216 PolarHBondContact N-O 2.93Å; R61-L216 PolarHBondContact O-N 3.39Å; Q64-L216 HydrophobicContact CB-CB 3.83Å; Q64-L216 HydrophobicContact CB-CD2 4.5Å; Q64-L216 HydrophobicContact CG-CB 3.68Å; Q64-L216 HydrophobicContact CG-CD2 4.38Å; P67-L216 HydrophobicContact CG-CD1 4.33Å; A168-L216 HydrophobicContact CB-CD1 4.27Å; F169-L216 WeakPolarHBondContact O-CA 3.42Å; Y170-L216 HydrophobicContact CD2-CB 4.33Å; Y170-L216 HydrophobicContact CD2-CD1 4.34Å; L216-E218 HydrophobicContact CD1-CG 4.28Å; L216-E218 HydrophobicContact CD2-CG 4.2Å; L216-E218 HydrophobicContact CG-CG 3.98Å
217	V	98.3	Very high	94.6	Very high	0 Å²	0	37 Å²	37	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	119.3	174.9	-175.6	0	0	0	0	108.2	Q58 L59 I60 A168 F169 Y171 V206 T215 H219	Q58-V217 HydrophobicContact CG-CG1 3.75Å; L59-V217 CarbonylContact O-C 3.59Å; L59-V217 WeakPolarHBondContact O-CA 3.13Å; I60-V217 HydrophobicContact CG1-CG1 3.98Å; I60-V217 HydrophobicContact CG1-CG2 4.09Å; I60-V217 HydrophobicContact CG2-CG2 4.23Å; A168-V217 CarbonylContact C-O 3.58Å; A168-V217 WeakPolarHBondContact CA-O 3.43Å; A168-V217 WeakPolarHBondContact CB-O 3.34Å; F169-V217 HydrophobicContact CB-CB 4.39Å; F169-V217 PolarHBondContact N-O 3.48Å; F169-V217 PolarHBondContact O-N 2.88Å; Y171-V217 HydrophobicContact CE2-CG2 3.84Å; V206-V217 HydrophobicContact CG1-CG2 3.91Å; V206-V217 HydrophobicContact CG2-CB 4.49Å; V206-V217 HydrophobicContact CG2-CG1 4.03Å; V206-V217 HydrophobicContact CG2-CG2 4.42Å; T215-V217 HydrophobicContact CG2-CG2 4.08Å; V217-H219 VanDerWaalsContact CG1-CE1 3.42Å; V217-H219 WeakPolarHBondContact CG1-CE1 3.39Å
218	E	97.9	Very high	94.3	Very high	12 Å²	12	37.8 Å²	37.8	6%	0.056	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	127.1	-178.1	-71	165	98.5	0	0	110.8	Q58 L59 R61 K166 A168 L216 N261	Q58-E218 CarbonylContact C-O 3.56Å; Q58-E218 WeakPolarHBondContact CA-O 3.49Å; L59-E218 PolarHBondContact N-O 2.94Å; L59-E218 PolarHBondContact O-N 3.04Å; R61-E218 IonicContact CZ-OE2 3.97Å; R61-E218 IonicContact NE-OE2 3.45Å; R61-E218 IonicContact NH2-OE1 2.77Å; R61-E218 IonicContact NH2-OE2 2.66Å; R61-E218 PolarHBondContact NH2-OE2 3.02Å; K166-E218 WeakPolarHBondContact CE-OE1 3.48Å; K166-E218 IonicContact NZ-OE1 2.68Å; K166-E218 PolarHBondContact NZ-OE1 2.99Å; A168-E218 HydrophobicContact CB-CG 3.89Å; L216-E218 HydrophobicContact CD1-CG 4.28Å; L216-E218 HydrophobicContact CD2-CG 4.2Å; L216-E218 HydrophobicContact CG-CG 3.98Å; E218-N261 PolarHBondContact OE1-ND2 3.28Å
219	H	97.3	Very high	94	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	121.9	176.6	-55.3	94.3	0	0	0	110	Y56 S57 Q58 K166 I167 F169 F187 V217	Y56-H219 HydrophobicContact CD1-CB 3.87Å; Y56-H219 HydrophobicContact CG-CB 4.48Å; S57-H219 CarbonylContact O-C 3.46Å; S57-H219 WeakPolarHBondContact O-CA 3.47Å; Q58-H219 WeakPolarHBondContact CG-NE2 3.49Å; Q58-H219 PolarHBondContact OE1-NE2 3.45Å; K166-H219 VanDerWaalsContact CA-O 3.26Å; K166-H219 WeakPolarHBondContact CA-O 3.15Å; K166-H219 WeakPolarHBondContact CG-O 3.45Å; I167-H219 HydrophobicContact CB-CB 4.38Å; I167-H219 PolarHBondContact N-O 3.19Å; I167-H219 WeakPolarHBondContact O-CA 3.48Å; I167-H219 WeakPolarHBondContact O-CB 3.3Å; I167-H219 PolarHBondContact O-N 2.81Å; I167-H219 PolarHBondContact O-ND1 3.23Å; F169-H219 AromaticContact CD2-CE1 3.81Å; F169-H219 AromaticContact CE2-CE1 3.68Å; F187-H219 HydrophobicContact CE1-CB 4.04Å; F187-H219 AromaticContact CE1-CD2 3.51Å; F187-H219 AromaticContact CE1-CE1 3.68Å; F187-H219 AromaticContact CE1-CG 3.44Å; F187-H219 VanDerWaalsContact CE1-CG 3.44Å; F187-H219 AromaticContact CE1-ND1 3.58Å; F187-H219 AromaticContact CE1-NE2 3.66Å; F187-H219 HydrophobicContact CZ-CB 4.01Å; F187-H219 AromaticContact CZ-CD2 3.96Å; F187-H219 AromaticContact CZ-CG 3.87Å; V217-H219 VanDerWaalsContact CG1-CE1 3.42Å; V217-H219 WeakPolarHBondContact CG1-CE1 3.39Å
220	E	95.5	Very high	93.8	Very high	9 Å²	9	41.6 Å²	41.6	4%	0.042	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	137.6	178.3	-71.1	173.8	-138.3	0	0	110.3	Y56 S57 K166 L222 D258 N261 K265	Y56-E220 CarbonylContact C-O 3.35Å; Y56-E220 WeakPolarHBondContact CA-O 3.28Å; S57-E220 PolarHBondContact N-O 2.84Å; S57-E220 PolarHBondContact O-N 2.63Å; S57-E220 PolarHBondContact OG-O 3.25Å; K166-E220 HydrophobicContact CD-CG 4.48Å; K166-E220 HydrophobicContact CG-CG 4.38Å; E220-L222 PolarHBondContact O-N 3.45Å; E220-D258 HydrophobicContact CG-CB 4.43Å; E220-D258 WeakPolarHBondContact OE1-CB 3.11Å; E220-D258 WeakPolarHBondContact OE2-CB 3.49Å; E220-N261 PolarHBondContact OE1-ND2 2.89Å; E220-N261 VanDerWaalsContact OE1-ND2 3.11Å; E220-K265 IonicContact OE1-NZ 3.84Å; E220-K265 PolarHBondContact OE1-NZ 3.29Å; E220-K265 IonicContact OE2-NZ 3.95Å; E220-K265 PolarHBondContact OE2-NZ 3.31Å
221	V	94.2	Very high	93.6	Very high	36 Å²	36	44.7 Å²	44.7	22%	0.218	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.2	126.2	176.9	178.5	0	0	0	0	110	Y55 Y56	Y55-V221 HydrophobicContact CD1-CG1 4.23Å; Y55-V221 HydrophobicContact CE1-CG1 3.79Å; Y55-V221 HydrophobicContact CE1-CG2 4.32Å; Y56-V221 HydrophobicContact CD1-CG2 4.32Å; Y56-V221 HydrophobicContact CE1-CG2 3.71Å
222	L	92.8	Very high	93.3	Very high	4 Å²	4	49.1 Å²	49.1	2%	0.021	27%	0.271	C	S	.	.			trans	-74.1	-29.8	178.8	-76.7	169	0	0	0	112.9	H52 N53 Y55 E220 C225 A255	H52-L222 VanDerWaalsContact CE1-CD2 3.45Å; H52-L222 WeakPolarHBondContact CE1-CD2 3.36Å; N53-L222 WeakPolarHBondContact O-CD1 3.47Å; Y55-L222 PolarHBondContact O-N 2.85Å; E220-L222 PolarHBondContact O-N 3.45Å; L222-C225 PolarHBondContact O-N 2.92Å; L222-A255 WeakPolarHBondContact O-CB 3.47Å
223	G	88.4	Confident	93.1	Very high	36 Å²	36	47.4 Å²	47.4	37%	0.371	27%	0.266	S	S	.	.	G	3₁₀ helix	trans	54	-145.3	-175.4	0	0	0	0	0	112.4	C225 S226	G223-C225 VanDerWaalsContact C-N 3.29Å; G223-C225 PolarHBondContact O-N 2.67Å; G223-S226 PolarHBondContact O-OG 3.43Å
224	D	88.3	Confident	92.9	Very high	98 Å²	98	44.8 Å²	44.8	52%	0.524	25%	0.248	S	C	.	.	G	3₁₀ helix	trans	-75.4	-13.9	-177.5	-70.6	-28.5	0	0	0	114	S226 K227 H228	D224-S226 VanDerWaalsContact C-N 3.25Å; D224-S226 PolarHBondContact O-N 3.4Å; D224-K227 HydrophobicContact CB-CD 4.42Å; D224-K227 VanDerWaalsContact O-CB 3.32Å; D224-K227 WeakPolarHBondContact O-CB 3.3Å; D224-K227 PolarHBondContact O-N 2.86Å; D224-K227 WeakPolarHBondContact OD1-CE 3.49Å; D224-K227 IonicContact OD1-NZ 3.45Å; D224-K227 PolarHBondContact OD1-NZ 2.66Å; D224-H228 PolarHBondContact O-CD2 2.77Å; D224-H228 VanDerWaalsContact O-CD2 3.26Å
225	C	91.4	Very high	92.4	Very high	1 Å²	1	49.5 Å²	49.5	1%	0.007	27%	0.267	C	S	.	.	G	3₁₀ helix	trans	-53	-46.2	179.4	-62.1	0	0	0	0	111.3	L222 G223 K227 H228 T242 C244 C253 A255	L222-C225 PolarHBondContact O-N 2.92Å; G223-C225 VanDerWaalsContact C-N 3.29Å; G223-C225 PolarHBondContact O-N 2.67Å; C225-K227 PolarHBondContact O-N 3.47Å; C225-H228 PolarHBondContact O-N 2.68Å; C225-T242 WeakPolarHBondContact SG-CG2 3.32Å; C225-C244 WeakPolarHBondContact CA-SG 3.35Å; C225-C244 HydrophobicContact CB-CB 3.81Å; C225-C244 WeakPolarHBondContact CB-SG 3.42Å; C225-C244 WeakPolarHBondContact SG-CA 3.09Å; C225-C244 WeakPolarHBondContact SG-CB 3.27Å; C225-C244 CovalentContact SG-SG 2.04Å; C225-C244 PolarHBondContact SG-SG 3.15Å; C225-C253 WeakPolarHBondContact O-CB 3.24Å; C225-C253 PolarHBondContact O-SG 3.44Å; C225-A255 HydrophobicContact CB-CB 4.41Å
