A0A087Y2A6_POEFO Loading...

Serpin peptidase inhibitor, clade A (alpha-1 antiproteinase, antitrypsin), member 1

AlphaFold DB , UniProt , Accession A0A087Y2A6, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 403 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure 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	S	57.4	Low	51.3	Low	167 Å²	167	116.5 Å²	116.5	100%	1.168	67%	0.671	S	S	*	*				0	-22	0	-152.1	0	0	0	0	113.2
2	E	50.8	Low	52.1	Low	175 Å²	175	116 Å²	116	82%	0.818	66%	0.663	S	S	*	*			trans	-86.9	-16	-173	-72	173.3	146.3	0	0	115.9	H4	E2-H4 PolarHBondContact O-N 2.73Å
3	M	43.4	Very low	53.2	Low	146 Å²	146	110.7 Å²	110.7	72%	0.719	64%	0.642	S	S	*	*	H	α-helix	trans	-80.4	-15.5	-173.6	-146.2	167.1	73.1	0	0	114.3
4	H	47.6	Very low	54	Low	168 Å²	168	107.1 Å²	107.1	78%	0.778	63%	0.632	S	S	*	*	H	α-helix	trans	-83.1	-22.1	177.9	-82.3	64.8	0	0	0	113.3	E2	E2-H4 PolarHBondContact O-N 2.73Å
5	G	47.1	Very low	54.7	Low	50 Å²	50	107.9 Å²	107.9	52%	0.515	63%	0.631	S	S	.	*	H	α-helix	trans	-75.5	-31.3	-179.9	0	0	0	0	0	113.8	S9	G5-S9 PolarHBondContact O-N 3.23Å
6	I	50.2	Low	55	Low	116 Å²	116	108.1 Å²	108.1	60%	0.595	63%	0.629	S	S	*	*	H	α-helix	trans	-75.7	-40.6	-176.1	-59.2	176.2	0	0	0	111.1	A8 S9 C10	I6-A8 PolarHBondContact O-N 2.74Å; I6-S9 PolarHBondContact O-N 3.19Å; I6-C10 PolarHBondContact O-N 3.22Å; I6-C10 VanDerWaalsContact O-N 3.09Å
7	F	46.9	Very low	55.2	Low	153 Å²	153	108.9 Å²	108.9	67%	0.671	63%	0.629	S	S	*	*	H	α-helix	trans	-66.2	-37.4	176.8	-87.3	-83	0	0	0	112.8	S9 T11	F7-S9 VanDerWaalsContact C-N 3.34Å; F7-T11 WeakPolarHBondContact O-CG2 3.45Å; F7-T11 PolarHBondContact O-N 2.97Å; F7-T11 VanDerWaalsContact O-N 3.15Å; F7-T11 PolarHBondContact O-OG1 3.39Å; F7-T11 VanDerWaalsContact O-OG1 3.09Å
8	A	52.9	Low	55.3	Low	56 Å²	56	106.1 Å²	106.1	46%	0.463	62%	0.621	S	S	.	*	H	α-helix	trans	-67.8	-33.1	175.8	0	0	0	0	0	112.6	I6 T11 L12	I6-A8 PolarHBondContact O-N 2.74Å; A8-T11 PolarHBondContact O-OG1 2.71Å; A8-T11 VanDerWaalsContact O-OG1 3.08Å; A8-L12 WeakPolarHBondContact O-CB 3.32Å; A8-L12 PolarHBondContact O-N 3.42Å
9	S	54.7	Low	55.4	Low	79 Å²	79	104.4 Å²	104.4	55%	0.552	61%	0.612	S	S	*	*	H	α-helix	trans	-71.8	-40.8	176.7	-179	0	0	0	0	112.2	G5 I6 F7 L12 A13	G5-S9 PolarHBondContact O-N 3.23Å; I6-S9 PolarHBondContact O-N 3.19Å; F7-S9 VanDerWaalsContact C-N 3.34Å; S9-L12 PolarHBondContact O-N 3.4Å; S9-A13 WeakPolarHBondContact O-CB 3.08Å; S9-A13 PolarHBondContact O-N 3.47Å
10	C	55.6	Low	55.1	Low	82 Å²	82	101.7 Å²	101.7	55%	0.554	60%	0.602	S	S	*	*	H	α-helix	trans	-67.7	-37.4	177.1	-77.1	0	0	0	0	113	I6 A14	I6-C10 PolarHBondContact O-N 3.22Å; I6-C10 VanDerWaalsContact O-N 3.09Å; C10-A14 WeakPolarHBondContact O-CB 3.47Å; C10-A14 PolarHBondContact O-N 3.08Å
11	T	57.8	Low	54.5	Low	89 Å²	89	105.6 Å²	105.6	55%	0.546	61%	0.606	S	S	.	*	H	α-helix	trans	-70.1	-37.7	176.2	50.3	0	0	0	0	111.9	F7 A8 A14 L15	F7-T11 WeakPolarHBondContact O-CG2 3.45Å; F7-T11 PolarHBondContact O-N 2.97Å; F7-T11 VanDerWaalsContact O-N 3.15Å; F7-T11 PolarHBondContact O-OG1 3.39Å; F7-T11 VanDerWaalsContact O-OG1 3.09Å; A8-T11 PolarHBondContact O-OG1 2.71Å; A8-T11 VanDerWaalsContact O-OG1 3.08Å; T11-A14 PolarHBondContact O-N 3.08Å; T11-L15 WeakPolarHBondContact O-CB 3.46Å; T11-L15 PolarHBondContact O-N 3.41Å
12	L	61	Low	53.9	Low	111 Å²	111	99.9 Å²	99.9	58%	0.581	57%	0.569	S	S	*	*	H	α-helix	trans	-66.3	-40.7	175.2	-153.4	82.5	0	0	0	111.9	A8 S9 L15 L16	A8-L12 WeakPolarHBondContact O-CB 3.32Å; A8-L12 PolarHBondContact O-N 3.42Å; S9-L12 PolarHBondContact O-N 3.4Å; L12-L15 PolarHBondContact O-N 3.37Å; L12-L16 HydrophobicContact CG-CD1 4.44Å; L12-L16 WeakPolarHBondContact O-CB 3.5Å; L12-L16 WeakPolarHBondContact O-CG 3.42Å; L12-L16 PolarHBondContact O-N 3.15Å
13	A	66.1	Low	53.4	Low	47 Å²	47	95.9 Å²	95.9	39%	0.388	55%	0.553	S	S	.	*	H	α-helix	trans	-65.6	-40.7	175.5	0	0	0	0	0	112.1	S9 L16 L17	S9-A13 WeakPolarHBondContact O-CB 3.08Å; S9-A13 PolarHBondContact O-N 3.47Å; A13-L16 PolarHBondContact O-N 3.31Å; A13-L17 WeakPolarHBondContact O-CB 3.38Å; A13-L17 WeakPolarHBondContact O-CD1 3.42Å; A13-L17 PolarHBondContact O-N 2.96Å
14	A	64.9	Low	53.1	Low	61 Å²	61	95.2 Å²	95.2	50%	0.504	55%	0.548	S	S	.	.	H	α-helix	trans	-66.3	-37.5	174.8	0	0	0	0	0	112.2	C10 T11 A18	C10-A14 WeakPolarHBondContact O-CB 3.47Å; C10-A14 PolarHBondContact O-N 3.08Å; T11-A14 PolarHBondContact O-N 3.08Å; A14-A18 VanDerWaalsContact O-CB 3.28Å; A14-A18 WeakPolarHBondContact O-CB 3.17Å; A14-A18 PolarHBondContact O-N 3.1Å
15	L	64.1	Low	52.5	Low	118 Å²	118	93.9 Å²	93.9	62%	0.618	54%	0.542	S	S	*	.	H	α-helix	trans	-66.8	-43.3	174.6	-138.7	93.7	0	0	0	111.3	T11 L12 A18 V19	T11-L15 WeakPolarHBondContact O-CB 3.46Å; T11-L15 PolarHBondContact O-N 3.41Å; L12-L15 PolarHBondContact O-N 3.37Å; L15-A18 PolarHBondContact O-N 3.12Å; L15-V19 WeakPolarHBondContact O-CB 3.25Å; L15-V19 VanDerWaalsContact O-CG2 3.23Å; L15-V19 WeakPolarHBondContact O-CG2 3.4Å; L15-V19 PolarHBondContact O-N 2.61Å
16	L	59.8	Low	52	Low	112 Å²	112	97.9 Å²	97.9	59%	0.586	55%	0.551	S	S	*	*	H	α-helix	trans	-65.8	-37	176.7	-76.7	164.5	0	0	0	112.1	L12 A13 A20	L12-L16 HydrophobicContact CG-CD1 4.44Å; L12-L16 WeakPolarHBondContact O-CB 3.5Å; L12-L16 WeakPolarHBondContact O-CG 3.42Å; L12-L16 PolarHBondContact O-N 3.15Å; A13-L16 PolarHBondContact O-N 3.31Å; L16-A20 WeakPolarHBondContact O-CB 3.23Å; L16-A20 PolarHBondContact O-N 3.34Å
17	L	58.4	Low	51.2	Low	121 Å²	121	100 Å²	100	63%	0.634	56%	0.558	S	S	*	*	H	α-helix	trans	-70.1	-33.9	172.9	-85.8	154.4	0	0	0	112.5	A13 R21	A13-L17 WeakPolarHBondContact O-CB 3.38Å; A13-L17 WeakPolarHBondContact O-CD1 3.42Å; A13-L17 PolarHBondContact O-N 2.96Å; L17-R21 VanDerWaalsContact O-CB 3.25Å; L17-R21 WeakPolarHBondContact O-CB 3.2Å; L17-R21 PolarHBondContact O-N 3.26Å
18	A	57.5	Low	50.6	Low	58 Å²	58	100 Å²	100	48%	0.479	56%	0.56	S	S	.	*	H	α-helix	trans	-73	-38.8	174.9	0	0	0	0	0	112	A14 L15 R21 A22	A14-A18 VanDerWaalsContact O-CB 3.28Å; A14-A18 WeakPolarHBondContact O-CB 3.17Å; A14-A18 PolarHBondContact O-N 3.1Å; L15-A18 PolarHBondContact O-N 3.12Å; A18-R21 PolarHBondContact O-N 3.41Å; A18-A22 VanDerWaalsContact O-CB 3.25Å; A18-A22 WeakPolarHBondContact O-CB 3.44Å; A18-A22 PolarHBondContact O-N 3.34Å
19	V	57.3	Low	50.4	Low	74 Å²	74	105.8 Å²	105.8	45%	0.448	58%	0.577	S	S	.	*	H	α-helix	trans	-68.8	-43.8	172.8	173.2	0	0	0	0	110.2	L15 R21 A22 D23	L15-V19 WeakPolarHBondContact O-CB 3.25Å; L15-V19 VanDerWaalsContact O-CG2 3.23Å; L15-V19 WeakPolarHBondContact O-CG2 3.4Å; L15-V19 PolarHBondContact O-N 2.61Å; V19-R21 VanDerWaalsContact C-N 3.32Å; V19-R21 PolarHBondContact O-N 2.98Å; V19-A22 CarbonylContact O-C 3.55Å; V19-A22 PolarHBondContact O-N 3.48Å; V19-A22 VanDerWaalsContact O-N 3.14Å; V19-D23 WeakPolarHBondContact O-CB 3.32Å; V19-D23 PolarHBondContact O-N 2.82Å
20	A	49.6	Very low	50.8	Low	51 Å²	51	104.8 Å²	104.8	42%	0.421	58%	0.579	S	S	.	*	H	α-helix	trans	-64.5	-35.6	174.3	0	0	0	0	0	112.1	L16 H24	L16-A20 WeakPolarHBondContact O-CB 3.23Å; L16-A20 PolarHBondContact O-N 3.34Å; A20-H24 VanDerWaalsContact O-CB 3.26Å; A20-H24 WeakPolarHBondContact O-CB 3.22Å; A20-H24 PolarHBondContact O-N 3.05Å
21	R	41.8	Very low	52.1	Low	183 Å²	183	104.2 Å²	104.2	69%	0.691	57%	0.569	S	S	*	*	H	α-helix	trans	-70.3	-37	170.3	-96.2	-178.3	167.6	168.7	-3.4	112.5	L17 A18 V19 H24 H25	L17-R21 VanDerWaalsContact O-CB 3.25Å; L17-R21 WeakPolarHBondContact O-CB 3.2Å; L17-R21 PolarHBondContact O-N 3.26Å; A18-R21 PolarHBondContact O-N 3.41Å; V19-R21 VanDerWaalsContact C-N 3.32Å; V19-R21 PolarHBondContact O-N 2.98Å; R21-H24 PolarHBondContact O-N 3.17Å; R21-H25 VanDerWaalsContact O-CB 3.23Å; R21-H25 WeakPolarHBondContact O-CB 3.36Å; R21-H25 PolarHBondContact O-CD2 2.8Å; R21-H25 PolarHBondContact O-N 3.16Å
22	A	44	Very low	53.7	Low	48 Å²	48	104.9 Å²	104.9	40%	0.397	57%	0.565	S	S	.	*	H	α-helix	trans	-66.8	-41.6	175.6	0	0	0	0	0	110.8	A18 V19 H25 L26	A18-A22 VanDerWaalsContact O-CB 3.25Å; A18-A22 WeakPolarHBondContact O-CB 3.44Å; A18-A22 PolarHBondContact O-N 3.34Å; V19-A22 CarbonylContact O-C 3.55Å; V19-A22 PolarHBondContact O-N 3.48Å; V19-A22 VanDerWaalsContact O-N 3.14Å; A22-H25 PolarHBondContact O-N 2.75Å; A22-L26 VanDerWaalsContact O-CB 3.31Å; A22-L26 WeakPolarHBondContact O-CB 3.48Å; A22-L26 WeakPolarHBondContact O-CD1 3.42Å; A22-L26 WeakPolarHBondContact O-CG 3.33Å; A22-L26 PolarHBondContact O-N 3.42Å
23	D	41.3	Very low	55.2	Low	90 Å²	90	99.6 Å²	99.6	48%	0.481	54%	0.537	S	S	.	.	H	α-helix	trans	-66.2	-38.8	171.2	-79	-22.3	0	0	0	111.4	V19 H25 L26 H27	V19-D23 WeakPolarHBondContact O-CB 3.32Å; V19-D23 PolarHBondContact O-N 2.82Å; D23-H25 VanDerWaalsContact C-N 3.35Å; D23-L26 PolarHBondContact O-N 3.27Å; D23-H27 WeakPolarHBondContact O-CB 3.23Å; D23-H27 PolarHBondContact O-CD2 3.12Å; D23-H27 PolarHBondContact O-N 2.69Å
24	H	37.1	Very low	56.5	Low	132 Å²	132	99 Å²	99	61%	0.611	53%	0.526	S	S	*	.	H	α-helix	trans	-69.5	-30.6	174	-121.2	-49.2	0	0	0	113.2	A20 R21	A20-H24 VanDerWaalsContact O-CB 3.26Å; A20-H24 WeakPolarHBondContact O-CB 3.22Å; A20-H24 PolarHBondContact O-N 3.05Å; R21-H24 PolarHBondContact O-N 3.17Å
25	H	34.8	Very low	58	Low	141 Å²	141	98.2 Å²	98.2	65%	0.653	52%	0.515	S	S	*	.	H	α-helix	trans	-78.9	-33	175	-85.5	-66.5	0	0	0	111.9	R21 A22 D23 H27 H28	R21-H25 VanDerWaalsContact O-CB 3.23Å; R21-H25 WeakPolarHBondContact O-CB 3.36Å; R21-H25 PolarHBondContact O-CD2 2.8Å; R21-H25 PolarHBondContact O-N 3.16Å; A22-H25 PolarHBondContact O-N 2.75Å; D23-H25 VanDerWaalsContact C-N 3.35Å; H25-H27 VanDerWaalsContact C-N 3.27Å; H25-H27 PolarHBondContact O-N 3.31Å; H25-H28 PolarHBondContact O-N 3.43Å
26	L	35.5	Very low	59.5	Low	133 Å²	133	92.6 Å²	92.6	70%	0.696	49%	0.486	S	S	*	.	H	α-helix	trans	-69	-24.9	171.6	-84.7	154.9	0	0	0	112.5	A22 D23	A22-L26 VanDerWaalsContact O-CB 3.31Å; A22-L26 WeakPolarHBondContact O-CB 3.48Å; A22-L26 WeakPolarHBondContact O-CD1 3.42Å; A22-L26 WeakPolarHBondContact O-CG 3.33Å; A22-L26 PolarHBondContact O-N 3.42Å; D23-L26 PolarHBondContact O-N 3.27Å
27	H	35.1	Very low	61.3	Low	161 Å²	161	88.1 Å²	88.1	75%	0.745	46%	0.464	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.7	1.4	177.4	-90.7	-64.5	0	0	0	115.5	D23 H25	D23-H27 WeakPolarHBondContact O-CB 3.23Å; D23-H27 PolarHBondContact O-CD2 3.12Å; D23-H27 PolarHBondContact O-N 2.69Å; H25-H27 VanDerWaalsContact C-N 3.27Å; H25-H27 PolarHBondContact O-N 3.31Å
28	H	34.6	Very low	63	Low	153 Å²	153	84.8 Å²	84.8	71%	0.708	45%	0.451	S	S	*	.	S	Bend	trans	-115.7	-2	-176.9	-104.7	-57.8	0	0	0	116.6	H25	H25-H28 PolarHBondContact O-N 3.43Å
29	E	47.3	Very low	64.9	Low	177 Å²	177	82.9 Å²	82.9	83%	0.827	43%	0.434	S	S	*	.	S	Bend	trans	-92.5	97.1	159.4	-78.6	-170.5	162.8	0	0	108.5
30	G	64.4	Low	66.9	Low	58 Å²	58	79.9 Å²	79.9	60%	0.598	42%	0.415	S	S	*	.			trans	-54	152.1	171.1	0	0	0	0	0	111.1	K32	G30-K32 PolarHBondContact O-N 3.03Å
31	M	82.1	Confident	69.2	Low	70 Å²	70	78 Å²	78	35%	0.345	40%	0.4	S	S	.	.			trans	-49.6	137.8	178.9	-73.4	-171.7	-117.8	0	0	110.7	C33 H34 S387	M31-C33 PolarHBondContact O-N 2.74Å; M31-C33 VanDerWaalsContact O-N 3.1Å; M31-H34 VanDerWaalsContact O-CB 3.27Å; M31-H34 WeakPolarHBondContact O-CB 3.5Å; M31-H34 PolarHBondContact O-N 3.08Å; M31-S387 WeakPolarHBondContact CE-O 3.27Å
32	K	90.5	Very high	71.8	Confident	104 Å²	104	72.8 Å²	72.8	45%	0.452	39%	0.386	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.4	-37.1	-176	-63.3	-178.4	176.7	-176.4	0	112.8	G30 H34 V35 E103 A104 H107	G30-K32 PolarHBondContact O-N 3.03Å; K32-H34 VanDerWaalsContact C-N 3.26Å; K32-H34 PolarHBondContact O-N 3.33Å; K32-V35 VanDerWaalsContact O-CG2 3.29Å; K32-V35 WeakPolarHBondContact O-CG2 3.23Å; K32-E103 HydrophobicContact CD-CG 3.82Å; K32-E103 WeakPolarHBondContact CD-OE1 3.31Å; K32-E103 WeakPolarHBondContact CE-OE1 3.38Å; K32-E103 IonicContact NZ-OE1 3.59Å; K32-E103 PolarHBondContact NZ-OE1 3.03Å; K32-A104 WeakPolarHBondContact O-CB 3.24Å; K32-H107 HydrophobicContact CB-CB 4.05Å
33	C	92.5	Very high	74.4	Confident	0 Å²	0	70.7 Å²	70.7	0%	0	37%	0.367	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.8	-19.2	176.6	62	0	0	0	0	114.5	M31 V35 I36 A104 H107 L108	M31-C33 PolarHBondContact O-N 2.74Å; M31-C33 VanDerWaalsContact O-N 3.1Å; C33-V35 PolarHBondContact O-N 3.31Å; C33-I36 WeakPolarHBondContact O-CG1 3.37Å; C33-I36 PolarHBondContact O-N 3Å; C33-A104 WeakPolarHBondContact CB-O 3.19Å; C33-H107 HydrophobicContact CB-CB 4.41Å; C33-H107 PolarHBondContact N-ND1 2.55Å; C33-H107 PolarHBondContact SG-ND1 2.79Å; C33-L108 HydrophobicContact CB-CB 3.74Å; C33-L108 HydrophobicContact CB-CD1 4.47Å; C33-L108 HydrophobicContact CB-CG 4.5Å
34	H	94.7	Very high	77	Confident	33 Å²	33	66.5 Å²	66.5	15%	0.153	35%	0.345	C	S	.	.	H	α-helix	trans	-66.8	-23	-179.4	-70.1	178.6	0	0	0	112.8	M31 K32 I36 S37 S387	M31-H34 VanDerWaalsContact O-CB 3.27Å; M31-H34 WeakPolarHBondContact O-CB 3.5Å; M31-H34 PolarHBondContact O-N 3.08Å; K32-H34 VanDerWaalsContact C-N 3.26Å; K32-H34 PolarHBondContact O-N 3.33Å; H34-I36 PolarHBondContact O-N 2.87Å; H34-S37 WeakPolarHBondContact O-CB 3.22Å; H34-S37 PolarHBondContact O-N 2.93Å; H34-S37 PolarHBondContact O-OG 2.68Å; H34-S387 PolarHBondContact NE2-O 3.17Å
35	V	95.6	Very high	79.9	Confident	46 Å²	46	60.5 Å²	60.5	28%	0.279	32%	0.317	S	S	.	.	H	α-helix	trans	-64	-27.9	179	-49.3	0	0	0	0	112.6	K32 C33 A104	K32-V35 VanDerWaalsContact O-CG2 3.29Å; K32-V35 WeakPolarHBondContact O-CG2 3.23Å; C33-V35 PolarHBondContact O-N 3.31Å; V35-A104 HydrophobicContact CG2-CB 3.77Å
36	I	96.5	Very high	82.9	Confident	0 Å²	0	55.8 Å²	55.8	0%	0	30%	0.303	C	S	.	.	H	α-helix	trans	-97	-9.7	177.3	59.5	172.2	0	0	0	113.2	C33 H34 S38 P39 N40 Y93 L96 V101 A104 Y105 L108	C33-I36 WeakPolarHBondContact O-CG1 3.37Å; C33-I36 PolarHBondContact O-N 3Å; H34-I36 PolarHBondContact O-N 2.87Å; I36-S38 PolarHBondContact O-N 3.21Å; I36-P39 WeakPolarHBondContact O-CD 3.31Å; I36-N40 WeakPolarHBondContact O-CB 3.45Å; I36-N40 PolarHBondContact O-N 3.37Å; I36-N40 PolarHBondContact O-ND2 3.28Å; I36-N40 PolarHBondContact O-OD1 3.21Å; I36-Y93 HydrophobicContact CB-CE1 4.16Å; I36-Y93 HydrophobicContact CG2-CE1 3.97Å; I36-L96 HydrophobicContact CG2-CD1 4.36Å; I36-V101 HydrophobicContact CG2-CG1 4.4Å; I36-V101 HydrophobicContact CG2-CG2 4.5Å; I36-A104 HydrophobicContact CD1-CB 3.88Å; I36-A104 HydrophobicContact CG1-CB 3.95Å; I36-A104 HydrophobicContact CG2-CB 3.88Å; I36-Y105 HydrophobicContact CD1-CD1 3.95Å; I36-Y105 HydrophobicContact CD1-CD2 3.9Å; I36-Y105 HydrophobicContact CD1-CE1 3.85Å; I36-Y105 HydrophobicContact CD1-CE2 3.81Å; I36-Y105 HydrophobicContact CD1-CG 3.96Å; I36-L108 HydrophobicContact CD1-CD1 4.06Å
37	S	95.6	Very high	85.7	Confident	17 Å²	17	49.5 Å²	49.5	12%	0.119	27%	0.27	C	S	.	.	H	α-helix	trans	-60.2	-48.7	-177.3	66.2	0	0	0	0	113.4	H34 N40 A41	H34-S37 WeakPolarHBondContact O-CB 3.22Å; H34-S37 PolarHBondContact O-N 2.93Å; H34-S37 PolarHBondContact O-OG 2.68Å; S37-N40 PolarHBondContact O-N 2.97Å; S37-A41 PolarHBondContact O-N 3.05Å
38	S	95.9	Very high	88.6	Confident	51 Å²	51	42 Å²	42	36%	0.357	24%	0.235	S	C	.	.	H	α-helix	trans	-68.9	-48	-179	174.8	0	0	0	0	112.2	I36 N40 A41 D42 K278	I36-S38 PolarHBondContact O-N 3.21Å; S38-N40 VanDerWaalsContact C-N 3.34Å; S38-N40 PolarHBondContact O-N 2.87Å; S38-A41 WeakPolarHBondContact O-CB 3.49Å; S38-A41 PolarHBondContact O-N 2.71Å; S38-D42 PolarHBondContact O-N 3.24Å; S38-K278 PolarHBondContact OG-NZ 3.23Å
39	P	97.5	Very high	91.5	Very high	19 Å²	19	40.4 Å²	40.4	12%	0.123	22%	0.223	C	C	.	.	H	α-helix	trans	-57.9	-41.2	171.4	-26.6	34.6	0	0	0	113.7	I36 A41 D42 F43 L91 Y93	I36-P39 WeakPolarHBondContact O-CD 3.31Å; P39-A41 VanDerWaalsContact C-N 3.3Å; P39-A41 PolarHBondContact O-N 2.9Å; P39-D42 PolarHBondContact O-N 3.48Å; P39-F43 PolarHBondContact O-N 3.21Å; P39-L91 WeakPolarHBondContact CB-O 3.31Å; P39-Y93 HydrophobicContact CB-CD1 3.86Å; P39-Y93 HydrophobicContact CB-CE1 3.77Å; P39-Y93 HydrophobicContact CG-CD1 4.37Å
40	N	97.8	Very high	93.7	Very high	10 Å²	10	33.8 Å²	33.8	5%	0.053	19%	0.193	C	C	.	.	H	α-helix	trans	-64.5	-35.2	177.1	-73.7	-1.2	0	0	0	112.2	I36 S37 S38 A44 Y93 Y105	I36-N40 WeakPolarHBondContact O-CB 3.45Å; I36-N40 PolarHBondContact O-N 3.37Å; I36-N40 PolarHBondContact O-ND2 3.28Å; I36-N40 PolarHBondContact O-OD1 3.21Å; S37-N40 PolarHBondContact O-N 2.97Å; S38-N40 VanDerWaalsContact C-N 3.34Å; S38-N40 PolarHBondContact O-N 2.87Å; N40-A44 WeakPolarHBondContact O-CB 3.49Å; N40-A44 PolarHBondContact O-N 2.86Å; N40-Y93 PolarHBondContact OD1-OH 2.66Å; N40-Y105 PolarHBondContact ND2-OH 3.12Å
41	A	97.6	Very high	95	Very high	13 Å²	13	31.7 Å²	31.7	11%	0.107	17%	0.168	C	C	.	.	H	α-helix	trans	-66.9	-42.9	173.7	0	0	0	0	0	111.5	S37 S38 P39 F43 A44 F45 K278 I391	S37-A41 PolarHBondContact O-N 3.05Å; S38-A41 WeakPolarHBondContact O-CB 3.49Å; S38-A41 PolarHBondContact O-N 2.71Å; P39-A41 VanDerWaalsContact C-N 3.3Å; P39-A41 PolarHBondContact O-N 2.9Å; A41-F43 PolarHBondContact O-N 3.24Å; A41-A44 WeakPolarHBondContact O-CB 3.41Å; A41-A44 PolarHBondContact O-N 3.45Å; A41-F45 WeakPolarHBondContact O-CD2 3.5Å; A41-F45 PolarHBondContact O-N 2.99Å; A41-F45 VanDerWaalsContact O-N 3.17Å; A41-K278 HydrophobicContact CB-CB 3.75Å; A41-K278 HydrophobicContact CB-CD 4.42Å; A41-I391 HydrophobicContact CB-CD1 4.08Å
42	D	97.6	Very high	95.5	Very high	73 Å²	73	30 Å²	30	39%	0.39	16%	0.16	S	C	.	.	H	α-helix	trans	-60.1	-46.4	174.4	-69.9	-32.5	0	0	0	111.5	S38 P39 A44 F45 A46 K278	S38-D42 PolarHBondContact O-N 3.24Å; P39-D42 PolarHBondContact O-N 3.48Å; D42-A44 VanDerWaalsContact C-N 3.3Å; D42-A44 PolarHBondContact O-N 2.82Å; D42-F45 PolarHBondContact O-N 3.14Å; D42-A46 WeakPolarHBondContact O-CB 3.49Å; D42-A46 PolarHBondContact O-N 3.4Å; D42-K278 WeakPolarHBondContact OD1-CD 3.34Å; D42-K278 WeakPolarHBondContact OD1-CE 3.39Å; D42-K278 IonicContact OD1-NZ 2.69Å; D42-K278 PolarHBondContact OD1-NZ 2.97Å; D42-K278 IonicContact OD2-NZ 3.36Å; D42-K278 PolarHBondContact OD2-NZ 3.33Å
43	F	97.8	Very high	95.6	Very high	4 Å²	4	28.5 Å²	28.5	2%	0.018	18%	0.175	C	C	.	.	H	α-helix	trans	-57.6	-42.7	174.6	176.6	-100.9	0	0	0	111.6	P39 A41 F45 A46 L47 L68 S69 L72 S90 L91 M315	P39-F43 PolarHBondContact O-N 3.21Å; A41-F43 PolarHBondContact O-N 3.24Å; F43-F45 PolarHBondContact O-N 3.12Å; F43-A46 PolarHBondContact O-N 3.29Å; F43-L47 HydrophobicContact CE1-CB 4.49Å; F43-L47 HydrophobicContact CE1-CD2 3.83Å; F43-L47 HydrophobicContact CZ-CB 4.5Å; F43-L47 HydrophobicContact CZ-CD2 4.05Å; F43-L47 WeakPolarHBondContact O-CB 3.43Å; F43-L47 PolarHBondContact O-N 2.8Å; F43-L68 HydrophobicContact CE1-CB 4Å; F43-L68 HydrophobicContact CZ-CB 4.4Å; F43-S69 WeakPolarHBondContact CD1-OG 3.18Å; F43-L72 HydrophobicContact CE2-CD1 4.17Å; F43-L72 HydrophobicContact CZ-CD1 3.82Å; F43-S90 WeakPolarHBondContact CD2-O 3.47Å; F43-L91 HydrophobicContact CD1-CD2 4.45Å; F43-L91 HydrophobicContact CD2-CD2 3.99Å; F43-L91 HydrophobicContact CE1-CD2 4.49Å; F43-L91 HydrophobicContact CE2-CD2 4.03Å; F43-L91 HydrophobicContact CG-CD2 4.19Å; F43-L91 HydrophobicContact CZ-CD2 4.29Å; F43-M315 HydrophobicContact CD2-CE 3.57Å; F43-M315 HydrophobicContact CE2-CE 3.38Å; F43-M315 HydrophobicContact CE2-SD 4.29Å; F43-M315 HydrophobicContact CZ-CE 4.31Å
44	A	97.3	Very high	95.3	Very high	2 Å²	2	33.7 Å²	33.7	2%	0.017	19%	0.194	C	C	.	.	H	α-helix	trans	-57.5	-46.4	178	0	0	0	0	0	112.7	N40 A41 D42 Y48 M63 P65 I391	N40-A44 WeakPolarHBondContact O-CB 3.49Å; N40-A44 PolarHBondContact O-N 2.86Å; A41-A44 WeakPolarHBondContact O-CB 3.41Å; A41-A44 PolarHBondContact O-N 3.45Å; D42-A44 VanDerWaalsContact C-N 3.3Å; D42-A44 PolarHBondContact O-N 2.82Å; A44-Y48 VanDerWaalsContact O-CB 3.27Å; A44-Y48 WeakPolarHBondContact O-CB 3.31Å; A44-Y48 PolarHBondContact O-N 3.49Å; A44-M63 VanDerWaalsContact O-CE 3.28Å; A44-M63 WeakPolarHBondContact O-CE 3.46Å; A44-P65 HydrophobicContact CB-CB 3.36Å; A44-P65 HydrophobicContact CB-CG 3.55Å; A44-I391 HydrophobicContact CB-CD1 4.2Å
45	F	97.4	Very high	95	Very high	6 Å²	6	34 Å²	34	3%	0.026	20%	0.198	C	C	.	.	H	α-helix	trans	-73.4	-36.9	179.3	-69.6	-68.8	0	0	0	112.6	A41 D42 F43 Y48 R49 I276 K278 L281 F382 I391	A41-F45 WeakPolarHBondContact O-CD2 3.5Å; A41-F45 PolarHBondContact O-N 2.99Å; A41-F45 VanDerWaalsContact O-N 3.17Å; D42-F45 PolarHBondContact O-N 3.14Å; F43-F45 PolarHBondContact O-N 3.12Å; F45-Y48 PolarHBondContact O-N 3.11Å; F45-R49 VanDerWaalsContact O-CG 3.28Å; F45-R49 WeakPolarHBondContact O-CG 3.18Å; F45-R49 PolarHBondContact O-N 3.01Å; F45-I276 HydrophobicContact CD1-CG1 4.35Å; F45-I276 HydrophobicContact CD1-CG2 4.31Å; F45-I276 HydrophobicContact CE1-CD1 3.99Å; F45-I276 HydrophobicContact CE1-CG1 3.68Å; F45-I276 HydrophobicContact CE1-CG2 4.41Å; F45-I276 HydrophobicContact CZ-CG1 4.39Å; F45-K278 HydrophobicContact CD2-CB 4.3Å; F45-K278 VanDerWaalsContact CE2-CA 3.47Å; F45-K278 HydrophobicContact CE2-CB 4.01Å; F45-L281 HydrophobicContact CZ-CB 4.09Å; F45-L281 HydrophobicContact CZ-CD2 4.08Å; F45-L281 HydrophobicContact CZ-CG 4.46Å; F45-F382 AromaticContact CE1-CE1 3.85Å; F45-F382 HydrophobicContact CE1-CE1 3.85Å; F45-F382 AromaticContact CE1-CZ 3.97Å; F45-F382 HydrophobicContact CE1-CZ 3.97Å; F45-F382 HydrophobicContact CZ-CE1 4.17Å; F45-I391 HydrophobicContact CE2-CD1 4.1Å; F45-I391 HydrophobicContact CZ-CD1 4.38Å
46	A	96.5	Very high	94.7	Very high	42 Å²	42	34.5 Å²	34.5	35%	0.347	21%	0.208	S	C	.	.	H	α-helix	trans	-61.4	-47.9	173.9	0	0	0	0	0	111.2	D42 F43 R49 N50 M315	D42-A46 WeakPolarHBondContact O-CB 3.49Å; D42-A46 PolarHBondContact O-N 3.4Å; F43-A46 PolarHBondContact O-N 3.29Å; A46-R49 PolarHBondContact O-N 3.43Å; A46-N50 WeakPolarHBondContact O-CB 3.22Å; A46-N50 PolarHBondContact O-N 3.29Å; A46-N50 VanDerWaalsContact O-N 3.08Å; A46-M315 HydrophobicContact CB-CE 3.98Å
47	L	95.4	Very high	94.1	Very high	0 Å²	0	41 Å²	41	0%	0	25%	0.25	C	C	.	.	H	α-helix	trans	-62.2	-44.4	177.2	178.9	63.6	0	0	0	111.5	F43 R49 N50 I51 M63 L68 M308 T311 M315	F43-L47 HydrophobicContact CE1-CB 4.49Å; F43-L47 HydrophobicContact CE1-CD2 3.83Å; F43-L47 HydrophobicContact CZ-CB 4.5Å; F43-L47 HydrophobicContact CZ-CD2 4.05Å; F43-L47 WeakPolarHBondContact O-CB 3.43Å; F43-L47 PolarHBondContact O-N 2.8Å; L47-R49 PolarHBondContact O-N 3.45Å; L47-N50 PolarHBondContact O-N 3.44Å; L47-I51 HydrophobicContact CD1-CD1 3.93Å; L47-I51 HydrophobicContact CD1-CG1 4.25Å; L47-I51 HydrophobicContact CG-CD1 4Å; L47-I51 WeakPolarHBondContact O-CG1 3.26Å; L47-I51 PolarHBondContact O-N 3.07Å; L47-M63 HydrophobicContact CB-CE 3.69Å; L47-M63 HydrophobicContact CB-SD 4.48Å; L47-M63 HydrophobicContact CD2-CE 3.44Å; L47-M63 VanDerWaalsContact CD2-CE 3.44Å; L47-M63 HydrophobicContact CD2-SD 3.66Å; L47-M63 HydrophobicContact CG-CE 3.48Å; L47-M63 VanDerWaalsContact CG-CE 3.48Å; L47-M63 HydrophobicContact CG-SD 3.66Å; L47-L68 HydrophobicContact CD2-CD1 3.41Å; L47-L68 VanDerWaalsContact CD2-CD1 3.41Å; L47-M308 HydrophobicContact CD1-SD 4.32Å; L47-T311 HydrophobicContact CD1-CG2 3.56Å; L47-M315 HydrophobicContact CB-CE 4.1Å; L47-M315 HydrophobicContact CB-SD 4.16Å; L47-M315 HydrophobicContact CD1-SD 3.75Å
48	Y	95.4	Very high	93.5	Very high	5 Å²	5	41.7 Å²	41.7	2%	0.02	26%	0.26	C	S	.	.	H	α-helix	trans	-59.6	-47.4	178.3	174.4	-91.8	0	0	0	111.7	A44 F45 N50 I51 N52 I61 E273 L380 K396	A44-Y48 VanDerWaalsContact O-CB 3.27Å; A44-Y48 WeakPolarHBondContact O-CB 3.31Å; A44-Y48 PolarHBondContact O-N 3.49Å; F45-Y48 PolarHBondContact O-N 3.11Å; Y48-N50 VanDerWaalsContact C-N 3.3Å; Y48-N50 PolarHBondContact O-N 3.34Å; Y48-I51 PolarHBondContact O-N 2.97Å; Y48-N52 HydrophobicContact CE1-CB 4.44Å; Y48-N52 VanDerWaalsContact O-CB 3.24Å; Y48-N52 WeakPolarHBondContact O-CB 3.1Å; Y48-N52 PolarHBondContact O-N 3.21Å; Y48-I61 HydrophobicContact CD2-CG2 4.2Å; Y48-I61 HydrophobicContact CE2-CD1 4.41Å; Y48-I61 HydrophobicContact CE2-CG2 4.19Å; Y48-E273 HydrophobicContact CE1-CG 4.13Å; Y48-E273 PolarHBondContact OH-OE1 3.4Å; Y48-L380 HydrophobicContact CE2-CD2 4.45Å; Y48-L380 WeakPolarHBondContact OH-CD2 3.32Å; Y48-K396 HydrophobicContact CE2-CB 4.36Å
49	R	94.9	Very high	93.3	Very high	118 Å²	118	45.6 Å²	45.6	45%	0.445	27%	0.27	S	S	.	.	H	α-helix	trans	-60.8	-41	178	-71.7	172.7	-170.4	159	3.7	111.7	F45 A46 L47 N52 G53 I276	F45-R49 VanDerWaalsContact O-CG 3.28Å; F45-R49 WeakPolarHBondContact O-CG 3.18Å; F45-R49 PolarHBondContact O-N 3.01Å; A46-R49 PolarHBondContact O-N 3.43Å; L47-R49 PolarHBondContact O-N 3.45Å; R49-N52 PolarHBondContact O-N 2.8Å; R49-G53 PolarHBondContact O-N 2.78Å; R49-I276 PolarHBondContact NH2-O 2.9Å
50	N	93.8	Very high	93.1	Very high	39 Å²	39	45.7 Å²	45.7	21%	0.209	27%	0.27	C	S	.	.	H	α-helix	trans	-65.6	-46.4	-179.9	-145.2	-72.4	0	0	0	111.6	A46 L47 Y48 G53 T311 E314	A46-N50 WeakPolarHBondContact O-CB 3.22Å; A46-N50 PolarHBondContact O-N 3.29Å; A46-N50 VanDerWaalsContact O-N 3.08Å; L47-N50 PolarHBondContact O-N 3.44Å; Y48-N50 VanDerWaalsContact C-N 3.3Å; Y48-N50 PolarHBondContact O-N 3.34Å; N50-G53 PolarHBondContact O-N 3.09Å; N50-T311 HydrophobicContact CB-CG2 4.05Å; N50-E314 PolarHBondContact OD1-OE2 3.14Å; N50-E314 VanDerWaalsContact OD1-OE2 3.05Å
51	I	92.8	Very high	92.9	Very high	14 Å²	14	45.3 Å²	45.3	7%	0.072	27%	0.268	C	S	.	.	H	α-helix	trans	-64.5	-43	174.9	-66.6	173.9	0	0	0	111	L47 Y48 G53 R54 T55 I61 M63 M308 T311	L47-I51 HydrophobicContact CD1-CD1 3.93Å; L47-I51 HydrophobicContact CD1-CG1 4.25Å; L47-I51 HydrophobicContact CG-CD1 4Å; L47-I51 WeakPolarHBondContact O-CG1 3.26Å; L47-I51 PolarHBondContact O-N 3.07Å; Y48-I51 PolarHBondContact O-N 2.97Å; I51-G53 VanDerWaalsContact C-N 3.34Å; I51-G53 PolarHBondContact O-N 3.47Å; I51-R54 PolarHBondContact O-N 3.23Å; I51-R54 VanDerWaalsContact O-N 3.11Å; I51-T55 WeakPolarHBondContact O-CB 3.41Å; I51-T55 PolarHBondContact O-N 3.33Å; I51-T55 PolarHBondContact O-OG1 3.27Å; I51-I61 HydrophobicContact CG2-CD1 4.47Å; I51-I61 HydrophobicContact CG2-CG1 4.36Å; I51-I61 HydrophobicContact CG2-CG2 3.78Å; I51-M63 HydrophobicContact CD1-SD 3.53Å; I51-M63 VanDerWaalsContact CD1-SD 3.53Å; I51-M308 HydrophobicContact CD1-CE 4.18Å; I51-M308 HydrophobicContact CD1-SD 4.48Å; I51-T311 HydrophobicContact CG1-CG2 4.12Å
52	N	92.6	Very high	92.6	Very high	34 Å²	34	44.9 Å²	44.9	18%	0.182	26%	0.264	C	S	.	.	H	α-helix	trans	-59.9	-43.4	179.1	-169.4	43	0	0	0	112	Y48 R49 R54 T55 I61 E273 K396	Y48-N52 HydrophobicContact CE1-CB 4.44Å; Y48-N52 VanDerWaalsContact O-CB 3.24Å; Y48-N52 WeakPolarHBondContact O-CB 3.1Å; Y48-N52 PolarHBondContact O-N 3.21Å; R49-N52 PolarHBondContact O-N 2.8Å; N52-R54 PolarHBondContact O-N 2.96Å; N52-R54 VanDerWaalsContact O-N 3.12Å; N52-T55 PolarHBondContact O-N 2.61Å; N52-T55 VanDerWaalsContact O-N 3.12Å; N52-I61 HydrophobicContact CB-CD1 3.74Å; N52-I61 VanDerWaalsContact OD1-CD1 3.31Å; N52-I61 WeakPolarHBondContact OD1-CD1 3.35Å; N52-E273 PolarHBondContact ND2-OE1 2.95Å; N52-E273 PolarHBondContact ND2-OE2 2.9Å; N52-K396 PolarHBondContact OD1-NZ 2.94Å
53	G	91.4	Very high	92.4	Very high	73 Å²	73	41.5 Å²	41.5	75%	0.753	25%	0.245	S	C	*	.	H	α-helix	trans	-61.9	-18.9	177.1	0	0	0	0	0	114.8	R49 N50 I51	R49-G53 PolarHBondContact O-N 2.78Å; N50-G53 PolarHBondContact O-N 3.09Å; I51-G53 VanDerWaalsContact C-N 3.34Å; I51-G53 PolarHBondContact O-N 3.47Å
54	R	87.6	Confident	92.2	Very high	108 Å²	108	41.3 Å²	41.3	41%	0.408	25%	0.245	S	C	.	.	H	α-helix	trans	-102.9	-12.8	178.3	-63.6	168.9	176.2	-109.7	23.2	113.4	I51 N52 E310 E314	I51-R54 PolarHBondContact O-N 3.23Å; I51-R54 VanDerWaalsContact O-N 3.11Å; N52-R54 PolarHBondContact O-N 2.96Å; N52-R54 VanDerWaalsContact O-N 3.12Å; R54-E310 PolarHBondContact NH2-O 3.18Å; R54-E314 IonicContact CZ-OE1 2.71Å; R54-E314 IonicContact CZ-OE2 3.49Å; R54-E314 VanDerWaalsContact CZ-OE2 3.26Å; R54-E314 IonicContact NE-OE1 2.92Å; R54-E314 IonicContact NE-OE2 2.85Å; R54-E314 PolarHBondContact NE-OE2 3.45Å; R54-E314 IonicContact NH1-OE1 2.69Å; R54-E314 IonicContact NH2-OE1 2.62Å; R54-E314 PolarHBondContact NH2-OE1 3.46Å; R54-E314 IonicContact NH2-OE2 3.01Å; R54-E314 PolarHBondContact NH2-OE2 2.66Å
55	T	88.8	Confident	92.2	Very high	39 Å²	39	41.2 Å²	41.2	24%	0.239	24%	0.244	C	C	.	.	S	Bend	trans	-86.6	127	-173	-64.3	0	0	0	0	109.7	I51 N52 K59 I61	I51-T55 WeakPolarHBondContact O-CB 3.41Å; I51-T55 PolarHBondContact O-N 3.33Å; I51-T55 PolarHBondContact O-OG1 3.27Å; N52-T55 PolarHBondContact O-N 2.61Å; N52-T55 VanDerWaalsContact O-N 3.12Å; T55-K59 HydrophobicContact CG2-CB 3.55Å; T55-I61 HydrophobicContact CG2-CD1 4.22Å; T55-I61 HydrophobicContact CG2-CG1 3.87Å
56	A	87.4	Confident	92	Very high	58 Å²	58	41.1 Å²	41.1	48%	0.479	24%	0.244	S	C	.	.	P	Polyproline II helix	trans	-59.6	144.2	176.8	0	0	0	0	0	111.1	G58 K59	A56-G58 PolarHBondContact O-N 2.97Å; A56-K59 HydrophobicContact CB-CG 4.1Å; A56-K59 WeakPolarHBondContact O-CB 3.37Å; A56-K59 WeakPolarHBondContact O-CG 3.24Å; A56-K59 PolarHBondContact O-N 3.22Å; A56-K59 VanDerWaalsContact O-N 3.15Å
57	P	84.6	Confident	91.9	Very high	135 Å²	135	39.1 Å²	39.1	88%	0.877	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	-50.9	138.9	177.9	-28.3	35	0	0	0	112.7	K59	P57-K59 PolarHBondContact O-N 3.08Å
58	G	83.6	Confident	91.9	Very high	33 Å²	33	39.1 Å²	39.1	34%	0.34	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	77.4	-0.5	178.9	0	0	0	0	0	115.4	A56 S398	A56-G58 PolarHBondContact O-N 2.97Å; G58-S398 VanDerWaalsContact C-CB 3.49Å; G58-S398 VanDerWaalsContact O-CB 3.23Å; G58-S398 WeakPolarHBondContact O-CB 3.4Å
59	K	90.6	Very high	92	Very high	132 Å²	132	38.9 Å²	38.9	57%	0.574	23%	0.226	S	C	*	.			trans	-80.9	150	170.1	-65.4	-66.3	-175	177	0	111.2	T55 A56 P57 S398	T55-K59 HydrophobicContact CG2-CB 3.55Å; A56-K59 HydrophobicContact CB-CG 4.1Å; A56-K59 WeakPolarHBondContact O-CB 3.37Å; A56-K59 WeakPolarHBondContact O-CG 3.24Å; A56-K59 PolarHBondContact O-N 3.22Å; A56-K59 VanDerWaalsContact O-N 3.15Å; P57-K59 PolarHBondContact O-N 3.08Å; K59-S398 WeakPolarHBondContact O-CB 3.48Å; K59-S398 PolarHBondContact O-OG 3.42Å
60	N	93.6	Very high	92	Very high	22 Å²	22	33.2 Å²	33.2	12%	0.118	21%	0.205	C	C	.	.			trans	-75.8	151.7	173.1	-63.2	-23.4	0	0	0	110	I302 K396 S398 N399 A402	N60-I302 HydrophobicContact CB-CD1 3.44Å; N60-I302 VanDerWaalsContact CB-CD1 3.44Å; N60-I302 HydrophobicContact CB-CG1 4.48Å; N60-K396 VanDerWaalsContact CA-O 3.31Å; N60-K396 WeakPolarHBondContact CA-O 3.35Å; N60-S398 WeakPolarHBondContact OD1-CA 3.45Å; N60-S398 PolarHBondContact OD1-N 3.09Å; N60-N399 PolarHBondContact ND2-O 2.87Å; N60-N399 PolarHBondContact OD1-N 3.41Å; N60-N399 PolarHBondContact OD1-O 3.14Å; N60-A402 PolarHBondContact ND2-O 2.82Å; N60-A402 VanDerWaalsContact ND2-O 3.1Å
61	I	93.6	Very high	92.1	Very high	2 Å²	2	31.4 Å²	31.4	1%	0.01	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	130.8	170.7	-61.5	172.5	0	0	0	106.4	Y48 I51 N52 T55 G395 K396	Y48-I61 HydrophobicContact CD2-CG2 4.2Å; Y48-I61 HydrophobicContact CE2-CD1 4.41Å; Y48-I61 HydrophobicContact CE2-CG2 4.19Å; I51-I61 HydrophobicContact CG2-CD1 4.47Å; I51-I61 HydrophobicContact CG2-CG1 4.36Å; I51-I61 HydrophobicContact CG2-CG2 3.78Å; N52-I61 HydrophobicContact CB-CD1 3.74Å; N52-I61 VanDerWaalsContact OD1-CD1 3.31Å; N52-I61 WeakPolarHBondContact OD1-CD1 3.35Å; T55-I61 HydrophobicContact CG2-CD1 4.22Å; T55-I61 HydrophobicContact CG2-CG1 3.87Å; I61-G395 CarbonylContact O-C 3.57Å; I61-G395 WeakPolarHBondContact O-CA 3.39Å; I61-K396 HydrophobicContact CB-CB 4.2Å; I61-K396 PolarHBondContact N-O 3.14Å; I61-K396 PolarHBondContact O-N 3.15Å
62	F	92.1	Very high	92.2	Very high	4 Å²	4	30.8 Å²	30.8	2%	0.018	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.5	133.4	175.5	-164.9	-109.8	0	0	0	110.4	I302 V304 A345 L347 V381 F393	F62-I302 HydrophobicContact CB-CD1 3.52Å; F62-I302 HydrophobicContact CB-CG1 3.73Å; F62-I302 HydrophobicContact CB-CG2 4.3Å; F62-I302 HydrophobicContact CD1-CG2 3.85Å; F62-I302 HydrophobicContact CD2-CD1 4.46Å; F62-I302 HydrophobicContact CD2-CG2 3.9Å; F62-I302 HydrophobicContact CE1-CG2 4.14Å; F62-I302 HydrophobicContact CE2-CG2 4.21Å; F62-I302 HydrophobicContact CG-CD1 4.11Å; F62-I302 HydrophobicContact CG-CG1 4.11Å; F62-I302 HydrophobicContact CG-CG2 3.74Å; F62-I302 HydrophobicContact CZ-CG2 4.34Å; F62-V304 HydrophobicContact CB-CB 4.14Å; F62-V304 HydrophobicContact CB-CG2 3.8Å; F62-V304 WeakPolarHBondContact O-CB 3.48Å; F62-A345 HydrophobicContact CD1-CB 3.69Å; F62-A345 HydrophobicContact CE1-CB 3.79Å; F62-L347 HydrophobicContact CE1-CB 3.52Å; F62-L347 HydrophobicContact CE2-CB 4.04Å; F62-L347 HydrophobicContact CE2-CD2 3.65Å; F62-L347 HydrophobicContact CE2-CG 4.5Å; F62-L347 HydrophobicContact CZ-CB 3.24Å; F62-L347 HydrophobicContact CZ-CD2 3.63Å; F62-L347 HydrophobicContact CZ-CG 4.03Å; F62-V381 HydrophobicContact CE2-CG1 4.35Å; F62-F393 HydrophobicContact CD1-CD1 4.44Å; F62-F393 AromaticContact CE1-CD1 3.42Å; F62-F393 HydrophobicContact CE1-CD1 3.42Å; F62-F393 VanDerWaalsContact CE1-CD1 3.42Å; F62-F393 AromaticContact CE1-CE1 3.79Å; F62-F393 HydrophobicContact CE1-CE1 3.79Å; F62-F393 HydrophobicContact CE1-CG 4.18Å; F62-F393 HydrophobicContact CE2-CB 3.86Å; F62-F393 HydrophobicContact CE2-CD1 4.23Å; F62-F393 HydrophobicContact CE2-CG 4.28Å; F62-F393 HydrophobicContact CZ-CB 3.63Å; F62-F393 AromaticContact CZ-CD1 3.25Å; F62-F393 HydrophobicContact CZ-CD1 3.25Å; F62-F393 HydrophobicContact CZ-CD2 4.46Å; F62-F393 AromaticContact CZ-CE1 3.97Å; F62-F393 HydrophobicContact CZ-CE1 3.97Å; F62-F393 AromaticContact CZ-CG 3.54Å; F62-F393 HydrophobicContact CZ-CG 3.54Å
63	M	93.2	Very high	92.4	Very high	1 Å²	1	29.2 Å²	29.2	1%	0.005	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.3	162.8	-178.2	67.8	-164.1	-150.1	0	0	110.6	A44 L47 I51 P65 H343 F393 A394	A44-M63 VanDerWaalsContact O-CE 3.28Å; A44-M63 WeakPolarHBondContact O-CE 3.46Å; L47-M63 HydrophobicContact CB-CE 3.69Å; L47-M63 HydrophobicContact CB-SD 4.48Å; L47-M63 HydrophobicContact CD2-CE 3.44Å; L47-M63 VanDerWaalsContact CD2-CE 3.44Å; L47-M63 HydrophobicContact CD2-SD 3.66Å; L47-M63 HydrophobicContact CG-CE 3.48Å; L47-M63 VanDerWaalsContact CG-CE 3.48Å; L47-M63 HydrophobicContact CG-SD 3.66Å; I51-M63 HydrophobicContact CD1-SD 3.53Å; I51-M63 VanDerWaalsContact CD1-SD 3.53Å; M63-P65 HydrophobicContact CE-CB 4.39Å; M63-P65 HydrophobicContact CE-CG 3.78Å; M63-P65 HydrophobicContact CG-CG 4.32Å; M63-P65 WeakPolarHBondContact O-CD 3.5Å; M63-H343 WeakPolarHBondContact CA-NE2 3.41Å; M63-F393 WeakPolarHBondContact O-CA 3.42Å; M63-A394 PolarHBondContact N-O 2.99Å; M63-A394 PolarHBondContact O-N 3.48Å
