A0A087YN41_POEFO Loading...

protein disulfide-isomerase

Probable disulfide isomerase, which participates in the folding of proteins containing disulfide bonds. May act as a dithiol oxidase. Acts as a regulator of endoplasmic reticulum-mitochondria contact sites via its ability to regulate redox signals.

AlphaFold DB , UniProt , Accession A0A087YN41, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 470 aa.

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(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	M	41.1	Very low	48.1	Very low	249 Å²	249	132.5 Å²	132.5	100%	1.227	70%	0.703	S	S	*	*				0	82	0	-155.6	172.5	-179	0	0	107.5
2	R	48.3	Very low	48.7	Very low	246 Å²	246	126.8 Å²	126.8	93%	0.928	68%	0.682	S	S	*	*			trans	-161.1	59.9	-169.7	-144.4	-172.9	-139.3	176.5	5.8	112.8
3	I	42.4	Very low	49	Very low	149 Å²	149	122.7 Å²	122.7	76%	0.764	67%	0.668	S	S	*	*			trans	-155.7	115.3	163.8	-36.3	178.3	0	0	0	102.6
4	D	46.2	Very low	49.4	Very low	110 Å²	110	121.9 Å²	121.9	59%	0.588	66%	0.661	S	S	*	*				-177.2	74.7	78.5	-91.3	-55.8	0	0	0	110.1
5	H	47.9	Very low	49.7	Very low	185 Å²	185	119.9 Å²	119.9	86%	0.856	65%	0.65	S	S	*	*	S	Bend	trans	-93.7	-9.8	170.6	-99.9	-76.1	0	0	0	113.4
6	S	47.9	Very low	50.3	Low	94 Å²	94	122 Å²	122	66%	0.657	65%	0.651	S	S	*	*	H	α-helix	trans	-82.8	-37.4	-178.8	-163.9	0	0	0	0	112.6	S8 S10	S6-S8 PolarHBondContact O-N 2.88Å; S6-S10 PolarHBondContact O-OG 3.24Å
7	V	51.5	Low	50.4	Low	78 Å²	78	120.4 Å²	120.4	47%	0.473	64%	0.642	S	S	.	*	H	α-helix	trans	-71.3	-34.9	-173.4	-175.4	0	0	0	0	112.7	I11	V7-I11 HydrophobicContact CG1-CD1 3.84Å; V7-I11 WeakPolarHBondContact O-CG1 3.43Å; V7-I11 PolarHBondContact O-N 3.45Å
8	S	48.9	Very low	50.5	Low	85 Å²	85	119.6 Å²	119.6	59%	0.594	64%	0.637	S	S	*	*	H	α-helix	trans	-68.6	-36.4	-179.5	-174.7	0	0	0	0	113.1	S6 S12	S6-S8 PolarHBondContact O-N 2.88Å; S8-S12 PolarHBondContact O-N 3.48Å
9	S	49.9	Very low	50.5	Low	85 Å²	85	121.2 Å²	121.2	59%	0.594	64%	0.638	S	S	*	*	H	α-helix	trans	-69.3	-40.8	178.8	-168.9	0	0	0	0	111.9	S12 C13	S9-S12 PolarHBondContact O-N 2.66Å; S9-C13 WeakPolarHBondContact O-CB 3.25Å; S9-C13 PolarHBondContact O-N 3.21Å; S9-C13 VanDerWaalsContact O-N 3.08Å
10	S	50.7	Low	50.6	Low	78 Å²	78	117.6 Å²	117.6	55%	0.545	63%	0.626	S	S	.	*	H	α-helix	trans	-67	-37.7	178.4	-61.9	0	0	0	0	113.2	S6 L14	S6-S10 PolarHBondContact O-OG 3.24Å; S10-L14 WeakPolarHBondContact O-CB 3.01Å; S10-L14 PolarHBondContact O-N 2.97Å
11	I	54.4	Low	50.5	Low	98 Å²	98	117.9 Å²	117.9	50%	0.503	63%	0.626	S	S	.	*	H	α-helix	trans	-70	-40.4	178.1	-66.8	168	0	0	0	111.2	V7 L14 L15	V7-I11 HydrophobicContact CG1-CD1 3.84Å; V7-I11 WeakPolarHBondContact O-CG1 3.43Å; V7-I11 PolarHBondContact O-N 3.45Å; I11-L14 PolarHBondContact O-N 2.81Å; I11-L15 HydrophobicContact CG2-CD1 3.88Å; I11-L15 WeakPolarHBondContact O-CB 3.27Å; I11-L15 PolarHBondContact O-N 3.05Å
12	S	55.5	Low	51.1	Low	64 Å²	64	108.8 Å²	108.8	45%	0.448	59%	0.59	S	S	.	*	H	α-helix	trans	-63	-41.9	176	-170.3	0	0	0	0	111.9	S8 S9 L15 F16	S8-S12 PolarHBondContact O-N 3.48Å; S9-S12 PolarHBondContact O-N 2.66Å; S12-L15 PolarHBondContact O-N 3.22Å; S12-F16 PolarHBondContact O-N 3.28Å
13	C	51.9	Low	51.3	Low	74 Å²	74	105.2 Å²	105.2	50%	0.5	58%	0.581	S	S	.	*	H	α-helix	trans	-64.8	-41.4	176	-161.2	0	0	0	0	112.1	S9 F16 L17	S9-C13 WeakPolarHBondContact O-CB 3.25Å; S9-C13 PolarHBondContact O-N 3.21Å; S9-C13 VanDerWaalsContact O-N 3.08Å; C13-F16 PolarHBondContact O-N 3.08Å; C13-L17 WeakPolarHBondContact O-CG 3.37Å; C13-L17 PolarHBondContact O-N 3.43Å
14	L	54.5	Low	51.9	Low	111 Å²	111	102.5 Å²	102.5	58%	0.581	57%	0.572	S	S	*	*	H	α-helix	trans	-65.5	-40.4	177.4	-152.5	82.4	0	0	0	112.3	S10 I11 L17 L18	S10-L14 WeakPolarHBondContact O-CB 3.01Å; S10-L14 PolarHBondContact O-N 2.97Å; I11-L14 PolarHBondContact O-N 2.81Å; L14-L17 PolarHBondContact O-N 3.39Å; L14-L18 HydrophobicContact CG-CD1 4.5Å; L14-L18 WeakPolarHBondContact O-CB 3.35Å; L14-L18 WeakPolarHBondContact O-CD1 3.48Å; L14-L18 WeakPolarHBondContact O-CG 3.45Å; L14-L18 PolarHBondContact O-N 2.71Å
15	L	54.4	Low	52.4	Low	93 Å²	93	106.2 Å²	106.2	49%	0.487	58%	0.577	S	S	.	*	H	α-helix	trans	-65.4	-36.9	174.5	-91.2	152.3	0	0	0	112.5	I11 S12 K19	I11-L15 HydrophobicContact CG2-CD1 3.88Å; I11-L15 WeakPolarHBondContact O-CB 3.27Å; I11-L15 PolarHBondContact O-N 3.05Å; S12-L15 PolarHBondContact O-N 3.22Å; L15-K19 WeakPolarHBondContact O-CB 3.31Å; L15-K19 WeakPolarHBondContact O-CG 3.44Å; L15-K19 PolarHBondContact O-N 2.63Å
16	F	59	Low	52.8	Low	153 Å²	153	100.1 Å²	100.1	67%	0.671	56%	0.559	S	S	*	*	H	α-helix	trans	-65.9	-44.1	173.2	-104.6	-87.1	0	0	0	111.9	S12 C13 K19 A20	S12-F16 PolarHBondContact O-N 3.28Å; C13-F16 PolarHBondContact O-N 3.08Å; F16-K19 PolarHBondContact O-N 2.68Å; F16-A20 VanDerWaalsContact O-CB 3.31Å; F16-A20 WeakPolarHBondContact O-CB 3.38Å; F16-A20 PolarHBondContact O-N 2.71Å
17	L	52.4	Low	53.5	Low	94 Å²	94	99.7 Å²	99.7	49%	0.492	56%	0.556	S	S	.	*	H	α-helix	trans	-64.3	-41.6	176.6	-73.2	167.7	0	0	0	111.9	C13 L14 A20 M21	C13-L17 WeakPolarHBondContact O-CG 3.37Å; C13-L17 PolarHBondContact O-N 3.43Å; L14-L17 PolarHBondContact O-N 3.39Å; L17-A20 PolarHBondContact O-N 2.84Å; L17-M21 WeakPolarHBondContact O-CB 3.48Å; L17-M21 VanDerWaalsContact O-CG 3.3Å; L17-M21 WeakPolarHBondContact O-CG 3.38Å; L17-M21 PolarHBondContact O-N 3.36Å
18	L	51.7	Low	54.1	Low	106 Å²	106	100 Å²	100	56%	0.555	56%	0.558	S	S	*	*	H	α-helix	trans	-64.1	-42.2	175.6	-76.8	162.6	0	0	0	112.2	L14 M21 A22	L14-L18 HydrophobicContact CG-CD1 4.5Å; L14-L18 WeakPolarHBondContact O-CB 3.35Å; L14-L18 WeakPolarHBondContact O-CD1 3.48Å; L14-L18 WeakPolarHBondContact O-CG 3.45Å; L14-L18 PolarHBondContact O-N 2.71Å; L18-M21 PolarHBondContact O-N 2.91Å; L18-A22 WeakPolarHBondContact O-CB 3.15Å; L18-A22 PolarHBondContact O-N 3.06Å
19	K	50.6	Low	54.8	Low	150 Å²	150	100.9 Å²	100.9	65%	0.652	56%	0.555	S	S	*	*	H	α-helix	trans	-66.3	-39.7	174.5	-78	179.3	176.9	-179.9	0	112.3	L15 F16 A22 K23	L15-K19 WeakPolarHBondContact O-CB 3.31Å; L15-K19 WeakPolarHBondContact O-CG 3.44Å; L15-K19 PolarHBondContact O-N 2.63Å; F16-K19 PolarHBondContact O-N 2.68Å; K19-A22 PolarHBondContact O-N 2.93Å; K19-K23 PolarHBondContact O-N 3.45Å
20	A	52.4	Low	55.3	Low	50 Å²	50	101 Å²	101	41%	0.413	56%	0.555	S	S	.	*	H	α-helix	trans	-64.8	-45.2	175.7	0	0	0	0	0	111.4	F16 L17 A22 K23 V24	F16-A20 VanDerWaalsContact O-CB 3.31Å; F16-A20 WeakPolarHBondContact O-CB 3.38Å; F16-A20 PolarHBondContact O-N 2.71Å; L17-A20 PolarHBondContact O-N 2.84Å; A20-A22 VanDerWaalsContact C-N 3.34Å; A20-A22 PolarHBondContact O-N 3.22Å; A20-K23 PolarHBondContact O-N 2.91Å; A20-V24 VanDerWaalsContact O-CG2 3.31Å; A20-V24 WeakPolarHBondContact O-CG2 3.24Å; A20-V24 PolarHBondContact O-N 3.3Å
21	M	48.7	Very low	55.8	Low	123 Å²	123	99.2 Å²	99.2	61%	0.606	55%	0.549	S	S	*	.	H	α-helix	trans	-63.6	-36.5	175.5	-73.5	-172.2	-179.9	0	0	112.7	L17 L18 R25	L17-M21 WeakPolarHBondContact O-CB 3.48Å; L17-M21 VanDerWaalsContact O-CG 3.3Å; L17-M21 WeakPolarHBondContact O-CG 3.38Å; L17-M21 PolarHBondContact O-N 3.36Å; L18-M21 PolarHBondContact O-N 2.91Å; M21-R25 WeakPolarHBondContact O-CB 3.48Å; M21-R25 WeakPolarHBondContact O-CG 3.33Å; M21-R25 PolarHBondContact O-N 3.48Å
22	A	53.8	Low	56.1	Low	58 Å²	58	97.9 Å²	97.9	48%	0.479	55%	0.545	S	S	.	.	H	α-helix	trans	-66.1	-39.9	174	0	0	0	0	0	112.4	L18 K19 A20 R25 A26	L18-A22 WeakPolarHBondContact O-CB 3.15Å; L18-A22 PolarHBondContact O-N 3.06Å; K19-A22 PolarHBondContact O-N 2.93Å; A20-A22 VanDerWaalsContact C-N 3.34Å; A20-A22 PolarHBondContact O-N 3.22Å; A22-R25 PolarHBondContact O-N 2.92Å; A22-A26 WeakPolarHBondContact O-CB 3.29Å; A22-A26 PolarHBondContact O-N 2.78Å
23	K	51.4	Low	56.1	Low	171 Å²	171	99.5 Å²	99.5	74%	0.743	55%	0.548	S	S	*	.	H	α-helix	trans	-67.2	-39.9	176.2	-131.6	176.7	-175	-177.5	0	112.1	K19 A20 S27	K19-K23 PolarHBondContact O-N 3.45Å; A20-K23 PolarHBondContact O-N 2.91Å; K23-S27 WeakPolarHBondContact O-CB 3.49Å; K23-S27 PolarHBondContact O-N 3.3Å
24	V	55.7	Low	56.4	Low	93 Å²	93	98.7 Å²	98.7	56%	0.564	55%	0.547	S	S	*	.	H	α-helix	trans	-65.5	-44.2	174.3	172.6	0	0	0	0	110.5	A20 A26 S27 V28	A20-V24 VanDerWaalsContact O-CG2 3.31Å; A20-V24 WeakPolarHBondContact O-CG2 3.24Å; A20-V24 PolarHBondContact O-N 3.3Å; V24-A26 PolarHBondContact O-N 2.82Å; V24-S27 PolarHBondContact O-N 3.21Å; V24-V28 HydrophobicContact CG1-CG2 4.24Å; V24-V28 WeakPolarHBondContact O-CB 3.42Å; V24-V28 WeakPolarHBondContact O-CG2 3.49Å; V24-V28 PolarHBondContact O-N 2.96Å
25	R	56.3	Low	56.5	Low	187 Å²	187	96.2 Å²	96.2	71%	0.706	54%	0.543	S	S	*	.	H	α-helix	trans	-61.3	-44.1	175.5	-79	179.6	171.5	-172.6	-2.5	112.6	M21 A22 V28 I29	M21-R25 WeakPolarHBondContact O-CB 3.48Å; M21-R25 WeakPolarHBondContact O-CG 3.33Å; M21-R25 PolarHBondContact O-N 3.48Å; A22-R25 PolarHBondContact O-N 2.92Å; R25-V28 PolarHBondContact O-N 3.13Å; R25-I29 WeakPolarHBondContact O-CB 3.24Å; R25-I29 WeakPolarHBondContact O-CD1 3.45Å; R25-I29 WeakPolarHBondContact O-CG1 3.36Å; R25-I29 PolarHBondContact O-N 3.26Å
26	A	57.3	Low	56.5	Low	58 Å²	58	98.9 Å²	98.9	48%	0.479	55%	0.55	S	S	.	*	H	α-helix	trans	-64.6	-40.7	176.7	0	0	0	0	0	112.4	A22 V24 I29 C30	A22-A26 WeakPolarHBondContact O-CB 3.29Å; A22-A26 PolarHBondContact O-N 2.78Å; V24-A26 PolarHBondContact O-N 2.82Å; A26-I29 PolarHBondContact O-N 3.44Å; A26-C30 WeakPolarHBondContact O-CB 3.37Å; A26-C30 PolarHBondContact O-N 2.79Å
27	S	62.2	Low	56.2	Low	84 Å²	84	97.3 Å²	97.3	59%	0.587	55%	0.548	S	S	*	.	H	α-helix	trans	-65.4	-42.4	176	-168.8	0	0	0	0	112.3	K23 V24 C30 G31	K23-S27 WeakPolarHBondContact O-CB 3.49Å; K23-S27 PolarHBondContact O-N 3.3Å; V24-S27 PolarHBondContact O-N 3.21Å; S27-C30 PolarHBondContact O-N 3.31Å; S27-G31 PolarHBondContact O-N 2.9Å
28	V	63.6	Low	56.2	Low	85 Å²	85	95.6 Å²	95.6	52%	0.515	54%	0.544	S	S	.	.	H	α-helix	trans	-66.5	-41.4	175.5	172.8	0	0	0	0	110.8	V24 R25 G31 V32	V24-V28 HydrophobicContact CG1-CG2 4.24Å; V24-V28 WeakPolarHBondContact O-CB 3.42Å; V24-V28 WeakPolarHBondContact O-CG2 3.49Å; V24-V28 PolarHBondContact O-N 2.96Å; R25-V28 PolarHBondContact O-N 3.13Å; V28-G31 PolarHBondContact O-N 3.15Å; V28-V32 HydrophobicContact CG1-CG2 4.16Å; V28-V32 VanDerWaalsContact O-CB 3.28Å; V28-V32 WeakPolarHBondContact O-CB 3.46Å; V28-V32 WeakPolarHBondContact O-CG2 3.5Å; V28-V32 PolarHBondContact O-N 2.74Å
29	I	64.4	Low	56.3	Low	103 Å²	103	94.1 Å²	94.1	53%	0.528	54%	0.543	S	S	.	.	H	α-helix	trans	-65.4	-41.9	176.8	-68.3	162.9	0	0	0	111.1	R25 A26 V32 L33	R25-I29 WeakPolarHBondContact O-CB 3.24Å; R25-I29 WeakPolarHBondContact O-CD1 3.45Å; R25-I29 WeakPolarHBondContact O-CG1 3.36Å; R25-I29 PolarHBondContact O-N 3.26Å; A26-I29 PolarHBondContact O-N 3.44Å; I29-V32 PolarHBondContact O-N 2.82Å; I29-L33 HydrophobicContact CG2-CD1 3.85Å; I29-L33 VanDerWaalsContact O-CB 3.32Å; I29-L33 WeakPolarHBondContact O-CB 3.2Å; I29-L33 WeakPolarHBondContact O-CG 3.38Å; I29-L33 PolarHBondContact O-N 2.8Å
30	C	60.7	Low	56.5	Low	88 Å²	88	89.3 Å²	89.3	60%	0.595	53%	0.531	S	S	*	.	H	α-helix	trans	-64.4	-42	172.8	-94.2	0	0	0	0	112.4	A26 S27 L33 A34	A26-C30 WeakPolarHBondContact O-CB 3.37Å; A26-C30 PolarHBondContact O-N 2.79Å; S27-C30 PolarHBondContact O-N 3.31Å; C30-L33 PolarHBondContact O-N 2.86Å; C30-A34 VanDerWaalsContact O-CB 3.24Å; C30-A34 WeakPolarHBondContact O-CB 3.2Å; C30-A34 PolarHBondContact O-N 2.87Å
31	G	60.4	Low	56.6	Low	41 Å²	41	89.8 Å²	89.8	42%	0.423	53%	0.529	S	S	.	.	H	α-helix	trans	-65.3	-40.1	177.1	0	0	0	0	0	112.5	S27 V28 A35	S27-G31 PolarHBondContact O-N 2.9Å; V28-G31 PolarHBondContact O-N 3.15Å; G31-A35 VanDerWaalsContact O-CB 3.28Å; G31-A35 WeakPolarHBondContact O-CB 3.35Å; G31-A35 PolarHBondContact O-N 3.4Å
32	V	61.5	Low	57	Low	69 Å²	69	88.6 Å²	88.6	42%	0.418	52%	0.52	S	S	.	.	H	α-helix	trans	-67.1	-46.4	174.6	171.3	0	0	0	0	110.3	V28 I29 A34 A35 F36	V28-V32 HydrophobicContact CG1-CG2 4.16Å; V28-V32 VanDerWaalsContact O-CB 3.28Å; V28-V32 WeakPolarHBondContact O-CB 3.46Å; V28-V32 WeakPolarHBondContact O-CG2 3.5Å; V28-V32 PolarHBondContact O-N 2.74Å; I29-V32 PolarHBondContact O-N 2.82Å; V32-A34 PolarHBondContact O-N 2.86Å; V32-A35 PolarHBondContact O-N 3.01Å; V32-F36 HydrophobicContact CG1-CD2 3.5Å; V32-F36 HydrophobicContact CG1-CE2 3.58Å; V32-F36 WeakPolarHBondContact O-CB 3.43Å; V32-F36 VanDerWaalsContact O-CD2 3.25Å; V32-F36 WeakPolarHBondContact O-CD2 3.28Å; V32-F36 PolarHBondContact O-N 2.88Å
33	L	56.2	Low	57.5	Low	98 Å²	98	89.3 Å²	89.3	51%	0.513	53%	0.526	S	S	.	.	H	α-helix	trans	-61.7	-41.2	175.2	-79.6	164.8	0	0	0	112.5	I29 C30 F36 L37	I29-L33 HydrophobicContact CG2-CD1 3.85Å; I29-L33 VanDerWaalsContact O-CB 3.32Å; I29-L33 WeakPolarHBondContact O-CB 3.2Å; I29-L33 WeakPolarHBondContact O-CG 3.38Å; I29-L33 PolarHBondContact O-N 2.8Å; C30-L33 PolarHBondContact O-N 2.86Å; L33-F36 PolarHBondContact O-N 2.89Å; L33-L37 VanDerWaalsContact O-CB 3.29Å; L33-L37 WeakPolarHBondContact O-CB 3.49Å; L33-L37 VanDerWaalsContact O-CG 3.23Å; L33-L37 WeakPolarHBondContact O-CG 3.45Å; L33-L37 PolarHBondContact O-N 3.06Å
34	A	57.5	Low	59.1	Low	57 Å²	57	85 Å²	85	47%	0.471	51%	0.507	S	S	.	.	H	α-helix	trans	-65.6	-39.7	175.4	0	0	0	0	0	111.8	C30 V32 S38	C30-A34 VanDerWaalsContact O-CB 3.24Å; C30-A34 WeakPolarHBondContact O-CB 3.2Å; C30-A34 PolarHBondContact O-N 2.87Å; V32-A34 PolarHBondContact O-N 2.86Å; A34-S38 WeakPolarHBondContact O-CB 3.04Å; A34-S38 PolarHBondContact O-N 3.3Å
35	A	56.9	Low	61	Low	60 Å²	60	81 Å²	81	50%	0.496	48%	0.483	S	S	.	.	H	α-helix	trans	-67.6	-39.7	174.6	0	0	0	0	0	112.4	G31 V32 S39	G31-A35 VanDerWaalsContact O-CB 3.28Å; G31-A35 WeakPolarHBondContact O-CB 3.35Å; G31-A35 PolarHBondContact O-N 3.4Å; V32-A35 PolarHBondContact O-N 3.01Å; A35-S39 WeakPolarHBondContact O-CB 3.24Å; A35-S39 PolarHBondContact O-N 3.06Å
36	F	54	Low	62.8	Low	148 Å²	148	75.6 Å²	75.6	65%	0.649	47%	0.466	S	S	*	.	H	α-helix	trans	-68.2	-41.3	175.3	-91.6	-77.8	0	0	0	112.2	V32 L33 S39 A40	V32-F36 HydrophobicContact CG1-CD2 3.5Å; V32-F36 HydrophobicContact CG1-CE2 3.58Å; V32-F36 WeakPolarHBondContact O-CB 3.43Å; V32-F36 VanDerWaalsContact O-CD2 3.25Å; V32-F36 WeakPolarHBondContact O-CD2 3.28Å; V32-F36 PolarHBondContact O-N 2.88Å; L33-F36 PolarHBondContact O-N 2.89Å; F36-S39 PolarHBondContact O-N 2.83Å; F36-A40 WeakPolarHBondContact O-CB 3.45Å; F36-A40 PolarHBondContact O-N 3.22Å
37	L	51.6	Low	64.6	Low	120 Å²	120	78.4 Å²	78.4	63%	0.628	47%	0.473	S	S	*	.	H	α-helix	trans	-66.4	-40.9	175.1	-74.8	167.3	0	0	0	111.4	L33 A40 V41	L33-L37 VanDerWaalsContact O-CB 3.29Å; L33-L37 WeakPolarHBondContact O-CB 3.49Å; L33-L37 VanDerWaalsContact O-CG 3.23Å; L33-L37 WeakPolarHBondContact O-CG 3.45Å; L33-L37 PolarHBondContact O-N 3.06Å; L37-A40 PolarHBondContact O-N 2.87Å; L37-V41 WeakPolarHBondContact O-CG2 3.05Å; L37-V41 PolarHBondContact O-N 2.83Å
38	S	52.6	Low	66.1	Low	59 Å²	59	75.1 Å²	75.1	41%	0.413	45%	0.449	S	S	.	.	H	α-helix	trans	-60.2	-51.5	173.8	-174.4	0	0	0	0	110.7	A34 A40 V41 F42	A34-S38 WeakPolarHBondContact O-CB 3.04Å; A34-S38 PolarHBondContact O-N 3.3Å; S38-A40 PolarHBondContact O-N 2.81Å; S38-V41 PolarHBondContact O-N 2.96Å; S38-F42 WeakPolarHBondContact O-CD2 3.38Å; S38-F42 PolarHBondContact O-N 2.87Å; S38-F42 VanDerWaalsContact O-N 3.1Å; S38-F42 VanDerWaalsContact OG-CE2 3.31Å; S38-F42 WeakPolarHBondContact OG-CE2 3.45Å
39	S	53.7	Low	67.5	Low	75 Å²	75	74 Å²	74	52%	0.524	44%	0.44	S	S	.	.	H	α-helix	trans	-58.9	-32.8	176.5	-175.6	0	0	0	0	113.4	A35 F36 A43	A35-S39 WeakPolarHBondContact O-CB 3.24Å; A35-S39 PolarHBondContact O-N 3.06Å; F36-S39 PolarHBondContact O-N 2.83Å; S39-A43 PolarHBondContact O-N 3.27Å; S39-A43 VanDerWaalsContact O-N 3.15Å
40	A	55.4	Low	68.6	Low	48 Å²	48	75.8 Å²	75.8	40%	0.397	45%	0.446	S	S	.	.	H	α-helix	trans	-71.4	-31	177.6	0	0	0	0	0	112.7	F36 L37 S38 F44	F36-A40 WeakPolarHBondContact O-CB 3.45Å; F36-A40 PolarHBondContact O-N 3.22Å; L37-A40 PolarHBondContact O-N 2.87Å; S38-A40 PolarHBondContact O-N 2.81Å; A40-F44 WeakPolarHBondContact O-CD2 3.25Å; A40-F44 WeakPolarHBondContact O-CE2 3.28Å
41	V	54.3	Low	69.8	Low	61 Å²	61	75.1 Å²	75.1	37%	0.37	44%	0.44	S	S	.	.	H	α-helix	trans	-74.9	-39.3	174.3	176.6	0	0	0	0	110.9	L37 S38 A43 F44	L37-V41 WeakPolarHBondContact O-CG2 3.05Å; L37-V41 PolarHBondContact O-N 2.83Å; S38-V41 PolarHBondContact O-N 2.96Å; V41-A43 PolarHBondContact O-N 3.49Å; V41-F44 PolarHBondContact O-N 3.01Å
42	F	57.8	Low	71.2	Confident	97 Å²	97	73.4 Å²	73.4	43%	0.425	42%	0.42	S	S	.	.	H	α-helix	trans	-61.3	-29.4	172.7	-75.2	-73.1	0	0	0	112.8	S38 F44 V45 Y81	S38-F42 WeakPolarHBondContact O-CD2 3.38Å; S38-F42 PolarHBondContact O-N 2.87Å; S38-F42 VanDerWaalsContact O-N 3.1Å; S38-F42 VanDerWaalsContact OG-CE2 3.31Å; S38-F42 WeakPolarHBondContact OG-CE2 3.45Å; F42-F44 PolarHBondContact O-N 3.39Å; F42-V45 PolarHBondContact O-N 3.28Å; F42-Y81 AromaticContact CD1-CD1 3.81Å; F42-Y81 HydrophobicContact CD1-CD1 3.81Å; F42-Y81 HydrophobicContact CD1-CD2 4.24Å; F42-Y81 AromaticContact CD1-CE1 3.34Å; F42-Y81 HydrophobicContact CD1-CE1 3.34Å; F42-Y81 AromaticContact CD1-CE2 3.78Å; F42-Y81 HydrophobicContact CD1-CE2 3.78Å; F42-Y81 HydrophobicContact CD1-CG 4.26Å; F42-Y81 AromaticContact CD1-CZ 3.33Å; F42-Y81 HydrophobicContact CE1-CD1 4.32Å; F42-Y81 AromaticContact CE1-CD2 3.9Å; F42-Y81 HydrophobicContact CE1-CD2 3.9Å; F42-Y81 AromaticContact CE1-CE1 3.88Å; F42-Y81 HydrophobicContact CE1-CE1 3.88Å; F42-Y81 AromaticContact CE1-CE2 3.38Å; F42-Y81 HydrophobicContact CE1-CE2 3.38Å; F42-Y81 HydrophobicContact CE1-CG 4.34Å; F42-Y81 AromaticContact CE1-CZ 3.39Å; F42-Y81 HydrophobicContact CG-CE1 4.37Å; F42-Y81 HydrophobicContact CZ-CE2 4.47Å
43	A	63.5	Low	72.3	Confident	73 Å²	73	74.3 Å²	74.3	60%	0.603	42%	0.419	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.7	-5.7	-176.9	0	0	0	0	0	115.2	S39 V41	S39-A43 PolarHBondContact O-N 3.27Å; S39-A43 VanDerWaalsContact O-N 3.15Å; V41-A43 PolarHBondContact O-N 3.49Å
44	F	85.4	Confident	73.5	Confident	80 Å²	80	76.2 Å²	76.2	35%	0.351	43%	0.429	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.3	-1.1	-179.9	-55.4	-56	0	0	0	114.4	A40 V41 F42 A85 K88	A40-F44 WeakPolarHBondContact O-CD2 3.25Å; A40-F44 WeakPolarHBondContact O-CE2 3.28Å; V41-F44 PolarHBondContact O-N 3.01Å; F42-F44 PolarHBondContact O-N 3.39Å; F44-A85 HydrophobicContact CD2-CB 3.99Å; F44-K88 HydrophobicContact CD1-CB 3.99Å; F44-K88 HydrophobicContact CD1-CD 4.47Å; F44-K88 HydrophobicContact CD1-CG 3.66Å; F44-K88 HydrophobicContact CE1-CB 4.43Å; F44-K88 HydrophobicContact CE1-CG 3.76Å; F44-K88 HydrophobicContact CG-CB 4.31Å; F44-K88 HydrophobicContact CG-CG 4.46Å
45	V	94.9	Very high	74.7	Confident	10 Å²	10	77.4 Å²	77.4	6%	0.061	43%	0.431	C	S	.	.	S	Bend	trans	-120.6	124.3	172.3	177.5	0	0	0	0	108.3	F42 Y81 V96 K98	F42-V45 PolarHBondContact O-N 3.28Å; V45-Y81 HydrophobicContact CB-CD1 3.73Å; V45-Y81 HydrophobicContact CB-CE1 3.74Å; V45-Y81 HydrophobicContact CG1-CD1 4.48Å; V45-Y81 HydrophobicContact CG1-CE1 4.18Å; V45-Y81 HydrophobicContact CG2-CD1 3.53Å; V45-Y81 HydrophobicContact CG2-CE1 4.06Å; V45-Y81 HydrophobicContact CG2-CG 4.35Å; V45-V96 WeakPolarHBondContact CA-O 3.23Å; V45-V96 HydrophobicContact CG1-CG1 4.45Å; V45-V96 HydrophobicContact CG2-CB 4.45Å; V45-V96 HydrophobicContact CG2-CG1 3.98Å; V45-K98 HydrophobicContact CG1-CB 4.27Å; V45-K98 HydrophobicContact CG1-CD 4.21Å; V45-K98 HydrophobicContact CG1-CG 4.06Å
46	E	94.9	Very high	76.2	Confident	74 Å²	74	75.7 Å²	75.7	35%	0.346	41%	0.412	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	130.6	-177.2	-59.8	-176.8	-134.2	0	0	111.1	L48 W61 R95 V96 G97 K98	E46-L48 HydrophobicContact CB-CD2 4.21Å; E46-L48 PolarHBondContact O-N 2.88Å; E46-W61 HydrophobicContact CB-CH2 4.37Å; E46-W61 HydrophobicContact CB-CZ3 4.2Å; E46-W61 HydrophobicContact CG-CH2 4.49Å; E46-W61 HydrophobicContact CG-CZ3 4.46Å; E46-W61 WeakPolarHBondContact OE2-CH2 3.37Å; E46-R95 IonicContact OE1-CZ 3.79Å; E46-R95 IonicContact OE1-NE 2.76Å; E46-R95 PolarHBondContact OE1-NE 2.94Å; E46-R95 IonicContact OE1-NH2 3.11Å; E46-R95 PolarHBondContact OE1-NH2 2.93Å; E46-R95 IonicContact OE2-CZ 3.08Å; E46-R95 IonicContact OE2-NH2 3.05Å; E46-R95 PolarHBondContact OE2-NH2 3.23Å; E46-V96 PolarHBondContact N-O 2.79Å; E46-G97 CarbonylContact O-C 3.58Å; E46-G97 WeakPolarHBondContact O-CA 3.46Å; E46-K98 PolarHBondContact O-N 3.36Å
47	D	94.8	Very high	77.5	Confident	116 Å²	116	71.4 Å²	71.4	62%	0.62	40%	0.404	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-72.9	113.5	167.6	-75.9	-74.4	0	0	0	108.9	K98	D47-K98 WeakPolarHBondContact OD1-CE 3.47Å; D47-K98 IonicContact OD1-NZ 2.93Å
48	L	94.9	Very high	79.2	Confident	15 Å²	15	73.4 Å²	73.4	8%	0.079	42%	0.415	C	S	.	.			trans	-92.5	142.5	-178.1	-55.2	-179.2	0	0	0	110.8	E46 F52 W61 V63 K98 M99	E46-L48 HydrophobicContact CB-CD2 4.21Å; E46-L48 PolarHBondContact O-N 2.88Å; L48-F52 HydrophobicContact CB-CB 4.26Å; L48-F52 HydrophobicContact CB-CG 4.26Å; L48-F52 HydrophobicContact CD1-CD1 4.02Å; L48-F52 HydrophobicContact CD1-CD2 3.78Å; L48-F52 HydrophobicContact CD1-CE1 3.96Å; L48-F52 HydrophobicContact CD1-CE2 3.71Å; L48-F52 HydrophobicContact CD1-CG 3.93Å; L48-F52 HydrophobicContact CD1-CZ 3.8Å; L48-F52 HydrophobicContact CD2-CD2 3.7Å; L48-F52 HydrophobicContact CD2-CE2 4.08Å; L48-F52 HydrophobicContact CD2-CG 4.28Å; L48-F52 HydrophobicContact CG-CD2 4.21Å; L48-F52 HydrophobicContact CG-CG 4.39Å; L48-W61 HydrophobicContact CD2-CE3 4.44Å; L48-W61 HydrophobicContact CD2-CH2 3.82Å; L48-W61 HydrophobicContact CD2-CZ3 3.77Å; L48-V63 HydrophobicContact CD1-CB 4.46Å; L48-V63 HydrophobicContact CD1-CG1 3.81Å; L48-V63 HydrophobicContact CD1-CG2 3.81Å; L48-K98 PolarHBondContact N-O 3.37Å; L48-M99 HydrophobicContact CB-CB 4.17Å; L48-M99 HydrophobicContact CB-CG 4.38Å
49	D	92.4	Very high	81.1	Confident	63 Å²	63	73.3 Å²	73.3	34%	0.337	41%	0.41	S	S	.	.			trans	-122.2	-168.4	175.9	65.1	22.5	0	0	0	111.3	T51 F52 Y104	D49-T51 PolarHBondContact O-N 3.11Å; D49-T51 WeakPolarHBondContact OD1-CA 3.44Å; D49-T51 VanDerWaalsContact OD1-CB 3.3Å; D49-T51 WeakPolarHBondContact OD1-CB 3.46Å; D49-T51 PolarHBondContact OD1-N 2.86Å; D49-T51 PolarHBondContact OD1-OG1 2.65Å; D49-F52 WeakPolarHBondContact O-CB 3.37Å; D49-F52 PolarHBondContact O-N 2.82Å; D49-Y104 HydrophobicContact CB-CE1 4.28Å; D49-Y104 HydrophobicContact CB-CE2 4.35Å; D49-Y104 WeakPolarHBondContact CB-OH 3.43Å
50	E	86.5	Confident	83.1	Confident	140 Å²	140	71 Å²	71	65%	0.654	39%	0.392	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.3	-24.8	179	61.6	-176.2	-176.5	0	0	114.4	F52 Y104	E50-F52 PolarHBondContact O-N 2.81Å; E50-Y104 HydrophobicContact CB-CD1 4.24Å; E50-Y104 HydrophobicContact CB-CE1 4.38Å