226	S	88.7	Confident	92	Very high	60 Å²	60	55.8 Å²	55.8	42%	0.42	30%	0.301	S	S	.	.	G	3₁₀ helix	trans	-61	-16.2	-178.8	62.2	0	0	0	0	114.8	G223 D224	G223-S226 PolarHBondContact O-OG 3.43Å; D224-S226 VanDerWaalsContact C-N 3.25Å; D224-S226 PolarHBondContact O-N 3.4Å
227	K	87.4	Confident	91.5	Very high	142 Å²	142	56.2 Å²	56.2	62%	0.617	31%	0.306	S	S	*	.	G	3₁₀ helix	trans	-81.2	-16.8	178	-59.1	176.6	179.7	167	0	112.8	D224 C225	D224-K227 HydrophobicContact CB-CD 4.42Å; D224-K227 VanDerWaalsContact O-CB 3.32Å; D224-K227 WeakPolarHBondContact O-CB 3.3Å; D224-K227 PolarHBondContact O-N 2.86Å; D224-K227 WeakPolarHBondContact OD1-CE 3.49Å; D224-K227 IonicContact OD1-NZ 3.45Å; D224-K227 PolarHBondContact OD1-NZ 2.66Å; C225-K227 PolarHBondContact O-N 3.47Å
228	H	89.7	Confident	90.8	Very high	55 Å²	55	63 Å²	63	26%	0.255	34%	0.335	S	S	.	.			trans	-86.1	118.4	-179.5	-64.2	-74.4	0	0	0	110.7	D224 C225 T233 C234 A237 C253	D224-H228 PolarHBondContact O-CD2 2.77Å; D224-H228 VanDerWaalsContact O-CD2 3.26Å; C225-H228 PolarHBondContact O-N 2.68Å; H228-T233 PolarHBondContact ND1-O 3.39Å; H228-C234 HydrophobicContact CB-CB 4.1Å; H228-A237 VanDerWaalsContact NE2-CB 3.26Å; H228-A237 WeakPolarHBondContact NE2-CB 3.42Å; H228-C253 HydrophobicContact CB-CB 4.11Å; H228-C253 VanDerWaalsContact O-CB 3.26Å; H228-C253 WeakPolarHBondContact O-CB 3.32Å
229	N	89.1	Confident	90.1	Very high	127 Å²	127	65.6 Å²	65.6	68%	0.679	35%	0.352	S	S	*	.			trans	-104.3	6.7	-177.8	66	-16.7	0	0	0	113.7
230	L	90.5	Very high	89.4	Confident	104 Å²	104	72 Å²	72	55%	0.545	39%	0.393	S	S	.	.	S	Bend	trans	-130.9	138.9	178	-62.4	171.4	0	0	0	109.7	N232 T233 C234	L230-N232 PolarHBondContact O-N 2.79Å; L230-T233 HydrophobicContact CB-CG2 4.21Å; L230-T233 HydrophobicContact CD1-CG2 4.46Å; L230-T233 PolarHBondContact O-N 3.02Å; L230-T233 VanDerWaalsContact O-N 3.08Å; L230-T233 PolarHBondContact O-OG1 3.31Å; L230-C234 PolarHBondContact O-N 3.13Å
231	I	90.6	Very high	88.7	Confident	75 Å²	75	78.3 Å²	78.3	39%	0.385	43%	0.427	S	S	.	.	H	α-helix	trans	-47.9	-55.7	-179.5	-173.9	169.2	0	0	0	112.8	T233 C234 E235 W246	I231-T233 VanDerWaalsContact C-N 3.31Å; I231-T233 PolarHBondContact O-N 3.18Å; I231-C234 WeakPolarHBondContact O-CB 3.32Å; I231-C234 PolarHBondContact O-N 3.09Å; I231-C234 VanDerWaalsContact O-N 3.07Å; I231-E235 HydrophobicContact CG1-CG 4.46Å; I231-E235 WeakPolarHBondContact O-CG 2.96Å; I231-E235 PolarHBondContact O-N 3.35Å; I231-W246 HydrophobicContact CB-CD2 4.06Å; I231-W246 HydrophobicContact CB-CG 4.03Å; I231-W246 HydrophobicContact CD1-CG 4.33Å; I231-W246 HydrophobicContact CG1-CB 4.06Å; I231-W246 HydrophobicContact CG1-CD2 4.37Å; I231-W246 HydrophobicContact CG1-CG 3.81Å
232	N	90.6	Very high	88.3	Confident	107 Å²	107	78.2 Å²	78.2	57%	0.572	43%	0.427	S	S	*	.	H	α-helix	trans	-59.3	-43.2	-178.4	-61.2	-11.4	0	0	0	111.6	L230 C234 E235 D236	L230-N232 PolarHBondContact O-N 2.79Å; N232-C234 VanDerWaalsContact C-N 3.29Å; N232-C234 PolarHBondContact O-N 2.58Å; N232-E235 PolarHBondContact O-N 3.22Å; N232-D236 VanDerWaalsContact O-CB 3.24Å; N232-D236 WeakPolarHBondContact O-CB 3.32Å; N232-D236 PolarHBondContact O-N 2.94Å
233	T	92.6	Very high	88.2	Confident	51 Å²	51	80.2 Å²	80.2	31%	0.313	44%	0.438	S	S	.	.	H	α-helix	trans	-68.6	-30.4	-179.8	63.6	0	0	0	0	112.6	H228 L230 I231 A237	H228-T233 PolarHBondContact ND1-O 3.39Å; L230-T233 HydrophobicContact CB-CG2 4.21Å; L230-T233 HydrophobicContact CD1-CG2 4.46Å; L230-T233 PolarHBondContact O-N 3.02Å; L230-T233 VanDerWaalsContact O-N 3.08Å; L230-T233 PolarHBondContact O-OG1 3.31Å; I231-T233 VanDerWaalsContact C-N 3.31Å; I231-T233 PolarHBondContact O-N 3.18Å; T233-A237 WeakPolarHBondContact O-CB 3.27Å; T233-A237 PolarHBondContact O-N 2.92Å
234	C	92.7	Very high	88.4	Confident	0 Å²	0	79 Å²	79	0%	0	42%	0.423	C	S	.	.	H	α-helix	trans	-69.5	-50.3	175.3	178	0	0	0	0	111	H228 L230 I231 N232 D236 A237 C244 I245 W246 C253	H228-C234 HydrophobicContact CB-CB 4.1Å; L230-C234 PolarHBondContact O-N 3.13Å; I231-C234 WeakPolarHBondContact O-CB 3.32Å; I231-C234 PolarHBondContact O-N 3.09Å; I231-C234 VanDerWaalsContact O-N 3.07Å; N232-C234 VanDerWaalsContact C-N 3.29Å; N232-C234 PolarHBondContact O-N 2.58Å; C234-D236 VanDerWaalsContact C-N 3.3Å; C234-D236 PolarHBondContact O-N 3.45Å; C234-A237 WeakPolarHBondContact O-CB 3.48Å; C234-A237 PolarHBondContact O-N 2.98Å; C234-C244 VanDerWaalsContact O-CB 3.27Å; C234-C244 WeakPolarHBondContact O-CB 3.5Å; C234-I245 VanDerWaalsContact SG-C 3.5Å; C234-I245 PolarHBondContact SG-O 3.13Å; C234-I245 VanDerWaalsContact SG-O 3.39Å; C234-W246 HydrophobicContact CB-CE3 3.69Å; C234-W246 HydrophobicContact CB-CZ3 4.35Å; C234-C253 VanDerWaalsContact CA-SG 3.51Å; C234-C253 HydrophobicContact CB-CB 3.57Å; C234-C253 WeakPolarHBondContact CB-SG 3.2Å; C234-C253 VanDerWaalsContact SG-CA 3.52Å; C234-C253 WeakPolarHBondContact SG-CB 3.44Å; C234-C253 CovalentContact SG-SG 2.02Å; C234-C253 PolarHBondContact SG-SG 2.81Å
235	E	88.4	Confident	88.6	Confident	110 Å²	110	75.2 Å²	75.2	51%	0.514	40%	0.403	S	S	.	.	H	α-helix	trans	-65.3	-35.4	-178.7	-66.7	-179	162.7	0	0	112	I231 N232 A237	I231-E235 HydrophobicContact CG1-CG 4.46Å; I231-E235 WeakPolarHBondContact O-CG 2.96Å; I231-E235 PolarHBondContact O-N 3.35Å; N232-E235 PolarHBondContact O-N 3.22Å; E235-A237 VanDerWaalsContact C-N 3.31Å; E235-A237 PolarHBondContact O-N 3.38Å
236	D	89.4	Confident	88.7	Confident	132 Å²	132	77.1 Å²	77.1	71%	0.706	41%	0.41	S	S	*	.	H	α-helix	trans	-75.9	-15.2	176.9	-70.7	-24.4	0	0	0	113.5	N232 C234 K238	N232-D236 VanDerWaalsContact O-CB 3.24Å; N232-D236 WeakPolarHBondContact O-CB 3.32Å; N232-D236 PolarHBondContact O-N 2.94Å; C234-D236 VanDerWaalsContact C-N 3.3Å; C234-D236 PolarHBondContact O-N 3.45Å; D236-K238 PolarHBondContact O-N 3.27Å
237	A	87.3	Confident	88.9	Confident	21 Å²	21	74.4 Å²	74.4	17%	0.174	39%	0.39	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.3	10.1	-176.3	0	0	0	0	0	114.6	H228 T233 C234 E235 T239	H228-A237 VanDerWaalsContact NE2-CB 3.26Å; H228-A237 WeakPolarHBondContact NE2-CB 3.42Å; T233-A237 WeakPolarHBondContact O-CB 3.27Å; T233-A237 PolarHBondContact O-N 2.92Å; C234-A237 WeakPolarHBondContact O-CB 3.48Å; C234-A237 PolarHBondContact O-N 2.98Å; E235-A237 VanDerWaalsContact C-N 3.31Å; E235-A237 PolarHBondContact O-N 3.38Å; A237-T239 PolarHBondContact O-N 3.43Å
238	K	83.6	Confident	89.1	Confident	144 Å²	144	74.1 Å²	74.1	63%	0.626	39%	0.392	S	S	*	.			trans	-64.1	125.6	-178.4	-173.9	175	-178.9	171.6	0	111.7	D236 T242 L243	D236-K238 PolarHBondContact O-N 3.27Å; K238-T242 WeakPolarHBondContact CA-O 3.15Å; K238-L243 HydrophobicContact CD-CD1 3.86Å; K238-L243 HydrophobicContact CG-CD1 4.21Å
239	T	83.9	Confident	89	Confident	66 Å²	66	79.9 Å²	79.9	41%	0.405	42%	0.416	S	S	.	.			trans	-113.7	170.8	170	77.4	0	0	0	0	109.7	A237 D241 T242	A237-T239 PolarHBondContact O-N 3.43Å; T239-D241 PolarHBondContact O-N 2.91Å; T239-D241 PolarHBondContact OG1-N 3.34Å; T239-T242 PolarHBondContact N-O 2.95Å; T239-T242 PolarHBondContact O-N 3.08Å; T239-T242 VanDerWaalsContact O-O 3.07Å; T239-T242 WeakPolarHBondContact OG1-CB 2.97Å; T239-T242 PolarHBondContact OG1-N 2.76Å; T239-T242 PolarHBondContact OG1-OG1 2.02Å