64	S	94.7	Very high	92.6	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	15%	0.148	C	C	.	.			trans	-105.6	99.3	164.3	-178.1	0	0	0	0	110.1	L66 G67 L68 V197 H343 I392	S64-L66 VanDerWaalsContact C-N 3.3Å; S64-L66 PolarHBondContact O-N 3.26Å; S64-G67 PolarHBondContact O-N 3.2Å; S64-G67 PolarHBondContact OG-N 2.98Å; S64-G67 VanDerWaalsContact OG-N 3.13Å; S64-L68 PolarHBondContact O-N 3.32Å; S64-L68 VanDerWaalsContact O-N 3.08Å; S64-V197 VanDerWaalsContact CB-CG2 3.45Å; S64-H343 PolarHBondContact N-CE1 3.41Å; S64-H343 PolarHBondContact N-NE2 3.46Å; S64-I392 WeakPolarHBondContact CA-O 3.37Å; S64-I392 VanDerWaalsContact CB-O 3.24Å; S64-I392 WeakPolarHBondContact CB-O 3.4Å; S64-I392 PolarHBondContact OG-O 3.41Å
65	P	95.2	Very high	93	Very high	1 Å²	1	20.7 Å²	20.7	1%	0.006	13%	0.129	C	C	.	.	H	α-helix	trans	-58.4	-44.5	175.2	-18.9	28.4	0	0	0	111.7	A44 M63 G67 L68 S69 I391 A394	A44-P65 HydrophobicContact CB-CB 3.36Å; A44-P65 HydrophobicContact CB-CG 3.55Å; M63-P65 HydrophobicContact CE-CB 4.39Å; M63-P65 HydrophobicContact CE-CG 3.78Å; M63-P65 HydrophobicContact CG-CG 4.32Å; M63-P65 WeakPolarHBondContact O-CD 3.5Å; P65-G67 PolarHBondContact O-N 3.44Å; P65-L68 PolarHBondContact O-N 2.84Å; P65-S69 WeakPolarHBondContact O-CB 3.45Å; P65-S69 PolarHBondContact O-N 2.92Å; P65-S69 PolarHBondContact O-OG 3.35Å; P65-S69 VanDerWaalsContact O-OG 3.07Å; P65-I391 HydrophobicContact CG-CG2 4.19Å; P65-A394 HydrophobicContact CG-CB 3.93Å
66	L	95.1	Very high	93.3	Very high	3 Å²	3	18.8 Å²	18.8	2%	0.016	12%	0.117	C	C	.	.	H	α-helix	trans	-58.2	-45.4	177.6	176	64.7	0	0	0	112.4	S64 S69 A70 L108 L112 L123 I391 I392	S64-L66 VanDerWaalsContact C-N 3.3Å; S64-L66 PolarHBondContact O-N 3.26Å; L66-S69 PolarHBondContact O-N 3.36Å; L66-A70 WeakPolarHBondContact O-CB 3.32Å; L66-A70 PolarHBondContact O-N 2.78Å; L66-L108 HydrophobicContact CD1-CD1 3.79Å; L66-L108 HydrophobicContact CD1-CD2 4.05Å; L66-L108 HydrophobicContact CD2-CD2 4.31Å; L66-L112 HydrophobicContact CD2-CD1 3.86Å; L66-L123 HydrophobicContact CD2-CD1 3.76Å; L66-L123 HydrophobicContact CG-CD1 3.99Å; L66-I391 WeakPolarHBondContact CB-O 3.47Å; L66-I391 PolarHBondContact N-O 3.05Å; L66-I392 HydrophobicContact CD2-CG1 4.29Å
67	G	94.2	Very high	93.7	Very high	0 Å²	0	16.4 Å²	16.4	0%	0	10%	0.097	C	C	.	.	H	α-helix	trans	-59.9	-46.3	177.3	0	0	0	0	0	111.9	S64 P65 A70 A71 N125 N195	S64-G67 PolarHBondContact O-N 3.2Å; S64-G67 PolarHBondContact OG-N 2.98Å; S64-G67 VanDerWaalsContact OG-N 3.13Å; P65-G67 PolarHBondContact O-N 3.44Å; G67-A70 PolarHBondContact O-N 3.17Å; G67-A71 WeakPolarHBondContact O-CB 3.26Å; G67-A71 PolarHBondContact O-N 3.37Å; G67-N125 PolarHBondContact O-OD1 2.95Å; G67-N195 VanDerWaalsContact C-CG 3.48Å; G67-N195 VanDerWaalsContact CA-ND2 3.26Å; G67-N195 WeakPolarHBondContact CA-ND2 3.41Å; G67-N195 PolarHBondContact O-ND2 2.89Å; G67-N195 VanDerWaalsContact O-ND2 3.14Å
68	L	94.8	Very high	94.3	Very high	0 Å²	0	10 Å²	10	0%	0	6%	0.055	C	C	.	.	H	α-helix	trans	-66.1	-43.3	177.8	-78.3	168.6	0	0	0	113	F43 L47 S64 P65 A70 A71 L72 M308 H343	F43-L68 HydrophobicContact CE1-CB 4Å; F43-L68 HydrophobicContact CZ-CB 4.4Å; L47-L68 HydrophobicContact CD2-CD1 3.41Å; L47-L68 VanDerWaalsContact CD2-CD1 3.41Å; S64-L68 PolarHBondContact O-N 3.32Å; S64-L68 VanDerWaalsContact O-N 3.08Å; P65-L68 PolarHBondContact O-N 2.84Å; L68-A70 VanDerWaalsContact C-N 3.29Å; L68-A70 PolarHBondContact O-N 3.08Å; L68-A71 PolarHBondContact O-N 3.41Å; L68-L72 WeakPolarHBondContact O-CB 3.46Å; L68-L72 VanDerWaalsContact O-CG 3.3Å; L68-L72 WeakPolarHBondContact O-CG 3.5Å; L68-L72 PolarHBondContact O-N 3.38Å; L68-M308 HydrophobicContact CD1-CG 4.41Å; L68-M308 HydrophobicContact CD1-SD 3.88Å; L68-M308 HydrophobicContact CD2-CG 3.96Å; L68-M308 HydrophobicContact CD2-SD 4.48Å; L68-H343 HydrophobicContact CD2-CB 3.94Å; L68-H343 HydrophobicContact CG-CB 4.47Å
69	S	96.8	Very high	94.9	Very high	0 Å²	0	8.4 Å²	8.4	0%	0	4%	0.039	C	C	.	.	H	α-helix	trans	-57.6	-44.4	174.1	-61.7	0	0	0	0	111.2	F43 P65 L66 L72 S73 Y105	F43-S69 WeakPolarHBondContact CD1-OG 3.18Å; P65-S69 WeakPolarHBondContact O-CB 3.45Å; P65-S69 PolarHBondContact O-N 2.92Å; P65-S69 PolarHBondContact O-OG 3.35Å; P65-S69 VanDerWaalsContact O-OG 3.07Å; L66-S69 PolarHBondContact O-N 3.36Å; S69-L72 PolarHBondContact O-N 3.21Å; S69-S73 WeakPolarHBondContact O-CB 3.24Å; S69-S73 PolarHBondContact O-N 3.46Å; S69-Y105 WeakPolarHBondContact CB-OH 3.48Å; S69-Y105 PolarHBondContact O-OH 3.32Å
70	A	95.8	Very high	95.2	Very high	0 Å²	0	7.6 Å²	7.6	0%	0	3%	0.032	C	C	.	.	H	α-helix	trans	-64.2	-43.6	177.3	0	0	0	0	0	112.2	L66 G67 L68 S73 M74 Y105 F109 N125	L66-A70 WeakPolarHBondContact O-CB 3.32Å; L66-A70 PolarHBondContact O-N 2.78Å; G67-A70 PolarHBondContact O-N 3.17Å; L68-A70 VanDerWaalsContact C-N 3.29Å; L68-A70 PolarHBondContact O-N 3.08Å; A70-S73 PolarHBondContact O-N 2.99Å; A70-M74 VanDerWaalsContact O-CB 3.28Å; A70-M74 WeakPolarHBondContact O-CB 3.33Å; A70-M74 PolarHBondContact O-N 3.44Å; A70-Y105 HydrophobicContact CB-CD1 4.12Å; A70-Y105 HydrophobicContact CB-CE1 3.61Å; A70-Y105 PolarHBondContact N-OH 3.18Å; A70-F109 HydrophobicContact CB-CE2 4.25Å; A70-F109 HydrophobicContact CB-CZ 3.75Å; A70-N125 WeakPolarHBondContact CB-ND2 3.34Å
71	A	94.9	Very high	95.4	Very high	0 Å²	0	9.2 Å²	9.2	0%	0	5%	0.054	C	C	.	.	H	α-helix	trans	-63.1	-42.6	178.8	0	0	0	0	0	112.4	G67 L68 M74 L75 N125 L193 N195	G67-A71 WeakPolarHBondContact O-CB 3.26Å; G67-A71 PolarHBondContact O-N 3.37Å; L68-A71 PolarHBondContact O-N 3.41Å; A71-M74 WeakPolarHBondContact O-CB 3.46Å; A71-M74 PolarHBondContact O-N 3.05Å; A71-L75 WeakPolarHBondContact O-CB 3.49Å; A71-L75 PolarHBondContact O-N 3.43Å; A71-N125 WeakPolarHBondContact CB-OD1 3.28Å; A71-L193 HydrophobicContact CB-CD1 4.11Å; A71-L193 HydrophobicContact CB-CD2 3.94Å; A71-L193 HydrophobicContact CB-CG 4.11Å; A71-N195 HydrophobicContact CB-CB 4.02Å
72	L	96.6	Very high	95.6	Very high	2 Å²	2	14.8 Å²	14.8	1%	0.01	8%	0.078	C	C	.	.	H	α-helix	trans	-71.7	-34.7	178.5	-65.9	172.1	0	0	0	112.2	F43 L68 S69 L75 S76 L87 L91 L193 L312 I317	F43-L72 HydrophobicContact CE2-CD1 4.17Å; F43-L72 HydrophobicContact CZ-CD1 3.82Å; L68-L72 WeakPolarHBondContact O-CB 3.46Å; L68-L72 VanDerWaalsContact O-CG 3.3Å; L68-L72 WeakPolarHBondContact O-CG 3.5Å; L68-L72 PolarHBondContact O-N 3.38Å; S69-L72 PolarHBondContact O-N 3.21Å; L72-L75 WeakPolarHBondContact O-CB 3.34Å; L72-L75 PolarHBondContact O-N 3.16Å; L72-S76 PolarHBondContact O-N 2.82Å; L72-L87 HydrophobicContact CD2-CD2 4.29Å; L72-L91 HydrophobicContact CB-CD1 3.83Å; L72-L91 HydrophobicContact CB-CD2 4.13Å; L72-L91 HydrophobicContact CB-CG 4.35Å; L72-L91 HydrophobicContact CD1-CD2 4.05Å; L72-L193 HydrophobicContact CD2-CD2 4.17Å; L72-L312 HydrophobicContact CD1-CD2 3.73Å; L72-L312 HydrophobicContact CD2-CD1 3.98Å; L72-L312 HydrophobicContact CD2-CD2 4.49Å; L72-I317 HydrophobicContact CD1-CD1 4.04Å; L72-I317 HydrophobicContact CD2-CD1 4.24Å
73	S	96.7	Very high	95.9	Very high	0 Å²	0	14.7 Å²	14.7	0%	0	8%	0.078	C	C	.	.	H	α-helix	trans	-70.1	-34.4	173.1	-169	0	0	0	0	112.7	S69 A70 S76 T77 V101 Y105 Y147	S69-S73 WeakPolarHBondContact O-CB 3.24Å; S69-S73 PolarHBondContact O-N 3.46Å; A70-S73 PolarHBondContact O-N 2.99Å; S73-S76 PolarHBondContact O-N 2.84Å; S73-S76 PolarHBondContact O-OG 2.95Å; S73-T77 PolarHBondContact O-N 3.46Å; S73-T77 PolarHBondContact O-OG1 3.17Å; S73-V101 WeakPolarHBondContact OG-CG1 3.44Å; S73-Y105 WeakPolarHBondContact OG-CE2 3.16Å; S73-Y147 WeakPolarHBondContact CB-OH 3.42Å; S73-Y147 PolarHBondContact O-OH 3.02Å; S73-Y147 PolarHBondContact OG-OH 3.43Å
74	M	94.9	Very high	96.2	Very high	0 Å²	0	16.7 Å²	16.7	0%	0	9%	0.087	C	C	.	.	H	α-helix	trans	-62.4	-48.6	170.1	-175.9	-174.5	62.5	0	0	109.8	A70 A71 S76 T77 N125 V127 I143 Y147 L193	A70-M74 VanDerWaalsContact O-CB 3.28Å; A70-M74 WeakPolarHBondContact O-CB 3.33Å; A70-M74 PolarHBondContact O-N 3.44Å; A71-M74 WeakPolarHBondContact O-CB 3.46Å; A71-M74 PolarHBondContact O-N 3.05Å; M74-S76 VanDerWaalsContact C-N 3.31Å; M74-S76 PolarHBondContact O-N 3.39Å; M74-T77 WeakPolarHBondContact O-CB 3.49Å; M74-T77 PolarHBondContact O-N 2.98Å; M74-N125 HydrophobicContact CE-CB 3.82Å; M74-N125 HydrophobicContact SD-CB 3.86Å; M74-V127 HydrophobicContact CE-CG2 3.31Å; M74-V127 HydrophobicContact SD-CG2 4.18Å; M74-I143 HydrophobicContact CB-CD1 4.41Å; M74-I143 HydrophobicContact CG-CB 4.26Å; M74-I143 HydrophobicContact CG-CD1 3.43Å; M74-I143 VanDerWaalsContact CG-CD1 3.43Å; M74-I143 HydrophobicContact CG-CG1 3.67Å; M74-I143 HydrophobicContact CG-CG2 3.85Å; M74-I143 HydrophobicContact SD-CB 4.5Å; M74-I143 HydrophobicContact SD-CG1 4.34Å; M74-I143 HydrophobicContact SD-CG2 3.48Å; M74-I143 WeakPolarHBondContact SD-CG2 3.3Å; M74-Y147 HydrophobicContact CB-CD1 4.07Å; M74-Y147 HydrophobicContact CB-CD2 4.15Å; M74-Y147 HydrophobicContact CB-CE1 4.29Å; M74-Y147 HydrophobicContact CB-CE2 4.38Å; M74-Y147 HydrophobicContact CB-CG 4Å; M74-Y147 HydrophobicContact CG-CD2 4.2Å; M74-Y147 HydrophobicContact CG-CG 4.22Å; M74-L193 HydrophobicContact CE-CD1 3.35Å
75	L	95.1	Very high	96.4	Very high	2 Å²	2	19.2 Å²	19.2	1%	0.01	11%	0.108	C	C	.	.	H	α-helix	trans	-59.7	-39.1	176.5	-179.9	65.3	0	0	0	112.5	A71 L72 T77 G78 L87 L191 L193 F327 I330 V338	A71-L75 WeakPolarHBondContact O-CB 3.49Å; A71-L75 PolarHBondContact O-N 3.43Å; L72-L75 WeakPolarHBondContact O-CB 3.34Å; L72-L75 PolarHBondContact O-N 3.16Å; L75-T77 VanDerWaalsContact C-N 3.26Å; L75-T77 PolarHBondContact O-N 2.83Å; L75-G78 PolarHBondContact O-N 3.06Å; L75-G78 VanDerWaalsContact O-N 3.16Å; L75-L87 HydrophobicContact CD2-CD1 4.37Å; L75-L87 HydrophobicContact CD2-CD2 4.15Å; L75-L87 HydrophobicContact CG-CD1 4.24Å; L75-L191 HydrophobicContact CD1-CD1 4.32Å; L75-L191 HydrophobicContact CD1-CD2 4.11Å; L75-L193 HydrophobicContact CB-CD2 4.34Å; L75-L193 HydrophobicContact CD2-CD2 4.25Å; L75-F327 HydrophobicContact CD1-CD1 4.22Å; L75-F327 HydrophobicContact CD1-CE1 3.49Å; L75-F327 VanDerWaalsContact CD1-CE1 3.49Å; L75-F327 HydrophobicContact CD1-CZ 3.83Å; L75-F327 HydrophobicContact CD2-CE1 4.36Å; L75-F327 HydrophobicContact CD2-CZ 4.19Å; L75-F327 HydrophobicContact CG-CE1 3.75Å; L75-F327 HydrophobicContact CG-CZ 4.07Å; L75-I330 HydrophobicContact CD1-CD1 4.5Å; L75-V338 HydrophobicContact CD1-CG2 4.28Å; L75-V338 HydrophobicContact CD2-CG2 3.54Å
76	S	96.8	Very high	96.5	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-65.6	-27.4	-179.9	75.5	0	0	0	0	113.1	L72 S73 M74 G78 A79 H84 F88 Q98	L72-S76 PolarHBondContact O-N 2.82Å; S73-S76 PolarHBondContact O-N 2.84Å; S73-S76 PolarHBondContact O-OG 2.95Å; M74-S76 VanDerWaalsContact C-N 3.31Å; M74-S76 PolarHBondContact O-N 3.39Å; S76-G78 PolarHBondContact O-N 3.4Å; S76-G78 VanDerWaalsContact O-N 3.17Å; S76-A79 WeakPolarHBondContact O-CB 3.31Å; S76-A79 PolarHBondContact O-N 2.71Å; S76-H84 PolarHBondContact O-CD2 2.9Å; S76-H84 VanDerWaalsContact O-CD2 3.32Å; S76-F88 VanDerWaalsContact OG-CE2 3.26Å; S76-F88 WeakPolarHBondContact OG-CE2 3.48Å; S76-Q98 PolarHBondContact OG-NE2 3.25Å; S76-Q98 PolarHBondContact OG-OE1 3.48Å
77	T	95.7	Very high	96.7	Very high	8 Å²	8	20.8 Å²	20.8	5%	0.049	12%	0.115	C	C	.	.	H	α-helix	trans	-57.1	-33.6	175.6	-59.7	0	0	0	0	111.3	S73 M74 L75 R80 Q98 N102 Y139 D142 I143	S73-T77 PolarHBondContact O-N 3.46Å; S73-T77 PolarHBondContact O-OG1 3.17Å; M74-T77 WeakPolarHBondContact O-CB 3.49Å; M74-T77 PolarHBondContact O-N 2.98Å; L75-T77 VanDerWaalsContact C-N 3.26Å; L75-T77 PolarHBondContact O-N 2.83Å; T77-R80 PolarHBondContact O-NH1 3.12Å; T77-Q98 PolarHBondContact OG1-NE2 3.35Å; T77-N102 PolarHBondContact OG1-OD1 3.17Å; T77-Y139 HydrophobicContact CG2-CD2 4.33Å; T77-D142 HydrophobicContact CG2-CB 3.69Å; T77-I143 HydrophobicContact CG2-CD1 4.26Å
78	G	95.6	Very high	96.8	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	12%	0.117	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.4	-7.3	176	0	0	0	0	0	115.2	L75 S76 F327 A329 I330	L75-G78 PolarHBondContact O-N 3.06Å; L75-G78 VanDerWaalsContact O-N 3.16Å; S76-G78 PolarHBondContact O-N 3.4Å; S76-G78 VanDerWaalsContact O-N 3.17Å; G78-F327 CarbonylContact O-C 3.48Å; G78-F327 VanDerWaalsContact O-CA 3.23Å; G78-F327 WeakPolarHBondContact O-CA 3.21Å; G78-A329 WeakPolarHBondContact O-CB 3.39Å; G78-A329 PolarHBondContact O-N 3.22Å; G78-I330 VanDerWaalsContact CA-CG1 3.48Å
79	A	97.3	Very high	96.9	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	14%	0.143	C	C	.	.			trans	-97.3	154.3	-174	0	0	0	0	0	112.9	S76 T83 H84 L87 D326 F327	S76-A79 WeakPolarHBondContact O-CB 3.31Å; S76-A79 PolarHBondContact O-N 2.71Å; A79-T83 HydrophobicContact CB-CG2 3.95Å; A79-H84 HydrophobicContact CB-CB 4.02Å; A79-L87 HydrophobicContact CB-CD1 3.89Å; A79-D326 CarbonylContact C-O 3.58Å; A79-D326 WeakPolarHBondContact CA-O 3.45Å; A79-F327 HydrophobicContact CB-CD1 3.96Å; A79-F327 HydrophobicContact CB-CE1 3.83Å
80	R	97.8	Very high	96.9	Very high	115 Å²	115	25.9 Å²	25.9	43%	0.434	15%	0.15	S	C	.	.			trans	-133	172.7	172	-63.1	-64.9	179.5	-92.5	2.6	111.3	T77 K82 T83 H84 D326	T77-R80 PolarHBondContact O-NH1 3.12Å; R80-K82 PolarHBondContact O-N 2.98Å; R80-T83 PolarHBondContact O-N 3.44Å; R80-H84 PolarHBondContact O-N 2.68Å; R80-H84 VanDerWaalsContact O-N 3.1Å; R80-D326 HydrophobicContact CB-CB 4.46Å; R80-D326 WeakPolarHBondContact CB-OD2 3.36Å; R80-D326 PolarHBondContact N-O 2.91Å
81	G	97.3	Very high	97	Very high	56 Å²	56	25.9 Å²	25.9	58%	0.577	15%	0.15	S	C	*	.	H	α-helix	trans	51.4	-132.2	174.8	0	0	0	0	0	114	T83 H84 A85	G81-T83 VanDerWaalsContact C-N 3.34Å; G81-T83 PolarHBondContact O-N 3.03Å; G81-H84 PolarHBondContact O-N 3.29Å; G81-A85 PolarHBondContact O-N 3.18Å; G81-A85 VanDerWaalsContact O-N 3.08Å
82	K	98.1	Very high	97.1	Very high	119 Å²	119	28 Å²	28	52%	0.517	17%	0.171	S	C	.	.	H	α-helix	trans	-66.9	-33.4	-177.3	-172.9	177.3	171.7	-149.1	0	112.9	R80 A85 Q86 E319	R80-K82 PolarHBondContact O-N 2.98Å; K82-A85 PolarHBondContact O-N 3.32Å; K82-Q86 WeakPolarHBondContact O-CG 3.39Å; K82-Q86 PolarHBondContact O-N 3.15Å; K82-E319 HydrophobicContact CB-CG 4.39Å; K82-E319 HydrophobicContact CD-CG 4.41Å; K82-E319 WeakPolarHBondContact CD-OE2 3.44Å; K82-E319 VanDerWaalsContact CE-OE2 3.32Å; K82-E319 WeakPolarHBondContact CE-OE2 3.46Å; K82-E319 HydrophobicContact CG-CG 4.36Å; K82-E319 IonicContact NZ-OE2 3.83Å; K82-E319 PolarHBondContact NZ-OE2 2.7Å
83	T	98.4	Very high	97.2	Very high	1 Å²	1	27.9 Å²	27.9	1%	0.006	17%	0.171	C	C	.	.	H	α-helix	trans	-61.6	-47.5	176.1	-53.8	0	0	0	0	111	A79 R80 G81 L87 E319 A320 D326 F327	A79-T83 HydrophobicContact CB-CG2 3.95Å; R80-T83 PolarHBondContact O-N 3.44Å; G81-T83 VanDerWaalsContact C-N 3.34Å; G81-T83 PolarHBondContact O-N 3.03Å; T83-L87 HydrophobicContact CG2-CD1 4.38Å; T83-L87 WeakPolarHBondContact O-CG 3.34Å; T83-L87 PolarHBondContact O-N 2.9Å; T83-E319 WeakPolarHBondContact OG1-CG 3.31Å; T83-A320 HydrophobicContact CG2-CB 3.92Å; T83-D326 PolarHBondContact OG1-N 3.43Å; T83-F327 HydrophobicContact CG2-CE1 4.01Å; T83-F327 HydrophobicContact CG2-CE2 4.17Å; T83-F327 HydrophobicContact CG2-CZ 3.74Å
84	H	98.3	Very high	97	Very high	43 Å²	43	31.1 Å²	31.1	20%	0.199	20%	0.198	C	C	.	.	H	α-helix	trans	-60.4	-49.7	174.5	-179.4	-86	0	0	0	111.8	S76 A79 R80 G81 Q86 L87 F88 Q98	S76-H84 PolarHBondContact O-CD2 2.9Å; S76-H84 VanDerWaalsContact O-CD2 3.32Å; A79-H84 HydrophobicContact CB-CB 4.02Å; R80-H84 PolarHBondContact O-N 2.68Å; R80-H84 VanDerWaalsContact O-N 3.1Å; G81-H84 PolarHBondContact O-N 3.29Å; H84-Q86 VanDerWaalsContact C-N 3.33Å; H84-Q86 PolarHBondContact O-N 2.87Å; H84-L87 PolarHBondContact O-N 2.92Å; H84-F88 AromaticContact CE1-CD1 3.65Å; H84-F88 AromaticContact CE1-CD2 3.48Å; H84-F88 VanDerWaalsContact CE1-CD2 3.48Å; H84-F88 WeakPolarHBondContact CE1-CD2 3.46Å; H84-F88 AromaticContact CE1-CE1 3.83Å; H84-F88 AromaticContact CE1-CE2 3.71Å; H84-F88 AromaticContact CE1-CG 3.5Å; H84-F88 AromaticContact CE1-CZ 3.89Å; H84-F88 AromaticContact NE2-CD2 3.45Å; H84-F88 WeakPolarHBondContact NE2-CD2 3.23Å; H84-F88 AromaticContact NE2-CE2 3.33Å; H84-F88 VanDerWaalsContact NE2-CE2 3.33Å; H84-F88 WeakPolarHBondContact NE2-CE2 3.39Å; H84-F88 AromaticContact NE2-CG 3.97Å; H84-F88 AromaticContact NE2-CZ 3.69Å; H84-F88 PolarHBondContact O-N 2.94Å; H84-Q98 PolarHBondContact NE2-OE1 2.81Å
85	A	98.3	Very high	96.9	Very high	54 Å²	54	38.9 Å²	38.9	45%	0.446	24%	0.239	S	C	.	.	H	α-helix	trans	-59.2	-40.7	-178.1	0	0	0	0	0	112.9	G81 K82 S89	G81-A85 PolarHBondContact O-N 3.18Å; G81-A85 VanDerWaalsContact O-N 3.08Å; K82-A85 PolarHBondContact O-N 3.32Å; A85-S89 VanDerWaalsContact O-CB 3.23Å; A85-S89 WeakPolarHBondContact O-CB 3.49Å; A85-S89 PolarHBondContact O-N 2.81Å
86	Q	98.3	Very high	96.9	Very high	36 Å²	36	40.2 Å²	40.2	17%	0.168	25%	0.246	C	C	.	.	H	α-helix	trans	-66.2	-43.5	176.2	-77.3	-171.6	-20.9	0	0	112.5	K82 H84 S90 G316 T318	K82-Q86 WeakPolarHBondContact O-CG 3.39Å; K82-Q86 PolarHBondContact O-N 3.15Å; H84-Q86 VanDerWaalsContact C-N 3.33Å; H84-Q86 PolarHBondContact O-N 2.87Å; Q86-S90 VanDerWaalsContact O-CB 3.31Å; Q86-S90 WeakPolarHBondContact O-CB 3.44Å; Q86-S90 PolarHBondContact O-N 3.18Å; Q86-S90 PolarHBondContact O-OG 2.9Å; Q86-G316 WeakPolarHBondContact CG-O 3.38Å; Q86-G316 PolarHBondContact NE2-O 2.83Å; Q86-G316 PolarHBondContact OE1-O 3.35Å; Q86-T318 PolarHBondContact NE2-OG1 3.27Å; Q86-T318 VanDerWaalsContact NE2-OG1 3.08Å; Q86-T318 PolarHBondContact OE1-OG1 2.91Å
87	L	98.1	Very high	96.8	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-59.6	-48.3	175.8	-71.3	166.1	0	0	0	110.7	L72 L75 A79 T83 H84 S90 L91 I317	L72-L87 HydrophobicContact CD2-CD2 4.29Å; L75-L87 HydrophobicContact CD2-CD1 4.37Å; L75-L87 HydrophobicContact CD2-CD2 4.15Å; L75-L87 HydrophobicContact CG-CD1 4.24Å; A79-L87 HydrophobicContact CB-CD1 3.89Å; T83-L87 HydrophobicContact CG2-CD1 4.38Å; T83-L87 WeakPolarHBondContact O-CG 3.34Å; T83-L87 PolarHBondContact O-N 2.9Å; H84-L87 PolarHBondContact O-N 2.92Å; L87-S90 PolarHBondContact O-N 2.72Å; L87-L91 WeakPolarHBondContact O-CG 3.06Å; L87-L91 PolarHBondContact O-N 3.43Å; L87-I317 HydrophobicContact CD2-CD1 4.14Å; L87-I317 HydrophobicContact CD2-CG1 4.5Å; L87-I317 HydrophobicContact CD2-CG2 3.6Å; L87-I317 HydrophobicContact CG-CG2 4.31Å
88	F	97.6	Very high	96.7	Very high	8 Å²	8	46 Å²	46	4%	0.035	28%	0.275	C	S	.	.	H	α-helix	trans	-63.9	-47.6	179.5	-98.2	-128.9	0	0	0	112.6	S76 H84 S90 L91 G92 Y93 L96 Q98 V101	S76-F88 VanDerWaalsContact OG-CE2 3.26Å; S76-F88 WeakPolarHBondContact OG-CE2 3.48Å; H84-F88 AromaticContact CE1-CD1 3.65Å; H84-F88 AromaticContact CE1-CD2 3.48Å; H84-F88 VanDerWaalsContact CE1-CD2 3.48Å; H84-F88 WeakPolarHBondContact CE1-CD2 3.46Å; H84-F88 AromaticContact CE1-CE1 3.83Å; H84-F88 AromaticContact CE1-CE2 3.71Å; H84-F88 AromaticContact CE1-CG 3.5Å; H84-F88 AromaticContact CE1-CZ 3.89Å; H84-F88 AromaticContact NE2-CD2 3.45Å; H84-F88 WeakPolarHBondContact NE2-CD2 3.23Å; H84-F88 AromaticContact NE2-CE2 3.33Å; H84-F88 VanDerWaalsContact NE2-CE2 3.33Å; H84-F88 WeakPolarHBondContact NE2-CE2 3.39Å; H84-F88 AromaticContact NE2-CG 3.97Å; H84-F88 AromaticContact NE2-CZ 3.69Å; H84-F88 PolarHBondContact O-N 2.94Å; F88-S90 VanDerWaalsContact C-N 3.31Å; F88-S90 PolarHBondContact O-N 3.28Å; F88-L91 PolarHBondContact O-N 3.32Å; F88-G92 PolarHBondContact O-N 2.98Å; F88-G92 VanDerWaalsContact O-N 3.14Å; F88-Y93 VanDerWaalsContact CD1-O 3.32Å; F88-Y93 WeakPolarHBondContact CD1-O 3.35Å; F88-Y93 HydrophobicContact CE2-CD2 4.41Å; F88-Y93 PolarHBondContact O-N 3.14Å; F88-L96 WeakPolarHBondContact CE1-O 3.03Å; F88-Q98 HydrophobicContact CZ-CB 4.06Å; F88-Q98 HydrophobicContact CZ-CG 4.46Å; F88-Q98 VanDerWaalsContact CZ-OE1 3.28Å; F88-V101 HydrophobicContact CE1-CG2 4.14Å; F88-V101 HydrophobicContact CZ-CB 4.33Å; F88-V101 HydrophobicContact CZ-CG2 4.06Å
89	S	97.3	Very high	96.7	Very high	78 Å²	78	49.2 Å²	49.2	55%	0.545	30%	0.303	S	S	.	.	H	α-helix	trans	-62.3	-40.2	179.4	-172.3	0	0	0	0	111.8	A85 L91 G92	A85-S89 VanDerWaalsContact O-CB 3.23Å; A85-S89 WeakPolarHBondContact O-CB 3.49Å; A85-S89 PolarHBondContact O-N 2.81Å; S89-L91 VanDerWaalsContact C-N 3.27Å; S89-L91 PolarHBondContact O-N 3.44Å; S89-G92 PolarHBondContact O-N 3.1Å; S89-G92 VanDerWaalsContact O-N 3.14Å
90	S	96.9	Very high	96.6	Very high	22 Å²	22	54.8 Å²	54.8	15%	0.154	32%	0.323	C	S	.	.	H	α-helix	trans	-67	-30.5	-179.7	-55	0	0	0	0	112.4	F43 Q86 L87 F88 G92 M315 I317	F43-S90 WeakPolarHBondContact CD2-O 3.47Å; Q86-S90 VanDerWaalsContact O-CB 3.31Å; Q86-S90 WeakPolarHBondContact O-CB 3.44Å; Q86-S90 PolarHBondContact O-N 3.18Å; Q86-S90 PolarHBondContact O-OG 2.9Å; L87-S90 PolarHBondContact O-N 2.72Å; F88-S90 VanDerWaalsContact C-N 3.31Å; F88-S90 PolarHBondContact O-N 3.28Å; S90-G92 VanDerWaalsContact C-N 3.34Å; S90-M315 PolarHBondContact OG-O 3.14Å; S90-I317 VanDerWaalsContact OG-CG1 3.24Å; S90-I317 WeakPolarHBondContact OG-CG1 3.23Å
91	L	97.3	Very high	96.6	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	30%	0.303	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.2	-4.7	175.5	-67	170.3	0	0	0	113.6	P39 F43 L72 L87 F88 S89 Y93	P39-L91 WeakPolarHBondContact CB-O 3.31Å; F43-L91 HydrophobicContact CD1-CD2 4.45Å; F43-L91 HydrophobicContact CD2-CD2 3.99Å; F43-L91 HydrophobicContact CE1-CD2 4.49Å; F43-L91 HydrophobicContact CE2-CD2 4.03Å; F43-L91 HydrophobicContact CG-CD2 4.19Å; F43-L91 HydrophobicContact CZ-CD2 4.29Å; L72-L91 HydrophobicContact CB-CD1 3.83Å; L72-L91 HydrophobicContact CB-CD2 4.13Å; L72-L91 HydrophobicContact CB-CG 4.35Å; L72-L91 HydrophobicContact CD1-CD2 4.05Å; L87-L91 WeakPolarHBondContact O-CG 3.06Å; L87-L91 PolarHBondContact O-N 3.43Å; F88-L91 PolarHBondContact O-N 3.32Å; S89-L91 VanDerWaalsContact C-N 3.27Å; S89-L91 PolarHBondContact O-N 3.44Å; L91-Y93 HydrophobicContact CB-CD1 4.2Å; L91-Y93 HydrophobicContact CB-CD2 3.62Å; L91-Y93 HydrophobicContact CB-CE1 4.13Å; L91-Y93 HydrophobicContact CB-CE2 3.57Å; L91-Y93 HydrophobicContact CB-CG 3.92Å; L91-Y93 HydrophobicContact CD1-CD2 3.89Å; L91-Y93 HydrophobicContact CD1-CE2 3.53Å; L91-Y93 HydrophobicContact CG-CD2 4.4Å; L91-Y93 HydrophobicContact CG-CE2 4.11Å; L91-Y93 WeakPolarHBondContact O-CD1 3.44Å; L91-Y93 WeakPolarHBondContact O-CE1 3.39Å
92	G	96.8	Very high	96.5	Very high	43 Å²	43	47.1 Å²	47.1	44%	0.443	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	74.1	23.3	-174.8	0	0	0	0	0	114	F88 S89 S90	F88-G92 PolarHBondContact O-N 2.98Å; F88-G92 VanDerWaalsContact O-N 3.14Å; S89-G92 PolarHBondContact O-N 3.1Å; S89-G92 VanDerWaalsContact O-N 3.14Å; S90-G92 VanDerWaalsContact C-N 3.34Å
93	Y	97.5	Very high	96.4	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	27%	0.272	C	S	.	.			trans	-99.4	10.3	-179.4	-55.5	-22.2	0	0	0	113.6	I36 P39 N40 F88 L91 D95 L96 V101 Y105	I36-Y93 HydrophobicContact CB-CE1 4.16Å; I36-Y93 HydrophobicContact CG2-CE1 3.97Å; P39-Y93 HydrophobicContact CB-CD1 3.86Å; P39-Y93 HydrophobicContact CB-CE1 3.77Å; P39-Y93 HydrophobicContact CG-CD1 4.37Å; N40-Y93 PolarHBondContact OD1-OH 2.66Å; F88-Y93 VanDerWaalsContact CD1-O 3.32Å; F88-Y93 WeakPolarHBondContact CD1-O 3.35Å; F88-Y93 HydrophobicContact CE2-CD2 4.41Å; F88-Y93 PolarHBondContact O-N 3.14Å; L91-Y93 HydrophobicContact CB-CD1 4.2Å; L91-Y93 HydrophobicContact CB-CD2 3.62Å; L91-Y93 HydrophobicContact CB-CE1 4.13Å; L91-Y93 HydrophobicContact CB-CE2 3.57Å; L91-Y93 HydrophobicContact CB-CG 3.92Å; L91-Y93 HydrophobicContact CD1-CD2 3.89Å; L91-Y93 HydrophobicContact CD1-CE2 3.53Å; L91-Y93 HydrophobicContact CG-CD2 4.4Å; L91-Y93 HydrophobicContact CG-CE2 4.11Å; L91-Y93 WeakPolarHBondContact O-CD1 3.44Å; L91-Y93 WeakPolarHBondContact O-CE1 3.39Å; Y93-D95 PolarHBondContact O-N 3.02Å; Y93-D95 VanDerWaalsContact O-N 3.08Å; Y93-L96 HydrophobicContact CD1-CD1 4.18Å; Y93-L96 WeakPolarHBondContact O-CA 3.27Å; Y93-L96 WeakPolarHBondContact O-CB 3.44Å; Y93-L96 PolarHBondContact O-N 2.83Å; Y93-V101 HydrophobicContact CD2-CG1 3.86Å; Y93-V101 HydrophobicContact CD2-CG2 4.01Å; Y93-V101 HydrophobicContact CE2-CG1 3.71Å; Y93-V101 HydrophobicContact CG-CG2 4.05Å; Y93-Y105 HydrophobicContact CE2-CE2 4.29Å; Y93-Y105 PolarHBondContact OH-OH 2.92Å
94	A	93.5	Very high	96.3	Very high	68 Å²	68	45.4 Å²	45.4	56%	0.562	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.1	-29.9	-173.7	0	0	0	0	0	114
95	D	92.7	Very high	96.2	Very high	163 Å²	163	43.4 Å²	43.4	87%	0.872	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.5	6.6	178.1	-59	-43.9	0	0	0	113.6	Y93	Y93-D95 PolarHBondContact O-N 3.02Å; Y93-D95 VanDerWaalsContact O-N 3.08Å
96	L	95.1	Very high	96.1	Very high	31 Å²	31	42.1 Å²	42.1	16%	0.162	25%	0.249	C	C	.	.	S	Bend	trans	-114	150.1	178.2	-56.4	177.1	0	0	0	109.9	I36 F88 Y93 V101	I36-L96 HydrophobicContact CG2-CD1 4.36Å; F88-L96 WeakPolarHBondContact CE1-O 3.03Å; Y93-L96 HydrophobicContact CD1-CD1 4.18Å; Y93-L96 WeakPolarHBondContact O-CA 3.27Å; Y93-L96 WeakPolarHBondContact O-CB 3.44Å; Y93-L96 PolarHBondContact O-N 2.83Å; L96-V101 HydrophobicContact CB-CG2 3.78Å; L96-V101 HydrophobicContact CD1-CG2 3.88Å
97	D	94.2	Very high	95.9	Very high	96 Å²	96	42.5 Å²	42.5	51%	0.513	25%	0.251	S	S	.	.			trans	-88	159.7	166.9	67.1	62.3	0	0	0	111.6	A99 R100 V101	D97-A99 VanDerWaalsContact C-N 3.29Å; D97-A99 PolarHBondContact O-N 2.78Å; D97-A99 WeakPolarHBondContact OD1-CB 3.47Å; D97-A99 PolarHBondContact OD1-N 3.14Å; D97-R100 PolarHBondContact O-N 3.06Å; D97-R100 WeakPolarHBondContact OD1-CB 3.45Å; D97-R100 PolarHBondContact OD1-N 3.35Å; D97-V101 WeakPolarHBondContact O-CG2 3.35Å; D97-V101 PolarHBondContact O-N 3.38Å; D97-V101 VanDerWaalsContact O-N 3.14Å
98	Q	94.7	Very high	95.7	Very high	32 Å²	32	42.6 Å²	42.6	15%	0.15	25%	0.251	C	S	.	.	H	α-helix	trans	-61.6	-35.1	-178.3	-174.8	74.3	60.8	0	0	113	S76 T77 H84 F88 V101 N102	S76-Q98 PolarHBondContact OG-NE2 3.25Å; S76-Q98 PolarHBondContact OG-OE1 3.48Å; T77-Q98 PolarHBondContact OG1-NE2 3.35Å; H84-Q98 PolarHBondContact NE2-OE1 2.81Å; F88-Q98 HydrophobicContact CZ-CB 4.06Å; F88-Q98 HydrophobicContact CZ-CG 4.46Å; F88-Q98 VanDerWaalsContact CZ-OE1 3.28Å; Q98-V101 PolarHBondContact O-N 2.98Å; Q98-N102 PolarHBondContact NE2-OD1 3.21Å; Q98-N102 VanDerWaalsContact O-CB 3.29Å; Q98-N102 WeakPolarHBondContact O-CB 3.07Å; Q98-N102 PolarHBondContact O-N 3.1Å; Q98-N102 PolarHBondContact O-OD1 3.28Å
99	A	94.9	Very high	95.4	Very high	69 Å²	69	44 Å²	44	57%	0.57	26%	0.258	S	S	*	.	H	α-helix	trans	-67.2	-42.5	-178	0	0	0	0	0	110.9	D97 N102 E103	D97-A99 VanDerWaalsContact C-N 3.29Å; D97-A99 PolarHBondContact O-N 2.78Å; D97-A99 WeakPolarHBondContact OD1-CB 3.47Å; D97-A99 PolarHBondContact OD1-N 3.14Å; A99-N102 PolarHBondContact O-N 2.94Å; A99-E103 WeakPolarHBondContact O-CB 3.36Å; A99-E103 PolarHBondContact O-N 3.5Å
100	R	96.1	Very high	95	Very high	116 Å²	116	45.7 Å²	45.7	44%	0.438	26%	0.257	S	S	.	.	H	α-helix	trans	-66.3	-39.7	176.7	-171.3	175.1	179.2	-165.6	0.9	112.2	D97 A104	D97-R100 PolarHBondContact O-N 3.06Å; D97-R100 WeakPolarHBondContact OD1-CB 3.45Å; D97-R100 PolarHBondContact OD1-N 3.35Å; R100-A104 VanDerWaalsContact O-CB 3.32Å; R100-A104 WeakPolarHBondContact O-CB 3.42Å; R100-A104 PolarHBondContact O-N 3.39Å
101	V	97.3	Very high	94.6	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-65.2	-45.2	174	174.2	0	0	0	0	110.8	I36 S73 F88 Y93 L96 D97 Q98 E103 A104 Y105	I36-V101 HydrophobicContact CG2-CG1 4.4Å; I36-V101 HydrophobicContact CG2-CG2 4.5Å; S73-V101 WeakPolarHBondContact OG-CG1 3.44Å; F88-V101 HydrophobicContact CE1-CG2 4.14Å; F88-V101 HydrophobicContact CZ-CB 4.33Å; F88-V101 HydrophobicContact CZ-CG2 4.06Å; Y93-V101 HydrophobicContact CD2-CG1 3.86Å; Y93-V101 HydrophobicContact CD2-CG2 4.01Å; Y93-V101 HydrophobicContact CE2-CG1 3.71Å; Y93-V101 HydrophobicContact CG-CG2 4.05Å; L96-V101 HydrophobicContact CB-CG2 3.78Å; L96-V101 HydrophobicContact CD1-CG2 3.88Å; D97-V101 WeakPolarHBondContact O-CG2 3.35Å; D97-V101 PolarHBondContact O-N 3.38Å; D97-V101 VanDerWaalsContact O-N 3.14Å; Q98-V101 PolarHBondContact O-N 2.98Å; V101-E103 PolarHBondContact O-N 2.89Å; V101-A104 WeakPolarHBondContact O-CB 3.4Å; V101-A104 PolarHBondContact O-N 2.88Å; V101-Y105 HydrophobicContact CG1-CD2 3.83Å; V101-Y105 HydrophobicContact CG1-CE2 3.8Å; V101-Y105 WeakPolarHBondContact O-CD2 3.08Å; V101-Y105 PolarHBondContact O-N 3.05Å
102	N	95.8	Very high	94.1	Very high	10 Å²	10	47.1 Å²	47.1	5%	0.053	26%	0.262	C	S	.	.	H	α-helix	trans	-59.1	-48.7	176.7	-76.2	1.2	0	0	0	111.2	T77 Q98 A99 A104 Y105 T106 N146 Y147	T77-N102 PolarHBondContact OG1-OD1 3.17Å; Q98-N102 PolarHBondContact NE2-OD1 3.21Å; Q98-N102 VanDerWaalsContact O-CB 3.29Å; Q98-N102 WeakPolarHBondContact O-CB 3.07Å; Q98-N102 PolarHBondContact O-N 3.1Å; Q98-N102 PolarHBondContact O-OD1 3.28Å; A99-N102 PolarHBondContact O-N 2.94Å; N102-A104 VanDerWaalsContact C-N 3.28Å; N102-A104 PolarHBondContact O-N 3.43Å; N102-Y105 PolarHBondContact O-N 3.14Å; N102-Y105 VanDerWaalsContact O-N 3.13Å; N102-T106 PolarHBondContact O-N 3.28Å; N102-T106 PolarHBondContact O-OG1 3.39Å; N102-N146 HydrophobicContact CB-CB 4.02Å; N102-Y147 PolarHBondContact OD1-OH 3.06Å
103	E	95.8	Very high	93.2	Very high	85 Å²	85	46.8 Å²	46.8	40%	0.397	26%	0.258	S	S	.	.	H	α-helix	trans	-59.9	-38.9	177	-173.6	-177.6	-147.7	0	0	112.4	K32 A99 V101 T106 H107	K32-E103 HydrophobicContact CD-CG 3.82Å; K32-E103 WeakPolarHBondContact CD-OE1 3.31Å; K32-E103 WeakPolarHBondContact CE-OE1 3.38Å; K32-E103 IonicContact NZ-OE1 3.59Å; K32-E103 PolarHBondContact NZ-OE1 3.03Å; A99-E103 WeakPolarHBondContact O-CB 3.36Å; A99-E103 PolarHBondContact O-N 3.5Å; V101-E103 PolarHBondContact O-N 2.89Å; E103-T106 WeakPolarHBondContact O-CB 3.39Å; E103-T106 PolarHBondContact O-N 3.2Å; E103-H107 WeakPolarHBondContact O-CB 3.46Å; E103-H107 PolarHBondContact O-N 3.32Å
104	A	96.7	Very high	91.9	Very high	0 Å²	0	53.3 Å²	53.3	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-63.3	-41.2	175.6	0	0	0	0	0	111.9	K32 C33 V35 I36 R100 V101 N102 L108	K32-A104 WeakPolarHBondContact O-CB 3.24Å; C33-A104 WeakPolarHBondContact CB-O 3.19Å; V35-A104 HydrophobicContact CG2-CB 3.77Å; I36-A104 HydrophobicContact CD1-CB 3.88Å; I36-A104 HydrophobicContact CG1-CB 3.95Å; I36-A104 HydrophobicContact CG2-CB 3.88Å; R100-A104 VanDerWaalsContact O-CB 3.32Å; R100-A104 WeakPolarHBondContact O-CB 3.42Å; R100-A104 PolarHBondContact O-N 3.39Å; V101-A104 WeakPolarHBondContact O-CB 3.4Å; V101-A104 PolarHBondContact O-N 2.88Å; N102-A104 VanDerWaalsContact C-N 3.28Å; N102-A104 PolarHBondContact O-N 3.43Å; A104-L108 VanDerWaalsContact O-CB 3.27Å; A104-L108 WeakPolarHBondContact O-CB 3.29Å; A104-L108 PolarHBondContact O-N 3.34Å
105	Y	96.1	Very high	90.4	Very high	0 Å²	0	50.9 Å²	50.9	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-68.4	-39.9	174	-85.4	-69	0	0	0	112.9	I36 N40 S69 A70 S73 Y93 V101 N102 H107 L108 F109 N146 Y147	I36-Y105 HydrophobicContact CD1-CD1 3.95Å; I36-Y105 HydrophobicContact CD1-CD2 3.9Å; I36-Y105 HydrophobicContact CD1-CE1 3.85Å; I36-Y105 HydrophobicContact CD1-CE2 3.81Å; I36-Y105 HydrophobicContact CD1-CG 3.96Å; N40-Y105 PolarHBondContact ND2-OH 3.12Å; S69-Y105 WeakPolarHBondContact CB-OH 3.48Å; S69-Y105 PolarHBondContact O-OH 3.32Å; A70-Y105 HydrophobicContact CB-CD1 4.12Å; A70-Y105 HydrophobicContact CB-CE1 3.61Å; A70-Y105 PolarHBondContact N-OH 3.18Å; S73-Y105 WeakPolarHBondContact OG-CE2 3.16Å; Y93-Y105 HydrophobicContact CE2-CE2 4.29Å; Y93-Y105 PolarHBondContact OH-OH 2.92Å; V101-Y105 HydrophobicContact CG1-CD2 3.83Å; V101-Y105 HydrophobicContact CG1-CE2 3.8Å; V101-Y105 WeakPolarHBondContact O-CD2 3.08Å; V101-Y105 PolarHBondContact O-N 3.05Å; N102-Y105 PolarHBondContact O-N 3.14Å; N102-Y105 VanDerWaalsContact O-N 3.13Å; Y105-H107 VanDerWaalsContact C-N 3.32Å; Y105-H107 PolarHBondContact O-N 2.99Å; Y105-L108 PolarHBondContact O-N 3.25Å; Y105-L108 VanDerWaalsContact O-N 3.17Å; Y105-F109 HydrophobicContact CD1-CD2 4.47Å; Y105-F109 AromaticContact CD1-CE2 3.78Å; Y105-F109 HydrophobicContact CD1-CE2 3.78Å; Y105-F109 HydrophobicContact CD1-CZ 4.26Å; Y105-F109 HydrophobicContact CG-CE2 4.46Å; Y105-F109 VanDerWaalsContact O-CD2 3.25Å; Y105-F109 WeakPolarHBondContact O-CD2 3.4Å; Y105-F109 PolarHBondContact O-N 3.33Å; Y105-N146 CarbonylContact C-O 3.57Å; Y105-Y147 HydrophobicContact CD1-CD1 4.41Å; Y105-Y147 HydrophobicContact CD1-CE1 4.23Å; Y105-Y147 HydrophobicContact CD2-CD1 4.42Å; Y105-Y147 AromaticContact CD2-CE1 3.5Å; Y105-Y147 HydrophobicContact CD2-CE1 3.5Å; Y105-Y147 HydrophobicContact CE2-CE1 4.12Å; Y105-Y147 HydrophobicContact CG-CD1 4.06Å; Y105-Y147 AromaticContact CG-CE1 3.58Å; Y105-Y147 HydrophobicContact CG-CE1 3.58Å
106	T	95.1	Very high	88.9	Confident	28 Å²	28	48 Å²	48	17%	0.172	25%	0.249	C	C	.	.	H	α-helix	trans	-55	-51.1	173.5	-51.6	0	0	0	0	110.3	N102 E103 Q110 N146	N102-T106 PolarHBondContact O-N 3.28Å; N102-T106 PolarHBondContact O-OG1 3.39Å; E103-T106 WeakPolarHBondContact O-CB 3.39Å; E103-T106 PolarHBondContact O-N 3.2Å; T106-Q110 WeakPolarHBondContact O-CB 3.49Å; T106-Q110 VanDerWaalsContact O-CG 3.22Å; T106-Q110 WeakPolarHBondContact O-CG 3.25Å; T106-Q110 PolarHBondContact O-N 3.09Å; T106-Q110 VanDerWaalsContact O-N 3.09Å; T106-N146 WeakPolarHBondContact CA-O 3.45Å; T106-N146 PolarHBondContact N-O 3.14Å; T106-N146 VanDerWaalsContact OG1-CA 3.27Å; T106-N146 WeakPolarHBondContact OG1-CA 3.46Å; T106-N146 PolarHBondContact OG1-OD1 2.62Å