51	T	87.3	Confident	85.1	Confident	74 Å²	74	69 Å²	69	45%	0.454	37%	0.374	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.9	-11.3	179.3	74.3	0	0	0	0	112.9	D49 K53 D54 T55	D49-T51 PolarHBondContact O-N 3.11Å; D49-T51 WeakPolarHBondContact OD1-CA 3.44Å; D49-T51 VanDerWaalsContact OD1-CB 3.3Å; D49-T51 WeakPolarHBondContact OD1-CB 3.46Å; D49-T51 PolarHBondContact OD1-N 2.86Å; D49-T51 PolarHBondContact OD1-OG1 2.65Å; T51-K53 PolarHBondContact O-N 3.43Å; T51-D54 PolarHBondContact O-N 2.82Å; T51-T55 PolarHBondContact O-N 2.83Å; T51-T55 PolarHBondContact O-OG1 3.25Å; T51-T55 VanDerWaalsContact O-OG1 3.09Å
52	F	89.3	Confident	87.2	Confident	4 Å²	4	66 Å²	66	2%	0.018	36%	0.356	C	S	.	.	H	α-helix	trans	-55.4	-34.6	177.6	176.3	-118.6	0	0	0	112.6	L48 D49 E50 D54 T55 R56 W61 V63 M107 L122	L48-F52 HydrophobicContact CB-CB 4.26Å; L48-F52 HydrophobicContact CB-CG 4.26Å; L48-F52 HydrophobicContact CD1-CD1 4.02Å; L48-F52 HydrophobicContact CD1-CD2 3.78Å; L48-F52 HydrophobicContact CD1-CE1 3.96Å; L48-F52 HydrophobicContact CD1-CE2 3.71Å; L48-F52 HydrophobicContact CD1-CG 3.93Å; L48-F52 HydrophobicContact CD1-CZ 3.8Å; L48-F52 HydrophobicContact CD2-CD2 3.7Å; L48-F52 HydrophobicContact CD2-CE2 4.08Å; L48-F52 HydrophobicContact CD2-CG 4.28Å; L48-F52 HydrophobicContact CG-CD2 4.21Å; L48-F52 HydrophobicContact CG-CG 4.39Å; D49-F52 WeakPolarHBondContact O-CB 3.37Å; D49-F52 PolarHBondContact O-N 2.82Å; E50-F52 PolarHBondContact O-N 2.81Å; F52-D54 VanDerWaalsContact C-N 3.31Å; F52-D54 PolarHBondContact O-N 3.37Å; F52-T55 WeakPolarHBondContact CA-OG1 3.36Å; F52-T55 PolarHBondContact O-N 3.29Å; F52-T55 PolarHBondContact O-OG1 3.03Å; F52-R56 HydrophobicContact CD2-CB 4.12Å; F52-R56 HydrophobicContact CE1-CB 4.35Å; F52-R56 HydrophobicContact CE2-CB 3.64Å; F52-R56 HydrophobicContact CZ-CB 3.77Å; F52-R56 VanDerWaalsContact O-CB 3.3Å; F52-R56 WeakPolarHBondContact O-CB 3.46Å; F52-R56 PolarHBondContact O-N 3.12Å; F52-W61 HydrophobicContact CD2-CZ2 4.4Å; F52-W61 HydrophobicContact CE2-CB 4.32Å; F52-W61 AromaticContact CE2-CD1 3.84Å; F52-W61 AromaticContact CE2-CD2 3.53Å; F52-W61 HydrophobicContact CE2-CD2 3.53Å; F52-W61 AromaticContact CE2-CE2 3.54Å; F52-W61 HydrophobicContact CE2-CE3 4.06Å; F52-W61 AromaticContact CE2-CG 3.66Å; F52-W61 HydrophobicContact CE2-CG 3.66Å; F52-W61 HydrophobicContact CE2-CH2 4.4Å; F52-W61 AromaticContact CE2-CZ2 3.94Å; F52-W61 HydrophobicContact CE2-CZ2 3.94Å; F52-W61 HydrophobicContact CE2-CZ3 4.49Å; F52-W61 AromaticContact CE2-NE1 3.77Å; F52-W61 HydrophobicContact CZ-CB 3.92Å; F52-W61 HydrophobicContact CZ-CD2 4.04Å; F52-W61 AromaticContact CZ-CG 3.75Å; F52-W61 HydrophobicContact CZ-CG 3.75Å; F52-V63 HydrophobicContact CE1-CG2 4.22Å; F52-V63 HydrophobicContact CZ-CG2 3.93Å; F52-M107 HydrophobicContact CB-CE 4.45Å; F52-M107 HydrophobicContact CD1-CE 3.99Å; F52-L122 HydrophobicContact CE1-CD1 3.58Å; F52-L122 HydrophobicContact CZ-CD1 3.81Å
53	K	83.7	Confident	89.1	Confident	88 Å²	88	61.4 Å²	61.4	38%	0.383	34%	0.336	S	S	.	.	H	α-helix	trans	-56.8	-45.1	-179.5	-173	170.7	178.7	161.9	0	112.6	T51 M107 E110	T51-K53 PolarHBondContact O-N 3.43Å; K53-M107 HydrophobicContact CB-CE 3.68Å; K53-M107 HydrophobicContact CB-SD 3.89Å; K53-M107 HydrophobicContact CD-SD 4.12Å; K53-M107 HydrophobicContact CG-CE 4.46Å; K53-M107 HydrophobicContact CG-SD 4.42Å; K53-E110 WeakPolarHBondContact CE-OE1 3.48Å; K53-E110 WeakPolarHBondContact CE-OE2 3.23Å; K53-E110 IonicContact NZ-OE1 3.33Å; K53-E110 PolarHBondContact NZ-OE1 3.4Å; K53-E110 IonicContact NZ-OE2 3.68Å; K53-E110 PolarHBondContact NZ-OE2 3.44Å
54	D	82.9	Confident	90.7	Very high	138 Å²	138	58.2 Å²	58.2	74%	0.738	31%	0.308	S	S	*	.	H	α-helix	trans	-81.1	-24.1	-173.6	-59.3	-39.5	0	0	0	111.9	T51 F52	T51-D54 PolarHBondContact O-N 2.82Å; F52-D54 VanDerWaalsContact C-N 3.31Å; F52-D54 PolarHBondContact O-N 3.37Å
55	T	82.4	Confident	91.3	Very high	82 Å²	82	54.4 Å²	54.4	50%	0.503	29%	0.291	S	S	.	.	H	α-helix	trans	-96.7	-16.9	-173.5	55.1	0	0	0	0	113.7	T51 F52 A57	T51-T55 PolarHBondContact O-N 2.83Å; T51-T55 PolarHBondContact O-OG1 3.25Å; T51-T55 VanDerWaalsContact O-OG1 3.09Å; F52-T55 WeakPolarHBondContact CA-OG1 3.36Å; F52-T55 PolarHBondContact O-N 3.29Å; F52-T55 PolarHBondContact O-OG1 3.03Å; T55-A57 PolarHBondContact O-N 2.99Å
56	R	86.8	Confident	91.5	Very high	24 Å²	24	56.1 Å²	56.1	9%	0.091	30%	0.297	C	S	.	.			trans	-75.5	-22.2	-173.3	73.6	-176.9	-171.6	83.5	3.2	115.9	F52 N58 D59 G124	F52-R56 HydrophobicContact CD2-CB 4.12Å; F52-R56 HydrophobicContact CE1-CB 4.35Å; F52-R56 HydrophobicContact CE2-CB 3.64Å; F52-R56 HydrophobicContact CZ-CB 3.77Å; F52-R56 VanDerWaalsContact O-CB 3.3Å; F52-R56 WeakPolarHBondContact O-CB 3.46Å; F52-R56 PolarHBondContact O-N 3.12Å; R56-N58 PolarHBondContact O-N 3.35Å; R56-D59 PolarHBondContact O-N 3.06Å; R56-G124 PolarHBondContact NH1-O 3.23Å
57	A	82.3	Confident	91.6	Very high	59 Å²	59	52.6 Å²	52.6	49%	0.488	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.7	-29.6	-159.6	0	0	0	0	0	115.2	T55	T55-A57 PolarHBondContact O-N 2.99Å
58	N	86.3	Confident	91.5	Very high	161 Å²	161	50.2 Å²	50.2	86%	0.861	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.8	-6	-177.5	-64	-47.6	0	0	0	114.1	R56	R56-N58 PolarHBondContact O-N 3.35Å
59	D	92.8	Very high	91.4	Very high	58 Å²	58	57.8 Å²	57.8	31%	0.31	30%	0.299	S	S	.	.	S	Bend	trans	-117.1	160.8	-174.1	-74.1	-36.7	0	0	0	111.4	R56 W61 R95	R56-D59 PolarHBondContact O-N 3.06Å; D59-W61 VanDerWaalsContact CB-NE1 3.34Å; D59-R95 IonicContact OD2-CZ 3.07Å; D59-R95 IonicContact OD2-NH1 3.37Å; D59-R95 PolarHBondContact OD2-NH1 3.34Å
60	I	96.1	Very high	91.5	Very high	27 Å²	27	55.3 Å²	55.3	14%	0.138	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	123.3	170.3	-54	178.4	0	0	0	107.9	V94 R95 L121 L122 K123 A147	I60-V94 HydrophobicContact CG2-CG2 4.02Å; I60-V94 WeakPolarHBondContact O-CA 3.2Å; I60-R95 PolarHBondContact O-N 2.88Å; I60-L121 HydrophobicContact CG2-CD1 4.21Å; I60-L121 HydrophobicContact CG2-CD2 3.73Å; I60-L121 HydrophobicContact CG2-CG 4.01Å; I60-L122 WeakPolarHBondContact CA-O 3.12Å; I60-K123 HydrophobicContact CD1-CD 4.16Å; I60-K123 HydrophobicContact CD1-CG 4.32Å; I60-K123 HydrophobicContact CG1-CG 4.16Å; I60-K123 HydrophobicContact CG2-CB 4.41Å; I60-A147 HydrophobicContact CD1-CB 3.97Å; I60-A147 HydrophobicContact CG2-CB 4.08Å
61	W	97.4	Very high	91.8	Very high	4 Å²	4	50.8 Å²	50.8	2%	0.015	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	128.1	-174	-75.7	93.8	0	0	0	111.9	E46 L48 F52 D59 V63 R95 L121 L122	E46-W61 HydrophobicContact CB-CH2 4.37Å; E46-W61 HydrophobicContact CB-CZ3 4.2Å; E46-W61 HydrophobicContact CG-CH2 4.49Å; E46-W61 HydrophobicContact CG-CZ3 4.46Å; E46-W61 WeakPolarHBondContact OE2-CH2 3.37Å; L48-W61 HydrophobicContact CD2-CE3 4.44Å; L48-W61 HydrophobicContact CD2-CH2 3.82Å; L48-W61 HydrophobicContact CD2-CZ3 3.77Å; F52-W61 HydrophobicContact CD2-CZ2 4.4Å; F52-W61 HydrophobicContact CE2-CB 4.32Å; F52-W61 AromaticContact CE2-CD1 3.84Å; F52-W61 AromaticContact CE2-CD2 3.53Å; F52-W61 HydrophobicContact CE2-CD2 3.53Å; F52-W61 AromaticContact CE2-CE2 3.54Å; F52-W61 HydrophobicContact CE2-CE3 4.06Å; F52-W61 AromaticContact CE2-CG 3.66Å; F52-W61 HydrophobicContact CE2-CG 3.66Å; F52-W61 HydrophobicContact CE2-CH2 4.4Å; F52-W61 AromaticContact CE2-CZ2 3.94Å; F52-W61 HydrophobicContact CE2-CZ2 3.94Å; F52-W61 HydrophobicContact CE2-CZ3 4.49Å; F52-W61 AromaticContact CE2-NE1 3.77Å; F52-W61 HydrophobicContact CZ-CB 3.92Å; F52-W61 HydrophobicContact CZ-CD2 4.04Å; F52-W61 AromaticContact CZ-CG 3.75Å; F52-W61 HydrophobicContact CZ-CG 3.75Å; D59-W61 VanDerWaalsContact CB-NE1 3.34Å; W61-V63 HydrophobicContact CB-CG2 3.96Å; W61-R95 CarbonylContact C-O 3.53Å; W61-R95 WeakPolarHBondContact CA-O 3.34Å; W61-R95 HydrophobicContact CD2-CB 3.75Å; W61-R95 HydrophobicContact CE3-CB 3.52Å; W61-R95 HydrophobicContact CH2-CB 4.16Å; W61-R95 VanDerWaalsContact CH2-NH2 3.3Å; W61-R95 HydrophobicContact CZ2-CB 4.34Å; W61-R95 HydrophobicContact CZ3-CB 3.71Å; W61-L121 CarbonylContact O-C 3.59Å; W61-L121 VanDerWaalsContact O-CA 3.26Å; W61-L121 WeakPolarHBondContact O-CA 3.39Å; W61-L122 HydrophobicContact CB-CB 4.31Å; W61-L122 PolarHBondContact N-O 3.02Å; W61-L122 PolarHBondContact O-N 3.37Å
62	L	98.3	Very high	92.1	Very high	0 Å²	0	54.9 Å²	54.9	0%	0	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	116.6	165.2	-178.6	71.8	0	0	0	108.2	W80 V83 L87 V94 R95 V96 G97 I119 L121 I139 F142 A143	L62-W80 HydrophobicContact CD1-CH2 4.17Å; L62-W80 HydrophobicContact CD2-CH2 3.85Å; L62-W80 HydrophobicContact CD2-CZ2 4.35Å; L62-W80 HydrophobicContact CD2-CZ3 4.3Å; L62-W80 HydrophobicContact CG-CH2 3.56Å; L62-W80 HydrophobicContact CG-CZ2 4.02Å; L62-W80 HydrophobicContact CG-CZ3 4.42Å; L62-V83 HydrophobicContact CD2-CG1 3.71Å; L62-L87 HydrophobicContact CD2-CD1 3.93Å; L62-V94 HydrophobicContact CB-CG1 3.63Å; L62-R95 PolarHBondContact N-O 3.34Å; L62-V96 HydrophobicContact CB-CG2 4.46Å; L62-V96 HydrophobicContact CD2-CG2 4.4Å; L62-V96 WeakPolarHBondContact O-CA 3.4Å; L62-G97 PolarHBondContact O-N 2.94Å; L62-I119 HydrophobicContact CD1-CG2 3.86Å; L62-L121 HydrophobicContact CD1-CB 4.27Å; L62-I139 HydrophobicContact CD2-CG2 3.77Å; L62-F142 HydrophobicContact CD1-CD1 4.29Å; L62-F142 HydrophobicContact CD1-CE1 4.18Å; L62-A143 HydrophobicContact CD1-CB 4.5Å; L62-A143 HydrophobicContact CD2-CB 4.09Å
63	V	98	Very high	92.4	Very high	0 Å²	0	55 Å²	55	0%	0	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	128.8	-170.1	-173.9	0	0	0	0	111.2	L48 F52 W61 F65 G97 M99 I119 K120 L122	L48-V63 HydrophobicContact CD1-CB 4.46Å; L48-V63 HydrophobicContact CD1-CG1 3.81Å; L48-V63 HydrophobicContact CD1-CG2 3.81Å; F52-V63 HydrophobicContact CE1-CG2 4.22Å; F52-V63 HydrophobicContact CZ-CG2 3.93Å; W61-V63 HydrophobicContact CB-CG2 3.96Å; V63-F65 HydrophobicContact CB-CD2 4.24Å; V63-F65 HydrophobicContact CB-CE2 3.71Å; V63-F65 HydrophobicContact CB-CZ 4.34Å; V63-F65 HydrophobicContact CG1-CD2 3.85Å; V63-F65 HydrophobicContact CG1-CE2 3.55Å; V63-F65 HydrophobicContact CG1-CG 4.44Å; V63-F65 HydrophobicContact CG1-CZ 3.94Å; V63-G97 WeakPolarHBondContact CA-O 3.29Å; V63-M99 HydrophobicContact CG1-CB 4.36Å; V63-I119 WeakPolarHBondContact O-CA 3.4Å; V63-K120 PolarHBondContact N-O 3.43Å; V63-K120 PolarHBondContact O-N 2.88Å; V63-L122 HydrophobicContact CG2-CD1 4.06Å; V63-L122 HydrophobicContact CG2-CG 4.47Å
64	D	98.1	Very high	92.9	Very high	5 Å²	5	56.7 Å²	56.7	3%	0.027	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94	112.8	166.2	177.9	24.5	0	0	0	109.8	W80 G97 K98 M99 P117	D64-W80 HydrophobicContact CB-CD2 3.76Å; D64-W80 HydrophobicContact CB-CE3 4.18Å; D64-W80 HydrophobicContact CB-CG 4.3Å; D64-W80 HydrophobicContact CB-CH2 3.92Å; D64-W80 HydrophobicContact CB-CZ2 3.52Å; D64-W80 HydrophobicContact CB-CZ3 4.25Å; D64-G97 PolarHBondContact N-O 2.83Å; D64-G97 VanDerWaalsContact N-O 3.1Å; D64-K98 HydrophobicContact CB-CB 4.4Å; D64-K98 CarbonylContact O-C 3.57Å; D64-K98 WeakPolarHBondContact O-CA 3.43Å; D64-M99 PolarHBondContact O-N 3.3Å; D64-P117 WeakPolarHBondContact OD1-CB 3.43Å
65	F	97.9	Very high	93.5	Very high	0 Å²	0	57.5 Å²	57.5	0%	0	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	104.8	172.7	-64.6	-104.3	0	0	0	108.5	V63 M99 A101 F111 V113 P117 T118 K120	V63-F65 HydrophobicContact CB-CD2 4.24Å; V63-F65 HydrophobicContact CB-CE2 3.71Å; V63-F65 HydrophobicContact CB-CZ 4.34Å; V63-F65 HydrophobicContact CG1-CD2 3.85Å; V63-F65 HydrophobicContact CG1-CE2 3.55Å; V63-F65 HydrophobicContact CG1-CG 4.44Å; V63-F65 HydrophobicContact CG1-CZ 3.94Å; F65-M99 HydrophobicContact CD1-CE 3.34Å; F65-M99 HydrophobicContact CE1-CE 3.19Å; F65-M99 HydrophobicContact CZ-CE 4.34Å; F65-A101 HydrophobicContact CB-CB 4.27Å; F65-F111 HydrophobicContact CE1-CB 4.26Å; F65-F111 AromaticContact CE1-CD2 3.86Å; F65-F111 HydrophobicContact CE1-CD2 3.86Å; F65-F111 HydrophobicContact CE1-CG 4.4Å; F65-F111 HydrophobicContact CZ-CB 3.96Å; F65-F111 AromaticContact CZ-CD2 3.68Å; F65-F111 HydrophobicContact CZ-CD2 3.68Å; F65-F111 HydrophobicContact CZ-CE2 4.48Å; F65-F111 AromaticContact CZ-CG 3.97Å; F65-F111 HydrophobicContact CZ-CG 3.97Å; F65-V113 HydrophobicContact CB-CG1 4.03Å; F65-V113 HydrophobicContact CB-CG2 3.92Å; F65-V113 HydrophobicContact CD1-CG2 3.58Å; F65-V113 HydrophobicContact CD2-CG2 4.03Å; F65-V113 HydrophobicContact CE1-CG2 4Å; F65-V113 HydrophobicContact CE2-CG2 4.44Å; F65-V113 HydrophobicContact CG-CG2 3.59Å; F65-V113 HydrophobicContact CZ-CG2 4.43Å; F65-P117 WeakPolarHBondContact O-CA 3.4Å; F65-T118 WeakPolarHBondContact CB-O 3.41Å; F65-T118 WeakPolarHBondContact CD2-O 3.41Å; F65-T118 PolarHBondContact N-O 2.89Å; F65-T118 PolarHBondContact O-N 2.98Å; F65-T118 VanDerWaalsContact O-N 3.09Å; F65-K120 HydrophobicContact CE2-CB 4.07Å; F65-K120 HydrophobicContact CE2-CD 4.04Å; F65-K120 HydrophobicContact CE2-CG 4.38Å
66	Y	97.8	Very high	94.2	Very high	47 Å²	47	53.8 Å²	53.8	18%	0.184	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	168.2	-170.3	78.1	-87.6	0	0	0	112.6	K98 M99 D100 A101	Y66-K98 HydrophobicContact CD1-CB 4.08Å; Y66-K98 HydrophobicContact CE1-CB 4.01Å; Y66-K98 HydrophobicContact CE1-CD 4.05Å; Y66-K98 HydrophobicContact CE1-CG 3.96Å; Y66-M99 VanDerWaalsContact CD1-O 3.22Å; Y66-M99 WeakPolarHBondContact CD1-O 3.41Å; Y66-M99 VanDerWaalsContact CE1-C 3.42Å; Y66-M99 PolarHBondContact N-O 3.14Å; Y66-D100 HydrophobicContact CE1-CB 4.31Å; Y66-D100 HydrophobicContact CE2-CB 4.31Å; Y66-A101 PolarHBondContact O-N 2.87Å
67	A	96.8	Very high	94.6	Very high	0 Å²	0	56.5 Å²	56.5	0%	0	28%	0.282	C	S	.	.			trans	-125.8	135.5	167.3	0	0	0	0	0	110	W69 C70 T102 Y116	A67-W69 HydrophobicContact CB-CD2 4.23Å; A67-W69 HydrophobicContact CB-CH2 4.33Å; A67-W69 HydrophobicContact CB-CZ2 3.84Å; A67-W69 PolarHBondContact O-N 2.74Å; A67-W69 VanDerWaalsContact O-N 3.15Å; A67-C70 HydrophobicContact CB-CB 4.1Å; A67-C70 WeakPolarHBondContact O-CB 3.29Å; A67-C70 PolarHBondContact O-N 2.82Å; A67-T102 HydrophobicContact CB-CG2 3.52Å; A67-Y116 HydrophobicContact CB-CD2 3.54Å; A67-Y116 HydrophobicContact CB-CE2 3.99Å; A67-Y116 HydrophobicContact CB-CG 3.91Å
68	P	93.9	Very high	95.3	Very high	65 Å²	65	57.3 Å²	57.3	42%	0.422	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.2	-23.1	-169.8	24	-33.9	0	0	0	113.8	K74 D100	P68-K74 WeakPolarHBondContact O-CE 3.42Å; P68-D100 WeakPolarHBondContact CD-OD2 3.46Å
69	W	91.8	Very high	95.8	Very high	174 Å²	174	51.4 Å²	51.4	66%	0.659	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.1	-10.5	177.8	46.5	-99.3	0	0	0	113.5	A67 G71 T102 Y116	A67-W69 HydrophobicContact CB-CD2 4.23Å; A67-W69 HydrophobicContact CB-CH2 4.33Å; A67-W69 HydrophobicContact CB-CZ2 3.84Å; A67-W69 PolarHBondContact O-N 2.74Å; A67-W69 VanDerWaalsContact O-N 3.15Å; W69-G71 PolarHBondContact O-N 3.11Å; W69-T102 HydrophobicContact CZ2-CG2 4.31Å; W69-Y116 HydrophobicContact CH2-CD2 4.3Å; W69-Y116 HydrophobicContact CZ2-CD2 4.48Å; W69-Y116 HydrophobicContact CZ2-CE2 4.43Å
70	C	94.4	Very high	96.1	Very high	12 Å²	12	48.7 Å²	48.7	8%	0.081	24%	0.237	C	C	.	.			trans	-76.7	120.5	-173.9	176.7	0	0	0	0	112.1	A67 Y72 C73 K74	A67-C70 HydrophobicContact CB-CB 4.1Å; A67-C70 WeakPolarHBondContact O-CB 3.29Å; A67-C70 PolarHBondContact O-N 2.82Å; C70-Y72 VanDerWaalsContact C-N 3.32Å; C70-Y72 PolarHBondContact O-N 2.73Å; C70-C73 HydrophobicContact CB-CB 3.94Å; C70-C73 WeakPolarHBondContact CB-SG 3.41Å; C70-C73 WeakPolarHBondContact O-CB 3.5Å; C70-C73 PolarHBondContact O-N 2.9Å; C70-K74 PolarHBondContact O-N 3.46Å; C70-K74 VanDerWaalsContact O-N 3.12Å
71	G	92.9	Very high	96.1	Very high	44 Å²	44	48.5 Å²	48.5	45%	0.454	24%	0.235	S	C	.	.	H	α-helix	trans	-62	-34.8	178.9	0	0	0	0	0	113.9	W69 K75	W69-G71 PolarHBondContact O-N 3.11Å; G71-K75 WeakPolarHBondContact O-CG 3.09Å; G71-K75 PolarHBondContact O-N 3.38Å
72	Y	93.1	Very high	96.1	Very high	160 Å²	160	52.4 Å²	52.4	63%	0.627	26%	0.256	S	S	*	.	H	α-helix	trans	-69.8	-35.4	175.8	-64.9	-75.9	0	0	0	112.3	C70 K75 L76	C70-Y72 VanDerWaalsContact C-N 3.32Å; C70-Y72 PolarHBondContact O-N 2.73Å; Y72-K75 PolarHBondContact O-N 3.33Å; Y72-L76 PolarHBondContact O-N 2.77Å; Y72-L76 VanDerWaalsContact O-N 3.09Å
73	C	96.1	Very high	96.1	Very high	6 Å²	6	52.4 Å²	52.4	4%	0.041	26%	0.256	C	S	.	.	H	α-helix	trans	-63.8	-46.7	174.4	-63.2	0	0	0	0	110.7	C70 K75 L76 E77	C70-C73 HydrophobicContact CB-CB 3.94Å; C70-C73 WeakPolarHBondContact CB-SG 3.41Å; C70-C73 WeakPolarHBondContact O-CB 3.5Å; C70-C73 PolarHBondContact O-N 2.9Å; C73-K75 PolarHBondContact O-N 3.49Å; C73-L76 PolarHBondContact O-N 2.96Å; C73-E77 PolarHBondContact O-N 2.6Å
74	K	95.2	Very high	96.1	Very high	124 Å²	124	52.5 Å²	52.5	54%	0.539	26%	0.257	S	S	.	.	H	α-helix	trans	-59.3	-32.2	176.7	-67.7	177.7	-178.1	177.7	0	113.1	P68 C70 P78	P68-K74 WeakPolarHBondContact O-CE 3.42Å; C70-K74 PolarHBondContact O-N 3.46Å; C70-K74 VanDerWaalsContact O-N 3.12Å; K74-P78 WeakPolarHBondContact O-CD 3.42Å
75	K	95.4	Very high	96	Very high	156 Å²	156	52.6 Å²	52.6	68%	0.678	26%	0.259	S	S	*	.	H	α-helix	trans	-73.2	-35.4	174.5	-73.2	178.6	179.8	-178.2	0	112.6	G71 Y72 C73	G71-K75 WeakPolarHBondContact O-CG 3.09Å; G71-K75 PolarHBondContact O-N 3.38Å; Y72-K75 PolarHBondContact O-N 3.33Å; C73-K75 PolarHBondContact O-N 3.49Å
76	L	96.8	Very high	96	Very high	4 Å²	4	55 Å²	55	2%	0.021	27%	0.27	C	S	.	.	H	α-helix	trans	-74.9	-34.4	178.7	176.8	64.3	0	0	0	112.2	Y72 C73 V79 W80 P117 I119 R134 I139	Y72-L76 PolarHBondContact O-N 2.77Å; Y72-L76 VanDerWaalsContact O-N 3.09Å; C73-L76 PolarHBondContact O-N 2.96Å; L76-V79 HydrophobicContact CD1-CB 4.37Å; L76-V79 CarbonylContact O-C 3.57Å; L76-V79 WeakPolarHBondContact O-CA 3.42Å; L76-V79 WeakPolarHBondContact O-CB 3.27Å; L76-V79 PolarHBondContact O-N 3.44Å; L76-W80 PolarHBondContact O-N 3.21Å; L76-P117 HydrophobicContact CD2-CB 3.73Å; L76-P117 HydrophobicContact CD2-CG 3.81Å; L76-I119 HydrophobicContact CD1-CD1 4.4Å; L76-I119 HydrophobicContact CD2-CD1 3.9Å; L76-I119 HydrophobicContact CD2-CG1 4.18Å; L76-R134 HydrophobicContact CD1-CB 4.05Å; L76-R134 HydrophobicContact CD1-CG 4.36Å; L76-I139 HydrophobicContact CD1-CD1 4.09Å
77	E	95.9	Very high	95.9	Very high	81 Å²	81	52.8 Å²	52.8	38%	0.379	26%	0.261	S	S	.	.	H	α-helix	trans	-45.7	-51.5	-175	-179.6	170.5	-143	0	0	115.1	C73 V79 W80 Y81 K98	C73-E77 PolarHBondContact O-N 2.6Å; E77-V79 VanDerWaalsContact C-N 3.33Å; E77-V79 PolarHBondContact O-N 3.06Å; E77-W80 WeakPolarHBondContact O-CB 3.48Å; E77-W80 PolarHBondContact O-N 3.5Å; E77-W80 VanDerWaalsContact O-N 3.14Å; E77-Y81 HydrophobicContact CG-CD2 4.05Å; E77-Y81 HydrophobicContact CG-CE2 3.39Å; E77-Y81 WeakPolarHBondContact O-CD2 3.33Å; E77-Y81 PolarHBondContact O-N 3.32Å; E77-Y81 PolarHBondContact OE1-OH 3.1Å; E77-K98 IonicContact OE1-NZ 3.09Å
78	P	96.4	Very high	95.8	Very high	75 Å²	75	59.5 Å²	59.5	49%	0.487	29%	0.29	S	S	.	.	H	α-helix	trans	-62	-39.8	177.6	23.3	-34	0	0	0	113	K74 W80 Y81 D82	K74-P78 WeakPolarHBondContact O-CD 3.42Å; P78-W80 VanDerWaalsContact C-N 3.27Å; P78-W80 PolarHBondContact O-N 3.41Å; P78-Y81 PolarHBondContact O-N 3.48Å; P78-D82 PolarHBondContact O-N 3.27Å
79	V	97.4	Very high	95.8	Very high	37 Å²	37	64.8 Å²	64.8	22%	0.224	30%	0.302	C	S	.	.	H	α-helix	trans	-63.9	-37.4	175.9	-179.3	0	0	0	0	110.4	L76 E77 Y81 D82 V83 K136	L76-V79 HydrophobicContact CD1-CB 4.37Å; L76-V79 CarbonylContact O-C 3.57Å; L76-V79 WeakPolarHBondContact O-CA 3.42Å; L76-V79 WeakPolarHBondContact O-CB 3.27Å; L76-V79 PolarHBondContact O-N 3.44Å; E77-V79 VanDerWaalsContact C-N 3.33Å; E77-V79 PolarHBondContact O-N 3.06Å; V79-Y81 PolarHBondContact O-N 3.4Å; V79-D82 WeakPolarHBondContact O-CB 3.3Å; V79-D82 PolarHBondContact O-N 2.98Å; V79-V83 HydrophobicContact CG1-CG2 4.47Å; V79-V83 WeakPolarHBondContact O-CG2 3.44Å; V79-V83 PolarHBondContact O-N 2.87Å; V79-K136 HydrophobicContact CG1-CB 4.06Å
80	W	98.1	Very high	95.9	Very high	2 Å²	2	59.7 Å²	59.7	1%	0.008	29%	0.293	C	S	.	.	H	α-helix	trans	-63.3	-40.9	-179.9	-162.7	-111.4	0	0	0	112.9	L62 D64 L76 E77 P78 V83 G84 V96 G97 I119 I139	L62-W80 HydrophobicContact CD1-CH2 4.17Å; L62-W80 HydrophobicContact CD2-CH2 3.85Å; L62-W80 HydrophobicContact CD2-CZ2 4.35Å; L62-W80 HydrophobicContact CD2-CZ3 4.3Å; L62-W80 HydrophobicContact CG-CH2 3.56Å; L62-W80 HydrophobicContact CG-CZ2 4.02Å; L62-W80 HydrophobicContact CG-CZ3 4.42Å; D64-W80 HydrophobicContact CB-CD2 3.76Å; D64-W80 HydrophobicContact CB-CE3 4.18Å; D64-W80 HydrophobicContact CB-CG 4.3Å; D64-W80 HydrophobicContact CB-CH2 3.92Å; D64-W80 HydrophobicContact CB-CZ2 3.52Å; D64-W80 HydrophobicContact CB-CZ3 4.25Å; L76-W80 PolarHBondContact O-N 3.21Å; E77-W80 WeakPolarHBondContact O-CB 3.48Å; E77-W80 PolarHBondContact O-N 3.5Å; E77-W80 VanDerWaalsContact O-N 3.14Å; P78-W80 VanDerWaalsContact C-N 3.27Å; P78-W80 PolarHBondContact O-N 3.41Å; W80-V83 WeakPolarHBondContact O-CB 3.4Å; W80-V83 PolarHBondContact O-N 3.12Å; W80-G84 PolarHBondContact O-N 2.91Å; W80-V96 HydrophobicContact CD2-CG1 4.48Å; W80-V96 HydrophobicContact CZ2-CG1 3.82Å; W80-G97 WeakPolarHBondContact CZ2-O 3.47Å; W80-G97 PolarHBondContact NE1-O 3.06Å; W80-I119 HydrophobicContact CE3-CD1 4.45Å; W80-I119 HydrophobicContact CH2-CB 4.44Å; W80-I119 HydrophobicContact CH2-CG1 4.07Å; W80-I119 HydrophobicContact CH2-CG2 3.74Å; W80-I119 HydrophobicContact CZ3-CB 4.39Å; W80-I119 HydrophobicContact CZ3-CD1 3.8Å; W80-I119 HydrophobicContact CZ3-CG1 3.68Å; W80-I119 HydrophobicContact CZ3-CG2 3.86Å; W80-I139 HydrophobicContact CE3-CD1 4.48Å; W80-I139 HydrophobicContact CZ3-CD1 4.4Å; W80-I139 HydrophobicContact CZ3-CG2 4.01Å