240	P	82	Confident	89	Confident	133 Å²	133	74.5 Å²	74.5	86%	0.864	39%	0.388	S	S	*	.	S	Bend	trans	-55.3	-31.8	174.7	-27.8	37	0	0	0	114
241	D	80.4	Confident	89.1	Confident	142 Å²	142	75.1 Å²	75.1	76%	0.759	39%	0.392	S	S	*	.	S	Bend	trans	-108.5	-3.2	-175.2	-57.4	-44	0	0	0	112.9	T239	T239-D241 PolarHBondContact O-N 2.91Å; T239-D241 PolarHBondContact OG1-N 3.34Å
242	T	85.6	Confident	89.2	Confident	34 Å²	34	72.4 Å²	72.4	21%	0.209	38%	0.378	C	S	.	.			trans	-135.9	119.9	-175.7	-52.1	0	0	0	0	111.5	C225 K238 T239 N257	C225-T242 WeakPolarHBondContact SG-CG2 3.32Å; K238-T242 WeakPolarHBondContact CA-O 3.15Å; T239-T242 PolarHBondContact N-O 2.95Å; T239-T242 PolarHBondContact O-N 3.08Å; T239-T242 VanDerWaalsContact O-O 3.07Å; T239-T242 WeakPolarHBondContact OG1-CB 2.97Å; T239-T242 PolarHBondContact OG1-N 2.76Å; T239-T242 PolarHBondContact OG1-OG1 2.02Å; T242-N257 VanDerWaalsContact CA-OD1 3.24Å; T242-N257 WeakPolarHBondContact CA-OD1 3.12Å
243	L	91.4	Very high	89.3	Confident	47 Å²	47	67.4 Å²	67.4	25%	0.246	35%	0.351	C	S	.	.			trans	-108.5	118.7	170.9	-179.9	63.5	0	0	0	108.7	K238 S256 N257 H262	K238-L243 HydrophobicContact CD-CD1 3.86Å; K238-L243 HydrophobicContact CG-CD1 4.21Å; L243-S256 PolarHBondContact O-N 3.46Å; L243-N257 PolarHBondContact N-OD1 3.12Å; L243-N257 PolarHBondContact O-OD1 3.37Å; L243-H262 WeakPolarHBondContact CD2-CE1 3.3Å
244	C	92.7	Very high	89.4	Confident	9 Å²	9	65 Å²	65	6%	0.061	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	143.3	175.2	-54.2	0	0	0	0	110.5	C225 C234 T254	C225-C244 WeakPolarHBondContact CA-SG 3.35Å; C225-C244 HydrophobicContact CB-CB 3.81Å; C225-C244 WeakPolarHBondContact CB-SG 3.42Å; C225-C244 WeakPolarHBondContact SG-CA 3.09Å; C225-C244 WeakPolarHBondContact SG-CB 3.27Å; C225-C244 CovalentContact SG-SG 2.04Å; C225-C244 PolarHBondContact SG-SG 3.15Å; C234-C244 VanDerWaalsContact O-CB 3.27Å; C234-C244 WeakPolarHBondContact O-CB 3.5Å; C244-T254 CarbonylContact C-O 3.59Å; C244-T254 VanDerWaalsContact CA-O 3.32Å; C244-T254 WeakPolarHBondContact CA-O 3.44Å
245	I	92.9	Very high	89.4	Confident	20 Å²	20	65 Å²	65	10%	0.103	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	147.3	172.6	67.5	174.6	0	0	0	109.7	C234 T254 K265 I266	C234-I245 VanDerWaalsContact SG-C 3.5Å; C234-I245 PolarHBondContact SG-O 3.13Å; C234-I245 VanDerWaalsContact SG-O 3.39Å; I245-T254 HydrophobicContact CD1-CG2 3.9Å; I245-T254 HydrophobicContact CG1-CG2 3.38Å; I245-T254 PolarHBondContact N-O 3.48Å; I245-T254 PolarHBondContact O-N 2.77Å; I245-K265 HydrophobicContact CD1-CB 3.73Å; I245-I266 HydrophobicContact CD1-CG1 4.23Å; I245-I266 HydrophobicContact CG2-CG1 4.46Å
246	W	93.8	Very high	89.5	Confident	41 Å²	41	59.9 Å²	59.9	16%	0.155	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	133.4	177.5	-173.2	-103.8	0	0	0	111.3	I231 C234 D251 C253	I231-W246 HydrophobicContact CB-CD2 4.06Å; I231-W246 HydrophobicContact CB-CG 4.03Å; I231-W246 HydrophobicContact CD1-CG 4.33Å; I231-W246 HydrophobicContact CG1-CB 4.06Å; I231-W246 HydrophobicContact CG1-CD2 4.37Å; I231-W246 HydrophobicContact CG1-CG 3.81Å; C234-W246 HydrophobicContact CB-CE3 3.69Å; C234-W246 HydrophobicContact CB-CZ3 4.35Å; W246-D251 HydrophobicContact CZ2-CB 4.35Å; W246-C253 HydrophobicContact CE3-CB 3.87Å; W246-C253 HydrophobicContact CZ3-CB 3.99Å
247	C	93.1	Very high	89.3	Confident	2 Å²	2	56.6 Å²	56.6	1%	0.014	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	89.5	177.8	-58.8	0	0	0	0	110.1	I42 K249 S250 D251 I252 C269	I42-C247 HydrophobicContact CG2-CB 3.97Å; C247-K249 PolarHBondContact O-N 2.86Å; C247-S250 VanDerWaalsContact CB-OG 3.31Å; C247-S250 WeakPolarHBondContact CB-OG 3.26Å; C247-S250 PolarHBondContact O-N 2.76Å; C247-S250 PolarHBondContact O-OG 3.03Å; C247-D251 PolarHBondContact O-N 2.04Å; C247-D251 VanDerWaalsContact O-N 3.09Å; C247-I252 PolarHBondContact N-O 3.41Å; C247-C269 HydrophobicContact CB-CB 3.66Å; C247-C269 WeakPolarHBondContact CB-SG 3.34Å; C247-C269 WeakPolarHBondContact SG-CB 3.43Å; C247-C269 CovalentContact SG-SG 2.03Å; C247-C269 PolarHBondContact SG-SG 3Å
248	E	90.6	Very high	89.3	Confident	137 Å²	137	56.8 Å²	56.8	64%	0.64	29%	0.294	S	S	*	.	G	3₁₀ helix	trans	-52.6	-49	-167.6	-173.2	172.7	-171.2	0	0	113.3	S250 D251	E248-S250 PolarHBondContact O-N 3.45Å; E248-S250 VanDerWaalsContact O-N 3.1Å; E248-D251 PolarHBondContact O-N 3.39Å
249	K	88	Confident	89.4	Confident	176 Å²	176	59 Å²	59	77%	0.765	30%	0.303	S	S	*	.	G	3₁₀ helix	trans	-59	-28.9	-179.3	-175.7	178.5	178.8	-176.2	0	113.9	C247	C247-K249 PolarHBondContact O-N 2.86Å
250	S	89.2	Confident	89.6	Confident	13 Å²	13	62.2 Å²	62.2	9%	0.091	32%	0.318	C	S	.	.	G	3₁₀ helix	trans	-105.3	-4.5	-173.4	66.5	0	0	0	0	113.6	K40 C247 E248 I252	K40-S250 WeakPolarHBondContact CE-O 3.47Å; K40-S250 PolarHBondContact NZ-O 3.19Å; C247-S250 VanDerWaalsContact CB-OG 3.31Å; C247-S250 WeakPolarHBondContact CB-OG 3.26Å; C247-S250 PolarHBondContact O-N 2.76Å; C247-S250 PolarHBondContact O-OG 3.03Å; E248-S250 PolarHBondContact O-N 3.45Å; E248-S250 VanDerWaalsContact O-N 3.1Å; S250-I252 VanDerWaalsContact C-N 3.28Å; S250-I252 PolarHBondContact O-N 3.26Å
251	D	91.9	Very high	89.9	Confident	117 Å²	117	55.9 Å²	55.9	63%	0.626	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.7	46.8	-173	-64.7	-47.9	0	0	0	113	W246 C247 E248	W246-D251 HydrophobicContact CZ2-CB 4.35Å; C247-D251 PolarHBondContact O-N 2.04Å; C247-D251 VanDerWaalsContact O-N 3.09Å; E248-D251 PolarHBondContact O-N 3.39Å
252	I	92.3	Very high	90.3	Very high	19 Å²	19	51.9 Å²	51.9	10%	0.097	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	138.8	-176.6	-83.8	-178.1	0	0	0	111	K40 I42 H52 C247 S250	K40-I252 HydrophobicContact CD-CD1 3.51Å; K40-I252 VanDerWaalsContact CE-CD1 3.45Å; K40-I252 HydrophobicContact CG-CD1 4.22Å; K40-I252 VanDerWaalsContact NZ-CD1 3.3Å; I42-I252 HydrophobicContact CD1-CB 4.26Å; I42-I252 HydrophobicContact CD1-CD1 3.71Å; I42-I252 HydrophobicContact CD1-CG2 4.14Å; H52-I252 WeakPolarHBondContact CE1-CG2 3.48Å; H52-I252 WeakPolarHBondContact ND1-CG2 3.08Å; C247-I252 PolarHBondContact N-O 3.41Å; S250-I252 VanDerWaalsContact C-N 3.28Å; S250-I252 PolarHBondContact O-N 3.26Å
253	C	93.9	Very high	90.5	Very high	2 Å²	2	56.9 Å²	56.9	1%	0.014	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	130.5	166.2	-174.2	0	0	0	0	110.3	C225 H228 C234 W246	C225-C253 WeakPolarHBondContact O-CB 3.24Å; C225-C253 PolarHBondContact O-SG 3.44Å; H228-C253 HydrophobicContact CB-CB 4.11Å; H228-C253 VanDerWaalsContact O-CB 3.26Å; H228-C253 WeakPolarHBondContact O-CB 3.32Å; C234-C253 VanDerWaalsContact CA-SG 3.51Å; C234-C253 HydrophobicContact CB-CB 3.57Å; C234-C253 WeakPolarHBondContact CB-SG 3.2Å; C234-C253 VanDerWaalsContact SG-CA 3.52Å; C234-C253 WeakPolarHBondContact SG-CB 3.44Å; C234-C253 CovalentContact SG-SG 2.02Å; C234-C253 PolarHBondContact SG-SG 2.81Å; W246-C253 HydrophobicContact CE3-CB 3.87Å; W246-C253 HydrophobicContact CZ3-CB 3.99Å