107	H	94.8	Very high	87.3	Confident	44 Å²	44	55.4 Å²	55.4	20%	0.204	28%	0.283	C	S	.	.	H	α-helix	trans	-64.2	-41.2	178.1	-174.4	-103	0	0	0	111.9	K32 C33 E103 Y105 Q110 M111	K32-H107 HydrophobicContact CB-CB 4.05Å; C33-H107 HydrophobicContact CB-CB 4.41Å; C33-H107 PolarHBondContact N-ND1 2.55Å; C33-H107 PolarHBondContact SG-ND1 2.79Å; E103-H107 WeakPolarHBondContact O-CB 3.46Å; E103-H107 PolarHBondContact O-N 3.32Å; Y105-H107 VanDerWaalsContact C-N 3.32Å; Y105-H107 PolarHBondContact O-N 2.99Å; H107-Q110 PolarHBondContact O-N 3.33Å; H107-M111 VanDerWaalsContact O-CG 3.32Å; H107-M111 WeakPolarHBondContact O-CG 3.07Å; H107-M111 PolarHBondContact O-N 3.41Å
108	L	94.2	Very high	85.8	Confident	1 Å²	1	56.3 Å²	56.3	1%	0.005	28%	0.284	C	S	.	.	H	α-helix	trans	-59.8	-49.9	178.4	-176.8	146.9	0	0	0	111.6	C33 I36 L66 A104 Y105 Q110 M111 L112 T388	C33-L108 HydrophobicContact CB-CB 3.74Å; C33-L108 HydrophobicContact CB-CD1 4.47Å; C33-L108 HydrophobicContact CB-CG 4.5Å; I36-L108 HydrophobicContact CD1-CD1 4.06Å; L66-L108 HydrophobicContact CD1-CD1 3.79Å; L66-L108 HydrophobicContact CD1-CD2 4.05Å; L66-L108 HydrophobicContact CD2-CD2 4.31Å; A104-L108 VanDerWaalsContact O-CB 3.27Å; A104-L108 WeakPolarHBondContact O-CB 3.29Å; A104-L108 PolarHBondContact O-N 3.34Å; Y105-L108 PolarHBondContact O-N 3.25Å; Y105-L108 VanDerWaalsContact O-N 3.17Å; L108-Q110 VanDerWaalsContact C-N 3.35Å; L108-Q110 PolarHBondContact O-N 2.9Å; L108-M111 PolarHBondContact O-N 2.93Å; L108-L112 HydrophobicContact CD2-CD1 3.51Å; L108-L112 HydrophobicContact CD2-CG 4.16Å; L108-L112 HydrophobicContact CG-CD1 4.42Å; L108-L112 WeakPolarHBondContact O-CG 3.28Å; L108-L112 PolarHBondContact O-N 3.07Å; L108-T388 HydrophobicContact CG-CG2 4.34Å
109	F	90.4	Very high	84.8	Confident	39 Å²	39	55 Å²	55	17%	0.171	28%	0.277	C	S	.	.	H	α-helix	trans	-70.1	-31.3	-178.8	-72.6	-55.7	0	0	0	112.9	A70 Y105 L112 G113 L123 Y147	A70-F109 HydrophobicContact CB-CE2 4.25Å; A70-F109 HydrophobicContact CB-CZ 3.75Å; Y105-F109 HydrophobicContact CD1-CD2 4.47Å; Y105-F109 AromaticContact CD1-CE2 3.78Å; Y105-F109 HydrophobicContact CD1-CE2 3.78Å; Y105-F109 HydrophobicContact CD1-CZ 4.26Å; Y105-F109 HydrophobicContact CG-CE2 4.46Å; Y105-F109 VanDerWaalsContact O-CD2 3.25Å; Y105-F109 WeakPolarHBondContact O-CD2 3.4Å; Y105-F109 PolarHBondContact O-N 3.33Å; F109-L112 HydrophobicContact CD1-CD1 4.33Å; F109-L112 PolarHBondContact O-N 2.71Å; F109-G113 PolarHBondContact O-N 2.64Å; F109-L123 HydrophobicContact CE1-CD1 4.18Å; F109-L123 HydrophobicContact CE1-CD2 3.49Å; F109-L123 VanDerWaalsContact CE1-CD2 3.49Å; F109-L123 HydrophobicContact CE1-CG 4.36Å; F109-L123 HydrophobicContact CZ-CD2 3.88Å; F109-Y147 HydrophobicContact CE2-CD1 4.21Å
110	Q	89.3	Confident	83.8	Confident	112 Å²	112	56.2 Å²	56.2	52%	0.523	27%	0.27	S	S	.	.	H	α-helix	trans	-60.2	-45.8	169.7	-74.7	171.1	-5.5	0	0	111.4	T106 H107 L108 G113 Q114	T106-Q110 WeakPolarHBondContact O-CB 3.49Å; T106-Q110 VanDerWaalsContact O-CG 3.22Å; T106-Q110 WeakPolarHBondContact O-CG 3.25Å; T106-Q110 PolarHBondContact O-N 3.09Å; T106-Q110 VanDerWaalsContact O-N 3.09Å; H107-Q110 PolarHBondContact O-N 3.33Å; L108-Q110 VanDerWaalsContact C-N 3.35Å; L108-Q110 PolarHBondContact O-N 2.9Å; Q110-G113 PolarHBondContact O-N 3.45Å; Q110-Q114 WeakPolarHBondContact O-CG 3.27Å; Q110-Q114 PolarHBondContact O-N 3.02Å
111	M	88.8	Confident	83.1	Confident	46 Å²	46	50.9 Å²	50.9	23%	0.227	25%	0.25	C	S	.	.	H	α-helix	trans	-65.1	-44.1	177.6	-68.3	-60	-63.4	0	0	112.1	H107 L108 G113 Q114 S115 T388	H107-M111 VanDerWaalsContact O-CG 3.32Å; H107-M111 WeakPolarHBondContact O-CG 3.07Å; H107-M111 PolarHBondContact O-N 3.41Å; L108-M111 PolarHBondContact O-N 2.93Å; M111-G113 PolarHBondContact O-N 2.91Å; M111-Q114 PolarHBondContact O-N 2.55Å; M111-S115 PolarHBondContact O-N 2.68Å; M111-T388 HydrophobicContact CB-CG2 3.74Å; M111-T388 HydrophobicContact CG-CG2 4.34Å
112	L	86.1	Confident	82.3	Confident	7 Å²	7	52.8 Å²	52.8	4%	0.037	26%	0.259	C	S	.	.	H	α-helix	trans	-65.7	-38.3	177.3	-67.4	-177	0	0	0	112.3	L66 L108 F109 Q114 S115 Q116 L121 E385	L66-L112 HydrophobicContact CD2-CD1 3.86Å; L108-L112 HydrophobicContact CD2-CD1 3.51Å; L108-L112 HydrophobicContact CD2-CG 4.16Å; L108-L112 HydrophobicContact CG-CD1 4.42Å; L108-L112 WeakPolarHBondContact O-CG 3.28Å; L108-L112 PolarHBondContact O-N 3.07Å; F109-L112 HydrophobicContact CD1-CD1 4.33Å; F109-L112 PolarHBondContact O-N 2.71Å; L112-Q114 VanDerWaalsContact C-N 3.33Å; L112-Q114 PolarHBondContact O-N 2.94Å; L112-S115 WeakPolarHBondContact O-CB 3.19Å; L112-S115 PolarHBondContact O-N 3.39Å; L112-S115 VanDerWaalsContact O-N 3.14Å; L112-S115 PolarHBondContact O-OG 3.4Å; L112-Q116 PolarHBondContact O-N 3.49Å; L112-L121 HydrophobicContact CB-CD2 4.47Å; L112-L121 HydrophobicContact CD1-CD2 4.32Å; L112-L121 HydrophobicContact CD2-CD2 4.21Å; L112-E385 HydrophobicContact CD2-CB 4.26Å; L112-E385 HydrophobicContact CD2-CG 3.74Å
113	G	78.8	Confident	81.7	Confident	35 Å²	35	53.8 Å²	53.8	36%	0.361	26%	0.264	S	S	.	.	H	α-helix	trans	-62.8	-37.2	177	0	0	0	0	0	112.9	F109 Q110 M111 S115 Q116	F109-G113 PolarHBondContact O-N 2.64Å; Q110-G113 PolarHBondContact O-N 3.45Å; M111-G113 PolarHBondContact O-N 2.91Å; G113-S115 VanDerWaalsContact C-N 3.27Å; G113-S115 PolarHBondContact O-N 3.19Å; G113-Q116 WeakPolarHBondContact O-CB 3.5Å; G113-Q116 PolarHBondContact O-N 3.26Å
114	Q	69.1	Low	81.2	Confident	138 Å²	138	50.1 Å²	50.1	65%	0.645	25%	0.249	S	C	*	.	H	α-helix	trans	-64.1	-32.9	174.1	-70.2	174.7	11	0	0	112.3	Q110 M111 L112 Q116	Q110-Q114 WeakPolarHBondContact O-CG 3.27Å; Q110-Q114 PolarHBondContact O-N 3.02Å; M111-Q114 PolarHBondContact O-N 2.55Å; L112-Q114 VanDerWaalsContact C-N 3.33Å; L112-Q114 PolarHBondContact O-N 2.94Å; Q114-Q116 VanDerWaalsContact C-N 3.26Å; Q114-Q116 PolarHBondContact O-N 2.91Å
115	S	62.5	Low	80.7	Confident	17 Å²	17	50.2 Å²	50.2	12%	0.119	25%	0.25	C	C	.	.	H	α-helix	trans	-71.8	-15.7	177.5	82.2	0	0	0	0	114.2	M111 L112 G113 Q117 E118 Q119	M111-S115 PolarHBondContact O-N 2.68Å; L112-S115 WeakPolarHBondContact O-CB 3.19Å; L112-S115 PolarHBondContact O-N 3.39Å; L112-S115 VanDerWaalsContact O-N 3.14Å; L112-S115 PolarHBondContact O-OG 3.4Å; G113-S115 VanDerWaalsContact C-N 3.27Å; G113-S115 PolarHBondContact O-N 3.19Å; S115-Q117 PolarHBondContact O-N 2.86Å; S115-Q117 VanDerWaalsContact O-N 3.14Å; S115-E118 PolarHBondContact O-N 3.5Å; S115-E118 VanDerWaalsContact O-N 3.14Å; S115-Q119 PolarHBondContact O-N 3.2Å
116	Q	62.4	Low	80.5	Confident	102 Å²	102	50.2 Å²	50.2	48%	0.477	25%	0.25	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.4	-18.1	-175.6	-75.2	-174.1	-5.8	0	0	114.3	L112 G113 Q114 E118 Q119 L121	L112-Q116 PolarHBondContact O-N 3.49Å; G113-Q116 WeakPolarHBondContact O-CB 3.5Å; G113-Q116 PolarHBondContact O-N 3.26Å; Q114-Q116 VanDerWaalsContact C-N 3.26Å; Q114-Q116 PolarHBondContact O-N 2.91Å; Q116-E118 PolarHBondContact O-N 3.31Å; Q116-Q119 CarbonylContact C-O 3.54Å; Q116-Q119 WeakPolarHBondContact CA-O 3.2Å; Q116-L121 PolarHBondContact NE2-O 3.46Å
117	Q	60.1	Low	80.3	Confident	187 Å²	187	48.9 Å²	48.9	87%	0.874	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.3	-26.6	176.4	-65.7	-170.1	-1.1	0	0	112.4	S115	S115-Q117 PolarHBondContact O-N 2.86Å; S115-Q117 VanDerWaalsContact O-N 3.14Å
118	E	64.1	Low	80.3	Confident	114 Å²	114	46.8 Å²	46.8	53%	0.533	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-108	-18.9	-177.4	-59.7	-175.5	169.2	0	0	112.8	S115 Q116 G255	S115-E118 PolarHBondContact O-N 3.5Å; S115-E118 VanDerWaalsContact O-N 3.14Å; Q116-E118 PolarHBondContact O-N 3.31Å; E118-G255 WeakPolarHBondContact OE2-CA 3.31Å; E118-G255 PolarHBondContact OE2-N 3.34Å
119	Q	71.8	Confident	80.2	Confident	4 Å²	4	46.8 Å²	46.8	2%	0.019	23%	0.232	C	C	.	.	S	Bend	trans	-137.9	140.8	-177.3	-59.8	178.1	1.4	0	0	111.9	S115 Q116 L121 F199 K254 T257	S115-Q119 PolarHBondContact O-N 3.2Å; Q116-Q119 CarbonylContact C-O 3.54Å; Q116-Q119 WeakPolarHBondContact CA-O 3.2Å; Q119-L121 PolarHBondContact O-N 2.85Å; Q119-L121 VanDerWaalsContact O-N 3.14Å; Q119-F199 HydrophobicContact CB-CE2 4.25Å; Q119-K254 VanDerWaalsContact CD-O 3.31Å; Q119-K254 WeakPolarHBondContact CG-O 3.25Å; Q119-K254 PolarHBondContact NE2-O 3.18Å; Q119-T257 PolarHBondContact NE2-OG1 3.24Å; Q119-T257 VanDerWaalsContact NE2-OG1 3.13Å; Q119-T257 PolarHBondContact OE1-OG1 3.47Å
120	K	74.1	Confident	80.3	Confident	96 Å²	96	48.6 Å²	48.6	42%	0.417	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	86.1	172	-64.6	-174.5	179.1	-173.8	0	109.9	F199 R200	K120-F199 WeakPolarHBondContact O-CA 3.39Å; K120-R200 HydrophobicContact CB-CB 4.32Å; K120-R200 PolarHBondContact N-O 3.05Å; K120-R200 VanDerWaalsContact N-O 3.13Å; K120-R200 PolarHBondContact O-N 2.71Å
121	L	81.4	Confident	80.5	Confident	4 Å²	4	47.3 Å²	47.3	2%	0.021	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	106.4	170.3	178.2	62.1	0	0	0	109.9	L112 Q116 Q119 V197 F199 I392 F393	L112-L121 HydrophobicContact CB-CD2 4.47Å; L112-L121 HydrophobicContact CD1-CD2 4.32Å; L112-L121 HydrophobicContact CD2-CD2 4.21Å; Q116-L121 PolarHBondContact NE2-O 3.46Å; Q119-L121 PolarHBondContact O-N 2.85Å; Q119-L121 VanDerWaalsContact O-N 3.14Å; L121-V197 HydrophobicContact CD1-CG1 4.27Å; L121-F199 HydrophobicContact CB-CD2 4Å; L121-F199 HydrophobicContact CD1-CB 4.09Å; L121-F199 HydrophobicContact CD1-CD2 3.83Å; L121-F199 HydrophobicContact CD1-CG 4.39Å; L121-F199 HydrophobicContact CG-CD2 4.45Å; L121-I392 HydrophobicContact CD1-CG2 3.92Å; L121-I392 HydrophobicContact CD2-CD1 3.93Å; L121-F393 HydrophobicContact CD1-CE2 4.49Å
122	H	80.3	Confident	80.5	Confident	40 Å²	40	49 Å²	49	19%	0.185	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	93.8	171.6	-65.6	-93.1	0	0	0	108.6	K173 V197 Y198	H122-K173 PolarHBondContact ND1-O 3.28Å; H122-V197 CarbonylContact O-C 3.46Å; H122-V197 WeakPolarHBondContact O-CA 3.24Å; H122-Y198 HydrophobicContact CB-CD1 4.37Å; H122-Y198 AromaticContact CD2-CD1 3.73Å; H122-Y198 PolarHBondContact N-O 2.84Å; H122-Y198 PolarHBondContact O-N 2.96Å
123	L	83.8	Confident	80.7	Confident	30 Å²	30	48.8 Å²	48.8	16%	0.157	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	122	171.7	-172.5	166.5	0	0	0	107.4	L66 F109 V197	L66-L123 HydrophobicContact CD2-CD1 3.76Å; L66-L123 HydrophobicContact CG-CD1 3.99Å; F109-L123 HydrophobicContact CE1-CD1 4.18Å; F109-L123 HydrophobicContact CE1-CD2 3.49Å; F109-L123 VanDerWaalsContact CE1-CD2 3.49Å; F109-L123 HydrophobicContact CE1-CG 4.36Å; F109-L123 HydrophobicContact CZ-CD2 3.88Å; L123-V197 HydrophobicContact CB-CG1 4.06Å; L123-V197 HydrophobicContact CD1-CG1 4.43Å; L123-V197 HydrophobicContact CG-CG1 4.1Å; L123-V197 HydrophobicContact CG-CG2 4.04Å
124	G	85.2	Confident	81.3	Confident	8 Å²	8	52.2 Å²	52.2	8%	0.082	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	151.7	177.4	0	0	0	0	0	113	N195 Y196	G124-N195 PolarHBondContact O-ND2 3.24Å; G124-Y196 PolarHBondContact N-O 3.37Å; G124-Y196 PolarHBondContact O-N 3.26Å; G124-Y196 VanDerWaalsContact O-N 3.12Å
125	N	87.5	Confident	82.5	Confident	3 Å²	3	46.5 Å²	46.5	2%	0.016	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	138.2	175.9	-60.4	-61.6	0	0	0	108.4	G67 A70 A71 M74 G149 E150 I194 N195	G67-N125 PolarHBondContact O-OD1 2.95Å; A70-N125 WeakPolarHBondContact CB-ND2 3.34Å; A71-N125 WeakPolarHBondContact CB-OD1 3.28Å; M74-N125 HydrophobicContact CE-CB 3.82Å; M74-N125 HydrophobicContact SD-CB 3.86Å; N125-G149 VanDerWaalsContact O-CA 3.28Å; N125-G149 WeakPolarHBondContact O-CA 3.41Å; N125-E150 PolarHBondContact O-N 3.4Å; N125-E150 VanDerWaalsContact O-N 3.16Å; N125-I194 WeakPolarHBondContact CA-O 3.24Å; N125-N195 PolarHBondContact OD1-ND2 2.88Å
126	S	91.1	Very high	84.1	Confident	0 Å²	0	48.2 Å²	48.2	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	153.5	173.1	-52.8	0	0	0	0	111.6	E150 H169 I194	S126-E150 CarbonylContact C-O 3.59Å; S126-E150 WeakPolarHBondContact CA-O 3.21Å; S126-E150 WeakPolarHBondContact CB-O 3.28Å; S126-H169 PolarHBondContact OG-NE2 2.99Å; S126-I194 PolarHBondContact N-O 3.08Å; S126-I194 PolarHBondContact O-N 3.5Å
127	V	91.6	Very high	85.7	Confident	0 Å²	0	49.5 Å²	49.5	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	114.7	173.4	-171.7	0	0	0	0	108	M74 V129 E150 V151 F152 L191 L193	M74-V127 HydrophobicContact CE-CG2 3.31Å; M74-V127 HydrophobicContact SD-CG2 4.18Å; V127-V129 HydrophobicContact CG1-CG1 3.84Å; V127-E150 PolarHBondContact N-O 3.25Å; V127-V151 HydrophobicContact CB-CG1 4.37Å; V127-V151 HydrophobicContact CB-CG2 4.21Å; V127-V151 HydrophobicContact CG2-CG2 4.47Å; V127-V151 WeakPolarHBondContact O-CA 3.23Å; V127-F152 PolarHBondContact O-N 2.96Å; V127-L191 HydrophobicContact CG1-CD1 4.13Å; V127-L191 HydrophobicContact CG1-CD2 4.09Å; V127-L191 HydrophobicContact CG1-CG 3.77Å; V127-L193 HydrophobicContact CG2-CD1 4.08Å
128	A	93.5	Very high	87.3	Confident	0 Å²	0	43.8 Å²	43.8	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	120.5	168	0	0	0	0	0	108.4	F152 V154 F156 I166 L191 V192 I194	A128-F152 WeakPolarHBondContact CA-O 3.5Å; A128-F152 HydrophobicContact CB-CE1 4.19Å; A128-F152 HydrophobicContact CB-CE2 3.9Å; A128-F152 HydrophobicContact CB-CZ 3.73Å; A128-V154 HydrophobicContact CB-CG2 3.84Å; A128-F156 HydrophobicContact CB-CZ 4.11Å; A128-I166 HydrophobicContact CB-CD1 4.03Å; A128-I166 HydrophobicContact CB-CG1 4.19Å; A128-L191 WeakPolarHBondContact O-CA 3.27Å; A128-V192 HydrophobicContact CB-CB 4.27Å; A128-V192 PolarHBondContact N-O 3.12Å; A128-V192 PolarHBondContact O-N 3.19Å; A128-I194 HydrophobicContact CB-CD1 4.14Å
129	V	93.4	Very high	88.8	Confident	1 Å²	1	38.5 Å²	38.5	1%	0.006	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	153.8	177.5	-61.4	0	0	0	0	111	V127 L133 P135 V151 F152 K153 V154	V127-V129 HydrophobicContact CG1-CG1 3.84Å; V129-L133 HydrophobicContact CB-CB 4.47Å; V129-L133 HydrophobicContact CB-CD2 3.69Å; V129-L133 HydrophobicContact CG1-CD2 3.9Å; V129-L133 HydrophobicContact CG2-CD2 4.26Å; V129-P135 HydrophobicContact CG1-CG 4.5Å; V129-P135 HydrophobicContact CG2-CG 4.04Å; V129-V151 HydrophobicContact CG1-CG1 4.01Å; V129-V151 HydrophobicContact CG2-CG1 4.19Å; V129-F152 WeakPolarHBondContact CG2-O 3.4Å; V129-F152 PolarHBondContact N-O 3.08Å; V129-K153 HydrophobicContact CG2-CG 4.03Å; V129-K153 CarbonylContact O-C 3.41Å; V129-K153 VanDerWaalsContact O-CA 3.31Å; V129-K153 WeakPolarHBondContact O-CA 3.33Å; V129-V154 PolarHBondContact O-N 3.44Å
130	R	92.3	Very high	89.9	Confident	76 Å²	76	40.7 Å²	40.7	29%	0.287	21%	0.212	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.3	144.3	178.2	-160.3	172.3	69.7	-175.5	6.8	111.6	D132 L133 V154 F156 A190	R130-D132 VanDerWaalsContact C-N 3.27Å; R130-D132 VanDerWaalsContact CG-OD1 3.26Å; R130-D132 WeakPolarHBondContact CG-OD1 3.25Å; R130-D132 IonicContact CZ-OD1 2.71Å; R130-D132 IonicContact CZ-OD2 3.37Å; R130-D132 IonicContact NE-OD1 2.82Å; R130-D132 PolarHBondContact NE-OD1 2.83Å; R130-D132 IonicContact NE-OD2 3.91Å; R130-D132 PolarHBondContact NE-OD2 3.35Å; R130-D132 IonicContact NH2-OD1 3.99Å; R130-D132 PolarHBondContact NH2-OD1 2.98Å; R130-D132 IonicContact NH2-OD2 3.99Å; R130-D132 PolarHBondContact NH2-OD2 2.98Å; R130-D132 PolarHBondContact O-N 2.93Å; R130-L133 VanDerWaalsContact O-CB 3.22Å; R130-L133 WeakPolarHBondContact O-CB 3.09Å; R130-L133 PolarHBondContact O-N 3.4Å; R130-V154 CarbonylContact C-O 3.57Å; R130-V154 WeakPolarHBondContact CA-O 3.4Å; R130-F156 HydrophobicContact CB-CD2 4.08Å; R130-F156 HydrophobicContact CB-CE2 4.37Å; R130-F156 HydrophobicContact CG-CD2 4.13Å; R130-A190 PolarHBondContact N-O 3.12Å
131	I	92.7	Very high	90.8	Very high	85 Å²	85	38.8 Å²	38.8	44%	0.436	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.1	-32.6	-171.2	-164.9	62.4	0	0	0	115.3	K153 V154 D155	I131-K153 HydrophobicContact CD1-CB 3.75Å; I131-K153 HydrophobicContact CD1-CD 4.45Å; I131-V154 PolarHBondContact N-O 3.29Å; I131-D155 HydrophobicContact CB-CB 4.28Å; I131-D155 HydrophobicContact CG2-CB 4.25Å
132	D	89.8	Confident	91.4	Very high	82 Å²	82	41.5 Å²	41.5	44%	0.439	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85	-8.9	178.8	65.5	-23.9	0	0	0	113.3	R130	R130-D132 VanDerWaalsContact C-N 3.27Å; R130-D132 VanDerWaalsContact CG-OD1 3.26Å; R130-D132 WeakPolarHBondContact CG-OD1 3.25Å; R130-D132 IonicContact CZ-OD1 2.71Å; R130-D132 IonicContact CZ-OD2 3.37Å; R130-D132 IonicContact NE-OD1 2.82Å; R130-D132 PolarHBondContact NE-OD1 2.83Å; R130-D132 IonicContact NE-OD2 3.91Å; R130-D132 PolarHBondContact NE-OD2 3.35Å; R130-D132 IonicContact NH2-OD1 3.99Å; R130-D132 PolarHBondContact NH2-OD1 2.98Å; R130-D132 IonicContact NH2-OD2 3.99Å; R130-D132 PolarHBondContact NH2-OD2 2.98Å; R130-D132 PolarHBondContact O-N 2.93Å
133	L	90.3	Very high	92	Very high	2 Å²	2	39.6 Å²	39.6	1%	0.01	22%	0.215	C	C	.	.			trans	-76.7	132.8	176.5	-167.1	72.8	0	0	0	110.2	V129 R130 P135 K153 I330 S331 I334 L336	V129-L133 HydrophobicContact CB-CB 4.47Å; V129-L133 HydrophobicContact CB-CD2 3.69Å; V129-L133 HydrophobicContact CG1-CD2 3.9Å; V129-L133 HydrophobicContact CG2-CD2 4.26Å; R130-L133 VanDerWaalsContact O-CB 3.22Å; R130-L133 WeakPolarHBondContact O-CB 3.09Å; R130-L133 PolarHBondContact O-N 3.4Å; L133-P135 HydrophobicContact CD2-CG 4.34Å; L133-P135 WeakPolarHBondContact O-CD 3.44Å; L133-K153 WeakPolarHBondContact O-CE 3.43Å; L133-K153 PolarHBondContact O-NZ 2.93Å; L133-I330 HydrophobicContact CD2-CG2 4.43Å; L133-S331 WeakPolarHBondContact CD1-OG 3.33Å; L133-I334 HydrophobicContact CD1-CB 3.68Å; L133-I334 HydrophobicContact CD1-CD1 3.72Å; L133-I334 HydrophobicContact CD1-CG1 4.22Å; L133-I334 HydrophobicContact CD1-CG2 4.05Å; L133-L336 HydrophobicContact CD1-CD1 4.32Å; L133-L336 HydrophobicContact CD1-CD2 3.86Å; L133-L336 HydrophobicContact CD1-CG 4.45Å; L133-L336 HydrophobicContact CD2-CD1 3.8Å; L133-L336 HydrophobicContact CD2-CD2 3.88Å; L133-L336 HydrophobicContact CD2-CG 4.47Å
134	N	91.6	Very high	92.4	Very high	108 Å²	108	43.5 Å²	43.5	58%	0.578	23%	0.232	S	C	*	.			trans	-110.5	98.5	167.2	-66.4	-48	0	0	0	108.9	K153	N134-K153 PolarHBondContact OD1-NZ 3.41Å
135	P	93.8	Very high	92.7	Very high	18 Å²	18	47.9 Å²	47.9	12%	0.117	25%	0.254	C	S	.	.			trans	-61.6	146.7	176.5	-22.9	33.7	0	0	0	111.8	V129 L133 Q137 Y139 L140 V151 I330	V129-P135 HydrophobicContact CG1-CG 4.5Å; V129-P135 HydrophobicContact CG2-CG 4.04Å; L133-P135 HydrophobicContact CD2-CG 4.34Å; L133-P135 WeakPolarHBondContact O-CD 3.44Å; P135-Q137 PolarHBondContact O-N 3.31Å; P135-Y139 HydrophobicContact CB-CD1 4.41Å; P135-L140 HydrophobicContact CB-CD1 4.49Å; P135-L140 HydrophobicContact CB-CD2 3.9Å; P135-L140 HydrophobicContact CB-CG 4.13Å; P135-L140 HydrophobicContact CG-CD2 4.31Å; P135-V151 HydrophobicContact CG-CG1 4.14Å; P135-I330 CarbonylContact C-O 3.35Å; P135-I330 WeakPolarHBondContact CA-O 3.14Å; P135-I330 HydrophobicContact CB-CG2 4.3Å
136	L	95.8	Very high	92.9	Very high	53 Å²	53	49 Å²	49	28%	0.277	26%	0.26	S	S	.	.			trans	-59.3	137.3	175.2	-65.3	-177	0	0	0	110.8	A138 Y139 L140 I330 E332	L136-A138 PolarHBondContact O-N 3.33Å; L136-Y139 WeakPolarHBondContact O-CB 3.46Å; L136-Y139 PolarHBondContact O-N 3.46Å; L136-L140 PolarHBondContact O-N 3.09Å; L136-I330 PolarHBondContact N-O 2.95Å; L136-E332 HydrophobicContact CD1-CG 4.1Å; L136-E332 HydrophobicContact CD2-CG 4.26Å
137	Q	95.5	Very high	92.9	Very high	129 Å²	129	49.3 Å²	49.3	60%	0.603	26%	0.261	S	S	*	.	H	α-helix	trans	-59.3	-35.7	-178.4	-173.9	57.4	58.7	0	0	112.5	P135 Y139 L140 T141	P135-Q137 PolarHBondContact O-N 3.31Å; Q137-Y139 VanDerWaalsContact C-N 3.34Å; Q137-Y139 PolarHBondContact O-N 2.77Å; Q137-L140 PolarHBondContact O-N 2.82Å; Q137-T141 PolarHBondContact NE2-OG1 2.83Å; Q137-T141 WeakPolarHBondContact O-CB 3.44Å; Q137-T141 PolarHBondContact O-N 2.98Å; Q137-T141 PolarHBondContact O-OG1 3.49Å; Q137-T141 VanDerWaalsContact O-OG1 3.09Å
138	A	94.8	Very high	92.7	Very high	67 Å²	67	51.7 Å²	51.7	55%	0.554	29%	0.285	S	S	*	.	H	α-helix	trans	-58.8	-45.1	176	0	0	0	0	0	111.7	L136 T141 D142	L136-A138 PolarHBondContact O-N 3.33Å; A138-T141 PolarHBondContact O-N 2.94Å; A138-D142 PolarHBondContact O-N 3.04Å
139	Y	94.6	Very high	92.4	Very high	3 Å²	3	51.8 Å²	51.8	1%	0.012	29%	0.286	C	S	.	.	H	α-helix	trans	-63.4	-45.2	177.3	177.1	-104.2	0	0	0	112	T77 P135 L136 Q137 T141 D142 I143 V151 A329 I330	T77-Y139 HydrophobicContact CG2-CD2 4.33Å; P135-Y139 HydrophobicContact CB-CD1 4.41Å; L136-Y139 WeakPolarHBondContact O-CB 3.46Å; L136-Y139 PolarHBondContact O-N 3.46Å; Q137-Y139 VanDerWaalsContact C-N 3.34Å; Q137-Y139 PolarHBondContact O-N 2.77Å; Y139-T141 VanDerWaalsContact C-N 3.3Å; Y139-T141 PolarHBondContact O-N 2.94Å; Y139-D142 PolarHBondContact O-N 2.86Å; Y139-I143 HydrophobicContact CD1-CG1 4.32Å; Y139-I143 HydrophobicContact CD2-CD1 3.96Å; Y139-I143 HydrophobicContact CD2-CG1 4.22Å; Y139-I143 HydrophobicContact CE1-CG1 3.92Å; Y139-I143 HydrophobicContact CE2-CD1 3.54Å; Y139-I143 HydrophobicContact CE2-CG1 3.81Å; Y139-I143 HydrophobicContact CG-CG1 4.46Å; Y139-I143 VanDerWaalsContact O-CG1 3.31Å; Y139-I143 WeakPolarHBondContact O-CG1 3.28Å; Y139-I143 PolarHBondContact O-N 2.87Å; Y139-V151 HydrophobicContact CE1-CG2 4.02Å; Y139-A329 WeakPolarHBondContact CB-O 3.44Å; Y139-I330 HydrophobicContact CD1-CG1 4.27Å; Y139-I330 HydrophobicContact CD1-CG2 4.19Å; Y139-I330 HydrophobicContact CD2-CG1 4.05Å; Y139-I330 HydrophobicContact CE1-CD1 4.28Å; Y139-I330 HydrophobicContact CE1-CG1 4.12Å; Y139-I330 HydrophobicContact CE1-CG2 4.18Å; Y139-I330 HydrophobicContact CE2-CD1 4.14Å; Y139-I330 HydrophobicContact CE2-CG1 3.88Å; Y139-I330 HydrophobicContact CG-CG1 4.23Å
140	L	94.4	Very high	92.2	Very high	50 Å²	50	54.4 Å²	54.4	26%	0.262	30%	0.298	S	S	.	.	H	α-helix	trans	-58.4	-44.2	176.2	-63.2	177.9	0	0	0	111.6	P135 L136 Q137 Q144 V151	P135-L140 HydrophobicContact CB-CD1 4.49Å; P135-L140 HydrophobicContact CB-CD2 3.9Å; P135-L140 HydrophobicContact CB-CG 4.13Å; P135-L140 HydrophobicContact CG-CD2 4.31Å; L136-L140 PolarHBondContact O-N 3.09Å; Q137-L140 PolarHBondContact O-N 2.82Å; L140-Q144 WeakPolarHBondContact O-CB 3.48Å; L140-Q144 PolarHBondContact O-N 2.92Å; L140-Q144 VanDerWaalsContact O-N 3.08Å; L140-V151 HydrophobicContact CD2-CB 3.55Å; L140-V151 HydrophobicContact CD2-CG1 3.83Å; L140-V151 HydrophobicContact CD2-CG2 3.82Å
141	T	94.3	Very high	92.2	Very high	56 Å²	56	52.4 Å²	52.4	34%	0.344	29%	0.294	S	S	.	.	H	α-helix	trans	-65.2	-42.7	178.3	-65.4	0	0	0	0	111.9	Q137 A138 Y139 Q144 N145	Q137-T141 PolarHBondContact NE2-OG1 2.83Å; Q137-T141 WeakPolarHBondContact O-CB 3.44Å; Q137-T141 PolarHBondContact O-N 2.98Å; Q137-T141 PolarHBondContact O-OG1 3.49Å; Q137-T141 VanDerWaalsContact O-OG1 3.09Å; A138-T141 PolarHBondContact O-N 2.94Å; Y139-T141 VanDerWaalsContact C-N 3.3Å; Y139-T141 PolarHBondContact O-N 2.94Å; T141-Q144 PolarHBondContact O-N 2.9Å; T141-N145 VanDerWaalsContact CG2-ND2 3.31Å; T141-N145 WeakPolarHBondContact CG2-ND2 3.43Å; T141-N145 VanDerWaalsContact O-CB 3.24Å; T141-N145 WeakPolarHBondContact O-CB 3.31Å; T141-N145 PolarHBondContact O-N 3.17Å; T141-N145 PolarHBondContact O-ND2 2.78Å
142	D	93.2	Very high	92.3	Very high	61 Å²	61	49.9 Å²	49.9	33%	0.326	28%	0.28	S	S	.	.	H	α-helix	trans	-66.1	-40.2	178.6	-74.9	-23.5	0	0	0	112.5	T77 A138 Y139 N146	T77-D142 HydrophobicContact CG2-CB 3.69Å; A138-D142 PolarHBondContact O-N 3.04Å; Y139-D142 PolarHBondContact O-N 2.86Å; D142-N146 VanDerWaalsContact O-CB 3.28Å; D142-N146 WeakPolarHBondContact O-CB 3.43Å; D142-N146 PolarHBondContact O-N 3.34Å; D142-N146 PolarHBondContact O-ND2 2.98Å
143	I	92.9	Very high	92.5	Very high	0 Å²	0	49.6 Å²	49.6	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-65	-46.8	178.1	-67.2	-11.7	0	0	0	110.6	M74 T77 Y139 Y147 G148 G149 V151	M74-I143 HydrophobicContact CB-CD1 4.41Å; M74-I143 HydrophobicContact CG-CB 4.26Å; M74-I143 HydrophobicContact CG-CD1 3.43Å; M74-I143 VanDerWaalsContact CG-CD1 3.43Å; M74-I143 HydrophobicContact CG-CG1 3.67Å; M74-I143 HydrophobicContact CG-CG2 3.85Å; M74-I143 HydrophobicContact SD-CB 4.5Å; M74-I143 HydrophobicContact SD-CG1 4.34Å; M74-I143 HydrophobicContact SD-CG2 3.48Å; M74-I143 WeakPolarHBondContact SD-CG2 3.3Å; T77-I143 HydrophobicContact CG2-CD1 4.26Å; Y139-I143 HydrophobicContact CD1-CG1 4.32Å; Y139-I143 HydrophobicContact CD2-CD1 3.96Å; Y139-I143 HydrophobicContact CD2-CG1 4.22Å; Y139-I143 HydrophobicContact CE1-CG1 3.92Å; Y139-I143 HydrophobicContact CE2-CD1 3.54Å; Y139-I143 HydrophobicContact CE2-CG1 3.81Å; Y139-I143 HydrophobicContact CG-CG1 4.46Å; Y139-I143 VanDerWaalsContact O-CG1 3.31Å; Y139-I143 WeakPolarHBondContact O-CG1 3.28Å; Y139-I143 PolarHBondContact O-N 2.87Å; I143-Y147 HydrophobicContact CD1-CD2 4.38Å; I143-Y147 WeakPolarHBondContact O-CB 3.12Å; I143-Y147 PolarHBondContact O-N 3.14Å; I143-Y147 VanDerWaalsContact O-N 3.12Å; I143-G148 PolarHBondContact O-N 3.08Å; I143-G149 PolarHBondContact O-N 3Å; I143-V151 HydrophobicContact CB-CG2 4.44Å; I143-V151 HydrophobicContact CG1-CG2 4.39Å; I143-V151 HydrophobicContact CG2-CG2 4.17Å
144	Q	92	Very high	92.7	Very high	111 Å²	111	49.5 Å²	49.5	52%	0.519	27%	0.274	S	S	.	.	H	α-helix	trans	-63	-47.4	179.2	-172.6	70.8	40.3	0	0	111.5	L140 T141 G148 G149	L140-Q144 WeakPolarHBondContact O-CB 3.48Å; L140-Q144 PolarHBondContact O-N 2.92Å; L140-Q144 VanDerWaalsContact O-N 3.08Å; T141-Q144 PolarHBondContact O-N 2.9Å; Q144-G148 WeakPolarHBondContact O-CA 3.35Å; Q144-G148 PolarHBondContact O-N 3.3Å; Q144-G149 PolarHBondContact OE1-O 2.89Å
145	N	91.7	Very high	92.8	Very high	101 Å²	101	47.4 Å²	47.4	54%	0.54	26%	0.263	S	S	.	.	H	α-helix	trans	-76.1	-37.6	-172.1	-71.4	-13.7	0	0	0	113.2	T141	T141-N145 VanDerWaalsContact CG2-ND2 3.31Å; T141-N145 WeakPolarHBondContact CG2-ND2 3.43Å; T141-N145 VanDerWaalsContact O-CB 3.24Å; T141-N145 WeakPolarHBondContact O-CB 3.31Å; T141-N145 PolarHBondContact O-N 3.17Å; T141-N145 PolarHBondContact O-ND2 2.78Å
146	N	92.7	Very high	92.9	Very high	27 Å²	27	46.6 Å²	46.6	14%	0.144	26%	0.258	C	S	.	.	H	α-helix	trans	-98.1	-29.5	-171.1	-54.6	-53.5	0	0	0	113.7	N102 Y105 T106 D142	N102-N146 HydrophobicContact CB-CB 4.02Å; Y105-N146 CarbonylContact C-O 3.57Å; T106-N146 WeakPolarHBondContact CA-O 3.45Å; T106-N146 PolarHBondContact N-O 3.14Å; T106-N146 VanDerWaalsContact OG1-CA 3.27Å; T106-N146 WeakPolarHBondContact OG1-CA 3.46Å; T106-N146 PolarHBondContact OG1-OD1 2.62Å; D142-N146 VanDerWaalsContact O-CB 3.28Å; D142-N146 WeakPolarHBondContact O-CB 3.43Å; D142-N146 PolarHBondContact O-N 3.34Å; D142-N146 PolarHBondContact O-ND2 2.98Å
147	Y	90.7	Very high	92.8	Very high	6 Å²	6	48.1 Å²	48.1	2%	0.024	27%	0.273	C	S	.	.	H	α-helix	trans	-115.3	-9.3	-174.3	-60.8	-87.2	0	0	0	113.2	S73 M74 N102 Y105 F109 I143 G149	S73-Y147 WeakPolarHBondContact CB-OH 3.42Å; S73-Y147 PolarHBondContact O-OH 3.02Å; S73-Y147 PolarHBondContact OG-OH 3.43Å; M74-Y147 HydrophobicContact CB-CD1 4.07Å; M74-Y147 HydrophobicContact CB-CD2 4.15Å; M74-Y147 HydrophobicContact CB-CE1 4.29Å; M74-Y147 HydrophobicContact CB-CE2 4.38Å; M74-Y147 HydrophobicContact CB-CG 4Å; M74-Y147 HydrophobicContact CG-CD2 4.2Å; M74-Y147 HydrophobicContact CG-CG 4.22Å; N102-Y147 PolarHBondContact OD1-OH 3.06Å; Y105-Y147 HydrophobicContact CD1-CD1 4.41Å; Y105-Y147 HydrophobicContact CD1-CE1 4.23Å; Y105-Y147 HydrophobicContact CD2-CD1 4.42Å; Y105-Y147 AromaticContact CD2-CE1 3.5Å; Y105-Y147 HydrophobicContact CD2-CE1 3.5Å; Y105-Y147 HydrophobicContact CE2-CE1 4.12Å; Y105-Y147 HydrophobicContact CG-CD1 4.06Å; Y105-Y147 AromaticContact CG-CE1 3.58Å; Y105-Y147 HydrophobicContact CG-CE1 3.58Å; F109-Y147 HydrophobicContact CE2-CD1 4.21Å; I143-Y147 HydrophobicContact CD1-CD2 4.38Å; I143-Y147 WeakPolarHBondContact O-CB 3.12Å; I143-Y147 PolarHBondContact O-N 3.14Å; I143-Y147 VanDerWaalsContact O-N 3.12Å; Y147-G149 PolarHBondContact O-N 3.45Å; Y147-G149 VanDerWaalsContact O-N 3.12Å
148	G	86.8	Confident	92.7	Very high	50 Å²	50	45.2 Å²	45.2	52%	0.515	26%	0.262	S	S	.	.			trans	56.1	22.9	-166.7	0	0	0	0	0	112.1	I143 Q144	I143-G148 PolarHBondContact O-N 3.08Å; Q144-G148 WeakPolarHBondContact O-CA 3.35Å; Q144-G148 PolarHBondContact O-N 3.3Å
149	G	86.9	Confident	92.6	Very high	1 Å²	1	43.8 Å²	43.8	1%	0.01	25%	0.247	C	C	.	.			trans	-83	163	-174.8	0	0	0	0	0	111.6	N125 I143 Q144 Y147	N125-G149 VanDerWaalsContact O-CA 3.28Å; N125-G149 WeakPolarHBondContact O-CA 3.41Å; I143-G149 PolarHBondContact O-N 3Å; Q144-G149 PolarHBondContact OE1-O 2.89Å; Y147-G149 PolarHBondContact O-N 3.45Å; Y147-G149 VanDerWaalsContact O-N 3.12Å
150	E	90.2	Very high	92.5	Very high	56 Å²	56	47.6 Å²	47.6	26%	0.262	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	134	-179	-67.1	-179.5	-177	0	0	110.8	N125 S126 V127 H169 K173	N125-E150 PolarHBondContact O-N 3.4Å; N125-E150 VanDerWaalsContact O-N 3.16Å; S126-E150 CarbonylContact C-O 3.59Å; S126-E150 WeakPolarHBondContact CA-O 3.21Å; S126-E150 WeakPolarHBondContact CB-O 3.28Å; V127-E150 PolarHBondContact N-O 3.25Å; E150-H169 IonicContact OE2-CE1 2.71Å; E150-H169 PolarHBondContact OE2-CE1 3.13Å; E150-H169 IonicContact OE2-NE2 3.26Å; E150-H169 PolarHBondContact OE2-NE2 3.35Å; E150-K173 IonicContact OE1-NZ 3.24Å; E150-K173 PolarHBondContact OE1-NZ 3.41Å; E150-K173 WeakPolarHBondContact OE2-CE 3.4Å; E150-K173 IonicContact OE2-NZ 2.66Å; E150-K173 PolarHBondContact OE2-NZ 3.49Å
151	V	92.2	Very high	92.5	Very high	35 Å²	35	50.6 Å²	50.6	21%	0.212	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	123.2	171.8	-175.2	0	0	0	0	107.6	V127 V129 P135 Y139 L140 I143	V127-V151 HydrophobicContact CB-CG1 4.37Å; V127-V151 HydrophobicContact CB-CG2 4.21Å; V127-V151 HydrophobicContact CG2-CG2 4.47Å; V127-V151 WeakPolarHBondContact O-CA 3.23Å; V129-V151 HydrophobicContact CG1-CG1 4.01Å; V129-V151 HydrophobicContact CG2-CG1 4.19Å; P135-V151 HydrophobicContact CG-CG1 4.14Å; Y139-V151 HydrophobicContact CE1-CG2 4.02Å; L140-V151 HydrophobicContact CD2-CB 3.55Å; L140-V151 HydrophobicContact CD2-CG1 3.83Å; L140-V151 HydrophobicContact CD2-CG2 3.82Å; I143-V151 HydrophobicContact CB-CG2 4.44Å; I143-V151 HydrophobicContact CG1-CG2 4.39Å; I143-V151 HydrophobicContact CG2-CG2 4.17Å
152	F	93.4	Very high	92.6	Very high	31 Å²	31	48 Å²	48	14%	0.136	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	154.7	-179.1	65.9	-82.3	0	0	0	110.8	V127 A128 V129 V154 I166 H169 I194	V127-F152 PolarHBondContact O-N 2.96Å; A128-F152 WeakPolarHBondContact CA-O 3.5Å; A128-F152 HydrophobicContact CB-CE1 4.19Å; A128-F152 HydrophobicContact CB-CE2 3.9Å; A128-F152 HydrophobicContact CB-CZ 3.73Å; V129-F152 WeakPolarHBondContact CG2-O 3.4Å; V129-F152 PolarHBondContact N-O 3.08Å; F152-V154 HydrophobicContact CD2-CG2 3.55Å; F152-V154 HydrophobicContact CE2-CG2 3.33Å; F152-V154 HydrophobicContact CZ-CG2 4.42Å; F152-I166 HydrophobicContact CE2-CG1 3.97Å; F152-I166 HydrophobicContact CZ-CG1 3.98Å; F152-H169 AromaticContact CD1-NE2 3.99Å; F152-H169 AromaticContact CE1-CD2 3.66Å; F152-H169 AromaticContact CE1-NE2 3.76Å; F152-H169 HydrophobicContact CZ-CB 4.35Å; F152-H169 AromaticContact CZ-CD2 3.99Å; F152-I194 HydrophobicContact CE1-CD1 4.26Å; F152-I194 HydrophobicContact CZ-CD1 3.98Å
153	K	94.4	Very high	92.7	Very high	76 Å²	76	46.2 Å²	46.2	33%	0.33	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96	137.3	-175.1	-63.3	-170.4	177.2	-156.8	0	110.1	V129 I131 L133 N134	V129-K153 HydrophobicContact CG2-CG 4.03Å; V129-K153 CarbonylContact O-C 3.41Å; V129-K153 VanDerWaalsContact O-CA 3.31Å; V129-K153 WeakPolarHBondContact O-CA 3.33Å; I131-K153 HydrophobicContact CD1-CB 3.75Å; I131-K153 HydrophobicContact CD1-CD 4.45Å; L133-K153 WeakPolarHBondContact O-CE 3.43Å; L133-K153 PolarHBondContact O-NZ 2.93Å; N134-K153 PolarHBondContact OD1-NZ 3.41Å
154	V	94.8	Very high	92.8	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	137	-179.4	-179.8	0	0	0	0	109.5	A128 V129 R130 I131 F152 F156 A162 I166	A128-V154 HydrophobicContact CB-CG2 3.84Å; V129-V154 PolarHBondContact O-N 3.44Å; R130-V154 CarbonylContact C-O 3.57Å; R130-V154 WeakPolarHBondContact CA-O 3.4Å; I131-V154 PolarHBondContact N-O 3.29Å; F152-V154 HydrophobicContact CD2-CG2 3.55Å; F152-V154 HydrophobicContact CE2-CG2 3.33Å; F152-V154 HydrophobicContact CZ-CG2 4.42Å; V154-F156 HydrophobicContact CB-CE1 4.15Å; V154-F156 HydrophobicContact CB-CE2 4.44Å; V154-F156 HydrophobicContact CB-CZ 4.07Å; V154-F156 HydrophobicContact CG1-CD1 4.09Å; V154-F156 HydrophobicContact CG1-CE1 3.92Å; V154-F156 HydrophobicContact CG1-CZ 4.35Å; V154-F156 PolarHBondContact O-N 3.4Å; V154-A162 HydrophobicContact CG1-CB 3.41Å; V154-A162 VanDerWaalsContact CG1-CB 3.41Å; V154-I166 HydrophobicContact CG1-CD1 4.46Å; V154-I166 HydrophobicContact CG2-CD1 4.45Å; V154-I166 HydrophobicContact CG2-CG1 4.14Å
155	D	94.6	Very high	92.9	Very high	64 Å²	64	45.5 Å²	45.5	34%	0.342	27%	0.271	S	S	.	.			trans	-83.4	90.4	171.9	-174.6	3.3	0	0	0	110.9	I131 S157 N158	I131-D155 HydrophobicContact CB-CB 4.28Å; I131-D155 HydrophobicContact CG2-CB 4.25Å; D155-S157 VanDerWaalsContact CG-OG 3.28Å; D155-S157 PolarHBondContact O-N 2.83Å; D155-S157 VanDerWaalsContact OD1-CB 3.24Å; D155-S157 WeakPolarHBondContact OD1-CB 2.99Å; D155-S157 PolarHBondContact OD1-N 2.95Å; D155-S157 PolarHBondContact OD1-OG 3.11Å; D155-S157 PolarHBondContact OD2-OG 3.09Å; D155-N158 PolarHBondContact O-N 3.24Å
156	F	94.4	Very high	93.1	Very high	1 Å²	1	40.7 Å²	40.7	0%	0.004	25%	0.246	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66	-16.1	177.4	-63.7	-62.5	0	0	0	113.4	A128 R130 V154 N158 P159 A162 I166 L185 P187 M189 V192	A128-F156 HydrophobicContact CB-CZ 4.11Å; R130-F156 HydrophobicContact CB-CD2 4.08Å; R130-F156 HydrophobicContact CB-CE2 4.37Å; R130-F156 HydrophobicContact CG-CD2 4.13Å; V154-F156 HydrophobicContact CB-CE1 4.15Å; V154-F156 HydrophobicContact CB-CE2 4.44Å; V154-F156 HydrophobicContact CB-CZ 4.07Å; V154-F156 HydrophobicContact CG1-CD1 4.09Å; V154-F156 HydrophobicContact CG1-CE1 3.92Å; V154-F156 HydrophobicContact CG1-CZ 4.35Å; V154-F156 PolarHBondContact O-N 3.4Å; F156-N158 PolarHBondContact O-N 3.29Å; F156-P159 WeakPolarHBondContact O-CD 3.28Å; F156-A162 HydrophobicContact CD1-CB 4.2Å; F156-I166 HydrophobicContact CE1-CD1 4.13Å; F156-L185 HydrophobicContact CD1-CD1 4.11Å; F156-L185 HydrophobicContact CE1-CD1 4.09Å; F156-L185 HydrophobicContact CE1-CD2 4.33Å; F156-P187 WeakPolarHBondContact O-CA 3.32Å; F156-M189 HydrophobicContact CD1-CB 4.31Å; F156-M189 HydrophobicContact CD2-CB 4.26Å; F156-M189 WeakPolarHBondContact CD2-O 3.47Å; F156-M189 HydrophobicContact CG-CB 4.15Å; F156-V192 HydrophobicContact CE1-CG2 3.92Å; F156-V192 HydrophobicContact CZ-CB 4.46Å; F156-V192 HydrophobicContact CZ-CG2 3.79Å