81	Y	97.3	Very high	95.9	Very high	23 Å²	23	62.1 Å²	62.1	9%	0.09	32%	0.32	C	S	.	.	H	α-helix	trans	-66.5	-38	173.6	-67.4	-68	0	0	0	112.5	F42 V45 E77 P78 V79 V83 G84 A85 K98	F42-Y81 AromaticContact CD1-CD1 3.81Å; F42-Y81 HydrophobicContact CD1-CD1 3.81Å; F42-Y81 HydrophobicContact CD1-CD2 4.24Å; F42-Y81 AromaticContact CD1-CE1 3.34Å; F42-Y81 HydrophobicContact CD1-CE1 3.34Å; F42-Y81 AromaticContact CD1-CE2 3.78Å; F42-Y81 HydrophobicContact CD1-CE2 3.78Å; F42-Y81 HydrophobicContact CD1-CG 4.26Å; F42-Y81 AromaticContact CD1-CZ 3.33Å; F42-Y81 HydrophobicContact CE1-CD1 4.32Å; F42-Y81 AromaticContact CE1-CD2 3.9Å; F42-Y81 HydrophobicContact CE1-CD2 3.9Å; F42-Y81 AromaticContact CE1-CE1 3.88Å; F42-Y81 HydrophobicContact CE1-CE1 3.88Å; F42-Y81 AromaticContact CE1-CE2 3.38Å; F42-Y81 HydrophobicContact CE1-CE2 3.38Å; F42-Y81 HydrophobicContact CE1-CG 4.34Å; F42-Y81 AromaticContact CE1-CZ 3.39Å; F42-Y81 HydrophobicContact CG-CE1 4.37Å; F42-Y81 HydrophobicContact CZ-CE2 4.47Å; V45-Y81 HydrophobicContact CB-CD1 3.73Å; V45-Y81 HydrophobicContact CB-CE1 3.74Å; V45-Y81 HydrophobicContact CG1-CD1 4.48Å; V45-Y81 HydrophobicContact CG1-CE1 4.18Å; V45-Y81 HydrophobicContact CG2-CD1 3.53Å; V45-Y81 HydrophobicContact CG2-CE1 4.06Å; V45-Y81 HydrophobicContact CG2-CG 4.35Å; E77-Y81 HydrophobicContact CG-CD2 4.05Å; E77-Y81 HydrophobicContact CG-CE2 3.39Å; E77-Y81 WeakPolarHBondContact O-CD2 3.33Å; E77-Y81 PolarHBondContact O-N 3.32Å; E77-Y81 PolarHBondContact OE1-OH 3.1Å; P78-Y81 PolarHBondContact O-N 3.48Å; V79-Y81 PolarHBondContact O-N 3.4Å; Y81-V83 VanDerWaalsContact C-N 3.31Å; Y81-V83 PolarHBondContact O-N 3.35Å; Y81-G84 PolarHBondContact O-N 3.3Å; Y81-A85 WeakPolarHBondContact O-CB 3.37Å; Y81-A85 PolarHBondContact O-N 2.96Å; Y81-K98 PolarHBondContact OH-NZ 2.99Å
82	D	96.9	Very high	96	Very high	86 Å²	86	61 Å²	61	46%	0.46	31%	0.305	S	S	.	.	H	α-helix	trans	-63.2	-38.1	174.4	-75.1	-20.9	0	0	0	111.9	P78 V79 A85 E86 K136	P78-D82 PolarHBondContact O-N 3.27Å; V79-D82 WeakPolarHBondContact O-CB 3.3Å; V79-D82 PolarHBondContact O-N 2.98Å; D82-A85 PolarHBondContact O-N 3.31Å; D82-E86 WeakPolarHBondContact O-CB 3.48Å; D82-E86 PolarHBondContact O-N 3.39Å; D82-K136 HydrophobicContact CB-CD 3.82Å; D82-K136 HydrophobicContact CB-CG 4Å
83	V	98.2	Very high	96	Very high	0 Å²	0	57.9 Å²	57.9	0%	0	31%	0.305	C	S	.	.	H	α-helix	trans	-60.6	-49.1	172.7	168.3	0	0	0	0	110.6	L62 V79 W80 Y81 A85 E86 L87 K136 I139 V140	L62-V83 HydrophobicContact CD2-CG1 3.71Å; V79-V83 HydrophobicContact CG1-CG2 4.47Å; V79-V83 WeakPolarHBondContact O-CG2 3.44Å; V79-V83 PolarHBondContact O-N 2.87Å; W80-V83 WeakPolarHBondContact O-CB 3.4Å; W80-V83 PolarHBondContact O-N 3.12Å; Y81-V83 VanDerWaalsContact C-N 3.31Å; Y81-V83 PolarHBondContact O-N 3.35Å; V83-A85 VanDerWaalsContact C-N 3.34Å; V83-A85 PolarHBondContact O-N 2.92Å; V83-E86 PolarHBondContact O-N 3.1Å; V83-L87 HydrophobicContact CG1-CD1 3.86Å; V83-L87 HydrophobicContact CG1-CG 4.45Å; V83-L87 PolarHBondContact O-N 3.03Å; V83-K136 HydrophobicContact CG2-CB 4.29Å; V83-K136 HydrophobicContact CG2-CG 3.97Å; V83-I139 HydrophobicContact CB-CG2 4.47Å; V83-I139 HydrophobicContact CG1-CG2 3.77Å; V83-I139 HydrophobicContact CG2-CB 3.94Å; V83-I139 HydrophobicContact CG2-CD1 4.37Å; V83-I139 HydrophobicContact CG2-CG2 3.88Å; V83-V140 HydrophobicContact CB-CG2 4.39Å; V83-V140 HydrophobicContact CG1-CG2 4.11Å; V83-V140 HydrophobicContact CG2-CG2 4.26Å
84	G	97.6	Very high	96	Very high	1 Å²	1	58 Å²	58	1%	0.01	31%	0.305	C	S	.	.	H	α-helix	trans	-56.8	-46.3	176.5	0	0	0	0	0	112.7	W80 Y81 E86 K88	W80-G84 PolarHBondContact O-N 2.91Å; Y81-G84 PolarHBondContact O-N 3.3Å; G84-E86 PolarHBondContact O-N 2.92Å; G84-K88 WeakPolarHBondContact O-CB 3.4Å; G84-K88 PolarHBondContact O-N 2.79Å; G84-K88 VanDerWaalsContact O-N 3.09Å
85	A	96.3	Very high	96.1	Very high	8 Å²	8	56 Å²	56	7%	0.066	29%	0.294	C	S	.	.	H	α-helix	trans	-64	-40.4	177.6	0	0	0	0	0	112.6	F44 Y81 D82 V83 R89	F44-A85 HydrophobicContact CD2-CB 3.99Å; Y81-A85 WeakPolarHBondContact O-CB 3.37Å; Y81-A85 PolarHBondContact O-N 2.96Å; D82-A85 PolarHBondContact O-N 3.31Å; V83-A85 VanDerWaalsContact C-N 3.34Å; V83-A85 PolarHBondContact O-N 2.92Å; A85-R89 VanDerWaalsContact O-CB 3.23Å; A85-R89 WeakPolarHBondContact O-CB 3.35Å; A85-R89 PolarHBondContact O-N 2.92Å
86	E	97	Very high	96.2	Very high	51 Å²	51	48.8 Å²	48.8	24%	0.238	26%	0.263	C	S	.	.	H	α-helix	trans	-69.8	-46	-179.9	-172.6	58.2	-144.6	0	0	112.4	D82 V83 G84 K88 R89 S90 V140	D82-E86 WeakPolarHBondContact O-CB 3.48Å; D82-E86 PolarHBondContact O-N 3.39Å; V83-E86 PolarHBondContact O-N 3.1Å; G84-E86 PolarHBondContact O-N 2.92Å; E86-K88 VanDerWaalsContact C-N 3.29Å; E86-K88 PolarHBondContact O-N 2.94Å; E86-R89 PolarHBondContact O-N 2.89Å; E86-R89 IonicContact OE2-CZ 2.72Å; E86-R89 IonicContact OE2-NH1 3.34Å; E86-R89 PolarHBondContact OE2-NH1 3.46Å; E86-S90 WeakPolarHBondContact O-CB 3.27Å; E86-S90 PolarHBondContact O-N 2.92Å; E86-S90 PolarHBondContact O-OG 3.11Å; E86-V140 HydrophobicContact CB-CG2 4.07Å; E86-V140 HydrophobicContact CG-CG1 4.24Å; E86-V140 HydrophobicContact CG-CG2 4.07Å
87	L	96.7	Very high	96.2	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-61.6	-40.2	177.1	-72.9	173.3	0	0	0	111.1	L62 V83 S90 G91 S92 V94 V96 V140 A143	L62-L87 HydrophobicContact CD2-CD1 3.93Å; V83-L87 HydrophobicContact CG1-CD1 3.86Å; V83-L87 HydrophobicContact CG1-CG 4.45Å; V83-L87 PolarHBondContact O-N 3.03Å; L87-S90 WeakPolarHBondContact CA-OG 3.42Å; L87-S90 PolarHBondContact O-OG 3.11Å; L87-S90 VanDerWaalsContact O-OG 3.09Å; L87-G91 PolarHBondContact O-N 3.48Å; L87-S92 WeakPolarHBondContact O-CB 3.26Å; L87-S92 PolarHBondContact O-N 2.99Å; L87-V94 HydrophobicContact CD1-CB 4.33Å; L87-V94 HydrophobicContact CD1-CG1 4.16Å; L87-V96 HydrophobicContact CB-CG2 4.45Å; L87-V96 HydrophobicContact CD1-CG2 3.61Å; L87-V140 HydrophobicContact CD2-CG1 4.03Å; L87-V140 HydrophobicContact CD2-CG2 4.49Å; L87-V140 HydrophobicContact CG-CG2 4.28Å; L87-A143 HydrophobicContact CD1-CB 3.94Å; L87-A143 HydrophobicContact CD2-CB 4.12Å
88	K	93.6	Very high	96.3	Very high	141 Å²	141	45.8 Å²	45.8	61%	0.613	25%	0.249	S	C	*	.	H	α-helix	trans	-65.2	-46.3	174.6	-172	65.5	171.5	-173.6	0	112.4	F44 G84 E86 G91	F44-K88 HydrophobicContact CD1-CB 3.99Å; F44-K88 HydrophobicContact CD1-CD 4.47Å; F44-K88 HydrophobicContact CD1-CG 3.66Å; F44-K88 HydrophobicContact CE1-CB 4.43Å; F44-K88 HydrophobicContact CE1-CG 3.76Å; F44-K88 HydrophobicContact CG-CB 4.31Å; F44-K88 HydrophobicContact CG-CG 4.46Å; G84-K88 WeakPolarHBondContact O-CB 3.4Å; G84-K88 PolarHBondContact O-N 2.79Å; G84-K88 VanDerWaalsContact O-N 3.09Å; E86-K88 VanDerWaalsContact C-N 3.29Å; E86-K88 PolarHBondContact O-N 2.94Å; K88-G91 PolarHBondContact O-N 3.42Å
89	R	94.7	Very high	96.3	Very high	175 Å²	175	42.3 Å²	42.3	66%	0.66	23%	0.226	S	C	*	.	H	α-helix	trans	-66.5	-37	-176.7	-167.9	-170.7	-49.3	128.8	12.1	112.5	A85 E86 G91	A85-R89 VanDerWaalsContact O-CB 3.23Å; A85-R89 WeakPolarHBondContact O-CB 3.35Å; A85-R89 PolarHBondContact O-N 2.92Å; E86-R89 PolarHBondContact O-N 2.89Å; E86-R89 IonicContact OE2-CZ 2.72Å; E86-R89 IonicContact OE2-NH1 3.34Å; E86-R89 PolarHBondContact OE2-NH1 3.46Å; R89-G91 PolarHBondContact O-N 3.42Å
90	S	94.2	Very high	96.3	Very high	67 Å²	67	42 Å²	42	47%	0.469	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.6	-5.8	177	57.4	0	0	0	0	113.6	E86 L87 S92	E86-S90 WeakPolarHBondContact O-CB 3.27Å; E86-S90 PolarHBondContact O-N 2.92Å; E86-S90 PolarHBondContact O-OG 3.11Å; L87-S90 WeakPolarHBondContact CA-OG 3.42Å; L87-S90 PolarHBondContact O-OG 3.11Å; L87-S90 VanDerWaalsContact O-OG 3.09Å; S90-S92 VanDerWaalsContact C-N 3.31Å
91	G	93.3	Very high	96.2	Very high	63 Å²	63	42 Å²	42	65%	0.649	22%	0.223	S	C	*	.	T	Hydrogen-bonded Turn	trans	74.2	22.6	-178.3	0	0	0	0	0	113.2	L87 K88 R89	L87-G91 PolarHBondContact O-N 3.48Å; K88-G91 PolarHBondContact O-N 3.42Å; R89-G91 PolarHBondContact O-N 3.42Å
92	S	95.1	Very high	96.1	Very high	20 Å²	20	43.6 Å²	43.6	14%	0.14	24%	0.235	C	C	.	.			trans	-61.7	141.9	175.7	-169.4	0	0	0	0	110.5	L87 S90 V94 N144	L87-S92 WeakPolarHBondContact O-CB 3.26Å; L87-S92 PolarHBondContact O-N 2.99Å; S90-S92 VanDerWaalsContact C-N 3.31Å; S92-V94 PolarHBondContact O-N 3.49Å; S92-V94 PolarHBondContact OG-N 3.12Å; S92-N144 PolarHBondContact OG-OD1 3Å; S92-N144 VanDerWaalsContact OG-OD1 3.08Å
93	P	93.9	Very high	96	Very high	96 Å²	96	42.6 Å²	42.6	62%	0.623	24%	0.239	S	C	*	.	S	Bend	trans	-73.8	-6.6	173.4	32.3	-36.7	0	0	0	112.8	R95	P93-R95 PolarHBondContact O-N 3.36Å
94	V	97	Very high	95.8	Very high	8 Å²	8	46.1 Å²	46.1	5%	0.048	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	121	-176.9	-176.8	0	0	0	0	110.4	I60 L62 L87 S92 A143 A147	I60-V94 HydrophobicContact CG2-CG2 4.02Å; I60-V94 WeakPolarHBondContact O-CA 3.2Å; L62-V94 HydrophobicContact CB-CG1 3.63Å; L87-V94 HydrophobicContact CD1-CB 4.33Å; L87-V94 HydrophobicContact CD1-CG1 4.16Å; S92-V94 PolarHBondContact O-N 3.49Å; S92-V94 PolarHBondContact OG-N 3.12Å; V94-A143 HydrophobicContact CG1-CB 4.44Å; V94-A147 HydrophobicContact CG2-CB 3.34Å
95	R	96.2	Very high	95.5	Very high	82 Å²	82	50 Å²	50	31%	0.309	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	143.7	168.7	-62.9	178.4	69.8	-174.6	-2.1	109.4	E46 D59 I60 W61 L62 P93	E46-R95 IonicContact OE1-CZ 3.79Å; E46-R95 IonicContact OE1-NE 2.76Å; E46-R95 PolarHBondContact OE1-NE 2.94Å; E46-R95 IonicContact OE1-NH2 3.11Å; E46-R95 PolarHBondContact OE1-NH2 2.93Å; E46-R95 IonicContact OE2-CZ 3.08Å; E46-R95 IonicContact OE2-NH2 3.05Å; E46-R95 PolarHBondContact OE2-NH2 3.23Å; D59-R95 IonicContact OD2-CZ 3.07Å; D59-R95 IonicContact OD2-NH1 3.37Å; D59-R95 PolarHBondContact OD2-NH1 3.34Å; I60-R95 PolarHBondContact O-N 2.88Å; W61-R95 CarbonylContact C-O 3.53Å; W61-R95 WeakPolarHBondContact CA-O 3.34Å; W61-R95 HydrophobicContact CD2-CB 3.75Å; W61-R95 HydrophobicContact CE3-CB 3.52Å; W61-R95 HydrophobicContact CH2-CB 4.16Å; W61-R95 VanDerWaalsContact CH2-NH2 3.3Å; W61-R95 HydrophobicContact CZ2-CB 4.34Å; W61-R95 HydrophobicContact CZ3-CB 3.71Å; L62-R95 PolarHBondContact N-O 3.34Å; P93-R95 PolarHBondContact O-N 3.36Å
96	V	97.9	Very high	95.3	Very high	5 Å²	5	52 Å²	52	3%	0.03	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	127.8	-179.9	-173.9	0	0	0	0	109.2	V45 E46 L62 W80 L87	V45-V96 WeakPolarHBondContact CA-O 3.23Å; V45-V96 HydrophobicContact CG1-CG1 4.45Å; V45-V96 HydrophobicContact CG2-CB 4.45Å; V45-V96 HydrophobicContact CG2-CG1 3.98Å; E46-V96 PolarHBondContact N-O 2.79Å; L62-V96 HydrophobicContact CB-CG2 4.46Å; L62-V96 HydrophobicContact CD2-CG2 4.4Å; L62-V96 WeakPolarHBondContact O-CA 3.4Å; W80-V96 HydrophobicContact CD2-CG1 4.48Å; W80-V96 HydrophobicContact CZ2-CG1 3.82Å; L87-V96 HydrophobicContact CB-CG2 4.45Å; L87-V96 HydrophobicContact CD1-CG2 3.61Å
97	G	97.4	Very high	94.9	Very high	0 Å²	0	50.3 Å²	50.3	0%	0	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	165.6	177.9	0	0	0	0	0	112.2	E46 L62 V63 D64 W80	E46-G97 CarbonylContact O-C 3.58Å; E46-G97 WeakPolarHBondContact O-CA 3.46Å; L62-G97 PolarHBondContact O-N 2.94Å; V63-G97 WeakPolarHBondContact CA-O 3.29Å; D64-G97 PolarHBondContact N-O 2.83Å; D64-G97 VanDerWaalsContact N-O 3.1Å; W80-G97 WeakPolarHBondContact CZ2-O 3.47Å; W80-G97 PolarHBondContact NE1-O 3.06Å
98	K	97.4	Very high	94.7	Very high	22 Å²	22	50.5 Å²	50.5	10%	0.096	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	145.6	169.3	67.5	179	-166.3	-179.9	0	109.2	V45 E46 D47 L48 D64 Y66 E77 Y81	V45-K98 HydrophobicContact CG1-CB 4.27Å; V45-K98 HydrophobicContact CG1-CD 4.21Å; V45-K98 HydrophobicContact CG1-CG 4.06Å; E46-K98 PolarHBondContact O-N 3.36Å; D47-K98 WeakPolarHBondContact OD1-CE 3.47Å; D47-K98 IonicContact OD1-NZ 2.93Å; L48-K98 PolarHBondContact N-O 3.37Å; D64-K98 HydrophobicContact CB-CB 4.4Å; D64-K98 CarbonylContact O-C 3.57Å; D64-K98 WeakPolarHBondContact O-CA 3.43Å; Y66-K98 HydrophobicContact CD1-CB 4.08Å; Y66-K98 HydrophobicContact CE1-CB 4.01Å; Y66-K98 HydrophobicContact CE1-CD 4.05Å; Y66-K98 HydrophobicContact CE1-CG 3.96Å; E77-K98 IonicContact OE1-NZ 3.09Å; Y81-K98 PolarHBondContact OH-NZ 2.99Å
99	M	96.6	Very high	94.7	Very high	1 Å²	1	48.1 Å²	48.1	1%	0.005	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	128.2	-178.6	-168.2	174.1	75.4	0	0	110.4	L48 V63 D64 F65 Y66 A101 Y104 M107	L48-M99 HydrophobicContact CB-CB 4.17Å; L48-M99 HydrophobicContact CB-CG 4.38Å; V63-M99 HydrophobicContact CG1-CB 4.36Å; D64-M99 PolarHBondContact O-N 3.3Å; F65-M99 HydrophobicContact CD1-CE 3.34Å; F65-M99 HydrophobicContact CE1-CE 3.19Å; F65-M99 HydrophobicContact CZ-CE 4.34Å; Y66-M99 VanDerWaalsContact CD1-O 3.22Å; Y66-M99 WeakPolarHBondContact CD1-O 3.41Å; Y66-M99 VanDerWaalsContact CE1-C 3.42Å; Y66-M99 PolarHBondContact N-O 3.14Å; M99-A101 PolarHBondContact O-N 3.04Å; M99-Y104 HydrophobicContact CG-CD2 3.7Å; M99-Y104 HydrophobicContact CG-CG 4.4Å; M99-Y104 HydrophobicContact SD-CD2 4.35Å; M99-M107 HydrophobicContact CE-CB 3.56Å; M99-M107 HydrophobicContact SD-CB 3.95Å; M99-M107 HydrophobicContact SD-CG 4.49Å
100	D	97.1	Very high	94.5	Very high	32 Å²	32	44.4 Å²	44.4	17%	0.171	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.9	98.3	169.9	-172.5	-22.5	0	0	0	109	Y66 P68 T102 A103 Y104	Y66-D100 HydrophobicContact CE1-CB 4.31Å; Y66-D100 HydrophobicContact CE2-CB 4.31Å; P68-D100 WeakPolarHBondContact CD-OD2 3.46Å; D100-T102 PolarHBondContact O-N 3.2Å; D100-T102 WeakPolarHBondContact OD1-CA 3.39Å; D100-T102 WeakPolarHBondContact OD1-CB 3.36Å; D100-T102 PolarHBondContact OD1-N 2.93Å; D100-T102 PolarHBondContact OD1-OG1 3.43Å; D100-A103 HydrophobicContact CB-CB 4.1Å; D100-A103 PolarHBondContact O-N 3.22Å; D100-A103 PolarHBondContact OD1-N 2.94Å; D100-Y104 VanDerWaalsContact O-CD2 3.26Å; D100-Y104 WeakPolarHBondContact O-CD2 3.4Å; D100-Y104 PolarHBondContact O-N 3.49Å
101	A	95.7	Very high	94.4	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	27%	0.268	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.6	-11.7	-178.5	0	0	0	0	0	112.9	F65 Y66 M99 S105 A108 Y116	F65-A101 HydrophobicContact CB-CB 4.27Å; Y66-A101 PolarHBondContact O-N 2.87Å; M99-A101 PolarHBondContact O-N 3.04Å; A101-S105 WeakPolarHBondContact O-CA 3.24Å; A101-S105 PolarHBondContact O-N 3Å; A101-A108 HydrophobicContact CB-CB 3.66Å; A101-Y116 HydrophobicContact CB-CD1 4.09Å; A101-Y116 HydrophobicContact CB-CE1 3.33Å
102	T	94.7	Very high	94.4	Very high	58 Å²	58	41.2 Å²	41.2	36%	0.356	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.1	-32.4	173.4	72.2	0	0	0	0	112	A67 W69 D100 Y116	A67-T102 HydrophobicContact CB-CG2 3.52Å; W69-T102 HydrophobicContact CZ2-CG2 4.31Å; D100-T102 PolarHBondContact O-N 3.2Å; D100-T102 WeakPolarHBondContact OD1-CA 3.39Å; D100-T102 WeakPolarHBondContact OD1-CB 3.36Å; D100-T102 PolarHBondContact OD1-N 2.93Å; D100-T102 PolarHBondContact OD1-OG1 3.43Å; T102-Y116 HydrophobicContact CG2-CE2 4.23Å
103	A	94.9	Very high	94.4	Very high	64 Å²	64	41 Å²	41	53%	0.529	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.7	-38.1	171.3	0	0	0	0	0	111.8	D100	D100-A103 HydrophobicContact CB-CB 4.1Å; D100-A103 PolarHBondContact O-N 3.22Å; D100-A103 PolarHBondContact OD1-N 2.94Å
104	Y	94.2	Very high	94.4	Very high	75 Å²	75	48.1 Å²	48.1	29%	0.294	27%	0.271	S	S	.	.			trans	-113.8	56.1	-175.6	-51.6	-66.9	0	0	0	112.3	D49 E50 M99 D100 G106 M107 A108	D49-Y104 HydrophobicContact CB-CE1 4.28Å; D49-Y104 HydrophobicContact CB-CE2 4.35Å; D49-Y104 WeakPolarHBondContact CB-OH 3.43Å; E50-Y104 HydrophobicContact CB-CD1 4.24Å; E50-Y104 HydrophobicContact CB-CE1 4.38Å; M99-Y104 HydrophobicContact CG-CD2 3.7Å; M99-Y104 HydrophobicContact CG-CG 4.4Å; M99-Y104 HydrophobicContact SD-CD2 4.35Å; D100-Y104 VanDerWaalsContact O-CD2 3.26Å; D100-Y104 WeakPolarHBondContact O-CD2 3.4Å; D100-Y104 PolarHBondContact O-N 3.49Å; Y104-G106 VanDerWaalsContact C-N 3.31Å; Y104-G106 PolarHBondContact O-N 2.83Å; Y104-M107 PolarHBondContact O-N 2.86Å; Y104-A108 PolarHBondContact O-N 3.4Å; Y104-A108 VanDerWaalsContact O-N 3.07Å
105	S	91.4	Very high	94.3	Very high	81 Å²	81	49.2 Å²	49.2	57%	0.566	28%	0.284	S	S	*	.	H	α-helix	trans	-62.1	-33.1	-173.6	61.2	0	0	0	0	114.2	A101 A108 S109	A101-S105 WeakPolarHBondContact O-CA 3.24Å; A101-S105 PolarHBondContact O-N 3Å; S105-A108 PolarHBondContact O-N 3.34Å; S105-S109 WeakPolarHBondContact O-CB 3.49Å; S105-S109 PolarHBondContact O-N 2.89Å
106	G	91.6	Very high	94.2	Very high	51 Å²	51	48.9 Å²	48.9	53%	0.526	28%	0.283	S	S	.	.	H	α-helix	trans	-61	-45.8	174.9	0	0	0	0	0	112.4	Y104 S109 E110	Y104-G106 VanDerWaalsContact C-N 3.31Å; Y104-G106 PolarHBondContact O-N 2.83Å; G106-S109 PolarHBondContact O-N 3.42Å; G106-E110 PolarHBondContact O-N 3.37Å
107	M	90.2	Very high	94.2	Very high	16 Å²	16	48.9 Å²	48.9	8%	0.079	28%	0.283	C	S	.	.	H	α-helix	trans	-65.2	-43.1	175.7	-71.3	-66.7	-76.1	0	0	111.7	F52 K53 M99 Y104 S109 E110 F111	F52-M107 HydrophobicContact CB-CE 4.45Å; F52-M107 HydrophobicContact CD1-CE 3.99Å; K53-M107 HydrophobicContact CB-CE 3.68Å; K53-M107 HydrophobicContact CB-SD 3.89Å; K53-M107 HydrophobicContact CD-SD 4.12Å; K53-M107 HydrophobicContact CG-CE 4.46Å; K53-M107 HydrophobicContact CG-SD 4.42Å; M99-M107 HydrophobicContact CE-CB 3.56Å; M99-M107 HydrophobicContact SD-CB 3.95Å; M99-M107 HydrophobicContact SD-CG 4.49Å; Y104-M107 PolarHBondContact O-N 2.86Å; M107-S109 VanDerWaalsContact C-N 3.31Å; M107-S109 PolarHBondContact O-N 3.45Å; M107-E110 PolarHBondContact O-N 3.2Å; M107-F111 HydrophobicContact CE-CE2 3.83Å; M107-F111 WeakPolarHBondContact O-CD2 3.47Å; M107-F111 PolarHBondContact O-N 3.11Å
108	A	91.9	Very high	94.2	Very high	4 Å²	4	50.3 Å²	50.3	3%	0.033	29%	0.292	C	S	.	.	H	α-helix	trans	-58.9	-44.2	176.2	0	0	0	0	0	111.7	A101 Y104 S105 F111 G112 V113	A101-A108 HydrophobicContact CB-CB 3.66Å; Y104-A108 PolarHBondContact O-N 3.4Å; Y104-A108 VanDerWaalsContact O-N 3.07Å; S105-A108 PolarHBondContact O-N 3.34Å; A108-F111 PolarHBondContact O-N 3.22Å; A108-G112 PolarHBondContact O-N 3.2Å; A108-V113 HydrophobicContact CB-CB 4.06Å; A108-V113 HydrophobicContact CB-CG1 4.5Å; A108-V113 HydrophobicContact CB-CG2 4.48Å; A108-V113 VanDerWaalsContact O-CB 3.27Å; A108-V113 WeakPolarHBondContact O-CB 3.33Å; A108-V113 WeakPolarHBondContact O-CG2 3.19Å; A108-V113 PolarHBondContact O-N 3.32Å
109	S	92.6	Very high	94.2	Very high	91 Å²	91	49.5 Å²	49.5	64%	0.636	29%	0.288	S	S	*	.	H	α-helix	trans	-63.3	-44	176.9	-171.7	0	0	0	0	112.3	S105 G106 M107 F111 G112	S105-S109 WeakPolarHBondContact O-CB 3.49Å; S105-S109 PolarHBondContact O-N 2.89Å; G106-S109 PolarHBondContact O-N 3.42Å; M107-S109 VanDerWaalsContact C-N 3.31Å; M107-S109 PolarHBondContact O-N 3.45Å; S109-F111 VanDerWaalsContact C-N 3.28Å; S109-F111 PolarHBondContact O-N 3.44Å; S109-G112 WeakPolarHBondContact O-CA 3.41Å; S109-G112 PolarHBondContact O-N 2.94Å
110	E	91	Very high	94.3	Very high	96 Å²	96	50 Å²	50	45%	0.449	29%	0.291	S	S	.	.	H	α-helix	trans	-57.2	-40.4	177.9	-179.1	172.4	167.6	0	0	112.3	K53 G106 M107 G112	K53-E110 WeakPolarHBondContact CE-OE1 3.48Å; K53-E110 WeakPolarHBondContact CE-OE2 3.23Å; K53-E110 IonicContact NZ-OE1 3.33Å; K53-E110 PolarHBondContact NZ-OE1 3.4Å; K53-E110 IonicContact NZ-OE2 3.68Å; K53-E110 PolarHBondContact NZ-OE2 3.44Å; G106-E110 PolarHBondContact O-N 3.37Å; M107-E110 PolarHBondContact O-N 3.2Å; E110-G112 VanDerWaalsContact C-N 3.26Å; E110-G112 PolarHBondContact O-N 2.8Å
111	F	92	Very high	94.3	Very high	20 Å²	20	48.5 Å²	48.5	9%	0.088	28%	0.283	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.7	5.2	175.6	-66.3	-66.3	0	0	0	113.9	F65 M107 A108 S109 V113 K120 L122 A127	F65-F111 HydrophobicContact CE1-CB 4.26Å; F65-F111 AromaticContact CE1-CD2 3.86Å; F65-F111 HydrophobicContact CE1-CD2 3.86Å; F65-F111 HydrophobicContact CE1-CG 4.4Å; F65-F111 HydrophobicContact CZ-CB 3.96Å; F65-F111 AromaticContact CZ-CD2 3.68Å; F65-F111 HydrophobicContact CZ-CD2 3.68Å; F65-F111 HydrophobicContact CZ-CE2 4.48Å; F65-F111 AromaticContact CZ-CG 3.97Å; F65-F111 HydrophobicContact CZ-CG 3.97Å; M107-F111 HydrophobicContact CE-CE2 3.83Å; M107-F111 WeakPolarHBondContact O-CD2 3.47Å; M107-F111 PolarHBondContact O-N 3.11Å; A108-F111 PolarHBondContact O-N 3.22Å; S109-F111 VanDerWaalsContact C-N 3.28Å; S109-F111 PolarHBondContact O-N 3.44Å; F111-V113 HydrophobicContact CB-CG2 4.45Å; F111-K120 HydrophobicContact CB-CD 4.03Å; F111-K120 WeakPolarHBondContact O-CE 3.43Å; F111-K120 PolarHBondContact O-NZ 3.15Å; F111-L122 HydrophobicContact CD1-CD1 4.35Å; F111-L122 HydrophobicContact CD1-CD2 3.74Å; F111-L122 HydrophobicContact CE1-CD1 3.85Å; F111-L122 HydrophobicContact CE1-CD2 3.8Å; F111-L122 HydrophobicContact CE1-CG 4.45Å; F111-L122 HydrophobicContact CE2-CD1 4.31Å; F111-L122 HydrophobicContact CG-CD2 4.5Å; F111-L122 HydrophobicContact CZ-CD1 3.84Å; F111-A127 HydrophobicContact CD1-CB 4.22Å
112	G	94.1	Very high	94.3	Very high	44 Å²	44	48.6 Å²	48.6	45%	0.454	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	69.2	33.9	177.8	0	0	0	0	0	113.7	A108 S109 E110 R114	A108-G112 PolarHBondContact O-N 3.2Å; S109-G112 WeakPolarHBondContact O-CA 3.41Å; S109-G112 PolarHBondContact O-N 2.94Å; E110-G112 VanDerWaalsContact C-N 3.26Å; E110-G112 PolarHBondContact O-N 2.8Å; G112-R114 PolarHBondContact O-N 3.26Å
113	V	95.6	Very high	94.2	Very high	15 Å²	15	48.7 Å²	48.7	9%	0.091	28%	0.279	C	S	.	.			trans	-77.3	116.8	175.4	178.6	0	0	0	0	109.4	F65 A108 F111 Y116 T118	F65-V113 HydrophobicContact CB-CG1 4.03Å; F65-V113 HydrophobicContact CB-CG2 3.92Å; F65-V113 HydrophobicContact CD1-CG2 3.58Å; F65-V113 HydrophobicContact CD2-CG2 4.03Å; F65-V113 HydrophobicContact CE1-CG2 4Å; F65-V113 HydrophobicContact CE2-CG2 4.44Å; F65-V113 HydrophobicContact CG-CG2 3.59Å; F65-V113 HydrophobicContact CZ-CG2 4.43Å; A108-V113 HydrophobicContact CB-CB 4.06Å; A108-V113 HydrophobicContact CB-CG1 4.5Å; A108-V113 HydrophobicContact CB-CG2 4.48Å; A108-V113 VanDerWaalsContact O-CB 3.27Å; A108-V113 WeakPolarHBondContact O-CB 3.33Å; A108-V113 WeakPolarHBondContact O-CG2 3.19Å; A108-V113 PolarHBondContact O-N 3.32Å; F111-V113 HydrophobicContact CB-CG2 4.45Å; V113-Y116 HydrophobicContact CG1-CD1 4.06Å; V113-Y116 HydrophobicContact CG1-CE1 3.74Å; V113-T118 HydrophobicContact CG1-CG2 4.46Å; V113-T118 HydrophobicContact CG2-CG2 4.09Å
114	R	93.6	Very high	93.9	Very high	245 Å²	245	47.1 Å²	47.1	93%	0.925	27%	0.269	S	S	*	.			trans	-111.8	-4.4	-178.1	-61.7	-177.1	-178.2	-178.5	0.2	113.9	G112	G112-R114 PolarHBondContact O-N 3.26Å
115	G	94.1	Very high	93.6	Very high	31 Å²	31	50.8 Å²	50.8	32%	0.32	29%	0.293	S	S	.	.	S	Bend	trans	-170.7	170.1	-177	0	0	0	0	0	111.4	T118	G115-T118 PolarHBondContact O-OG1 3.48Å
116	Y	95.2	Very high	93.6	Very high	75 Å²	75	51.7 Å²	51.7	29%	0.294	29%	0.291	S	S	.	.	S	Bend	trans	-128.8	140.7	-171	-45.9	-59.5	0	0	0	112	A67 W69 A101 T102 V113	A67-Y116 HydrophobicContact CB-CD2 3.54Å; A67-Y116 HydrophobicContact CB-CE2 3.99Å; A67-Y116 HydrophobicContact CB-CG 3.91Å; W69-Y116 HydrophobicContact CH2-CD2 4.3Å; W69-Y116 HydrophobicContact CZ2-CD2 4.48Å; W69-Y116 HydrophobicContact CZ2-CE2 4.43Å; A101-Y116 HydrophobicContact CB-CD1 4.09Å; A101-Y116 HydrophobicContact CB-CE1 3.33Å; T102-Y116 HydrophobicContact CG2-CE2 4.23Å; V113-Y116 HydrophobicContact CG1-CD1 4.06Å; V113-Y116 HydrophobicContact CG1-CE1 3.74Å