254	T	93.4	Very high	90.4	Very high	0 Å²	0	57 Å²	57	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	150.5	-177.5	-167.4	0	0	0	0	113.2	Y50 H52 C244 I245	Y50-T254 HydrophobicContact CE1-CG2 4.26Å; Y50-T254 PolarHBondContact OH-OG1 2.92Å; H52-T254 VanDerWaalsContact CE1-CB 3.44Å; H52-T254 WeakPolarHBondContact CE1-CB 3.4Å; H52-T254 PolarHBondContact CE1-OG1 2.82Å; H52-T254 WeakPolarHBondContact NE2-CB 3.43Å; H52-T254 PolarHBondContact NE2-OG1 3.29Å; C244-T254 CarbonylContact C-O 3.59Å; C244-T254 VanDerWaalsContact CA-O 3.32Å; C244-T254 WeakPolarHBondContact CA-O 3.44Å; I245-T254 HydrophobicContact CD1-CG2 3.9Å; I245-T254 HydrophobicContact CG1-CG2 3.38Å; I245-T254 PolarHBondContact N-O 3.48Å; I245-T254 PolarHBondContact O-N 2.77Å
255	A	92.8	Very high	90.4	Very high	0 Å²	0	56.6 Å²	56.6	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	136.8	170.9	0	0	0	0	0	111.5	L222 C225 K265	L222-A255 WeakPolarHBondContact O-CB 3.47Å; C225-A255 HydrophobicContact CB-CB 4.41Å; A255-K265 PolarHBondContact O-NZ 3.35Å
256	S	91.7	Very high	90.3	Very high	3 Å²	3	57.8 Å²	57.8	2%	0.021	28%	0.276	C	S	.	.			trans	-129.9	49.9	176.8	-172.5	0	0	0	0	110.4	L243 H262	L243-S256 PolarHBondContact O-N 3.46Å; S256-H262 WeakPolarHBondContact OG-CA 3.26Å; S256-H262 PolarHBondContact OG-ND1 3.3Å
257	N	85.3	Confident	90.1	Very high	63 Å²	63	59.8 Å²	59.8	34%	0.337	29%	0.29	S	S	.	.			trans	-77.7	-27.9	-174.2	-58.4	-24.8	0	0	0	112.4	T242 L243 K259	T242-N257 VanDerWaalsContact CA-OD1 3.24Å; T242-N257 WeakPolarHBondContact CA-OD1 3.12Å; L243-N257 PolarHBondContact N-OD1 3.12Å; L243-N257 PolarHBondContact O-OD1 3.37Å; N257-K259 PolarHBondContact O-N 3.08Å
258	D	86.5	Confident	89.9	Confident	25 Å²	25	60.1 Å²	60.1	13%	0.134	29%	0.294	C	S	.	.			trans	-77.2	120.2	174.4	-165.5	-26.2	0	0	0	111	K166 E220 D260 N261 H262	K166-D258 IonicContact NZ-OD2 3.35Å; K166-D258 PolarHBondContact NZ-OD2 3.16Å; E220-D258 HydrophobicContact CG-CB 4.43Å; E220-D258 WeakPolarHBondContact OE1-CB 3.11Å; E220-D258 WeakPolarHBondContact OE2-CB 3.49Å; D258-D260 VanDerWaalsContact C-N 3.3Å; D258-D260 PolarHBondContact O-N 3.44Å; D258-D260 WeakPolarHBondContact OD1-CB 3.44Å; D258-D260 PolarHBondContact OD1-N 3.46Å; D258-N261 HydrophobicContact CB-CB 4.32Å; D258-N261 PolarHBondContact O-N 2.78Å; D258-H262 WeakPolarHBondContact O-CB 3.35Å; D258-H262 PolarHBondContact O-N 3.44Å
259	K	86.8	Confident	89.9	Confident	189 Å²	189	54.1 Å²	54.1	82%	0.822	27%	0.267	S	S	*	.	H	α-helix	trans	-66.8	-32.7	179.5	-66.5	-179.9	-178.5	173.4	0	112	N257 N261 H262	N257-K259 PolarHBondContact O-N 3.08Å; K259-N261 VanDerWaalsContact C-N 3.27Å; K259-N261 PolarHBondContact O-N 2.97Å; K259-H262 PolarHBondContact O-N 2.92Å
260	D	87.2	Confident	89.7	Confident	134 Å²	134	52.1 Å²	52.1	72%	0.717	26%	0.26	S	S	*	.	H	α-helix	trans	-72.2	-27.5	-176.7	-63.1	-22	0	0	0	111.2	D258	D258-D260 VanDerWaalsContact C-N 3.3Å; D258-D260 PolarHBondContact O-N 3.44Å; D258-D260 WeakPolarHBondContact OD1-CB 3.44Å; D258-D260 PolarHBondContact OD1-N 3.46Å
261	N	88.9	Confident	88.7	Confident	0 Å²	0	55.8 Å²	55.8	0%	0	28%	0.282	C	S	.	.	H	α-helix	trans	-104.2	-3.8	-179.5	-61.8	-30.1	0	0	0	113.1	L59 R61 E218 E220 D258 K259 F264 K265	L59-N261 HydrophobicContact CD2-CB 3.93Å; R61-N261 PolarHBondContact NH1-OD1 2.56Å; R61-N261 PolarHBondContact NH2-OD1 2.94Å; E218-N261 PolarHBondContact OE1-ND2 3.28Å; E220-N261 PolarHBondContact OE1-ND2 2.89Å; E220-N261 VanDerWaalsContact OE1-ND2 3.11Å; D258-N261 HydrophobicContact CB-CB 4.32Å; D258-N261 PolarHBondContact O-N 2.78Å; K259-N261 VanDerWaalsContact C-N 3.27Å; K259-N261 PolarHBondContact O-N 2.97Å; N261-F264 WeakPolarHBondContact O-CB 3.33Å; N261-F264 PolarHBondContact O-N 3.22Å; N261-K265 WeakPolarHBondContact O-CG 3.4Å; N261-K265 PolarHBondContact O-N 2.9Å
262	H	88.9	Confident	86.7	Confident	58 Å²	58	57.9 Å²	57.9	27%	0.269	29%	0.288	S	S	.	.	H	α-helix	trans	-59.7	-54.1	-172.7	176.2	54.8	0	0	0	113.3	L243 S256 D258 K259 F264 K265 I266	L243-H262 WeakPolarHBondContact CD2-CE1 3.3Å; S256-H262 WeakPolarHBondContact OG-CA 3.26Å; S256-H262 PolarHBondContact OG-ND1 3.3Å; D258-H262 WeakPolarHBondContact O-CB 3.35Å; D258-H262 PolarHBondContact O-N 3.44Å; K259-H262 PolarHBondContact O-N 2.92Å; H262-F264 VanDerWaalsContact C-N 3.29Å; H262-F264 PolarHBondContact O-N 3.42Å; H262-K265 PolarHBondContact O-N 2.97Å; H262-I266 WeakPolarHBondContact CE1-CD1 3.33Å; H262-I266 VanDerWaalsContact NE2-CD1 3.32Å; H262-I266 WeakPolarHBondContact NE2-CD1 3.35Å; H262-I266 WeakPolarHBondContact O-CG1 3.48Å; H262-I266 PolarHBondContact O-N 3.27Å
263	E	89.9	Confident	84	Confident	140 Å²	140	61.6 Å²	61.6	65%	0.654	32%	0.316	S	S	*	.	H	α-helix	trans	-63.4	-38.7	179.7	-176	178.7	175.9	0	0	111.2	K265 I266 N267	E263-K265 PolarHBondContact O-N 3.07Å; E263-I266 PolarHBondContact O-N 2.96Å; E263-N267 WeakPolarHBondContact O-CB 3.24Å; E263-N267 PolarHBondContact O-N 3.43Å; E263-N267 PolarHBondContact O-ND2 3.17Å
264	F	89.7	Confident	81.3	Confident	50 Å²	50	66.6 Å²	66.6	22%	0.219	35%	0.351	C	S	.	.	H	α-helix	trans	-59.9	-46.7	176.3	-178.9	-84.7	0	0	0	111.6	F43 Y48 L59 N261 H262 N267 G268	F43-F264 HydrophobicContact CE2-CD1 4.43Å; F43-F264 AromaticContact CE2-CE1 3.54Å; F43-F264 HydrophobicContact CE2-CE1 3.54Å; F43-F264 HydrophobicContact CE2-CZ 4.01Å; F43-F264 HydrophobicContact CZ-CD1 4.24Å; F43-F264 AromaticContact CZ-CE1 3.74Å; F43-F264 HydrophobicContact CZ-CE1 3.74Å; Y48-F264 AromaticContact CD1-CE2 3.85Å; Y48-F264 HydrophobicContact CD1-CE2 3.85Å; Y48-F264 AromaticContact CD1-CZ 3.79Å; Y48-F264 HydrophobicContact CD1-CZ 3.79Å; Y48-F264 HydrophobicContact CD2-CE1 4.48Å; Y48-F264 HydrophobicContact CD2-CE2 4.47Å; Y48-F264 AromaticContact CD2-CZ 3.64Å; Y48-F264 HydrophobicContact CD2-CZ 3.64Å; Y48-F264 HydrophobicContact CE1-CE2 4.04Å; Y48-F264 HydrophobicContact CE1-CZ 4.14Å; Y48-F264 HydrophobicContact CE2-CZ 4.06Å; Y48-F264 HydrophobicContact CG-CE2 4.07Å; Y48-F264 AromaticContact CG-CZ 3.52Å; Y48-F264 HydrophobicContact CG-CZ 3.52Å; L59-F264 HydrophobicContact CD1-CD1 3.83Å; L59-F264 HydrophobicContact CD1-CE1 3.21Å; L59-F264 HydrophobicContact CD1-CZ 3.87Å; L59-F264 HydrophobicContact CD2-CD1 4.01Å; L59-F264 HydrophobicContact CD2-CE1 4.24Å; L59-F264 HydrophobicContact CG-CE1 4.37Å; N261-F264 WeakPolarHBondContact O-CB 3.33Å; N261-F264 PolarHBondContact O-N 3.22Å; H262-F264 VanDerWaalsContact C-N 3.29Å; H262-F264 PolarHBondContact O-N 3.42Å; F264-N267 PolarHBondContact O-N 3.4Å; F264-G268 PolarHBondContact O-N 3.42Å
265	K	91.5	Very high	78.2	Confident	0 Å²	0	71.2 Å²	71.2	0%	0	38%	0.383	C	S	.	.	H	α-helix	trans	-64.3	-43	177.7	-72.8	177.4	175.3	-173.8	0	111.7	Y50 E220 I245 A255 N261 H262 E263 C269	Y50-K265 HydrophobicContact CE2-CD 4.37Å; Y50-K265 HydrophobicContact CE2-CG 4.35Å; E220-K265 IonicContact OE1-NZ 3.84Å; E220-K265 PolarHBondContact OE1-NZ 3.29Å; E220-K265 IonicContact OE2-NZ 3.95Å; E220-K265 PolarHBondContact OE2-NZ 3.31Å; I245-K265 HydrophobicContact CD1-CB 3.73Å; A255-K265 PolarHBondContact O-NZ 3.35Å; N261-K265 WeakPolarHBondContact O-CG 3.4Å; N261-K265 PolarHBondContact O-N 2.9Å; H262-K265 PolarHBondContact O-N 2.97Å; E263-K265 PolarHBondContact O-N 3.07Å; K265-C269 VanDerWaalsContact O-CB 3.28Å; K265-C269 WeakPolarHBondContact O-CB 3.31Å; K265-C269 PolarHBondContact O-N 3.33Å; K265-C269 PolarHBondContact O-SG 3.37Å; K265-C269 VanDerWaalsContact O-SG 3.32Å