157	S	93.5	Very high	93.2	Very high	86 Å²	86	40.2 Å²	40.2	60%	0.601	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.7	-18.4	177.8	78.7	0	0	0	0	113.1	D155 P159	D155-S157 VanDerWaalsContact CG-OG 3.28Å; D155-S157 PolarHBondContact O-N 2.83Å; D155-S157 VanDerWaalsContact OD1-CB 3.24Å; D155-S157 WeakPolarHBondContact OD1-CB 2.99Å; D155-S157 PolarHBondContact OD1-N 2.95Å; D155-S157 PolarHBondContact OD1-OG 3.11Å; D155-S157 PolarHBondContact OD2-OG 3.09Å; S157-P159 WeakPolarHBondContact O-CD 3.41Å
158	N	93.8	Very high	93.4	Very high	67 Å²	67	47.8 Å²	47.8	36%	0.358	27%	0.271	S	S	.	.	S	Bend	trans	-113.9	80.5	167.6	-171.3	0.2	0	0	0	111.1	D155 F156 A160 E161 A162	D155-N158 PolarHBondContact O-N 3.24Å; F156-N158 PolarHBondContact O-N 3.29Å; N158-A160 VanDerWaalsContact C-N 3.28Å; N158-A160 PolarHBondContact O-N 3.05Å; N158-A160 VanDerWaalsContact O-N 3.14Å; N158-E161 HydrophobicContact CB-CB 4.22Å; N158-E161 WeakPolarHBondContact ND2-CB 3.5Å; N158-E161 PolarHBondContact ND2-OE2 2.83Å; N158-E161 PolarHBondContact O-N 3.37Å; N158-E161 VanDerWaalsContact O-N 3.1Å; N158-A162 PolarHBondContact O-N 3.4Å
159	P	93.2	Very high	93.7	Very high	38 Å²	38	47 Å²	47	25%	0.247	25%	0.254	C	S	.	.	H	α-helix	trans	-55.6	-36.5	-172.4	-29.5	35.7	0	0	0	115	F156 S157 A162 V163 L185 P187	F156-P159 WeakPolarHBondContact O-CD 3.28Å; S157-P159 WeakPolarHBondContact O-CD 3.41Å; P159-A162 PolarHBondContact O-N 2.86Å; P159-V163 WeakPolarHBondContact O-CB 3.25Å; P159-V163 VanDerWaalsContact O-CG2 3.27Å; P159-V163 WeakPolarHBondContact O-CG2 3.24Å; P159-V163 PolarHBondContact O-N 2.69Å; P159-L185 HydrophobicContact CB-CB 4.4Å; P159-P187 HydrophobicContact CG-CG 3.73Å
160	A	92.9	Very high	93.9	Very high	82 Å²	82	47 Å²	47	68%	0.678	25%	0.254	S	S	*	.	H	α-helix	trans	-66.1	-40.9	-179.2	0	0	0	0	0	111.9	N158 G164	N158-A160 VanDerWaalsContact C-N 3.28Å; N158-A160 PolarHBondContact O-N 3.05Å; N158-A160 VanDerWaalsContact O-N 3.14Å; A160-G164 PolarHBondContact O-N 3.01Å
161	E	94.8	Very high	94	Very high	113 Å²	113	44.8 Å²	44.8	53%	0.528	25%	0.245	S	C	.	.	H	α-helix	trans	-71.6	-42	175.9	-175	167.8	-163.7	0	0	111.4	N158 V163 G164 E165	N158-E161 HydrophobicContact CB-CB 4.22Å; N158-E161 WeakPolarHBondContact ND2-CB 3.5Å; N158-E161 PolarHBondContact ND2-OE2 2.83Å; N158-E161 PolarHBondContact O-N 3.37Å; N158-E161 VanDerWaalsContact O-N 3.1Å; E161-V163 PolarHBondContact O-N 2.92Å; E161-G164 CarbonylContact O-C 3.6Å; E161-G164 WeakPolarHBondContact O-CA 3.3Å; E161-G164 PolarHBondContact O-N 2.85Å; E161-G164 VanDerWaalsContact O-N 3.09Å; E161-E165 PolarHBondContact O-N 3.37Å
162	A	95.2	Very high	94	Very high	1 Å²	1	47.1 Å²	47.1	1%	0.008	26%	0.263	C	S	.	.	H	α-helix	trans	-57.9	-44.1	175.7	0	0	0	0	0	112.7	V154 F156 N158 P159 G164 E165 I166 L185	V154-A162 HydrophobicContact CG1-CB 3.41Å; V154-A162 VanDerWaalsContact CG1-CB 3.41Å; F156-A162 HydrophobicContact CD1-CB 4.2Å; N158-A162 PolarHBondContact O-N 3.4Å; P159-A162 PolarHBondContact O-N 2.86Å; A162-G164 VanDerWaalsContact C-N 3.35Å; A162-E165 PolarHBondContact O-N 3.32Å; A162-I166 PolarHBondContact O-N 2.96Å; A162-L185 HydrophobicContact CB-CD1 3.65Å
163	V	95.1	Very high	93.6	Very high	24 Å²	24	48.9 Å²	48.9	15%	0.145	27%	0.271	C	S	.	.	H	α-helix	trans	-58.2	-48.8	173.1	165.9	0	0	0	0	110.1	P159 E161 E165 I166 N167 V182 L185	P159-V163 WeakPolarHBondContact O-CB 3.25Å; P159-V163 VanDerWaalsContact O-CG2 3.27Å; P159-V163 WeakPolarHBondContact O-CG2 3.24Å; P159-V163 PolarHBondContact O-N 2.69Å; E161-V163 PolarHBondContact O-N 2.92Å; V163-E165 VanDerWaalsContact C-N 3.32Å; V163-E165 PolarHBondContact O-N 3.49Å; V163-I166 PolarHBondContact O-N 3.02Å; V163-N167 VanDerWaalsContact O-CB 3.25Å; V163-N167 WeakPolarHBondContact O-CB 3.08Å; V163-N167 PolarHBondContact O-N 3.42Å; V163-N167 PolarHBondContact O-ND2 3.47Å; V163-V182 WeakPolarHBondContact CG1-O 3.16Å; V163-V182 HydrophobicContact CG2-CG1 4.26Å; V163-L185 HydrophobicContact CB-CD1 4.48Å; V163-L185 HydrophobicContact CG2-CB 4.35Å; V163-L185 HydrophobicContact CG2-CD1 3.71Å; V163-L185 HydrophobicContact CG2-CG 3.83Å
164	G	95.1	Very high	93.2	Very high	28 Å²	28	45.2 Å²	45.2	29%	0.289	26%	0.255	S	S	.	.	H	α-helix	trans	-63.9	-33.1	179.1	0	0	0	0	0	114	A160 E161 A162 R168	A160-G164 PolarHBondContact O-N 3.01Å; E161-G164 CarbonylContact O-C 3.6Å; E161-G164 WeakPolarHBondContact O-CA 3.3Å; E161-G164 PolarHBondContact O-N 2.85Å; E161-G164 VanDerWaalsContact O-N 3.09Å; A162-G164 VanDerWaalsContact C-N 3.35Å; G164-R168 VanDerWaalsContact O-CB 3.3Å; G164-R168 WeakPolarHBondContact O-CB 3.49Å; G164-R168 VanDerWaalsContact O-CG 3.24Å; G164-R168 WeakPolarHBondContact O-CG 3.31Å; G164-R168 PolarHBondContact O-N 2.94Å; G164-R168 VanDerWaalsContact O-N 3.11Å; G164-R168 PolarHBondContact O-NE 3.07Å
165	E	95.4	Very high	92.8	Very high	69 Å²	69	50.4 Å²	50.4	32%	0.322	28%	0.279	S	S	.	.	H	α-helix	trans	-69.1	-51.9	174.9	-171.2	177.6	168.9	0	0	111.8	E161 A162 V163 N167 R168 H169	E161-E165 PolarHBondContact O-N 3.37Å; A162-E165 PolarHBondContact O-N 3.32Å; V163-E165 VanDerWaalsContact C-N 3.32Å; V163-E165 PolarHBondContact O-N 3.49Å; E165-N167 VanDerWaalsContact C-N 3.34Å; E165-N167 PolarHBondContact O-N 3.49Å; E165-R168 PolarHBondContact O-N 3.43Å; E165-H169 PolarHBondContact O-N 2.91Å
166	I	94.2	Very high	92.5	Very high	0 Å²	0	52.1 Å²	52.1	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-59.7	-45.5	178.8	-73.4	164.6	0	0	0	111	A128 F152 V154 F156 A162 V163 H169 V170 I181 V182 L185 I194	A128-I166 HydrophobicContact CB-CD1 4.03Å; A128-I166 HydrophobicContact CB-CG1 4.19Å; F152-I166 HydrophobicContact CE2-CG1 3.97Å; F152-I166 HydrophobicContact CZ-CG1 3.98Å; V154-I166 HydrophobicContact CG1-CD1 4.46Å; V154-I166 HydrophobicContact CG2-CD1 4.45Å; V154-I166 HydrophobicContact CG2-CG1 4.14Å; F156-I166 HydrophobicContact CE1-CD1 4.13Å; A162-I166 PolarHBondContact O-N 2.96Å; V163-I166 PolarHBondContact O-N 3.02Å; I166-H169 WeakPolarHBondContact O-CB 3.45Å; I166-H169 PolarHBondContact O-N 3.19Å; I166-V170 WeakPolarHBondContact O-CG2 3.46Å; I166-V170 PolarHBondContact O-N 3Å; I166-I181 HydrophobicContact CG2-CG2 4.12Å; I166-V182 HydrophobicContact CG2-CB 4.37Å; I166-V182 HydrophobicContact CG2-CG2 3.76Å; I166-L185 HydrophobicContact CD1-CD1 3.77Å; I166-I194 HydrophobicContact CG1-CD1 4.28Å; I166-I194 HydrophobicContact CG2-CD1 3.56Å; I166-I194 HydrophobicContact CG2-CG1 4.47Å
167	N	94.9	Very high	92.2	Very high	16 Å²	16	57 Å²	57	9%	0.086	31%	0.31	C	S	.	.	H	α-helix	trans	-66.1	-40.2	179.8	-79.6	-14.5	0	0	0	112.3	V163 E165 V170 A171 K179 I181 V182	V163-N167 VanDerWaalsContact O-CB 3.25Å; V163-N167 WeakPolarHBondContact O-CB 3.08Å; V163-N167 PolarHBondContact O-N 3.42Å; V163-N167 PolarHBondContact O-ND2 3.47Å; E165-N167 VanDerWaalsContact C-N 3.34Å; E165-N167 PolarHBondContact O-N 3.49Å; N167-V170 PolarHBondContact O-N 3.22Å; N167-A171 VanDerWaalsContact O-CB 3.24Å; N167-A171 WeakPolarHBondContact O-CB 3.29Å; N167-A171 PolarHBondContact O-N 3.49Å; N167-K179 WeakPolarHBondContact CB-O 3.5Å; N167-K179 VanDerWaalsContact CG-O 3.26Å; N167-I181 VanDerWaalsContact OD1-CG2 3.28Å; N167-I181 WeakPolarHBondContact OD1-CG2 3.45Å; N167-I181 PolarHBondContact OD1-N 3.49Å; N167-V182 PolarHBondContact ND2-O 3.44Å; N167-V182 PolarHBondContact OD1-N 3.3Å; N167-V182 VanDerWaalsContact OD1-N 3.14Å
168	R	95.2	Very high	91.8	Very high	165 Å²	165	53 Å²	53	62%	0.623	28%	0.281	S	S	*	.	H	α-helix	trans	-63.5	-40.5	173.3	-82	179.6	-65.1	169.1	1.4	112.3	G164 E165 A171 S172	G164-R168 VanDerWaalsContact O-CB 3.3Å; G164-R168 WeakPolarHBondContact O-CB 3.49Å; G164-R168 VanDerWaalsContact O-CG 3.24Å; G164-R168 WeakPolarHBondContact O-CG 3.31Å; G164-R168 PolarHBondContact O-N 2.94Å; G164-R168 VanDerWaalsContact O-N 3.11Å; G164-R168 PolarHBondContact O-NE 3.07Å; E165-R168 PolarHBondContact O-N 3.43Å; R168-A171 PolarHBondContact O-N 2.88Å; R168-S172 WeakPolarHBondContact O-CB 3.5Å; R168-S172 PolarHBondContact O-N 2.82Å
169	H	92.9	Very high	91.6	Very high	34 Å²	34	55 Å²	55	16%	0.157	29%	0.287	C	S	.	.	H	α-helix	trans	-57	-54.6	175.8	-179.1	79.5	0	0	0	110.6	S126 E150 F152 E165 I166 A171 S172 K173	S126-H169 PolarHBondContact OG-NE2 2.99Å; E150-H169 IonicContact OE2-CE1 2.71Å; E150-H169 PolarHBondContact OE2-CE1 3.13Å; E150-H169 IonicContact OE2-NE2 3.26Å; E150-H169 PolarHBondContact OE2-NE2 3.35Å; F152-H169 AromaticContact CD1-NE2 3.99Å; F152-H169 AromaticContact CE1-CD2 3.66Å; F152-H169 AromaticContact CE1-NE2 3.76Å; F152-H169 HydrophobicContact CZ-CB 4.35Å; F152-H169 AromaticContact CZ-CD2 3.99Å; E165-H169 PolarHBondContact O-N 2.91Å; I166-H169 WeakPolarHBondContact O-CB 3.45Å; I166-H169 PolarHBondContact O-N 3.19Å; H169-A171 PolarHBondContact O-N 2.88Å; H169-S172 PolarHBondContact O-N 3.35Å; H169-S172 PolarHBondContact O-OG 3.48Å; H169-K173 WeakPolarHBondContact O-CG 3.49Å; H169-K173 PolarHBondContact O-N 3.3Å
170	V	91.4	Very high	91.4	Very high	0 Å²	0	58 Å²	58	0%	0	30%	0.301	C	S	.	.	H	α-helix	trans	-64.5	-40.4	-179.9	176.4	0	0	0	0	112.4	I166 N167 S172 K173 T174 I178 I181 I194 Y196	I166-V170 WeakPolarHBondContact O-CG2 3.46Å; I166-V170 PolarHBondContact O-N 3Å; N167-V170 PolarHBondContact O-N 3.22Å; V170-S172 VanDerWaalsContact C-N 3.3Å; V170-S172 PolarHBondContact O-N 2.81Å; V170-K173 PolarHBondContact O-N 3Å; V170-T174 HydrophobicContact CG1-CG2 4.2Å; V170-T174 WeakPolarHBondContact O-CB 3.18Å; V170-T174 WeakPolarHBondContact O-CG2 3.32Å; V170-T174 PolarHBondContact O-N 3.34Å; V170-T174 PolarHBondContact O-OG1 2.95Å; V170-I178 HydrophobicContact CG1-CB 3.93Å; V170-I178 HydrophobicContact CG1-CG2 3.53Å; V170-I181 HydrophobicContact CB-CG2 4.02Å; V170-I181 HydrophobicContact CG1-CB 4.5Å; V170-I181 HydrophobicContact CG1-CD1 4.25Å; V170-I181 HydrophobicContact CG1-CG2 4.22Å; V170-I181 HydrophobicContact CG2-CD1 4.43Å; V170-I181 HydrophobicContact CG2-CG2 3.73Å; V170-I194 HydrophobicContact CG2-CG2 3.84Å; V170-Y196 HydrophobicContact CB-CD1 4.34Å; V170-Y196 HydrophobicContact CG1-CD1 3.84Å; V170-Y196 HydrophobicContact CG1-CD2 4.47Å; V170-Y196 HydrophobicContact CG1-CG 3.78Å; V170-Y196 HydrophobicContact CG2-CD1 3.76Å; V170-Y196 HydrophobicContact CG2-CE1 4.12Å
171	A	92.4	Very high	91.1	Very high	10 Å²	10	54.1 Å²	54.1	8%	0.083	27%	0.268	C	S	.	.	H	α-helix	trans	-59.3	-41.8	176.1	0	0	0	0	0	111.8	N167 R168 H169 K173 T174 Q175 D176 I178	N167-A171 VanDerWaalsContact O-CB 3.24Å; N167-A171 WeakPolarHBondContact O-CB 3.29Å; N167-A171 PolarHBondContact O-N 3.49Å; R168-A171 PolarHBondContact O-N 2.88Å; H169-A171 PolarHBondContact O-N 2.88Å; A171-K173 VanDerWaalsContact C-N 3.31Å; A171-K173 PolarHBondContact O-N 2.95Å; A171-T174 CarbonylContact O-C 3.39Å; A171-T174 PolarHBondContact O-N 3.2Å; A171-T174 PolarHBondContact O-OG1 2.98Å; A171-Q175 PolarHBondContact O-N 3.36Å; A171-D176 PolarHBondContact O-N 3.4Å; A171-I178 WeakPolarHBondContact CA-O 3.38Å; A171-I178 PolarHBondContact N-O 2.91Å
172	S	91.4	Very high	90.8	Very high	84 Å²	84	48.8 Å²	48.8	59%	0.587	24%	0.244	S	C	*	.	H	α-helix	trans	-62.4	-37.3	178	79.8	0	0	0	0	112.7	R168 H169 V170	R168-S172 WeakPolarHBondContact O-CB 3.5Å; R168-S172 PolarHBondContact O-N 2.82Å; H169-S172 PolarHBondContact O-N 3.35Å; H169-S172 PolarHBondContact O-OG 3.48Å; V170-S172 VanDerWaalsContact C-N 3.3Å; V170-S172 PolarHBondContact O-N 2.81Å
173	K	85.9	Confident	90.4	Very high	68 Å²	68	55.1 Å²	55.1	30%	0.296	27%	0.271	S	S	.	.	H	α-helix	trans	-77.2	-24.1	-179.5	-59.9	-66.3	-178.6	176.6	0	113.1	H122 E150 H169 V170 A171 Y196	H122-K173 PolarHBondContact ND1-O 3.28Å; E150-K173 IonicContact OE1-NZ 3.24Å; E150-K173 PolarHBondContact OE1-NZ 3.41Å; E150-K173 WeakPolarHBondContact OE2-CE 3.4Å; E150-K173 IonicContact OE2-NZ 2.66Å; E150-K173 PolarHBondContact OE2-NZ 3.49Å; H169-K173 WeakPolarHBondContact O-CG 3.49Å; H169-K173 PolarHBondContact O-N 3.3Å; V170-K173 PolarHBondContact O-N 3Å; A171-K173 VanDerWaalsContact C-N 3.31Å; A171-K173 PolarHBondContact O-N 2.95Å; K173-Y196 HydrophobicContact CB-CE2 3.62Å; K173-Y196 WeakPolarHBondContact CB-OH 3.31Å; K173-Y196 HydrophobicContact CG-CE2 4.41Å; K173-Y196 WeakPolarHBondContact CG-OH 3.31Å
174	T	85.3	Confident	90.1	Very high	0 Å²	0	58.5 Å²	58.5	0%	0	29%	0.288	C	S	.	.	T	Hydrogen-bonded Turn	trans	-108.2	9.1	-175.1	62.6	0	0	0	0	113	V170 A171 D176 K177 I178 Y196	V170-T174 HydrophobicContact CG1-CG2 4.2Å; V170-T174 WeakPolarHBondContact O-CB 3.18Å; V170-T174 WeakPolarHBondContact O-CG2 3.32Å; V170-T174 PolarHBondContact O-N 3.34Å; V170-T174 PolarHBondContact O-OG1 2.95Å; A171-T174 CarbonylContact O-C 3.39Å; A171-T174 PolarHBondContact O-N 3.2Å; A171-T174 PolarHBondContact O-OG1 2.98Å; T174-D176 VanDerWaalsContact C-N 3.29Å; T174-D176 PolarHBondContact O-N 3.02Å; T174-K177 VanDerWaalsContact O-CB 3.24Å; T174-K177 WeakPolarHBondContact O-CB 3.13Å; T174-K177 WeakPolarHBondContact O-CG 3.42Å; T174-K177 PolarHBondContact O-N 3.27Å; T174-K177 VanDerWaalsContact O-N 3.13Å; T174-I178 HydrophobicContact CG2-CB 4.09Å; T174-I178 HydrophobicContact CG2-CD1 4.07Å; T174-I178 HydrophobicContact CG2-CG1 4.29Å; T174-I178 PolarHBondContact OG1-N 2.86Å; T174-I178 VanDerWaalsContact OG1-N 3.11Å; T174-I178 PolarHBondContact OG1-O 3.06Å; T174-Y196 HydrophobicContact CG2-CD2 3.44Å; T174-Y196 VanDerWaalsContact CG2-CD2 3.44Å; T174-Y196 HydrophobicContact CG2-CE2 4.04Å; T174-Y196 HydrophobicContact CG2-CG 4.13Å
175	Q	86.3	Confident	89.8	Confident	109 Å²	109	58 Å²	58	51%	0.509	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	52	49	-176.2	-56.4	179.5	-11.2	0	0	111.7	A171 K177	A171-Q175 PolarHBondContact O-N 3.36Å; Q175-K177 PolarHBondContact O-N 2.87Å; Q175-K177 VanDerWaalsContact O-N 3.15Å
176	D	89.1	Confident	89.5	Confident	100 Å²	100	58.4 Å²	58.4	54%	0.535	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	63.5	16.5	179.1	-72.7	-57.4	0	0	0	114.8	A171 T174 K179	A171-D176 PolarHBondContact O-N 3.4Å; T174-D176 VanDerWaalsContact C-N 3.29Å; T174-D176 PolarHBondContact O-N 3.02Å; D176-K179 VanDerWaalsContact CB-CE 3.45Å; D176-K179 WeakPolarHBondContact O-CE 3.37Å
177	K	87.4	Confident	89.3	Confident	104 Å²	104	61.9 Å²	61.9	45%	0.452	31%	0.306	S	S	.	.	S	Bend	trans	-81.6	-25.9	176.8	-60.1	-63.5	173.1	-163.4	0	113.1	T174 Q175 Y198	T174-K177 VanDerWaalsContact O-CB 3.24Å; T174-K177 WeakPolarHBondContact O-CB 3.13Å; T174-K177 WeakPolarHBondContact O-CG 3.42Å; T174-K177 PolarHBondContact O-N 3.27Å; T174-K177 VanDerWaalsContact O-N 3.13Å; Q175-K177 PolarHBondContact O-N 2.87Å; Q175-K177 VanDerWaalsContact O-N 3.15Å; K177-Y198 HydrophobicContact CB-CD1 4.33Å; K177-Y198 HydrophobicContact CB-CD2 3.77Å; K177-Y198 HydrophobicContact CB-CE2 3.95Å; K177-Y198 HydrophobicContact CB-CG 3.95Å; K177-Y198 HydrophobicContact CD-CE2 4Å; K177-Y198 HydrophobicContact CG-CD1 4.12Å; K177-Y198 HydrophobicContact CG-CD2 4.03Å; K177-Y198 HydrophobicContact CG-CE1 3.86Å; K177-Y198 HydrophobicContact CG-CE2 3.73Å; K177-Y198 HydrophobicContact CG-CG 4.19Å
178	I	86.7	Confident	89	Confident	0 Å²	0	65.5 Å²	65.5	0%	0	33%	0.333	C	S	.	.			trans	-125.3	110.8	173.7	-64	175.2	0	0	0	107.5	V170 A171 T174 I181 Q344 V346	V170-I178 HydrophobicContact CG1-CB 3.93Å; V170-I178 HydrophobicContact CG1-CG2 3.53Å; A171-I178 WeakPolarHBondContact CA-O 3.38Å; A171-I178 PolarHBondContact N-O 2.91Å; T174-I178 HydrophobicContact CG2-CB 4.09Å; T174-I178 HydrophobicContact CG2-CD1 4.07Å; T174-I178 HydrophobicContact CG2-CG1 4.29Å; T174-I178 PolarHBondContact OG1-N 2.86Å; T174-I178 VanDerWaalsContact OG1-N 3.11Å; T174-I178 PolarHBondContact OG1-O 3.06Å; I178-I181 HydrophobicContact CG2-CB 4.12Å; I178-I181 HydrophobicContact CG2-CD1 4.48Å; I178-Q344 HydrophobicContact CD1-CB 4.45Å; I178-Q344 HydrophobicContact CD1-CG 4.37Å; I178-Q344 HydrophobicContact CG1-CG 4.45Å; I178-Q344 HydrophobicContact CG2-CB 4.27Å; I178-Q344 HydrophobicContact CG2-CG 4.16Å; I178-V346 HydrophobicContact CD1-CG2 4.05Å; I178-V346 HydrophobicContact CG1-CG2 3.7Å
179	K	89.3	Confident	88.7	Confident	111 Å²	111	58.6 Å²	58.6	48%	0.483	31%	0.307	S	S	.	.			trans	-112.8	-25.2	-173.8	-65.1	-173.5	177.4	-172.8	0	114.4	N167 D176	N167-K179 WeakPolarHBondContact CB-O 3.5Å; N167-K179 VanDerWaalsContact CG-O 3.26Å; D176-K179 VanDerWaalsContact CB-CE 3.45Å; D176-K179 WeakPolarHBondContact O-CE 3.37Å
180	D	87.3	Confident	88.4	Confident	100 Å²	100	57.5 Å²	57.5	54%	0.535	30%	0.304	S	S	.	.			trans	-132.6	57.5	-168.3	-58	-64.1	0	0	0	110.4	V182	D180-V182 VanDerWaalsContact C-N 3.31Å
181	I	87.4	Confident	88.3	Confident	0 Å²	0	57.5 Å²	57.5	0%	0	30%	0.304	C	S	.	.	S	Bend	trans	-75.9	-21.7	-177.1	-171.2	157.3	0	0	0	112.9	I166 N167 V170 I178 I194 S342 Q344	I166-I181 HydrophobicContact CG2-CG2 4.12Å; N167-I181 VanDerWaalsContact OD1-CG2 3.28Å; N167-I181 WeakPolarHBondContact OD1-CG2 3.45Å; N167-I181 PolarHBondContact OD1-N 3.49Å; V170-I181 HydrophobicContact CB-CG2 4.02Å; V170-I181 HydrophobicContact CG1-CB 4.5Å; V170-I181 HydrophobicContact CG1-CD1 4.25Å; V170-I181 HydrophobicContact CG1-CG2 4.22Å; V170-I181 HydrophobicContact CG2-CD1 4.43Å; V170-I181 HydrophobicContact CG2-CG2 3.73Å; I178-I181 HydrophobicContact CG2-CB 4.12Å; I178-I181 HydrophobicContact CG2-CD1 4.48Å; I181-I194 HydrophobicContact CD1-CG2 3.57Å; I181-I194 HydrophobicContact CG1-CG2 4.31Å; I181-S342 PolarHBondContact O-OG 3.23Å; I181-Q344 HydrophobicContact CD1-CB 3.98Å; I181-Q344 HydrophobicContact CG1-CB 4.07Å
182	V	88.6	Confident	88.3	Confident	1 Å²	1	57 Å²	57	1%	0.006	30%	0.3	C	S	.	.			trans	-131.9	132.8	175.8	-178	0	0	0	0	108.2	V163 I166 N167 D180 D184 L185	V163-V182 WeakPolarHBondContact CG1-O 3.16Å; V163-V182 HydrophobicContact CG2-CG1 4.26Å; I166-V182 HydrophobicContact CG2-CB 4.37Å; I166-V182 HydrophobicContact CG2-CG2 3.76Å; N167-V182 PolarHBondContact ND2-O 3.44Å; N167-V182 PolarHBondContact OD1-N 3.3Å; N167-V182 VanDerWaalsContact OD1-N 3.14Å; D180-V182 VanDerWaalsContact C-N 3.31Å; V182-D184 WeakPolarHBondContact CG1-O 3.42Å; V182-L185 HydrophobicContact CG1-CD1 4.23Å; V182-L185 HydrophobicContact CG1-CD2 3.62Å; V182-L185 HydrophobicContact CG1-CG 3.67Å
183	K	87.7	Confident	88.4	Confident	135 Å²	135	53 Å²	53	59%	0.587	27%	0.272	S	S	*	.	S	Bend	trans	-107.1	-31.7	178.3	-65.9	176.2	-177.9	151.7	0	113.1	E305	K183-E305 WeakPolarHBondContact CE-OE1 3.18Å; K183-E305 WeakPolarHBondContact CE-OE2 3.43Å; K183-E305 VanDerWaalsContact NZ-CD 3.29Å; K183-E305 IonicContact NZ-OE1 2.64Å; K183-E305 PolarHBondContact NZ-OE1 2.6Å; K183-E305 IonicContact NZ-OE2 3.42Å; K183-E305 PolarHBondContact NZ-OE2 2.6Å
184	D	87.1	Confident	88.6	Confident	95 Å²	95	49.8 Å²	49.8	51%	0.508	26%	0.258	S	S	.	.			trans	-141.8	142.8	-172.6	61.9	-71.9	0	0	0	109.6	V182 K340	V182-D184 WeakPolarHBondContact CG1-O 3.42Å; D184-K340 PolarHBondContact O-NZ 3.14Å; D184-K340 IonicContact OD1-NZ 3.49Å; D184-K340 PolarHBondContact OD1-NZ 3.26Å; D184-K340 IonicContact OD2-NZ 2.75Å; D184-K340 PolarHBondContact OD2-NZ 3.14Å
185	L	90.1	Very high	88.9	Confident	17 Å²	17	49.8 Å²	49.8	9%	0.089	26%	0.259	C	S	.	.			trans	-139	147.9	174.6	-68	170.5	0	0	0	108.3	F156 P159 A162 V163 I166 V182 M189 V192	F156-L185 HydrophobicContact CD1-CD1 4.11Å; F156-L185 HydrophobicContact CE1-CD1 4.09Å; F156-L185 HydrophobicContact CE1-CD2 4.33Å; P159-L185 HydrophobicContact CB-CB 4.4Å; A162-L185 HydrophobicContact CB-CD1 3.65Å; V163-L185 HydrophobicContact CB-CD1 4.48Å; V163-L185 HydrophobicContact CG2-CB 4.35Å; V163-L185 HydrophobicContact CG2-CD1 3.71Å; V163-L185 HydrophobicContact CG2-CG 3.83Å; I166-L185 HydrophobicContact CD1-CD1 3.77Å; V182-L185 HydrophobicContact CG1-CD1 4.23Å; V182-L185 HydrophobicContact CG1-CD2 3.62Å; V182-L185 HydrophobicContact CG1-CG 3.67Å; L185-M189 HydrophobicContact CB-SD 4.17Å; L185-M189 HydrophobicContact CD2-CE 4.49Å; L185-M189 HydrophobicContact CD2-SD 3.54Å; L185-M189 VanDerWaalsContact CD2-SD 3.54Å; L185-M189 HydrophobicContact CG-SD 4.48Å; L185-V192 HydrophobicContact CD2-CG2 4.06Å
186	D	88.3	Confident	89.1	Confident	77 Å²	77	45.3 Å²	45.3	41%	0.412	24%	0.237	S	C	.	.			trans	-99.1	139	175.3	-175.2	-80.1	0	0	0	109.8	S188 M189	D186-S188 PolarHBondContact O-N 3.14Å; D186-S188 VanDerWaalsContact O-N 3.08Å; D186-S188 WeakPolarHBondContact OD1-CA 3.09Å; D186-S188 WeakPolarHBondContact OD1-CB 3.33Å; D186-S188 PolarHBondContact OD1-N 3.32Å; D186-S188 PolarHBondContact OD1-OG 3.42Å; D186-M189 HydrophobicContact CB-CE 3.87Å; D186-M189 HydrophobicContact CB-CG 3.91Å; D186-M189 HydrophobicContact CB-SD 4.47Å; D186-M189 PolarHBondContact N-SD 2.62Å; D186-M189 WeakPolarHBondContact O-CB 3.4Å; D186-M189 WeakPolarHBondContact O-CG 3.28Å; D186-M189 PolarHBondContact O-N 3.13Å
187	P	90.3	Very high	89	Confident	73 Å²	73	40.5 Å²	40.5	47%	0.474	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.3	-22.2	179.1	-25.1	33.3	0	0	0	115.5	F156 P159 M189	F156-P187 WeakPolarHBondContact O-CA 3.32Å; P159-P187 HydrophobicContact CG-CG 3.73Å; P187-M189 VanDerWaalsContact C-N 3.34Å
188	S	88.3	Confident	88.9	Confident	93 Å²	93	36 Å²	36	65%	0.65	19%	0.192	S	C	*	.	T	Hydrogen-bonded Turn	trans	-85	-4.4	178.7	71.8	0	0	0	0	114	D186	D186-S188 PolarHBondContact O-N 3.14Å; D186-S188 VanDerWaalsContact O-N 3.08Å; D186-S188 WeakPolarHBondContact OD1-CA 3.09Å; D186-S188 WeakPolarHBondContact OD1-CB 3.33Å; D186-S188 PolarHBondContact OD1-N 3.32Å; D186-S188 PolarHBondContact OD1-OG 3.42Å
189	M	90.1	Very high	88.8	Confident	19 Å²	19	36 Å²	36	9%	0.094	19%	0.192	C	C	.	.			trans	-60.5	139.1	-179.4	-66.3	-171	172.9	0	0	111.2	F156 L185 D186 P187 V192 K340	F156-M189 HydrophobicContact CD1-CB 4.31Å; F156-M189 HydrophobicContact CD2-CB 4.26Å; F156-M189 WeakPolarHBondContact CD2-O 3.47Å; F156-M189 HydrophobicContact CG-CB 4.15Å; L185-M189 HydrophobicContact CB-SD 4.17Å; L185-M189 HydrophobicContact CD2-CE 4.49Å; L185-M189 HydrophobicContact CD2-SD 3.54Å; L185-M189 VanDerWaalsContact CD2-SD 3.54Å; L185-M189 HydrophobicContact CG-SD 4.48Å; D186-M189 HydrophobicContact CB-CE 3.87Å; D186-M189 HydrophobicContact CB-CG 3.91Å; D186-M189 HydrophobicContact CB-SD 4.47Å; D186-M189 PolarHBondContact N-SD 2.62Å; D186-M189 WeakPolarHBondContact O-CB 3.4Å; D186-M189 WeakPolarHBondContact O-CG 3.28Å; D186-M189 PolarHBondContact O-N 3.13Å; P187-M189 VanDerWaalsContact C-N 3.34Å; M189-V192 HydrophobicContact SD-CG2 3.98Å; M189-K340 HydrophobicContact CE-CB 4.27Å; M189-K340 HydrophobicContact CE-CD 4.21Å; M189-K340 HydrophobicContact SD-CB 4.45Å
190	A	86.6	Confident	88.4	Confident	11 Å²	11	33.6 Å²	33.6	9%	0.091	18%	0.18	C	C	.	.			trans	-113.2	-33.5	-179.2	0	0	0	0	0	112.4	R130 L336 S339	R130-A190 PolarHBondContact N-O 3.12Å; A190-L336 HydrophobicContact CB-CD2 3.89Å; A190-S339 PolarHBondContact N-OG 2.94Å; A190-S339 VanDerWaalsContact N-OG 3.09Å
191	L	89.6	Confident	88.1	Confident	0 Å²	0	29 Å²	29	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.7	121.6	-175.1	-172.1	155.4	0	0	0	109.7	L75 V127 A128 I330 S339	L75-L191 HydrophobicContact CD1-CD1 4.32Å; L75-L191 HydrophobicContact CD1-CD2 4.11Å; V127-L191 HydrophobicContact CG1-CD1 4.13Å; V127-L191 HydrophobicContact CG1-CD2 4.09Å; V127-L191 HydrophobicContact CG1-CG 3.77Å; A128-L191 WeakPolarHBondContact O-CA 3.27Å; L191-I330 HydrophobicContact CD1-CD1 3.72Å; L191-S339 VanDerWaalsContact O-CB 3.31Å; L191-S339 WeakPolarHBondContact O-CB 3.29Å; L191-S339 PolarHBondContact O-N 2.87Å; L191-S339 PolarHBondContact O-OG 2.68Å
192	V	91.9	Very high	88.1	Confident	0 Å²	0	31.3 Å²	31.3	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	120.6	172.6	-179.8	0	0	0	0	108.7	A128 F156 L185 M189 I194 K340	A128-V192 HydrophobicContact CB-CB 4.27Å; A128-V192 PolarHBondContact N-O 3.12Å; A128-V192 PolarHBondContact O-N 3.19Å; F156-V192 HydrophobicContact CE1-CG2 3.92Å; F156-V192 HydrophobicContact CZ-CB 4.46Å; F156-V192 HydrophobicContact CZ-CG2 3.79Å; L185-V192 HydrophobicContact CD2-CG2 4.06Å; M189-V192 HydrophobicContact SD-CG2 3.98Å; V192-I194 HydrophobicContact CG1-CG1 3.98Å; V192-K340 WeakPolarHBondContact CA-O 3.42Å; V192-K340 HydrophobicContact CG1-CB 4.2Å; V192-K340 HydrophobicContact CG2-CB 4.33Å
193	L	92.1	Very high	88.2	Confident	0 Å²	0	31.6 Å²	31.6	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	127.7	175.7	-178.4	65.1	0	0	0	109.1	A71 L72 M74 L75 V127 K340 V341 S342	A71-L193 HydrophobicContact CB-CD1 4.11Å; A71-L193 HydrophobicContact CB-CD2 3.94Å; A71-L193 HydrophobicContact CB-CG 4.11Å; L72-L193 HydrophobicContact CD2-CD2 4.17Å; M74-L193 HydrophobicContact CE-CD1 3.35Å; L75-L193 HydrophobicContact CB-CD2 4.34Å; L75-L193 HydrophobicContact CD2-CD2 4.25Å; V127-L193 HydrophobicContact CG2-CD1 4.08Å; L193-K340 PolarHBondContact N-O 2.94Å; L193-V341 HydrophobicContact CB-CG1 4.46Å; L193-V341 HydrophobicContact CB-CG2 4.19Å; L193-V341 HydrophobicContact CD2-CG1 4.14Å; L193-V341 HydrophobicContact CD2-CG2 4.27Å; L193-V341 HydrophobicContact CG-CG1 4.46Å; L193-V341 WeakPolarHBondContact O-CA 3.32Å; L193-S342 PolarHBondContact O-N 3.36Å
194	I	91.8	Very high	88.3	Confident	0 Å²	0	30.1 Å²	30.1	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	120.9	-173.9	-55.5	161.3	0	0	0	108.4	N125 S126 A128 F152 I166 V170 I181 V192 Y196	N125-I194 WeakPolarHBondContact CA-O 3.24Å; S126-I194 PolarHBondContact N-O 3.08Å; S126-I194 PolarHBondContact O-N 3.5Å; A128-I194 HydrophobicContact CB-CD1 4.14Å; F152-I194 HydrophobicContact CE1-CD1 4.26Å; F152-I194 HydrophobicContact CZ-CD1 3.98Å; I166-I194 HydrophobicContact CG1-CD1 4.28Å; I166-I194 HydrophobicContact CG2-CD1 3.56Å; I166-I194 HydrophobicContact CG2-CG1 4.47Å; V170-I194 HydrophobicContact CG2-CG2 3.84Å; I181-I194 HydrophobicContact CD1-CG2 3.57Å; I181-I194 HydrophobicContact CG1-CG2 4.31Å; V192-I194 HydrophobicContact CG1-CG1 3.98Å; I194-Y196 HydrophobicContact CG2-CD1 4.14Å
195	N	91.4	Very high	88.5	Confident	1 Å²	1	32 Å²	32	1%	0.005	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	125.3	169	174	-104.8	0	0	0	109.8	G67 A71 G124 N125 V197 S342 H343 Q344	G67-N195 VanDerWaalsContact C-CG 3.48Å; G67-N195 VanDerWaalsContact CA-ND2 3.26Å; G67-N195 WeakPolarHBondContact CA-ND2 3.41Å; G67-N195 PolarHBondContact O-ND2 2.89Å; G67-N195 VanDerWaalsContact O-ND2 3.14Å; A71-N195 HydrophobicContact CB-CB 4.02Å; G124-N195 PolarHBondContact O-ND2 3.24Å; N125-N195 PolarHBondContact OD1-ND2 2.88Å; N195-V197 WeakPolarHBondContact OD1-CG2 3.22Å; N195-S342 PolarHBondContact N-O 3.31Å; N195-H343 WeakPolarHBondContact O-CA 3.38Å; N195-H343 PolarHBondContact OD1-CE1 3.32Å; N195-H343 PolarHBondContact OD1-ND1 2.85Å; N195-Q344 PolarHBondContact O-N 2.8Å; N195-Q344 VanDerWaalsContact O-N 3.14Å
196	Y	89.3	Confident	88.6	Confident	14 Å²	14	33.5 Å²	33.5	6%	0.055	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	132.2	175.8	54.1	-94	0	0	0	109.6	G124 V170 K173 T174 I194	G124-Y196 PolarHBondContact N-O 3.37Å; G124-Y196 PolarHBondContact O-N 3.26Å; G124-Y196 VanDerWaalsContact O-N 3.12Å; V170-Y196 HydrophobicContact CB-CD1 4.34Å; V170-Y196 HydrophobicContact CG1-CD1 3.84Å; V170-Y196 HydrophobicContact CG1-CD2 4.47Å; V170-Y196 HydrophobicContact CG1-CG 3.78Å; V170-Y196 HydrophobicContact CG2-CD1 3.76Å; V170-Y196 HydrophobicContact CG2-CE1 4.12Å; K173-Y196 HydrophobicContact CB-CE2 3.62Å; K173-Y196 WeakPolarHBondContact CB-OH 3.31Å; K173-Y196 HydrophobicContact CG-CE2 4.41Å; K173-Y196 WeakPolarHBondContact CG-OH 3.31Å; T174-Y196 HydrophobicContact CG2-CD2 3.44Å; T174-Y196 VanDerWaalsContact CG2-CD2 3.44Å; T174-Y196 HydrophobicContact CG2-CE2 4.04Å; T174-Y196 HydrophobicContact CG2-CG 4.13Å; I194-Y196 HydrophobicContact CG2-CD1 4.14Å
197	V	88.1	Confident	88.8	Confident	0 Å²	0	30.4 Å²	30.4	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136	118.3	178.6	-161.2	0	0	0	0	109.6	S64 L121 H122 L123 N195 Q344 A345 V346 F393	S64-V197 VanDerWaalsContact CB-CG2 3.45Å; L121-V197 HydrophobicContact CD1-CG1 4.27Å; H122-V197 CarbonylContact O-C 3.46Å; H122-V197 WeakPolarHBondContact O-CA 3.24Å; L123-V197 HydrophobicContact CB-CG1 4.06Å; L123-V197 HydrophobicContact CD1-CG1 4.43Å; L123-V197 HydrophobicContact CG-CG1 4.1Å; L123-V197 HydrophobicContact CG-CG2 4.04Å; N195-V197 WeakPolarHBondContact OD1-CG2 3.22Å; V197-Q344 PolarHBondContact N-O 2.9Å; V197-A345 WeakPolarHBondContact O-CA 2.96Å; V197-V346 PolarHBondContact O-N 2.89Å; V197-F393 HydrophobicContact CB-CE1 3.95Å; V197-F393 HydrophobicContact CB-CZ 3.98Å; V197-F393 HydrophobicContact CG1-CE1 3.8Å; V197-F393 HydrophobicContact CG1-CE2 4.13Å; V197-F393 HydrophobicContact CG1-CZ 3.36Å
198	Y	85.9	Confident	88.8	Confident	9 Å²	9	30.6 Å²	30.6	4%	0.035	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	129.2	173.1	166.3	-104.5	0	0	0	109.3	H122 K177 R200 V346	H122-Y198 HydrophobicContact CB-CD1 4.37Å; H122-Y198 AromaticContact CD2-CD1 3.73Å; H122-Y198 PolarHBondContact N-O 2.84Å; H122-Y198 PolarHBondContact O-N 2.96Å; K177-Y198 HydrophobicContact CB-CD1 4.33Å; K177-Y198 HydrophobicContact CB-CD2 3.77Å; K177-Y198 HydrophobicContact CB-CE2 3.95Å; K177-Y198 HydrophobicContact CB-CG 3.95Å; K177-Y198 HydrophobicContact CD-CE2 4Å; K177-Y198 HydrophobicContact CG-CD1 4.12Å; K177-Y198 HydrophobicContact CG-CD2 4.03Å; K177-Y198 HydrophobicContact CG-CE1 3.86Å; K177-Y198 HydrophobicContact CG-CE2 3.73Å; K177-Y198 HydrophobicContact CG-CG 4.19Å; Y198-R200 HydrophobicContact CE1-CB 4.14Å; Y198-R200 HydrophobicContact CE2-CB 4.45Å; Y198-R200 WeakPolarHBondContact OH-CB 3.42Å; Y198-R200 WeakPolarHBondContact OH-CD 3.39Å; Y198-V346 HydrophobicContact CD2-CB 4.06Å; Y198-V346 HydrophobicContact CD2-CG1 4Å; Y198-V346 HydrophobicContact CE2-CG1 4.42Å
199	F	83.6	Confident	89	Confident	0 Å²	0	31.8 Å²	31.8	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	132.9	177.1	176.4	-103.5	0	0	0	111.9	Q119 K120 L121 Y253 T257 V346 L347 I383 F393	Q119-F199 HydrophobicContact CB-CE2 4.25Å; K120-F199 WeakPolarHBondContact O-CA 3.39Å; L121-F199 HydrophobicContact CB-CD2 4Å; L121-F199 HydrophobicContact CD1-CB 4.09Å; L121-F199 HydrophobicContact CD1-CD2 3.83Å; L121-F199 HydrophobicContact CD1-CG 4.39Å; L121-F199 HydrophobicContact CG-CD2 4.45Å; F199-Y253 HydrophobicContact CE1-CD2 4.13Å; F199-Y253 HydrophobicContact CE1-CE1 4.18Å; F199-Y253 AromaticContact CE1-CE2 3.66Å; F199-Y253 HydrophobicContact CE1-CE2 3.66Å; F199-Y253 AromaticContact CE1-CZ 3.68Å; F199-Y253 AromaticContact CZ-CD2 3.95Å; F199-Y253 HydrophobicContact CZ-CD2 3.95Å; F199-Y253 AromaticContact CZ-CE2 3.97Å; F199-Y253 HydrophobicContact CZ-CE2 3.97Å; F199-Y253 HydrophobicContact CZ-CG 4.23Å; F199-T257 HydrophobicContact CZ-CG2 4.07Å; F199-V346 PolarHBondContact N-O 2.86Å; F199-L347 HydrophobicContact CD1-CD1 3.84Å; F199-I383 HydrophobicContact CD1-CG2 4.34Å; F199-I383 HydrophobicContact CE1-CG2 3.98Å; F199-I383 HydrophobicContact CZ-CG2 4.23Å; F199-F393 HydrophobicContact CB-CD2 4.26Å; F199-F393 HydrophobicContact CB-CE2 3.21Å; F199-F393 HydrophobicContact CB-CZ 3.56Å; F199-F393 HydrophobicContact CD1-CE2 4.37Å; F199-F393 AromaticContact CG-CE2 3.9Å; F199-F393 HydrophobicContact CG-CE2 3.9Å
200	R	81.1	Confident	89.1	Confident	61 Å²	61	37.5 Å²	37.5	23%	0.23	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	91.1	170.7	-170.6	166.7	-168.6	-156.5	-1.9	109.2	K120 Y198 D350 G353 T354	K120-R200 HydrophobicContact CB-CB 4.32Å; K120-R200 PolarHBondContact N-O 3.05Å; K120-R200 VanDerWaalsContact N-O 3.13Å; K120-R200 PolarHBondContact O-N 2.71Å; Y198-R200 HydrophobicContact CE1-CB 4.14Å; Y198-R200 HydrophobicContact CE2-CB 4.45Å; Y198-R200 WeakPolarHBondContact OH-CB 3.42Å; Y198-R200 WeakPolarHBondContact OH-CD 3.39Å; R200-D350 IonicContact NH2-OD2 3.05Å; R200-D350 PolarHBondContact NH2-OD2 3.15Å; R200-G353 WeakPolarHBondContact CD-O 3.47Å; R200-G353 WeakPolarHBondContact CG-O 3.2Å; R200-G353 PolarHBondContact NE-O 3.13Å; R200-T354 WeakPolarHBondContact CD-OG1 3.21Å; R200-T354 WeakPolarHBondContact CG-OG1 3.02Å; R200-T354 PolarHBondContact NE-OG1 2.75Å; R200-T354 PolarHBondContact NH1-OG1 3Å; R200-T354 PolarHBondContact NH2-OG1 2.77Å
201	G	81.8	Confident	89.4	Confident	3 Å²	3	40.7 Å²	40.7	3%	0.031	19%	0.192	C	C	.	.	P	Polyproline II helix	trans	-84.3	152.4	173.2	0	0	0	0	0	111.7	Y253 G353	G201-Y253 VanDerWaalsContact C-CD1 3.41Å; G201-G353 CarbonylContact O-C 3.36Å; G201-G353 WeakPolarHBondContact O-CA 3.26Å
202	Q	86.8	Confident	89.8	Confident	48 Å²	48	42 Å²	42	22%	0.224	20%	0.201	C	C	.	.	P	Polyproline II helix	trans	-93.3	133.1	168.6	-61.9	-172.4	3.9	0	0	109.7	E204 Y253 K254 T354	Q202-E204 PolarHBondContact O-N 3.37Å; Q202-Y253 CarbonylContact O-C 3.39Å; Q202-Y253 WeakPolarHBondContact O-CA 3.39Å; Q202-Y253 WeakPolarHBondContact O-CB 3.32Å; Q202-Y253 WeakPolarHBondContact O-CD1 3.22Å; Q202-K254 HydrophobicContact CB-CD 4.08Å; Q202-K254 HydrophobicContact CB-CG 4.28Å; Q202-K254 PolarHBondContact O-N 2.84Å; Q202-T354 VanDerWaalsContact CG-O 3.31Å; Q202-T354 WeakPolarHBondContact CG-O 3.47Å; Q202-T354 PolarHBondContact NE2-O 2.8Å; Q202-T354 VanDerWaalsContact NE2-O 3.12Å