117	P	96.4	Very high	93.7	Very high	6 Å²	6	51.5 Å²	51.5	4%	0.039	29%	0.285	C	S	.	.	S	Bend	cis	-76.9	143.8	-7.8	29.6	-31.9	0	0	0	111.6	D64 F65 L76 R134	D64-P117 WeakPolarHBondContact OD1-CB 3.43Å; F65-P117 WeakPolarHBondContact O-CA 3.4Å; L76-P117 HydrophobicContact CD2-CB 3.73Å; L76-P117 HydrophobicContact CD2-CG 3.81Å; P117-R134 PolarHBondContact O-NH2 3.46Å
118	T	97.6	Very high	94	Very high	30 Å²	30	52.6 Å²	52.6	18%	0.184	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	123.3	169.2	-71	0	0	0	0	109.4	F65 V113 G115 K120	F65-T118 WeakPolarHBondContact CB-O 3.41Å; F65-T118 WeakPolarHBondContact CD2-O 3.41Å; F65-T118 PolarHBondContact N-O 2.89Å; F65-T118 PolarHBondContact O-N 2.98Å; F65-T118 VanDerWaalsContact O-N 3.09Å; V113-T118 HydrophobicContact CG1-CG2 4.46Å; V113-T118 HydrophobicContact CG2-CG2 4.09Å; G115-T118 PolarHBondContact O-OG1 3.48Å; T118-K120 HydrophobicContact CG2-CD 4.25Å; T118-K120 HydrophobicContact CG2-CG 4.08Å
119	I	98.3	Very high	94.2	Very high	4 Å²	4	54.8 Å²	54.8	2%	0.021	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	128.6	177.9	-64.9	162.1	0	0	0	108.8	L62 V63 L76 W80 Y130 I139	L62-I119 HydrophobicContact CD1-CG2 3.86Å; V63-I119 WeakPolarHBondContact O-CA 3.4Å; L76-I119 HydrophobicContact CD1-CD1 4.4Å; L76-I119 HydrophobicContact CD2-CD1 3.9Å; L76-I119 HydrophobicContact CD2-CG1 4.18Å; W80-I119 HydrophobicContact CE3-CD1 4.45Å; W80-I119 HydrophobicContact CH2-CB 4.44Å; W80-I119 HydrophobicContact CH2-CG1 4.07Å; W80-I119 HydrophobicContact CH2-CG2 3.74Å; W80-I119 HydrophobicContact CZ3-CB 4.39Å; W80-I119 HydrophobicContact CZ3-CD1 3.8Å; W80-I119 HydrophobicContact CZ3-CG1 3.68Å; W80-I119 HydrophobicContact CZ3-CG2 3.86Å; I119-Y130 HydrophobicContact CB-CD1 4.33Å; I119-Y130 HydrophobicContact CD1-CD1 3.97Å; I119-Y130 HydrophobicContact CG2-CD1 4.38Å; I119-Y130 HydrophobicContact CG2-CG 4.35Å; I119-Y130 PolarHBondContact O-N 3.31Å; I119-I139 HydrophobicContact CD1-CD1 3.89Å; I119-I139 HydrophobicContact CD1-CG1 4.38Å
120	K	97.7	Very high	94.3	Very high	13 Å²	13	51.9 Å²	51.9	6%	0.057	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	145.5	174.7	-68.9	172.6	-178.6	-85.6	0	112	V63 F65 F111 T118 L122 Y128 S129	V63-K120 PolarHBondContact N-O 3.43Å; V63-K120 PolarHBondContact O-N 2.88Å; F65-K120 HydrophobicContact CE2-CB 4.07Å; F65-K120 HydrophobicContact CE2-CD 4.04Å; F65-K120 HydrophobicContact CE2-CG 4.38Å; F111-K120 HydrophobicContact CB-CD 4.03Å; F111-K120 WeakPolarHBondContact O-CE 3.43Å; F111-K120 PolarHBondContact O-NZ 3.15Å; T118-K120 HydrophobicContact CG2-CD 4.25Å; T118-K120 HydrophobicContact CG2-CG 4.08Å; K120-L122 HydrophobicContact CB-CD2 4.15Å; K120-Y128 CarbonylContact C-O 3.56Å; K120-Y128 WeakPolarHBondContact CA-O 3.18Å; K120-S129 PolarHBondContact NZ-OG 3.2Å
121	L	97.7	Very high	94.3	Very high	0 Å²	0	52.4 Å²	52.4	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	124.5	165	-173.9	149.9	0	0	0	109.5	I60 W61 L62 K123 Y128 F142 A143 V146 A147	I60-L121 HydrophobicContact CG2-CD1 4.21Å; I60-L121 HydrophobicContact CG2-CD2 3.73Å; I60-L121 HydrophobicContact CG2-CG 4.01Å; W61-L121 CarbonylContact O-C 3.59Å; W61-L121 VanDerWaalsContact O-CA 3.26Å; W61-L121 WeakPolarHBondContact O-CA 3.39Å; L62-L121 HydrophobicContact CD1-CB 4.27Å; L121-K123 HydrophobicContact CD2-CB 4.06Å; L121-Y128 HydrophobicContact CD2-CD2 4.02Å; L121-Y128 PolarHBondContact N-O 2.89Å; L121-Y128 PolarHBondContact O-N 3.26Å; L121-F142 HydrophobicContact CB-CE1 3.78Å; L121-F142 HydrophobicContact CB-CZ 4.16Å; L121-A143 HydrophobicContact CD1-CB 4.25Å; L121-V146 HydrophobicContact CD1-CB 4.15Å; L121-V146 HydrophobicContact CD2-CB 4.25Å; L121-V146 HydrophobicContact CD2-CG1 3.75Å; L121-A147 HydrophobicContact CD1-CB 4.5Å
122	L	95.8	Very high	94.3	Very high	1 Å²	1	51.9 Å²	51.9	1%	0.005	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	126.4	-178.8	-48.7	-179.4	0	0	0	108.9	F52 I60 W61 V63 F111 K120 L126 A127	F52-L122 HydrophobicContact CE1-CD1 3.58Å; F52-L122 HydrophobicContact CZ-CD1 3.81Å; I60-L122 WeakPolarHBondContact CA-O 3.12Å; W61-L122 HydrophobicContact CB-CB 4.31Å; W61-L122 PolarHBondContact N-O 3.02Å; W61-L122 PolarHBondContact O-N 3.37Å; V63-L122 HydrophobicContact CG2-CD1 4.06Å; V63-L122 HydrophobicContact CG2-CG 4.47Å; F111-L122 HydrophobicContact CD1-CD1 4.35Å; F111-L122 HydrophobicContact CD1-CD2 3.74Å; F111-L122 HydrophobicContact CE1-CD1 3.85Å; F111-L122 HydrophobicContact CE1-CD2 3.8Å; F111-L122 HydrophobicContact CE1-CG 4.45Å; F111-L122 HydrophobicContact CE2-CD1 4.31Å; F111-L122 HydrophobicContact CG-CD2 4.5Å; F111-L122 HydrophobicContact CZ-CD1 3.84Å; K120-L122 HydrophobicContact CB-CD2 4.15Å; L122-L126 WeakPolarHBondContact CA-O 3.47Å; L122-A127 HydrophobicContact CD2-CB 3.55Å
123	K	92.5	Very high	94.3	Very high	61 Å²	61	51.3 Å²	51.3	27%	0.265	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	103.8	-177.8	176.9	174.1	175.8	175.3	0	109.1	I60 L121 D125 L126 Y128 A147 G148	I60-K123 HydrophobicContact CD1-CD 4.16Å; I60-K123 HydrophobicContact CD1-CG 4.32Å; I60-K123 HydrophobicContact CG1-CG 4.16Å; I60-K123 HydrophobicContact CG2-CB 4.41Å; L121-K123 HydrophobicContact CD2-CB 4.06Å; K123-D125 PolarHBondContact O-N 3.3Å; K123-L126 PolarHBondContact N-O 3.45Å; K123-L126 WeakPolarHBondContact O-CB 3.45Å; K123-L126 PolarHBondContact O-N 2.83Å; K123-Y128 HydrophobicContact CB-CE2 4.42Å; K123-A147 PolarHBondContact NZ-O 3.14Å; K123-G148 PolarHBondContact NZ-O 2.82Å
124	G	88.6	Confident	94.2	Very high	31 Å²	31	55.9 Å²	55.9	32%	0.32	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	57.2	-127.3	-167.5	0	0	0	0	0	110	R56 L126	R56-G124 PolarHBondContact NH1-O 3.23Å; G124-L126 VanDerWaalsContact C-N 3.33Å
125	D	87.8	Confident	94.4	Very high	152 Å²	152	47.1 Å²	47.1	81%	0.813	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.3	-6	177.4	-61.5	-40	0	0	0	114.1	K123	K123-D125 PolarHBondContact O-N 3.3Å
126	L	90.8	Very high	94.5	Very high	99 Å²	99	48.9 Å²	48.9	52%	0.518	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	137.8	-177.1	-57.3	174.1	0	0	0	111	L122 K123 G124 Y128	L122-L126 WeakPolarHBondContact CA-O 3.47Å; K123-L126 PolarHBondContact N-O 3.45Å; K123-L126 WeakPolarHBondContact O-CB 3.45Å; K123-L126 PolarHBondContact O-N 2.83Å; G124-L126 VanDerWaalsContact C-N 3.33Å; L126-Y128 HydrophobicContact CB-CD2 4.45Å; L126-Y128 HydrophobicContact CB-CE2 3.66Å; L126-Y128 HydrophobicContact CD1-CE2 4.44Å; L126-Y128 VanDerWaalsContact CD1-OH 3.23Å; L126-Y128 WeakPolarHBondContact CD1-OH 3.44Å
127	A	94.3	Very high	94.6	Very high	47 Å²	47	50.3 Å²	50.3	39%	0.388	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	114.3	177.5	0	0	0	0	0	110.6	F111 L122	F111-A127 HydrophobicContact CD1-CB 4.22Å; L122-A127 HydrophobicContact CD2-CB 3.55Å
128	Y	96.3	Very high	94.5	Very high	39 Å²	39	52.6 Å²	52.6	15%	0.153	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105	126.2	-176.1	-59.4	-84	0	0	0	110.3	K120 L121 K123 L126 V146 I192 V193	K120-Y128 CarbonylContact C-O 3.56Å; K120-Y128 WeakPolarHBondContact CA-O 3.18Å; L121-Y128 HydrophobicContact CD2-CD2 4.02Å; L121-Y128 PolarHBondContact N-O 2.89Å; L121-Y128 PolarHBondContact O-N 3.26Å; K123-Y128 HydrophobicContact CB-CE2 4.42Å; L126-Y128 HydrophobicContact CB-CD2 4.45Å; L126-Y128 HydrophobicContact CB-CE2 3.66Å; L126-Y128 HydrophobicContact CD1-CE2 4.44Å; L126-Y128 VanDerWaalsContact CD1-OH 3.23Å; L126-Y128 WeakPolarHBondContact CD1-OH 3.44Å; Y128-V146 HydrophobicContact CD1-CG1 3.92Å; Y128-V146 HydrophobicContact CD2-CG1 3.27Å; Y128-V146 HydrophobicContact CE1-CG1 4.2Å; Y128-V146 HydrophobicContact CE2-CG1 3.61Å; Y128-V146 HydrophobicContact CG-CG1 3.41Å; Y128-V146 VanDerWaalsContact CG-CG1 3.41Å; Y128-I192 HydrophobicContact CD1-CG2 4.33Å; Y128-I192 HydrophobicContact CE1-CG2 3.87Å; Y128-V193 HydrophobicContact CD1-CG1 3.47Å; Y128-V193 VanDerWaalsContact CD1-CG1 3.47Å; Y128-V193 HydrophobicContact CE1-CG1 4.41Å; Y128-V193 HydrophobicContact CG-CG1 4.07Å
129	S	95.8	Very high	94.5	Very high	50 Å²	50	51.2 Å²	51.2	35%	0.35	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	132.1	-178	-53.1	0	0	0	0	110.8	K120	K120-S129 PolarHBondContact NZ-OG 3.2Å
130	Y	95.8	Very high	94.5	Very high	31 Å²	31	51.8 Å²	51.8	12%	0.122	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	127	173.4	-178.5	-106.2	0	0	0	110.6	I119 G132 P133 D138 I139 F142	I119-Y130 HydrophobicContact CB-CD1 4.33Å; I119-Y130 HydrophobicContact CD1-CD1 3.97Å; I119-Y130 HydrophobicContact CG2-CD1 4.38Å; I119-Y130 HydrophobicContact CG2-CG 4.35Å; I119-Y130 PolarHBondContact O-N 3.31Å; Y130-G132 WeakPolarHBondContact CE1-O 3.13Å; Y130-G132 VanDerWaalsContact OH-C 3.25Å; Y130-G132 WeakPolarHBondContact OH-CA 3.37Å; Y130-P133 PolarHBondContact OH-O 3.23Å; Y130-D138 WeakPolarHBondContact OH-CB 3.43Å; Y130-I139 HydrophobicContact CD1-CG1 4.29Å; Y130-I139 HydrophobicContact CE1-CG1 3.76Å; Y130-F142 HydrophobicContact CD2-CB 3.64Å; Y130-F142 AromaticContact CD2-CD1 3.72Å; Y130-F142 HydrophobicContact CD2-CD1 3.72Å; Y130-F142 AromaticContact CD2-CD2 3.62Å; Y130-F142 HydrophobicContact CD2-CD2 3.62Å; Y130-F142 HydrophobicContact CD2-CE1 4.26Å; Y130-F142 HydrophobicContact CD2-CE2 4.14Å; Y130-F142 AromaticContact CD2-CG 3.36Å; Y130-F142 HydrophobicContact CD2-CG 3.36Å; Y130-F142 HydrophobicContact CD2-CZ 4.45Å; Y130-F142 HydrophobicContact CE2-CB 3.68Å; Y130-F142 HydrophobicContact CE2-CD2 4.33Å; Y130-F142 AromaticContact CE2-CG 3.96Å; Y130-F142 HydrophobicContact CE2-CG 3.96Å; Y130-F142 HydrophobicContact CG-CD1 4.15Å; Y130-F142 HydrophobicContact CG-CE1 4.41Å; Y130-F142 HydrophobicContact CG-CG 4.24Å
131	K	91.6	Very high	94.4	Very high	107 Å²	107	54.9 Å²	54.9	47%	0.465	29%	0.291	S	S	.	.			trans	-119.7	0.5	-179.2	-63.7	-176.6	-178.2	175.6	0	113.9	F254	K131-F254 VanDerWaalsContact O-CD1 3.32Å; K131-F254 WeakPolarHBondContact O-CD1 3.41Å
132	G	91.9	Very high	94.4	Very high	8 Å²	8	55 Å²	55	8%	0.082	29%	0.291	C	S	.	.	S	Bend	trans	-83.3	-171.1	-174.2	0	0	0	0	0	114.9	Y130	Y130-G132 WeakPolarHBondContact CE1-O 3.13Å; Y130-G132 VanDerWaalsContact OH-C 3.25Å; Y130-G132 WeakPolarHBondContact OH-CA 3.37Å
133	P	92.8	Very high	94.5	Very high	33 Å²	33	55 Å²	55	21%	0.214	29%	0.291	C	S	.	.			trans	-58.3	134.2	177.7	-23.7	34.3	0	0	0	113	Y130 T135 F254	Y130-P133 PolarHBondContact OH-O 3.23Å; P133-T135 HydrophobicContact CB-CG2 4.16Å; P133-T135 PolarHBondContact O-N 3.03Å; P133-F254 HydrophobicContact CB-CD2 4.41Å; P133-F254 HydrophobicContact CG-CD2 4.08Å; P133-F254 HydrophobicContact CG-CG 4.43Å
134	R	94.8	Very high	94.7	Very high	110 Å²	110	54.8 Å²	54.8	42%	0.415	29%	0.293	S	S	.	.			trans	-80.2	44.5	-177.7	-71	-177.6	176.6	96.7	-7.4	113.1	L76 P117	L76-R134 HydrophobicContact CD1-CB 4.05Å; L76-R134 HydrophobicContact CD1-CG 4.36Å; P117-R134 PolarHBondContact O-NH2 3.46Å
135	T	96.2	Very high	95	Very high	61 Å²	61	54.6 Å²	54.6	37%	0.374	28%	0.282	S	S	.	.	S	Bend	trans	-95.5	158.7	174	91.6	0	0	0	0	110.5	P133 D137 D138 I139	P133-T135 HydrophobicContact CB-CG2 4.16Å; P133-T135 PolarHBondContact O-N 3.03Å; T135-D137 VanDerWaalsContact C-N 3.35Å; T135-D137 PolarHBondContact O-N 3.24Å; T135-D137 PolarHBondContact OG1-N 2.81Å; T135-D138 WeakPolarHBondContact CB-OD2 3.44Å; T135-D138 WeakPolarHBondContact CG2-OD2 3.29Å; T135-D138 PolarHBondContact OG1-N 3.47Å; T135-D138 PolarHBondContact OG1-OD2 2.97Å; T135-I139 WeakPolarHBondContact O-CB 3.26Å; T135-I139 WeakPolarHBondContact O-CD1 3.27Å; T135-I139 VanDerWaalsContact O-CG1 3.23Å; T135-I139 WeakPolarHBondContact O-CG1 3.2Å; T135-I139 PolarHBondContact O-N 3.15Å
136	K	97.1	Very high	95.5	Very high	68 Å²	68	47.4 Å²	47.4	30%	0.296	24%	0.244	S	C	.	.	H	α-helix	trans	-59.4	-46.8	178.6	-177.9	-157.2	70.5	-179.4	0	111.3	V79 D82 V83 I139 V140	V79-K136 HydrophobicContact CG1-CB 4.06Å; D82-K136 HydrophobicContact CB-CD 3.82Å; D82-K136 HydrophobicContact CB-CG 4Å; V83-K136 HydrophobicContact CG2-CB 4.29Å; V83-K136 HydrophobicContact CG2-CG 3.97Å; K136-I139 PolarHBondContact O-N 3.06Å; K136-V140 HydrophobicContact CG-CG2 4.41Å; K136-V140 WeakPolarHBondContact O-CB 3.24Å; K136-V140 WeakPolarHBondContact O-CG2 3.42Å; K136-V140 PolarHBondContact O-N 3.3Å
137	D	96.3	Very high	95.7	Very high	105 Å²	105	43.2 Å²	43.2	56%	0.561	22%	0.224	S	C	*	.	H	α-helix	trans	-68.6	-42.2	-172.6	-64.5	-25.1	0	0	0	111.1	T135 I139 V140 E141	T135-D137 VanDerWaalsContact C-N 3.35Å; T135-D137 PolarHBondContact O-N 3.24Å; T135-D137 PolarHBondContact OG1-N 2.81Å; D137-I139 PolarHBondContact O-N 3.12Å; D137-V140 PolarHBondContact O-N 2.89Å; D137-E141 WeakPolarHBondContact O-CB 3.47Å; D137-E141 PolarHBondContact O-N 3.47Å
138	D	95.6	Very high	95.7	Very high	55 Å²	55	41.9 Å²	41.9	29%	0.294	22%	0.215	S	C	.	.	H	α-helix	trans	-65.7	-40.3	178.4	-62.2	-69.8	0	0	0	112.5	Y130 T135 E141 F142	Y130-D138 WeakPolarHBondContact OH-CB 3.43Å; T135-D138 WeakPolarHBondContact CB-OD2 3.44Å; T135-D138 WeakPolarHBondContact CG2-OD2 3.29Å; T135-D138 PolarHBondContact OG1-N 3.47Å; T135-D138 PolarHBondContact OG1-OD2 2.97Å; D138-E141 PolarHBondContact O-N 2.89Å; D138-F142 WeakPolarHBondContact O-CB 3.4Å; D138-F142 PolarHBondContact O-N 3.06Å
139	I	98.1	Very high	95.6	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-68.8	-42.1	178	-65.8	168.2	0	0	0	110.6	L62 L76 W80 V83 I119 Y130 T135 K136 D137 F142 A143	L62-I139 HydrophobicContact CD2-CG2 3.77Å; L76-I139 HydrophobicContact CD1-CD1 4.09Å; W80-I139 HydrophobicContact CE3-CD1 4.48Å; W80-I139 HydrophobicContact CZ3-CD1 4.4Å; W80-I139 HydrophobicContact CZ3-CG2 4.01Å; V83-I139 HydrophobicContact CB-CG2 4.47Å; V83-I139 HydrophobicContact CG1-CG2 3.77Å; V83-I139 HydrophobicContact CG2-CB 3.94Å; V83-I139 HydrophobicContact CG2-CD1 4.37Å; V83-I139 HydrophobicContact CG2-CG2 3.88Å; I119-I139 HydrophobicContact CD1-CD1 3.89Å; I119-I139 HydrophobicContact CD1-CG1 4.38Å; Y130-I139 HydrophobicContact CD1-CG1 4.29Å; Y130-I139 HydrophobicContact CE1-CG1 3.76Å; T135-I139 WeakPolarHBondContact O-CB 3.26Å; T135-I139 WeakPolarHBondContact O-CD1 3.27Å; T135-I139 VanDerWaalsContact O-CG1 3.23Å; T135-I139 WeakPolarHBondContact O-CG1 3.2Å; T135-I139 PolarHBondContact O-N 3.15Å; K136-I139 PolarHBondContact O-N 3.06Å; D137-I139 PolarHBondContact O-N 3.12Å; I139-F142 PolarHBondContact O-N 2.82Å; I139-A143 WeakPolarHBondContact O-CB 3.24Å; I139-A143 PolarHBondContact O-N 3.41Å
140	V	97.8	Very high	95.6	Very high	16 Å²	16	42.8 Å²	42.8	10%	0.097	23%	0.227	C	C	.	.	H	α-helix	trans	-63.4	-42	176.1	167.9	0	0	0	0	110.8	V83 E86 L87 K136 D137 A143 N144	V83-V140 HydrophobicContact CB-CG2 4.39Å; V83-V140 HydrophobicContact CG1-CG2 4.11Å; V83-V140 HydrophobicContact CG2-CG2 4.26Å; E86-V140 HydrophobicContact CB-CG2 4.07Å; E86-V140 HydrophobicContact CG-CG1 4.24Å; E86-V140 HydrophobicContact CG-CG2 4.07Å; L87-V140 HydrophobicContact CD2-CG1 4.03Å; L87-V140 HydrophobicContact CD2-CG2 4.49Å; L87-V140 HydrophobicContact CG-CG2 4.28Å; K136-V140 HydrophobicContact CG-CG2 4.41Å; K136-V140 WeakPolarHBondContact O-CB 3.24Å; K136-V140 WeakPolarHBondContact O-CG2 3.42Å; K136-V140 PolarHBondContact O-N 3.3Å; D137-V140 PolarHBondContact O-N 2.89Å; V140-A143 PolarHBondContact O-N 3.32Å; V140-N144 WeakPolarHBondContact CG1-ND2 3.42Å; V140-N144 WeakPolarHBondContact O-CB 3.38Å; V140-N144 PolarHBondContact O-N 3.14Å; V140-N144 PolarHBondContact O-ND2 3.39Å; V140-N144 VanDerWaalsContact O-ND2 3.07Å
141	E	95.8	Very high	95.7	Very high	79 Å²	79	42.7 Å²	42.7	37%	0.369	23%	0.229	S	C	.	.	H	α-helix	trans	-61.8	-48.3	176	-171.6	-172.1	155.9	0	0	111.3	D137 D138 A143 N144 R145 Y196	D137-E141 WeakPolarHBondContact O-CB 3.47Å; D137-E141 PolarHBondContact O-N 3.47Å; D138-E141 PolarHBondContact O-N 2.89Å; E141-A143 VanDerWaalsContact C-N 3.32Å; E141-A143 PolarHBondContact O-N 3.07Å; E141-N144 PolarHBondContact O-N 3.32Å; E141-R145 VanDerWaalsContact O-CB 3.31Å; E141-R145 WeakPolarHBondContact O-CB 3.45Å; E141-R145 PolarHBondContact O-N 3.28Å; E141-R145 IonicContact OE1-NH1 3.88Å; E141-R145 PolarHBondContact OE1-NH1 2.72Å; E141-Y196 HydrophobicContact CG-CE2 4.26Å; E141-Y196 PolarHBondContact O-OH 2.88Å
142	F	97.6	Very high	96	Very high	2 Å²	2	39.6 Å²	39.6	1%	0.009	21%	0.214	C	C	.	.	H	α-helix	trans	-55.5	-47.8	175.4	167	-101.2	0	0	0	111.7	L62 L121 Y130 D138 I139 N144 R145 V146 V193	L62-F142 HydrophobicContact CD1-CD1 4.29Å; L62-F142 HydrophobicContact CD1-CE1 4.18Å; L121-F142 HydrophobicContact CB-CE1 3.78Å; L121-F142 HydrophobicContact CB-CZ 4.16Å; Y130-F142 HydrophobicContact CD2-CB 3.64Å; Y130-F142 AromaticContact CD2-CD1 3.72Å; Y130-F142 HydrophobicContact CD2-CD1 3.72Å; Y130-F142 AromaticContact CD2-CD2 3.62Å; Y130-F142 HydrophobicContact CD2-CD2 3.62Å; Y130-F142 HydrophobicContact CD2-CE1 4.26Å; Y130-F142 HydrophobicContact CD2-CE2 4.14Å; Y130-F142 AromaticContact CD2-CG 3.36Å; Y130-F142 HydrophobicContact CD2-CG 3.36Å; Y130-F142 HydrophobicContact CD2-CZ 4.45Å; Y130-F142 HydrophobicContact CE2-CB 3.68Å; Y130-F142 HydrophobicContact CE2-CD2 4.33Å; Y130-F142 AromaticContact CE2-CG 3.96Å; Y130-F142 HydrophobicContact CE2-CG 3.96Å; Y130-F142 HydrophobicContact CG-CD1 4.15Å; Y130-F142 HydrophobicContact CG-CE1 4.41Å; Y130-F142 HydrophobicContact CG-CG 4.24Å; D138-F142 WeakPolarHBondContact O-CB 3.4Å; D138-F142 PolarHBondContact O-N 3.06Å; I139-F142 PolarHBondContact O-N 2.82Å; F142-N144 PolarHBondContact O-N 2.99Å; F142-R145 PolarHBondContact O-N 2.93Å; F142-V146 HydrophobicContact CD2-CG2 3.82Å; F142-V146 HydrophobicContact CE2-CG2 3.58Å; F142-V146 HydrophobicContact CZ-CG2 4.09Å; F142-V146 WeakPolarHBondContact O-CG2 3.39Å; F142-V146 PolarHBondContact O-N 3.32Å; F142-V193 HydrophobicContact CE2-CB 4.28Å; F142-V193 HydrophobicContact CE2-CG1 4.3Å
143	A	97.9	Very high	96.2	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-59.9	-48.1	-179.8	0	0	0	0	0	111.7	L62 L87 V94 L121 I139 V140 E141 R145 A147	L62-A143 HydrophobicContact CD1-CB 4.5Å; L62-A143 HydrophobicContact CD2-CB 4.09Å; L87-A143 HydrophobicContact CD1-CB 3.94Å; L87-A143 HydrophobicContact CD2-CB 4.12Å; V94-A143 HydrophobicContact CG1-CB 4.44Å; L121-A143 HydrophobicContact CD1-CB 4.25Å; I139-A143 WeakPolarHBondContact O-CB 3.24Å; I139-A143 PolarHBondContact O-N 3.41Å; V140-A143 PolarHBondContact O-N 3.32Å; E141-A143 VanDerWaalsContact C-N 3.32Å; E141-A143 PolarHBondContact O-N 3.07Å; A143-R145 VanDerWaalsContact C-N 3.33Å; A143-R145 PolarHBondContact O-N 2.89Å; A143-A147 WeakPolarHBondContact O-CB 3.26Å; A143-A147 PolarHBondContact O-N 2.63Å
144	N	96.1	Very high	96.4	Very high	57 Å²	57	41 Å²	41	31%	0.305	23%	0.228	S	C	.	.	H	α-helix	trans	-66.4	-34.1	178.4	-71.4	-38.8	0	0	0	112.7	S92 V140 E141 F142 R152	S92-N144 PolarHBondContact OG-OD1 3Å; S92-N144 VanDerWaalsContact OG-OD1 3.08Å; V140-N144 WeakPolarHBondContact CG1-ND2 3.42Å; V140-N144 WeakPolarHBondContact O-CB 3.38Å; V140-N144 PolarHBondContact O-N 3.14Å; V140-N144 PolarHBondContact O-ND2 3.39Å; V140-N144 VanDerWaalsContact O-ND2 3.07Å; E141-N144 PolarHBondContact O-N 3.32Å; F142-N144 PolarHBondContact O-N 2.99Å; N144-R152 PolarHBondContact O-NH2 3.04Å
145	R	95.8	Very high	96.5	Very high	27 Å²	27	40.3 Å²	40.3	10%	0.102	24%	0.237	C	C	.	.	H	α-helix	trans	-64.5	-52.2	176.2	-176.3	164	61.4	-135	5.2	111.6	E141 F142 A143 R152 I192 V193 Y196	E141-R145 VanDerWaalsContact O-CB 3.31Å; E141-R145 WeakPolarHBondContact O-CB 3.45Å; E141-R145 PolarHBondContact O-N 3.28Å; E141-R145 IonicContact OE1-NH1 3.88Å; E141-R145 PolarHBondContact OE1-NH1 2.72Å; F142-R145 PolarHBondContact O-N 2.93Å; A143-R145 VanDerWaalsContact C-N 3.33Å; A143-R145 PolarHBondContact O-N 2.89Å; R145-R152 PolarHBondContact O-NH2 3.31Å; R145-I192 VanDerWaalsContact CD-O 3.24Å; R145-I192 WeakPolarHBondContact CD-O 3.15Å; R145-I192 HydrophobicContact CG-CD1 3.88Å; R145-I192 HydrophobicContact CG-CG1 4.22Å; R145-I192 WeakPolarHBondContact CG-O 3.5Å; R145-I192 PolarHBondContact NE-O 3.1Å; R145-V193 PolarHBondContact NH2-O 3.09Å; R145-Y196 HydrophobicContact CB-CD1 4.41Å; R145-Y196 HydrophobicContact CB-CE1 3.73Å; R145-Y196 HydrophobicContact CB-CE2 3.96Å; R145-Y196 VanDerWaalsContact CB-CZ 3.46Å; R145-Y196 WeakPolarHBondContact CB-OH 2.91Å; R145-Y196 HydrophobicContact CG-CD1 3.85Å; R145-Y196 HydrophobicContact CG-CD2 4.09Å; R145-Y196 HydrophobicContact CG-CE1 3.68Å; R145-Y196 HydrophobicContact CG-CE2 3.92Å; R145-Y196 HydrophobicContact CG-CG 4.04Å
146	V	96.9	Very high	96.4	Very high	2 Å²	2	39.6 Å²	39.6	1%	0.012	24%	0.235	C	C	.	.	H	α-helix	trans	-82.3	-28	-171.8	-175.6	0	0	0	0	112	L121 Y128 F142 G148 I192 V193	L121-V146 HydrophobicContact CD1-CB 4.15Å; L121-V146 HydrophobicContact CD2-CB 4.25Å; L121-V146 HydrophobicContact CD2-CG1 3.75Å; Y128-V146 HydrophobicContact CD1-CG1 3.92Å; Y128-V146 HydrophobicContact CD2-CG1 3.27Å; Y128-V146 HydrophobicContact CE1-CG1 4.2Å; Y128-V146 HydrophobicContact CE2-CG1 3.61Å; Y128-V146 HydrophobicContact CG-CG1 3.41Å; Y128-V146 VanDerWaalsContact CG-CG1 3.41Å; F142-V146 HydrophobicContact CD2-CG2 3.82Å; F142-V146 HydrophobicContact CE2-CG2 3.58Å; F142-V146 HydrophobicContact CZ-CG2 4.09Å; F142-V146 WeakPolarHBondContact O-CG2 3.39Å; F142-V146 PolarHBondContact O-N 3.32Å; V146-G148 VanDerWaalsContact C-N 3.28Å; V146-G148 PolarHBondContact O-N 2.98Å; V146-I192 HydrophobicContact CG1-CG2 4.39Å; V146-V193 HydrophobicContact CG2-CG1 4.43Å
147	A	95.6	Very high	96.3	Very high	11 Å²	11	39.4 Å²	39.4	9%	0.091	23%	0.234	C	C	.	.	H	α-helix	trans	-65	-32.7	174.7	0	0	0	0	0	113	I60 V94 L121 K123 A143	I60-A147 HydrophobicContact CD1-CB 3.97Å; I60-A147 HydrophobicContact CG2-CB 4.08Å; V94-A147 HydrophobicContact CG2-CB 3.34Å; L121-A147 HydrophobicContact CD1-CB 4.5Å; K123-A147 PolarHBondContact NZ-O 3.14Å; A143-A147 WeakPolarHBondContact O-CB 3.26Å; A143-A147 PolarHBondContact O-N 2.63Å
148	G	93.8	Very high	96.3	Very high	19 Å²	19	42 Å²	42	20%	0.196	24%	0.243	C	C	.	.	S	Bend	trans	-69.5	-179.2	178.2	0	0	0	0	0	114.5	K123 V146	K123-G148 PolarHBondContact NZ-O 2.82Å; V146-G148 VanDerWaalsContact C-N 3.28Å; V146-G148 PolarHBondContact O-N 2.98Å
149	P	94.9	Very high	96.2	Very high	77 Å²	77	43.1 Å²	43.1	50%	0.5	25%	0.247	S	C	.	.			trans	-65.5	150.3	170.6	29.8	-34.2	0	0	0	110.4	V151 R152	P149-V151 VanDerWaalsContact C-N 3.28Å; P149-V151 PolarHBondContact O-N 2.99Å; P149-R152 HydrophobicContact CG-CG 3.85Å; P149-R152 PolarHBondContact O-NH1 3.37Å; P149-R152 VanDerWaalsContact O-NH1 3.12Å
150	A	95.8	Very high	96.1	Very high	31 Å²	31	43.1 Å²	43.1	26%	0.256	25%	0.247	S	C	.	.	S	Bend	trans	-57	-45.4	177.9	0	0	0	0	0	110.8	A188 F197	A150-A188 HydrophobicContact CB-CB 4.28Å; A150-F197 WeakPolarHBondContact O-CB 3.31Å