266	I	90.7	Very high	75.4	Confident	44 Å²	44	78 Å²	78	23%	0.226	42%	0.418	C	S	.	.	H	α-helix	trans	-57.2	-55	174.4	-72.4	173.3	0	0	0	110.1	I245 H262 E263 G268 C269 Q270	I245-I266 HydrophobicContact CD1-CG1 4.23Å; I245-I266 HydrophobicContact CG2-CG1 4.46Å; H262-I266 WeakPolarHBondContact CE1-CD1 3.33Å; H262-I266 VanDerWaalsContact NE2-CD1 3.32Å; H262-I266 WeakPolarHBondContact NE2-CD1 3.35Å; H262-I266 WeakPolarHBondContact O-CG1 3.48Å; H262-I266 PolarHBondContact O-N 3.27Å; E263-I266 PolarHBondContact O-N 2.96Å; I266-G268 VanDerWaalsContact C-N 3.33Å; I266-G268 PolarHBondContact O-N 3.03Å; I266-C269 PolarHBondContact O-N 2.87Å; I266-C269 VanDerWaalsContact O-N 3.15Å; I266-Q270 HydrophobicContact CG2-CG 4.27Å; I266-Q270 WeakPolarHBondContact O-CB 3.18Å; I266-Q270 WeakPolarHBondContact O-CG 3.11Å; I266-Q270 PolarHBondContact O-N 3.42Å
267	N	90	Very high	72.8	Confident	83 Å²	83	83.6 Å²	83.6	44%	0.444	45%	0.451	S	S	.	.	H	α-helix	trans	-60.4	-43.8	-176	-70.1	-17.9	0	0	0	111.4	E263 F264 C269 Q270 V271	E263-N267 WeakPolarHBondContact O-CB 3.24Å; E263-N267 PolarHBondContact O-N 3.43Å; E263-N267 PolarHBondContact O-ND2 3.17Å; F264-N267 PolarHBondContact O-N 3.4Å; N267-C269 VanDerWaalsContact C-N 3.34Å; N267-C269 PolarHBondContact O-N 3.48Å; N267-Q270 PolarHBondContact O-N 3.21Å; N267-V271 WeakPolarHBondContact O-CG2 3.37Å; N267-V271 PolarHBondContact O-N 2.83Å
268	G	89.5	Confident	70.3	Confident	9 Å²	9	87.6 Å²	87.6	9%	0.093	47%	0.473	C	S	.	.	H	α-helix	trans	-64	-36.3	177.4	0	0	0	0	0	113.5	F43 F264 I266	F43-G268 WeakPolarHBondContact CD1-O 3.38Å; F264-G268 PolarHBondContact O-N 3.42Å; I266-G268 VanDerWaalsContact C-N 3.33Å; I266-G268 PolarHBondContact O-N 3.03Å
269	C	89.6	Confident	67.8	Low	12 Å²	12	90.8 Å²	90.8	8%	0.081	50%	0.503	C	S	.	.	H	α-helix	trans	-76.9	-22	176.9	-73.4	0	0	0	0	113.6	C247 K265 I266 N267	C247-C269 HydrophobicContact CB-CB 3.66Å; C247-C269 WeakPolarHBondContact CB-SG 3.34Å; C247-C269 WeakPolarHBondContact SG-CB 3.43Å; C247-C269 CovalentContact SG-SG 2.03Å; C247-C269 PolarHBondContact SG-SG 3Å; K265-C269 VanDerWaalsContact O-CB 3.28Å; K265-C269 WeakPolarHBondContact O-CB 3.31Å; K265-C269 PolarHBondContact O-N 3.33Å; K265-C269 PolarHBondContact O-SG 3.37Å; K265-C269 VanDerWaalsContact O-SG 3.32Å; I266-C269 PolarHBondContact O-N 2.87Å; I266-C269 VanDerWaalsContact O-N 3.15Å; N267-C269 VanDerWaalsContact C-N 3.34Å; N267-C269 PolarHBondContact O-N 3.48Å
270	Q	84.8	Confident	65.3	Low	133 Å²	133	86.7 Å²	86.7	62%	0.621	50%	0.498	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.5	2.4	178.1	-71.8	-178.2	-5.7	0	0	114.5	I266 N267 E272	I266-Q270 HydrophobicContact CG2-CG 4.27Å; I266-Q270 WeakPolarHBondContact O-CB 3.18Å; I266-Q270 WeakPolarHBondContact O-CG 3.11Å; I266-Q270 PolarHBondContact O-N 3.42Å; N267-Q270 PolarHBondContact O-N 3.21Å; Q270-E272 PolarHBondContact O-N 3.14Å
271	V	67.2	Low	63.3	Low	91 Å²	91	88.1 Å²	88.1	55%	0.552	50%	0.504	S	S	*	.			trans	-64	86.9	-179.3	-174.3	0	0	0	0	110.3	N267	N267-V271 WeakPolarHBondContact O-CG2 3.37Å; N267-V271 PolarHBondContact O-N 2.83Å
272	E	51.2	Low	60.8	Low	160 Å²	160	95.9 Å²	95.9	75%	0.748	54%	0.54	S	S	*	.			trans	-65.7	141.3	166.6	-75.6	-171.4	162.3	0	0	108.7	Q270 S274	Q270-E272 PolarHBondContact O-N 3.14Å; E272-S274 PolarHBondContact O-N 3.32Å
273	S	34.9	Very low	58.2	Low	98 Å²	98	99.2 Å²	99.2	69%	0.685	57%	0.567	S	S	*	*			trans	-23.8	103.4	161.8	157.6	0	0	0	0	112.5	S275	S273-S275 PolarHBondContact O-N 2.99Å
274	S	36.1	Very low	55.7	Low	106 Å²	106	98.2 Å²	98.2	74%	0.741	57%	0.571	S	S	*	*	S	Bend	trans	-56.9	115.2	162.1	17.2	0	0	0	0	108.3	E272	E272-S274 PolarHBondContact O-N 3.32Å
275	S	30	Very low	53.1	Low	98 Å²	98	103.1 Å²	103.1	69%	0.685	60%	0.599	S	S	*	*			trans	59.1	90.8	162.8	60.5	0	0	0	0	118.3	S273	S273-S275 PolarHBondContact O-N 2.99Å
276	I	33.5	Very low	50.7	Low	143 Å²	143	110.9 Å²	110.9	73%	0.733	64%	0.638	S	S	*	*				-113.5	81.7	125.8	-56.4	177.5	0	0	0	106	D278	I276-D278 PolarHBondContact O-N 3.41Å
277	V	36.7	Very low	48.1	Very low	119 Å²	119	115 Å²	115	72%	0.721	66%	0.661	S	S	*	*			trans	-67.3	113	149.3	174.8	0	0	0	0	103.7	A279	V277-A279 HydrophobicContact CG1-CB 4.17Å; V277-A279 PolarHBondContact O-N 2.89Å
278	D	33.3	Very low	45.6	Very low	147 Å²	147	118.3 Å²	118.3	79%	0.786	67%	0.674	S	S	*	*			trans	-58.5	81.2	159.5	-91.1	-37.6	0	0	0	108.2	I276 S280	I276-D278 PolarHBondContact O-N 3.41Å; D278-S280 PolarHBondContact O-N 3.32Å
279	A	33.5	Very low	42.9	Very low	93 Å²	93	127 Å²	127	77%	0.769	70%	0.703	S	S	*	*			trans	-93.4	64.1	163.9	0	0	0	0	0	107.4	V277	V277-A279 HydrophobicContact CG1-CB 4.17Å; V277-A279 PolarHBondContact O-N 2.89Å
280	S	35.1	Very low	40.5	Very low	103 Å²	103	133.5 Å²	133.5	72%	0.72	73%	0.733	S	S	*	*			trans	-116	65.5	165.1	178.5	0	0	0	0	109	D278	D278-S280 PolarHBondContact O-N 3.32Å
281	I	43.7	Very low	37.9	Very low	164 Å²	164	132.6 Å²	132.6	84%	0.841	74%	0.737	S	S	*	*			trans	-133.1	93.7	151.9	-55.8	-178.1	0	0	0	107.4
282	E	37.3	Very low	36.4	Very low	163 Å²	163	135.1 Å²	135.1	76%	0.762	75%	0.746	S	S	*	*			trans	-12.9	122.8	157.4	-165.2	172.5	-154.9	0	0	116.5	T284	E282-T284 PolarHBondContact O-N 3.47Å
283	P	35.1	Very low	35.4	Very low	128 Å²	128	134 Å²	134	83%	0.831	75%	0.75	S	S	*	*			trans	-87	101.7	169.2	31.7	-27	0	0	0	109.8	L285	P283-L285 PolarHBondContact O-N 3.49Å
284	T	36.8	Very low	35.3	Very low	118 Å²	118	132.5 Å²	132.5	72%	0.724	75%	0.749	S	S	*	*			trans	-82.8	114.7	166.9	-51.4	0	0	0	0	109.9	E282	E282-T284 PolarHBondContact O-N 3.47Å
285	L	35.1	Very low	35.3	Very low	154 Å²	154	135.2 Å²	135.2	81%	0.806	75%	0.754	S	S	*	*			trans	-76.4	106.7	178.8	-126.3	161.9	0	0	0	110.7	P283	P283-L285 PolarHBondContact O-N 3.49Å
286	I	40.4	Very low	35.6	Very low	163 Å²	163	136.8 Å²	136.8	84%	0.836	76%	0.76	S	S	*	*			trans	-143.4	126.8	152.3	-60.6	-173.4	0	0	0	110.7
287	N	36.1	Very low	35.6	Very low	130 Å²	130	138.5 Å²	138.5	70%	0.695	76%	0.764	S	S	*	*			trans	-68.1	153.8	-178.6	-102.7	-41.3	0	0	0	114.8
288	Q	37.3	Very low	35.8	Very low	153 Å²	153	137.9 Å²	137.9	72%	0.715	76%	0.763	S	S	*	*			trans	79.2	110.4	141.3	-83.3	-176.6	-35.2	0	0	120.9
289	R	34.4	Very low	35.8	Very low	190 Å²	190	137.3 Å²	137.3	72%	0.717	76%	0.76	S	S	*	*				104.4	129.4	99.8	-171.7	171.5	-168	163.7	8.4	118
290	E	37.3	Very low	35.9	Very low	149 Å²	149	141.1 Å²	141.1	70%	0.696	77%	0.766	S	S	*	*			trans	76.8	145.6	159.6	-77.9	159.7	-157.4	0	0	118.4
291	T	30.6	Very low	35.8	Very low	115 Å²	115	141.7 Å²	141.7	71%	0.706	77%	0.766	S	S	*	*			cis	-177	157.2	-28.1	-62.6	0	0	0	0	103.2
292	I	35.7	Very low	35.7	Very low	144 Å²	144	141.8 Å²	141.8	74%	0.738	77%	0.768	S	S	*	*			trans	102.4	97.8	150.4	-53	-173.4	0	0	0	117.6
293	T	30.4	Very low	35.6	Very low	136 Å²	136	137.4 Å²	137.4	83%	0.834	77%	0.766	S	S	*	*			trans	36.5	133.5	135.9	59.8	0	0	0	0	122.5
294	G	32.6	Very low	35.6	Very low	66 Å²	66	140.1 Å²	140.1	68%	0.68	77%	0.773	S	S	*	*				143.7	106.6	126.9	0	0	0	0	0	118.8
295	I	36.8	Very low	35.5	Very low	163 Å²	163	139.2 Å²	139.2	84%	0.836	77%	0.772	S	S	*	*			trans	69.4	131.7	136	-26.1	-176	0	0	0	120.7