203	W	90.7	Very high	90	Very high	7 Å²	7	48.5 Å²	48.5	3%	0.027	23%	0.231	C	C	.	.	B	Isolated β-bridge	trans	-60	140.5	175	-60.6	122.5	0	0	0	110.3	R205 P206 L251 Y253 M259 V349 D350 T352	W203-R205 PolarHBondContact O-N 3.13Å; W203-P206 HydrophobicContact CB-CB 4.49Å; W203-L251 HydrophobicContact CE3-CB 4.2Å; W203-L251 HydrophobicContact CH2-CB 4.36Å; W203-L251 HydrophobicContact CH2-CD1 4.3Å; W203-L251 HydrophobicContact CZ3-CB 3.71Å; W203-L251 HydrophobicContact CZ3-CD1 4.41Å; W203-Y253 HydrophobicContact CD2-CD1 4.19Å; W203-Y253 AromaticContact CD2-CE1 3.91Å; W203-Y253 HydrophobicContact CD2-CE1 3.91Å; W203-Y253 AromaticContact CE3-CD1 3.59Å; W203-Y253 HydrophobicContact CE3-CD1 3.59Å; W203-Y253 AromaticContact CE3-CE1 3.43Å; W203-Y253 HydrophobicContact CE3-CE1 3.43Å; W203-Y253 VanDerWaalsContact CE3-CE1 3.43Å; W203-Y253 HydrophobicContact CE3-CE2 4.47Å; W203-Y253 HydrophobicContact CE3-CG 4.22Å; W203-Y253 AromaticContact CE3-CZ 3.91Å; W203-Y253 AromaticContact CH2-CE1 3.62Å; W203-Y253 HydrophobicContact CH2-CE1 3.62Å; W203-Y253 HydrophobicContact CH2-CE2 4.25Å; W203-Y253 AromaticContact CH2-CZ 3.42Å; W203-Y253 VanDerWaalsContact CH2-CZ 3.42Å; W203-Y253 WeakPolarHBondContact CH2-OH 3.49Å; W203-Y253 HydrophobicContact CZ2-CE1 4.06Å; W203-Y253 AromaticContact CZ3-CD1 3.8Å; W203-Y253 HydrophobicContact CZ3-CD1 3.8Å; W203-Y253 HydrophobicContact CZ3-CD2 4.24Å; W203-Y253 AromaticContact CZ3-CE1 3.26Å; W203-Y253 HydrophobicContact CZ3-CE1 3.26Å; W203-Y253 AromaticContact CZ3-CE2 3.74Å; W203-Y253 HydrophobicContact CZ3-CE2 3.74Å; W203-Y253 HydrophobicContact CZ3-CG 4.28Å; W203-Y253 AromaticContact CZ3-CZ 3.22Å; W203-M259 HydrophobicContact CH2-CB 4.13Å; W203-M259 HydrophobicContact CH2-CE 3.79Å; W203-M259 HydrophobicContact CH2-SD 3.9Å; W203-M259 HydrophobicContact CZ3-CB 4.09Å; W203-V349 HydrophobicContact CZ2-CG1 3.87Å; W203-D350 PolarHBondContact NE1-O 3.05Å; W203-T352 PolarHBondContact N-O 2.78Å
204	E	90.2	Very high	90.3	Very high	104 Å²	104	54 Å²	54	49%	0.486	26%	0.255	S	S	.	.	S	Bend	trans	-59.5	-37.1	168.5	-168.2	-167.4	166.2	0	0	109.6	Q202 P252	Q202-E204 PolarHBondContact O-N 3.37Å; E204-P252 HydrophobicContact CB-CB 4.19Å; E204-P252 HydrophobicContact CB-CG 4.08Å; E204-P252 WeakPolarHBondContact CB-O 3.49Å; E204-P252 PolarHBondContact N-O 2.85Å; E204-P252 WeakPolarHBondContact OE2-CB 3.38Å; E204-P252 WeakPolarHBondContact OE2-CG 3.49Å
205	R	90.4	Very high	90.6	Very high	136 Å²	136	55.6 Å²	55.6	51%	0.513	27%	0.268	S	S	.	.	S	Bend	trans	-130.5	96	176.8	-61.4	-178.7	-176.4	-178.2	-2.5	110.5	W203	W203-R205 PolarHBondContact O-N 3.13Å
206	P	91.7	Very high	90.9	Very high	48 Å²	48	59.2 Å²	59.2	31%	0.312	29%	0.288	S	S	.	.	P	Polyproline II helix	trans	-67.5	159.9	-174.8	28	-35.2	0	0	0	113.3	W203 K232 E351	W203-P206 HydrophobicContact CB-CB 4.49Å; P206-K232 WeakPolarHBondContact O-CE 3.44Å; P206-K232 PolarHBondContact O-NZ 3Å; P206-E351 CarbonylContact C-O 3.58Å; P206-E351 WeakPolarHBondContact CA-O 3.46Å; P206-E351 VanDerWaalsContact CB-O 3.24Å; P206-E351 WeakPolarHBondContact CB-O 3.32Å
207	F	92.4	Very high	91.3	Very high	12 Å²	12	58.6 Å²	58.6	5%	0.053	29%	0.285	C	S	.	.	P	Polyproline II helix	trans	-78.2	152.9	169.5	-62.9	-105.1	0	0	0	109.9	M230 K232 L251 L295 M297 E351	F207-M230 HydrophobicContact CB-CB 4.29Å; F207-M230 HydrophobicContact CD1-CB 3.66Å; F207-M230 HydrophobicContact CD2-CE 4.3Å; F207-M230 HydrophobicContact CD2-SD 4.28Å; F207-M230 HydrophobicContact CE1-CB 4.16Å; F207-M230 HydrophobicContact CE2-CE 4.2Å; F207-M230 HydrophobicContact CG-CB 4.01Å; F207-M230 HydrophobicContact CG-SD 4.3Å; F207-M230 HydrophobicContact CZ-CE 4.41Å; F207-K232 HydrophobicContact CD1-CB 3.49Å; F207-K232 VanDerWaalsContact CD1-CB 3.49Å; F207-K232 HydrophobicContact CD1-CD 4.4Å; F207-K232 HydrophobicContact CE1-CB 3.68Å; F207-K232 HydrophobicContact CG-CB 4.32Å; F207-L251 HydrophobicContact CZ-CD1 4.49Å; F207-L295 HydrophobicContact CE1-CD2 4.25Å; F207-L295 HydrophobicContact CE1-CG 4.48Å; F207-L295 HydrophobicContact CZ-CD2 3.97Å; F207-M297 HydrophobicContact CE1-CB 4.43Å; F207-M297 HydrophobicContact CZ-CB 4.33Å; F207-M297 HydrophobicContact CZ-SD 4.26Å; F207-E351 HydrophobicContact CB-CB 3.89Å; F207-E351 HydrophobicContact CB-CG 4.1Å; F207-E351 PolarHBondContact N-O 2.8Å
208	D	90.2	Very high	91.7	Very high	76 Å²	76	61.6 Å²	61.6	41%	0.406	30%	0.299	S	S	.	.	P	Polyproline II helix	trans	-84.6	120.9	171.6	-174.3	-9.3	0	0	0	109.4	N210 L211	D208-N210 PolarHBondContact O-N 2.77Å; D208-N210 WeakPolarHBondContact OD1-CB 3.4Å; D208-N210 PolarHBondContact OD1-N 3.32Å; D208-N210 PolarHBondContact OD1-ND2 3.12Å; D208-L211 HydrophobicContact CB-CB 4.46Å; D208-L211 HydrophobicContact CB-CD1 4.02Å; D208-L211 HydrophobicContact CB-CG 4Å; D208-L211 PolarHBondContact O-N 3.16Å
209	K	92.6	Very high	92	Very high	119 Å²	119	62 Å²	62	52%	0.517	30%	0.302	S	S	.	.	G	3₁₀ helix	trans	-59.8	-27.7	178.5	-66.8	-177.7	179.7	-179.6	0	113	L211 T212 E351 T352	K209-L211 PolarHBondContact O-N 3.42Å; K209-T212 PolarHBondContact O-N 3.28Å; K209-E351 HydrophobicContact CB-CG 4.43Å; K209-E351 HydrophobicContact CG-CB 3.71Å; K209-E351 HydrophobicContact CG-CG 3.77Å; K209-T352 VanDerWaalsContact CE-CG2 3.5Å
210	N	92.4	Very high	92.3	Very high	139 Å²	139	65.6 Å²	65.6	74%	0.743	32%	0.322	S	S	*	.	G	3₁₀ helix	trans	-74.4	-13.4	179.1	-56.9	-53.2	0	0	0	112.7	D208	D208-N210 PolarHBondContact O-N 2.77Å; D208-N210 WeakPolarHBondContact OD1-CB 3.4Å; D208-N210 PolarHBondContact OD1-N 3.32Å; D208-N210 PolarHBondContact OD1-ND2 3.12Å
211	L	94.2	Very high	92.6	Very high	77 Å²	77	69.5 Å²	69.5	40%	0.403	34%	0.343	S	S	.	.	G	3₁₀ helix	trans	-100.6	1.1	177.4	-57.8	-178.4	0	0	0	112.8	D208 K209 K231	D208-L211 HydrophobicContact CB-CB 4.46Å; D208-L211 HydrophobicContact CB-CD1 4.02Å; D208-L211 HydrophobicContact CB-CG 4Å; D208-L211 PolarHBondContact O-N 3.16Å; K209-L211 PolarHBondContact O-N 3.42Å; L211-K231 HydrophobicContact CB-CB 4.32Å
212	T	96.4	Very high	93	Very high	29 Å²	29	76.6 Å²	76.6	18%	0.178	38%	0.38	C	S	.	.			trans	-76.5	123.9	173.2	-61.1	0	0	0	0	109.4	K209 D228 M229 K299 E351	K209-T212 PolarHBondContact O-N 3.28Å; T212-D228 HydrophobicContact CG2-CB 3.91Å; T212-M229 WeakPolarHBondContact CA-O 3.24Å; T212-K299 HydrophobicContact CG2-CD 4.19Å; T212-E351 WeakPolarHBondContact OG1-CG 3.33Å; T212-E351 PolarHBondContact OG1-OE1 2.71Å
213	E	97.3	Very high	93.3	Very high	136 Å²	136	77.2 Å²	77.2	64%	0.636	39%	0.387	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-132.6	159.4	-178.6	-66.6	179.1	171.5	0	0	110.9	M229	E213-M229 PolarHBondContact N-O 2.94Å; E213-M229 VanDerWaalsContact N-O 3.13Å; E213-M229 WeakPolarHBondContact O-CB 3.19Å; E213-M229 PolarHBondContact O-N 3.2Å
214	K	98.2	Very high	93.6	Very high	115 Å²	115	82.3 Å²	82.3	50%	0.5	41%	0.409	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.2	134.1	171.5	-67.4	-53.5	-164.2	-174.8	0	110.4	E226 V227 D228	K214-E226 HydrophobicContact CB-CG 3.89Å; K214-E226 HydrophobicContact CD-CG 4.01Å; K214-E226 WeakPolarHBondContact CD-OE1 3.47Å; K214-E226 WeakPolarHBondContact CE-OE1 3.03Å; K214-E226 HydrophobicContact CG-CG 4.23Å; K214-V227 WeakPolarHBondContact CA-O 3.26Å; K214-D228 WeakPolarHBondContact CD-OD1 3.23Å; K214-D228 VanDerWaalsContact CE-OD1 3.29Å; K214-D228 WeakPolarHBondContact CE-OD1 3.31Å; K214-D228 VanDerWaalsContact NZ-CG 3.32Å; K214-D228 IonicContact NZ-OD1 2.94Å; K214-D228 PolarHBondContact NZ-OD1 3.37Å; K214-D228 IonicContact NZ-OD2 2.85Å; K214-D228 PolarHBondContact NZ-OD2 3.18Å
215	A	98	Very high	93.8	Very high	34 Å²	34	78.8 Å²	78.8	28%	0.281	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.1	160.5	174.1	0	0	0	0	0	112	V227 M229	A215-V227 PolarHBondContact N-O 3.42Å; A215-V227 WeakPolarHBondContact O-CG2 3.5Å; A215-V227 PolarHBondContact O-N 2.87Å; A215-M229 HydrophobicContact CB-CB 3.68Å; A215-M229 HydrophobicContact CB-CE 4.29Å; A215-M229 HydrophobicContact CB-CG 4.16Å
216	D	97.9	Very high	94.2	Very high	77 Å²	77	78 Å²	78	41%	0.412	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.9	133.6	173.4	-75.8	-7.2	0	0	0	111.3	K224	D216-K224 HydrophobicContact CB-CD 4.26Å; D216-K224 WeakPolarHBondContact OD2-CD 3.36Å; D216-K224 IonicContact OD2-NZ 2.9Å; D216-K224 PolarHBondContact OD2-NZ 3.01Å
217	F	97.9	Very high	94.5	Very high	0 Å²	0	76 Å²	76	0%	0	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	126.6	161.2	-171.7	-77.5	0	0	0	109.5	V219 K224 V225 V227 P298 L375 R377 F379 S398 P400	F217-V219 HydrophobicContact CD1-CG2 4.23Å; F217-V219 PolarHBondContact O-N 2.85Å; F217-K224 CarbonylContact O-C 3.59Å; F217-K224 VanDerWaalsContact O-CA 3.26Å; F217-K224 WeakPolarHBondContact O-CA 3.37Å; F217-V225 HydrophobicContact CB-CG2 3.94Å; F217-V225 HydrophobicContact CD1-CG2 4.44Å; F217-V225 PolarHBondContact N-O 2.91Å; F217-V225 PolarHBondContact O-N 2.85Å; F217-V227 HydrophobicContact CB-CG1 3.75Å; F217-V227 HydrophobicContact CB-CG2 3.98Å; F217-V227 HydrophobicContact CG-CG1 4.48Å; F217-P298 HydrophobicContact CD2-CG 4.28Å; F217-P298 HydrophobicContact CE2-CG 4.23Å; F217-L375 WeakPolarHBondContact CD2-O 2.95Å; F217-L375 VanDerWaalsContact CE2-O 3.24Å; F217-L375 WeakPolarHBondContact CE2-O 3.28Å; F217-R377 WeakPolarHBondContact CE2-O 3.25Å; F217-R377 WeakPolarHBondContact CZ-O 3.41Å; F217-F379 HydrophobicContact CE2-CD1 4.26Å; F217-F379 HydrophobicContact CE2-CE1 4.01Å; F217-F379 HydrophobicContact CZ-CD1 4.4Å; F217-F379 HydrophobicContact CZ-CE1 4.38Å; F217-S398 WeakPolarHBondContact CE1-O 3.49Å; F217-P400 HydrophobicContact CD1-CG 4.16Å; F217-P400 HydrophobicContact CD2-CG 3.51Å; F217-P400 HydrophobicContact CE1-CG 4.19Å; F217-P400 HydrophobicContact CE2-CG 3.52Å; F217-P400 HydrophobicContact CG-CG 3.84Å; F217-P400 HydrophobicContact CZ-CG 3.86Å
218	H	96.1	Very high	94.8	Very high	64 Å²	64	78.6 Å²	78.6	30%	0.296	40%	0.398	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	98.9	-178.3	-62.5	-119.3	0	0	0	109.3	N220 K224 N376 R377 P378	H218-N220 VanDerWaalsContact C-N 3.31Å; H218-K224 WeakPolarHBondContact CE1-CE 3.33Å; H218-N376 WeakPolarHBondContact CB-O 3.44Å; H218-N376 PolarHBondContact CD2-O 2.87Å; H218-N376 PolarHBondContact N-O 3.4Å; H218-R377 WeakPolarHBondContact O-CA 3.1Å; H218-P378 WeakPolarHBondContact O-CD 3.1Å
219	V	93.3	Very high	95.1	Very high	16 Å²	16	75.5 Å²	75.5	10%	0.097	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.8	-36.9	176.7	177.6	0	0	0	0	110.6	F217 T223 V225 N399	F217-V219 HydrophobicContact CD1-CG2 4.23Å; F217-V219 PolarHBondContact O-N 2.85Å; V219-T223 HydrophobicContact CB-CG2 4.2Å; V219-T223 PolarHBondContact N-O 2.78Å; V219-V225 HydrophobicContact CG2-CG1 3.99Å; V219-V225 HydrophobicContact CG2-CG2 3.98Å; V219-N399 HydrophobicContact CG1-CB 4.38Å; V219-N399 HydrophobicContact CG2-CB 3.95Å
220	N	89.5	Confident	95.4	Very high	76 Å²	76	69.8 Å²	69.8	41%	0.406	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.4	-177.4	171.1	57	60.2	0	0	0	109	H218 N222 T223	H218-N220 VanDerWaalsContact C-N 3.31Å; N220-N222 PolarHBondContact O-N 3.22Å; N220-N222 VanDerWaalsContact O-N 3.08Å; N220-N222 PolarHBondContact OD1-N 3.49Å; N220-T223 PolarHBondContact N-O 3.39Å; N220-T223 PolarHBondContact ND2-OG1 2.86Å; N220-T223 PolarHBondContact O-N 3.1Å; N220-T223 VanDerWaalsContact OD1-CB 3.28Å; N220-T223 WeakPolarHBondContact OD1-CB 3.48Å; N220-T223 PolarHBondContact OD1-N 3.42Å; N220-T223 PolarHBondContact OD1-OG1 3.01Å
221	E	86.8	Confident	95.5	Very high	144 Å²	144	66.7 Å²	66.7	67%	0.673	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.9	-31	-178.7	-62.6	-172.4	157.7	0	0	114	N267	E221-N267 PolarHBondContact OE1-ND2 3.11Å
222	N	90.3	Very high	95.4	Very high	152 Å²	152	64.8 Å²	64.8	81%	0.813	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108.7	-7.4	-173.5	-62.1	-51.6	0	0	0	113.8	N220	N220-N222 PolarHBondContact O-N 3.22Å; N220-N222 VanDerWaalsContact O-N 3.08Å; N220-N222 PolarHBondContact OD1-N 3.49Å
223	T	93.4	Very high	95.1	Very high	61 Å²	61	67.6 Å²	67.6	37%	0.374	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	120.5	-170.8	-49.6	0	0	0	0	110.4	V219 N220	V219-T223 HydrophobicContact CB-CG2 4.2Å; V219-T223 PolarHBondContact N-O 2.78Å; N220-T223 PolarHBondContact N-O 3.39Å; N220-T223 PolarHBondContact ND2-OG1 2.86Å; N220-T223 PolarHBondContact O-N 3.1Å; N220-T223 VanDerWaalsContact OD1-CB 3.28Å; N220-T223 WeakPolarHBondContact OD1-CB 3.48Å; N220-T223 PolarHBondContact OD1-N 3.42Å; N220-T223 PolarHBondContact OD1-OG1 3.01Å
224	K	95.6	Very high	94.8	Very high	113 Å²	113	62.2 Å²	62.2	49%	0.491	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	149.3	171.2	-63.3	-179.5	170.1	-165.5	0	110.5	D216 F217 H218	D216-K224 HydrophobicContact CB-CD 4.26Å; D216-K224 WeakPolarHBondContact OD2-CD 3.36Å; D216-K224 IonicContact OD2-NZ 2.9Å; D216-K224 PolarHBondContact OD2-NZ 3.01Å; F217-K224 CarbonylContact O-C 3.59Å; F217-K224 VanDerWaalsContact O-CA 3.26Å; F217-K224 WeakPolarHBondContact O-CA 3.37Å; H218-K224 WeakPolarHBondContact CE1-CE 3.33Å
225	V	96.4	Very high	94.5	Very high	30 Å²	30	63.8 Å²	63.8	18%	0.182	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	146.9	170.3	-61	0	0	0	0	108.9	F217 V219 V227 N399 T401	F217-V225 HydrophobicContact CB-CG2 3.94Å; F217-V225 HydrophobicContact CD1-CG2 4.44Å; F217-V225 PolarHBondContact N-O 2.91Å; F217-V225 PolarHBondContact O-N 2.85Å; V219-V225 HydrophobicContact CG2-CG1 3.99Å; V219-V225 HydrophobicContact CG2-CG2 3.98Å; V225-V227 HydrophobicContact CG2-CG1 4.07Å; V225-N399 WeakPolarHBondContact CG2-OD1 3.33Å; V225-T401 HydrophobicContact CB-CG2 4.38Å; V225-T401 HydrophobicContact CG2-CG2 4.15Å
226	E	97.9	Very high	94.3	Very high	121 Å²	121	63.1 Å²	63.1	57%	0.565	31%	0.312	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-82	131.5	173.1	-166.7	-174.1	79.2	0	0	109.5	K214	K214-E226 HydrophobicContact CB-CG 3.89Å; K214-E226 HydrophobicContact CD-CG 4.01Å; K214-E226 WeakPolarHBondContact CD-OE1 3.47Å; K214-E226 WeakPolarHBondContact CE-OE1 3.03Å; K214-E226 HydrophobicContact CG-CG 4.23Å
227	V	97.9	Very high	94.2	Very high	5 Å²	5	60.9 Å²	60.9	3%	0.03	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	155.4	179.5	-61.5	0	0	0	0	110.8	K214 A215 F217 V225 M229 P298 P400 T401	K214-V227 WeakPolarHBondContact CA-O 3.26Å; A215-V227 PolarHBondContact N-O 3.42Å; A215-V227 WeakPolarHBondContact O-CG2 3.5Å; A215-V227 PolarHBondContact O-N 2.87Å; F217-V227 HydrophobicContact CB-CG1 3.75Å; F217-V227 HydrophobicContact CB-CG2 3.98Å; F217-V227 HydrophobicContact CG-CG1 4.48Å; V225-V227 HydrophobicContact CG2-CG1 4.07Å; V227-M229 HydrophobicContact CG2-CE 3.81Å; V227-M229 PolarHBondContact O-N 2.97Å; V227-P298 HydrophobicContact CB-CB 4.25Å; V227-P298 HydrophobicContact CG2-CB 4.01Å; V227-P400 HydrophobicContact CG1-CB 3.91Å; V227-P400 HydrophobicContact CG1-CG 4.1Å; V227-T401 HydrophobicContact CG1-CG2 3.89Å
228	D	97.8	Very high	94.2	Very high	66 Å²	66	61.2 Å²	61.2	35%	0.353	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	105.2	164.3	-66.8	-48.4	0	0	0	108.7	T212 K214 P298 K299	T212-D228 HydrophobicContact CG2-CB 3.91Å; K214-D228 WeakPolarHBondContact CD-OD1 3.23Å; K214-D228 VanDerWaalsContact CE-OD1 3.29Å; K214-D228 WeakPolarHBondContact CE-OD1 3.31Å; K214-D228 VanDerWaalsContact NZ-CG 3.32Å; K214-D228 IonicContact NZ-OD1 2.94Å; K214-D228 PolarHBondContact NZ-OD1 3.37Å; K214-D228 IonicContact NZ-OD2 2.85Å; K214-D228 PolarHBondContact NZ-OD2 3.18Å; D228-P298 CarbonylContact O-C 3.59Å; D228-P298 WeakPolarHBondContact O-CA 3.46Å; D228-K299 HydrophobicContact CB-CB 4.24Å; D228-K299 HydrophobicContact CB-CD 3.72Å; D228-K299 HydrophobicContact CB-CG 4.12Å; D228-K299 PolarHBondContact O-N 2.73Å
229	M	98.3	Very high	94.3	Very high	11 Å²	11	60.5 Å²	60.5	5%	0.054	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	108.7	-177.1	-172	67.9	68.7	0	0	109.8	T212 E213 A215 V227 Y296 M297 N376	T212-M229 WeakPolarHBondContact CA-O 3.24Å; E213-M229 PolarHBondContact N-O 2.94Å; E213-M229 VanDerWaalsContact N-O 3.13Å; E213-M229 WeakPolarHBondContact O-CB 3.19Å; E213-M229 PolarHBondContact O-N 3.2Å; A215-M229 HydrophobicContact CB-CB 3.68Å; A215-M229 HydrophobicContact CB-CE 4.29Å; A215-M229 HydrophobicContact CB-CG 4.16Å; V227-M229 HydrophobicContact CG2-CE 3.81Å; V227-M229 PolarHBondContact O-N 2.97Å; M229-Y296 HydrophobicContact CG-CD1 4.33Å; M229-Y296 VanDerWaalsContact SD-C 3.51Å; M229-M297 PolarHBondContact SD-N 3.21Å; M229-M297 VanDerWaalsContact SD-N 3.36Å; M229-N376 HydrophobicContact CE-CB 4.18Å
230	M	97.3	Very high	94.4	Very high	0 Å²	0	62.9 Å²	62.9	0%	0	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.2	144.7	172.8	-50.1	-179	-67	0	0	109.5	F207 Y296 M297 K299 V349 E351	F207-M230 HydrophobicContact CB-CB 4.29Å; F207-M230 HydrophobicContact CD1-CB 3.66Å; F207-M230 HydrophobicContact CD2-CE 4.3Å; F207-M230 HydrophobicContact CD2-SD 4.28Å; F207-M230 HydrophobicContact CE1-CB 4.16Å; F207-M230 HydrophobicContact CE2-CE 4.2Å; F207-M230 HydrophobicContact CG-CB 4.01Å; F207-M230 HydrophobicContact CG-SD 4.3Å; F207-M230 HydrophobicContact CZ-CE 4.41Å; M230-Y296 CarbonylContact O-C 3.57Å; M230-Y296 VanDerWaalsContact O-CA 3.32Å; M230-Y296 WeakPolarHBondContact O-CA 3.35Å; M230-M297 WeakPolarHBondContact CA-O 3.41Å; M230-M297 WeakPolarHBondContact CB-O 3.4Å; M230-M297 HydrophobicContact CE-CB 4.07Å; M230-M297 HydrophobicContact CE-CG 3.83Å; M230-M297 HydrophobicContact CE-SD 4.11Å; M230-M297 PolarHBondContact N-O 3.09Å; M230-M297 PolarHBondContact O-N 2.99Å; M230-K299 HydrophobicContact CE-CG 4.49Å; M230-K299 HydrophobicContact CG-CD 4.2Å; M230-K299 HydrophobicContact CG-CG 3.51Å; M230-K299 HydrophobicContact SD-CG 3.72Å; M230-V349 HydrophobicContact CE-CG1 3.92Å; M230-E351 HydrophobicContact CG-CG 3.94Å; M230-E351 VanDerWaalsContact SD-CA 3.58Å; M230-E351 HydrophobicContact SD-CB 4.24Å; M230-E351 HydrophobicContact SD-CG 3.76Å; M230-E351 PolarHBondContact SD-N 2.72Å; M230-E351 VanDerWaalsContact SD-N 3.37Å
231	K	94.9	Very high	94.8	Very high	73 Å²	73	59.4 Å²	59.4	32%	0.317	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	136.9	179.2	-175.9	-176.6	178.2	-175.5	0	111.1	L211 L295 Y296	L211-K231 HydrophobicContact CB-CB 4.32Å; K231-L295 WeakPolarHBondContact CA-O 3.27Å; K231-Y296 HydrophobicContact CB-CD1 4.32Å; K231-Y296 HydrophobicContact CB-CE1 4.42Å; K231-Y296 HydrophobicContact CD-CD1 4.4Å; K231-Y296 HydrophobicContact CD-CE1 3.7Å; K231-Y296 WeakPolarHBondContact CE-OH 3.23Å; K231-Y296 HydrophobicContact CG-CD1 4.09Å; K231-Y296 HydrophobicContact CG-CE1 3.8Å
232	K	92.1	Very high	95.1	Very high	37 Å²	37	58.6 Å²	58.6	16%	0.161	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.3	126.5	172.2	-172.2	175.2	-176.1	69.1	0	111.3	P206 F207 F236 L295	P206-K232 WeakPolarHBondContact O-CE 3.44Å; P206-K232 PolarHBondContact O-NZ 3Å; F207-K232 HydrophobicContact CD1-CB 3.49Å; F207-K232 VanDerWaalsContact CD1-CB 3.49Å; F207-K232 HydrophobicContact CD1-CD 4.4Å; F207-K232 HydrophobicContact CE1-CB 3.68Å; F207-K232 HydrophobicContact CG-CB 4.32Å; K232-F236 HydrophobicContact CB-CZ 4.07Å; K232-F236 HydrophobicContact CD-CE1 4.32Å; K232-F236 HydrophobicContact CD-CZ 3.95Å; K232-F236 HydrophobicContact CG-CZ 3.9Å; K232-L295 PolarHBondContact N-O 2.8Å; K232-L295 PolarHBondContact O-N 3Å
233	M	91.4	Very high	95.3	Very high	88 Å²	88	58.3 Å²	58.3	43%	0.433	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	138.5	166.8	-172.7	-176.1	-62.9	0	0	108.7	L293 N294	M233-L293 WeakPolarHBondContact CA-O 3.36Å; M233-N294 WeakPolarHBondContact CE-OD1 3.48Å; M233-N294 WeakPolarHBondContact CG-OD1 3.35Å
234	G	89.6	Confident	95.3	Very high	24 Å²	24	57 Å²	57	25%	0.247	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	164.3	-170.3	174.6	0	0	0	0	0	113.7	F236 N292 L293	G234-F236 VanDerWaalsContact O-CD2 3.25Å; G234-F236 WeakPolarHBondContact O-CD2 3.48Å; G234-N292 CarbonylContact O-C 3.53Å; G234-N292 WeakPolarHBondContact O-CA 3.43Å; G234-L293 PolarHBondContact N-O 3.27Å; G234-L293 PolarHBondContact O-N 2.72Å
235	R	91.6	Very high	95.3	Very high	148 Å²	148	55.1 Å²	55.1	56%	0.558	27%	0.266	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-94.1	114.2	178.8	-160.4	175.1	-173.8	-163.8	-7.7	110.3	K290 N291	R235-K290 HydrophobicContact CG-CB 3.91Å; R235-K290 VanDerWaalsContact NE-CB 3.25Å; R235-K290 PolarHBondContact NE-O 3.37Å; R235-N291 CarbonylContact C-O 3.35Å; R235-N291 VanDerWaalsContact CA-O 3.27Å; R235-N291 WeakPolarHBondContact CA-O 3.43Å
236	F	94.2	Very high	95.3	Very high	19 Å²	19	53.7 Å²	53.7	8%	0.083	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	155.8	-177.2	-63.6	-87.3	0	0	0	111.1	K232 G234 Y238 L251 K290 N291 L293 L295	K232-F236 HydrophobicContact CB-CZ 4.07Å; K232-F236 HydrophobicContact CD-CE1 4.32Å; K232-F236 HydrophobicContact CD-CZ 3.95Å; K232-F236 HydrophobicContact CG-CZ 3.9Å; G234-F236 VanDerWaalsContact O-CD2 3.25Å; G234-F236 WeakPolarHBondContact O-CD2 3.48Å; F236-Y238 PolarHBondContact O-N 3.46Å; F236-L251 HydrophobicContact CD1-CD2 3.57Å; F236-L251 HydrophobicContact CE1-CD2 3.8Å; F236-K290 CarbonylContact O-C 3.59Å; F236-K290 WeakPolarHBondContact O-CA 3.32Å; F236-N291 PolarHBondContact N-O 2.99Å; F236-N291 PolarHBondContact O-N 3.29Å; F236-L293 HydrophobicContact CB-CD1 3.86Å; F236-L293 HydrophobicContact CB-CG 4.37Å; F236-L293 HydrophobicContact CD2-CB 3.82Å; F236-L293 HydrophobicContact CD2-CD1 4.13Å; F236-L293 HydrophobicContact CD2-CG 4.11Å; F236-L293 HydrophobicContact CE2-CB 4.33Å; F236-L293 HydrophobicContact CG-CD1 4.28Å; F236-L295 HydrophobicContact CD1-CD2 4.24Å; F236-L295 HydrophobicContact CE1-CB 4.43Å; F236-L295 HydrophobicContact CE1-CD2 3.79Å; F236-L295 HydrophobicContact CE2-CB 4.01Å; F236-L295 HydrophobicContact CZ-CB 3.89Å; F236-L295 HydrophobicContact CZ-CD2 4.07Å
237	D	96.7	Very high	95.3	Very high	31 Å²	31	48.5 Å²	48.5	17%	0.166	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	121	165	-66.9	-48.9	0	0	0	108.6	I249 S250 L288 K290	D237-I249 WeakPolarHBondContact O-CA 3.37Å; D237-S250 PolarHBondContact O-N 3.35Å; D237-L288 HydrophobicContact CB-CB 4.23Å; D237-L288 HydrophobicContact CB-CD1 4.24Å; D237-L288 HydrophobicContact CB-CD2 4.26Å; D237-L288 HydrophobicContact CB-CG 4.47Å; D237-K290 WeakPolarHBondContact OD1-CD 3.27Å; D237-K290 WeakPolarHBondContact OD1-CE 3.4Å; D237-K290 IonicContact OD1-NZ 2.86Å; D237-K290 PolarHBondContact OD1-NZ 3.34Å; D237-K290 IonicContact OD2-NZ 3.46Å; D237-K290 PolarHBondContact OD2-NZ 2.89Å
238	Y	97.2	Very high	95.3	Very high	6 Å²	6	48.2 Å²	48.2	2%	0.024	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141	145.2	-168.3	173.8	-94.8	0	0	0	110.6	F236 Q240 T247 I248 I249 Y289 N291 L293 V373	F236-Y238 PolarHBondContact O-N 3.46Å; Y238-Q240 HydrophobicContact CE1-CB 4.14Å; Y238-Q240 PolarHBondContact OH-OE1 3.29Å; Y238-T247 HydrophobicContact CD2-CG2 4.22Å; Y238-T247 HydrophobicContact CE2-CG2 3.48Å; Y238-T247 VanDerWaalsContact CE2-CG2 3.48Å; Y238-I248 WeakPolarHBondContact CA-O 3.31Å; Y238-I249 HydrophobicContact CD2-CG1 4.36Å; Y238-Y289 HydrophobicContact CD1-CE1 4.19Å; Y238-Y289 AromaticContact CD1-CZ 3.91Å; Y238-Y289 PolarHBondContact N-O 3.44Å; Y238-Y289 VanDerWaalsContact O-CD1 3.24Å; Y238-Y289 WeakPolarHBondContact O-CD1 3.42Å; Y238-Y289 WeakPolarHBondContact O-CE1 3.5Å; Y238-Y289 PolarHBondContact O-N 3.13Å; Y238-N291 HydrophobicContact CD1-CB 4.25Å; Y238-N291 HydrophobicContact CG-CB 4.44Å; Y238-L293 HydrophobicContact CD2-CD1 3.67Å; Y238-L293 HydrophobicContact CD2-CD2 4Å; Y238-L293 HydrophobicContact CD2-CG 4.48Å; Y238-L293 HydrophobicContact CE2-CD1 4.45Å; Y238-L293 HydrophobicContact CE2-CD2 4.3Å; Y238-L293 HydrophobicContact CG-CD1 4.17Å; Y238-L293 HydrophobicContact CG-CD2 4.21Å; Y238-V373 HydrophobicContact CE2-CG2 4.07Å
239	Y	97.8	Very high	95.3	Very high	49 Å²	49	45.1 Å²	45.1	19%	0.192	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.4	143.3	168.4	177.1	-114.4	0	0	0	110	D241 I248 W284 S287	Y239-D241 HydrophobicContact CD1-CB 4.32Å; Y239-D241 HydrophobicContact CE1-CB 3.73Å; Y239-I248 HydrophobicContact CD1-CG1 4.16Å; Y239-I248 PolarHBondContact N-O 3.45Å; Y239-I248 PolarHBondContact O-N 3.46Å; Y239-W284 AromaticContact CD1-CD1 3.99Å; Y239-W284 AromaticContact CE1-CD1 3.89Å; Y239-S287 WeakPolarHBondContact CD2-O 3.47Å
240	Q	96.9	Very high	95.3	Very high	67 Å²	67	44.9 Å²	44.9	31%	0.313	22%	0.215	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	114	173.7	-166.6	167.5	18.3	0	0	109.3	Y238 H242	Y238-Q240 HydrophobicContact CE1-CB 4.14Å; Y238-Q240 PolarHBondContact OH-OE1 3.29Å; Q240-H242 PolarHBondContact NE2-CE1 3.23Å; Q240-H242 PolarHBondContact O-N 3.25Å; Q240-H242 PolarHBondContact OE1-CE1 2.88Å; Q240-H242 PolarHBondContact OE1-NE2 3.15Å
241	D	96.8	Very high	95.2	Very high	3 Å²	3	45.2 Å²	45.2	2%	0.016	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	85.8	175.7	-170.6	-18.6	0	0	0	108.6	Y239 D243 N244 H245 T246 W284	Y239-D241 HydrophobicContact CD1-CB 4.32Å; Y239-D241 HydrophobicContact CE1-CB 3.73Å; D241-D243 VanDerWaalsContact C-N 3.28Å; D241-D243 PolarHBondContact O-N 3.4Å; D241-D243 PolarHBondContact OD1-N 2.68Å; D241-N244 CarbonylContact O-C 3.6Å; D241-N244 PolarHBondContact O-N 3.24Å; D241-N244 PolarHBondContact OD1-N 3.19Å; D241-N244 VanDerWaalsContact OD1-N 3.07Å; D241-N244 PolarHBondContact OD1-ND2 2.82Å; D241-N244 WeakPolarHBondContact OD2-CB 3.34Å; D241-N244 PolarHBondContact OD2-ND2 3.37Å; D241-H245 PolarHBondContact O-N 3.1Å; D241-T246 PolarHBondContact N-O 2.68Å; D241-T246 PolarHBondContact O-N 3.24Å; D241-W284 PolarHBondContact OD2-NE1 2.93Å
242	H	93.9	Very high	95.2	Very high	126 Å²	126	43.5 Å²	43.5	58%	0.583	21%	0.213	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.5	-33.9	-178.2	-69.8	-71.3	0	0	0	112.6	Q240 N244 H245	Q240-H242 PolarHBondContact NE2-CE1 3.23Å; Q240-H242 PolarHBondContact O-N 3.25Å; Q240-H242 PolarHBondContact OE1-CE1 2.88Å; Q240-H242 PolarHBondContact OE1-NE2 3.15Å; H242-N244 VanDerWaalsContact C-N 3.26Å; H242-N244 PolarHBondContact O-N 3.29Å; H242-H245 PolarHBondContact O-N 2.64Å
243	D	93.1	Very high	95.2	Very high	146 Å²	146	42 Å²	42	78%	0.781	21%	0.206	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.4	-31.3	-178.7	-67.1	-24	0	0	0	111.1	D241	D241-D243 VanDerWaalsContact C-N 3.28Å; D241-D243 PolarHBondContact O-N 3.4Å; D241-D243 PolarHBondContact OD1-N 2.68Å
244	N	94.1	Very high	95	Very high	35 Å²	35	41.9 Å²	41.9	19%	0.187	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	-111.5	17.9	-179.7	-55.4	-67	0	0	0	114.1	D241 H242 T246 F275	D241-N244 CarbonylContact O-C 3.6Å; D241-N244 PolarHBondContact O-N 3.24Å; D241-N244 PolarHBondContact OD1-N 3.19Å; D241-N244 VanDerWaalsContact OD1-N 3.07Å; D241-N244 PolarHBondContact OD1-ND2 2.82Å; D241-N244 WeakPolarHBondContact OD2-CB 3.34Å; D241-N244 PolarHBondContact OD2-ND2 3.37Å; H242-N244 VanDerWaalsContact C-N 3.26Å; H242-N244 PolarHBondContact O-N 3.29Å; N244-T246 VanDerWaalsContact C-N 3.35Å; N244-T246 PolarHBondContact O-N 3.32Å; N244-T246 PolarHBondContact O-OG1 3.45Å; N244-F275 HydrophobicContact CB-CE1 3.69Å; N244-F275 HydrophobicContact CB-CE2 4.17Å; N244-F275 HydrophobicContact CB-CZ 3.44Å; N244-F275 VanDerWaalsContact CB-CZ 3.44Å
245	H	94.8	Very high	94.8	Very high	72 Å²	72	42.2 Å²	42.2	33%	0.333	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	52.3	45.9	173.6	-56.5	-64	0	0	0	114.4	D241 H242 D265 K268	D241-H245 PolarHBondContact O-N 3.1Å; H242-H245 PolarHBondContact O-N 2.64Å; H245-D265 VanDerWaalsContact CA-OD2 3.32Å; H245-D265 WeakPolarHBondContact CA-OD2 3.43Å; H245-D265 HydrophobicContact CB-CB 4.11Å; H245-D265 WeakPolarHBondContact CB-OD2 3.43Å; H245-D265 IonicContact ND1-OD2 2.74Å; H245-D265 PolarHBondContact O-N 3.45Å; H245-K268 HydrophobicContact CB-CB 4.13Å; H245-K268 HydrophobicContact CB-CD 4.41Å; H245-K268 HydrophobicContact CB-CG 3.8Å
246	T	97.2	Very high	94.7	Very high	1 Å²	1	39.3 Å²	39.3	1%	0.006	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141	138.3	-171	-57.6	0	0	0	0	112.4	D241 N244 I248 V262 V272 W284	D241-T246 PolarHBondContact N-O 2.68Å; D241-T246 PolarHBondContact O-N 3.24Å; N244-T246 VanDerWaalsContact C-N 3.35Å; N244-T246 PolarHBondContact O-N 3.32Å; N244-T246 PolarHBondContact O-OG1 3.45Å; T246-I248 HydrophobicContact CG2-CD1 3.58Å; T246-V262 HydrophobicContact CG2-CG1 3.35Å; T246-V272 WeakPolarHBondContact OG1-CG2 3.24Å; T246-W284 HydrophobicContact CG2-CZ2 4.36Å
247	T	98.2	Very high	94.6	Very high	11 Å²	11	38.5 Å²	38.5	7%	0.067	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	131	169.5	-62	0	0	0	0	110.2	Y238 L263 V373	Y238-T247 HydrophobicContact CD2-CG2 4.22Å; Y238-T247 HydrophobicContact CE2-CG2 3.48Å; Y238-T247 VanDerWaalsContact CE2-CG2 3.48Å; T247-L263 PolarHBondContact N-O 3.39Å; T247-L263 PolarHBondContact O-N 2.82Å; T247-V373 HydrophobicContact CG2-CG1 4.14Å
248	I	98.4	Very high	94.5	Very high	0 Å²	0	37 Å²	37	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	132.1	179.7	-46.4	-63	0	0	0	109.7	Y238 Y239 T246 L260 I261 V262 W284 L288	Y238-I248 WeakPolarHBondContact CA-O 3.31Å; Y239-I248 HydrophobicContact CD1-CG1 4.16Å; Y239-I248 PolarHBondContact N-O 3.45Å; Y239-I248 PolarHBondContact O-N 3.46Å; T246-I248 HydrophobicContact CG2-CD1 3.58Å; I248-L260 HydrophobicContact CG2-CD1 3.53Å; I248-L260 HydrophobicContact CG2-CD2 4.43Å; I248-L260 HydrophobicContact CG2-CG 4Å; I248-I261 WeakPolarHBondContact CA-O 3.44Å; I248-V262 HydrophobicContact CD1-CB 4.16Å; I248-V262 HydrophobicContact CD1-CG1 3.81Å; I248-V262 HydrophobicContact CD1-CG2 4.02Å; I248-W284 HydrophobicContact CD1-CB 4.39Å; I248-W284 HydrophobicContact CD1-CD2 3.48Å; I248-W284 VanDerWaalsContact CD1-CD2 3.48Å; I248-W284 HydrophobicContact CD1-CE3 3.67Å; I248-W284 HydrophobicContact CD1-CG 3.84Å; I248-W284 HydrophobicContact CD1-CH2 4.37Å; I248-W284 HydrophobicContact CD1-CZ2 4.2Å; I248-W284 HydrophobicContact CD1-CZ3 4.13Å; I248-W284 HydrophobicContact CG1-CB 4.06Å; I248-W284 HydrophobicContact CG1-CD2 3.99Å; I248-W284 HydrophobicContact CG1-CG 3.76Å; I248-W284 HydrophobicContact CG2-CB 4.27Å; I248-L288 HydrophobicContact CB-CD2 4.5Å; I248-L288 HydrophobicContact CG2-CD2 4.06Å
249	I	98	Very high	94.5	Very high	1 Å²	1	36.8 Å²	36.8	1%	0.005	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	133.8	172.6	-60.1	161	0	0	0	108.5	D237 Y238 L251 I261 L295 V373	D237-I249 WeakPolarHBondContact O-CA 3.37Å; Y238-I249 HydrophobicContact CD2-CG1 4.36Å; I249-L251 HydrophobicContact CG2-CD2 3.79Å; I249-L251 HydrophobicContact CG2-CG 4.12Å; I249-I261 HydrophobicContact CB-CB 4.42Å; I249-I261 PolarHBondContact N-O 3.04Å; I249-I261 PolarHBondContact O-N 2.85Å; I249-L295 HydrophobicContact CD1-CD1 3.59Å; I249-V373 HydrophobicContact CD1-CB 3.99Å; I249-V373 HydrophobicContact CD1-CG1 3.36Å; I249-V373 HydrophobicContact CG1-CG1 4.42Å
250	S	97.3	Very high	94.5	Very high	6 Å²	6	34.4 Å²	34.4	4%	0.042	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	128	168.6	-174.7	0	0	0	0	110.8	D237 S258 M259	D237-S250 PolarHBondContact O-N 3.35Å; S250-S258 WeakPolarHBondContact OG-CB 3.5Å; S250-S258 PolarHBondContact OG-OG 2.99Å; S250-M259 WeakPolarHBondContact CA-O 3.27Å
251	L	95.8	Very high	94.5	Very high	7 Å²	7	31.2 Å²	31.2	4%	0.037	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	106.1	177.8	-58.3	-178.9	0	0	0	109.3	W203 F207 F236 I249 S258 M259 I261 L295 M297	W203-L251 HydrophobicContact CE3-CB 4.2Å; W203-L251 HydrophobicContact CH2-CB 4.36Å; W203-L251 HydrophobicContact CH2-CD1 4.3Å; W203-L251 HydrophobicContact CZ3-CB 3.71Å; W203-L251 HydrophobicContact CZ3-CD1 4.41Å; F207-L251 HydrophobicContact CZ-CD1 4.49Å; F236-L251 HydrophobicContact CD1-CD2 3.57Å; F236-L251 HydrophobicContact CE1-CD2 3.8Å; I249-L251 HydrophobicContact CG2-CD2 3.79Å; I249-L251 HydrophobicContact CG2-CG 4.12Å; L251-S258 CarbonylContact O-C 3.41Å; L251-S258 WeakPolarHBondContact O-CA 3.34Å; L251-M259 HydrophobicContact CB-CB 4.38Å; L251-M259 PolarHBondContact N-O 2.82Å; L251-M259 PolarHBondContact O-N 3.38Å; L251-I261 HydrophobicContact CD1-CD1 3.78Å; L251-I261 HydrophobicContact CG-CD1 4.36Å; L251-L295 HydrophobicContact CD1-CD2 4.09Å; L251-L295 HydrophobicContact CD2-CD2 3.72Å; L251-L295 HydrophobicContact CG-CD2 4.48Å; L251-M297 HydrophobicContact CD1-SD 3.66Å
252	P	94.4	Very high	94.6	Very high	37 Å²	37	31.1 Å²	31.1	24%	0.24	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.9	137.2	178.8	27.3	-33	0	0	0	111.6	E204	E204-P252 HydrophobicContact CB-CB 4.19Å; E204-P252 HydrophobicContact CB-CG 4.08Å; E204-P252 WeakPolarHBondContact CB-O 3.49Å; E204-P252 PolarHBondContact N-O 2.85Å; E204-P252 WeakPolarHBondContact OE2-CB 3.38Å; E204-P252 WeakPolarHBondContact OE2-CG 3.49Å
253	Y	91.6	Very high	94.8	Very high	4 Å²	4	25.2 Å²	25.2	2%	0.016	14%	0.139	C	C	.	.	B	Isolated β-bridge	trans	-85	165.5	160.5	-65.6	-78.4	0	0	0	109.5	F199 G201 Q202 W203 G255 T257 M259 I383	F199-Y253 HydrophobicContact CE1-CD2 4.13Å; F199-Y253 HydrophobicContact CE1-CE1 4.18Å; F199-Y253 AromaticContact CE1-CE2 3.66Å; F199-Y253 HydrophobicContact CE1-CE2 3.66Å; F199-Y253 AromaticContact CE1-CZ 3.68Å; F199-Y253 AromaticContact CZ-CD2 3.95Å; F199-Y253 HydrophobicContact CZ-CD2 3.95Å; F199-Y253 AromaticContact CZ-CE2 3.97Å; F199-Y253 HydrophobicContact CZ-CE2 3.97Å; F199-Y253 HydrophobicContact CZ-CG 4.23Å; G201-Y253 VanDerWaalsContact C-CD1 3.41Å; Q202-Y253 CarbonylContact O-C 3.39Å; Q202-Y253 WeakPolarHBondContact O-CA 3.39Å; Q202-Y253 WeakPolarHBondContact O-CB 3.32Å; Q202-Y253 WeakPolarHBondContact O-CD1 3.22Å; W203-Y253 HydrophobicContact CD2-CD1 4.19Å; W203-Y253 AromaticContact CD2-CE1 3.91Å; W203-Y253 HydrophobicContact CD2-CE1 3.91Å; W203-Y253 AromaticContact CE3-CD1 3.59Å; W203-Y253 HydrophobicContact CE3-CD1 3.59Å; W203-Y253 AromaticContact CE3-CE1 3.43Å; W203-Y253 HydrophobicContact CE3-CE1 3.43Å; W203-Y253 VanDerWaalsContact CE3-CE1 3.43Å; W203-Y253 HydrophobicContact CE3-CE2 4.47Å; W203-Y253 HydrophobicContact CE3-CG 4.22Å; W203-Y253 AromaticContact CE3-CZ 3.91Å; W203-Y253 AromaticContact CH2-CE1 3.62Å; W203-Y253 HydrophobicContact CH2-CE1 3.62Å; W203-Y253 HydrophobicContact CH2-CE2 4.25Å; W203-Y253 AromaticContact CH2-CZ 3.42Å; W203-Y253 VanDerWaalsContact CH2-CZ 3.42Å; W203-Y253 WeakPolarHBondContact CH2-OH 3.49Å; W203-Y253 HydrophobicContact CZ2-CE1 4.06Å; W203-Y253 AromaticContact CZ3-CD1 3.8Å; W203-Y253 HydrophobicContact CZ3-CD1 3.8Å; W203-Y253 HydrophobicContact CZ3-CD2 4.24Å; W203-Y253 AromaticContact CZ3-CE1 3.26Å; W203-Y253 HydrophobicContact CZ3-CE1 3.26Å; W203-Y253 AromaticContact CZ3-CE2 3.74Å; W203-Y253 HydrophobicContact CZ3-CE2 3.74Å; W203-Y253 HydrophobicContact CZ3-CG 4.28Å; W203-Y253 AromaticContact CZ3-CZ 3.22Å; Y253-G255 PolarHBondContact O-N 3.06Å; Y253-T257 WeakPolarHBondContact CB-O 3.44Å; Y253-T257 HydrophobicContact CD2-CG2 4.12Å; Y253-T257 PolarHBondContact N-O 2.9Å; Y253-M259 HydrophobicContact CE2-CB 3.92Å; Y253-M259 WeakPolarHBondContact OH-CE 3.24Å; Y253-I383 HydrophobicContact CE2-CD1 4.11Å