151	V	98.3	Very high	95.9	Very high	28 Å²	28	45.9 Å²	45.9	17%	0.17	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	127.4	174.3	-178.2	0	0	0	0	110.2	P149 Y184 N185 A188 F197	P149-V151 VanDerWaalsContact C-N 3.28Å; P149-V151 PolarHBondContact O-N 2.99Å; V151-Y184 HydrophobicContact CB-CE1 4.49Å; V151-Y184 HydrophobicContact CG1-CE1 3.91Å; V151-Y184 HydrophobicContact CG2-CD1 3.97Å; V151-Y184 HydrophobicContact CG2-CE1 3.71Å; V151-N185 WeakPolarHBondContact CG2-OD1 3.31Å; V151-A188 HydrophobicContact CG2-CB 3.53Å; V151-F197 HydrophobicContact CG2-CB 4.16Å
152	R	97.3	Very high	95.9	Very high	42 Å²	42	47.1 Å²	47.1	16%	0.158	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	130.9	179.7	-69.3	169.3	178.9	74.1	-1	111.1	N144 R145 P149 F197 F198 S199	N144-R152 PolarHBondContact O-NH2 3.04Å; R145-R152 PolarHBondContact O-NH2 3.31Å; P149-R152 HydrophobicContact CG-CG 3.85Å; P149-R152 PolarHBondContact O-NH1 3.37Å; P149-R152 VanDerWaalsContact O-NH1 3.12Å; R152-F197 PolarHBondContact N-O 3.12Å; R152-F198 HydrophobicContact CB-CD1 3.62Å; R152-F198 HydrophobicContact CB-CE1 3.85Å; R152-F198 CarbonylContact O-C 3.54Å; R152-F198 WeakPolarHBondContact O-CA 3.13Å; R152-S199 PolarHBondContact O-N 3.25Å
153	A	97.3	Very high	95.7	Very high	68 Å²	68	48.9 Å²	48.9	56%	0.562	27%	0.274	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-76.3	138.3	176.4	0	0	0	0	0	111.7	P155 S199	A153-P155 WeakPolarHBondContact O-CD 2.96Å; A153-S199 CarbonylContact C-O 3.55Å; A153-S199 WeakPolarHBondContact CA-O 3.42Å
154	L	96.9	Very high	95.5	Very high	4 Å²	4	51.6 Å²	51.6	2%	0.021	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	89.2	171.5	-60	177.2	0	0	0	107.6	S156 M159 F160 M163 L170 F198 S199 A200 A204	L154-S156 VanDerWaalsContact C-N 3.26Å; L154-S156 PolarHBondContact O-N 3.15Å; L154-M159 HydrophobicContact CD2-CG 3.94Å; L154-M159 HydrophobicContact CD2-SD 4.15Å; L154-F160 HydrophobicContact CB-CD2 4.31Å; L154-F160 HydrophobicContact CD1-CD2 3.5Å; L154-F160 HydrophobicContact CD1-CE2 3.99Å; L154-F160 HydrophobicContact CD1-CG 4.26Å; L154-M163 HydrophobicContact CD2-CB 4.34Å; L154-M163 HydrophobicContact CD2-CG 3.7Å; L154-L170 HydrophobicContact CD1-CD2 4.36Å; L154-F198 HydrophobicContact CD1-CB 3.72Å; L154-F198 HydrophobicContact CD1-CD1 3.95Å; L154-F198 HydrophobicContact CD1-CG 3.98Å; L154-F198 HydrophobicContact CD2-CD1 3.66Å; L154-F198 HydrophobicContact CD2-CE1 4.14Å; L154-F198 HydrophobicContact CG-CB 4.04Å; L154-F198 HydrophobicContact CG-CD1 3.81Å; L154-F198 HydrophobicContact CG-CG 4.26Å; L154-S199 PolarHBondContact N-O 3.08Å; L154-A200 HydrophobicContact CB-CB 4.22Å; L154-A204 WeakPolarHBondContact O-CB 3.45Å
155	P	95	Very high	95.3	Very high	94 Å²	94	57.3 Å²	57.3	61%	0.61	31%	0.31	S	S	*	.			trans	-79	-5.7	-169.8	33.1	-36.2	0	0	0	113.7	A153 M159	A153-P155 WeakPolarHBondContact O-CD 2.96Å; P155-M159 WeakPolarHBondContact CD-SD 3.33Å; P155-M159 HydrophobicContact CG-CE 3.97Å; P155-M159 HydrophobicContact CG-SD 4.22Å
156	S	95.4	Very high	95.2	Very high	46 Å²	46	64.7 Å²	64.7	32%	0.322	34%	0.338	S	S	.	.	S	Bend	trans	-151.7	153.8	-176.6	67.4	0	0	0	0	112	L154 Q158 M159 F160	L154-S156 VanDerWaalsContact C-N 3.26Å; L154-S156 PolarHBondContact O-N 3.15Å; S156-Q158 PolarHBondContact O-N 2.84Å; S156-M159 PolarHBondContact O-N 3.03Å; S156-M159 VanDerWaalsContact O-N 3.1Å; S156-M159 PolarHBondContact OG-N 2.87Å; S156-F160 PolarHBondContact O-N 3.12Å
157	K	95.4	Very high	95	Very high	64 Å²	64	66 Å²	66	28%	0.278	34%	0.344	S	S	.	.	H	α-helix	trans	-52.9	-40.4	173.3	-171.1	-179.2	-179.6	-172.5	0	112.9	M159 F160 E161 A204 E207	K157-M159 PolarHBondContact O-N 3.4Å; K157-F160 WeakPolarHBondContact O-CB 3.47Å; K157-F160 PolarHBondContact O-N 3.46Å; K157-E161 VanDerWaalsContact CE-OE1 3.29Å; K157-E161 WeakPolarHBondContact CE-OE1 3.44Å; K157-E161 WeakPolarHBondContact O-CB 3.42Å; K157-E161 WeakPolarHBondContact O-CG 3.43Å; K157-E161 PolarHBondContact O-N 2.84Å; K157-A204 WeakPolarHBondContact CA-O 3.42Å; K157-E207 IonicContact NZ-OE1 3.63Å; K157-E207 PolarHBondContact NZ-OE1 3Å
158	Q	94.7	Very high	94.9	Very high	161 Å²	161	70.7 Å²	70.7	75%	0.752	37%	0.367	S	S	*	.	H	α-helix	trans	-64	-42.1	178.6	-66.8	179.5	4.2	0	0	112.3	S156 H162	S156-Q158 PolarHBondContact O-N 2.84Å; Q158-H162 WeakPolarHBondContact O-CB 3.24Å; Q158-H162 PolarHBondContact O-N 3.45Å
159	M	94.9	Very high	95	Very high	77 Å²	77	70.5 Å²	70.5	38%	0.379	36%	0.362	S	S	.	.	H	α-helix	trans	-68.6	-39.8	176.9	-169.7	176.4	-62	0	0	111	L154 P155 S156 K157 H162 M163	L154-M159 HydrophobicContact CD2-CG 3.94Å; L154-M159 HydrophobicContact CD2-SD 4.15Å; P155-M159 WeakPolarHBondContact CD-SD 3.33Å; P155-M159 HydrophobicContact CG-CE 3.97Å; P155-M159 HydrophobicContact CG-SD 4.22Å; S156-M159 PolarHBondContact O-N 3.03Å; S156-M159 VanDerWaalsContact O-N 3.1Å; S156-M159 PolarHBondContact OG-N 2.87Å; K157-M159 PolarHBondContact O-N 3.4Å; M159-H162 PolarHBondContact O-N 3.42Å; M159-M163 WeakPolarHBondContact O-CG 3.27Å; M159-M163 PolarHBondContact O-N 3.29Å
160	F	95.6	Very high	95.1	Very high	0 Å²	0	66.9 Å²	66.9	0%	0	34%	0.338	C	S	.	.	H	α-helix	trans	-58.7	-52.1	175.3	-167.7	-79.5	0	0	0	111.7	L154 S156 K157 H162 M163 L164 L170 V172 A200 A204 L205 P206 F220	L154-F160 HydrophobicContact CB-CD2 4.31Å; L154-F160 HydrophobicContact CD1-CD2 3.5Å; L154-F160 HydrophobicContact CD1-CE2 3.99Å; L154-F160 HydrophobicContact CD1-CG 4.26Å; S156-F160 PolarHBondContact O-N 3.12Å; K157-F160 WeakPolarHBondContact O-CB 3.47Å; K157-F160 PolarHBondContact O-N 3.46Å; F160-H162 VanDerWaalsContact C-N 3.29Å; F160-H162 PolarHBondContact O-N 3.35Å; F160-M163 PolarHBondContact O-N 2.93Å; F160-M163 VanDerWaalsContact O-N 3.12Å; F160-L164 HydrophobicContact CD1-CD1 3.69Å; F160-L164 HydrophobicContact CD1-CG 3.92Å; F160-L164 HydrophobicContact CE1-CD1 3.39Å; F160-L164 HydrophobicContact CE1-CD2 4.17Å; F160-L164 HydrophobicContact CE1-CG 3.65Å; F160-L164 PolarHBondContact O-N 2.81Å; F160-L170 HydrophobicContact CZ-CD2 4.35Å; F160-V172 HydrophobicContact CE2-CB 4.49Å; F160-V172 HydrophobicContact CE2-CG1 4.07Å; F160-V172 HydrophobicContact CE2-CG2 3.89Å; F160-V172 HydrophobicContact CZ-CG2 4.19Å; F160-A200 HydrophobicContact CD2-CB 4.23Å; F160-A200 HydrophobicContact CE2-CB 4.34Å; F160-A204 WeakPolarHBondContact CB-O 2.97Å; F160-L205 HydrophobicContact CD2-CD2 4.32Å; F160-L205 HydrophobicContact CE2-CD2 3.61Å; F160-L205 HydrophobicContact CZ-CD2 3.75Å; F160-P206 HydrophobicContact CD1-CG 3.81Å; F160-P206 VanDerWaalsContact CE1-CD 3.46Å; F160-P206 HydrophobicContact CE1-CG 3.74Å; F160-F220 HydrophobicContact CE1-CE1 4.42Å; F160-F220 HydrophobicContact CE1-CZ 4.39Å; F160-F220 HydrophobicContact CE2-CE2 4.39Å; F160-F220 HydrophobicContact CZ-CD1 4.49Å; F160-F220 HydrophobicContact CZ-CD2 4.01Å; F160-F220 HydrophobicContact CZ-CE1 4.14Å; F160-F220 AromaticContact CZ-CE2 3.61Å; F160-F220 HydrophobicContact CZ-CE2 3.61Å; F160-F220 HydrophobicContact CZ-CG 4.44Å; F160-F220 AromaticContact CZ-CZ 3.69Å; F160-F220 HydrophobicContact CZ-CZ 3.69Å
161	E	93.9	Very high	95.2	Very high	75 Å²	75	65.4 Å²	65.4	35%	0.35	33%	0.326	S	S	.	.	H	α-helix	trans	-61	-36.2	176.9	-73.5	176.7	-171.1	0	0	112.6	K157 K165	K157-E161 VanDerWaalsContact CE-OE1 3.29Å; K157-E161 WeakPolarHBondContact CE-OE1 3.44Å; K157-E161 WeakPolarHBondContact O-CB 3.42Å; K157-E161 WeakPolarHBondContact O-CG 3.43Å; K157-E161 PolarHBondContact O-N 2.84Å; E161-K165 WeakPolarHBondContact O-CG 3.44Å; E161-K165 PolarHBondContact O-N 3.48Å
162	H	94.4	Very high	95.2	Very high	104 Å²	104	64 Å²	64	48%	0.481	32%	0.318	S	S	.	.	H	α-helix	trans	-64.7	-42.5	174.7	-175.3	83.4	0	0	0	111.6	Q158 M159 F160 K165 R166	Q158-H162 WeakPolarHBondContact O-CB 3.24Å; Q158-H162 PolarHBondContact O-N 3.45Å; M159-H162 PolarHBondContact O-N 3.42Å; F160-H162 VanDerWaalsContact C-N 3.29Å; F160-H162 PolarHBondContact O-N 3.35Å; H162-K165 PolarHBondContact O-N 2.89Å; H162-R166 PolarHBondContact O-N 3.07Å
163	M	94.6	Very high	95.3	Very high	40 Å²	40	62.1 Å²	62.1	20%	0.197	31%	0.311	C	S	.	.	H	α-helix	trans	-69.8	-40.1	178.8	-68.8	-57.4	147.8	0	0	112.4	L154 M159 F160 K165 R166 H167 L170 F198	L154-M163 HydrophobicContact CD2-CB 4.34Å; L154-M163 HydrophobicContact CD2-CG 3.7Å; M159-M163 WeakPolarHBondContact O-CG 3.27Å; M159-M163 PolarHBondContact O-N 3.29Å; F160-M163 PolarHBondContact O-N 2.93Å; F160-M163 VanDerWaalsContact O-N 3.12Å; M163-K165 PolarHBondContact O-N 2.86Å; M163-R166 PolarHBondContact O-N 2.71Å; M163-H167 PolarHBondContact O-CD2 3.4Å; M163-H167 PolarHBondContact O-N 3.25Å; M163-L170 HydrophobicContact CB-CD1 4.13Å; M163-L170 HydrophobicContact CB-CD2 4.47Å; M163-F198 HydrophobicContact CG-CE1 4.21Å; M163-F198 HydrophobicContact SD-CE1 4.37Å
164	L	92.8	Very high	95.3	Very high	57 Å²	57	58.9 Å²	58.9	30%	0.298	28%	0.284	S	S	.	.	H	α-helix	trans	-57.7	-30.9	171.9	-81.2	-178.1	0	0	0	113.5	F160 L170 P206 F220	F160-L164 HydrophobicContact CD1-CD1 3.69Å; F160-L164 HydrophobicContact CD1-CG 3.92Å; F160-L164 HydrophobicContact CE1-CD1 3.39Å; F160-L164 HydrophobicContact CE1-CD2 4.17Å; F160-L164 HydrophobicContact CE1-CG 3.65Å; F160-L164 PolarHBondContact O-N 2.81Å; L164-L170 HydrophobicContact CD2-CB 4.29Å; L164-L170 HydrophobicContact CD2-CD2 3.83Å; L164-L170 HydrophobicContact CG-CD2 4.19Å; L164-P206 HydrophobicContact CD1-CG 4.21Å; L164-F220 HydrophobicContact CD2-CB 3.46Å; L164-F220 VanDerWaalsContact CD2-CB 3.46Å; L164-F220 HydrophobicContact CD2-CD1 4.22Å; L164-F220 HydrophobicContact CD2-CG 3.87Å
165	K	93	Very high	95.2	Very high	177 Å²	177	60 Å²	60	77%	0.77	30%	0.297	S	S	*	.	H	α-helix	trans	-81.4	-21.2	177.4	-73.5	173.4	-176.6	172.2	0	113.4	E161 H162 M163	E161-K165 WeakPolarHBondContact O-CG 3.44Å; E161-K165 PolarHBondContact O-N 3.48Å; H162-K165 PolarHBondContact O-N 2.89Å; M163-K165 PolarHBondContact O-N 2.86Å
166	R	92.8	Very high	95.1	Very high	181 Å²	181	59.3 Å²	59.3	68%	0.683	30%	0.299	S	S	*	.	H	α-helix	trans	-94.5	-23.6	-175.8	-171.1	175.2	179.9	100.2	5.6	112.4	H162 M163	H162-R166 PolarHBondContact O-N 3.07Å; M163-R166 PolarHBondContact O-N 2.71Å
167	H	92.8	Very high	95.1	Very high	30 Å²	30	64.1 Å²	64.1	14%	0.139	32%	0.316	C	S	.	.			trans	-125.5	130.9	-175.6	-62.3	-74	0	0	0	110.5	M163 V169 L170 Y196	M163-H167 PolarHBondContact O-CD2 3.4Å; M163-H167 PolarHBondContact O-N 3.25Å; H167-V169 VanDerWaalsContact C-N 3.28Å; H167-V169 PolarHBondContact O-N 3.45Å; H167-L170 HydrophobicContact CB-CD1 4.22Å; H167-Y196 AromaticContact CE1-CD2 3.62Å; H167-Y196 AromaticContact CE1-CE2 3.59Å; H167-Y196 AromaticContact ND1-CD2 3.9Å
168	D	93.6	Very high	95.2	Very high	109 Å²	109	62.1 Å²	62.1	58%	0.583	31%	0.31	S	S	*	.	S	Bend	trans	-71.8	-25.4	177.8	-60.7	-39.2	0	0	0	112.8	K221 Q246	D168-K221 WeakPolarHBondContact O-CA 3.49Å; D168-K221 WeakPolarHBondContact O-CB 3.5Å; D168-Q246 HydrophobicContact CB-CG 3.83Å; D168-Q246 VanDerWaalsContact CB-NE2 3.31Å; D168-Q246 VanDerWaalsContact CG-NE2 3.26Å; D168-Q246 PolarHBondContact OD2-NE2 2.94Å
169	V	95.9	Very high	95.3	Very high	16 Å²	16	59 Å²	59	10%	0.097	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133	127	177.5	-174.1	0	0	0	0	109.1	H167 F171 V219 F220 K221 Q246	H167-V169 VanDerWaalsContact C-N 3.28Å; H167-V169 PolarHBondContact O-N 3.45Å; V169-F171 HydrophobicContact CG1-CD2 4.4Å; V169-F171 HydrophobicContact CG1-CE2 3.91Å; V169-F171 HydrophobicContact CG1-CZ 4.35Å; V169-V219 HydrophobicContact CG1-CG2 3.56Å; V169-F220 WeakPolarHBondContact CA-O 3.21Å; V169-K221 HydrophobicContact CB-CB 4.41Å; V169-K221 HydrophobicContact CG1-CB 4.36Å; V169-K221 HydrophobicContact CG1-CD 4.35Å; V169-K221 HydrophobicContact CG2-CB 3.98Å; V169-K221 HydrophobicContact CG2-CD 4.22Å; V169-Q246 HydrophobicContact CG2-CG 4.16Å
170	L	96.8	Very high	95.4	Very high	0 Å²	0	57 Å²	57	0%	0	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	109.9	-177.1	-162.3	83.2	0	0	0	110.3	L154 F160 M163 L164 H167 V172 F198 V219 F220	L154-L170 HydrophobicContact CD1-CD2 4.36Å; F160-L170 HydrophobicContact CZ-CD2 4.35Å; M163-L170 HydrophobicContact CB-CD1 4.13Å; M163-L170 HydrophobicContact CB-CD2 4.47Å; L164-L170 HydrophobicContact CD2-CB 4.29Å; L164-L170 HydrophobicContact CD2-CD2 3.83Å; L164-L170 HydrophobicContact CG-CD2 4.19Å; H167-L170 HydrophobicContact CB-CD1 4.22Å; L170-V172 HydrophobicContact CD2-CG2 3.69Å; L170-V172 HydrophobicContact CG-CG2 3.91Å; L170-F198 HydrophobicContact CD1-CD2 3.36Å; L170-F198 HydrophobicContact CD1-CE2 3.11Å; L170-F198 HydrophobicContact CD1-CG 4.21Å; L170-F198 HydrophobicContact CD1-CZ 3.79Å; L170-F198 HydrophobicContact CG-CD2 3.8Å; L170-F198 HydrophobicContact CG-CE2 4.06Å; L170-V219 CarbonylContact O-C 3.56Å; L170-V219 WeakPolarHBondContact O-CA 3.21Å; L170-F220 HydrophobicContact CB-CB 4.23Å; L170-F220 PolarHBondContact N-O 3.24Å; L170-F220 PolarHBondContact O-N 2.91Å
171	F	98.4	Very high	95.5	Very high	0 Å²	0	58.8 Å²	58.8	0%	0	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	128	170.6	-68.6	-82.1	0	0	0	110	V169 Y184 T195 F197 F198 V219 W239 V240 E243 R244	V169-F171 HydrophobicContact CG1-CD2 4.4Å; V169-F171 HydrophobicContact CG1-CE2 3.91Å; V169-F171 HydrophobicContact CG1-CZ 4.35Å; F171-Y184 VanDerWaalsContact C-OH 3.3Å; F171-Y184 HydrophobicContact CB-CE2 4.42Å; F171-Y184 PolarHBondContact O-OH 3.37Å; F171-T195 HydrophobicContact CD2-CG2 3.86Å; F171-T195 HydrophobicContact CE2-CG2 3.86Å; F171-F197 HydrophobicContact CB-CD1 4.08Å; F171-F197 HydrophobicContact CB-CE1 4.4Å; F171-F197 HydrophobicContact CG-CE1 4.5Å; F171-F198 PolarHBondContact O-N 2.71Å; F171-V219 HydrophobicContact CD1-CB 3.69Å; F171-V219 HydrophobicContact CD1-CG2 3.81Å; F171-V219 HydrophobicContact CE1-CB 3.61Å; F171-V219 HydrophobicContact CE1-CG1 4.42Å; F171-V219 HydrophobicContact CE1-CG2 3.57Å; F171-V219 HydrophobicContact CE2-CG2 4.28Å; F171-V219 HydrophobicContact CG-CG2 4.29Å; F171-V219 HydrophobicContact CZ-CB 4.37Å; F171-V219 HydrophobicContact CZ-CG2 3.83Å; F171-W239 HydrophobicContact CD1-CH2 4.3Å; F171-W239 AromaticContact CD1-CZ3 3.75Å; F171-W239 HydrophobicContact CD1-CZ3 3.75Å; F171-W239 HydrophobicContact CE1-CE3 4.1Å; F171-W239 HydrophobicContact CE1-CH2 4.14Å; F171-W239 AromaticContact CE1-CZ3 3.62Å; F171-W239 HydrophobicContact CE1-CZ3 3.62Å; F171-V240 HydrophobicContact CD1-CG2 4.14Å; F171-V240 HydrophobicContact CD2-CG1 4.36Å; F171-V240 HydrophobicContact CE1-CB 4.26Å; F171-V240 HydrophobicContact CE1-CG1 4.2Å; F171-V240 HydrophobicContact CE1-CG2 3.99Å; F171-V240 HydrophobicContact CE2-CG1 3.96Å; F171-V240 HydrophobicContact CZ-CB 4.28Å; F171-V240 HydrophobicContact CZ-CG1 3.86Å; F171-V240 HydrophobicContact CZ-CG2 4.47Å; F171-E243 HydrophobicContact CE1-CB 4.09Å; F171-E243 HydrophobicContact CZ-CB 3.99Å; F171-R244 HydrophobicContact CE2-CB 3.89Å; F171-R244 HydrophobicContact CZ-CB 4.19Å
172	V	98.4	Very high	95.7	Very high	0 Å²	0	61.2 Å²	61.2	0%	0	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	125.2	-177.3	-169.3	0	0	0	0	110.4	F160 L170 V174 F198 A200 V218 F220	F160-V172 HydrophobicContact CE2-CB 4.49Å; F160-V172 HydrophobicContact CE2-CG1 4.07Å; F160-V172 HydrophobicContact CE2-CG2 3.89Å; F160-V172 HydrophobicContact CZ-CG2 4.19Å; L170-V172 HydrophobicContact CD2-CG2 3.69Å; L170-V172 HydrophobicContact CG-CG2 3.91Å; V172-V174 HydrophobicContact CG1-CG2 3.92Å; V172-F198 CarbonylContact C-O 3.54Å; V172-F198 WeakPolarHBondContact CA-O 3.31Å; V172-F198 HydrophobicContact CG2-CB 4.26Å; V172-A200 HydrophobicContact CG1-CB 3.8Å; V172-V218 PolarHBondContact N-O 3.05Å; V172-V218 PolarHBondContact O-N 2.85Å; V172-F220 HydrophobicContact CB-CD2 4.49Å; V172-F220 HydrophobicContact CB-CE2 4.09Å; V172-F220 HydrophobicContact CG2-CD2 3.83Å; V172-F220 HydrophobicContact CG2-CE2 3.83Å
173	Y	98.5	Very high	95.9	Very high	2 Å²	2	60.4 Å²	60.4	1%	0.008	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	127.6	162.1	179.5	-90.7	0	0	0	110.7	G175 A176 S178 L180 K181 Y184 F198 S199 A200 P215 V217	Y173-G175 WeakPolarHBondContact CE1-O 3.23Å; Y173-A176 PolarHBondContact OH-O 3.34Å; Y173-S178 PolarHBondContact OH-OG 3.47Å; Y173-L180 HydrophobicContact CE2-CB 4.47Å; Y173-L180 HydrophobicContact CE2-CD2 4.44Å; Y173-L180 HydrophobicContact CE2-CG 4.21Å; Y173-K181 HydrophobicContact CD1-CD 4.11Å; Y173-K181 HydrophobicContact CD1-CG 4.02Å; Y173-K181 HydrophobicContact CD2-CB 4.37Å; Y173-K181 HydrophobicContact CD2-CG 4.33Å; Y173-K181 HydrophobicContact CE1-CB 4.02Å; Y173-K181 HydrophobicContact CE1-CD 3.6Å; Y173-K181 HydrophobicContact CE1-CG 3.72Å; Y173-K181 HydrophobicContact CE2-CB 3.73Å; Y173-K181 HydrophobicContact CE2-CG 4.08Å; Y173-K181 HydrophobicContact CG-CG 4.31Å; Y173-Y184 HydrophobicContact CD2-CD1 4.48Å; Y173-Y184 HydrophobicContact CD2-CG 4.32Å; Y173-Y184 HydrophobicContact CG-CD1 4.31Å; Y173-F198 PolarHBondContact N-O 2.81Å; Y173-S199 CarbonylContact O-C 3.58Å; Y173-S199 VanDerWaalsContact O-CA 3.24Å; Y173-S199 WeakPolarHBondContact O-CA 3.34Å; Y173-A200 PolarHBondContact O-N 3.47Å; Y173-P215 HydrophobicContact CE2-CB 4.06Å; Y173-P215 WeakPolarHBondContact OH-CB 3.44Å; Y173-V217 HydrophobicContact CD2-CG2 3.94Å
174	V	97.9	Very high	96.1	Very high	0 Å²	0	58.5 Å²	58.5	0%	0	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	120.9	178.4	-170.9	0	0	0	0	109.5	V172 A200 E202 L205 L211 L214 P215 A216	V172-V174 HydrophobicContact CG1-CG2 3.92Å; V174-A200 WeakPolarHBondContact CA-O 3.48Å; V174-E202 HydrophobicContact CG1-CB 4.46Å; V174-L205 HydrophobicContact CG1-CD1 4.05Å; V174-L205 HydrophobicContact CG2-CD1 4.29Å; V174-L205 HydrophobicContact CG2-CD2 4.06Å; V174-L211 HydrophobicContact CB-CD1 3.89Å; V174-L211 HydrophobicContact CG1-CD1 4.01Å; V174-L211 HydrophobicContact CG2-CD1 3.96Å; V174-L214 HydrophobicContact CB-CD2 4.06Å; V174-L214 HydrophobicContact CG1-CD2 3.75Å; V174-P215 CarbonylContact O-C 3.49Å; V174-P215 VanDerWaalsContact O-CA 3.27Å; V174-P215 WeakPolarHBondContact O-CA 3.45Å; V174-A216 PolarHBondContact N-O 3.38Å; V174-A216 PolarHBondContact O-N 2.89Å
175	G	94	Very high	96.3	Very high	28 Å²	28	58.5 Å²	58.5	29%	0.289	30%	0.3	S	S	.	.	S	Bend	trans	137.4	-175.7	176	0	0	0	0	0	114.7	Y173	Y173-G175 WeakPolarHBondContact CE1-O 3.23Å
176	A	93.5	Very high	96.5	Very high	79 Å²	79	55.4 Å²	55.4	65%	0.653	29%	0.292	S	S	*	.	S	Bend	trans	-80.4	177.1	177	0	0	0	0	0	112.1	Y173 S178	Y173-A176 PolarHBondContact OH-O 3.34Å; A176-S178 PolarHBondContact O-N 2.9Å
177	E	95.8	Very high	96.8	Very high	146 Å²	146	46.9 Å²	46.9	68%	0.682	26%	0.26	S	S	*	.	S	Bend	trans	-54.3	136.4	174.1	-62.3	-57.9	138.9	0	0	112.2	K181	E177-K181 IonicContact OE1-NZ 3.72Å; E177-K181 PolarHBondContact OE1-NZ 3.05Å; E177-K181 WeakPolarHBondContact OE2-CD 3.15Å; E177-K181 IonicContact OE2-NZ 2.71Å
178	S	96.8	Very high	97	Very high	22 Å²	22	45.4 Å²	45.4	15%	0.154	25%	0.253	C	S	.	.			trans	-163.8	164.9	-179.6	64.2	0	0	0	0	111.8	Y173 A176 L180 K181 E182 P215	Y173-S178 PolarHBondContact OH-OG 3.47Å; A176-S178 PolarHBondContact O-N 2.9Å; S178-L180 PolarHBondContact O-N 3.05Å; S178-L180 PolarHBondContact OG-N 2.97Å; S178-K181 WeakPolarHBondContact O-CA 3.06Å; S178-K181 VanDerWaalsContact O-CB 3.24Å; S178-K181 WeakPolarHBondContact O-CB 3.42Å; S178-K181 PolarHBondContact O-N 3.33Å; S178-K181 PolarHBondContact OG-N 2.96Å; S178-E182 PolarHBondContact O-N 3.08Å; S178-P215 WeakPolarHBondContact OG-CG 3.39Å
179	P	97.1	Very high	97.1	Very high	95 Å²	95	43 Å²	43	62%	0.617	25%	0.245	S	C	*	.	H	α-helix	trans	-57.4	-31.2	171.5	-25.3	35.2	0	0	0	113.4	K181 E182 K183	P179-K181 VanDerWaalsContact C-N 3.28Å; P179-K181 PolarHBondContact O-N 2.82Å; P179-E182 PolarHBondContact O-N 3.23Å; P179-K183 PolarHBondContact O-N 3.01Å; P179-K183 VanDerWaalsContact O-N 3.13Å
180	L	97.3	Very high	97	Very high	37 Å²	37	48.1 Å²	48.1	19%	0.194	27%	0.267	C	S	.	.	H	α-helix	trans	-64.7	-34.9	174.3	-179.3	61.4	0	0	0	111.5	Y173 S178 K183 Y184 V217 Y228	Y173-L180 HydrophobicContact CE2-CB 4.47Å; Y173-L180 HydrophobicContact CE2-CD2 4.44Å; Y173-L180 HydrophobicContact CE2-CG 4.21Å; S178-L180 PolarHBondContact O-N 3.05Å; S178-L180 PolarHBondContact OG-N 2.97Å; L180-K183 PolarHBondContact O-N 3.33Å; L180-Y184 WeakPolarHBondContact O-CB 3.4Å; L180-Y184 PolarHBondContact O-N 2.76Å; L180-V217 HydrophobicContact CD1-CG2 4.17Å; L180-V217 HydrophobicContact CD2-CG2 4.2Å; L180-V217 HydrophobicContact CG-CG2 4.08Å; L180-Y228 HydrophobicContact CD1-CD1 4.31Å; L180-Y228 HydrophobicContact CD1-CE1 4.14Å
181	K	97.7	Very high	97	Very high	37 Å²	37	48.6 Å²	48.6	16%	0.161	27%	0.27	C	S	.	.	H	α-helix	trans	-66.6	-39.5	176.7	-163.1	173.9	176.5	177.6	0	112.1	Y173 E177 S178 P179 Y184 N185	Y173-K181 HydrophobicContact CD1-CD 4.11Å; Y173-K181 HydrophobicContact CD1-CG 4.02Å; Y173-K181 HydrophobicContact CD2-CB 4.37Å; Y173-K181 HydrophobicContact CD2-CG 4.33Å; Y173-K181 HydrophobicContact CE1-CB 4.02Å; Y173-K181 HydrophobicContact CE1-CD 3.6Å; Y173-K181 HydrophobicContact CE1-CG 3.72Å; Y173-K181 HydrophobicContact CE2-CB 3.73Å; Y173-K181 HydrophobicContact CE2-CG 4.08Å; Y173-K181 HydrophobicContact CG-CG 4.31Å; E177-K181 IonicContact OE1-NZ 3.72Å; E177-K181 PolarHBondContact OE1-NZ 3.05Å; E177-K181 WeakPolarHBondContact OE2-CD 3.15Å; E177-K181 IonicContact OE2-NZ 2.71Å; S178-K181 WeakPolarHBondContact O-CA 3.06Å; S178-K181 VanDerWaalsContact O-CB 3.24Å; S178-K181 WeakPolarHBondContact O-CB 3.42Å; S178-K181 PolarHBondContact O-N 3.33Å; S178-K181 PolarHBondContact OG-N 2.96Å; P179-K181 VanDerWaalsContact C-N 3.28Å; P179-K181 PolarHBondContact O-N 2.82Å; K181-Y184 PolarHBondContact O-N 3.36Å; K181-N185 VanDerWaalsContact O-CG 3.25Å; K181-N185 PolarHBondContact O-N 2.93Å; K181-N185 PolarHBondContact O-ND2 3.48Å
182	E	97.8	Very high	96.9	Very high	126 Å²	126	48.8 Å²	48.8	59%	0.589	27%	0.271	S	S	*	.	H	α-helix	trans	-61.5	-51.3	174.8	-65	177.7	174	0	0	110.3	S178 P179 Y184 N185 D186	S178-E182 PolarHBondContact O-N 3.08Å; P179-E182 PolarHBondContact O-N 3.23Å; E182-Y184 PolarHBondContact O-N 2.92Å; E182-N185 WeakPolarHBondContact O-CB 3.42Å; E182-N185 PolarHBondContact O-N 2.77Å; E182-D186 PolarHBondContact O-N 3.23Å
183	K	97.9	Very high	96.7	Very high	86 Å²	86	50 Å²	50	37%	0.374	28%	0.279	S	S	.	.	H	α-helix	trans	-54.2	-40.2	173.3	-68.8	-179.6	-178.8	178	0	112.2	P179 L180 D186 A187 E230 L236	P179-K183 PolarHBondContact O-N 3.01Å; P179-K183 VanDerWaalsContact O-N 3.13Å; L180-K183 PolarHBondContact O-N 3.33Å; K183-D186 PolarHBondContact O-N 3.23Å; K183-A187 WeakPolarHBondContact O-CB 3.42Å; K183-A187 PolarHBondContact O-N 3.4Å; K183-E230 VanDerWaalsContact NZ-CD 3.33Å; K183-E230 IonicContact NZ-OE1 2.66Å; K183-E230 PolarHBondContact NZ-OE1 3.24Å; K183-E230 IonicContact NZ-OE2 3.21Å; K183-E230 PolarHBondContact NZ-OE2 2.96Å; K183-L236 HydrophobicContact CB-CD2 4.23Å