296	T	36.4	Very low	35.5	Very low	131 Å²	131	140.4 Å²	140.4	80%	0.804	77%	0.77	S	S	*	*			trans	97.6	109.2	142	3.1	0	0	0	0	120.4
297	E	34	Very low	35.2	Very low	179 Å²	179	139.5 Å²	139.5	84%	0.836	77%	0.773	S	S	*	*			trans	-54.5	173.3	143.7	-112.5	-174.1	149.7	0	0	111.5
298	P	39.2	Very low	35	Very low	107 Å²	107	138 Å²	138	70%	0.695	77%	0.768	S	S	*	*			cis	-144.3	178.7	22.3	39.1	-16.6	0	0	0	117.2
299	D	33.2	Very low	35.1	Very low	135 Å²	135	139 Å²	139	72%	0.722	77%	0.773	S	S	*	*			trans	44.7	127.3	146.7	-105.5	-34	0	0	0	123.1
300	L	36.7	Very low	34.9	Very low	172 Å²	172	136.3 Å²	136.3	90%	0.901	78%	0.778	S	S	*	*			trans	-143.8	103.6	147.8	-139	97.5	0	0	0	111.1
301	T	32.9	Very low	34.9	Very low	116 Å²	116	134 Å²	134	71%	0.712	78%	0.784	S	S	*	*			trans	-96.5	133.3	166.6	-1.3	0	0	0	0	109.8
302	N	41	Very low	35	Very low	166 Å²	166	137.5 Å²	137.5	89%	0.888	79%	0.792	S	S	*	*			trans	-171.6	133.7	159.9	-101	-16.5	0	0	0	106.7
303	G	36.1	Very low	35.1	Very low	70 Å²	70	135.1 Å²	135.1	72%	0.722	79%	0.788	S	S	*	*			cis	170.3	167.1	1.9	0	0	0	0	0	109.4
304	L	34.5	Very low	35.5	Very low	186 Å²	186	137.2 Å²	137.2	97%	0.974	79%	0.788	S	S	*	*			trans	97.3	122.4	159.9	-130	78.1	0	0	0	119.6
305	S	34.9	Very low	35.6	Very low	99 Å²	99	138.1 Å²	138.1	69%	0.692	78%	0.784	S	S	*	*			trans	-131.2	162.7	-174.1	61.5	0	0	0	0	109.5
306	K	35.9	Very low	35.6	Very low	178 Å²	178	137.6 Å²	137.6	77%	0.774	78%	0.783	S	S	*	*			trans	68.5	130.2	154	-84.8	176.6	172.9	174.9	0	120
307	T	33.7	Very low	35.6	Very low	145 Å²	145	140.5 Å²	140.5	89%	0.89	79%	0.785	S	S	*	*				-152.7	145.4	120.1	-69.2	0	0	0	0	109.8
308	T	32.2	Very low	35.7	Very low	99 Å²	99	137.3 Å²	137.3	61%	0.607	78%	0.778	S	S	*	*			trans	-120.9	169.2	-169.2	-50.1	0	0	0	0	109.1
309	Q	37.8	Very low	35.4	Very low	172 Å²	172	138.8 Å²	138.8	80%	0.804	79%	0.785	S	S	*	*			trans	97.8	113.8	155.7	-55.3	-179.3	6	0	0	116.6
310	T	31	Very low	35.4	Very low	135 Å²	135	135.7 Å²	135.7	83%	0.828	79%	0.785	S	S	*	*				82.8	119	71.2	-50.7	0	0	0	0	113.2
311	A	36.8	Very low	35.4	Very low	99 Å²	99	132.9 Å²	132.9	82%	0.818	78%	0.775	S	S	*	*			trans	-172.9	120.4	143.1	0	0	0	0	0	112.3
312	E	33.3	Very low	35.7	Very low	190 Å²	190	134.3 Å²	134.3	89%	0.888	78%	0.784	S	S	*	*			trans	-70.9	160.2	161.3	-65.6	169.5	132.9	0	0	111.1
313	S	37.4	Very low	35.8	Very low	93 Å²	93	134.7 Å²	134.7	65%	0.65	78%	0.78	S	S	*	*				166.9	144.7	112.5	82.2	0	0	0	0	115.6
314	H	38.3	Very low	36.3	Very low	180 Å²	180	137 Å²	137	83%	0.833	78%	0.776	S	S	*	*			trans	62.8	153.1	145.1	-58.9	-46.8	0	0	0	121.7
315	S	36	Very low	36.6	Very low	86 Å²	86	137.7 Å²	137.7	60%	0.601	77%	0.766	S	S	*	*			cis	175	139.2	-22.7	-176.1	0	0	0	0	107.4
316	N	35.9	Very low	37.2	Very low	152 Å²	152	141.2 Å²	141.2	81%	0.813	77%	0.771	S	S	*	*			trans	57.2	131.9	150.2	-69.4	-16.5	0	0	0	123.4
317	K	36.7	Very low	37.4	Very low	191 Å²	191	139.2 Å²	139.2	83%	0.83	77%	0.765	S	S	*	*				166.1	109.3	102.4	-165.5	171.9	-174.6	173.8	0	114.8
318	T	35.3	Very low	37.8	Very low	112 Å²	112	141.8 Å²	141.8	69%	0.687	76%	0.758	S	S	*	*				48.3	135.9	127.6	-26.9	0	0	0	0	125
319	T	32.9	Very low	38.5	Very low	139 Å²	139	143.2 Å²	143.2	85%	0.853	76%	0.758	S	S	*	*			trans	97.3	127.9	132.5	19.7	0	0	0	0	122.8
320	G	34	Very low	39	Very low	70 Å²	70	139 Å²	139	72%	0.722	75%	0.747	S	S	*	*			trans	108.7	132.2	164.4	0	0	0	0	0	113.1
321	T	37.8	Very low	40	Very low	113 Å²	113	139.8 Å²	139.8	69%	0.693	74%	0.739	S	S	*	*			cis	-168.2	134.4	19.1	-53.9	0	0	0	0	108	E323	T321-E323 PolarHBondContact O-N 2.93Å
322	T	38.3	Very low	40.9	Very low	146 Å²	146	138.4 Å²	138.4	90%	0.896	72%	0.724	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.9	32.1	-169.1	-45.1	0	0	0	0	114.1
323	E	44.1	Very low	42.1	Very low	174 Å²	174	132.5 Å²	132.5	81%	0.813	70%	0.703	S	S	*	*	T	Hydrogen-bonded Turn	trans	-110.3	-0.4	-176.7	-81.1	-177.3	146.5	0	0	115.2	T321	T321-E323 PolarHBondContact O-N 2.93Å
324	N	45.2	Very low	43.4	Very low	119 Å²	119	133.2 Å²	133.2	64%	0.636	70%	0.699	S	S	*	*	S	Bend	trans	-98.6	5	-174.4	-96.8	-38	0	0	0	115.7	R328	N324-R328 WeakPolarHBondContact O-CB 3.45Å
325	R	41.6	Very low	44.8	Very low	199 Å²	199	134.1 Å²	134.1	75%	0.751	70%	0.697	S	S	*	*	H	α-helix	trans	-79.8	-36.2	-167.8	-155.8	171	-178.2	157.8	0.2	113.6	E329	R325-E329 PolarHBondContact O-N 3.43Å
326	E	46.5	Very low	46.6	Very low	173 Å²	173	135 Å²	135	81%	0.808	69%	0.694	S	S	*	*	H	α-helix	trans	-77	-36.1	-178.2	-71.3	-175.3	155.3	0	0	113.4	R328 E329 S330	E326-R328 VanDerWaalsContact C-N 3.28Å; E326-R328 PolarHBondContact O-N 2.83Å; E326-E329 PolarHBondContact O-N 2.9Å; E326-S330 PolarHBondContact O-N 2.96Å
327	Q	40.9	Very low	48.4	Very low	136 Å²	136	132.5 Å²	132.5	64%	0.636	68%	0.679	S	S	*	*	H	α-helix	trans	-71.8	-24.3	176.6	-162.9	171.7	-2.7	0	0	112.6	K331	Q327-K331 PolarHBondContact O-N 3.32Å
328	R	42.2	Very low	50.3	Low	200 Å²	200	127.8 Å²	127.8	76%	0.755	66%	0.662	S	S	*	*	H	α-helix	trans	-76.6	-30.6	176.6	-155.1	173.6	-165	173.4	3.8	112.4	N324 E326 S332	N324-R328 WeakPolarHBondContact O-CB 3.45Å; E326-R328 VanDerWaalsContact C-N 3.28Å; E326-R328 PolarHBondContact O-N 2.83Å; R328-S332 VanDerWaalsContact O-CB 3.29Å; R328-S332 WeakPolarHBondContact O-CB 3.2Å; R328-S332 PolarHBondContact O-N 3.46Å; R328-S332 VanDerWaalsContact O-N 3.08Å
329	E	46.6	Very low	52.4	Low	129 Å²	129	125.7 Å²	125.7	60%	0.603	65%	0.65	S	S	*	*	H	α-helix	trans	-73	-34.1	176.3	-71.7	-168.2	175.9	0	0	112.8	R325 E326 S333	R325-E329 PolarHBondContact O-N 3.43Å; E326-E329 PolarHBondContact O-N 2.9Å; E329-S333 PolarHBondContact O-N 2.98Å; E329-S333 PolarHBondContact O-OG 3.44Å; E329-S333 VanDerWaalsContact O-OG 3.04Å
330	S	49.1	Very low	54.6	Low	83 Å²	83	122.6 Å²	122.6	58%	0.58	63%	0.628	S	S	*	*	H	α-helix	trans	-64.8	-48	172.9	168.6	0	0	0	0	112.5	E326 S332 S333 L334	E326-S330 PolarHBondContact O-N 2.96Å; S330-S332 PolarHBondContact O-N 3.39Å; S330-S333 PolarHBondContact O-N 2.89Å; S330-L334 PolarHBondContact O-N 3.27Å
331	K	51	Low	56.8	Low	151 Å²	151	122.5 Å²	122.5	66%	0.657	61%	0.613	S	S	*	*	H	α-helix	trans	-67.6	-32.7	177.6	-88.2	-177.4	174.6	179.4	0	113.3	Q327 L334 Y335	Q327-K331 PolarHBondContact O-N 3.32Å; K331-L334 PolarHBondContact O-N 2.94Å; K331-Y335 PolarHBondContact O-N 3.1Å
332	S	55.7	Low	58.9	Low	71 Å²	71	121 Å²	121	50%	0.497	60%	0.604	S	S	.	*	H	α-helix	trans	-64.5	-39.5	177.3	-173.3	0	0	0	0	112.1	R328 S330 L334 Y335	R328-S332 VanDerWaalsContact O-CB 3.29Å; R328-S332 WeakPolarHBondContact O-CB 3.2Å; R328-S332 PolarHBondContact O-N 3.46Å; R328-S332 VanDerWaalsContact O-N 3.08Å; S330-S332 PolarHBondContact O-N 3.39Å; S332-L334 PolarHBondContact O-N 3.46Å; S332-Y335 PolarHBondContact O-N 3.23Å
333	S	58.3	Low	61.1	Low	65 Å²	65	117.4 Å²	117.4	46%	0.455	58%	0.582	S	S	.	*	H	α-helix	trans	-67.6	-36.5	179.2	-57.1	0	0	0	0	112.3	E329 S330 Y335 I336 I337	E329-S333 PolarHBondContact O-N 2.98Å; E329-S333 PolarHBondContact O-OG 3.44Å; E329-S333 VanDerWaalsContact O-OG 3.04Å; S330-S333 PolarHBondContact O-N 2.89Å; S333-Y335 VanDerWaalsContact C-N 3.32Å; S333-Y335 PolarHBondContact O-N 3.48Å; S333-I336 PolarHBondContact O-N 3.48Å; S333-I337 VanDerWaalsContact O-CG1 3.3Å; S333-I337 WeakPolarHBondContact O-CG1 3.36Å; S333-I337 PolarHBondContact O-N 3.01Å