254	K	86.9	Confident	95	Very high	86 Å²	86	18.4 Å²	18.4	37%	0.374	10%	0.102	S	C	.	.	S	Bend	trans	-60.5	128.1	165.9	-67.9	-174.6	-178.1	169.5	0	109.3	Q119 Q202	Q119-K254 VanDerWaalsContact CD-O 3.31Å; Q119-K254 WeakPolarHBondContact CG-O 3.25Å; Q119-K254 PolarHBondContact NE2-O 3.18Å; Q202-K254 HydrophobicContact CB-CD 4.08Å; Q202-K254 HydrophobicContact CB-CG 4.28Å; Q202-K254 PolarHBondContact O-N 2.84Å
255	G	86.7	Confident	95.1	Very high	32 Å²	32	19.2 Å²	19.2	33%	0.33	11%	0.107	S	C	.	.	S	Bend	trans	98	-154.2	-174.2	0	0	0	0	0	112.6	E118 Y253 T257	E118-G255 WeakPolarHBondContact OE2-CA 3.31Å; E118-G255 PolarHBondContact OE2-N 3.34Å; Y253-G255 PolarHBondContact O-N 3.06Å; G255-T257 PolarHBondContact O-N 3.48Å
256	N	88.4	Confident	95	Very high	87 Å²	87	22.8 Å²	22.8	47%	0.465	12%	0.124	S	C	.	.	S	Bend	trans	-98.5	28.5	-169.7	-64.9	-24.9	0	0	0	114	E385 H386 S387	N256-E385 VanDerWaalsContact CB-OE1 3.23Å; N256-E385 WeakPolarHBondContact CB-OE1 3.25Å; N256-E385 WeakPolarHBondContact O-CA 3.41Å; N256-H386 PolarHBondContact O-CD2 3.12Å; N256-H386 PolarHBondContact O-N 3.08Å; N256-S387 WeakPolarHBondContact CB-OG 3.42Å; N256-S387 PolarHBondContact ND2-OG 3.22Å
257	T	92.1	Very high	94.7	Very high	1 Å²	1	28.6 Å²	28.6	1%	0.006	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	142.7	-177.6	-47.6	0	0	0	0	110.6	Q119 F199 Y253 G255 I383 I384 I392	Q119-T257 PolarHBondContact NE2-OG1 3.24Å; Q119-T257 VanDerWaalsContact NE2-OG1 3.13Å; Q119-T257 PolarHBondContact OE1-OG1 3.47Å; F199-T257 HydrophobicContact CZ-CG2 4.07Å; Y253-T257 WeakPolarHBondContact CB-O 3.44Å; Y253-T257 HydrophobicContact CD2-CG2 4.12Å; Y253-T257 PolarHBondContact N-O 2.9Å; G255-T257 PolarHBondContact O-N 3.48Å; T257-I383 HydrophobicContact CG2-CG2 3.41Å; T257-I383 VanDerWaalsContact CG2-CG2 3.41Å; T257-I384 CarbonylContact C-O 3.55Å; T257-I384 VanDerWaalsContact CA-O 3.27Å; T257-I384 WeakPolarHBondContact CA-O 3.4Å; T257-I384 WeakPolarHBondContact CG2-O 3.46Å; T257-I392 HydrophobicContact CG2-CD1 4.28Å
258	S	94.9	Very high	94.6	Very high	1 Å²	1	31.5 Å²	31.5	1%	0.007	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	155.8	169	60.2	0	0	0	0	111.9	S250 L251 I383 I384 H386	S250-S258 WeakPolarHBondContact OG-CB 3.5Å; S250-S258 PolarHBondContact OG-OG 2.99Å; L251-S258 CarbonylContact O-C 3.41Å; L251-S258 WeakPolarHBondContact O-CA 3.34Å; S258-I383 WeakPolarHBondContact O-CA 3.12Å; S258-I384 PolarHBondContact N-O 3.42Å; S258-I384 PolarHBondContact O-N 3.36Å; S258-H386 WeakPolarHBondContact CB-NE2 3Å; S258-H386 PolarHBondContact OG-CE1 3.38Å; S258-H386 PolarHBondContact OG-NE2 3.41Å
259	M	96.4	Very high	94.5	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	112.8	162.9	-179.3	-177.9	-73	0	0	108.8	W203 S250 L251 Y253 I261 M297 F300 L347 V349 V381 F382 I383	W203-M259 HydrophobicContact CH2-CB 4.13Å; W203-M259 HydrophobicContact CH2-CE 3.79Å; W203-M259 HydrophobicContact CH2-SD 3.9Å; W203-M259 HydrophobicContact CZ3-CB 4.09Å; S250-M259 WeakPolarHBondContact CA-O 3.27Å; L251-M259 HydrophobicContact CB-CB 4.38Å; L251-M259 PolarHBondContact N-O 2.82Å; L251-M259 PolarHBondContact O-N 3.38Å; Y253-M259 HydrophobicContact CE2-CB 3.92Å; Y253-M259 WeakPolarHBondContact OH-CE 3.24Å; M259-I261 HydrophobicContact CG-CD1 4.45Å; M259-I261 HydrophobicContact CG-CG1 3.91Å; M259-I261 HydrophobicContact SD-CD1 3.99Å; M259-I261 HydrophobicContact SD-CG1 3.98Å; M259-M297 HydrophobicContact CE-CE 4.33Å; M259-M297 HydrophobicContact SD-CE 3.5Å; M259-M297 WeakPolarHBondContact SD-CE 3.46Å; M259-F300 HydrophobicContact CE-CZ 4.48Å; M259-L347 HydrophobicContact CE-CD2 4.25Å; M259-V349 HydrophobicContact CE-CG2 3.6Å; M259-V381 HydrophobicContact CE-CG2 3.94Å; M259-V381 HydrophobicContact CG-CG2 3.52Å; M259-V381 HydrophobicContact SD-CG2 3.74Å; M259-F382 CarbonylContact C-O 3.51Å; M259-F382 WeakPolarHBondContact CA-O 3.27Å; M259-I383 HydrophobicContact CB-CD1 3.7Å; M259-I383 HydrophobicContact CE-CD1 3.66Å; M259-I383 HydrophobicContact CG-CD1 3.75Å
260	L	97.9	Very high	94.3	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	122.2	168	-166.2	75.4	0	0	0	109.1	I248 L281 L288 F382 I384	I248-L260 HydrophobicContact CG2-CD1 3.53Å; I248-L260 HydrophobicContact CG2-CD2 4.43Å; I248-L260 HydrophobicContact CG2-CG 4Å; L260-L281 HydrophobicContact CD2-CD1 3.53Å; L260-L281 HydrophobicContact CD2-CG 4.18Å; L260-L288 HydrophobicContact CD1-CD1 4.13Å; L260-F382 HydrophobicContact CB-CB 4.32Å; L260-F382 PolarHBondContact N-O 2.75Å; L260-F382 PolarHBondContact O-N 2.77Å; L260-I384 HydrophobicContact CB-CD1 3.98Å; L260-I384 HydrophobicContact CD2-CD1 4.05Å
261	I	98.4	Very high	94.2	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	126	178.7	-56.6	177.7	0	0	0	107.6	I248 I249 L251 M259 M297 L375 F379	I248-I261 WeakPolarHBondContact CA-O 3.44Å; I249-I261 HydrophobicContact CB-CB 4.42Å; I249-I261 PolarHBondContact N-O 3.04Å; I249-I261 PolarHBondContact O-N 2.85Å; L251-I261 HydrophobicContact CD1-CD1 3.78Å; L251-I261 HydrophobicContact CG-CD1 4.36Å; M259-I261 HydrophobicContact CG-CD1 4.45Å; M259-I261 HydrophobicContact CG-CG1 3.91Å; M259-I261 HydrophobicContact SD-CD1 3.99Å; M259-I261 HydrophobicContact SD-CG1 3.98Å; I261-M297 HydrophobicContact CD1-CE 3.89Å; I261-M297 HydrophobicContact CD1-SD 3.97Å; I261-L375 HydrophobicContact CD1-CD1 3.57Å; I261-L375 HydrophobicContact CG2-CD1 3.98Å; I261-L375 HydrophobicContact CG2-CD2 3.61Å; I261-L375 HydrophobicContact CG2-CG 4.47Å; I261-F379 HydrophobicContact CG2-CB 4.47Å; I261-F379 HydrophobicContact CG2-CD2 3.96Å; I261-F379 HydrophobicContact CG2-CG 4.43Å
262	V	98.6	Very high	94.2	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	108	175	-175.3	0	0	0	0	106	T246 I248 P264 V272 W284 L380 F382	T246-V262 HydrophobicContact CG2-CG1 3.35Å; I248-V262 HydrophobicContact CD1-CB 4.16Å; I248-V262 HydrophobicContact CD1-CG1 3.81Å; I248-V262 HydrophobicContact CD1-CG2 4.02Å; V262-P264 VanDerWaalsContact O-CD 3.31Å; V262-P264 WeakPolarHBondContact O-CD 3.2Å; V262-V272 HydrophobicContact CG1-CG1 3.96Å; V262-W284 HydrophobicContact CB-CZ3 4.35Å; V262-W284 HydrophobicContact CG1-CE3 4.49Å; V262-W284 HydrophobicContact CG1-CH2 3.66Å; V262-W284 HydrophobicContact CG1-CZ2 4.47Å; V262-W284 HydrophobicContact CG1-CZ3 3.68Å; V262-W284 HydrophobicContact CG2-CE3 4.02Å; V262-W284 HydrophobicContact CG2-CH2 4.49Å; V262-W284 HydrophobicContact CG2-CZ3 3.65Å; V262-L380 HydrophobicContact CB-CB 4.05Å; V262-L380 PolarHBondContact N-O 2.93Å; V262-L380 PolarHBondContact O-N 3.19Å; V262-F382 HydrophobicContact CG2-CD2 3.99Å; V262-F382 HydrophobicContact CG2-CE2 3.82Å
263	L	98.4	Very high	94.2	Very high	3 Å²	3	42.5 Å²	42.5	2%	0.016	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	97.9	-178.8	178.5	68.6	0	0	0	108.6	T247 V373 L375 R377 F379	T247-L263 PolarHBondContact N-O 3.39Å; T247-L263 PolarHBondContact O-N 2.82Å; L263-V373 HydrophobicContact CD2-CG1 3.87Å; L263-L375 HydrophobicContact CB-CD2 3.95Å; L263-L375 HydrophobicContact CD1-CD2 3.8Å; L263-L375 HydrophobicContact CD2-CD2 3.83Å; L263-L375 HydrophobicContact CG-CD2 4.04Å; L263-R377 HydrophobicContact CD1-CG 3.93Å; L263-F379 HydrophobicContact CD1-CB 4.01Å
264	P	97.8	Very high	94.4	Very high	2 Å²	2	45.2 Å²	45.2	1%	0.013	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.2	151.6	172.5	-21	32.8	0	0	0	110.9	V262 K268 M269 V272 R377	V262-P264 VanDerWaalsContact O-CD 3.31Å; V262-P264 WeakPolarHBondContact O-CD 3.2Å; P264-K268 HydrophobicContact CB-CB 4.21Å; P264-M269 HydrophobicContact CG-CE 3.87Å; P264-M269 HydrophobicContact CG-SD 3.97Å; P264-V272 HydrophobicContact CB-CB 4.48Å; P264-V272 HydrophobicContact CB-CG2 3.75Å; P264-V272 HydrophobicContact CG-CB 4.09Å; P264-V272 HydrophobicContact CG-CG1 4.39Å; P264-V272 HydrophobicContact CG-CG2 3.83Å; P264-R377 PolarHBondContact O-NE 3.07Å; P264-R377 PolarHBondContact O-NH2 2.89Å
265	D	96.2	Very high	94.8	Very high	53 Å²	53	42.8 Å²	42.8	28%	0.283	24%	0.237	S	C	.	.	P	Polyproline II helix	trans	-59.7	165.7	164.7	-66.5	-19	0	0	0	110.5	H245 N267 K268	H245-D265 VanDerWaalsContact CA-OD2 3.32Å; H245-D265 WeakPolarHBondContact CA-OD2 3.43Å; H245-D265 HydrophobicContact CB-CB 4.11Å; H245-D265 WeakPolarHBondContact CB-OD2 3.43Å; H245-D265 IonicContact ND1-OD2 2.74Å; H245-D265 PolarHBondContact O-N 3.45Å; D265-N267 PolarHBondContact O-N 3.42Å; D265-K268 HydrophobicContact CB-CB 4.37Å; D265-K268 HydrophobicContact CB-CG 3.94Å; D265-K268 WeakPolarHBondContact O-CB 3.41Å; D265-K268 PolarHBondContact O-N 2.78Å
266	E	92.6	Very high	95.2	Very high	147 Å²	147	41.3 Å²	41.3	69%	0.687	22%	0.222	S	C	*	.	T	Hydrogen-bonded Turn	trans	-53.2	131.2	179.8	-67.4	-175.8	173	0	0	111.3	K268	E266-K268 PolarHBondContact O-N 2.88Å
267	N	90.9	Very high	95.6	Very high	122 Å²	122	39.1 Å²	39.1	65%	0.652	21%	0.21	S	C	*	.	T	Hydrogen-bonded Turn	trans	59.2	21.5	-179.2	-58.1	-26.6	0	0	0	115.2	E221 D265	E221-N267 PolarHBondContact OE1-ND2 3.11Å; D265-N267 PolarHBondContact O-N 3.42Å
268	K	95.8	Very high	95.8	Very high	73 Å²	73	41 Å²	41	32%	0.317	22%	0.218	S	C	.	.			trans	-107	5.7	178.3	-60.5	-59.8	-174.8	176.6	0	115.4	H245 P264 D265 E266 E270 V271 V272	H245-K268 HydrophobicContact CB-CB 4.13Å; H245-K268 HydrophobicContact CB-CD 4.41Å; H245-K268 HydrophobicContact CB-CG 3.8Å; P264-K268 HydrophobicContact CB-CB 4.21Å; D265-K268 HydrophobicContact CB-CB 4.37Å; D265-K268 HydrophobicContact CB-CG 3.94Å; D265-K268 WeakPolarHBondContact O-CB 3.41Å; D265-K268 PolarHBondContact O-N 2.78Å; E266-K268 PolarHBondContact O-N 2.88Å; K268-E270 PolarHBondContact O-N 3.17Å; K268-V271 HydrophobicContact CD-CG2 4.13Å; K268-V271 WeakPolarHBondContact O-CB 3.48Å; K268-V271 PolarHBondContact O-N 2.8Å; K268-V271 VanDerWaalsContact O-N 3.09Å; K268-V272 WeakPolarHBondContact O-CG2 3.16Å; K268-V272 PolarHBondContact O-N 2.88Å
269	M	95.4	Very high	95.9	Very high	28 Å²	28	44.8 Å²	44.8	14%	0.138	24%	0.238	C	C	.	.	H	α-helix	trans	-52.5	-50.6	-179.8	179.5	59.6	75.1	0	0	112.7	P264 V271 V272 E273 P378 L380 K396	P264-M269 HydrophobicContact CG-CE 3.87Å; P264-M269 HydrophobicContact CG-SD 3.97Å; M269-V271 VanDerWaalsContact C-N 3.27Å; M269-V271 PolarHBondContact O-N 2.79Å; M269-V272 PolarHBondContact O-N 2.96Å; M269-V272 VanDerWaalsContact O-N 3.14Å; M269-E273 HydrophobicContact CG-CG 4.33Å; M269-E273 WeakPolarHBondContact O-CG 3.48Å; M269-E273 PolarHBondContact O-N 2.79Å; M269-E273 HydrophobicContact SD-CG 4.03Å; M269-P378 HydrophobicContact CE-CB 3.61Å; M269-P378 WeakPolarHBondContact CE-O 3.39Å; M269-L380 HydrophobicContact CE-CD2 4.21Å; M269-L380 HydrophobicContact CE-CG 4.47Å; M269-L380 HydrophobicContact SD-CD2 3.8Å; M269-L380 HydrophobicContact SD-CG 4.14Å; M269-K396 HydrophobicContact CE-CD 4.2Å; M269-K396 HydrophobicContact CE-CG 4.34Å; M269-K396 HydrophobicContact CG-CD 4.27Å; M269-K396 HydrophobicContact SD-CD 4.07Å
270	E	93.4	Very high	95.9	Very high	164 Å²	164	48.3 Å²	48.3	77%	0.766	25%	0.252	S	S	*	.	H	α-helix	trans	-63.2	-33.4	-179.4	-65.9	-179.6	179.5	0	0	112.7	K268 G274	K268-E270 PolarHBondContact O-N 3.17Å; E270-G274 PolarHBondContact O-N 3.09Å
271	V	94.8	Very high	95.8	Very high	70 Å²	70	48.9 Å²	48.9	42%	0.424	26%	0.255	S	S	.	.	H	α-helix	trans	-63.7	-47.6	175	-179.5	0	0	0	0	109.6	K268 M269 G274 F275	K268-V271 HydrophobicContact CD-CG2 4.13Å; K268-V271 WeakPolarHBondContact O-CB 3.48Å; K268-V271 PolarHBondContact O-N 2.8Å; K268-V271 VanDerWaalsContact O-N 3.09Å; M269-V271 VanDerWaalsContact C-N 3.27Å; M269-V271 PolarHBondContact O-N 2.79Å; V271-G274 PolarHBondContact O-N 2.93Å; V271-F275 HydrophobicContact CG1-CE1 4.46Å; V271-F275 WeakPolarHBondContact O-CD1 3.41Å; V271-F275 PolarHBondContact O-N 3.25Å
272	V	96.4	Very high	95.6	Very high	0 Å²	0	54.6 Å²	54.6	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-62.3	-46.8	178.2	179.3	0	0	0	0	111.7	T246 V262 P264 K268 M269 G274 F275 I276 W284 L380	T246-V272 WeakPolarHBondContact OG1-CG2 3.24Å; V262-V272 HydrophobicContact CG1-CG1 3.96Å; P264-V272 HydrophobicContact CB-CB 4.48Å; P264-V272 HydrophobicContact CB-CG2 3.75Å; P264-V272 HydrophobicContact CG-CB 4.09Å; P264-V272 HydrophobicContact CG-CG1 4.39Å; P264-V272 HydrophobicContact CG-CG2 3.83Å; K268-V272 WeakPolarHBondContact O-CG2 3.16Å; K268-V272 PolarHBondContact O-N 2.88Å; M269-V272 PolarHBondContact O-N 2.96Å; M269-V272 VanDerWaalsContact O-N 3.14Å; V272-G274 PolarHBondContact O-N 3.3Å; V272-F275 VanDerWaalsContact CA-CE1 3.44Å; V272-F275 HydrophobicContact CB-CE1 4.28Å; V272-F275 HydrophobicContact CB-CZ 4.35Å; V272-F275 HydrophobicContact CG1-CZ 4.18Å; V272-F275 HydrophobicContact CG2-CE1 4.18Å; V272-F275 HydrophobicContact CG2-CZ 4.26Å; V272-F275 PolarHBondContact O-N 3.05Å; V272-I276 VanDerWaalsContact O-CB 3.25Å; V272-I276 WeakPolarHBondContact O-CB 3.33Å; V272-I276 WeakPolarHBondContact O-CG2 3.3Å; V272-I276 PolarHBondContact O-N 2.78Å; V272-W284 HydrophobicContact CG1-CH2 4.23Å; V272-L380 HydrophobicContact CG1-CD1 4.13Å
273	E	95.5	Very high	95.5	Very high	19 Å²	19	58.5 Å²	58.5	9%	0.089	30%	0.295	C	S	.	.	H	α-helix	trans	-60.6	-30.2	176.1	-69.7	178.8	158	0	0	112.6	Y48 N52 M269 K396	Y48-E273 HydrophobicContact CE1-CG 4.13Å; Y48-E273 PolarHBondContact OH-OE1 3.4Å; N52-E273 PolarHBondContact ND2-OE1 2.95Å; N52-E273 PolarHBondContact ND2-OE2 2.9Å; M269-E273 HydrophobicContact CG-CG 4.33Å; M269-E273 WeakPolarHBondContact O-CG 3.48Å; M269-E273 PolarHBondContact O-N 2.79Å; M269-E273 HydrophobicContact SD-CG 4.03Å; E273-K396 VanDerWaalsContact OE1-CD 3.25Å; E273-K396 WeakPolarHBondContact OE1-CD 3.36Å; E273-K396 WeakPolarHBondContact OE1-CE 3.35Å; E273-K396 IonicContact OE1-NZ 2.82Å; E273-K396 PolarHBondContact OE1-NZ 2.79Å; E273-K396 IonicContact OE2-NZ 2.58Å
274	G	94.6	Very high	95.5	Very high	62 Å²	62	58.4 Å²	58.4	64%	0.639	29%	0.294	S	S	*	.	H	α-helix	trans	-68.3	-33.3	-179.4	0	0	0	0	0	114.6	E270 V271 V272	E270-G274 PolarHBondContact O-N 3.09Å; V271-G274 PolarHBondContact O-N 2.93Å; V272-G274 PolarHBondContact O-N 3.3Å
275	F	94.8	Very high	95.3	Very high	34 Å²	34	61.8 Å²	61.8	15%	0.149	31%	0.31	C	S	.	.	H	α-helix	trans	-109.4	-21.1	-178.6	72	-103.6	0	0	0	114.1	N244 V271 V272 N277 Y280 W284	N244-F275 HydrophobicContact CB-CE1 3.69Å; N244-F275 HydrophobicContact CB-CE2 4.17Å; N244-F275 HydrophobicContact CB-CZ 3.44Å; N244-F275 VanDerWaalsContact CB-CZ 3.44Å; V271-F275 HydrophobicContact CG1-CE1 4.46Å; V271-F275 WeakPolarHBondContact O-CD1 3.41Å; V271-F275 PolarHBondContact O-N 3.25Å; V272-F275 VanDerWaalsContact CA-CE1 3.44Å; V272-F275 HydrophobicContact CB-CE1 4.28Å; V272-F275 HydrophobicContact CB-CZ 4.35Å; V272-F275 HydrophobicContact CG1-CZ 4.18Å; V272-F275 HydrophobicContact CG2-CE1 4.18Å; V272-F275 HydrophobicContact CG2-CZ 4.26Å; V272-F275 PolarHBondContact O-N 3.05Å; F275-N277 PolarHBondContact O-N 2.84Å; F275-N277 PolarHBondContact O-ND2 3.37Å; F275-N277 VanDerWaalsContact O-ND2 3.1Å; F275-Y280 HydrophobicContact CB-CE2 4.38Å; F275-Y280 AromaticContact CD2-CD1 3.82Å; F275-Y280 HydrophobicContact CD2-CD1 3.82Å; F275-Y280 AromaticContact CD2-CD2 3.74Å; F275-Y280 HydrophobicContact CD2-CD2 3.74Å; F275-Y280 AromaticContact CD2-CE1 3.81Å; F275-Y280 HydrophobicContact CD2-CE1 3.81Å; F275-Y280 AromaticContact CD2-CE2 3.74Å; F275-Y280 HydrophobicContact CD2-CE2 3.74Å; F275-Y280 AromaticContact CD2-CG 3.77Å; F275-Y280 HydrophobicContact CD2-CG 3.77Å; F275-Y280 AromaticContact CD2-CZ 3.76Å; F275-Y280 AromaticContact CE2-CD1 3.7Å; F275-Y280 HydrophobicContact CE2-CD1 3.7Å; F275-Y280 HydrophobicContact CE2-CD2 4.39Å; F275-Y280 AromaticContact CE2-CE1 3.9Å; F275-Y280 HydrophobicContact CE2-CE1 3.9Å; F275-Y280 AromaticContact CE2-CG 3.95Å; F275-Y280 HydrophobicContact CE2-CG 3.95Å; F275-Y280 HydrophobicContact CG-CE2 4.44Å; F275-W284 AromaticContact CE2-CH2 3.95Å; F275-W284 HydrophobicContact CE2-CH2 3.95Å; F275-W284 AromaticContact CE2-CZ2 3.6Å; F275-W284 HydrophobicContact CE2-CZ2 3.6Å; F275-W284 HydrophobicContact CZ-CH2 4.28Å; F275-W284 AromaticContact CZ-CZ2 3.88Å; F275-W284 HydrophobicContact CZ-CZ2 3.88Å
276	I	96.5	Very high	95.3	Very high	1 Å²	1	64.8 Å²	64.8	1%	0.005	33%	0.326	C	S	.	.			trans	-56.2	129.6	-171.8	-165	175	0	0	0	111.7	F45 R49 V272 W284 L380 F382	F45-I276 HydrophobicContact CD1-CG1 4.35Å; F45-I276 HydrophobicContact CD1-CG2 4.31Å; F45-I276 HydrophobicContact CE1-CD1 3.99Å; F45-I276 HydrophobicContact CE1-CG1 3.68Å; F45-I276 HydrophobicContact CE1-CG2 4.41Å; F45-I276 HydrophobicContact CZ-CG1 4.39Å; R49-I276 PolarHBondContact NH2-O 2.9Å; V272-I276 VanDerWaalsContact O-CB 3.25Å; V272-I276 WeakPolarHBondContact O-CB 3.33Å; V272-I276 WeakPolarHBondContact O-CG2 3.3Å; V272-I276 PolarHBondContact O-N 2.78Å; I276-W284 HydrophobicContact CD1-CH2 4.04Å; I276-W284 HydrophobicContact CD1-CZ3 3.73Å; I276-W284 HydrophobicContact CG1-CH2 4.03Å; I276-W284 HydrophobicContact CG1-CZ3 3.92Å; I276-L380 HydrophobicContact CD1-CD1 3.71Å; I276-F382 HydrophobicContact CD1-CE2 3.74Å; I276-F382 HydrophobicContact CD1-CZ 3.55Å
277	N	96.7	Very high	95.5	Very high	42 Å²	42	59.3 Å²	59.3	23%	0.225	30%	0.304	C	S	.	.			trans	-157.7	-178.8	-179.8	66	48.6	0	0	0	110.2	F275 D279 Y280 L281	F275-N277 PolarHBondContact O-N 2.84Å; F275-N277 PolarHBondContact O-ND2 3.37Å; F275-N277 VanDerWaalsContact O-ND2 3.1Å; N277-D279 VanDerWaalsContact C-N 3.29Å; N277-D279 PolarHBondContact O-N 2.58Å; N277-D279 WeakPolarHBondContact OD1-CA 3.37Å; N277-D279 WeakPolarHBondContact OD1-CB 3.24Å; N277-D279 PolarHBondContact OD1-N 2.82Å; N277-Y280 PolarHBondContact O-N 3.13Å; N277-Y280 PolarHBondContact OD1-N 3.15Å; N277-L281 PolarHBondContact O-N 3.38Å
278	K	95.9	Very high	95.8	Very high	39 Å²	39	55.1 Å²	55.1	17%	0.17	28%	0.281	C	S	.	.	H	α-helix	trans	-63.3	-31.2	-176.8	69	173.7	174.7	-162.4	0	114.1	S38 A41 D42 F45 R282	S38-K278 PolarHBondContact OG-NZ 3.23Å; A41-K278 HydrophobicContact CB-CB 3.75Å; A41-K278 HydrophobicContact CB-CD 4.42Å; D42-K278 WeakPolarHBondContact OD1-CD 3.34Å; D42-K278 WeakPolarHBondContact OD1-CE 3.39Å; D42-K278 IonicContact OD1-NZ 2.69Å; D42-K278 PolarHBondContact OD1-NZ 2.97Å; D42-K278 IonicContact OD2-NZ 3.36Å; D42-K278 PolarHBondContact OD2-NZ 3.33Å; F45-K278 HydrophobicContact CD2-CB 4.3Å; F45-K278 VanDerWaalsContact CE2-CA 3.47Å; F45-K278 HydrophobicContact CE2-CB 4.01Å; K278-R282 WeakPolarHBondContact O-CB 3.48Å; K278-R282 PolarHBondContact O-N 3.06Å
279	D	96.7	Very high	95.8	Very high	81 Å²	81	57.1 Å²	57.1	43%	0.433	29%	0.288	S	S	.	.	H	α-helix	trans	-76.8	-39.2	-177.8	-64.2	-48.8	0	0	0	110	N277 R282 H283	N277-D279 VanDerWaalsContact C-N 3.29Å; N277-D279 PolarHBondContact O-N 2.58Å; N277-D279 WeakPolarHBondContact OD1-CA 3.37Å; N277-D279 WeakPolarHBondContact OD1-CB 3.24Å; N277-D279 PolarHBondContact OD1-N 2.82Å; D279-R282 PolarHBondContact O-N 2.81Å; D279-R282 IonicContact OD1-CZ 2.7Å; D279-R282 IonicContact OD1-NH1 3.43Å; D279-R282 PolarHBondContact OD1-NH1 3.38Å; D279-R282 IonicContact OD1-NH2 3.31Å; D279-R282 PolarHBondContact OD1-NH2 2.98Å; D279-H283 VanDerWaalsContact O-CB 3.31Å; D279-H283 WeakPolarHBondContact O-CB 3.13Å; D279-H283 PolarHBondContact O-N 3.11Å
280	Y	95.9	Very high	95.8	Very high	74 Å²	74	59.9 Å²	59.9	29%	0.29	30%	0.299	S	S	.	.	H	α-helix	trans	-63.9	-44.1	169.7	-84.5	-82.2	0	0	0	112.2	F275 N277 R282 H283 W284	F275-Y280 HydrophobicContact CB-CE2 4.38Å; F275-Y280 AromaticContact CD2-CD1 3.82Å; F275-Y280 HydrophobicContact CD2-CD1 3.82Å; F275-Y280 AromaticContact CD2-CD2 3.74Å; F275-Y280 HydrophobicContact CD2-CD2 3.74Å; F275-Y280 AromaticContact CD2-CE1 3.81Å; F275-Y280 HydrophobicContact CD2-CE1 3.81Å; F275-Y280 AromaticContact CD2-CE2 3.74Å; F275-Y280 HydrophobicContact CD2-CE2 3.74Å; F275-Y280 AromaticContact CD2-CG 3.77Å; F275-Y280 HydrophobicContact CD2-CG 3.77Å; F275-Y280 AromaticContact CD2-CZ 3.76Å; F275-Y280 AromaticContact CE2-CD1 3.7Å; F275-Y280 HydrophobicContact CE2-CD1 3.7Å; F275-Y280 HydrophobicContact CE2-CD2 4.39Å; F275-Y280 AromaticContact CE2-CE1 3.9Å; F275-Y280 HydrophobicContact CE2-CE1 3.9Å; F275-Y280 AromaticContact CE2-CG 3.95Å; F275-Y280 HydrophobicContact CE2-CG 3.95Å; F275-Y280 HydrophobicContact CG-CE2 4.44Å; N277-Y280 PolarHBondContact O-N 3.13Å; N277-Y280 PolarHBondContact OD1-N 3.15Å; Y280-R282 VanDerWaalsContact C-N 3.27Å; Y280-R282 PolarHBondContact O-N 3.46Å; Y280-H283 PolarHBondContact O-N 3.04Å; Y280-W284 WeakPolarHBondContact O-CB 3.28Å; Y280-W284 VanDerWaalsContact O-CG 3.25Å; Y280-W284 PolarHBondContact O-N 3.19Å
281	L	95.7	Very high	95.7	Very high	13 Å²	13	54 Å²	54	7%	0.068	27%	0.273	C	S	.	.	H	α-helix	trans	-59.5	-41.1	177.3	-162.7	76.7	0	0	0	111.4	F45 L260 N277 W284 H285 F382 I384 I391	F45-L281 HydrophobicContact CZ-CB 4.09Å; F45-L281 HydrophobicContact CZ-CD2 4.08Å; F45-L281 HydrophobicContact CZ-CG 4.46Å; L260-L281 HydrophobicContact CD2-CD1 3.53Å; L260-L281 HydrophobicContact CD2-CG 4.18Å; N277-L281 PolarHBondContact O-N 3.38Å; L281-W284 HydrophobicContact CD1-CE3 4.34Å; L281-H285 WeakPolarHBondContact O-CB 3.46Å; L281-H285 PolarHBondContact O-N 2.88Å; L281-F382 HydrophobicContact CD1-CD1 4.39Å; L281-F382 HydrophobicContact CD1-CD2 3.84Å; L281-F382 HydrophobicContact CD1-CE2 4.1Å; L281-F382 HydrophobicContact CD1-CG 4.01Å; L281-F382 HydrophobicContact CD1-CZ 4.48Å; L281-I384 HydrophobicContact CD2-CD1 4.06Å; L281-I384 HydrophobicContact CG-CD1 4.39Å; L281-I391 HydrophobicContact CD2-CD1 3.67Å; L281-I391 HydrophobicContact CD2-CG1 4.11Å
282	R	95.3	Very high	95.6	Very high	120 Å²	120	53.2 Å²	53.2	45%	0.453	27%	0.266	S	S	.	.	H	α-helix	trans	-65.9	-48.3	174.7	-169.6	-170.7	-44.5	127.7	19.4	111.7	K278 D279 Y280 W284 H285 D286	K278-R282 WeakPolarHBondContact O-CB 3.48Å; K278-R282 PolarHBondContact O-N 3.06Å; D279-R282 PolarHBondContact O-N 2.81Å; D279-R282 IonicContact OD1-CZ 2.7Å; D279-R282 IonicContact OD1-NH1 3.43Å; D279-R282 PolarHBondContact OD1-NH1 3.38Å; D279-R282 IonicContact OD1-NH2 3.31Å; D279-R282 PolarHBondContact OD1-NH2 2.98Å; Y280-R282 VanDerWaalsContact C-N 3.27Å; Y280-R282 PolarHBondContact O-N 3.46Å; R282-W284 VanDerWaalsContact C-N 3.32Å; R282-W284 PolarHBondContact O-N 2.83Å; R282-H285 WeakPolarHBondContact O-CB 3.1Å; R282-H285 PolarHBondContact O-N 3.27Å; R282-H285 VanDerWaalsContact O-N 3.15Å; R282-D286 VanDerWaalsContact O-CG 3.29Å; R282-D286 PolarHBondContact O-N 3.04Å
283	H	96.8	Very high	95.4	Very high	82 Å²	82	53.2 Å²	53.2	38%	0.38	27%	0.266	S	S	.	.	H	α-helix	trans	-57.1	-46	177.9	172.3	59.9	0	0	0	111.8	D279 Y280 D286 S287	D279-H283 VanDerWaalsContact O-CB 3.31Å; D279-H283 WeakPolarHBondContact O-CB 3.13Å; D279-H283 PolarHBondContact O-N 3.11Å; Y280-H283 PolarHBondContact O-N 3.04Å; H283-D286 PolarHBondContact O-N 3.44Å; H283-S287 PolarHBondContact CE1-OG 3.38Å; H283-S287 VanDerWaalsContact CE1-OG 3.25Å; H283-S287 VanDerWaalsContact O-CB 3.28Å; H283-S287 WeakPolarHBondContact O-CB 3.42Å; H283-S287 PolarHBondContact O-N 2.99Å; H283-S287 PolarHBondContact O-OG 3.49Å
284	W	96.9	Very high	95.4	Very high	0 Å²	0	53.1 Å²	53.1	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-60.7	-45.7	175.4	-69.3	-23.2	0	0	0	111.7	Y239 D241 T246 I248 V262 V272 F275 I276 Y280 L281 R282 D286 S287 L288	Y239-W284 AromaticContact CD1-CD1 3.99Å; Y239-W284 AromaticContact CE1-CD1 3.89Å; D241-W284 PolarHBondContact OD2-NE1 2.93Å; T246-W284 HydrophobicContact CG2-CZ2 4.36Å; I248-W284 HydrophobicContact CD1-CB 4.39Å; I248-W284 HydrophobicContact CD1-CD2 3.48Å; I248-W284 VanDerWaalsContact CD1-CD2 3.48Å; I248-W284 HydrophobicContact CD1-CE3 3.67Å; I248-W284 HydrophobicContact CD1-CG 3.84Å; I248-W284 HydrophobicContact CD1-CH2 4.37Å; I248-W284 HydrophobicContact CD1-CZ2 4.2Å; I248-W284 HydrophobicContact CD1-CZ3 4.13Å; I248-W284 HydrophobicContact CG1-CB 4.06Å; I248-W284 HydrophobicContact CG1-CD2 3.99Å; I248-W284 HydrophobicContact CG1-CG 3.76Å; I248-W284 HydrophobicContact CG2-CB 4.27Å; V262-W284 HydrophobicContact CB-CZ3 4.35Å; V262-W284 HydrophobicContact CG1-CE3 4.49Å; V262-W284 HydrophobicContact CG1-CH2 3.66Å; V262-W284 HydrophobicContact CG1-CZ2 4.47Å; V262-W284 HydrophobicContact CG1-CZ3 3.68Å; V262-W284 HydrophobicContact CG2-CE3 4.02Å; V262-W284 HydrophobicContact CG2-CH2 4.49Å; V262-W284 HydrophobicContact CG2-CZ3 3.65Å; V272-W284 HydrophobicContact CG1-CH2 4.23Å; F275-W284 AromaticContact CE2-CH2 3.95Å; F275-W284 HydrophobicContact CE2-CH2 3.95Å; F275-W284 AromaticContact CE2-CZ2 3.6Å; F275-W284 HydrophobicContact CE2-CZ2 3.6Å; F275-W284 HydrophobicContact CZ-CH2 4.28Å; F275-W284 AromaticContact CZ-CZ2 3.88Å; F275-W284 HydrophobicContact CZ-CZ2 3.88Å; I276-W284 HydrophobicContact CD1-CH2 4.04Å; I276-W284 HydrophobicContact CD1-CZ3 3.73Å; I276-W284 HydrophobicContact CG1-CH2 4.03Å; I276-W284 HydrophobicContact CG1-CZ3 3.92Å; Y280-W284 WeakPolarHBondContact O-CB 3.28Å; Y280-W284 VanDerWaalsContact O-CG 3.25Å; Y280-W284 PolarHBondContact O-N 3.19Å; L281-W284 HydrophobicContact CD1-CE3 4.34Å; R282-W284 VanDerWaalsContact C-N 3.32Å; R282-W284 PolarHBondContact O-N 2.83Å; W284-D286 PolarHBondContact O-N 2.71Å; W284-S287 PolarHBondContact O-N 3.36Å; W284-L288 WeakPolarHBondContact O-CG 3.23Å; W284-L288 PolarHBondContact O-N 2.87Å
285	H	94	Very high	95.6	Very high	74 Å²	74	50.1 Å²	50.1	34%	0.343	24%	0.236	S	C	.	.	H	α-helix	trans	-58.7	-46.8	176.8	-177.3	70.1	0	0	0	112.3	L281 R282 S287 L288 H386	L281-H285 WeakPolarHBondContact O-CB 3.46Å; L281-H285 PolarHBondContact O-N 2.88Å; R282-H285 WeakPolarHBondContact O-CB 3.1Å; R282-H285 PolarHBondContact O-N 3.27Å; R282-H285 VanDerWaalsContact O-N 3.15Å; H285-S287 PolarHBondContact O-N 3.27Å; H285-L288 WeakPolarHBondContact O-CB 3.06Å; H285-L288 PolarHBondContact O-N 3.4Å; H285-H386 AromaticContact CE1-CE1 3.53Å; H285-H386 AromaticContact CE1-ND1 3.7Å
286	D	95.9	Very high	95.7	Very high	115 Å²	115	50 Å²	50	62%	0.615	23%	0.234	S	C	*	.	H	α-helix	trans	-70.5	-21.6	-178.7	-65.1	-16.8	0	0	0	112.7	R282 H283 W284	R282-D286 VanDerWaalsContact O-CG 3.29Å; R282-D286 PolarHBondContact O-N 3.04Å; H283-D286 PolarHBondContact O-N 3.44Å; W284-D286 PolarHBondContact O-N 2.71Å
287	S	97.8	Very high	95.8	Very high	33 Å²	33	49.9 Å²	49.9	23%	0.231	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92	-5	-179.6	-55.2	0	0	0	0	113.7	Y239 H283 W284 H285 Y289	Y239-S287 WeakPolarHBondContact CD2-O 3.47Å; H283-S287 PolarHBondContact CE1-OG 3.38Å; H283-S287 VanDerWaalsContact CE1-OG 3.25Å; H283-S287 VanDerWaalsContact O-CB 3.28Å; H283-S287 WeakPolarHBondContact O-CB 3.42Å; H283-S287 PolarHBondContact O-N 2.99Å; H283-S287 PolarHBondContact O-OG 3.49Å; W284-S287 PolarHBondContact O-N 3.36Å; H285-S287 PolarHBondContact O-N 3.27Å; S287-Y289 PolarHBondContact O-N 3.37Å
288	L	97	Very high	95.8	Very high	33 Å²	33	47.9 Å²	47.9	17%	0.173	22%	0.223	C	C	.	.			trans	-61.7	134	177.5	-71.4	169	0	0	0	111	D237 I248 L260 W284 H285	D237-L288 HydrophobicContact CB-CB 4.23Å; D237-L288 HydrophobicContact CB-CD1 4.24Å; D237-L288 HydrophobicContact CB-CD2 4.26Å; D237-L288 HydrophobicContact CB-CG 4.47Å; I248-L288 HydrophobicContact CB-CD2 4.5Å; I248-L288 HydrophobicContact CG2-CD2 4.06Å; L260-L288 HydrophobicContact CD1-CD1 4.13Å; W284-L288 WeakPolarHBondContact O-CG 3.23Å; W284-L288 PolarHBondContact O-N 2.87Å; H285-L288 WeakPolarHBondContact O-CB 3.06Å; H285-L288 PolarHBondContact O-N 3.4Å
289	Y	95.9	Very high	95.7	Very high	116 Å²	116	49.2 Å²	49.2	46%	0.455	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	157.2	170.4	67.9	-83.6	0	0	0	110.8	Y238 S287 N291	Y238-Y289 HydrophobicContact CD1-CE1 4.19Å; Y238-Y289 AromaticContact CD1-CZ 3.91Å; Y238-Y289 PolarHBondContact N-O 3.44Å; Y238-Y289 VanDerWaalsContact O-CD1 3.24Å; Y238-Y289 WeakPolarHBondContact O-CD1 3.42Å; Y238-Y289 WeakPolarHBondContact O-CE1 3.5Å; Y238-Y289 PolarHBondContact O-N 3.13Å; S287-Y289 PolarHBondContact O-N 3.37Å; Y289-N291 HydrophobicContact CD2-CB 4.29Å; Y289-N291 HydrophobicContact CE2-CB 3.82Å; Y289-N291 PolarHBondContact O-N 3.37Å
290	K	94.6	Very high	95.5	Very high	86 Å²	86	45.8 Å²	45.8	37%	0.374	21%	0.21	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	110.8	-176.3	-68.6	-71.6	-174	-161.4	0	111.5	R235 F236 D237	R235-K290 HydrophobicContact CG-CB 3.91Å; R235-K290 VanDerWaalsContact NE-CB 3.25Å; R235-K290 PolarHBondContact NE-O 3.37Å; F236-K290 CarbonylContact O-C 3.59Å; F236-K290 WeakPolarHBondContact O-CA 3.32Å; D237-K290 WeakPolarHBondContact OD1-CD 3.27Å; D237-K290 WeakPolarHBondContact OD1-CE 3.4Å; D237-K290 IonicContact OD1-NZ 2.86Å; D237-K290 PolarHBondContact OD1-NZ 3.34Å; D237-K290 IonicContact OD2-NZ 3.46Å; D237-K290 PolarHBondContact OD2-NZ 2.89Å
291	N	92.4	Very high	95.1	Very high	40 Å²	40	45.3 Å²	45.3	21%	0.214	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	156.8	178.6	-158.4	1.9	0	0	0	112.7	R235 F236 Y238 Y289 L293	R235-N291 CarbonylContact C-O 3.35Å; R235-N291 VanDerWaalsContact CA-O 3.27Å; R235-N291 WeakPolarHBondContact CA-O 3.43Å; F236-N291 PolarHBondContact N-O 2.99Å; F236-N291 PolarHBondContact O-N 3.29Å; Y238-N291 HydrophobicContact CD1-CB 4.25Å; Y238-N291 HydrophobicContact CG-CB 4.44Å; Y289-N291 HydrophobicContact CD2-CB 4.29Å; Y289-N291 HydrophobicContact CE2-CB 3.82Å; Y289-N291 PolarHBondContact O-N 3.37Å; N291-L293 HydrophobicContact CB-CD2 4.35Å
292	N	91.6	Very high	94.6	Very high	53 Å²	53	44.8 Å²	44.8	28%	0.283	22%	0.215	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	116.4	178.1	-68	-38.9	0	0	0	110.8	G234 P366 I371	G234-N292 CarbonylContact O-C 3.53Å; G234-N292 WeakPolarHBondContact O-CA 3.43Å; N292-P366 HydrophobicContact CB-CB 4.25Å; N292-I371 PolarHBondContact O-N 2.98Å
293	L	93.6	Very high	94.1	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	153.4	-176.8	-45.4	177.8	0	0	0	111.7	M233 G234 F236 Y238 N291 I371 V373	M233-L293 WeakPolarHBondContact CA-O 3.36Å; G234-L293 PolarHBondContact N-O 3.27Å; G234-L293 PolarHBondContact O-N 2.72Å; F236-L293 HydrophobicContact CB-CD1 3.86Å; F236-L293 HydrophobicContact CB-CG 4.37Å; F236-L293 HydrophobicContact CD2-CB 3.82Å; F236-L293 HydrophobicContact CD2-CD1 4.13Å; F236-L293 HydrophobicContact CD2-CG 4.11Å; F236-L293 HydrophobicContact CE2-CB 4.33Å; F236-L293 HydrophobicContact CG-CD1 4.28Å; Y238-L293 HydrophobicContact CD2-CD1 3.67Å; Y238-L293 HydrophobicContact CD2-CD2 4Å; Y238-L293 HydrophobicContact CD2-CG 4.48Å; Y238-L293 HydrophobicContact CE2-CD1 4.45Å; Y238-L293 HydrophobicContact CE2-CD2 4.3Å; Y238-L293 HydrophobicContact CG-CD1 4.17Å; Y238-L293 HydrophobicContact CG-CD2 4.21Å; N291-L293 HydrophobicContact CB-CD2 4.35Å; L293-I371 CarbonylContact C-O 3.54Å; L293-I371 VanDerWaalsContact CA-O 3.29Å; L293-I371 WeakPolarHBondContact CA-O 3.41Å; L293-I371 HydrophobicContact CD2-CB 3.84Å; L293-I371 HydrophobicContact CD2-CD1 4.43Å; L293-I371 HydrophobicContact CD2-CG2 4.4Å; L293-V373 HydrophobicContact CD1-CG2 4.12Å; L293-V373 HydrophobicContact CD2-CG2 4.33Å
294	N	95.3	Very high	93.2	Very high	17 Å²	17	38.6 Å²	38.6	9%	0.091	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	101.4	154.2	-64.3	-35.6	0	0	0	107.9	M233 Y296 P370 I371 D372 V373	M233-N294 WeakPolarHBondContact CE-OD1 3.48Å; M233-N294 WeakPolarHBondContact CG-OD1 3.35Å; N294-Y296 HydrophobicContact CB-CE2 3.77Å; N294-Y296 WeakPolarHBondContact O-CD2 3.28Å; N294-P370 WeakPolarHBondContact ND2-CG 3.28Å; N294-I371 PolarHBondContact N-O 2.79Å; N294-D372 VanDerWaalsContact CB-OD1 3.29Å; N294-D372 WeakPolarHBondContact CB-OD1 3.25Å; N294-D372 PolarHBondContact ND2-OD1 3.14Å; N294-V373 PolarHBondContact O-N 2.78Å
295	L	97.2	Very high	92	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	129.1	178.6	179.9	60.7	0	0	0	110.5	F207 K231 K232 F236 I249 L251 V373 L375	F207-L295 HydrophobicContact CE1-CD2 4.25Å; F207-L295 HydrophobicContact CE1-CG 4.48Å; F207-L295 HydrophobicContact CZ-CD2 3.97Å; K231-L295 WeakPolarHBondContact CA-O 3.27Å; K232-L295 PolarHBondContact N-O 2.8Å; K232-L295 PolarHBondContact O-N 3Å; F236-L295 HydrophobicContact CD1-CD2 4.24Å; F236-L295 HydrophobicContact CE1-CB 4.43Å; F236-L295 HydrophobicContact CE1-CD2 3.79Å; F236-L295 HydrophobicContact CE2-CB 4.01Å; F236-L295 HydrophobicContact CZ-CB 3.89Å; F236-L295 HydrophobicContact CZ-CD2 4.07Å; I249-L295 HydrophobicContact CD1-CD1 3.59Å; L251-L295 HydrophobicContact CD1-CD2 4.09Å; L251-L295 HydrophobicContact CD2-CD2 3.72Å; L251-L295 HydrophobicContact CG-CD2 4.48Å; L295-V373 HydrophobicContact CD1-CB 4.46Å; L295-L375 HydrophobicContact CD1-CD1 4.43Å
296	Y	98.1	Very high	90.9	Very high	30 Å²	30	40.3 Å²	40.3	12%	0.118	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	117.9	170.9	-57.2	-102.8	0	0	0	108.7	M229 M230 K231 N294 V373 R374 L375	M229-Y296 HydrophobicContact CG-CD1 4.33Å; M229-Y296 VanDerWaalsContact SD-C 3.51Å; M230-Y296 CarbonylContact O-C 3.57Å; M230-Y296 VanDerWaalsContact O-CA 3.32Å; M230-Y296 WeakPolarHBondContact O-CA 3.35Å; K231-Y296 HydrophobicContact CB-CD1 4.32Å; K231-Y296 HydrophobicContact CB-CE1 4.42Å; K231-Y296 HydrophobicContact CD-CD1 4.4Å; K231-Y296 HydrophobicContact CD-CE1 3.7Å; K231-Y296 WeakPolarHBondContact CE-OH 3.23Å; K231-Y296 HydrophobicContact CG-CD1 4.09Å; K231-Y296 HydrophobicContact CG-CE1 3.8Å; N294-Y296 HydrophobicContact CB-CE2 3.77Å; N294-Y296 WeakPolarHBondContact O-CD2 3.28Å; Y296-V373 PolarHBondContact N-O 2.76Å; Y296-R374 HydrophobicContact CD2-CG 3.58Å; Y296-R374 HydrophobicContact CE2-CG 4.27Å; Y296-R374 HydrophobicContact CG-CG 3.92Å; Y296-R374 PolarHBondContact OH-NH2 3.34Å; Y296-L375 WeakPolarHBondContact O-CB 3.36Å; Y296-L375 PolarHBondContact O-N 3.41Å