184	Y	98.5	Very high	96.5	Very high	0 Å²	0	52.4 Å²	52.4	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-67.7	-40.1	177.6	-177.4	-99	0	0	0	112.7	V151 F171 Y173 L180 K181 E182 D186 A188 F197 F198 V217 L236	V151-Y184 HydrophobicContact CB-CE1 4.49Å; V151-Y184 HydrophobicContact CG1-CE1 3.91Å; V151-Y184 HydrophobicContact CG2-CD1 3.97Å; V151-Y184 HydrophobicContact CG2-CE1 3.71Å; F171-Y184 VanDerWaalsContact C-OH 3.3Å; F171-Y184 HydrophobicContact CB-CE2 4.42Å; F171-Y184 PolarHBondContact O-OH 3.37Å; Y173-Y184 HydrophobicContact CD2-CD1 4.48Å; Y173-Y184 HydrophobicContact CD2-CG 4.32Å; Y173-Y184 HydrophobicContact CG-CD1 4.31Å; L180-Y184 WeakPolarHBondContact O-CB 3.4Å; L180-Y184 PolarHBondContact O-N 2.76Å; K181-Y184 PolarHBondContact O-N 3.36Å; E182-Y184 PolarHBondContact O-N 2.92Å; Y184-D186 VanDerWaalsContact C-N 3.34Å; Y184-A188 WeakPolarHBondContact O-CB 3.07Å; Y184-A188 PolarHBondContact O-N 3.49Å; Y184-F197 HydrophobicContact CE1-CB 4.21Å; Y184-F197 HydrophobicContact CE1-CD1 4.43Å; Y184-F197 AromaticContact CE2-CD1 3.83Å; Y184-F197 HydrophobicContact CE2-CD1 3.83Å; Y184-F197 AromaticContact CZ-CD1 3.69Å; Y184-F197 WeakPolarHBondContact OH-CB 3.47Å; Y184-F198 WeakPolarHBondContact CE1-O 3.33Å; Y184-F198 PolarHBondContact OH-N 3.34Å; Y184-F198 VanDerWaalsContact OH-N 3.1Å; Y184-F198 PolarHBondContact OH-O 2.95Å; Y184-V217 HydrophobicContact CD2-CB 4.37Å; Y184-V217 HydrophobicContact CD2-CG1 3.69Å; Y184-V217 HydrophobicContact CD2-CG2 3.67Å; Y184-V217 HydrophobicContact CE2-CG1 3.65Å; Y184-V217 HydrophobicContact CE2-CG2 4.37Å; Y184-V217 HydrophobicContact CG-CG2 4.22Å; Y184-L236 HydrophobicContact CD2-CD2 4.19Å
185	N	98.2	Very high	96.3	Very high	57 Å²	57	53 Å²	53	31%	0.305	29%	0.292	S	S	.	.	H	α-helix	trans	-65.7	-37.8	175.6	-70.7	-29.6	0	0	0	112	V151 K181 E182 A188 S189	V151-N185 WeakPolarHBondContact CG2-OD1 3.31Å; K181-N185 VanDerWaalsContact O-CG 3.25Å; K181-N185 PolarHBondContact O-N 2.93Å; K181-N185 PolarHBondContact O-ND2 3.48Å; E182-N185 WeakPolarHBondContact O-CB 3.42Å; E182-N185 PolarHBondContact O-N 2.77Å; N185-A188 PolarHBondContact O-N 2.84Å; N185-S189 WeakPolarHBondContact O-CB 3.31Å; N185-S189 PolarHBondContact O-N 3.41Å; N185-S189 PolarHBondContact O-OG 2.82Å
186	D	97.5	Very high	96.4	Very high	113 Å²	113	53 Å²	53	60%	0.604	28%	0.283	S	S	*	.	H	α-helix	trans	-64.7	-51	175.7	-67.8	-19.5	0	0	0	110.5	E182 K183 Y184 A188 S189 E190	E182-D186 PolarHBondContact O-N 3.23Å; K183-D186 PolarHBondContact O-N 3.23Å; Y184-D186 VanDerWaalsContact C-N 3.34Å; D186-A188 VanDerWaalsContact C-N 3.3Å; D186-A188 PolarHBondContact O-N 3.43Å; D186-S189 PolarHBondContact O-N 3.42Å; D186-S189 VanDerWaalsContact O-N 3.12Å; D186-E190 PolarHBondContact O-N 2.83Å
187	A	97.9	Very high	96.7	Very high	1 Å²	1	49.2 Å²	49.2	1%	0.008	25%	0.252	C	S	.	.	H	α-helix	trans	-59.1	-40.8	175.5	0	0	0	0	0	111.8	K183 S189 E190 L191 L236	K183-A187 WeakPolarHBondContact O-CB 3.42Å; K183-A187 PolarHBondContact O-N 3.4Å; A187-S189 VanDerWaalsContact C-N 3.35Å; A187-S189 PolarHBondContact O-N 2.95Å; A187-E190 PolarHBondContact O-N 3.01Å; A187-L191 VanDerWaalsContact O-CB 3.27Å; A187-L191 WeakPolarHBondContact O-CB 3.44Å; A187-L191 WeakPolarHBondContact O-CG 3.17Å; A187-L191 PolarHBondContact O-N 3.07Å; A187-L236 HydrophobicContact CB-CD2 4.36Å; A187-L236 HydrophobicContact CB-CG 4.32Å
188	A	97.9	Very high	96.8	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-63.2	-41	176.1	0	0	0	0	0	111.8	A150 V151 Y184 N185 D186 I192 F197	A150-A188 HydrophobicContact CB-CB 4.28Å; V151-A188 HydrophobicContact CG2-CB 3.53Å; Y184-A188 WeakPolarHBondContact O-CB 3.07Å; Y184-A188 PolarHBondContact O-N 3.49Å; N185-A188 PolarHBondContact O-N 2.84Å; D186-A188 VanDerWaalsContact C-N 3.3Å; D186-A188 PolarHBondContact O-N 3.43Å; A188-I192 WeakPolarHBondContact O-CA 3.45Å; A188-I192 VanDerWaalsContact O-CB 3.24Å; A188-I192 WeakPolarHBondContact O-CB 3.41Å; A188-I192 PolarHBondContact O-N 2.91Å; A188-F197 HydrophobicContact CB-CB 3.72Å; A188-F197 HydrophobicContact CB-CD1 3.75Å; A188-F197 HydrophobicContact CB-CD2 3.74Å; A188-F197 HydrophobicContact CB-CE1 4.32Å; A188-F197 HydrophobicContact CB-CE2 4.32Å; A188-F197 HydrophobicContact CB-CG 3.44Å; A188-F197 VanDerWaalsContact CB-CG 3.44Å
189	S	95.4	Very high	96.9	Very high	58 Å²	58	42.5 Å²	42.5	41%	0.406	22%	0.221	S	C	.	.	H	α-helix	trans	-67.8	-37.4	179.4	-59.5	0	0	0	0	112.3	N185 D186 A187	N185-S189 WeakPolarHBondContact O-CB 3.31Å; N185-S189 PolarHBondContact O-N 3.41Å; N185-S189 PolarHBondContact O-OG 2.82Å; D186-S189 PolarHBondContact O-N 3.42Å; D186-S189 VanDerWaalsContact O-N 3.12Å; A187-S189 VanDerWaalsContact C-N 3.35Å; A187-S189 PolarHBondContact O-N 2.95Å
190	E	94.6	Very high	96.9	Very high	123 Å²	123	38.5 Å²	38.5	58%	0.575	20%	0.195	S	C	*	.	H	α-helix	trans	-69.5	-47.2	175.8	-176.9	-175	-175.6	0	0	111.8	D186 A187 S237	D186-E190 PolarHBondContact O-N 2.83Å; A187-E190 PolarHBondContact O-N 3.01Å; E190-S237 PolarHBondContact OE2-OG 2.81Å
191	L	96.1	Very high	96.8	Very high	10 Å²	10	39.3 Å²	39.3	5%	0.052	20%	0.204	C	C	.	.	H	α-helix	trans	-101.7	6	-167	-60.6	173.5	0	0	0	114.1	A187 V193 Y194 T195 F197 V240	A187-L191 VanDerWaalsContact O-CB 3.27Å; A187-L191 WeakPolarHBondContact O-CB 3.44Å; A187-L191 WeakPolarHBondContact O-CG 3.17Å; A187-L191 PolarHBondContact O-N 3.07Å; L191-V193 PolarHBondContact O-N 2.96Å; L191-V193 VanDerWaalsContact O-N 3.07Å; L191-Y194 HydrophobicContact CD2-CD2 3.85Å; L191-Y194 HydrophobicContact CD2-CE2 4.14Å; L191-Y194 PolarHBondContact O-N 3.01Å; L191-T195 PolarHBondContact O-N 2.91Å; L191-T195 VanDerWaalsContact O-N 3.15Å; L191-F197 HydrophobicContact CB-CE2 4.06Å; L191-F197 HydrophobicContact CB-CZ 3.72Å; L191-V240 HydrophobicContact CD1-CB 3.8Å; L191-V240 HydrophobicContact CD1-CG1 3.57Å
192	I	95.8	Very high	96.6	Very high	4 Å²	4	43.2 Å²	43.2	2%	0.021	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.4	-26	177	-166.7	59.4	0	0	0	112.9	Y128 R145 V146 A188 Y194 F197	Y128-I192 HydrophobicContact CD1-CG2 4.33Å; Y128-I192 HydrophobicContact CE1-CG2 3.87Å; R145-I192 VanDerWaalsContact CD-O 3.24Å; R145-I192 WeakPolarHBondContact CD-O 3.15Å; R145-I192 HydrophobicContact CG-CD1 3.88Å; R145-I192 HydrophobicContact CG-CG1 4.22Å; R145-I192 WeakPolarHBondContact CG-O 3.5Å; R145-I192 PolarHBondContact NE-O 3.1Å; V146-I192 HydrophobicContact CG1-CG2 4.39Å; A188-I192 WeakPolarHBondContact O-CA 3.45Å; A188-I192 VanDerWaalsContact O-CB 3.24Å; A188-I192 WeakPolarHBondContact O-CB 3.41Å; A188-I192 PolarHBondContact O-N 2.91Å; I192-Y194 PolarHBondContact O-N 3.12Å; I192-F197 HydrophobicContact CD1-CD2 4.32Å
193	V	94.8	Very high	96.3	Very high	27 Å²	27	45.9 Å²	45.9	16%	0.164	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.8	-23.6	176.7	-61.5	0	0	0	0	112.5	Y128 F142 R145 V146 L191	Y128-V193 HydrophobicContact CD1-CG1 3.47Å; Y128-V193 VanDerWaalsContact CD1-CG1 3.47Å; Y128-V193 HydrophobicContact CE1-CG1 4.41Å; Y128-V193 HydrophobicContact CG-CG1 4.07Å; F142-V193 HydrophobicContact CE2-CB 4.28Å; F142-V193 HydrophobicContact CE2-CG1 4.3Å; R145-V193 PolarHBondContact NH2-O 3.09Å; V146-V193 HydrophobicContact CG2-CG1 4.43Å; L191-V193 PolarHBondContact O-N 2.96Å; L191-V193 VanDerWaalsContact O-N 3.07Å
194	Y	93.6	Very high	96.2	Very high	52 Å²	52	41.9 Å²	41.9	20%	0.204	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103	-40.1	-177.5	-60.6	-66.6	0	0	0	113.2	L191 I192 E261	L191-Y194 HydrophobicContact CD2-CD2 3.85Å; L191-Y194 HydrophobicContact CD2-CE2 4.14Å; L191-Y194 PolarHBondContact O-N 3.01Å; I192-Y194 PolarHBondContact O-N 3.12Å; Y194-E261 PolarHBondContact OH-OE2 3.47Å
195	T	94.9	Very high	95.9	Very high	12 Å²	12	42.5 Å²	42.5	7%	0.074	22%	0.222	C	C	.	.			trans	-149.8	162.8	-173	-167.2	0	0	0	0	113.5	F171 L191 F197 V240 R244	F171-T195 HydrophobicContact CD2-CG2 3.86Å; F171-T195 HydrophobicContact CE2-CG2 3.86Å; L191-T195 PolarHBondContact O-N 2.91Å; L191-T195 VanDerWaalsContact O-N 3.15Å; T195-F197 HydrophobicContact CG2-CD2 4.44Å; T195-F197 HydrophobicContact CG2-CE1 4.36Å; T195-F197 HydrophobicContact CG2-CE2 3.58Å; T195-F197 HydrophobicContact CG2-CZ 3.52Å; T195-F197 WeakPolarHBondContact O-CD2 3.32Å; T195-F197 VanDerWaalsContact O-CE2 3.29Å; T195-F197 WeakPolarHBondContact O-CE2 3.46Å; T195-V240 HydrophobicContact CG2-CG1 4.22Å; T195-R244 HydrophobicContact CG2-CB 4.32Å
196	Y	96.2	Very high	95.5	Very high	27 Å²	27	40.4 Å²	40.4	11%	0.106	21%	0.211	C	C	.	.			trans	-86.4	144.1	177.6	-74.9	-92.3	0	0	0	111.5	E141 R145 H167 F198	E141-Y196 HydrophobicContact CG-CE2 4.26Å; E141-Y196 PolarHBondContact O-OH 2.88Å; R145-Y196 HydrophobicContact CB-CD1 4.41Å; R145-Y196 HydrophobicContact CB-CE1 3.73Å; R145-Y196 HydrophobicContact CB-CE2 3.96Å; R145-Y196 VanDerWaalsContact CB-CZ 3.46Å; R145-Y196 WeakPolarHBondContact CB-OH 2.91Å; R145-Y196 HydrophobicContact CG-CD1 3.85Å; R145-Y196 HydrophobicContact CG-CD2 4.09Å; R145-Y196 HydrophobicContact CG-CE1 3.68Å; R145-Y196 HydrophobicContact CG-CE2 3.92Å; R145-Y196 HydrophobicContact CG-CG 4.04Å; H167-Y196 AromaticContact CE1-CD2 3.62Å; H167-Y196 AromaticContact CE1-CE2 3.59Å; H167-Y196 AromaticContact ND1-CD2 3.9Å; Y196-F198 HydrophobicContact CD1-CZ 4.28Å; Y196-F198 HydrophobicContact CG-CE2 4.32Å; Y196-F198 HydrophobicContact CG-CZ 4.31Å
197	F	98.3	Very high	95	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	141.9	176.8	-61.6	-96.8	0	0	0	110.9	A150 V151 R152 F171 Y184 A188 L191 I192 T195 V240	A150-F197 WeakPolarHBondContact O-CB 3.31Å; V151-F197 HydrophobicContact CG2-CB 4.16Å; R152-F197 PolarHBondContact N-O 3.12Å; F171-F197 HydrophobicContact CB-CD1 4.08Å; F171-F197 HydrophobicContact CB-CE1 4.4Å; F171-F197 HydrophobicContact CG-CE1 4.5Å; Y184-F197 HydrophobicContact CE1-CB 4.21Å; Y184-F197 HydrophobicContact CE1-CD1 4.43Å; Y184-F197 AromaticContact CE2-CD1 3.83Å; Y184-F197 HydrophobicContact CE2-CD1 3.83Å; Y184-F197 AromaticContact CZ-CD1 3.69Å; Y184-F197 WeakPolarHBondContact OH-CB 3.47Å; A188-F197 HydrophobicContact CB-CB 3.72Å; A188-F197 HydrophobicContact CB-CD1 3.75Å; A188-F197 HydrophobicContact CB-CD2 3.74Å; A188-F197 HydrophobicContact CB-CE1 4.32Å; A188-F197 HydrophobicContact CB-CE2 4.32Å; A188-F197 HydrophobicContact CB-CG 3.44Å; A188-F197 VanDerWaalsContact CB-CG 3.44Å; L191-F197 HydrophobicContact CB-CE2 4.06Å; L191-F197 HydrophobicContact CB-CZ 3.72Å; I192-F197 HydrophobicContact CD1-CD2 4.32Å; T195-F197 HydrophobicContact CG2-CD2 4.44Å; T195-F197 HydrophobicContact CG2-CE1 4.36Å; T195-F197 HydrophobicContact CG2-CE2 3.58Å; T195-F197 HydrophobicContact CG2-CZ 3.52Å; T195-F197 WeakPolarHBondContact O-CD2 3.32Å; T195-F197 VanDerWaalsContact O-CE2 3.29Å; T195-F197 WeakPolarHBondContact O-CE2 3.46Å; F197-V240 HydrophobicContact CE1-CG1 3.74Å; F197-V240 HydrophobicContact CE1-CG2 4.19Å; F197-V240 HydrophobicContact CZ-CG1 3.67Å
198	F	98.3	Very high	94.5	Very high	4 Å²	4	48.4 Å²	48.4	2%	0.018	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	161.3	-174.4	-61.3	-90.6	0	0	0	112	R152 L154 M163 L170 F171 V172 Y173 Y184 Y196	R152-F198 HydrophobicContact CB-CD1 3.62Å; R152-F198 HydrophobicContact CB-CE1 3.85Å; R152-F198 CarbonylContact O-C 3.54Å; R152-F198 WeakPolarHBondContact O-CA 3.13Å; L154-F198 HydrophobicContact CD1-CB 3.72Å; L154-F198 HydrophobicContact CD1-CD1 3.95Å; L154-F198 HydrophobicContact CD1-CG 3.98Å; L154-F198 HydrophobicContact CD2-CD1 3.66Å; L154-F198 HydrophobicContact CD2-CE1 4.14Å; L154-F198 HydrophobicContact CG-CB 4.04Å; L154-F198 HydrophobicContact CG-CD1 3.81Å; L154-F198 HydrophobicContact CG-CG 4.26Å; M163-F198 HydrophobicContact CG-CE1 4.21Å; M163-F198 HydrophobicContact SD-CE1 4.37Å; L170-F198 HydrophobicContact CD1-CD2 3.36Å; L170-F198 HydrophobicContact CD1-CE2 3.11Å; L170-F198 HydrophobicContact CD1-CG 4.21Å; L170-F198 HydrophobicContact CD1-CZ 3.79Å; L170-F198 HydrophobicContact CG-CD2 3.8Å; L170-F198 HydrophobicContact CG-CE2 4.06Å; F171-F198 PolarHBondContact O-N 2.71Å; V172-F198 CarbonylContact C-O 3.54Å; V172-F198 WeakPolarHBondContact CA-O 3.31Å; V172-F198 HydrophobicContact CG2-CB 4.26Å; Y173-F198 PolarHBondContact N-O 2.81Å; Y184-F198 WeakPolarHBondContact CE1-O 3.33Å; Y184-F198 PolarHBondContact OH-N 3.34Å; Y184-F198 VanDerWaalsContact OH-N 3.1Å; Y184-F198 PolarHBondContact OH-O 2.95Å; Y196-F198 HydrophobicContact CD1-CZ 4.28Å; Y196-F198 HydrophobicContact CG-CE2 4.32Å; Y196-F198 HydrophobicContact CG-CZ 4.31Å
199	S	98.3	Very high	94.1	Very high	24 Å²	24	49.4 Å²	49.4	17%	0.168	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	145.1	169.9	56.2	0	0	0	0	109.9	R152 A153 L154 Y173	R152-S199 PolarHBondContact O-N 3.25Å; A153-S199 CarbonylContact C-O 3.55Å; A153-S199 WeakPolarHBondContact CA-O 3.42Å; L154-S199 PolarHBondContact N-O 3.08Å; Y173-S199 CarbonylContact O-C 3.58Å; Y173-S199 VanDerWaalsContact O-CA 3.24Å; Y173-S199 WeakPolarHBondContact O-CA 3.34Å
200	A	97.3	Very high	93.7	Very high	10 Å²	10	51.6 Å²	51.6	8%	0.083	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	154	-179.2	0	0	0	0	0	110.3	L154 F160 V172 Y173 V174 A204	L154-A200 HydrophobicContact CB-CB 4.22Å; F160-A200 HydrophobicContact CD2-CB 4.23Å; F160-A200 HydrophobicContact CE2-CB 4.34Å; V172-A200 HydrophobicContact CG1-CB 3.8Å; Y173-A200 PolarHBondContact O-N 3.47Å; V174-A200 WeakPolarHBondContact CA-O 3.48Å; A200-A204 HydrophobicContact CB-CB 4.22Å
201	S	94.9	Very high	93.6	Very high	55 Å²	55	46.8 Å²	46.8	39%	0.385	26%	0.256	S	S	.	.			trans	-77.7	160.8	160.6	59.2	0	0	0	0	109.6	E203 A204	S201-E203 PolarHBondContact O-N 3.02Å; S201-A204 PolarHBondContact O-N 3.47Å
202	E	94	Very high	93.2	Very high	118 Å²	118	52 Å²	52	55%	0.551	29%	0.293	S	S	*	.	G	3₁₀ helix	trans	-56.7	-37.1	173.7	-171.2	178.6	-175.6	0	0	111.7	V174 A204 L205 L214	V174-E202 HydrophobicContact CG1-CB 4.46Å; E202-A204 PolarHBondContact O-N 3.46Å; E202-L205 WeakPolarHBondContact O-CB 3.16Å; E202-L205 PolarHBondContact O-N 3.07Å; E202-L205 VanDerWaalsContact O-N 3.08Å; E202-L214 HydrophobicContact CB-CD1 4.14Å; E202-L214 HydrophobicContact CG-CD1 4.2Å; E202-L214 VanDerWaalsContact OE2-CD1 3.25Å; E202-L214 WeakPolarHBondContact OE2-CD1 3.18Å
203	E	92.6	Very high	93	Very high	183 Å²	183	59.1 Å²	59.1	86%	0.855	33%	0.327	S	S	*	.	G	3₁₀ helix	trans	-64.2	-22.1	177.4	-60.3	177.5	-179	0	0	114.1	S201 L205	S201-E203 PolarHBondContact O-N 3.02Å; E203-L205 VanDerWaalsContact C-N 3.33Å
204	A	94.4	Very high	93	Very high	1 Å²	1	61.4 Å²	61.4	1%	0.008	34%	0.337	C	S	.	.	G	3₁₀ helix	trans	-85.3	-8	177.7	0	0	0	0	0	112.6	L154 K157 F160 A200 S201 E202	L154-A204 WeakPolarHBondContact O-CB 3.45Å; K157-A204 WeakPolarHBondContact CA-O 3.42Å; F160-A204 WeakPolarHBondContact CB-O 2.97Å; A200-A204 HydrophobicContact CB-CB 4.22Å; S201-A204 PolarHBondContact O-N 3.47Å; E202-A204 PolarHBondContact O-N 3.46Å
205	L	93.1	Very high	93.1	Very high	13 Å²	13	61.3 Å²	61.3	7%	0.068	34%	0.343	C	S	.	.	S	Bend	trans	-73.1	152.8	177.8	-64.2	-178.6	0	0	0	112	F160 V174 E202 E203 V209 L211 F220	F160-L205 HydrophobicContact CD2-CD2 4.32Å; F160-L205 HydrophobicContact CE2-CD2 3.61Å; F160-L205 HydrophobicContact CZ-CD2 3.75Å; V174-L205 HydrophobicContact CG1-CD1 4.05Å; V174-L205 HydrophobicContact CG2-CD1 4.29Å; V174-L205 HydrophobicContact CG2-CD2 4.06Å; E202-L205 WeakPolarHBondContact O-CB 3.16Å; E202-L205 PolarHBondContact O-N 3.07Å; E202-L205 VanDerWaalsContact O-N 3.08Å; E203-L205 VanDerWaalsContact C-N 3.33Å; L205-V209 HydrophobicContact CD1-CG1 4.32Å; L205-L211 HydrophobicContact CD1-CD1 3.71Å; L205-L211 HydrophobicContact CD1-CG 4.05Å; L205-F220 HydrophobicContact CD2-CZ 4.23Å
206	P	89.3	Confident	93.3	Very high	14 Å²	14	61 Å²	61	9%	0.091	34%	0.342	C	S	.	.			trans	-61.3	143.8	168.6	-19.5	32.2	0	0	0	111.1	F160 L164 S208 V209	F160-P206 HydrophobicContact CD1-CG 3.81Å; F160-P206 VanDerWaalsContact CE1-CD 3.46Å; F160-P206 HydrophobicContact CE1-CG 3.74Å; L164-P206 HydrophobicContact CD1-CG 4.21Å; P206-S208 PolarHBondContact O-N 3.32Å; P206-V209 HydrophobicContact CB-CG2 4.13Å; P206-V209 HydrophobicContact CG-CG2 4.19Å; P206-V209 WeakPolarHBondContact O-CB 3.46Å; P206-V209 PolarHBondContact O-N 3.41Å
207	E	88.3	Confident	93.4	Very high	174 Å²	174	59.8 Å²	59.8	81%	0.813	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.3	-21.5	-179.7	-74.8	163.8	-139.8	0	0	114	K157 V209	K157-E207 IonicContact NZ-OE1 3.63Å; K157-E207 PolarHBondContact NZ-OE1 3Å; E207-V209 PolarHBondContact O-N 3.49Å
208	S	86.4	Confident	93.3	Very high	108 Å²	108	59.8 Å²	59.8	76%	0.755	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.7	-9.2	175.5	58.2	0	0	0	0	113.7	P206	P206-S208 PolarHBondContact O-N 3.32Å
209	V	89.6	Confident	93.3	Very high	21 Å²	21	59.6 Å²	59.6	13%	0.127	34%	0.336	C	S	.	.			trans	-107.9	114.4	-175.5	-177.6	0	0	0	0	108.1	L205 P206 E207 L211 F220	L205-V209 HydrophobicContact CD1-CG1 4.32Å; P206-V209 HydrophobicContact CB-CG2 4.13Å; P206-V209 HydrophobicContact CG-CG2 4.19Å; P206-V209 WeakPolarHBondContact O-CB 3.46Å; P206-V209 PolarHBondContact O-N 3.41Å; E207-V209 PolarHBondContact O-N 3.49Å; V209-L211 HydrophobicContact CG1-CD2 4.15Å; V209-F220 HydrophobicContact CG1-CE1 3.98Å; V209-F220 HydrophobicContact CG1-CZ 4.12Å; V209-F220 HydrophobicContact CG2-CE1 3.87Å
210	S	88.1	Confident	93.2	Very high	103 Å²	103	59 Å²	59	72%	0.72	33%	0.331	S	S	*	.			trans	-117.8	119.4	172.9	59.2	0	0	0	0	109.1
211	L	91.9	Very high	93.1	Very high	23 Å²	23	58.8 Å²	58.8	12%	0.12	33%	0.328	C	S	.	.			trans	-91.9	135	176.1	-57.3	-179.3	0	0	0	109.3	V174 L205 V209 L214 A216 V218	V174-L211 HydrophobicContact CB-CD1 3.89Å; V174-L211 HydrophobicContact CG1-CD1 4.01Å; V174-L211 HydrophobicContact CG2-CD1 3.96Å; L205-L211 HydrophobicContact CD1-CD1 3.71Å; L205-L211 HydrophobicContact CD1-CG 4.05Å; V209-L211 HydrophobicContact CG1-CD2 4.15Å; L211-L214 HydrophobicContact CB-CD2 4.39Å; L211-L214 HydrophobicContact CD1-CD2 3.94Å; L211-A216 HydrophobicContact CD1-CB 4.3Å; L211-V218 HydrophobicContact CD1-CG2 3.88Å; L211-V218 HydrophobicContact CD2-CG2 3.72Å; L211-V218 HydrophobicContact CG-CG2 4.48Å
212	S	87.4	Confident	93	Very high	119 Å²	119	59.6 Å²	59.6	83%	0.832	33%	0.328	S	S	*	.	S	Bend	trans	-73.5	-33	-178.7	49.9	0	0	0	0	112.7
213	E	91.8	Very high	92.8	Very high	154 Å²	154	58.3 Å²	58.3	72%	0.72	35%	0.346	S	S	*	.	S	Bend	trans	-138.1	145.4	-175.4	-60.8	-171.2	173.2	0	0	110.5
214	L	94.1	Very high	92.7	Very high	74 Å²	74	52.4 Å²	52.4	39%	0.387	33%	0.325	S	S	.	.	S	Bend	trans	-131.2	142.8	173.2	-69.1	178.9	0	0	0	109.9	V174 E202 L211 A216	V174-L214 HydrophobicContact CB-CD2 4.06Å; V174-L214 HydrophobicContact CG1-CD2 3.75Å; E202-L214 HydrophobicContact CB-CD1 4.14Å; E202-L214 HydrophobicContact CG-CD1 4.2Å; E202-L214 VanDerWaalsContact OE2-CD1 3.25Å; E202-L214 WeakPolarHBondContact OE2-CD1 3.18Å; L211-L214 HydrophobicContact CB-CD2 4.39Å; L211-L214 HydrophobicContact CD1-CD2 3.94Å; L214-A216 HydrophobicContact CD2-CB 4.4Å
215	P	96.7	Very high	92.7	Very high	51 Å²	51	55.1 Å²	55.1	33%	0.331	34%	0.338	S	S	.	.	S	Bend	cis	-73.6	155	-0.7	31.4	-35.6	0	0	0	113.4	Y173 V174 S178	Y173-P215 HydrophobicContact CE2-CB 4.06Å; Y173-P215 WeakPolarHBondContact OH-CB 3.44Å; V174-P215 CarbonylContact O-C 3.49Å; V174-P215 VanDerWaalsContact O-CA 3.27Å; V174-P215 WeakPolarHBondContact O-CA 3.45Å; S178-P215 WeakPolarHBondContact OG-CG 3.39Å
216	A	97.8	Very high	92.8	Very high	5 Å²	5	57.2 Å²	57.2	4%	0.041	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	151.4	179.9	0	0	0	0	0	112.1	V174 L211 L214 V218 T227	V174-A216 PolarHBondContact N-O 3.38Å; V174-A216 PolarHBondContact O-N 2.89Å; L211-A216 HydrophobicContact CD1-CB 4.3Å; L214-A216 HydrophobicContact CD2-CB 4.4Å; A216-V218 HydrophobicContact CB-CG2 4.15Å; A216-T227 HydrophobicContact CB-CG2 4.14Å
217	V	98.3	Very high	93.1	Very high	1 Å²	1	59.6 Å²	59.6	1%	0.006	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	125.7	163.8	-179.9	0	0	0	0	107.8	Y173 L180 Y184 Y228 L236 W239	Y173-V217 HydrophobicContact CD2-CG2 3.94Å; L180-V217 HydrophobicContact CD1-CG2 4.17Å; L180-V217 HydrophobicContact CD2-CG2 4.2Å; L180-V217 HydrophobicContact CG-CG2 4.08Å; Y184-V217 HydrophobicContact CD2-CB 4.37Å; Y184-V217 HydrophobicContact CD2-CG1 3.69Å; Y184-V217 HydrophobicContact CD2-CG2 3.67Å; Y184-V217 HydrophobicContact CE2-CG1 3.65Å; Y184-V217 HydrophobicContact CE2-CG2 4.37Å; Y184-V217 HydrophobicContact CG-CG2 4.22Å; V217-Y228 PolarHBondContact O-N 3.11Å; V217-L236 HydrophobicContact CB-CD1 4.36Å; V217-L236 HydrophobicContact CG1-CD1 4.14Å; V217-L236 HydrophobicContact CG2-CD1 4.4Å; V217-L236 HydrophobicContact CG2-CD2 4.4Å; V217-W239 HydrophobicContact CG1-CH2 4.47Å; V217-W239 HydrophobicContact CG1-CZ3 3.88Å
218	V	97.8	Very high	93.5	Very high	0 Å²	0	52.3 Å²	52.3	0%	0	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	135.5	-173.9	-172.1	0	0	0	0	109.2	V172 L211 A216 F220 H225 F226	V172-V218 PolarHBondContact N-O 3.05Å; V172-V218 PolarHBondContact O-N 2.85Å; L211-V218 HydrophobicContact CD1-CG2 3.88Å; L211-V218 HydrophobicContact CD2-CG2 3.72Å; L211-V218 HydrophobicContact CG-CG2 4.48Å; A216-V218 HydrophobicContact CB-CG2 4.15Å; V218-F220 HydrophobicContact CB-CE2 3.91Å; V218-F220 HydrophobicContact CB-CZ 4.35Å; V218-F220 HydrophobicContact CG1-CD2 4.2Å; V218-F220 HydrophobicContact CG1-CE1 4.42Å; V218-F220 HydrophobicContact CG1-CE2 3.63Å; V218-F220 HydrophobicContact CG1-CZ 3.76Å; V218-H225 HydrophobicContact CG1-CB 3.8Å; V218-F226 CarbonylContact C-O 3.47Å; V218-F226 WeakPolarHBondContact CA-O 3.45Å
219	V	97.8	Very high	93.9	Very high	0 Å²	0	50.2 Å²	50.2	0%	0	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	126.6	168.9	64	0	0	0	0	109.4	V169 L170 F171 K221 H225 F226 W239 E243	V169-V219 HydrophobicContact CG1-CG2 3.56Å; L170-V219 CarbonylContact O-C 3.56Å; L170-V219 WeakPolarHBondContact O-CA 3.21Å; F171-V219 HydrophobicContact CD1-CB 3.69Å; F171-V219 HydrophobicContact CD1-CG2 3.81Å; F171-V219 HydrophobicContact CE1-CB 3.61Å; F171-V219 HydrophobicContact CE1-CG1 4.42Å; F171-V219 HydrophobicContact CE1-CG2 3.57Å; F171-V219 HydrophobicContact CE2-CG2 4.28Å; F171-V219 HydrophobicContact CG-CG2 4.29Å; F171-V219 HydrophobicContact CZ-CB 4.37Å; F171-V219 HydrophobicContact CZ-CG2 3.83Å; V219-K221 HydrophobicContact CG2-CD 4.41Å; V219-K221 HydrophobicContact CG2-CG 4.49Å; V219-H225 CarbonylContact O-C 3.2Å; V219-H225 WeakPolarHBondContact O-CA 3.38Å; V219-F226 HydrophobicContact CG1-CB 3.86Å; V219-F226 HydrophobicContact CG1-CD2 4.11Å; V219-F226 HydrophobicContact CG1-CG 4.49Å; V219-F226 PolarHBondContact N-O 3.49Å; V219-F226 PolarHBondContact O-N 2.9Å; V219-W239 HydrophobicContact CB-CH2 3.79Å; V219-W239 HydrophobicContact CB-CZ2 4.37Å; V219-W239 HydrophobicContact CB-CZ3 4.49Å; V219-W239 HydrophobicContact CG1-CH2 3.62Å; V219-W239 HydrophobicContact CG1-CZ2 3.68Å; V219-E243 HydrophobicContact CG1-CB 4.25Å