334	L	64	Low	62.9	Low	108 Å²	108	115.4 Å²	115.4	57%	0.565	57%	0.57	S	S	*	*	H	α-helix	trans	-64.4	-36.2	179.1	-148.2	97.5	0	0	0	112.3	S330 K331 S332 I336 I337 I338	S330-L334 PolarHBondContact O-N 3.27Å; K331-L334 PolarHBondContact O-N 2.94Å; S332-L334 PolarHBondContact O-N 3.46Å; L334-I336 VanDerWaalsContact C-N 3.25Å; L334-I336 PolarHBondContact O-N 3.43Å; L334-I337 PolarHBondContact O-N 3.27Å; L334-I338 HydrophobicContact CD2-CD1 3.79Å; L334-I338 HydrophobicContact CG-CD1 4.02Å; L334-I338 WeakPolarHBondContact O-CG1 3.45Å; L334-I338 PolarHBondContact O-N 3.47Å
335	Y	69.4	Low	64.8	Low	199 Å²	199	115.5 Å²	115.5	78%	0.78	57%	0.565	S	S	*	*	H	α-helix	trans	-69.5	-20.8	-179.3	-127.4	-87.6	0	0	0	113.5	K331 S332 S333 P339	K331-Y335 PolarHBondContact O-N 3.1Å; S332-Y335 PolarHBondContact O-N 3.23Å; S333-Y335 VanDerWaalsContact C-N 3.32Å; S333-Y335 PolarHBondContact O-N 3.48Å; Y335-P339 WeakPolarHBondContact O-CD 3.31Å; Y335-P339 VanDerWaalsContact O-CG 3.25Å; Y335-P339 WeakPolarHBondContact O-CG 3.49Å
336	I	72.2	Confident	66.9	Low	105 Å²	105	110.5 Å²	110.5	54%	0.538	56%	0.557	S	S	.	*	H	α-helix	trans	-92.6	-37.9	177.7	-60.9	172.7	0	0	0	110.8	S333 L334 P339 L340	S333-I336 PolarHBondContact O-N 3.48Å; L334-I336 VanDerWaalsContact C-N 3.25Å; L334-I336 PolarHBondContact O-N 3.43Å; I336-P339 WeakPolarHBondContact O-CD 3.34Å; I336-L340 HydrophobicContact CG2-CD1 4.06Å; I336-L340 WeakPolarHBondContact O-CG 3.37Å
337	I	74.1	Confident	68.8	Low	99 Å²	99	104.6 Å²	104.6	51%	0.508	53%	0.533	S	S	.	.	H	α-helix	trans	-69.5	-41.3	-177.3	-65.4	166.3	0	0	0	111.2	S333 L334 L340 V341	S333-I337 VanDerWaalsContact O-CG1 3.3Å; S333-I337 WeakPolarHBondContact O-CG1 3.36Å; S333-I337 PolarHBondContact O-N 3.01Å; L334-I337 PolarHBondContact O-N 3.27Å; I337-L340 PolarHBondContact O-N 2.93Å; I337-V341 HydrophobicContact CG2-CG2 4.06Å; I337-V341 VanDerWaalsContact O-CG2 3.3Å; I337-V341 WeakPolarHBondContact O-CG2 3.48Å; I337-V341 PolarHBondContact O-N 3.02Å
338	I	76.4	Confident	70.8	Confident	93 Å²	93	100.6 Å²	100.6	48%	0.477	52%	0.519	S	S	.	.	H	α-helix	trans	-61.2	-51.2	-176.2	-66.3	166.3	0	0	0	111.9	L334 L340 V341 V342	L334-I338 HydrophobicContact CD2-CD1 3.79Å; L334-I338 HydrophobicContact CG-CD1 4.02Å; L334-I338 WeakPolarHBondContact O-CG1 3.45Å; L334-I338 PolarHBondContact O-N 3.47Å; I338-L340 VanDerWaalsContact C-N 3.31Å; I338-L340 PolarHBondContact O-N 3.46Å; I338-V341 PolarHBondContact O-N 3.03Å; I338-V342 HydrophobicContact CG2-CG2 4.44Å; I338-V342 WeakPolarHBondContact O-CG2 3.26Å; I338-V342 PolarHBondContact O-N 3.3Å
339	P	81	Confident	73	Confident	67 Å²	67	95.9 Å²	95.9	44%	0.435	51%	0.508	S	S	.	.	H	α-helix	trans	-59.9	-39	177	-24.3	34.1	0	0	0	113.1	Y335 I336 V341 V342 V343	Y335-P339 WeakPolarHBondContact O-CD 3.31Å; Y335-P339 VanDerWaalsContact O-CG 3.25Å; Y335-P339 WeakPolarHBondContact O-CG 3.49Å; I336-P339 WeakPolarHBondContact O-CD 3.34Å; P339-V341 PolarHBondContact O-N 3.32Å; P339-V342 PolarHBondContact O-N 3.31Å; P339-V343 WeakPolarHBondContact O-CB 3.48Å; P339-V343 VanDerWaalsContact O-CG2 3.26Å; P339-V343 WeakPolarHBondContact O-CG2 3.39Å; P339-V343 PolarHBondContact O-N 3.26Å
340	L	77.9	Confident	74.8	Confident	75 Å²	75	91.5 Å²	91.5	39%	0.393	50%	0.498	S	S	.	.	H	α-helix	trans	-63.5	-41.4	178.6	-76.1	172.2	0	0	0	112.3	I336 I337 I338 F344	I336-L340 HydrophobicContact CG2-CD1 4.06Å; I336-L340 WeakPolarHBondContact O-CG 3.37Å; I337-L340 PolarHBondContact O-N 2.93Å; I338-L340 VanDerWaalsContact C-N 3.31Å; I338-L340 PolarHBondContact O-N 3.46Å; L340-F344 WeakPolarHBondContact O-CB 3.32Å; L340-F344 PolarHBondContact O-N 2.87Å
341	V	80.3	Confident	76.5	Confident	67 Å²	67	92.5 Å²	92.5	41%	0.406	50%	0.496	S	S	.	.	H	α-helix	trans	-66.5	-43	176.8	173.8	0	0	0	0	110.5	I337 I338 P339 F344 F345	I337-V341 HydrophobicContact CG2-CG2 4.06Å; I337-V341 VanDerWaalsContact O-CG2 3.3Å; I337-V341 WeakPolarHBondContact O-CG2 3.48Å; I337-V341 PolarHBondContact O-N 3.02Å; I338-V341 PolarHBondContact O-N 3.03Å; P339-V341 PolarHBondContact O-N 3.32Å; V341-F344 PolarHBondContact O-N 3.35Å; V341-F345 HydrophobicContact CG1-CD2 3.68Å; V341-F345 HydrophobicContact CG1-CE2 3.45Å; V341-F345 VanDerWaalsContact CG1-CE2 3.45Å; V341-F345 WeakPolarHBondContact O-CD2 3.15Å; V341-F345 PolarHBondContact O-N 3.12Å
342	V	82.8	Confident	77.9	Confident	82 Å²	82	88.2 Å²	88.2	50%	0.497	49%	0.488	S	S	.	.	H	α-helix	trans	-61.3	-46.9	176.6	174.6	0	0	0	0	111.1	I338 P339 F344 F345 V346	I338-V342 HydrophobicContact CG2-CG2 4.44Å; I338-V342 WeakPolarHBondContact O-CG2 3.26Å; I338-V342 PolarHBondContact O-N 3.3Å; P339-V342 PolarHBondContact O-N 3.31Å; V342-F344 VanDerWaalsContact C-N 3.33Å; V342-F344 PolarHBondContact O-N 3.01Å; V342-F345 PolarHBondContact O-N 3.47Å; V342-V346 HydrophobicContact CG1-CG2 4.46Å; V342-V346 WeakPolarHBondContact O-CG2 3.42Å; V342-V346 PolarHBondContact O-N 3Å
343	V	83.5	Confident	79.3	Confident	70 Å²	70	89.2 Å²	89.2	42%	0.424	49%	0.487	S	S	.	.	H	α-helix	trans	-60.7	-42.7	177.1	171.5	0	0	0	0	111	P339 F345 V346 V347	P339-V343 WeakPolarHBondContact O-CB 3.48Å; P339-V343 VanDerWaalsContact O-CG2 3.26Å; P339-V343 WeakPolarHBondContact O-CG2 3.39Å; P339-V343 PolarHBondContact O-N 3.26Å; V343-F345 PolarHBondContact O-N 3.01Å; V343-V346 PolarHBondContact O-N 3.47Å; V343-V347 HydrophobicContact CG1-CG2 4.4Å; V343-V347 WeakPolarHBondContact O-CG2 3.5Å; V343-V347 PolarHBondContact O-N 2.96Å
344	F	81.9	Confident	80.4	Confident	132 Å²	132	90 Å²	90	58%	0.579	49%	0.492	S	S	*	.	H	α-helix	trans	-59.2	-46.1	176.7	-179	-98.8	0	0	0	112	L340 V341 V342 V347 C348	L340-F344 WeakPolarHBondContact O-CB 3.32Å; L340-F344 PolarHBondContact O-N 2.87Å; V341-F344 PolarHBondContact O-N 3.35Å; V342-F344 VanDerWaalsContact C-N 3.33Å; V342-F344 PolarHBondContact O-N 3.01Å; F344-V347 PolarHBondContact O-N 3.21Å; F344-C348 WeakPolarHBondContact O-CB 3.1Å; F344-C348 PolarHBondContact O-N 3.38Å; F344-C348 PolarHBondContact O-SG 3.29Å
345	F	84.5	Confident	81.1	Confident	121 Å²	121	90.3 Å²	90.3	53%	0.531	49%	0.493	S	S	.	.	H	α-helix	trans	-65	-41.3	177.4	-79.9	-68	0	0	0	112.8	V341 V342 V343 V347 C348 I349	V341-F345 HydrophobicContact CG1-CD2 3.68Å; V341-F345 HydrophobicContact CG1-CE2 3.45Å; V341-F345 VanDerWaalsContact CG1-CE2 3.45Å; V341-F345 WeakPolarHBondContact O-CD2 3.15Å; V341-F345 PolarHBondContact O-N 3.12Å; V342-F345 PolarHBondContact O-N 3.47Å; V343-F345 PolarHBondContact O-N 3.01Å; F345-V347 VanDerWaalsContact C-N 3.34Å; F345-V347 PolarHBondContact O-N 3.48Å; F345-C348 PolarHBondContact O-N 3.4Å; F345-I349 WeakPolarHBondContact O-CB 3.29Å; F345-I349 WeakPolarHBondContact O-CD1 3.34Å; F345-I349 WeakPolarHBondContact O-CG1 3.23Å; F345-I349 PolarHBondContact O-N 3.21Å
346	V	87.5	Confident	81.6	Confident	94 Å²	94	88.1 Å²	88.1	57%	0.57	48%	0.484	S	S	*	.	H	α-helix	trans	-61.7	-42.9	177	173	0	0	0	0	111	V342 V343 I349 G350	V342-V346 HydrophobicContact CG1-CG2 4.46Å; V342-V346 WeakPolarHBondContact O-CG2 3.42Å; V342-V346 PolarHBondContact O-N 3Å; V343-V346 PolarHBondContact O-N 3.47Å; V346-I349 PolarHBondContact O-N 3.47Å; V346-G350 PolarHBondContact O-N 3.5Å