297	M	97.5	Very high	90	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	126.8	-174.3	179.6	172	-174.9	0	0	110.9	F207 M229 M230 L251 M259 I261 F300 V349 L375	F207-M297 HydrophobicContact CE1-CB 4.43Å; F207-M297 HydrophobicContact CZ-CB 4.33Å; F207-M297 HydrophobicContact CZ-SD 4.26Å; M229-M297 PolarHBondContact SD-N 3.21Å; M229-M297 VanDerWaalsContact SD-N 3.36Å; M230-M297 WeakPolarHBondContact CA-O 3.41Å; M230-M297 WeakPolarHBondContact CB-O 3.4Å; M230-M297 HydrophobicContact CE-CB 4.07Å; M230-M297 HydrophobicContact CE-CG 3.83Å; M230-M297 HydrophobicContact CE-SD 4.11Å; M230-M297 PolarHBondContact N-O 3.09Å; M230-M297 PolarHBondContact O-N 2.99Å; L251-M297 HydrophobicContact CD1-SD 3.66Å; M259-M297 HydrophobicContact CE-CE 4.33Å; M259-M297 HydrophobicContact SD-CE 3.5Å; M259-M297 WeakPolarHBondContact SD-CE 3.46Å; I261-M297 HydrophobicContact CD1-CE 3.89Å; I261-M297 HydrophobicContact CD1-SD 3.97Å; M297-F300 HydrophobicContact CE-CE1 3.71Å; M297-F300 HydrophobicContact CE-CZ 4.23Å; M297-V349 HydrophobicContact CE-CG1 3.7Å; M297-L375 HydrophobicContact CB-CD1 3.89Å; M297-L375 HydrophobicContact CG-CD1 3.71Å; M297-L375 HydrophobicContact SD-CD1 4.23Å
298	P	97.1	Very high	89.6	Confident	0 Å²	0	36.2 Å²	36.2	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.5	145.2	177.9	28.5	-33.9	0	0	0	109.9	F217 V227 D228 F300 L375 F379 P400	F217-P298 HydrophobicContact CD2-CG 4.28Å; F217-P298 HydrophobicContact CE2-CG 4.23Å; V227-P298 HydrophobicContact CB-CB 4.25Å; V227-P298 HydrophobicContact CG2-CB 4.01Å; D228-P298 CarbonylContact O-C 3.59Å; D228-P298 WeakPolarHBondContact O-CA 3.46Å; P298-F300 HydrophobicContact CG-CD1 4.41Å; P298-F300 VanDerWaalsContact O-CD1 3.3Å; P298-F300 WeakPolarHBondContact O-CD1 3.5Å; P298-L375 VanDerWaalsContact CD-O 3.24Å; P298-L375 WeakPolarHBondContact CD-O 3.28Å; P298-F379 HydrophobicContact CG-CE1 4.03Å; P298-F379 HydrophobicContact CG-CZ 4.35Å; P298-P400 HydrophobicContact CB-CB 4.05Å; P298-P400 HydrophobicContact CB-CG 3.96Å; P298-P400 HydrophobicContact CG-CB 4.38Å; P298-P400 HydrophobicContact CG-CG 3.9Å
299	K	94.6	Very high	89.3	Confident	66 Å²	66	35.7 Å²	35.7	29%	0.287	19%	0.187	S	C	.	.			trans	-68.5	138.3	158.6	-61.5	178.7	71.8	158.5	0	108	T212 D228 M230 E351	T212-K299 HydrophobicContact CG2-CD 4.19Å; D228-K299 HydrophobicContact CB-CB 4.24Å; D228-K299 HydrophobicContact CB-CD 3.72Å; D228-K299 HydrophobicContact CB-CG 4.12Å; D228-K299 PolarHBondContact O-N 2.73Å; M230-K299 HydrophobicContact CE-CG 4.49Å; M230-K299 HydrophobicContact CG-CD 4.2Å; M230-K299 HydrophobicContact CG-CG 3.51Å; M230-K299 HydrophobicContact SD-CG 3.72Å; K299-E351 WeakPolarHBondContact CD-OE1 3.49Å; K299-E351 VanDerWaalsContact CE-OE2 3.28Å; K299-E351 WeakPolarHBondContact CE-OE2 3.39Å; K299-E351 VanDerWaalsContact NZ-CD 3.27Å; K299-E351 IonicContact NZ-OE1 3Å; K299-E351 PolarHBondContact NZ-OE1 3.5Å; K299-E351 IonicContact NZ-OE2 2.75Å; K299-E351 PolarHBondContact NZ-OE2 3.41Å
300	F	91.4	Very high	89.1	Confident	10 Å²	10	34.8 Å²	34.8	4%	0.044	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.2	151.5	173.1	59.1	-89.5	0	0	0	110.4	M259 M297 P298 I302 L347 V349 F379 I397 P400	M259-F300 HydrophobicContact CE-CZ 4.48Å; M297-F300 HydrophobicContact CE-CE1 3.71Å; M297-F300 HydrophobicContact CE-CZ 4.23Å; P298-F300 HydrophobicContact CG-CD1 4.41Å; P298-F300 VanDerWaalsContact O-CD1 3.3Å; P298-F300 WeakPolarHBondContact O-CD1 3.5Å; F300-I302 HydrophobicContact CD2-CG2 4.35Å; F300-I302 HydrophobicContact CE2-CG2 4.48Å; F300-L347 HydrophobicContact CE2-CD2 4.01Å; F300-V349 HydrophobicContact CD1-CB 4.17Å; F300-V349 HydrophobicContact CD2-CB 4.43Å; F300-V349 HydrophobicContact CD2-CG2 4.26Å; F300-V349 HydrophobicContact CE1-CB 3.98Å; F300-V349 HydrophobicContact CE1-CG1 4.15Å; F300-V349 HydrophobicContact CE1-CG2 3.98Å; F300-V349 HydrophobicContact CE2-CB 4.25Å; F300-V349 HydrophobicContact CE2-CG2 3.67Å; F300-V349 HydrophobicContact CG-CB 4.39Å; F300-V349 HydrophobicContact CZ-CB 4.03Å; F300-V349 HydrophobicContact CZ-CG2 3.52Å; F300-V349 PolarHBondContact N-O 3.37Å; F300-V349 PolarHBondContact O-N 3.48Å; F300-F379 HydrophobicContact CD1-CZ 4.32Å; F300-F379 HydrophobicContact CE1-CE2 4.24Å; F300-F379 AromaticContact CE1-CZ 3.77Å; F300-F379 HydrophobicContact CE1-CZ 3.77Å; F300-F379 HydrophobicContact CZ-CE2 4.33Å; F300-F379 HydrophobicContact CZ-CZ 4.25Å; F300-I397 HydrophobicContact CD2-CD1 4.16Å; F300-I397 HydrophobicContact CE2-CD1 3.95Å; F300-I397 HydrophobicContact CE2-CG1 4.15Å; F300-I397 HydrophobicContact CZ-CG1 4.27Å; F300-P400 HydrophobicContact CB-CB 4.06Å
301	S	88.3	Confident	89	Confident	64 Å²	64	31 Å²	31	45%	0.448	17%	0.171	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	131.1	164.9	-177.7	0	0	0	0	106.4	L347	S301-L347 WeakPolarHBondContact CA-O 3.22Å
302	I	85.9	Confident	89.1	Confident	1 Å²	1	29 Å²	29	1%	0.005	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	129.2	-177.3	-175.1	159.7	0	0	0	109.5	N60 F62 F300 V304 V346 L347 I397	N60-I302 HydrophobicContact CB-CD1 3.44Å; N60-I302 VanDerWaalsContact CB-CD1 3.44Å; N60-I302 HydrophobicContact CB-CG1 4.48Å; F62-I302 HydrophobicContact CB-CD1 3.52Å; F62-I302 HydrophobicContact CB-CG1 3.73Å; F62-I302 HydrophobicContact CB-CG2 4.3Å; F62-I302 HydrophobicContact CD1-CG2 3.85Å; F62-I302 HydrophobicContact CD2-CD1 4.46Å; F62-I302 HydrophobicContact CD2-CG2 3.9Å; F62-I302 HydrophobicContact CE1-CG2 4.14Å; F62-I302 HydrophobicContact CE2-CG2 4.21Å; F62-I302 HydrophobicContact CG-CD1 4.11Å; F62-I302 HydrophobicContact CG-CG1 4.11Å; F62-I302 HydrophobicContact CG-CG2 3.74Å; F62-I302 HydrophobicContact CZ-CG2 4.34Å; F300-I302 HydrophobicContact CD2-CG2 4.35Å; F300-I302 HydrophobicContact CE2-CG2 4.48Å; I302-V304 HydrophobicContact CD1-CG2 4.2Å; I302-V304 HydrophobicContact CG1-CG2 3.95Å; I302-V346 WeakPolarHBondContact O-CA 3.19Å; I302-L347 HydrophobicContact CG2-CB 3.92Å; I302-L347 PolarHBondContact N-O 3.13Å; I302-L347 PolarHBondContact O-N 2.82Å; I302-I397 HydrophobicContact CD1-CD1 3.62Å; I302-I397 HydrophobicContact CG2-CD1 4.44Å
303	S	83.4	Confident	89.3	Confident	44 Å²	44	29.8 Å²	29.8	31%	0.308	16%	0.161	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	97	175.5	169.9	0	0	0	0	108.9	Q344 A403	S303-Q344 PolarHBondContact OG-NE2 2.94Å; S303-A403 PolarHBondContact N-OXT 3.46Å
304	V	77.6	Confident	89.4	Confident	28 Å²	28	35.5 Å²	35.5	17%	0.17	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100	117.9	176.5	176.7	0	0	0	0	109.1	F62 I302 T306 A345	F62-V304 HydrophobicContact CB-CB 4.14Å; F62-V304 HydrophobicContact CB-CG2 3.8Å; F62-V304 WeakPolarHBondContact O-CB 3.48Å; I302-V304 HydrophobicContact CD1-CG2 4.2Å; I302-V304 HydrophobicContact CG1-CG2 3.95Å; V304-T306 VanDerWaalsContact CG1-OG1 3.23Å; V304-T306 WeakPolarHBondContact CG1-OG1 3.24Å; V304-A345 PolarHBondContact N-O 2.98Å
305	E	72.9	Confident	89.3	Confident	68 Å²	68	36.3 Å²	36.3	32%	0.318	19%	0.192	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	128.6	166.7	-177	-165.9	150.9	0	0	107.6	K183	K183-E305 WeakPolarHBondContact CE-OE1 3.18Å; K183-E305 WeakPolarHBondContact CE-OE2 3.43Å; K183-E305 VanDerWaalsContact NZ-CD 3.29Å; K183-E305 IonicContact NZ-OE1 2.64Å; K183-E305 PolarHBondContact NZ-OE1 2.6Å; K183-E305 IonicContact NZ-OE2 3.42Å; K183-E305 PolarHBondContact NZ-OE2 2.6Å
306	T	69.7	Low	89.3	Confident	42 Å²	42	37.8 Å²	37.8	26%	0.258	21%	0.206	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.8	125.5	179.7	-58.6	0	0	0	0	108.9	V304 M308 H343	V304-T306 VanDerWaalsContact CG1-OG1 3.23Å; V304-T306 WeakPolarHBondContact CG1-OG1 3.24Å; T306-M308 HydrophobicContact CG2-CE 3.36Å; T306-M308 WeakPolarHBondContact O-CE 3.3Å; T306-M308 PolarHBondContact O-N 2.94Å; T306-H343 PolarHBondContact N-O 3.4Å
307	S	78.6	Confident	89.2	Confident	62 Å²	62	36.4 Å²	36.4	43%	0.434	20%	0.201	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.6	123.8	164.1	160.5	0	0	0	0	107.4	D309	S307-D309 VanDerWaalsContact C-N 3.27Å; S307-D309 PolarHBondContact OG-N 3.22Å; S307-D309 PolarHBondContact OG-OD2 3.48Å
308	M	89.2	Confident	89.2	Confident	1 Å²	1	39.6 Å²	39.6	1%	0.005	22%	0.221	C	C	.	.			trans	-86.5	-1.9	-179.7	-68.6	-68.5	125.6	0	0	112	L47 I51 L68 T306 E310 T311 L312 V341 H343	L47-M308 HydrophobicContact CD1-SD 4.32Å; I51-M308 HydrophobicContact CD1-CE 4.18Å; I51-M308 HydrophobicContact CD1-SD 4.48Å; L68-M308 HydrophobicContact CD1-CG 4.41Å; L68-M308 HydrophobicContact CD1-SD 3.88Å; L68-M308 HydrophobicContact CD2-CG 3.96Å; L68-M308 HydrophobicContact CD2-SD 4.48Å; T306-M308 HydrophobicContact CG2-CE 3.36Å; T306-M308 WeakPolarHBondContact O-CE 3.3Å; T306-M308 PolarHBondContact O-N 2.94Å; M308-E310 PolarHBondContact O-N 3.42Å; M308-T311 PolarHBondContact O-N 3.44Å; M308-L312 HydrophobicContact CB-CD1 3.66Å; M308-L312 HydrophobicContact CB-CG 3.93Å; M308-L312 VanDerWaalsContact O-CB 3.31Å; M308-L312 WeakPolarHBondContact O-CB 3.48Å; M308-L312 WeakPolarHBondContact O-CG 3.43Å; M308-L312 PolarHBondContact O-N 2.77Å; M308-V341 HydrophobicContact CB-CB 4.07Å; M308-V341 HydrophobicContact CB-CG1 3.89Å; M308-V341 HydrophobicContact CG-CG1 4.37Å; M308-V341 PolarHBondContact N-O 3.47Å; M308-H343 HydrophobicContact CE-CB 4.19Å; M308-H343 HydrophobicContact CG-CB 3.81Å
309	D	90.4	Very high	89.3	Confident	22 Å²	22	40.8 Å²	40.8	12%	0.118	23%	0.226	C	C	.	.	H	α-helix	trans	-62.4	-50.8	-164.1	-57.1	-42.3	0	0	0	112.7	S307 K313 Y321 V341	S307-D309 VanDerWaalsContact C-N 3.27Å; S307-D309 PolarHBondContact OG-N 3.22Å; S307-D309 PolarHBondContact OG-OD2 3.48Å; D309-K313 VanDerWaalsContact O-CG 3.25Å; D309-K313 WeakPolarHBondContact O-CG 3.39Å; D309-K313 PolarHBondContact O-N 2.92Å; D309-K313 VanDerWaalsContact O-N 3.14Å; D309-Y321 HydrophobicContact CB-CE1 4.03Å; D309-Y321 WeakPolarHBondContact OD1-CE1 3.47Å; D309-Y321 PolarHBondContact OD1-OH 3.07Å; D309-V341 PolarHBondContact OD1-N 3.06Å
310	E	92.2	Very high	89.4	Confident	96 Å²	96	37.7 Å²	37.7	45%	0.449	21%	0.213	S	C	.	.	H	α-helix	trans	-70.4	-38.5	178.9	-63.7	-52	133.7	0	0	112.1	R54 M308 L312 K313 E314	R54-E310 PolarHBondContact NH2-O 3.18Å; M308-E310 PolarHBondContact O-N 3.42Å; E310-L312 PolarHBondContact O-N 2.84Å; E310-K313 PolarHBondContact O-N 2.84Å; E310-K313 IonicContact OE1-NZ 3.8Å; E310-K313 PolarHBondContact OE1-NZ 3.17Å; E310-K313 IonicContact OE2-NZ 3.19Å; E310-E314 PolarHBondContact O-N 3.13Å
311	T	92.8	Very high	89.6	Confident	6 Å²	6	38.8 Å²	38.8	4%	0.037	22%	0.217	C	C	.	.	H	α-helix	trans	-59.6	-47.1	176.8	-54.3	0	0	0	0	111	L47 N50 I51 M308 E314 M315	L47-T311 HydrophobicContact CD1-CG2 3.56Å; N50-T311 HydrophobicContact CB-CG2 4.05Å; I51-T311 HydrophobicContact CG1-CG2 4.12Å; M308-T311 PolarHBondContact O-N 3.44Å; T311-E314 PolarHBondContact O-N 2.85Å; T311-M315 HydrophobicContact CG2-SD 4.19Å; T311-M315 VanDerWaalsContact O-CG 3.27Å; T311-M315 WeakPolarHBondContact O-CG 3.42Å; T311-M315 PolarHBondContact O-N 2.89Å
312	L	94.5	Very high	89.9	Confident	0 Å²	0	37.5 Å²	37.5	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-69.5	-36.5	-178.6	-68.1	174.8	0	0	0	112.4	L72 M308 E310 M315 G316 I317 Y321 V341	L72-L312 HydrophobicContact CD1-CD2 3.73Å; L72-L312 HydrophobicContact CD2-CD1 3.98Å; L72-L312 HydrophobicContact CD2-CD2 4.49Å; M308-L312 HydrophobicContact CB-CD1 3.66Å; M308-L312 HydrophobicContact CB-CG 3.93Å; M308-L312 VanDerWaalsContact O-CB 3.31Å; M308-L312 WeakPolarHBondContact O-CB 3.48Å; M308-L312 WeakPolarHBondContact O-CG 3.43Å; M308-L312 PolarHBondContact O-N 2.77Å; E310-L312 PolarHBondContact O-N 2.84Å; L312-M315 CarbonylContact O-C 3.57Å; L312-M315 PolarHBondContact O-N 2.82Å; L312-G316 PolarHBondContact O-N 2.88Å; L312-I317 HydrophobicContact CB-CB 4.42Å; L312-I317 HydrophobicContact CB-CD1 4.21Å; L312-I317 HydrophobicContact CD2-CD1 3.96Å; L312-I317 WeakPolarHBondContact O-CB 3.29Å; L312-I317 PolarHBondContact O-N 3Å; L312-Y321 HydrophobicContact CB-CE2 4.4Å; L312-V341 HydrophobicContact CD1-CB 4.06Å; L312-V341 HydrophobicContact CD1-CG1 3.95Å; L312-V341 HydrophobicContact CD1-CG2 3.95Å
313	K	95.4	Very high	90.3	Very high	68 Å²	68	43.5 Å²	43.5	30%	0.296	24%	0.24	S	C	.	.	H	α-helix	trans	-60.9	-45.4	172.2	-72.1	169.8	-165.2	168.2	0	111.6	D309 E310 M315 G316 T318 Y321	D309-K313 VanDerWaalsContact O-CG 3.25Å; D309-K313 WeakPolarHBondContact O-CG 3.39Å; D309-K313 PolarHBondContact O-N 2.92Å; D309-K313 VanDerWaalsContact O-N 3.14Å; E310-K313 PolarHBondContact O-N 2.84Å; E310-K313 IonicContact OE1-NZ 3.8Å; E310-K313 PolarHBondContact OE1-NZ 3.17Å; E310-K313 IonicContact OE2-NZ 3.19Å; K313-M315 VanDerWaalsContact C-N 3.26Å; K313-M315 PolarHBondContact O-N 2.73Å; K313-G316 PolarHBondContact O-N 2.81Å; K313-T318 HydrophobicContact CB-CG2 4.49Å; K313-Y321 HydrophobicContact CG-CD2 3.91Å; K313-Y321 HydrophobicContact CG-CE2 4.17Å; K313-Y321 HydrophobicContact CG-CG 4.34Å
314	E	94.3	Very high	91	Very high	121 Å²	121	48.1 Å²	48.1	57%	0.565	26%	0.258	S	S	*	.	H	α-helix	trans	-65.7	-29.6	176	-84.7	-178.6	-165.3	0	0	113.1	N50 R54 E310 T311 G316	N50-E314 PolarHBondContact OD1-OE2 3.14Å; N50-E314 VanDerWaalsContact OD1-OE2 3.05Å; R54-E314 IonicContact CZ-OE1 2.71Å; R54-E314 IonicContact CZ-OE2 3.49Å; R54-E314 VanDerWaalsContact CZ-OE2 3.26Å; R54-E314 IonicContact NE-OE1 2.92Å; R54-E314 IonicContact NE-OE2 2.85Å; R54-E314 PolarHBondContact NE-OE2 3.45Å; R54-E314 IonicContact NH1-OE1 2.69Å; R54-E314 IonicContact NH2-OE1 2.62Å; R54-E314 PolarHBondContact NH2-OE1 3.46Å; R54-E314 IonicContact NH2-OE2 3.01Å; R54-E314 PolarHBondContact NH2-OE2 2.66Å; E310-E314 PolarHBondContact O-N 3.13Å; T311-E314 PolarHBondContact O-N 2.85Å; E314-G316 PolarHBondContact O-N 3.36Å
315	M	94.8	Very high	91.9	Very high	34 Å²	34	47.3 Å²	47.3	17%	0.167	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.3	-0.3	172	-68	179.8	72.9	0	0	113.5	F43 A46 L47 S90 T311 L312 K313	F43-M315 HydrophobicContact CD2-CE 3.57Å; F43-M315 HydrophobicContact CE2-CE 3.38Å; F43-M315 HydrophobicContact CE2-SD 4.29Å; F43-M315 HydrophobicContact CZ-CE 4.31Å; A46-M315 HydrophobicContact CB-CE 3.98Å; L47-M315 HydrophobicContact CB-CE 4.1Å; L47-M315 HydrophobicContact CB-SD 4.16Å; L47-M315 HydrophobicContact CD1-SD 3.75Å; S90-M315 PolarHBondContact OG-O 3.14Å; T311-M315 HydrophobicContact CG2-SD 4.19Å; T311-M315 VanDerWaalsContact O-CG 3.27Å; T311-M315 WeakPolarHBondContact O-CG 3.42Å; T311-M315 PolarHBondContact O-N 2.89Å; L312-M315 CarbonylContact O-C 3.57Å; L312-M315 PolarHBondContact O-N 2.82Å; K313-M315 VanDerWaalsContact C-N 3.26Å; K313-M315 PolarHBondContact O-N 2.73Å
316	G	95.8	Very high	93.1	Very high	30 Å²	30	46.9 Å²	46.9	31%	0.309	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	105.4	1.6	172.4	0	0	0	0	0	115.1	Q86 L312 K313 E314 T318	Q86-G316 WeakPolarHBondContact CG-O 3.38Å; Q86-G316 PolarHBondContact NE2-O 2.83Å; Q86-G316 PolarHBondContact OE1-O 3.35Å; L312-G316 PolarHBondContact O-N 2.88Å; K313-G316 PolarHBondContact O-N 2.81Å; E314-G316 PolarHBondContact O-N 3.36Å; G316-T318 PolarHBondContact O-N 2.82Å; G316-T318 VanDerWaalsContact O-N 3.15Å
317	I	97.3	Very high	94.4	Very high	2 Å²	2	45.1 Å²	45.1	1%	0.01	24%	0.244	C	C	.	.			trans	-89.1	74.8	179.2	-49.2	175.1	0	0	0	108.6	L72 L87 S90 L312 A320 Y321	L72-I317 HydrophobicContact CD1-CD1 4.04Å; L72-I317 HydrophobicContact CD2-CD1 4.24Å; L87-I317 HydrophobicContact CD2-CD1 4.14Å; L87-I317 HydrophobicContact CD2-CG1 4.5Å; L87-I317 HydrophobicContact CD2-CG2 3.6Å; L87-I317 HydrophobicContact CG-CG2 4.31Å; S90-I317 VanDerWaalsContact OG-CG1 3.24Å; S90-I317 WeakPolarHBondContact OG-CG1 3.23Å; L312-I317 HydrophobicContact CB-CB 4.42Å; L312-I317 HydrophobicContact CB-CD1 4.21Å; L312-I317 HydrophobicContact CD2-CD1 3.96Å; L312-I317 WeakPolarHBondContact O-CB 3.29Å; L312-I317 PolarHBondContact O-N 3Å; I317-A320 HydrophobicContact CG2-CB 3.84Å; I317-Y321 HydrophobicContact CG2-CE2 4.32Å; I317-Y321 WeakPolarHBondContact O-CD2 3.34Å; I317-Y321 WeakPolarHBondContact O-CE2 3.26Å
318	T	97.7	Very high	95.2	Very high	66 Å²	66	44.5 Å²	44.5	41%	0.405	24%	0.239	S	C	.	.			trans	-101.7	-40.6	-175	61.2	0	0	0	0	112.8	Q86 K313 G316 A320 Y321	Q86-T318 PolarHBondContact NE2-OG1 3.27Å; Q86-T318 VanDerWaalsContact NE2-OG1 3.08Å; Q86-T318 PolarHBondContact OE1-OG1 2.91Å; K313-T318 HydrophobicContact CB-CG2 4.49Å; G316-T318 PolarHBondContact O-N 2.82Å; G316-T318 VanDerWaalsContact O-N 3.15Å; T318-A320 VanDerWaalsContact C-N 3.27Å; T318-A320 PolarHBondContact O-N 2.77Å; T318-Y321 PolarHBondContact O-N 3.09Å; T318-Y321 VanDerWaalsContact O-N 3.16Å
319	E	97.9	Very high	95.5	Very high	25 Å²	25	45.1 Å²	45.1	12%	0.117	25%	0.245	C	C	.	.	G	3₁₀ helix	trans	-62.9	-37.8	-174.9	-159.9	81.8	179.6	0	0	110.7	K82 T83 Y321 S322 M324 A325	K82-E319 HydrophobicContact CB-CG 4.39Å; K82-E319 HydrophobicContact CD-CG 4.41Å; K82-E319 WeakPolarHBondContact CD-OE2 3.44Å; K82-E319 VanDerWaalsContact CE-OE2 3.32Å; K82-E319 WeakPolarHBondContact CE-OE2 3.46Å; K82-E319 HydrophobicContact CG-CG 4.36Å; K82-E319 IonicContact NZ-OE2 3.83Å; K82-E319 PolarHBondContact NZ-OE2 2.7Å; T83-E319 WeakPolarHBondContact OG1-CG 3.31Å; E319-Y321 PolarHBondContact O-N 3.47Å; E319-Y321 VanDerWaalsContact O-N 3.17Å; E319-S322 WeakPolarHBondContact O-CB 3.47Å; E319-S322 PolarHBondContact O-N 3.45Å; E319-S322 PolarHBondContact O-OG 2.81Å; E319-M324 HydrophobicContact CG-CB 4.48Å; E319-M324 WeakPolarHBondContact OE1-CB 3.4Å; E319-A325 WeakPolarHBondContact O-CA 3.44Å; E319-A325 VanDerWaalsContact O-CB 3.32Å; E319-A325 WeakPolarHBondContact O-CB 3.39Å; E319-A325 PolarHBondContact O-N 3.42Å
320	A	96.8	Very high	95.7	Very high	1 Å²	1	44.1 Å²	44.1	1%	0.008	24%	0.239	C	C	.	.	G	3₁₀ helix	trans	-58.6	-26.2	178.5	0	0	0	0	0	113.8	T83 I317 T318 F327 V338	T83-A320 HydrophobicContact CG2-CB 3.92Å; I317-A320 HydrophobicContact CG2-CB 3.84Å; T318-A320 VanDerWaalsContact C-N 3.27Å; T318-A320 PolarHBondContact O-N 2.77Å; A320-F327 HydrophobicContact CB-CE2 4.31Å; A320-F327 HydrophobicContact CB-CZ 3.93Å; A320-V338 HydrophobicContact CB-CG2 3.97Å; A320-V338 PolarHBondContact O-N 3.37Å
321	Y	95.5	Very high	95.8	Very high	34 Å²	34	39.9 Å²	39.9	13%	0.133	22%	0.22	C	C	.	.	G	3₁₀ helix	trans	-95.4	-5.3	178	-68.3	-89.9	0	0	0	113.1	D309 L312 K313 I317 T318 E319 V338 V341	D309-Y321 HydrophobicContact CB-CE1 4.03Å; D309-Y321 WeakPolarHBondContact OD1-CE1 3.47Å; D309-Y321 PolarHBondContact OD1-OH 3.07Å; L312-Y321 HydrophobicContact CB-CE2 4.4Å; K313-Y321 HydrophobicContact CG-CD2 3.91Å; K313-Y321 HydrophobicContact CG-CE2 4.17Å; K313-Y321 HydrophobicContact CG-CG 4.34Å; I317-Y321 HydrophobicContact CG2-CE2 4.32Å; I317-Y321 WeakPolarHBondContact O-CD2 3.34Å; I317-Y321 WeakPolarHBondContact O-CE2 3.26Å; T318-Y321 PolarHBondContact O-N 3.09Å; T318-Y321 VanDerWaalsContact O-N 3.16Å; E319-Y321 PolarHBondContact O-N 3.47Å; E319-Y321 VanDerWaalsContact O-N 3.17Å; Y321-V338 HydrophobicContact CD1-CB 4.04Å; Y321-V338 HydrophobicContact CD1-CG1 4.02Å; Y321-V338 WeakPolarHBondContact CD1-O 3.42Å; Y321-V338 HydrophobicContact CE1-CB 4.02Å; Y321-V338 HydrophobicContact CE1-CG1 3.5Å; Y321-V338 VanDerWaalsContact CE1-CG1 3.5Å; Y321-V338 HydrophobicContact CG-CB 4.42Å; Y321-V341 WeakPolarHBondContact OH-CG2 3.41Å
322	S	95.8	Very high	95.7	Very high	37 Å²	37	47.1 Å²	47.1	26%	0.259	25%	0.254	S	S	.	.	S	Bend	trans	-96.1	167.6	-175.1	78.6	0	0	0	0	112	E319 M324 A325 K337	E319-S322 WeakPolarHBondContact O-CB 3.47Å; E319-S322 PolarHBondContact O-N 3.45Å; E319-S322 PolarHBondContact O-OG 2.81Å; S322-M324 PolarHBondContact O-N 3.33Å; S322-M324 PolarHBondContact OG-N 3.32Å; S322-A325 VanDerWaalsContact O-CB 3.23Å; S322-A325 WeakPolarHBondContact O-CB 3.1Å; S322-A325 PolarHBondContact O-N 3.3Å; S322-A325 VanDerWaalsContact O-N 3.12Å; S322-K337 WeakPolarHBondContact O-CB 3.24Å
323	D	94.8	Very high	95.4	Very high	127 Å²	127	55.4 Å²	55.4	68%	0.679	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.2	-6.9	172.9	-59.3	-39	0	0	0	113.2	A325 K337	D323-A325 VanDerWaalsContact C-N 3.34Å; D323-K337 IonicContact OD1-NZ 2.73Å; D323-K337 PolarHBondContact OD1-NZ 2.93Å
324	M	96.3	Very high	95.1	Very high	140 Å²	140	54.2 Å²	54.2	69%	0.69	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91	1.4	172.6	-62	-63.9	-63.6	0	0	112.7	E319 S322 D326	E319-M324 HydrophobicContact CG-CB 4.48Å; E319-M324 WeakPolarHBondContact OE1-CB 3.4Å; S322-M324 PolarHBondContact O-N 3.33Å; S322-M324 PolarHBondContact OG-N 3.32Å; M324-D326 PolarHBondContact O-N 3.46Å
325	A	97.3	Very high	94.9	Very high	12 Å²	12	57.5 Å²	57.5	10%	0.099	30%	0.301	C	S	.	.			trans	-54.9	125.2	177	0	0	0	0	0	111	E319 S322 D323 F327 L336 K337	E319-A325 WeakPolarHBondContact O-CA 3.44Å; E319-A325 VanDerWaalsContact O-CB 3.32Å; E319-A325 WeakPolarHBondContact O-CB 3.39Å; E319-A325 PolarHBondContact O-N 3.42Å; S322-A325 VanDerWaalsContact O-CB 3.23Å; S322-A325 WeakPolarHBondContact O-CB 3.1Å; S322-A325 PolarHBondContact O-N 3.3Å; S322-A325 VanDerWaalsContact O-N 3.12Å; D323-A325 VanDerWaalsContact C-N 3.34Å; A325-F327 HydrophobicContact CB-CD2 3.87Å; A325-F327 HydrophobicContact CB-CE2 3.8Å; A325-L336 WeakPolarHBondContact CB-O 3.46Å; A325-K337 HydrophobicContact CB-CB 3.88Å
326	D	97.6	Very high	94.9	Very high	59 Å²	59	56.3 Å²	56.3	32%	0.316	30%	0.296	S	S	.	.			trans	-103.3	91.1	176.4	-171.6	-9.7	0	0	0	109.6	A79 R80 T83 M324 S328	A79-D326 CarbonylContact C-O 3.58Å; A79-D326 WeakPolarHBondContact CA-O 3.45Å; R80-D326 HydrophobicContact CB-CB 4.46Å; R80-D326 WeakPolarHBondContact CB-OD2 3.36Å; R80-D326 PolarHBondContact N-O 2.91Å; T83-D326 PolarHBondContact OG1-N 3.43Å; M324-D326 PolarHBondContact O-N 3.46Å; D326-S328 WeakPolarHBondContact OD1-CB 3.46Å; D326-S328 PolarHBondContact OD1-N 2.96Å; D326-S328 VanDerWaalsContact OD1-N 3.12Å; D326-S328 PolarHBondContact OD1-OG 3.48Å
327	F	96.9	Very high	94.8	Very high	5 Å²	5	58.7 Å²	58.7	2%	0.022	30%	0.297	C	S	.	.			trans	-108.3	34.4	170.5	-68.6	-66.1	0	0	0	111.7	L75 G78 A79 T83 A320 A325 A329 I330 S331 L336 V338	L75-F327 HydrophobicContact CD1-CD1 4.22Å; L75-F327 HydrophobicContact CD1-CE1 3.49Å; L75-F327 VanDerWaalsContact CD1-CE1 3.49Å; L75-F327 HydrophobicContact CD1-CZ 3.83Å; L75-F327 HydrophobicContact CD2-CE1 4.36Å; L75-F327 HydrophobicContact CD2-CZ 4.19Å; L75-F327 HydrophobicContact CG-CE1 3.75Å; L75-F327 HydrophobicContact CG-CZ 4.07Å; G78-F327 CarbonylContact O-C 3.48Å; G78-F327 VanDerWaalsContact O-CA 3.23Å; G78-F327 WeakPolarHBondContact O-CA 3.21Å; A79-F327 HydrophobicContact CB-CD1 3.96Å; A79-F327 HydrophobicContact CB-CE1 3.83Å; T83-F327 HydrophobicContact CG2-CE1 4.01Å; T83-F327 HydrophobicContact CG2-CE2 4.17Å; T83-F327 HydrophobicContact CG2-CZ 3.74Å; A320-F327 HydrophobicContact CB-CE2 4.31Å; A320-F327 HydrophobicContact CB-CZ 3.93Å; A325-F327 HydrophobicContact CB-CD2 3.87Å; A325-F327 HydrophobicContact CB-CE2 3.8Å; F327-A329 PolarHBondContact O-N 3.17Å; F327-A329 VanDerWaalsContact O-N 3.12Å; F327-I330 HydrophobicContact CB-CB 4.44Å; F327-I330 HydrophobicContact CB-CD1 4.06Å; F327-I330 HydrophobicContact CB-CG1 4.23Å; F327-I330 HydrophobicContact CD1-CD1 3.84Å; F327-I330 HydrophobicContact CG-CD1 4.17Å; F327-I330 WeakPolarHBondContact O-CA 3.37Å; F327-I330 WeakPolarHBondContact O-CB 3.29Å; F327-I330 PolarHBondContact O-N 2.99Å; F327-S331 PolarHBondContact O-N 2.66Å; F327-L336 HydrophobicContact CB-CB 4.03Å; F327-L336 HydrophobicContact CB-CD1 4.41Å; F327-L336 HydrophobicContact CD2-CB 4.28Å; F327-L336 WeakPolarHBondContact CD2-O 3.37Å; F327-V338 HydrophobicContact CE2-CG2 3.96Å; F327-V338 HydrophobicContact CZ-CG2 3.76Å
328	S	96.5	Very high	94.7	Very high	49 Å²	49	58.9 Å²	58.9	34%	0.343	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.6	-24.1	-179	51.5	0	0	0	0	113.7	D326 I330 S331	D326-S328 WeakPolarHBondContact OD1-CB 3.46Å; D326-S328 PolarHBondContact OD1-N 2.96Å; D326-S328 VanDerWaalsContact OD1-N 3.12Å; D326-S328 PolarHBondContact OD1-OG 3.48Å; S328-I330 VanDerWaalsContact C-N 3.28Å; S328-I330 PolarHBondContact O-N 3.45Å; S328-S331 WeakPolarHBondContact CA-O 3.5Å; S328-S331 CarbonylContact O-C 3.57Å
329	A	95.9	Very high	94.4	Very high	14 Å²	14	57.2 Å²	57.2	12%	0.116	29%	0.289	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.3	-5.7	174.5	0	0	0	0	0	113.9	G78 Y139 F327	G78-A329 WeakPolarHBondContact O-CB 3.39Å; G78-A329 PolarHBondContact O-N 3.22Å; Y139-A329 WeakPolarHBondContact CB-O 3.44Å; F327-A329 PolarHBondContact O-N 3.17Å; F327-A329 VanDerWaalsContact O-N 3.12Å
330	I	94.8	Very high	94.1	Very high	0 Å²	0	56.9 Å²	56.9	0%	0	29%	0.288	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.9	-47	165.2	-54.4	-176.1	0	0	0	109.5	L75 G78 L133 P135 L136 Y139 L191 F327 S328 L336	L75-I330 HydrophobicContact CD1-CD1 4.5Å; G78-I330 VanDerWaalsContact CA-CG1 3.48Å; L133-I330 HydrophobicContact CD2-CG2 4.43Å; P135-I330 CarbonylContact C-O 3.35Å; P135-I330 WeakPolarHBondContact CA-O 3.14Å; P135-I330 HydrophobicContact CB-CG2 4.3Å; L136-I330 PolarHBondContact N-O 2.95Å; Y139-I330 HydrophobicContact CD1-CG1 4.27Å; Y139-I330 HydrophobicContact CD1-CG2 4.19Å; Y139-I330 HydrophobicContact CD2-CG1 4.05Å; Y139-I330 HydrophobicContact CE1-CD1 4.28Å; Y139-I330 HydrophobicContact CE1-CG1 4.12Å; Y139-I330 HydrophobicContact CE1-CG2 4.18Å; Y139-I330 HydrophobicContact CE2-CD1 4.14Å; Y139-I330 HydrophobicContact CE2-CG1 3.88Å; Y139-I330 HydrophobicContact CG-CG1 4.23Å; L191-I330 HydrophobicContact CD1-CD1 3.72Å; F327-I330 HydrophobicContact CB-CB 4.44Å; F327-I330 HydrophobicContact CB-CD1 4.06Å; F327-I330 HydrophobicContact CB-CG1 4.23Å; F327-I330 HydrophobicContact CD1-CD1 3.84Å; F327-I330 HydrophobicContact CG-CD1 4.17Å; F327-I330 WeakPolarHBondContact O-CA 3.37Å; F327-I330 WeakPolarHBondContact O-CB 3.29Å; F327-I330 PolarHBondContact O-N 2.99Å; S328-I330 VanDerWaalsContact C-N 3.28Å; S328-I330 PolarHBondContact O-N 3.45Å; I330-L336 HydrophobicContact CB-CD1 3.79Å; I330-L336 HydrophobicContact CG2-CD1 3.57Å
331	S	93.4	Very high	93.9	Very high	8 Å²	8	56.9 Å²	56.9	6%	0.056	29%	0.288	C	S	.	.			trans	-148.4	129.4	178.7	-174.3	0	0	0	0	111.2	L133 F327 S328 I334	L133-S331 WeakPolarHBondContact CD1-OG 3.33Å; F327-S331 PolarHBondContact O-N 2.66Å; S328-S331 WeakPolarHBondContact CA-O 3.5Å; S328-S331 CarbonylContact O-C 3.57Å; S331-I334 PolarHBondContact OG-N 3.4Å
332	E	90.8	Very high	93.7	Very high	157 Å²	157	55.6 Å²	55.6	73%	0.734	28%	0.283	S	S	*	.	S	Bend	trans	-82.6	-25.7	175.4	-64	179.8	177.4	0	0	112.3	L136	L136-E332 HydrophobicContact CD1-CG 4.1Å; L136-E332 HydrophobicContact CD2-CG 4.26Å
333	E	88.6	Confident	93.4	Very high	174 Å²	174	53.9 Å²	53.9	81%	0.813	27%	0.271	S	S	*	.	S	Bend	trans	-90.4	-40.7	-172.6	-62.6	-178.7	176.3	0	0	112.5
334	I	88.4	Confident	93.2	Very high	43 Å²	43	48.5 Å²	48.5	22%	0.221	24%	0.242	C	C	.	.	S	Bend	trans	-111.3	121.6	-174.8	-63.8	167.7	0	0	0	108.4	L133 S331 L336	L133-I334 HydrophobicContact CD1-CB 3.68Å; L133-I334 HydrophobicContact CD1-CD1 3.72Å; L133-I334 HydrophobicContact CD1-CG1 4.22Å; L133-I334 HydrophobicContact CD1-CG2 4.05Å; S331-I334 PolarHBondContact OG-N 3.4Å; I334-L336 HydrophobicContact CG2-CD2 4.01Å; I334-L336 PolarHBondContact O-N 3.38Å
335	K	91.2	Very high	92.8	Very high	191 Å²	191	41.9 Å²	41.9	83%	0.83	21%	0.209	S	C	*	.			trans	-66.2	129.5	170.1	-68	-172.2	176.6	-172.6	0	109.6
336	L	93.5	Very high	92.4	Very high	9 Å²	9	41.9 Å²	41.9	5%	0.047	21%	0.208	C	C	.	.			trans	-116.8	156.2	-178.6	-57.7	169.5	0	0	0	110.3	L133 A190 A325 F327 I330 I334	L133-L336 HydrophobicContact CD1-CD1 4.32Å; L133-L336 HydrophobicContact CD1-CD2 3.86Å; L133-L336 HydrophobicContact CD1-CG 4.45Å; L133-L336 HydrophobicContact CD2-CD1 3.8Å; L133-L336 HydrophobicContact CD2-CD2 3.88Å; L133-L336 HydrophobicContact CD2-CG 4.47Å; A190-L336 HydrophobicContact CB-CD2 3.89Å; A325-L336 WeakPolarHBondContact CB-O 3.46Å; F327-L336 HydrophobicContact CB-CB 4.03Å; F327-L336 HydrophobicContact CB-CD1 4.41Å; F327-L336 HydrophobicContact CD2-CB 4.28Å; F327-L336 WeakPolarHBondContact CD2-O 3.37Å; I330-L336 HydrophobicContact CB-CD1 3.79Å; I330-L336 HydrophobicContact CG2-CD1 3.57Å; I334-L336 HydrophobicContact CG2-CD2 4.01Å; I334-L336 PolarHBondContact O-N 3.38Å
337	K	94.1	Very high	92	Very high	80 Å²	80	39 Å²	39	35%	0.348	19%	0.193	S	C	.	.			trans	-145.1	155.3	165.5	63.9	-176.3	178.1	-175.1	0	109.2	S322 D323 A325 S339	S322-K337 WeakPolarHBondContact O-CB 3.24Å; D323-K337 IonicContact OD1-NZ 2.73Å; D323-K337 PolarHBondContact OD1-NZ 2.93Å; A325-K337 HydrophobicContact CB-CB 3.88Å; K337-S339 PolarHBondContact O-N 2.88Å; K337-S339 PolarHBondContact O-OG 3.5Å
338	V	94	Very high	91.5	Very high	5 Å²	5	40.5 Å²	40.5	3%	0.03	20%	0.204	C	C	.	.			trans	-63.9	119.9	173.3	179.2	0	0	0	0	108.1	L75 A320 Y321 F327 V341	L75-V338 HydrophobicContact CD1-CG2 4.28Å; L75-V338 HydrophobicContact CD2-CG2 3.54Å; A320-V338 HydrophobicContact CB-CG2 3.97Å; A320-V338 PolarHBondContact O-N 3.37Å; Y321-V338 HydrophobicContact CD1-CB 4.04Å; Y321-V338 HydrophobicContact CD1-CG1 4.02Å; Y321-V338 WeakPolarHBondContact CD1-O 3.42Å; Y321-V338 HydrophobicContact CE1-CB 4.02Å; Y321-V338 HydrophobicContact CE1-CG1 3.5Å; Y321-V338 VanDerWaalsContact CE1-CG1 3.5Å; Y321-V338 HydrophobicContact CG-CB 4.42Å; F327-V338 HydrophobicContact CE2-CG2 3.96Å; F327-V338 HydrophobicContact CZ-CG2 3.76Å; V338-V341 HydrophobicContact CG1-CG2 3.62Å
339	S	92.3	Very high	91.1	Very high	31 Å²	31	38.4 Å²	38.4	22%	0.217	19%	0.189	C	C	.	.			trans	-93.7	-36.2	179.5	-50	0	0	0	0	111.7	A190 L191 K337	A190-S339 PolarHBondContact N-OG 2.94Å; A190-S339 VanDerWaalsContact N-OG 3.09Å; L191-S339 VanDerWaalsContact O-CB 3.31Å; L191-S339 WeakPolarHBondContact O-CB 3.29Å; L191-S339 PolarHBondContact O-N 2.87Å; L191-S339 PolarHBondContact O-OG 2.68Å; K337-S339 PolarHBondContact O-N 2.88Å; K337-S339 PolarHBondContact O-OG 3.5Å
340	K	91.5	Very high	90.9	Very high	18 Å²	18	38.7 Å²	38.7	8%	0.078	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.1	142.2	-180	-172.5	165.2	-172.5	160.5	0	110.5	D184 M189 V192 L193	D184-K340 PolarHBondContact O-NZ 3.14Å; D184-K340 IonicContact OD1-NZ 3.49Å; D184-K340 PolarHBondContact OD1-NZ 3.26Å; D184-K340 IonicContact OD2-NZ 2.75Å; D184-K340 PolarHBondContact OD2-NZ 3.14Å; M189-K340 HydrophobicContact CE-CB 4.27Å; M189-K340 HydrophobicContact CE-CD 4.21Å; M189-K340 HydrophobicContact SD-CB 4.45Å; V192-K340 WeakPolarHBondContact CA-O 3.42Å; V192-K340 HydrophobicContact CG1-CB 4.2Å; V192-K340 HydrophobicContact CG2-CB 4.33Å; L193-K340 PolarHBondContact N-O 2.94Å
341	V	92.3	Very high	90.6	Very high	2 Å²	2	39.1 Å²	39.1	1%	0.012	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	109	168.7	-176.6	0	0	0	0	109	L193 M308 D309 L312 Y321 V338	L193-V341 HydrophobicContact CB-CG1 4.46Å; L193-V341 HydrophobicContact CB-CG2 4.19Å; L193-V341 HydrophobicContact CD2-CG1 4.14Å; L193-V341 HydrophobicContact CD2-CG2 4.27Å; L193-V341 HydrophobicContact CG-CG1 4.46Å; L193-V341 WeakPolarHBondContact O-CA 3.32Å; M308-V341 HydrophobicContact CB-CB 4.07Å; M308-V341 HydrophobicContact CB-CG1 3.89Å; M308-V341 HydrophobicContact CG-CG1 4.37Å; M308-V341 PolarHBondContact N-O 3.47Å; D309-V341 PolarHBondContact OD1-N 3.06Å; L312-V341 HydrophobicContact CD1-CB 4.06Å; L312-V341 HydrophobicContact CD1-CG1 3.95Å; L312-V341 HydrophobicContact CD1-CG2 3.95Å; Y321-V341 WeakPolarHBondContact OH-CG2 3.41Å; V338-V341 HydrophobicContact CG1-CG2 3.62Å
342	S	90.9	Very high	90	Very high	6 Å²	6	39.7 Å²	39.7	4%	0.042	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	125.7	178.1	-76.7	0	0	0	0	111	I181 L193 N195	I181-S342 PolarHBondContact O-OG 3.23Å; L193-S342 PolarHBondContact O-N 3.36Å; N195-S342 PolarHBondContact N-O 3.31Å
343	H	90.7	Very high	88.6	Confident	2 Å²	2	32.3 Å²	32.3	1%	0.009	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	129.8	175.9	179.3	61.8	0	0	0	110.6	M63 S64 L68 N195 T306 M308	M63-H343 WeakPolarHBondContact CA-NE2 3.41Å; S64-H343 PolarHBondContact N-CE1 3.41Å; S64-H343 PolarHBondContact N-NE2 3.46Å; L68-H343 HydrophobicContact CD2-CB 3.94Å; L68-H343 HydrophobicContact CG-CB 4.47Å; N195-H343 WeakPolarHBondContact O-CA 3.38Å; N195-H343 PolarHBondContact OD1-CE1 3.32Å; N195-H343 PolarHBondContact OD1-ND1 2.85Å; T306-H343 PolarHBondContact N-O 3.4Å; M308-H343 HydrophobicContact CE-CB 4.19Å; M308-H343 HydrophobicContact CG-CB 3.81Å
344	Q	90.1	Very high	86.1	Confident	14 Å²	14	25.1 Å²	25.1	7%	0.065	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	125	169.9	-168.2	165.1	5.9	0	0	111.1	I178 I181 N195 V197 S303 V346	I178-Q344 HydrophobicContact CD1-CB 4.45Å; I178-Q344 HydrophobicContact CD1-CG 4.37Å; I178-Q344 HydrophobicContact CG1-CG 4.45Å; I178-Q344 HydrophobicContact CG2-CB 4.27Å; I178-Q344 HydrophobicContact CG2-CG 4.16Å; I181-Q344 HydrophobicContact CD1-CB 3.98Å; I181-Q344 HydrophobicContact CG1-CB 4.07Å; N195-Q344 PolarHBondContact O-N 2.8Å; N195-Q344 VanDerWaalsContact O-N 3.14Å; V197-Q344 PolarHBondContact N-O 2.9Å; S303-Q344 PolarHBondContact OG-NE2 2.94Å; Q344-V346 HydrophobicContact CG-CG2 4.36Å
345	A	88.6	Confident	83.3	Confident	0 Å²	0	31.6 Å²	31.6	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	129.4	177.6	0	0	0	0	0	109.4	F62 V197 V304 F393	F62-A345 HydrophobicContact CD1-CB 3.69Å; F62-A345 HydrophobicContact CE1-CB 3.79Å; V197-A345 WeakPolarHBondContact O-CA 2.96Å; V304-A345 PolarHBondContact N-O 2.98Å; A345-F393 HydrophobicContact CB-CD1 4.1Å; A345-F393 HydrophobicContact CB-CE1 3.88Å
346	V	88.6	Confident	80.6	Confident	12 Å²	12	25 Å²	25	7%	0.073	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	125.8	179.4	-178.5	0	0	0	0	110.3	I178 V197 Y198 F199 I302 Q344	I178-V346 HydrophobicContact CD1-CG2 4.05Å; I178-V346 HydrophobicContact CG1-CG2 3.7Å; V197-V346 PolarHBondContact O-N 2.89Å; Y198-V346 HydrophobicContact CD2-CB 4.06Å; Y198-V346 HydrophobicContact CD2-CG1 4Å; Y198-V346 HydrophobicContact CE2-CG1 4.42Å; F199-V346 PolarHBondContact N-O 2.86Å; I302-V346 WeakPolarHBondContact O-CA 3.19Å; Q344-V346 HydrophobicContact CG-CG2 4.36Å