220	F	96.4	Very high	94.2	Very high	11 Å²	11	54 Å²	54	5%	0.048	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	122.1	172.5	-61.7	-97.4	0	0	0	108.7	F160 L164 V169 L170 V172 L205 V209 V218 S224 H225	F160-F220 HydrophobicContact CE1-CE1 4.42Å; F160-F220 HydrophobicContact CE1-CZ 4.39Å; F160-F220 HydrophobicContact CE2-CE2 4.39Å; F160-F220 HydrophobicContact CZ-CD1 4.49Å; F160-F220 HydrophobicContact CZ-CD2 4.01Å; F160-F220 HydrophobicContact CZ-CE1 4.14Å; F160-F220 AromaticContact CZ-CE2 3.61Å; F160-F220 HydrophobicContact CZ-CE2 3.61Å; F160-F220 HydrophobicContact CZ-CG 4.44Å; F160-F220 AromaticContact CZ-CZ 3.69Å; F160-F220 HydrophobicContact CZ-CZ 3.69Å; L164-F220 HydrophobicContact CD2-CB 3.46Å; L164-F220 VanDerWaalsContact CD2-CB 3.46Å; L164-F220 HydrophobicContact CD2-CD1 4.22Å; L164-F220 HydrophobicContact CD2-CG 3.87Å; V169-F220 WeakPolarHBondContact CA-O 3.21Å; L170-F220 HydrophobicContact CB-CB 4.23Å; L170-F220 PolarHBondContact N-O 3.24Å; L170-F220 PolarHBondContact O-N 2.91Å; V172-F220 HydrophobicContact CB-CD2 4.49Å; V172-F220 HydrophobicContact CB-CE2 4.09Å; V172-F220 HydrophobicContact CG2-CD2 3.83Å; V172-F220 HydrophobicContact CG2-CE2 3.83Å; L205-F220 HydrophobicContact CD2-CZ 4.23Å; V209-F220 HydrophobicContact CG1-CE1 3.98Å; V209-F220 HydrophobicContact CG1-CZ 4.12Å; V209-F220 HydrophobicContact CG2-CE1 3.87Å; V218-F220 HydrophobicContact CB-CE2 3.91Å; V218-F220 HydrophobicContact CB-CZ 4.35Å; V218-F220 HydrophobicContact CG1-CD2 4.2Å; V218-F220 HydrophobicContact CG1-CE1 4.42Å; V218-F220 HydrophobicContact CG1-CE2 3.63Å; V218-F220 HydrophobicContact CG1-CZ 3.76Å; F220-S224 WeakPolarHBondContact CA-O 3.2Å; F220-H225 HydrophobicContact CD1-CB 3.61Å; F220-H225 HydrophobicContact CE1-CB 3.66Å; F220-H225 HydrophobicContact CG-CB 4.21Å; F220-H225 HydrophobicContact CZ-CB 4.32Å
221	K	94.9	Very high	94.4	Very high	7 Å²	7	59.9 Å²	59.9	3%	0.03	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-165.2	163.5	177.1	64.6	177.1	-174.7	-176.2	0	111.1	D168 V169 V219 G223 S224 F226 E243 F245	D168-K221 WeakPolarHBondContact O-CA 3.49Å; D168-K221 WeakPolarHBondContact O-CB 3.5Å; V169-K221 HydrophobicContact CB-CB 4.41Å; V169-K221 HydrophobicContact CG1-CB 4.36Å; V169-K221 HydrophobicContact CG1-CD 4.35Å; V169-K221 HydrophobicContact CG2-CB 3.98Å; V169-K221 HydrophobicContact CG2-CD 4.22Å; V219-K221 HydrophobicContact CG2-CD 4.41Å; V219-K221 HydrophobicContact CG2-CG 4.49Å; K221-G223 PolarHBondContact O-N 2.93Å; K221-S224 PolarHBondContact N-O 3.05Å; K221-S224 CarbonylContact O-C 3.5Å; K221-S224 PolarHBondContact O-N 2.98Å; K221-F226 HydrophobicContact CG-CD2 4.34Å; K221-F226 HydrophobicContact CG-CE2 4.1Å; K221-E243 WeakPolarHBondContact CE-OE2 3.49Å; K221-E243 PolarHBondContact NZ-O 3.25Å; K221-E243 IonicContact NZ-OE2 2.74Å; K221-E243 PolarHBondContact NZ-OE2 3.3Å; K221-F245 WeakPolarHBondContact CD-O 3.35Å; K221-F245 PolarHBondContact NZ-O 2.65Å
222	D	91.7	Very high	94.5	Very high	71 Å²	71	65.5 Å²	65.5	38%	0.38	36%	0.356	S	S	.	.	T	Hydrogen-bonded Turn	trans	55.3	26.5	175.6	-51.3	-44.4	0	0	0	113.7	S224 G247	D222-S224 VanDerWaalsContact C-N 3.25Å; D222-S224 PolarHBondContact O-N 3.41Å; D222-G247 PolarHBondContact OD1-N 3.27Å; D222-G247 VanDerWaalsContact OD1-N 3.11Å; D222-G247 PolarHBondContact OD2-N 2.91Å
223	G	90.1	Very high	94.7	Very high	91 Å²	91	61.4 Å²	61.4	94%	0.938	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	72.6	11.6	-175.3	0	0	0	0	0	115.1	K221	K221-G223 PolarHBondContact O-N 2.93Å
224	S	91.8	Very high	94.9	Very high	59 Å²	59	55.9 Å²	55.9	41%	0.413	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	-173.4	177.3	-163.2	0	0	0	0	111.3	F220 K221 D222	F220-S224 WeakPolarHBondContact CA-O 3.2Å; K221-S224 PolarHBondContact N-O 3.05Å; K221-S224 CarbonylContact O-C 3.5Å; K221-S224 PolarHBondContact O-N 2.98Å; D222-S224 VanDerWaalsContact C-N 3.25Å; D222-S224 PolarHBondContact O-N 3.41Å
225	H	94.3	Very high	94.9	Very high	58 Å²	58	55.8 Å²	55.8	27%	0.269	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139	151	172.7	65.9	-74.6	0	0	0	111.5	V218 V219 F220	V218-H225 HydrophobicContact CG1-CB 3.8Å; V219-H225 CarbonylContact O-C 3.2Å; V219-H225 WeakPolarHBondContact O-CA 3.38Å; F220-H225 HydrophobicContact CD1-CB 3.61Å; F220-H225 HydrophobicContact CE1-CB 3.66Å; F220-H225 HydrophobicContact CG-CB 4.21Å; F220-H225 HydrophobicContact CZ-CB 4.32Å
226	F	94	Very high	95	Very high	58 Å²	58	53.8 Å²	53.8	25%	0.254	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	131.8	178.7	-50.8	-81.6	0	0	0	109.3	V218 V219 K221	V218-F226 CarbonylContact C-O 3.47Å; V218-F226 WeakPolarHBondContact CA-O 3.45Å; V219-F226 HydrophobicContact CG1-CB 3.86Å; V219-F226 HydrophobicContact CG1-CD2 4.11Å; V219-F226 HydrophobicContact CG1-CG 4.49Å; V219-F226 PolarHBondContact N-O 3.49Å; V219-F226 PolarHBondContact O-N 2.9Å; K221-F226 HydrophobicContact CG-CD2 4.34Å; K221-F226 HydrophobicContact CG-CE2 4.1Å
227	T	96.3	Very high	94.9	Very high	64 Å²	64	55 Å²	55	39%	0.393	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	135.8	179.6	-54.9	0	0	0	0	109.2	A216	A216-T227 HydrophobicContact CB-CG2 4.14Å
228	Y	97.2	Very high	94.8	Very high	20 Å²	20	57.4 Å²	57.4	8%	0.078	33%	0.326	C	S	.	.			trans	-68.6	133.7	175	167.5	-105.6	0	0	0	111.5	L180 V217 E230 D233 G234 L236 W239	L180-Y228 HydrophobicContact CD1-CD1 4.31Å; L180-Y228 HydrophobicContact CD1-CE1 4.14Å; V217-Y228 PolarHBondContact O-N 3.11Å; Y228-E230 HydrophobicContact CE1-CB 4.05Å; Y228-D233 HydrophobicContact CD2-CB 3.83Å; Y228-D233 HydrophobicContact CE2-CB 3.82Å; Y228-G234 PolarHBondContact OH-O 2.76Å; Y228-L236 HydrophobicContact CD1-CD1 3.83Å; Y228-L236 HydrophobicContact CD2-CD1 3.78Å; Y228-L236 HydrophobicContact CE1-CB 4.41Å; Y228-L236 HydrophobicContact CE1-CD1 3.98Å; Y228-L236 HydrophobicContact CE2-CB 4.25Å; Y228-L236 HydrophobicContact CE2-CD1 3.9Å; Y228-L236 HydrophobicContact CG-CD1 3.7Å; Y228-L236 PolarHBondContact OH-N 2.96Å; Y228-W239 HydrophobicContact CD2-CB 3.81Å; Y228-W239 AromaticContact CD2-CD2 3.69Å; Y228-W239 HydrophobicContact CD2-CD2 3.69Å; Y228-W239 AromaticContact CD2-CE3 3.98Å; Y228-W239 HydrophobicContact CD2-CE3 3.98Å; Y228-W239 AromaticContact CD2-CG 3.63Å; Y228-W239 HydrophobicContact CD2-CG 3.63Å; Y228-W239 HydrophobicContact CE2-CB 3.93Å; Y228-W239 HydrophobicContact CE2-CG 4.25Å; Y228-W239 HydrophobicContact CG-CD2 4.32Å; Y228-W239 HydrophobicContact CG-CE3 4.32Å
229	D	95.2	Very high	94.7	Very high	64 Å²	64	57.6 Å²	57.6	34%	0.342	33%	0.327	S	S	.	.			trans	-122.5	117.6	172.1	-175.9	-66.6	0	0	0	110.4	Y231 E232 D233	D229-Y231 PolarHBondContact O-N 2.7Å; D229-Y231 WeakPolarHBondContact OD1-CA 3.39Å; D229-Y231 VanDerWaalsContact OD1-CB 3.31Å; D229-Y231 WeakPolarHBondContact OD1-CB 3.26Å; D229-Y231 PolarHBondContact OD1-N 2.97Å; D229-E232 HydrophobicContact CB-CB 4.22Å; D229-E232 HydrophobicContact CB-CG 4.41Å; D229-E232 PolarHBondContact O-N 2.81Å; D229-E232 PolarHBondContact OD1-N 2.72Å; D229-D233 PolarHBondContact N-OD2 3.36Å; D229-D233 WeakPolarHBondContact O-CA 3.3Å; D229-D233 WeakPolarHBondContact O-CB 3.39Å; D229-D233 PolarHBondContact O-N 2.85Å
230	E	94.2	Very high	94.7	Very high	102 Å²	102	57.6 Å²	57.6	48%	0.477	33%	0.327	S	S	.	.	H	α-helix	trans	-62.9	-27.3	-175.4	-176.9	163.1	-154.2	0	0	113.5	K183 Y228 G234	K183-E230 VanDerWaalsContact NZ-CD 3.33Å; K183-E230 IonicContact NZ-OE1 2.66Å; K183-E230 PolarHBondContact NZ-OE1 3.24Å; K183-E230 IonicContact NZ-OE2 3.21Å; K183-E230 PolarHBondContact NZ-OE2 2.96Å; Y228-E230 HydrophobicContact CE1-CB 4.05Å; E230-G234 PolarHBondContact O-N 2.74Å
231	Y	93.4	Very high	94.7	Very high	225 Å²	225	58.1 Å²	58.1	88%	0.882	33%	0.33	S	S	*	.	H	α-helix	trans	-79.2	-40.7	178.6	-64.7	-79.6	0	0	0	112.1	D229	D229-Y231 PolarHBondContact O-N 2.7Å; D229-Y231 WeakPolarHBondContact OD1-CA 3.39Å; D229-Y231 VanDerWaalsContact OD1-CB 3.31Å; D229-Y231 WeakPolarHBondContact OD1-CB 3.26Å; D229-Y231 PolarHBondContact OD1-N 2.97Å
232	E	92.6	Very high	94.7	Very high	142 Å²	142	59.9 Å²	59.9	66%	0.664	34%	0.337	S	S	*	.	H	α-helix	trans	-83	-36.2	-178.7	-60.5	-166	160.8	0	0	112.7	D229	D229-E232 HydrophobicContact CB-CB 4.22Å; D229-E232 HydrophobicContact CB-CG 4.41Å; D229-E232 PolarHBondContact O-N 2.81Å; D229-E232 PolarHBondContact OD1-N 2.72Å
233	D	93.4	Very high	94.9	Very high	33 Å²	33	56.8 Å²	56.8	18%	0.176	32%	0.32	C	S	.	.	H	α-helix	trans	-98.8	-15.5	-169	-67.6	-50.1	0	0	0	114.6	Y228 D229 W239 R242	Y228-D233 HydrophobicContact CD2-CB 3.83Å; Y228-D233 HydrophobicContact CE2-CB 3.82Å; D229-D233 PolarHBondContact N-OD2 3.36Å; D229-D233 WeakPolarHBondContact O-CA 3.3Å; D229-D233 WeakPolarHBondContact O-CB 3.39Å; D229-D233 PolarHBondContact O-N 2.85Å; D233-W239 HydrophobicContact CB-CB 4.06Å; D233-W239 VanDerWaalsContact CB-CD1 3.47Å; D233-W239 HydrophobicContact CB-CG 3.95Å; D233-W239 VanDerWaalsContact OD2-CD1 3.3Å; D233-W239 PolarHBondContact OD2-NE1 2.92Å; D233-W239 VanDerWaalsContact OD2-NE1 3.15Å; D233-R242 PolarHBondContact O-NH1 3.02Å; D233-R242 PolarHBondContact O-NH2 3.4Å; D233-R242 IonicContact OD1-NH2 2.74Å
234	G	94.1	Very high	95.2	Very high	38 Å²	38	53.5 Å²	53.5	39%	0.392	28%	0.28	S	S	.	.			trans	75.9	-134.9	-176.3	0	0	0	0	0	111.9	Y228 E230	Y228-G234 PolarHBondContact OH-O 2.76Å; E230-G234 PolarHBondContact O-N 2.74Å
235	S	96	Very high	95.4	Very high	72 Å²	72	51.3 Å²	51.3	50%	0.503	26%	0.263	S	S	.	.	S	Bend	trans	-74.9	144.4	-178.6	74	0	0	0	0	112.4	S237 S238 W239	S235-S237 PolarHBondContact O-N 2.82Å; S235-S238 WeakPolarHBondContact O-CB 3.4Å; S235-S238 PolarHBondContact O-N 2.87Å; S235-S238 VanDerWaalsContact OG-CB 3.24Å; S235-S238 WeakPolarHBondContact OG-CB 3.23Å; S235-S238 PolarHBondContact OG-N 2.76Å; S235-W239 PolarHBondContact O-N 3.12Å
236	L	97.4	Very high	95.5	Very high	9 Å²	9	51.7 Å²	51.7	5%	0.047	26%	0.264	C	S	.	.	H	α-helix	trans	-58.7	-43.2	-179.9	-174.6	60.9	0	0	0	112.7	K183 Y184 A187 V217 Y228 S238 W239 V240	K183-L236 HydrophobicContact CB-CD2 4.23Å; Y184-L236 HydrophobicContact CD2-CD2 4.19Å; A187-L236 HydrophobicContact CB-CD2 4.36Å; A187-L236 HydrophobicContact CB-CG 4.32Å; V217-L236 HydrophobicContact CB-CD1 4.36Å; V217-L236 HydrophobicContact CG1-CD1 4.14Å; V217-L236 HydrophobicContact CG2-CD1 4.4Å; V217-L236 HydrophobicContact CG2-CD2 4.4Å; Y228-L236 HydrophobicContact CD1-CD1 3.83Å; Y228-L236 HydrophobicContact CD2-CD1 3.78Å; Y228-L236 HydrophobicContact CE1-CB 4.41Å; Y228-L236 HydrophobicContact CE1-CD1 3.98Å; Y228-L236 HydrophobicContact CE2-CB 4.25Å; Y228-L236 HydrophobicContact CE2-CD1 3.9Å; Y228-L236 HydrophobicContact CG-CD1 3.7Å; Y228-L236 PolarHBondContact OH-N 2.96Å; L236-S238 VanDerWaalsContact C-N 3.31Å; L236-S238 PolarHBondContact O-N 3.02Å; L236-W239 HydrophobicContact CD1-CE3 3.97Å; L236-W239 HydrophobicContact CD1-CZ3 4.44Å; L236-W239 PolarHBondContact O-N 3.28Å; L236-V240 HydrophobicContact CD1-CG2 4.35Å; L236-V240 HydrophobicContact CG-CG2 4.45Å; L236-V240 WeakPolarHBondContact O-CB 3.5Å; L236-V240 VanDerWaalsContact O-CG2 3.28Å; L236-V240 WeakPolarHBondContact O-CG2 3.42Å; L236-V240 PolarHBondContact O-N 2.93Å
237	S	96.9	Very high	95.5	Very high	30 Å²	30	49.5 Å²	49.5	21%	0.21	26%	0.258	C	S	.	.	H	α-helix	trans	-60.3	-39.6	175.2	-61	0	0	0	0	112.1	E190 S235 N241	E190-S237 PolarHBondContact OE2-OG 2.81Å; S235-S237 PolarHBondContact O-N 2.82Å; S237-N241 WeakPolarHBondContact O-CB 3.35Å; S237-N241 PolarHBondContact O-N 3.1Å
238	S	95.1	Very high	95.6	Very high	51 Å²	51	47.6 Å²	47.6	36%	0.357	24%	0.244	S	C	.	.	H	α-helix	trans	-67.4	-42.6	177.5	-171.5	0	0	0	0	111.5	S235 L236 N241 R242	S235-S238 WeakPolarHBondContact O-CB 3.4Å; S235-S238 PolarHBondContact O-N 2.87Å; S235-S238 VanDerWaalsContact OG-CB 3.24Å; S235-S238 WeakPolarHBondContact OG-CB 3.23Å; S235-S238 PolarHBondContact OG-N 2.76Å; L236-S238 VanDerWaalsContact C-N 3.31Å; L236-S238 PolarHBondContact O-N 3.02Å; S238-N241 PolarHBondContact O-N 2.95Å; S238-R242 WeakPolarHBondContact O-CG 3.16Å; S238-R242 PolarHBondContact O-N 3.42Å; S238-R242 PolarHBondContact OG-NH1 2.89Å
239	W	96.7	Very high	95.6	Very high	4 Å²	4	47.8 Å²	47.8	2%	0.015	25%	0.246	C	C	.	.	H	α-helix	trans	-61.4	-48.5	175.1	-179.8	78.2	0	0	0	112.3	F171 V217 V219 Y228 D233 S235 L236 N241 R242 E243	F171-W239 HydrophobicContact CD1-CH2 4.3Å; F171-W239 AromaticContact CD1-CZ3 3.75Å; F171-W239 HydrophobicContact CD1-CZ3 3.75Å; F171-W239 HydrophobicContact CE1-CE3 4.1Å; F171-W239 HydrophobicContact CE1-CH2 4.14Å; F171-W239 AromaticContact CE1-CZ3 3.62Å; F171-W239 HydrophobicContact CE1-CZ3 3.62Å; V217-W239 HydrophobicContact CG1-CH2 4.47Å; V217-W239 HydrophobicContact CG1-CZ3 3.88Å; V219-W239 HydrophobicContact CB-CH2 3.79Å; V219-W239 HydrophobicContact CB-CZ2 4.37Å; V219-W239 HydrophobicContact CB-CZ3 4.49Å; V219-W239 HydrophobicContact CG1-CH2 3.62Å; V219-W239 HydrophobicContact CG1-CZ2 3.68Å; Y228-W239 HydrophobicContact CD2-CB 3.81Å; Y228-W239 AromaticContact CD2-CD2 3.69Å; Y228-W239 HydrophobicContact CD2-CD2 3.69Å; Y228-W239 AromaticContact CD2-CE3 3.98Å; Y228-W239 HydrophobicContact CD2-CE3 3.98Å; Y228-W239 AromaticContact CD2-CG 3.63Å; Y228-W239 HydrophobicContact CD2-CG 3.63Å; Y228-W239 HydrophobicContact CE2-CB 3.93Å; Y228-W239 HydrophobicContact CE2-CG 4.25Å; Y228-W239 HydrophobicContact CG-CD2 4.32Å; Y228-W239 HydrophobicContact CG-CE3 4.32Å; D233-W239 HydrophobicContact CB-CB 4.06Å; D233-W239 VanDerWaalsContact CB-CD1 3.47Å; D233-W239 HydrophobicContact CB-CG 3.95Å; D233-W239 VanDerWaalsContact OD2-CD1 3.3Å; D233-W239 PolarHBondContact OD2-NE1 2.92Å; D233-W239 VanDerWaalsContact OD2-NE1 3.15Å; S235-W239 PolarHBondContact O-N 3.12Å; L236-W239 HydrophobicContact CD1-CE3 3.97Å; L236-W239 HydrophobicContact CD1-CZ3 4.44Å; L236-W239 PolarHBondContact O-N 3.28Å; W239-N241 VanDerWaalsContact C-N 3.3Å; W239-N241 PolarHBondContact O-N 3.44Å; W239-R242 PolarHBondContact O-N 3.23Å; W239-R242 VanDerWaalsContact O-N 3.11Å; W239-E243 HydrophobicContact CD2-CG 4.19Å; W239-E243 HydrophobicContact CG-CG 4.36Å; W239-E243 HydrophobicContact CZ2-CG 4.22Å; W239-E243 WeakPolarHBondContact O-CB 3.42Å; W239-E243 PolarHBondContact O-N 3.09Å
240	V	97.6	Very high	95.6	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-57.7	-44.8	175.7	171.2	0	0	0	0	110.7	F171 L191 T195 F197 L236 R242 E243 R244	F171-V240 HydrophobicContact CD1-CG2 4.14Å; F171-V240 HydrophobicContact CD2-CG1 4.36Å; F171-V240 HydrophobicContact CE1-CB 4.26Å; F171-V240 HydrophobicContact CE1-CG1 4.2Å; F171-V240 HydrophobicContact CE1-CG2 3.99Å; F171-V240 HydrophobicContact CE2-CG1 3.96Å; F171-V240 HydrophobicContact CZ-CB 4.28Å; F171-V240 HydrophobicContact CZ-CG1 3.86Å; F171-V240 HydrophobicContact CZ-CG2 4.47Å; L191-V240 HydrophobicContact CD1-CB 3.8Å; L191-V240 HydrophobicContact CD1-CG1 3.57Å; T195-V240 HydrophobicContact CG2-CG1 4.22Å; F197-V240 HydrophobicContact CE1-CG1 3.74Å; F197-V240 HydrophobicContact CE1-CG2 4.19Å; F197-V240 HydrophobicContact CZ-CG1 3.67Å; L236-V240 HydrophobicContact CD1-CG2 4.35Å; L236-V240 HydrophobicContact CG-CG2 4.45Å; L236-V240 WeakPolarHBondContact O-CB 3.5Å; L236-V240 VanDerWaalsContact O-CG2 3.28Å; L236-V240 WeakPolarHBondContact O-CG2 3.42Å; L236-V240 PolarHBondContact O-N 2.93Å; V240-R242 VanDerWaalsContact C-N 3.28Å; V240-R242 PolarHBondContact O-N 3.34Å; V240-E243 PolarHBondContact O-N 3.39Å; V240-R244 WeakPolarHBondContact O-CB 3.42Å; V240-R244 PolarHBondContact O-N 3.49Å
241	N	95.6	Very high	95.7	Very high	22 Å²	22	43.7 Å²	43.7	12%	0.118	23%	0.225	C	C	.	.	H	α-helix	trans	-61.4	-36	178.3	-171	44.7	0	0	0	112.5	S237 S238 W239 R244 E261 T262	S237-N241 WeakPolarHBondContact O-CB 3.35Å; S237-N241 PolarHBondContact O-N 3.1Å; S238-N241 PolarHBondContact O-N 2.95Å; W239-N241 VanDerWaalsContact C-N 3.3Å; W239-N241 PolarHBondContact O-N 3.44Å; N241-R244 WeakPolarHBondContact O-CG 3.47Å; N241-R244 PolarHBondContact OD1-NE 2.74Å; N241-E261 PolarHBondContact ND2-O 3.04Å; N241-T262 WeakPolarHBondContact O-CG2 3.33Å
242	R	95.1	Very high	95.6	Very high	45 Å²	45	35.2 Å²	35.2	17%	0.17	20%	0.195	C	C	.	.	H	α-helix	trans	-75.1	-35.3	175.5	-69.5	-171.4	-48.7	-97.6	6.3	113.2	D233 S238 W239 V240 K264	D233-R242 PolarHBondContact O-NH1 3.02Å; D233-R242 PolarHBondContact O-NH2 3.4Å; D233-R242 IonicContact OD1-NH2 2.74Å; S238-R242 WeakPolarHBondContact O-CG 3.16Å; S238-R242 PolarHBondContact O-N 3.42Å; S238-R242 PolarHBondContact OG-NH1 2.89Å; W239-R242 PolarHBondContact O-N 3.23Å; W239-R242 VanDerWaalsContact O-N 3.11Å; V240-R242 VanDerWaalsContact C-N 3.28Å; V240-R242 PolarHBondContact O-N 3.34Å; R242-K264 PolarHBondContact O-NZ 3.46Å
243	E	96	Very high	95.5	Very high	6 Å²	6	29.3 Å²	29.3	3%	0.028	17%	0.172	C	C	.	.	H	α-helix	trans	-94.1	-7.8	-172.4	-67.8	-57.8	137	0	0	114.1	F171 V219 K221 W239 V240 F245 R295 N299	F171-E243 HydrophobicContact CE1-CB 4.09Å; F171-E243 HydrophobicContact CZ-CB 3.99Å; V219-E243 HydrophobicContact CG1-CB 4.25Å; K221-E243 WeakPolarHBondContact CE-OE2 3.49Å; K221-E243 PolarHBondContact NZ-O 3.25Å; K221-E243 IonicContact NZ-OE2 2.74Å; K221-E243 PolarHBondContact NZ-OE2 3.3Å; W239-E243 HydrophobicContact CD2-CG 4.19Å; W239-E243 HydrophobicContact CG-CG 4.36Å; W239-E243 HydrophobicContact CZ2-CG 4.22Å; W239-E243 WeakPolarHBondContact O-CB 3.42Å; W239-E243 PolarHBondContact O-N 3.09Å; V240-E243 PolarHBondContact O-N 3.39Å; E243-F245 PolarHBondContact O-N 2.71Å; E243-R295 IonicContact OE1-NH2 3.77Å; E243-R295 IonicContact OE2-CZ 2.65Å; E243-R295 IonicContact OE2-NH1 2.72Å; E243-R295 IonicContact OE2-NH2 3.68Å; E243-R295 PolarHBondContact OE2-NH2 3Å; E243-N299 PolarHBondContact OE1-ND2 2.9Å
244	R	95.9	Very high	95.4	Very high	22 Å²	22	31.6 Å²	31.6	8%	0.083	18%	0.181	C	C	.	.	S	Bend	trans	-66.9	-5.8	-178.9	71.2	-173.9	-178.9	90.1	-10.6	115.4	F171 T195 V240 N241 E258	F171-R244 HydrophobicContact CE2-CB 3.89Å; F171-R244 HydrophobicContact CZ-CB 4.19Å; T195-R244 HydrophobicContact CG2-CB 4.32Å; V240-R244 WeakPolarHBondContact O-CB 3.42Å; V240-R244 PolarHBondContact O-N 3.49Å; N241-R244 WeakPolarHBondContact O-CG 3.47Å; N241-R244 PolarHBondContact OD1-NE 2.74Å; R244-E258 IonicContact CZ-OE2 2.63Å; R244-E258 IonicContact NH1-OE2 3.77Å; R244-E258 PolarHBondContact NH1-OE2 2.74Å; R244-E258 IonicContact NH2-OE2 2.72Å; R244-E258 PolarHBondContact NH2-OE2 3.39Å; R244-E258 VanDerWaalsContact NH2-OE2 3.08Å
245	F	95.8	Very high	95.3	Very high	13 Å²	13	31.1 Å²	31.1	6%	0.057	17%	0.17	C	C	.	.	S	Bend	trans	-105.3	145.5	177.6	-56.2	-84.5	0	0	0	110.8	K221 E243 L249 E258 L259 T262	K221-F245 WeakPolarHBondContact CD-O 3.35Å; K221-F245 PolarHBondContact NZ-O 2.65Å; E243-F245 PolarHBondContact O-N 2.71Å; F245-L249 HydrophobicContact CB-CD1 4.38Å; F245-L249 HydrophobicContact CD1-CD1 3.84Å; F245-E258 HydrophobicContact CE1-CB 4.46Å; F245-E258 HydrophobicContact CZ-CB 4.13Å; F245-L259 HydrophobicContact CB-CD2 4.46Å; F245-L259 HydrophobicContact CD1-CD2 3.68Å; F245-L259 HydrophobicContact CD2-CD2 3.69Å; F245-L259 HydrophobicContact CE1-CD2 3.66Å; F245-L259 HydrophobicContact CE1-CG 4.21Å; F245-L259 HydrophobicContact CE2-CD2 3.7Å; F245-L259 HydrophobicContact CG-CD2 3.67Å; F245-L259 HydrophobicContact CZ-CD2 3.64Å; F245-L259 HydrophobicContact CZ-CG 4.3Å; F245-T262 HydrophobicContact CD2-CG2 4.15Å; F245-T262 HydrophobicContact CE2-CG2 3.52Å; F245-T262 HydrophobicContact CZ-CG2 4.39Å
246	Q	96.1	Very high	95.2	Very high	65 Å²	65	28 Å²	28	30%	0.304	15%	0.148	S	C	.	.			trans	-58.2	151.8	167.7	-65.5	179.2	58.5	0	0	110	D168 V169 Y248 Q303	D168-Q246 HydrophobicContact CB-CG 3.83Å; D168-Q246 VanDerWaalsContact CB-NE2 3.31Å; D168-Q246 VanDerWaalsContact CG-NE2 3.26Å; D168-Q246 PolarHBondContact OD2-NE2 2.94Å; V169-Q246 HydrophobicContact CG2-CG 4.16Å; Q246-Y248 PolarHBondContact O-N 2.93Å; Q246-Y248 VanDerWaalsContact O-N 3.14Å; Q246-Q303 PolarHBondContact O-NE2 3.44Å
247	G	95.3	Very high	94.9	Very high	12 Å²	12	34.2 Å²	34.2	12%	0.124	17%	0.172	C	C	.	.	S	Bend	trans	-57.3	-29.4	176.8	0	0	0	0	0	112.8	D222 Q303	D222-G247 PolarHBondContact OD1-N 3.27Å; D222-G247 VanDerWaalsContact OD1-N 3.11Å; D222-G247 PolarHBondContact OD2-N 2.91Å; G247-Q303 PolarHBondContact O-NE2 3.27Å
248	Y	97.3	Very high	94.7	Very high	25 Å²	25	34.6 Å²	34.6	10%	0.098	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	128.4	172.1	-175.6	-89.5	0	0	0	110.6	Q246 K284 M287 Q288 A291 F304 H306	Q246-Y248 PolarHBondContact O-N 2.93Å; Q246-Y248 VanDerWaalsContact O-N 3.14Å; Y248-K284 WeakPolarHBondContact OH-CG 3.15Å; Y248-M287 HydrophobicContact CE2-CB 3.75Å; Y248-Q288 HydrophobicContact CD1-CG 3.44Å; Y248-Q288 VanDerWaalsContact CD1-CG 3.44Å; Y248-Q288 HydrophobicContact CD2-CG 3.87Å; Y248-Q288 HydrophobicContact CE1-CG 3.37Å; Y248-Q288 HydrophobicContact CE2-CG 3.85Å; Y248-Q288 HydrophobicContact CG-CG 3.66Å; Y248-A291 HydrophobicContact CD2-CB 4.27Å; Y248-F304 WeakPolarHBondContact CA-O 3.33Å; Y248-F304 HydrophobicContact CD2-CB 4.02Å; Y248-H306 AromaticContact CE1-CE1 3.84Å; Y248-H306 AromaticContact CE1-ND1 3.26Å; Y248-H306 VanDerWaalsContact CE1-ND1 3.26Å; Y248-H306 WeakPolarHBondContact CE1-ND1 3.34Å; Y248-H306 AromaticContact CZ-ND1 3.47Å; Y248-H306 VanDerWaalsContact OH-CB 3.31Å; Y248-H306 WeakPolarHBondContact OH-CB 3.48Å; Y248-H306 PolarHBondContact OH-ND1 3.34Å
249	L	96.9	Very high	94.7	Very high	23 Å²	23	32.2 Å²	32.2	12%	0.12	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	168.5	-178.7	76.1	176.8	0	0	0	113.8	F245 I251 T255 Q303 F304 G305 H306	F245-L249 HydrophobicContact CB-CD1 4.38Å; F245-L249 HydrophobicContact CD1-CD1 3.84Å; L249-I251 HydrophobicContact CD2-CD1 4.23Å; L249-I251 HydrophobicContact CD2-CG1 3.92Å; L249-I251 HydrophobicContact CG-CG1 4.06Å; L249-T255 HydrophobicContact CD1-CG2 3.66Å; L249-T255 HydrophobicContact CG-CG2 4.39Å; L249-Q303 HydrophobicContact CD2-CG 3.95Å; L249-Q303 VanDerWaalsContact CD2-NE2 3.34Å; L249-F304 WeakPolarHBondContact CD2-O 3.49Å; L249-F304 PolarHBondContact N-O 3.02Å; L249-G305 CarbonylContact O-C 3.52Å; L249-G305 WeakPolarHBondContact O-CA 3.03Å; L249-H306 PolarHBondContact O-N 3.32Å; L249-H306 PolarHBondContact O-ND1 3.09Å