347	V	85	Confident	81.9	Confident	50 Å²	50	87.2 Å²	87.2	30%	0.303	48%	0.48	S	S	.	.	H	α-helix	trans	-65.4	-44.4	176.3	173.5	0	0	0	0	111.3	V343 F344 F345 I349 G350 L351	V343-V347 HydrophobicContact CG1-CG2 4.4Å; V343-V347 WeakPolarHBondContact O-CG2 3.5Å; V343-V347 PolarHBondContact O-N 2.96Å; F344-V347 PolarHBondContact O-N 3.21Å; F345-V347 VanDerWaalsContact C-N 3.34Å; F345-V347 PolarHBondContact O-N 3.48Å; V347-I349 VanDerWaalsContact C-N 3.34Å; V347-I349 PolarHBondContact O-N 3.35Å; V347-G350 PolarHBondContact O-N 2.94Å; V347-L351 HydrophobicContact CG1-CD1 4.03Å; V347-L351 HydrophobicContact CG1-CG 4.4Å; V347-L351 WeakPolarHBondContact O-CB 3.2Å; V347-L351 WeakPolarHBondContact O-CG 3.25Å; V347-L351 PolarHBondContact O-N 3.45Å
348	C	84.1	Confident	82	Confident	51 Å²	51	90.9 Å²	90.9	35%	0.345	49%	0.488	S	S	.	.	H	α-helix	trans	-61.8	-40.5	176.9	-73	0	0	0	0	112.5	F344 F345 A352	F344-C348 WeakPolarHBondContact O-CB 3.1Å; F344-C348 PolarHBondContact O-N 3.38Å; F344-C348 PolarHBondContact O-SG 3.29Å; F345-C348 PolarHBondContact O-N 3.4Å; C348-A352 WeakPolarHBondContact O-CB 3.39Å; C348-A352 PolarHBondContact O-N 3.1Å
349	I	88.6	Confident	81.9	Confident	101 Å²	101	97.2 Å²	97.2	52%	0.518	51%	0.506	S	S	.	.	H	α-helix	trans	-65.6	-46.1	176.1	-67.8	164.3	0	0	0	110	F345 V346 V347 L351 A352 I353	F345-I349 WeakPolarHBondContact O-CB 3.29Å; F345-I349 WeakPolarHBondContact O-CD1 3.34Å; F345-I349 WeakPolarHBondContact O-CG1 3.23Å; F345-I349 PolarHBondContact O-N 3.21Å; V346-I349 PolarHBondContact O-N 3.47Å; V347-I349 VanDerWaalsContact C-N 3.34Å; V347-I349 PolarHBondContact O-N 3.35Å; I349-L351 PolarHBondContact O-N 3.31Å; I349-A352 PolarHBondContact O-N 3.17Å; I349-I353 HydrophobicContact CG2-CD1 3.74Å; I349-I353 HydrophobicContact CG2-CG1 4.41Å; I349-I353 VanDerWaalsContact O-CG1 3.3Å; I349-I353 WeakPolarHBondContact O-CG1 3.48Å; I349-I353 PolarHBondContact O-N 3.42Å
350	G	84.5	Confident	81.3	Confident	38 Å²	38	103 Å²	103	39%	0.392	52%	0.519	S	S	.	.	H	α-helix	trans	-58.6	-43.7	176.3	0	0	0	0	0	112.9	V346 V347 I353 C354	V346-G350 PolarHBondContact O-N 3.5Å; V347-G350 PolarHBondContact O-N 2.94Å; G350-I353 PolarHBondContact O-N 3.41Å; G350-C354 VanDerWaalsContact O-CB 3.3Å; G350-C354 WeakPolarHBondContact O-CB 3.3Å; G350-C354 PolarHBondContact O-N 3.42Å
351	L	84.6	Confident	79.9	Confident	104 Å²	104	108.6 Å²	108.6	55%	0.545	54%	0.544	S	S	.	.	H	α-helix	trans	-65.6	-40.5	175.7	-72.2	173.1	0	0	0	112.5	V347 I349 C354 L355	V347-L351 HydrophobicContact CG1-CD1 4.03Å; V347-L351 HydrophobicContact CG1-CG 4.4Å; V347-L351 WeakPolarHBondContact O-CB 3.2Å; V347-L351 WeakPolarHBondContact O-CG 3.25Å; V347-L351 PolarHBondContact O-N 3.45Å; I349-L351 PolarHBondContact O-N 3.31Å; L351-C354 PolarHBondContact O-N 3.27Å; L351-L355 WeakPolarHBondContact O-CB 3.42Å; L351-L355 WeakPolarHBondContact O-CG 3.37Å; L351-L355 PolarHBondContact O-N 3.08Å
352	A	80.6	Confident	79.9	Confident	60 Å²	60	110.7 Å²	110.7	50%	0.496	55%	0.551	S	S	.	*	H	α-helix	trans	-64.8	-41	177.3	0	0	0	0	0	111.9	C348 I349 W356	C348-A352 WeakPolarHBondContact O-CB 3.39Å; C348-A352 PolarHBondContact O-N 3.1Å; I349-A352 PolarHBondContact O-N 3.17Å; A352-W356 VanDerWaalsContact O-CB 3.32Å; A352-W356 WeakPolarHBondContact O-CB 3.29Å; A352-W356 PolarHBondContact O-N 3.45Å
353	I	84.6	Confident	79.8	Confident	93 Å²	93	112.2 Å²	112.2	48%	0.477	55%	0.553	S	S	.	*	H	α-helix	trans	-64	-46.5	174.8	-66.6	167	0	0	0	110.1	I349 G350 L355 W356 L357	I349-I353 HydrophobicContact CG2-CD1 3.74Å; I349-I353 HydrophobicContact CG2-CG1 4.41Å; I349-I353 VanDerWaalsContact O-CG1 3.3Å; I349-I353 WeakPolarHBondContact O-CG1 3.48Å; I349-I353 PolarHBondContact O-N 3.42Å; G350-I353 PolarHBondContact O-N 3.41Å; I353-L355 PolarHBondContact O-N 3.44Å; I353-W356 WeakPolarHBondContact O-CB 3.04Å; I353-W356 PolarHBondContact O-N 3.48Å; I353-W356 VanDerWaalsContact O-N 3.13Å; I353-L357 HydrophobicContact CG2-CD1 4.07Å; I353-L357 HydrophobicContact CG2-CG 4.45Å; I353-L357 WeakPolarHBondContact O-CG 3.41Å; I353-L357 PolarHBondContact O-N 3.45Å
354	C	80.9	Confident	79.6	Confident	82 Å²	82	114.6 Å²	114.6	55%	0.554	56%	0.561	S	S	*	*	H	α-helix	trans	-60.5	-44.8	179.1	-156	0	0	0	0	112	G350 L351 W356 L357 Y358	G350-C354 VanDerWaalsContact O-CB 3.3Å; G350-C354 WeakPolarHBondContact O-CB 3.3Å; G350-C354 PolarHBondContact O-N 3.42Å; L351-C354 PolarHBondContact O-N 3.27Å; C354-W356 VanDerWaalsContact C-N 3.31Å; C354-W356 PolarHBondContact O-N 3.42Å; C354-L357 PolarHBondContact O-N 3.04Å; C354-Y358 WeakPolarHBondContact O-CB 3.3Å; C354-Y358 PolarHBondContact O-N 3.43Å
355	L	78.9	Confident	79.4	Confident	114 Å²	114	113.5 Å²	113.5	60%	0.597	56%	0.559	S	S	*	*	H	α-helix	trans	-65.2	-32.9	174.7	-75.1	171.7	0	0	0	113.2	L351 I353 R359	L351-L355 WeakPolarHBondContact O-CB 3.42Å; L351-L355 WeakPolarHBondContact O-CG 3.37Å; L351-L355 PolarHBondContact O-N 3.08Å; I353-L355 PolarHBondContact O-N 3.44Å; L355-R359 PolarHBondContact O-N 3.47Å
356	W	80.4	Confident	79.1	Confident	152 Å²	152	113.1 Å²	113.1	58%	0.576	56%	0.561	S	S	*	*	H	α-helix	trans	-71.6	-40.1	177.2	-174.6	79.8	0	0	0	111.8	A352 I353 C354 R359	A352-W356 VanDerWaalsContact O-CB 3.32Å; A352-W356 WeakPolarHBondContact O-CB 3.29Å; A352-W356 PolarHBondContact O-N 3.45Å; I353-W356 WeakPolarHBondContact O-CB 3.04Å; I353-W356 PolarHBondContact O-N 3.48Å; I353-W356 VanDerWaalsContact O-N 3.13Å; C354-W356 VanDerWaalsContact C-N 3.31Å; C354-W356 PolarHBondContact O-N 3.42Å; W356-R359 PolarHBondContact O-N 3.48Å
357	L	78.8	Confident	78.5	Confident	86 Å²	86	114.3 Å²	114.3	45%	0.45	56%	0.561	S	S	.	*	H	α-helix	trans	-65.9	-44.8	174	-68	173.9	0	0	0	111.5	I353 C354 R359 R360 E361	I353-L357 HydrophobicContact CG2-CD1 4.07Å; I353-L357 HydrophobicContact CG2-CG 4.45Å; I353-L357 WeakPolarHBondContact O-CG 3.41Å; I353-L357 PolarHBondContact O-N 3.45Å; C354-L357 PolarHBondContact O-N 3.04Å; L357-R359 PolarHBondContact O-N 3.4Å; L357-R360 PolarHBondContact O-N 3.4Å; L357-E361 PolarHBondContact O-N 3.31Å
358	Y	76.2	Confident	78.1	Confident	177 Å²	177	118.9 Å²	118.9	69%	0.694	58%	0.579	S	S	*	*	H	α-helix	trans	-62.5	-25.4	178.1	-174.2	-99.5	0	0	0	114	C354 R360	C354-Y358 WeakPolarHBondContact O-CB 3.3Å; C354-Y358 PolarHBondContact O-N 3.43Å; Y358-R360 VanDerWaalsContact C-N 3.34Å
359	R	73.4	Confident	77.6	Confident	225 Å²	225	124.2 Å²	124.2	85%	0.849	60%	0.597	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.4	-7.9	175.3	-86.6	-173.9	173.1	178.7	-0.3	113.9	L355 W356 L357	L355-R359 PolarHBondContact O-N 3.47Å; W356-R359 PolarHBondContact O-N 3.48Å; L357-R359 PolarHBondContact O-N 3.4Å
360	R	69.3	Low	76.7	Confident	188 Å²	188	126.1 Å²	126.1	71%	0.709	60%	0.604	S	S	*	*	T	Hydrogen-bonded Turn	trans	-101.8	-24.3	-175.2	-159.5	174.8	-175.9	-172.9	-2.4	112.7	L357 Y358	L357-R360 PolarHBondContact O-N 3.4Å; Y358-R360 VanDerWaalsContact C-N 3.34Å
361	E	48.4	Very low	76	Confident	194 Å²	194	134.1 Å²	134.1	91%	0.907	62%	0.623	S	S	*	*			trans	-73	0	154.9	-66.8	-179.1	160.2	0	0	110.1	R197 L357	R197-E361 IonicContact NH2-OE1 3.4Å; L357-E361 PolarHBondContact O-N 3.31Å

Retrieved 361 of 361 residues in 93.8 ms (Link to these results)

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