347	L	87.9	Confident	77.6	Confident	0 Å²	0	29.1 Å²	29.1	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	131.9	174.5	172.2	70.2	0	0	0	109.8	F62 F199 M259 F300 S301 I302 V349	F62-L347 HydrophobicContact CE1-CB 3.52Å; F62-L347 HydrophobicContact CE2-CB 4.04Å; F62-L347 HydrophobicContact CE2-CD2 3.65Å; F62-L347 HydrophobicContact CE2-CG 4.5Å; F62-L347 HydrophobicContact CZ-CB 3.24Å; F62-L347 HydrophobicContact CZ-CD2 3.63Å; F62-L347 HydrophobicContact CZ-CG 4.03Å; F199-L347 HydrophobicContact CD1-CD1 3.84Å; M259-L347 HydrophobicContact CE-CD2 4.25Å; F300-L347 HydrophobicContact CE2-CD2 4.01Å; S301-L347 WeakPolarHBondContact CA-O 3.22Å; I302-L347 HydrophobicContact CG2-CB 3.92Å; I302-L347 PolarHBondContact N-O 3.13Å; I302-L347 PolarHBondContact O-N 2.82Å; L347-V349 HydrophobicContact CD1-CG2 4.32Å; L347-V349 HydrophobicContact CD2-CG2 4.23Å; L347-V349 HydrophobicContact CG-CG2 4.08Å
348	S	86.6	Confident	74.6	Confident	36 Å²	36	30.4 Å²	30.4	25%	0.252	20%	0.2	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	127	174.3	-178.1	0	0	0	0	109.5
349	V	89.3	Confident	71.7	Confident	4 Å²	4	34 Å²	34	2%	0.024	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	115.3	178.8	176.3	0	0	0	0	109.6	W203 M230 M259 M297 F300 L347	W203-V349 HydrophobicContact CZ2-CG1 3.87Å; M230-V349 HydrophobicContact CE-CG1 3.92Å; M259-V349 HydrophobicContact CE-CG2 3.6Å; M297-V349 HydrophobicContact CE-CG1 3.7Å; F300-V349 HydrophobicContact CD1-CB 4.17Å; F300-V349 HydrophobicContact CD2-CB 4.43Å; F300-V349 HydrophobicContact CD2-CG2 4.26Å; F300-V349 HydrophobicContact CE1-CB 3.98Å; F300-V349 HydrophobicContact CE1-CG1 4.15Å; F300-V349 HydrophobicContact CE1-CG2 3.98Å; F300-V349 HydrophobicContact CE2-CB 4.25Å; F300-V349 HydrophobicContact CE2-CG2 3.67Å; F300-V349 HydrophobicContact CG-CB 4.39Å; F300-V349 HydrophobicContact CZ-CB 4.03Å; F300-V349 HydrophobicContact CZ-CG2 3.52Å; F300-V349 PolarHBondContact N-O 3.37Å; F300-V349 PolarHBondContact O-N 3.48Å; L347-V349 HydrophobicContact CD1-CG2 4.32Å; L347-V349 HydrophobicContact CD2-CG2 4.23Å; L347-V349 HydrophobicContact CG-CG2 4.08Å
350	D	90.3	Very high	68.9	Low	21 Å²	21	39.6 Å²	39.6	11%	0.112	26%	0.263	C	S	.	.			trans	-132.8	178.6	175.3	71.9	45.2	0	0	0	110.4	R200 W203 T352 G353	R200-D350 IonicContact NH2-OD2 3.05Å; R200-D350 PolarHBondContact NH2-OD2 3.15Å; W203-D350 PolarHBondContact NE1-O 3.05Å; D350-T352 PolarHBondContact O-N 2.8Å; D350-T352 VanDerWaalsContact O-N 3.15Å; D350-T352 WeakPolarHBondContact OD1-CA 3.45Å; D350-T352 PolarHBondContact OD1-N 2.92Å; D350-T352 PolarHBondContact OD1-OG1 3.37Å; D350-G353 PolarHBondContact OD1-N 2.85Å
351	E	89.8	Confident	66.5	Low	9 Å²	9	43.8 Å²	43.8	4%	0.042	29%	0.29	C	S	.	.	S	Bend	trans	-61.6	-25.4	-175.3	-62.9	88.8	162	0	0	113.5	P206 F207 K209 T212 M230 K299	P206-E351 CarbonylContact C-O 3.58Å; P206-E351 WeakPolarHBondContact CA-O 3.46Å; P206-E351 VanDerWaalsContact CB-O 3.24Å; P206-E351 WeakPolarHBondContact CB-O 3.32Å; F207-E351 HydrophobicContact CB-CB 3.89Å; F207-E351 HydrophobicContact CB-CG 4.1Å; F207-E351 PolarHBondContact N-O 2.8Å; K209-E351 HydrophobicContact CB-CG 4.43Å; K209-E351 HydrophobicContact CG-CB 3.71Å; K209-E351 HydrophobicContact CG-CG 3.77Å; T212-E351 WeakPolarHBondContact OG1-CG 3.33Å; T212-E351 PolarHBondContact OG1-OE1 2.71Å; M230-E351 HydrophobicContact CG-CG 3.94Å; M230-E351 VanDerWaalsContact SD-CA 3.58Å; M230-E351 HydrophobicContact SD-CB 4.24Å; M230-E351 HydrophobicContact SD-CG 3.76Å; M230-E351 PolarHBondContact SD-N 2.72Å; M230-E351 VanDerWaalsContact SD-N 3.37Å; K299-E351 WeakPolarHBondContact CD-OE1 3.49Å; K299-E351 VanDerWaalsContact CE-OE2 3.28Å; K299-E351 WeakPolarHBondContact CE-OE2 3.39Å; K299-E351 VanDerWaalsContact NZ-CD 3.27Å; K299-E351 IonicContact NZ-OE1 3Å; K299-E351 PolarHBondContact NZ-OE1 3.5Å; K299-E351 IonicContact NZ-OE2 2.75Å; K299-E351 PolarHBondContact NZ-OE2 3.41Å
352	T	79.4	Confident	64	Low	19 Å²	19	51.1 Å²	51.1	12%	0.117	33%	0.327	C	S	.	.	S	Bend	trans	-108.6	-31.2	-171.4	52.7	0	0	0	0	113.7	W203 K209 D350 T354	W203-T352 PolarHBondContact N-O 2.78Å; K209-T352 VanDerWaalsContact CE-CG2 3.5Å; D350-T352 PolarHBondContact O-N 2.8Å; D350-T352 VanDerWaalsContact O-N 3.15Å; D350-T352 WeakPolarHBondContact OD1-CA 3.45Å; D350-T352 PolarHBondContact OD1-N 2.92Å; D350-T352 PolarHBondContact OD1-OG1 3.37Å; T352-T354 PolarHBondContact O-N 2.83Å; T352-T354 VanDerWaalsContact O-N 3.08Å
353	G	63.4	Low	61.9	Low	3 Å²	3	57.8 Å²	57.8	3%	0.031	36%	0.358	C	S	.	.	S	Bend	trans	75.3	-46.3	-162	0	0	0	0	0	113.2	R200 G201 D350	R200-G353 WeakPolarHBondContact CD-O 3.47Å; R200-G353 WeakPolarHBondContact CG-O 3.2Å; R200-G353 PolarHBondContact NE-O 3.13Å; G201-G353 CarbonylContact O-C 3.36Å; G201-G353 WeakPolarHBondContact O-CA 3.26Å; D350-G353 PolarHBondContact OD1-N 2.85Å
354	T	34.3	Very low	59.9	Low	23 Å²	23	65 Å²	65	14%	0.141	40%	0.395	C	S	.	.	S	Bend	trans	-177.7	143.4	155.5	-65.1	0	0	0	0	109.1	R200 Q202 T352	R200-T354 WeakPolarHBondContact CD-OG1 3.21Å; R200-T354 WeakPolarHBondContact CG-OG1 3.02Å; R200-T354 PolarHBondContact NE-OG1 2.75Å; R200-T354 PolarHBondContact NH1-OG1 3Å; R200-T354 PolarHBondContact NH2-OG1 2.77Å; Q202-T354 VanDerWaalsContact CG-O 3.31Å; Q202-T354 WeakPolarHBondContact CG-O 3.47Å; Q202-T354 PolarHBondContact NE2-O 2.8Å; Q202-T354 VanDerWaalsContact NE2-O 3.12Å; T352-T354 PolarHBondContact O-N 2.83Å; T352-T354 VanDerWaalsContact O-N 3.08Å
355	E	31.2	Very low	58	Low	178 Å²	178	72.3 Å²	72.3	83%	0.832	43%	0.431	S	S	*	.			trans	12.8	111.3	-178.2	-78.9	-168.5	167.8	0	0	119.1
356	A	32.7	Very low	56.4	Low	52 Å²	52	74 Å²	74	43%	0.43	44%	0.442	S	S	.	.			trans	-127.3	129.4	162.9	0	0	0	0	0	109.8
357	A	31.9	Very low	54.7	Low	96 Å²	96	83.2 Å²	83.2	79%	0.793	49%	0.487	S	S	*	.			trans	-64.2	139	157.5	0	0	0	0	0	108.6	A359	A357-A359 PolarHBondContact O-N 3.05Å
358	A	29.7	Very low	53.6	Low	108 Å²	108	87.1 Å²	87.1	89%	0.893	52%	0.515	S	S	*	.			trans	-56.7	109.8	179.6	0	0	0	0	0	110.5
359	A	33.6	Very low	53	Low	81 Å²	81	93.3 Å²	93.3	67%	0.669	54%	0.544	S	S	*	.			trans	-99.1	114.1	164.6	0	0	0	0	0	107.6	A357 T361	A357-A359 PolarHBondContact O-N 3.05Å; A359-T361 PolarHBondContact O-N 2.86Å; A359-T361 PolarHBondContact O-OG1 2.9Å
360	T	34.1	Very low	52.4	Low	147 Å²	147	94.6 Å²	94.6	90%	0.902	55%	0.552	S	S	*	*			trans	-58.9	105.2	175.8	-35.2	0	0	0	0	108.4
361	T	41.4	Very low	52.4	Low	106 Å²	106	97 Å²	97	65%	0.65	56%	0.564	S	S	*	*			trans	-91.2	130.7	177.2	-35.1	0	0	0	0	107.6	A359 E363	A359-T361 PolarHBondContact O-N 2.86Å; A359-T361 PolarHBondContact O-OG1 2.9Å; T361-E363 PolarHBondContact O-N 3.25Å
362	I	39.6	Very low	52.6	Low	156 Å²	156	100 Å²	100	80%	0.8	58%	0.581	S	S	*	*			trans	-72.7	110.6	175.9	-61.1	171.7	0	0	0	107.7	I364	I362-I364 PolarHBondContact O-N 3.42Å
363	E	46.2	Very low	53.4	Low	146 Å²	146	99.5 Å²	99.5	68%	0.682	58%	0.577	S	S	*	*			trans	-80	110	174.8	-66.3	-173.3	165.9	0	0	109.6	T361 M365	T361-E363 PolarHBondContact O-N 3.25Å; E363-M365 PolarHBondContact O-N 3.46Å
364	I	50.2	Low	55.1	Low	153 Å²	153	104.4 Å²	104.4	79%	0.785	60%	0.595	S	S	*	*			trans	-79.8	113.8	172	-59.4	175.1	0	0	0	107.3	I362	I362-I364 PolarHBondContact O-N 3.42Å
365	M	49.6	Very low	58.1	Low	168 Å²	168	103.3 Å²	103.3	83%	0.828	59%	0.588	S	S	*	*			trans	-69.5	126.6	175.7	-74.1	-174.8	149.5	0	0	110.6	E363	E363-M365 PolarHBondContact O-N 3.46Å
366	P	53.8	Low	61.3	Low	35 Å²	35	96.6 Å²	96.6	23%	0.227	56%	0.558	C	S	.	*			trans	-69	147	176.8	26.3	-31.4	0	0	0	111.8	N292 S368	N292-P366 HydrophobicContact CB-CB 4.25Å; P366-S368 VanDerWaalsContact C-N 3.26Å; P366-S368 PolarHBondContact O-N 2.82Å
367	M	54.8	Low	64.3	Low	206 Å²	206	96.1 Å²	96.1	100%	1.015	55%	0.545	S	S	*	.	S	Bend	trans	-80.3	-4.7	174.4	-67	-163.7	-73.4	0	0	113.6
368	S	64.6	Low	67.4	Low	83 Å²	83	93 Å²	93	58%	0.58	52%	0.517	S	S	*	.	S	Bend	trans	-124.8	158.4	177.2	61.3	0	0	0	0	110.4	P366 P370	P366-S368 VanDerWaalsContact C-N 3.26Å; P366-S368 PolarHBondContact O-N 2.82Å; S368-P370 WeakPolarHBondContact O-CD 3.42Å
369	L	72.7	Confident	70.7	Confident	166 Å²	166	87.8 Å²	87.8	87%	0.869	47%	0.474	S	S	*	.	P	Polyproline II helix	trans	-59	122.4	173.5	-72.6	170	0	0	0	109.6
370	P	78	Confident	73.7	Confident	31 Å²	31	84 Å²	84	20%	0.201	44%	0.442	C	S	.	.	P	Polyproline II helix	trans	-67	150.9	176.2	26.2	-32.5	0	0	0	110.9	N294 S368	N294-P370 WeakPolarHBondContact ND2-CG 3.28Å; S368-P370 WeakPolarHBondContact O-CD 3.42Å
371	I	88.5	Confident	76.7	Confident	70 Å²	70	77 Å²	77	36%	0.359	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	128.5	176.5	-60.2	169.4	0	0	0	108.7	N292 L293 N294 V373	N292-I371 PolarHBondContact O-N 2.98Å; L293-I371 CarbonylContact C-O 3.54Å; L293-I371 VanDerWaalsContact CA-O 3.29Å; L293-I371 WeakPolarHBondContact CA-O 3.41Å; L293-I371 HydrophobicContact CD2-CB 3.84Å; L293-I371 HydrophobicContact CD2-CD1 4.43Å; L293-I371 HydrophobicContact CD2-CG2 4.4Å; N294-I371 PolarHBondContact N-O 2.79Å; I371-V373 HydrophobicContact CG2-CG2 4.14Å
372	D	94.6	Very high	79.4	Confident	74 Å²	74	72.1 Å²	72.1	40%	0.396	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	119.9	171.6	-89.3	25.4	0	0	0	109.7	N294 R374	N294-D372 VanDerWaalsContact CB-OD1 3.29Å; N294-D372 WeakPolarHBondContact CB-OD1 3.25Å; N294-D372 PolarHBondContact ND2-OD1 3.14Å; D372-R374 IonicContact OD2-CZ 3.28Å; D372-R374 IonicContact OD2-NE 3.02Å; D372-R374 PolarHBondContact OD2-NE 2.8Å; D372-R374 IonicContact OD2-NH2 2.66Å; D372-R374 PolarHBondContact OD2-NH2 2.86Å
373	V	97.1	Very high	82.1	Confident	7 Å²	7	64.7 Å²	64.7	4%	0.042	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	115.9	169.9	-171.8	0	0	0	0	109.3	Y238 T247 I249 L263 L293 N294 L295 Y296 I371	Y238-V373 HydrophobicContact CE2-CG2 4.07Å; T247-V373 HydrophobicContact CG2-CG1 4.14Å; I249-V373 HydrophobicContact CD1-CB 3.99Å; I249-V373 HydrophobicContact CD1-CG1 3.36Å; I249-V373 HydrophobicContact CG1-CG1 4.42Å; L263-V373 HydrophobicContact CD2-CG1 3.87Å; L293-V373 HydrophobicContact CD1-CG2 4.12Å; L293-V373 HydrophobicContact CD2-CG2 4.33Å; N294-V373 PolarHBondContact O-N 2.78Å; L295-V373 HydrophobicContact CD1-CB 4.46Å; Y296-V373 PolarHBondContact N-O 2.76Å; I371-V373 HydrophobicContact CG2-CG2 4.14Å
374	R	97.9	Very high	84.4	Confident	107 Å²	107	58.6 Å²	58.6	40%	0.404	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	116.6	-175.2	-63.8	174.3	-177.2	-99.7	-3.3	110.5	Y296 D372 N376	Y296-R374 HydrophobicContact CD2-CG 3.58Å; Y296-R374 HydrophobicContact CE2-CG 4.27Å; Y296-R374 HydrophobicContact CG-CG 3.92Å; Y296-R374 PolarHBondContact OH-NH2 3.34Å; D372-R374 IonicContact OD2-CZ 3.28Å; D372-R374 IonicContact OD2-NE 3.02Å; D372-R374 PolarHBondContact OD2-NE 2.8Å; D372-R374 IonicContact OD2-NH2 2.66Å; D372-R374 PolarHBondContact OD2-NH2 2.86Å; R374-N376 HydrophobicContact CB-CB 4.41Å; R374-N376 PolarHBondContact O-N 2.87Å; R374-N376 PolarHBondContact O-OD1 2.91Å
375	L	97.9	Very high	86.4	Confident	0 Å²	0	51.3 Å²	51.3	0%	0	27%	0.266	C	S	.	.			trans	-84.4	58.4	172.4	-56.9	176	0	0	0	109.7	F217 I261 L263 L295 Y296 M297 P298 F379	F217-L375 WeakPolarHBondContact CD2-O 2.95Å; F217-L375 VanDerWaalsContact CE2-O 3.24Å; F217-L375 WeakPolarHBondContact CE2-O 3.28Å; I261-L375 HydrophobicContact CD1-CD1 3.57Å; I261-L375 HydrophobicContact CG2-CD1 3.98Å; I261-L375 HydrophobicContact CG2-CD2 3.61Å; I261-L375 HydrophobicContact CG2-CG 4.47Å; L263-L375 HydrophobicContact CB-CD2 3.95Å; L263-L375 HydrophobicContact CD1-CD2 3.8Å; L263-L375 HydrophobicContact CD2-CD2 3.83Å; L263-L375 HydrophobicContact CG-CD2 4.04Å; L295-L375 HydrophobicContact CD1-CD1 4.43Å; Y296-L375 WeakPolarHBondContact O-CB 3.36Å; Y296-L375 PolarHBondContact O-N 3.41Å; M297-L375 HydrophobicContact CB-CD1 3.89Å; M297-L375 HydrophobicContact CG-CD1 3.71Å; M297-L375 HydrophobicContact SD-CD1 4.23Å; P298-L375 VanDerWaalsContact CD-O 3.24Å; P298-L375 WeakPolarHBondContact CD-O 3.28Å; L375-F379 HydrophobicContact CB-CD1 4.25Å; L375-F379 HydrophobicContact CB-CE1 4.28Å
376	N	97.4	Very high	88.5	Confident	37 Å²	37	46.6 Å²	46.6	20%	0.198	24%	0.241	C	C	.	.			trans	-106.4	21.6	-176.2	71.3	-28	0	0	0	112.9	H218 M229 R374	H218-N376 WeakPolarHBondContact CB-O 3.44Å; H218-N376 PolarHBondContact CD2-O 2.87Å; H218-N376 PolarHBondContact N-O 3.4Å; M229-N376 HydrophobicContact CE-CB 4.18Å; R374-N376 HydrophobicContact CB-CB 4.41Å; R374-N376 PolarHBondContact O-N 2.87Å; R374-N376 PolarHBondContact O-OD1 2.91Å
377	R	97.1	Very high	90.3	Very high	41 Å²	41	45.9 Å²	45.9	16%	0.155	24%	0.237	C	C	.	.	S	Bend	trans	-153.6	169	178.6	67.6	-177.8	177.6	-82.5	4.9	109.3	F217 H218 L263 P264 F379	F217-R377 WeakPolarHBondContact CE2-O 3.25Å; F217-R377 WeakPolarHBondContact CZ-O 3.41Å; H218-R377 WeakPolarHBondContact O-CA 3.1Å; L263-R377 HydrophobicContact CD1-CG 3.93Å; P264-R377 PolarHBondContact O-NE 3.07Å; P264-R377 PolarHBondContact O-NH2 2.89Å; R377-F379 WeakPolarHBondContact O-CD1 3.32Å; R377-F379 PolarHBondContact O-N 3.48Å
378	P	97.3	Very high	92	Very high	30 Å²	30	36 Å²	36	20%	0.195	19%	0.189	C	C	.	.			trans	-54	135	-175.9	-28.6	37.7	0	0	0	112.9	H218 M269 I397	H218-P378 WeakPolarHBondContact O-CD 3.1Å; M269-P378 HydrophobicContact CE-CB 3.61Å; M269-P378 WeakPolarHBondContact CE-O 3.39Å; P378-I397 VanDerWaalsContact CA-O 3.23Å; P378-I397 WeakPolarHBondContact CA-O 2.95Å
379	F	97.9	Very high	93.4	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	158.1	-179.5	62.8	-91.8	0	0	0	110.7	F217 I261 L263 P298 F300 L375 R377 V381 I397	F217-F379 HydrophobicContact CE2-CD1 4.26Å; F217-F379 HydrophobicContact CE2-CE1 4.01Å; F217-F379 HydrophobicContact CZ-CD1 4.4Å; F217-F379 HydrophobicContact CZ-CE1 4.38Å; I261-F379 HydrophobicContact CG2-CB 4.47Å; I261-F379 HydrophobicContact CG2-CD2 3.96Å; I261-F379 HydrophobicContact CG2-CG 4.43Å; L263-F379 HydrophobicContact CD1-CB 4.01Å; P298-F379 HydrophobicContact CG-CE1 4.03Å; P298-F379 HydrophobicContact CG-CZ 4.35Å; F300-F379 HydrophobicContact CD1-CZ 4.32Å; F300-F379 HydrophobicContact CE1-CE2 4.24Å; F300-F379 AromaticContact CE1-CZ 3.77Å; F300-F379 HydrophobicContact CE1-CZ 3.77Å; F300-F379 HydrophobicContact CZ-CE2 4.33Å; F300-F379 HydrophobicContact CZ-CZ 4.25Å; L375-F379 HydrophobicContact CB-CD1 4.25Å; L375-F379 HydrophobicContact CB-CE1 4.28Å; R377-F379 WeakPolarHBondContact O-CD1 3.32Å; R377-F379 PolarHBondContact O-N 3.48Å; F379-V381 HydrophobicContact CE2-CB 4.48Å; F379-I397 HydrophobicContact CD1-CB 4.3Å; F379-I397 HydrophobicContact CD2-CB 4.33Å; F379-I397 HydrophobicContact CD2-CG1 4.28Å; F379-I397 HydrophobicContact CE1-CB 3.83Å; F379-I397 HydrophobicContact CE1-CG1 4.41Å; F379-I397 HydrophobicContact CE1-CG2 3.95Å; F379-I397 HydrophobicContact CE2-CB 3.87Å; F379-I397 HydrophobicContact CE2-CG1 3.59Å; F379-I397 HydrophobicContact CZ-CB 3.6Å; F379-I397 HydrophobicContact CZ-CG1 3.67Å; F379-I397 HydrophobicContact CZ-CG2 3.86Å; F379-I397 PolarHBondContact N-O 3.08Å; F379-I397 PolarHBondContact O-N 3.38Å
380	L	98	Very high	94.4	Very high	0 Å²	0	32 Å²	32	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	148.5	171.8	-44.9	173.8	0	0	0	110.2	Y48 V262 M269 V272 I276 F382 G395 K396	Y48-L380 HydrophobicContact CE2-CD2 4.45Å; Y48-L380 WeakPolarHBondContact OH-CD2 3.32Å; V262-L380 HydrophobicContact CB-CB 4.05Å; V262-L380 PolarHBondContact N-O 2.93Å; V262-L380 PolarHBondContact O-N 3.19Å; M269-L380 HydrophobicContact CE-CD2 4.21Å; M269-L380 HydrophobicContact CE-CG 4.47Å; M269-L380 HydrophobicContact SD-CD2 3.8Å; M269-L380 HydrophobicContact SD-CG 4.14Å; V272-L380 HydrophobicContact CG1-CD1 4.13Å; I276-L380 HydrophobicContact CD1-CD1 3.71Å; L380-F382 HydrophobicContact CB-CE2 3.9Å; L380-F382 HydrophobicContact CB-CZ 4.47Å; L380-F382 HydrophobicContact CD1-CE2 4.49Å; L380-G395 CarbonylContact C-O 3.48Å; L380-G395 VanDerWaalsContact CA-O 3.24Å; L380-G395 WeakPolarHBondContact CA-O 3.35Å; L380-K396 HydrophobicContact CD2-CB 3.67Å; L380-K396 HydrophobicContact CD2-CD 4.31Å; L380-K396 HydrophobicContact CD2-CG 3.97Å
381	V	96.7	Very high	95.3	Very high	1 Å²	1	31.2 Å²	31.2	1%	0.006	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	132.9	179.2	63.6	0	0	0	0	109.9	F62 M259 F379 I383 A394 G395 I397	F62-V381 HydrophobicContact CE2-CG1 4.35Å; M259-V381 HydrophobicContact CE-CG2 3.94Å; M259-V381 HydrophobicContact CG-CG2 3.52Å; M259-V381 HydrophobicContact SD-CG2 3.74Å; F379-V381 HydrophobicContact CE2-CB 4.48Å; V381-I383 HydrophobicContact CG2-CD1 4.29Å; V381-A394 CarbonylContact O-C 3.6Å; V381-A394 WeakPolarHBondContact O-CA 3.42Å; V381-G395 PolarHBondContact N-O 3.18Å; V381-G395 PolarHBondContact O-N 3.45Å; V381-I397 HydrophobicContact CG1-CD1 4.3Å; V381-I397 HydrophobicContact CG1-CG1 4.21Å
382	F	97.5	Very high	95.5	Very high	4 Å²	4	27.9 Å²	27.9	2%	0.018	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	128.1	172.5	-59.1	-90.2	0	0	0	109.1	F45 M259 L260 V262 I276 L281 L380 I384 I391 F393 A394	F45-F382 AromaticContact CE1-CE1 3.85Å; F45-F382 HydrophobicContact CE1-CE1 3.85Å; F45-F382 AromaticContact CE1-CZ 3.97Å; F45-F382 HydrophobicContact CE1-CZ 3.97Å; F45-F382 HydrophobicContact CZ-CE1 4.17Å; M259-F382 CarbonylContact C-O 3.51Å; M259-F382 WeakPolarHBondContact CA-O 3.27Å; L260-F382 HydrophobicContact CB-CB 4.32Å; L260-F382 PolarHBondContact N-O 2.75Å; L260-F382 PolarHBondContact O-N 2.77Å; V262-F382 HydrophobicContact CG2-CD2 3.99Å; V262-F382 HydrophobicContact CG2-CE2 3.82Å; I276-F382 HydrophobicContact CD1-CE2 3.74Å; I276-F382 HydrophobicContact CD1-CZ 3.55Å; L281-F382 HydrophobicContact CD1-CD1 4.39Å; L281-F382 HydrophobicContact CD1-CD2 3.84Å; L281-F382 HydrophobicContact CD1-CE2 4.1Å; L281-F382 HydrophobicContact CD1-CG 4.01Å; L281-F382 HydrophobicContact CD1-CZ 4.48Å; L380-F382 HydrophobicContact CB-CE2 3.9Å; L380-F382 HydrophobicContact CB-CZ 4.47Å; L380-F382 HydrophobicContact CD1-CE2 4.49Å; F382-I384 HydrophobicContact CB-CD1 4.33Å; F382-I384 HydrophobicContact CB-CG1 4.12Å; F382-I391 HydrophobicContact CD1-CG2 4.09Å; F382-F393 VanDerWaalsContact CA-O 3.31Å; F382-F393 WeakPolarHBondContact CA-O 3.23Å; F382-A394 HydrophobicContact CD1-CB 3.82Å; F382-A394 HydrophobicContact CE1-CB 3.79Å
383	I	95.4	Very high	95.6	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	113.5	170.4	-54.5	-55.3	0	0	0	107.2	F199 Y253 T257 S258 M259 V381 I392 F393	F199-I383 HydrophobicContact CD1-CG2 4.34Å; F199-I383 HydrophobicContact CE1-CG2 3.98Å; F199-I383 HydrophobicContact CZ-CG2 4.23Å; Y253-I383 HydrophobicContact CE2-CD1 4.11Å; T257-I383 HydrophobicContact CG2-CG2 3.41Å; T257-I383 VanDerWaalsContact CG2-CG2 3.41Å; S258-I383 WeakPolarHBondContact O-CA 3.12Å; M259-I383 HydrophobicContact CB-CD1 3.7Å; M259-I383 HydrophobicContact CE-CD1 3.66Å; M259-I383 HydrophobicContact CG-CD1 3.75Å; V381-I383 HydrophobicContact CG2-CD1 4.29Å; I383-I392 HydrophobicContact CB-CB 4.43Å; I383-I392 HydrophobicContact CG2-CB 4.29Å; I383-I392 HydrophobicContact CG2-CD1 4.37Å; I383-I392 PolarHBondContact O-N 2.92Å; I383-F393 HydrophobicContact CB-CB 4.04Å; I383-F393 HydrophobicContact CB-CD2 3.86Å; I383-F393 HydrophobicContact CB-CG 4.47Å; I383-F393 HydrophobicContact CG1-CB 3.88Å; I383-F393 HydrophobicContact CG1-CD2 3.88Å; I383-F393 HydrophobicContact CG1-CG 4.3Å; I383-F393 HydrophobicContact CG2-CD2 4.25Å; I383-F393 PolarHBondContact N-O 3.09Å; I383-F393 PolarHBondContact O-N 3.3Å
384	I	95.3	Very high	95.5	Very high	17 Å²	17	24.1 Å²	24.1	9%	0.087	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114	128.6	-171.2	-55.9	174.8	0	0	0	108.9	T257 S258 L260 L281 F382 S390	T257-I384 CarbonylContact C-O 3.55Å; T257-I384 VanDerWaalsContact CA-O 3.27Å; T257-I384 WeakPolarHBondContact CA-O 3.4Å; T257-I384 WeakPolarHBondContact CG2-O 3.46Å; S258-I384 PolarHBondContact N-O 3.42Å; S258-I384 PolarHBondContact O-N 3.36Å; L260-I384 HydrophobicContact CB-CD1 3.98Å; L260-I384 HydrophobicContact CD2-CD1 4.05Å; L281-I384 HydrophobicContact CD2-CD1 4.06Å; L281-I384 HydrophobicContact CG-CD1 4.39Å; F382-I384 HydrophobicContact CB-CD1 4.33Å; F382-I384 HydrophobicContact CB-CG1 4.12Å; I384-S390 WeakPolarHBondContact CA-O 3.45Å
385	E	93.3	Very high	95.3	Very high	1 Å²	1	19 Å²	19	1%	0.005	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	117.7	169.7	-159.8	-73.8	133.9	0	0	109.4	L112 N256 S387 T388 R389 S390 I392	L112-E385 HydrophobicContact CD2-CB 4.26Å; L112-E385 HydrophobicContact CD2-CG 3.74Å; N256-E385 VanDerWaalsContact CB-OE1 3.23Å; N256-E385 WeakPolarHBondContact CB-OE1 3.25Å; N256-E385 WeakPolarHBondContact O-CA 3.41Å; E385-S387 WeakPolarHBondContact OE1-CB 3.12Å; E385-S387 PolarHBondContact OE1-N 3.38Å; E385-S387 PolarHBondContact OE1-OG 2.85Å; E385-S387 PolarHBondContact OE2-N 3.04Å; E385-T388 WeakPolarHBondContact OE2-CA 3.41Å; E385-T388 VanDerWaalsContact OE2-CB 3.23Å; E385-T388 WeakPolarHBondContact OE2-CB 3.2Å; E385-T388 VanDerWaalsContact OE2-CG2 3.28Å; E385-T388 WeakPolarHBondContact OE2-CG2 3.41Å; E385-T388 PolarHBondContact OE2-N 2.99Å; E385-T388 PolarHBondContact OE2-OG1 2.9Å; E385-R389 VanDerWaalsContact O-CA 3.31Å; E385-R389 WeakPolarHBondContact O-CA 3.24Å; E385-R389 PolarHBondContact O-N 3.42Å; E385-S390 PolarHBondContact N-O 2.91Å; E385-S390 PolarHBondContact O-N 2.89Å; E385-S390 VanDerWaalsContact O-N 3.11Å; E385-I392 HydrophobicContact CB-CD1 3.81Å; E385-I392 HydrophobicContact CB-CG1 4.14Å; E385-I392 HydrophobicContact CG-CD1 4.45Å
386	H	92.1	Very high	95.2	Very high	68 Å²	68	20 Å²	20	32%	0.315	9%	0.092	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.1	-31.6	-165.7	-64.2	-69.1	0	0	0	112.9	N256 S258 H285	N256-H386 PolarHBondContact O-CD2 3.12Å; N256-H386 PolarHBondContact O-N 3.08Å; S258-H386 WeakPolarHBondContact CB-NE2 3Å; S258-H386 PolarHBondContact OG-CE1 3.38Å; S258-H386 PolarHBondContact OG-NE2 3.41Å; H285-H386 AromaticContact CE1-CE1 3.53Å; H285-H386 AromaticContact CE1-ND1 3.7Å
387	S	91.4	Very high	95.2	Very high	20 Å²	20	18.3 Å²	18.3	14%	0.14	8%	0.083	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.4	-47.8	-177.2	-37.4	0	0	0	0	111	M31 H34 N256 E385	M31-S387 WeakPolarHBondContact CE-O 3.27Å; H34-S387 PolarHBondContact NE2-O 3.17Å; N256-S387 WeakPolarHBondContact CB-OG 3.42Å; N256-S387 PolarHBondContact ND2-OG 3.22Å; E385-S387 WeakPolarHBondContact OE1-CB 3.12Å; E385-S387 PolarHBondContact OE1-N 3.38Å; E385-S387 PolarHBondContact OE1-OG 2.85Å; E385-S387 PolarHBondContact OE2-N 3.04Å
388	T	91.9	Very high	95.1	Very high	0 Å²	0	16.6 Å²	16.6	0%	0	8%	0.077	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.9	-10.6	-178.7	64.5	0	0	0	0	113	L108 M111 E385 S390	L108-T388 HydrophobicContact CG-CG2 4.34Å; M111-T388 HydrophobicContact CB-CG2 3.74Å; M111-T388 HydrophobicContact CG-CG2 4.34Å; E385-T388 WeakPolarHBondContact OE2-CA 3.41Å; E385-T388 VanDerWaalsContact OE2-CB 3.23Å; E385-T388 WeakPolarHBondContact OE2-CB 3.2Å; E385-T388 VanDerWaalsContact OE2-CG2 3.28Å; E385-T388 WeakPolarHBondContact OE2-CG2 3.41Å; E385-T388 PolarHBondContact OE2-N 2.99Å; E385-T388 PolarHBondContact OE2-OG1 2.9Å; T388-S390 VanDerWaalsContact C-N 3.26Å; T388-S390 WeakPolarHBondContact CB-OG 3.41Å; T388-S390 PolarHBondContact O-N 3.43Å; T388-S390 WeakPolarHBondContact OG1-CB 3.31Å; T388-S390 PolarHBondContact OG1-OG 3.49Å
389	R	92.7	Very high	94.9	Very high	160 Å²	160	16.5 Å²	16.5	60%	0.604	8%	0.075	S	C	*	.	T	Hydrogen-bonded Turn	trans	59.3	37.9	-174.7	-53.1	176.4	178.5	177.7	-0.6	112.1	E385	E385-R389 VanDerWaalsContact O-CA 3.31Å; E385-R389 WeakPolarHBondContact O-CA 3.24Å; E385-R389 PolarHBondContact O-N 3.42Å
390	S	94.3	Very high	94.7	Very high	3 Å²	3	17 Å²	17	2%	0.021	8%	0.078	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101	139.9	-174.1	-58.7	0	0	0	0	111.9	I384 E385 T388 I392	I384-S390 WeakPolarHBondContact CA-O 3.45Å; E385-S390 PolarHBondContact N-O 2.91Å; E385-S390 PolarHBondContact O-N 2.89Å; E385-S390 VanDerWaalsContact O-N 3.11Å; T388-S390 VanDerWaalsContact C-N 3.26Å; T388-S390 WeakPolarHBondContact CB-OG 3.41Å; T388-S390 PolarHBondContact O-N 3.43Å; T388-S390 WeakPolarHBondContact OG1-CB 3.31Å; T388-S390 PolarHBondContact OG1-OG 3.49Å; S390-I392 PolarHBondContact O-N 3.36Å
391	I	96.6	Very high	94.4	Very high	15 Å²	15	20.8 Å²	20.8	8%	0.077	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	98.7	166.6	-56.3	173.9	0	0	0	107.4	A41 A44 F45 P65 L66 L281 F382 F393 A394	A41-I391 HydrophobicContact CB-CD1 4.08Å; A44-I391 HydrophobicContact CB-CD1 4.2Å; F45-I391 HydrophobicContact CE2-CD1 4.1Å; F45-I391 HydrophobicContact CZ-CD1 4.38Å; P65-I391 HydrophobicContact CG-CG2 4.19Å; L66-I391 WeakPolarHBondContact CB-O 3.47Å; L66-I391 PolarHBondContact N-O 3.05Å; L281-I391 HydrophobicContact CD2-CD1 3.67Å; L281-I391 HydrophobicContact CD2-CG1 4.11Å; F382-I391 HydrophobicContact CD1-CG2 4.09Å; I391-F393 WeakPolarHBondContact CG2-O 3.41Å; I391-A394 HydrophobicContact CG2-CB 4.27Å
392	I	94.3	Very high	93.7	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.6	-46.9	179	-55.7	177	0	0	0	109.6	S64 L66 L121 T257 I383 E385 S390	S64-I392 WeakPolarHBondContact CA-O 3.37Å; S64-I392 VanDerWaalsContact CB-O 3.24Å; S64-I392 WeakPolarHBondContact CB-O 3.4Å; S64-I392 PolarHBondContact OG-O 3.41Å; L66-I392 HydrophobicContact CD2-CG1 4.29Å; L121-I392 HydrophobicContact CD1-CG2 3.92Å; L121-I392 HydrophobicContact CD2-CD1 3.93Å; T257-I392 HydrophobicContact CG2-CD1 4.28Å; I383-I392 HydrophobicContact CB-CB 4.43Å; I383-I392 HydrophobicContact CG2-CB 4.29Å; I383-I392 HydrophobicContact CG2-CD1 4.37Å; I383-I392 PolarHBondContact O-N 2.92Å; E385-I392 HydrophobicContact CB-CD1 3.81Å; E385-I392 HydrophobicContact CB-CG1 4.14Å; E385-I392 HydrophobicContact CG-CD1 4.45Å; S390-I392 PolarHBondContact O-N 3.36Å
393	F	94.9	Very high	91.8	Very high	1 Å²	1	27.4 Å²	27.4	0%	0.004	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	149.8	176.9	-61.5	-88.2	0	0	0	111.4	F62 M63 L121 V197 F199 A345 F382 I383 I391	F62-F393 HydrophobicContact CD1-CD1 4.44Å; F62-F393 AromaticContact CE1-CD1 3.42Å; F62-F393 HydrophobicContact CE1-CD1 3.42Å; F62-F393 VanDerWaalsContact CE1-CD1 3.42Å; F62-F393 AromaticContact CE1-CE1 3.79Å; F62-F393 HydrophobicContact CE1-CE1 3.79Å; F62-F393 HydrophobicContact CE1-CG 4.18Å; F62-F393 HydrophobicContact CE2-CB 3.86Å; F62-F393 HydrophobicContact CE2-CD1 4.23Å; F62-F393 HydrophobicContact CE2-CG 4.28Å; F62-F393 HydrophobicContact CZ-CB 3.63Å; F62-F393 AromaticContact CZ-CD1 3.25Å; F62-F393 HydrophobicContact CZ-CD1 3.25Å; F62-F393 HydrophobicContact CZ-CD2 4.46Å; F62-F393 AromaticContact CZ-CE1 3.97Å; F62-F393 HydrophobicContact CZ-CE1 3.97Å; F62-F393 AromaticContact CZ-CG 3.54Å; F62-F393 HydrophobicContact CZ-CG 3.54Å; M63-F393 WeakPolarHBondContact O-CA 3.42Å; L121-F393 HydrophobicContact CD1-CE2 4.49Å; V197-F393 HydrophobicContact CB-CE1 3.95Å; V197-F393 HydrophobicContact CB-CZ 3.98Å; V197-F393 HydrophobicContact CG1-CE1 3.8Å; V197-F393 HydrophobicContact CG1-CE2 4.13Å; V197-F393 HydrophobicContact CG1-CZ 3.36Å; F199-F393 HydrophobicContact CB-CD2 4.26Å; F199-F393 HydrophobicContact CB-CE2 3.21Å; F199-F393 HydrophobicContact CB-CZ 3.56Å; F199-F393 HydrophobicContact CD1-CE2 4.37Å; F199-F393 AromaticContact CG-CE2 3.9Å; F199-F393 HydrophobicContact CG-CE2 3.9Å; A345-F393 HydrophobicContact CB-CD1 4.1Å; A345-F393 HydrophobicContact CB-CE1 3.88Å; F382-F393 VanDerWaalsContact CA-O 3.31Å; F382-F393 WeakPolarHBondContact CA-O 3.23Å; I383-F393 HydrophobicContact CB-CB 4.04Å; I383-F393 HydrophobicContact CB-CD2 3.86Å; I383-F393 HydrophobicContact CB-CG 4.47Å; I383-F393 HydrophobicContact CG1-CB 3.88Å; I383-F393 HydrophobicContact CG1-CD2 3.88Å; I383-F393 HydrophobicContact CG1-CG 4.3Å; I383-F393 HydrophobicContact CG2-CD2 4.25Å; I383-F393 PolarHBondContact N-O 3.09Å; I383-F393 PolarHBondContact O-N 3.3Å; I391-F393 WeakPolarHBondContact CG2-O 3.41Å
394	A	96.2	Very high	91.7	Very high	1 Å²	1	28.8 Å²	28.8	1%	0.008	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	141	169.4	0	0	0	0	0	108.8	M63 P65 V381 F382 I391	M63-A394 PolarHBondContact N-O 2.99Å; M63-A394 PolarHBondContact O-N 3.48Å; P65-A394 HydrophobicContact CG-CB 3.93Å; V381-A394 CarbonylContact O-C 3.6Å; V381-A394 WeakPolarHBondContact O-CA 3.42Å; F382-A394 HydrophobicContact CD1-CB 3.82Å; F382-A394 HydrophobicContact CE1-CB 3.79Å; I391-A394 HydrophobicContact CG2-CB 4.27Å
395	G	94.4	Very high	91.5	Very high	1 Å²	1	29.4 Å²	29.4	1%	0.01	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-166.8	166.6	177.9	0	0	0	0	0	115.1	I61 L380 V381	I61-G395 CarbonylContact O-C 3.57Å; I61-G395 WeakPolarHBondContact O-CA 3.39Å; L380-G395 CarbonylContact C-O 3.48Å; L380-G395 VanDerWaalsContact CA-O 3.24Å; L380-G395 WeakPolarHBondContact CA-O 3.35Å; V381-G395 PolarHBondContact N-O 3.18Å; V381-G395 PolarHBondContact O-N 3.45Å
396	K	95.8	Very high	91.4	Very high	21 Å²	21	30.9 Å²	30.9	9%	0.091	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	122.5	169.6	175	169.6	59.8	-169.7	0	108.7	Y48 N52 N60 I61 M269 E273 L380	Y48-K396 HydrophobicContact CE2-CB 4.36Å; N52-K396 PolarHBondContact OD1-NZ 2.94Å; N60-K396 VanDerWaalsContact CA-O 3.31Å; N60-K396 WeakPolarHBondContact CA-O 3.35Å; I61-K396 HydrophobicContact CB-CB 4.2Å; I61-K396 PolarHBondContact N-O 3.14Å; I61-K396 PolarHBondContact O-N 3.15Å; M269-K396 HydrophobicContact CE-CD 4.2Å; M269-K396 HydrophobicContact CE-CG 4.34Å; M269-K396 HydrophobicContact CG-CD 4.27Å; M269-K396 HydrophobicContact SD-CD 4.07Å; E273-K396 VanDerWaalsContact OE1-CD 3.25Å; E273-K396 WeakPolarHBondContact OE1-CD 3.36Å; E273-K396 WeakPolarHBondContact OE1-CE 3.35Å; E273-K396 IonicContact OE1-NZ 2.82Å; E273-K396 PolarHBondContact OE1-NZ 2.79Å; E273-K396 IonicContact OE2-NZ 2.58Å; L380-K396 HydrophobicContact CD2-CB 3.67Å; L380-K396 HydrophobicContact CD2-CD 4.31Å; L380-K396 HydrophobicContact CD2-CG 3.97Å
397	I	95.7	Very high	91.3	Very high	1 Å²	1	28.8 Å²	28.8	1%	0.005	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	97.2	173	-49.8	-54.4	0	0	0	107.5	F300 I302 P378 F379 V381 P400	F300-I397 HydrophobicContact CD2-CD1 4.16Å; F300-I397 HydrophobicContact CE2-CD1 3.95Å; F300-I397 HydrophobicContact CE2-CG1 4.15Å; F300-I397 HydrophobicContact CZ-CG1 4.27Å; I302-I397 HydrophobicContact CD1-CD1 3.62Å; I302-I397 HydrophobicContact CG2-CD1 4.44Å; P378-I397 VanDerWaalsContact CA-O 3.23Å; P378-I397 WeakPolarHBondContact CA-O 2.95Å; F379-I397 HydrophobicContact CD1-CB 4.3Å; F379-I397 HydrophobicContact CD2-CB 4.33Å; F379-I397 HydrophobicContact CD2-CG1 4.28Å; F379-I397 HydrophobicContact CE1-CB 3.83Å; F379-I397 HydrophobicContact CE1-CG1 4.41Å; F379-I397 HydrophobicContact CE1-CG2 3.95Å; F379-I397 HydrophobicContact CE2-CB 3.87Å; F379-I397 HydrophobicContact CE2-CG1 3.59Å; F379-I397 HydrophobicContact CZ-CB 3.6Å; F379-I397 HydrophobicContact CZ-CG1 3.67Å; F379-I397 HydrophobicContact CZ-CG2 3.86Å; F379-I397 PolarHBondContact N-O 3.08Å; F379-I397 PolarHBondContact O-N 3.38Å; V381-I397 HydrophobicContact CG1-CD1 4.3Å; V381-I397 HydrophobicContact CG1-CG1 4.21Å; I397-P400 HydrophobicContact CG2-CG 4.05Å
398	S	95.4	Very high	91.3	Very high	5 Å²	5	29.3 Å²	29.3	4%	0.035	17%	0.172	C	C	.	.	S	Bend	trans	-87.3	-32.6	176.4	-57.8	0	0	0	0	111.9	G58 K59 N60 F217	G58-S398 VanDerWaalsContact C-CB 3.49Å; G58-S398 VanDerWaalsContact O-CB 3.23Å; G58-S398 WeakPolarHBondContact O-CB 3.4Å; K59-S398 WeakPolarHBondContact O-CB 3.48Å; K59-S398 PolarHBondContact O-OG 3.42Å; N60-S398 WeakPolarHBondContact OD1-CA 3.45Å; N60-S398 PolarHBondContact OD1-N 3.09Å; F217-S398 WeakPolarHBondContact CE1-O 3.49Å
399	N	94.3	Very high	91.3	Very high	28 Å²	28	31.3 Å²	31.3	15%	0.15	18%	0.183	C	C	.	.			trans	-145.8	109.7	176.6	179.7	-1	0	0	0	110.3	N60 V219 V225 T401 A402	N60-N399 PolarHBondContact ND2-O 2.87Å; N60-N399 PolarHBondContact OD1-N 3.41Å; N60-N399 PolarHBondContact OD1-O 3.14Å; V219-N399 HydrophobicContact CG1-CB 4.38Å; V219-N399 HydrophobicContact CG2-CB 3.95Å; V225-N399 WeakPolarHBondContact CG2-OD1 3.33Å; N399-T401 PolarHBondContact ND2-OG1 3.02Å; N399-T401 PolarHBondContact O-N 3.21Å; N399-T401 PolarHBondContact OD1-N 2.96Å; N399-T401 PolarHBondContact OD1-OG1 3.23Å; N399-A402 HydrophobicContact CB-CB 4.09Å; N399-A402 PolarHBondContact O-N 3.23Å
400	P	93.2	Very high	91.2	Very high	9 Å²	9	22.1 Å²	22.1	6%	0.058	15%	0.153	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.4	-18.8	179.4	-26	36.1	0	0	0	115.6	F217 V227 P298 F300 I397	F217-P400 HydrophobicContact CD1-CG 4.16Å; F217-P400 HydrophobicContact CD2-CG 3.51Å; F217-P400 HydrophobicContact CE1-CG 4.19Å; F217-P400 HydrophobicContact CE2-CG 3.52Å; F217-P400 HydrophobicContact CG-CG 3.84Å; F217-P400 HydrophobicContact CZ-CG 3.86Å; V227-P400 HydrophobicContact CG1-CB 3.91Å; V227-P400 HydrophobicContact CG1-CG 4.1Å; P298-P400 HydrophobicContact CB-CB 4.05Å; P298-P400 HydrophobicContact CB-CG 3.96Å; P298-P400 HydrophobicContact CG-CB 4.38Å; P298-P400 HydrophobicContact CG-CG 3.9Å; F300-P400 HydrophobicContact CB-CB 4.06Å; I397-P400 HydrophobicContact CG2-CG 4.05Å
401	T	91.2	Very high	91	Very high	80 Å²	80	23.5 Å²	23.5	49%	0.491	16%	0.163	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.3	-8.2	-179.7	68.6	0	0	0	0	113.3	V225 V227 N399	V225-T401 HydrophobicContact CB-CG2 4.38Å; V225-T401 HydrophobicContact CG2-CG2 4.15Å; V227-T401 HydrophobicContact CG1-CG2 3.89Å; N399-T401 PolarHBondContact ND2-OG1 3.02Å; N399-T401 PolarHBondContact O-N 3.21Å; N399-T401 PolarHBondContact OD1-N 2.96Å; N399-T401 PolarHBondContact OD1-OG1 3.23Å
402	A	82.8	Confident	90.5	Very high	35 Å²	35	24.3 Å²	24.3	29%	0.289	17%	0.17	S	C	.	.			trans	-84.7	114.7	173.9	0	0	0	0	0	109.5	N60 N399	N60-A402 PolarHBondContact ND2-O 2.82Å; N60-A402 VanDerWaalsContact ND2-O 3.1Å; N399-A402 HydrophobicContact CB-CB 4.09Å; N399-A402 PolarHBondContact O-N 3.23Å
403	A	58.1	Low	90.2	Very high	109 Å²	109	26.5 Å²	26.5	90%	0.901	19%	0.186	S	C	*	.			trans	-65.3	0	178.3	0	0	0	0	0	112.7	S303	S303-A403 PolarHBondContact N-OXT 3.46Å

Retrieved 403 of 403 residues in 768.1 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).