250	H	95.9	Very high	94.5	Very high	80 Å²	80	33 Å²	33	37%	0.37	16%	0.163	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	131.6	163.1	176.4	-93.1	0	0	0	109.1	H306	H250-H306 CarbonylContact C-O 3.59Å; H250-H306 AromaticContact CD2-CD2 3.87Å; H250-H306 AromaticContact CD2-NE2 3.69Å
251	I	96	Very high	94.2	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	18%	0.179	C	C	.	.			trans	-116.2	109.9	-175.5	-60.1	173.6	0	0	0	107.8	L249 L256 L259 V266 I268 H306 M307	L249-I251 HydrophobicContact CD2-CD1 4.23Å; L249-I251 HydrophobicContact CD2-CG1 3.92Å; L249-I251 HydrophobicContact CG-CG1 4.06Å; I251-L256 HydrophobicContact CG2-CB 3.8Å; I251-L256 HydrophobicContact CG2-CD1 4.37Å; I251-L259 HydrophobicContact CD1-CD1 3.96Å; I251-L259 HydrophobicContact CG1-CD1 4.13Å; I251-L259 HydrophobicContact CG2-CD1 4.4Å; I251-V266 HydrophobicContact CD1-CG1 3.65Å; I251-I268 HydrophobicContact CD1-CG1 4.03Å; I251-I268 HydrophobicContact CG2-CD1 4.4Å; I251-H306 PolarHBondContact N-O 3.3Å; I251-M307 HydrophobicContact CG2-CE 3.95Å; I251-M307 WeakPolarHBondContact O-CB 3.49Å; I251-M307 VanDerWaalsContact O-CE 3.31Å; I251-M307 WeakPolarHBondContact O-CE 3.43Å; I251-M307 WeakPolarHBondContact O-CG 3.21Å
252	D	92.8	Very high	94.1	Very high	47 Å²	47	36.2 Å²	36.2	25%	0.251	18%	0.178	S	C	.	.			trans	-99.6	-175.5	165.9	68.6	7	0	0	0	111	F254 T255 L256	D252-F254 VanDerWaalsContact C-N 3.28Å; D252-F254 PolarHBondContact O-N 3.36Å; D252-F254 PolarHBondContact OD1-N 3.36Å; D252-F254 VanDerWaalsContact OD1-N 3.09Å; D252-T255 PolarHBondContact O-N 3.35Å; D252-T255 VanDerWaalsContact OD1-CB 3.27Å; D252-T255 WeakPolarHBondContact OD1-CB 3.49Å; D252-T255 PolarHBondContact OD1-N 3.2Å; D252-T255 PolarHBondContact OD1-OG1 2.89Å; D252-L256 WeakPolarHBondContact O-CB 3.43Å; D252-L256 PolarHBondContact O-N 3.32Å
253	G	90.2	Very high	93.9	Very high	19 Å²	19	36.8 Å²	36.8	20%	0.196	20%	0.198	C	C	.	.	H	α-helix	trans	-63.9	-28.4	179.7	0	0	0	0	0	114.6	Y257 Y312	G253-Y257 PolarHBondContact O-N 3.11Å; G253-Y312 VanDerWaalsContact CA-CE2 3.42Å
254	F	90.1	Very high	93.9	Very high	80 Å²	80	36.7 Å²	36.7	35%	0.351	20%	0.198	S	C	.	.	H	α-helix	trans	-76.6	-47.4	177.4	-66.8	-77.7	0	0	0	110.7	K131 P133 D252 L256 Y257 E258	K131-F254 VanDerWaalsContact O-CD1 3.32Å; K131-F254 WeakPolarHBondContact O-CD1 3.41Å; P133-F254 HydrophobicContact CB-CD2 4.41Å; P133-F254 HydrophobicContact CG-CD2 4.08Å; P133-F254 HydrophobicContact CG-CG 4.43Å; D252-F254 VanDerWaalsContact C-N 3.28Å; D252-F254 PolarHBondContact O-N 3.36Å; D252-F254 PolarHBondContact OD1-N 3.36Å; D252-F254 VanDerWaalsContact OD1-N 3.09Å; F254-L256 VanDerWaalsContact C-N 3.32Å; F254-L256 PolarHBondContact O-N 2.97Å; F254-Y257 WeakPolarHBondContact O-CB 3.43Å; F254-Y257 PolarHBondContact O-N 2.97Å; F254-E258 PolarHBondContact O-N 3.09Å
255	T	93.3	Very high	93.9	Very high	28 Å²	28	37 Å²	37	17%	0.172	20%	0.201	C	C	.	.	H	α-helix	trans	-60	-43.7	177.4	-51.8	0	0	0	0	110.4	L249 D252 Y257 E258 L259	L249-T255 HydrophobicContact CD1-CG2 3.66Å; L249-T255 HydrophobicContact CG-CG2 4.39Å; D252-T255 PolarHBondContact O-N 3.35Å; D252-T255 VanDerWaalsContact OD1-CB 3.27Å; D252-T255 WeakPolarHBondContact OD1-CB 3.49Å; D252-T255 PolarHBondContact OD1-N 3.2Å; D252-T255 PolarHBondContact OD1-OG1 2.89Å; T255-Y257 VanDerWaalsContact C-N 3.34Å; T255-Y257 PolarHBondContact O-N 3.43Å; T255-E258 PolarHBondContact O-N 2.79Å; T255-L259 HydrophobicContact CG2-CD1 4.16Å; T255-L259 HydrophobicContact CG2-CG 4.33Å; T255-L259 WeakPolarHBondContact O-CB 3.36Å; T255-L259 VanDerWaalsContact O-CG 3.24Å; T255-L259 WeakPolarHBondContact O-CG 3.33Å; T255-L259 PolarHBondContact O-N 2.72Å
256	L	93.9	Very high	94.1	Very high	7 Å²	7	36.3 Å²	36.3	4%	0.037	20%	0.198	C	C	.	.	H	α-helix	trans	-62.5	-39.5	178.2	-176.9	57.1	0	0	0	112.7	I251 D252 F254 L259 G260 V266 I268 M307 Y312 L316 L329 T331	I251-L256 HydrophobicContact CG2-CB 3.8Å; I251-L256 HydrophobicContact CG2-CD1 4.37Å; D252-L256 WeakPolarHBondContact O-CB 3.43Å; D252-L256 PolarHBondContact O-N 3.32Å; F254-L256 VanDerWaalsContact C-N 3.32Å; F254-L256 PolarHBondContact O-N 2.97Å; L256-L259 PolarHBondContact O-N 2.85Å; L256-G260 PolarHBondContact O-N 3.4Å; L256-G260 VanDerWaalsContact O-N 3.15Å; L256-V266 HydrophobicContact CD1-CB 4.06Å; L256-V266 HydrophobicContact CD1-CG1 3.94Å; L256-V266 HydrophobicContact CD1-CG2 3.99Å; L256-I268 HydrophobicContact CD1-CD1 4.19Å; L256-I268 HydrophobicContact CD2-CD1 4.48Å; L256-M307 HydrophobicContact CD2-CE 4.26Å; L256-Y312 HydrophobicContact CD2-CD1 4.3Å; L256-Y312 HydrophobicContact CD2-CE1 3.74Å; L256-L316 HydrophobicContact CD2-CD2 4.37Å; L256-L329 HydrophobicContact CD1-CD1 4.1Å; L256-L329 HydrophobicContact CD2-CD1 3.81Å; L256-T331 HydrophobicContact CD1-CG2 3.98Å
257	Y	90.6	Very high	94.1	Very high	139 Å²	139	33.2 Å²	33.2	55%	0.545	18%	0.183	S	C	.	.	H	α-helix	trans	-61.5	-46.7	174.4	175.6	-93.9	0	0	0	111.3	G253 F254 T255 L259 G260	G253-Y257 PolarHBondContact O-N 3.11Å; F254-Y257 WeakPolarHBondContact O-CB 3.43Å; F254-Y257 PolarHBondContact O-N 2.97Å; T255-Y257 VanDerWaalsContact C-N 3.34Å; T255-Y257 PolarHBondContact O-N 3.43Å; Y257-L259 VanDerWaalsContact C-N 3.35Å; Y257-L259 PolarHBondContact O-N 2.99Å; Y257-G260 PolarHBondContact O-N 3.49Å; Y257-G260 VanDerWaalsContact O-N 3.12Å
258	E	92.3	Very high	94.3	Very high	39 Å²	39	32.7 Å²	32.7	18%	0.182	18%	0.178	C	C	.	.	H	α-helix	trans	-63.9	-38.1	177.3	-75.5	-164.7	-172.4	0	0	113.2	R244 F245 F254 T255 G260 E261	R244-E258 IonicContact CZ-OE2 2.63Å; R244-E258 IonicContact NH1-OE2 3.77Å; R244-E258 PolarHBondContact NH1-OE2 2.74Å; R244-E258 IonicContact NH2-OE2 2.72Å; R244-E258 PolarHBondContact NH2-OE2 3.39Å; R244-E258 VanDerWaalsContact NH2-OE2 3.08Å; F245-E258 HydrophobicContact CE1-CB 4.46Å; F245-E258 HydrophobicContact CZ-CB 4.13Å; F254-E258 PolarHBondContact O-N 3.09Å; T255-E258 PolarHBondContact O-N 2.79Å; E258-G260 PolarHBondContact O-N 2.94Å; E258-E261 WeakPolarHBondContact O-CB 3.27Å; E258-E261 PolarHBondContact O-N 3.24Å; E258-E261 VanDerWaalsContact O-N 3.09Å
259	L	94.8	Very high	94.3	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-62.2	-30.3	174.5	-72.7	176.1	0	0	0	111.8	F245 I251 T255 L256 Y257 E261 T262 V266 Q303	F245-L259 HydrophobicContact CB-CD2 4.46Å; F245-L259 HydrophobicContact CD1-CD2 3.68Å; F245-L259 HydrophobicContact CD2-CD2 3.69Å; F245-L259 HydrophobicContact CE1-CD2 3.66Å; F245-L259 HydrophobicContact CE1-CG 4.21Å; F245-L259 HydrophobicContact CE2-CD2 3.7Å; F245-L259 HydrophobicContact CG-CD2 3.67Å; F245-L259 HydrophobicContact CZ-CD2 3.64Å; F245-L259 HydrophobicContact CZ-CG 4.3Å; I251-L259 HydrophobicContact CD1-CD1 3.96Å; I251-L259 HydrophobicContact CG1-CD1 4.13Å; I251-L259 HydrophobicContact CG2-CD1 4.4Å; T255-L259 HydrophobicContact CG2-CD1 4.16Å; T255-L259 HydrophobicContact CG2-CG 4.33Å; T255-L259 WeakPolarHBondContact O-CB 3.36Å; T255-L259 VanDerWaalsContact O-CG 3.24Å; T255-L259 WeakPolarHBondContact O-CG 3.33Å; T255-L259 PolarHBondContact O-N 2.72Å; L256-L259 PolarHBondContact O-N 2.85Å; Y257-L259 VanDerWaalsContact C-N 3.35Å; Y257-L259 PolarHBondContact O-N 2.99Å; L259-E261 PolarHBondContact O-N 3.5Å; L259-T262 WeakPolarHBondContact O-CB 3.13Å; L259-T262 WeakPolarHBondContact O-CG2 3.16Å; L259-T262 PolarHBondContact O-N 3.47Å; L259-T262 PolarHBondContact O-OG1 3.32Å; L259-V266 HydrophobicContact CB-CG2 3.92Å; L259-V266 HydrophobicContact CD1-CG1 3.85Å; L259-V266 HydrophobicContact CD1-CG2 4.29Å; L259-Q303 HydrophobicContact CD1-CB 4.44Å; L259-Q303 HydrophobicContact CD1-CG 3.79Å; L259-Q303 HydrophobicContact CD2-CB 4.11Å; L259-Q303 HydrophobicContact CD2-CG 3.55Å; L259-Q303 HydrophobicContact CG-CG 4.29Å
260	G	92.1	Very high	94.3	Very high	21 Å²	21	30.4 Å²	30.4	22%	0.216	17%	0.167	C	C	.	.	H	α-helix	trans	-65.2	-24.5	174.8	0	0	0	0	0	114.4	L256 Y257 E258 T262 T331	L256-G260 PolarHBondContact O-N 3.4Å; L256-G260 VanDerWaalsContact O-N 3.15Å; Y257-G260 PolarHBondContact O-N 3.49Å; Y257-G260 VanDerWaalsContact O-N 3.12Å; E258-G260 PolarHBondContact O-N 2.94Å; G260-T262 PolarHBondContact O-N 3.41Å; G260-T331 WeakPolarHBondContact CA-OG1 3.49Å
261	E	91.3	Very high	94.3	Very high	73 Å²	73	26.8 Å²	26.8	34%	0.341	15%	0.151	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.9	-15.9	173.9	-58.5	-175.8	167.8	0	0	112.1	Y194 N241 E258 L259	Y194-E261 PolarHBondContact OH-OE2 3.47Å; N241-E261 PolarHBondContact ND2-O 3.04Å; E258-E261 WeakPolarHBondContact O-CB 3.27Å; E258-E261 PolarHBondContact O-N 3.24Å; E258-E261 VanDerWaalsContact O-N 3.09Å; L259-E261 PolarHBondContact O-N 3.5Å
262	T	93.6	Very high	94.1	Very high	16 Å²	16	29.6 Å²	29.6	10%	0.098	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.8	-20.5	-179.7	73.2	0	0	0	0	113.6	N241 F245 L259 G260 K264	N241-T262 WeakPolarHBondContact O-CG2 3.33Å; F245-T262 HydrophobicContact CD2-CG2 4.15Å; F245-T262 HydrophobicContact CE2-CG2 3.52Å; F245-T262 HydrophobicContact CZ-CG2 4.39Å; L259-T262 WeakPolarHBondContact O-CB 3.13Å; L259-T262 WeakPolarHBondContact O-CG2 3.16Å; L259-T262 PolarHBondContact O-N 3.47Å; L259-T262 PolarHBondContact O-OG1 3.32Å; G260-T262 PolarHBondContact O-N 3.41Å; T262-K264 PolarHBondContact O-N 2.8Å; T262-K264 WeakPolarHBondContact OG1-CB 3.41Å; T262-K264 PolarHBondContact OG1-N 3.04Å; T262-K264 VanDerWaalsContact OG1-N 3.14Å
263	G	91.9	Very high	94	Very high	57 Å²	57	31.2 Å²	31.2	59%	0.588	17%	0.172	S	C	*	.	T	Hydrogen-bonded Turn	trans	74.2	0.6	-171.5	0	0	0	0	0	114.9
264	K	95.6	Very high	94	Very high	5 Å²	5	38.8 Å²	38.8	2%	0.022	20%	0.199	C	C	.	.			trans	-77.3	149.5	174.5	-61.1	-173.8	-176	-176.2	0	110.9	R242 T262 N299 D301	R242-K264 PolarHBondContact O-NZ 3.46Å; T262-K264 PolarHBondContact O-N 2.8Å; T262-K264 WeakPolarHBondContact OG1-CB 3.41Å; T262-K264 PolarHBondContact OG1-N 3.04Å; T262-K264 VanDerWaalsContact OG1-N 3.14Å; K264-N299 WeakPolarHBondContact CE-O 3.41Å; K264-N299 PolarHBondContact NZ-O 2.94Å; K264-N299 PolarHBondContact NZ-OD1 2.71Å; K264-D301 CarbonylContact C-O 3.59Å; K264-D301 WeakPolarHBondContact CA-O 3.37Å
265	L	97.3	Very high	94	Very high	27 Å²	27	40.7 Å²	40.7	14%	0.141	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68	145.7	162.4	-63.1	177.3	0	0	0	109.5	D301 F302 Q303 I328 L329 N330 V356	L265-D301 PolarHBondContact N-O 3.07Å; L265-F302 HydrophobicContact CB-CD1 3.55Å; L265-F302 HydrophobicContact CB-CE1 3.54Å; L265-F302 HydrophobicContact CB-CG 4.42Å; L265-F302 HydrophobicContact CB-CZ 4.43Å; L265-F302 HydrophobicContact CD1-CD1 4.41Å; L265-F302 HydrophobicContact CD1-CE1 3.62Å; L265-F302 HydrophobicContact CD1-CZ 3.79Å; L265-F302 HydrophobicContact CG-CE1 4.23Å; L265-F302 CarbonylContact O-C 3.53Å; L265-F302 VanDerWaalsContact O-CA 3.27Å; L265-F302 WeakPolarHBondContact O-CA 3.2Å; L265-Q303 PolarHBondContact O-N 3.43Å; L265-I328 HydrophobicContact CB-CG2 4.12Å; L265-I328 HydrophobicContact CD1-CG2 4.42Å; L265-L329 WeakPolarHBondContact CA-O 3.38Å; L265-N330 HydrophobicContact CD2-CB 3.48Å; L265-N330 VanDerWaalsContact CD2-CB 3.48Å; L265-V356 HydrophobicContact CD1-CG1 3.76Å
266	V	97.9	Very high	93.8	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	109.5	-177.8	-169.2	0	0	0	0	109.6	I251 L256 L259 I268 I328 L329 T331	I251-V266 HydrophobicContact CD1-CG1 3.65Å; L256-V266 HydrophobicContact CD1-CB 4.06Å; L256-V266 HydrophobicContact CD1-CG1 3.94Å; L256-V266 HydrophobicContact CD1-CG2 3.99Å; L259-V266 HydrophobicContact CB-CG2 3.92Å; L259-V266 HydrophobicContact CD1-CG1 3.85Å; L259-V266 HydrophobicContact CD1-CG2 4.29Å; V266-I268 HydrophobicContact CB-CG1 4.5Å; V266-I268 HydrophobicContact CG1-CD1 3.96Å; V266-I268 HydrophobicContact CG1-CG1 3.71Å; V266-I328 CarbonylContact O-C 3.59Å; V266-I328 WeakPolarHBondContact O-CA 3.21Å; V266-L329 PolarHBondContact N-O 3.04Å; V266-L329 PolarHBondContact O-N 2.98Å; V266-T331 HydrophobicContact CG2-CG2 4.22Å
267	A	98	Very high	93.8	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	116.4	175.9	0	0	0	0	0	109.9	M287 F302 Q303 F304 G305 I328	A267-M287 HydrophobicContact CB-CE 3.91Å; A267-M287 WeakPolarHBondContact O-CE 3.47Å; A267-F302 HydrophobicContact CB-CD1 4.32Å; A267-Q303 PolarHBondContact N-O 2.93Å; A267-F304 HydrophobicContact CB-CD1 3.67Å; A267-F304 HydrophobicContact CB-CE1 3.82Å; A267-F304 WeakPolarHBondContact O-CA 3.29Å; A267-G305 PolarHBondContact O-N 2.93Å; A267-I328 HydrophobicContact CB-CG1 3.93Å
268	I	97.8	Very high	93.9	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	124.8	-170.1	-49.8	178.2	0	0	0	109.6	I251 L256 V266 I270 G305 M307 I313 V326 I327 L329	I251-I268 HydrophobicContact CD1-CG1 4.03Å; I251-I268 HydrophobicContact CG2-CD1 4.4Å; L256-I268 HydrophobicContact CD1-CD1 4.19Å; L256-I268 HydrophobicContact CD2-CD1 4.48Å; V266-I268 HydrophobicContact CB-CG1 4.5Å; V266-I268 HydrophobicContact CG1-CD1 3.96Å; V266-I268 HydrophobicContact CG1-CG1 3.71Å; I268-I270 HydrophobicContact CG2-CG1 4.33Å; I268-G305 WeakPolarHBondContact CA-O 3.34Å; I268-M307 HydrophobicContact CD1-CE 4.39Å; I268-M307 HydrophobicContact CG2-CB 3.69Å; I268-I313 HydrophobicContact CD1-CD1 4.15Å; I268-V326 WeakPolarHBondContact O-CA 3.49Å; I268-I327 HydrophobicContact CB-CG2 3.9Å; I268-I327 PolarHBondContact N-O 2.86Å; I268-I327 PolarHBondContact O-N 2.74Å; I268-L329 HydrophobicContact CD1-CD1 3.67Å; I268-L329 HydrophobicContact CD1-CG 4.34Å
269	A	97.6	Very high	93.9	Very high	0 Å²	0	52.1 Å²	52.1	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	114.8	159.6	0	0	0	0	0	109.4	I271 L283 M287 G305 H306 M307	A269-I271 HydrophobicContact CB-CG2 4.35Å; A269-L283 HydrophobicContact CB-CD2 4.22Å; A269-L283 HydrophobicContact CB-CG 4.17Å; A269-M287 HydrophobicContact CB-CG 4.04Å; A269-G305 PolarHBondContact N-O 3.46Å; A269-H306 HydrophobicContact CB-CB 4.21Å; A269-H306 CarbonylContact O-C 3.46Å; A269-H306 WeakPolarHBondContact O-CA 3.43Å; A269-H306 VanDerWaalsContact O-CB 3.31Å; A269-H306 WeakPolarHBondContact O-CB 3.11Å; A269-M307 PolarHBondContact O-N 2.85Å
270	I	96.5	Very high	93.8	Very high	0 Å²	0	52.2 Å²	52.2	0%	0	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86	117.4	172.7	-61.1	165.9	0	0	0	106.8	I268 G309 N310 I313 V321 V323 P324 S325 I327	I268-I270 HydrophobicContact CG2-CG1 4.33Å; I270-G309 WeakPolarHBondContact CG2-O 3.31Å; I270-N310 HydrophobicContact CG2-CB 4.01Å; I270-I313 HydrophobicContact CD1-CB 4.2Å; I270-I313 HydrophobicContact CD1-CG1 3.95Å; I270-I313 HydrophobicContact CD1-CG2 4.01Å; I270-I313 HydrophobicContact CG1-CG1 4.29Å; I270-V321 HydrophobicContact CD1-CB 4.26Å; I270-V321 HydrophobicContact CD1-CG1 3.52Å; I270-V323 HydrophobicContact CG2-CG2 3.95Å; I270-P324 CarbonylContact O-C 3.42Å; I270-P324 WeakPolarHBondContact O-CA 3.4Å; I270-S325 PolarHBondContact N-O 2.81Å; I270-S325 PolarHBondContact O-N 3.21Å; I270-I327 HydrophobicContact CD1-CB 4.3Å; I270-I327 HydrophobicContact CD1-CG2 3.73Å; I270-I327 HydrophobicContact CG1-CG2 4.22Å
271	I	96.1	Very high	93.9	Very high	5 Å²	5	52.9 Å²	52.9	3%	0.026	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	161	-176.5	60.4	173.7	0	0	0	110.1	A269 E273 K284 H306 M307 D308 G309 V323 P324	A269-I271 HydrophobicContact CB-CG2 4.35Å; I271-E273 HydrophobicContact CD1-CG 4.14Å; I271-E273 HydrophobicContact CG1-CG 4.23Å; I271-K284 HydrophobicContact CD1-CB 4.36Å; I271-K284 HydrophobicContact CD1-CD 3.73Å; I271-K284 HydrophobicContact CD1-CG 4.23Å; I271-H306 HydrophobicContact CD1-CB 4.13Å; I271-H306 HydrophobicContact CG1-CB 4.34Å; I271-M307 PolarHBondContact N-O 3.1Å; I271-M307 VanDerWaalsContact N-O 3.1Å; I271-D308 WeakPolarHBondContact O-CA 3.47Å; I271-G309 PolarHBondContact O-N 3.49Å; I271-V323 VanDerWaalsContact C-CG1 3.46Å; I271-P324 HydrophobicContact CG2-CB 4.36Å
272	D	93.2	Very high	94.1	Very high	58 Å²	58	54.5 Å²	54.5	31%	0.31	29%	0.292	S	S	.	.			trans	-96.6	114.8	167.6	-166.5	-34.3	0	0	0	108	K274 D275 P276 V323	D272-K274 WeakPolarHBondContact OD1-CA 3.23Å; D272-K274 WeakPolarHBondContact OD1-CB 3.41Å; D272-K274 PolarHBondContact OD1-N 3.23Å; D272-D275 PolarHBondContact OD1-N 3.34Å; D272-P276 WeakPolarHBondContact O-CA 3.38Å; D272-V323 HydrophobicContact CB-CG1 4.09Å
273	E	90.7	Very high	94.2	Very high	81 Å²	81	54.4 Å²	54.4	38%	0.379	29%	0.291	S	S	.	.	S	Bend	trans	-84.5	-20.1	176.4	-63.1	-148	140.9	0	0	112.7	I271 K284 H306 D308	I271-E273 HydrophobicContact CD1-CG 4.14Å; I271-E273 HydrophobicContact CG1-CG 4.23Å; E273-K284 IonicContact OE1-NZ 3.8Å; E273-K284 PolarHBondContact OE1-NZ 2.53Å; E273-H306 IonicContact OE1-CD2 2.69Å; E273-H306 PolarHBondContact OE1-CD2 3.32Å; E273-H306 IonicContact OE1-NE2 3.59Å; E273-H306 PolarHBondContact OE1-NE2 2.84Å; E273-D308 HydrophobicContact CB-CB 4.36Å; E273-D308 HydrophobicContact CG-CB 4.02Å; E273-D308 PolarHBondContact N-OD1 2.92Å
274	K	89.2	Confident	94.4	Very high	179 Å²	179	54 Å²	54	78%	0.778	27%	0.273	S	S	*	.	S	Bend	trans	-81.4	-37.8	-179.4	-62.7	171.2	-171	156.8	0	111.2	D272 D308	D272-K274 WeakPolarHBondContact OD1-CA 3.23Å; D272-K274 WeakPolarHBondContact OD1-CB 3.41Å; D272-K274 PolarHBondContact OD1-N 3.23Å; K274-D308 IonicContact NZ-OD2 3.53Å
275	D	90.3	Very high	94.4	Very high	119 Å²	119	57.6 Å²	57.6	64%	0.636	30%	0.295	S	S	*	.	S	Bend	trans	-125.4	76.2	174.1	-166	13.6	0	0	0	110.9	D272 T277	D272-D275 PolarHBondContact OD1-N 3.34Å; D275-T277 PolarHBondContact O-N 3.19Å
276	P	90	Very high	94.4	Very high	92 Å²	92	57.1 Å²	57.1	60%	0.597	29%	0.293	S	S	*	.			trans	-70.6	117.8	-173.1	27.7	-34.1	0	0	0	111.6	D272	D272-P276 WeakPolarHBondContact O-CA 3.38Å
277	T	93.1	Very high	94.4	Very high	62 Å²	62	57.1 Å²	57.1	38%	0.38	29%	0.293	S	S	.	.			trans	-83	157.5	170.4	75.3	0	0	0	0	111.6	D275 Q279 S280 G281	D275-T277 PolarHBondContact O-N 3.19Å; T277-Q279 PolarHBondContact O-N 2.81Å; T277-S280 WeakPolarHBondContact O-CB 3.44Å; T277-S280 PolarHBondContact O-N 2.97Å; T277-S280 VanDerWaalsContact O-N 3.12Å; T277-S280 WeakPolarHBondContact OG1-CB 3.43Å; T277-S280 PolarHBondContact OG1-N 2.69Å; T277-S280 PolarHBondContact OG1-OG 2.88Å; T277-G281 PolarHBondContact O-N 2.85Å
278	E	93.6	Very high	94.4	Very high	183 Å²	183	61 Å²	61	86%	0.855	31%	0.311	S	S	*	.	H	α-helix	trans	-56.4	-38.6	173.3	-173.8	-179.4	176.6	0	0	111.5	G281 R282	E278-G281 PolarHBondContact O-N 3.22Å; E278-R282 WeakPolarHBondContact O-CB 3.46Å; E278-R282 PolarHBondContact O-N 3.19Å
279	Q	91.6	Very high	94.3	Very high	116 Å²	116	64.2 Å²	64.2	54%	0.542	33%	0.326	S	S	.	.	H	α-helix	trans	-64.9	-42.5	176.6	-66.9	-178.9	-15.5	0	0	111.9	T277 R282 L283 P324	T277-Q279 PolarHBondContact O-N 2.81Å; Q279-R282 PolarHBondContact O-N 3.31Å; Q279-L283 WeakPolarHBondContact O-CB 3.38Å; Q279-L283 PolarHBondContact O-N 3.02Å; Q279-P324 HydrophobicContact CB-CG 3.82Å
280	S	92.9	Very high	94.3	Very high	3 Å²	3	64.2 Å²	64.2	2%	0.021	33%	0.326	C	S	.	.	H	α-helix	trans	-60.1	-47	175.2	-61.6	0	0	0	0	111.3	T277 R282 L283 K284	T277-S280 WeakPolarHBondContact O-CB 3.44Å; T277-S280 PolarHBondContact O-N 2.97Å; T277-S280 VanDerWaalsContact O-N 3.12Å; T277-S280 WeakPolarHBondContact OG1-CB 3.43Å; T277-S280 PolarHBondContact OG1-N 2.69Å; T277-S280 PolarHBondContact OG1-OG 2.88Å; S280-R282 PolarHBondContact O-N 3.43Å; S280-L283 PolarHBondContact O-N 2.8Å; S280-K284 WeakPolarHBondContact O-CB 3.43Å; S280-K284 PolarHBondContact O-N 3.31Å
281	G	94.3	Very high	94.3	Very high	35 Å²	35	64.5 Å²	64.5	36%	0.361	33%	0.329	S	S	.	.	H	α-helix	trans	-63.1	-41.6	178.1	0	0	0	0	0	112.6	T277 E278 T285	T277-G281 PolarHBondContact O-N 2.85Å; E278-G281 PolarHBondContact O-N 3.22Å; G281-T285 PolarHBondContact O-N 2.72Å; G281-T285 PolarHBondContact O-OG1 3.17Å
282	R	94.5	Very high	94.3	Very high	107 Å²	107	72.3 Å²	72.3	40%	0.404	36%	0.362	S	S	.	.	H	α-helix	trans	-62.9	-46.2	176	-163.9	-176.2	82.4	143.1	4.1	111.5	E278 Q279 S280 T285 L286 I343 E344	E278-R282 WeakPolarHBondContact O-CB 3.46Å; E278-R282 PolarHBondContact O-N 3.19Å; Q279-R282 PolarHBondContact O-N 3.31Å; S280-R282 PolarHBondContact O-N 3.43Å; R282-T285 WeakPolarHBondContact O-CB 3.35Å; R282-T285 PolarHBondContact O-N 3.37Å; R282-L286 WeakPolarHBondContact O-CG 3.42Å; R282-L286 PolarHBondContact O-N 3.29Å; R282-I343 PolarHBondContact NH2-O 2.92Å; R282-E344 PolarHBondContact NH1-O 2.88Å; R282-E344 PolarHBondContact NH2-O 3.09Å
283	L	95.7	Very high	94.4	Very high	13 Å²	13	75.5 Å²	75.5	7%	0.068	38%	0.375	C	S	.	.	H	α-helix	trans	-64.1	-43	-179.8	-175.4	61.2	0	0	0	112.2	A269 Q279 S280 T285 L286 M287 P324 S325 V326	A269-L283 HydrophobicContact CB-CD2 4.22Å; A269-L283 HydrophobicContact CB-CG 4.17Å; Q279-L283 WeakPolarHBondContact O-CB 3.38Å; Q279-L283 PolarHBondContact O-N 3.02Å; S280-L283 PolarHBondContact O-N 2.8Å; L283-T285 VanDerWaalsContact C-N 3.29Å; L283-T285 PolarHBondContact O-N 2.9Å; L283-L286 PolarHBondContact O-N 3.49Å; L283-M287 PolarHBondContact O-N 3.13Å; L283-P324 HydrophobicContact CD2-CB 4.1Å; L283-S325 WeakPolarHBondContact CD2-O 3.45Å; L283-V326 HydrophobicContact CD1-CG2 3.53Å; L283-V326 HydrophobicContact CD2-CG2 3.79Å; L283-V326 HydrophobicContact CG-CG2 4.07Å
284	K	96	Very high	94.6	Very high	49 Å²	49	74.7 Å²	74.7	21%	0.213	37%	0.369	C	S	.	.	H	α-helix	trans	-54.9	-47.3	173.7	-167.4	176	-167.7	159.3	0	110.8	Y248 I271 E273 S280 M287 Q288 H306	Y248-K284 WeakPolarHBondContact OH-CG 3.15Å; I271-K284 HydrophobicContact CD1-CB 4.36Å; I271-K284 HydrophobicContact CD1-CD 3.73Å; I271-K284 HydrophobicContact CD1-CG 4.23Å; E273-K284 IonicContact OE1-NZ 3.8Å; E273-K284 PolarHBondContact OE1-NZ 2.53Å; S280-K284 WeakPolarHBondContact O-CB 3.43Å; S280-K284 PolarHBondContact O-N 3.31Å; K284-M287 PolarHBondContact O-N 3.23Å; K284-Q288 WeakPolarHBondContact O-CG 3.3Å; K284-Q288 PolarHBondContact O-N 3.3Å; K284-H306 WeakPolarHBondContact CE-NE2 3.34Å; K284-H306 PolarHBondContact NZ-CD2 3.42Å; K284-H306 PolarHBondContact NZ-NE2 3Å
285	T	96.6	Very high	94.8	Very high	80 Å²	80	67.8 Å²	67.8	49%	0.491	34%	0.338	S	S	.	.	H	α-helix	trans	-63.6	-44.5	179.1	-54.2	0	0	0	0	112.1	G281 R282 L283 M287 Q288 Q289	G281-T285 PolarHBondContact O-N 2.72Å; G281-T285 PolarHBondContact O-OG1 3.17Å; R282-T285 WeakPolarHBondContact O-CB 3.35Å; R282-T285 PolarHBondContact O-N 3.37Å; L283-T285 VanDerWaalsContact C-N 3.29Å; L283-T285 PolarHBondContact O-N 2.9Å; T285-M287 PolarHBondContact O-N 2.87Å; T285-Q288 PolarHBondContact O-N 2.64Å; T285-Q289 WeakPolarHBondContact O-CB 3.47Å; T285-Q289 PolarHBondContact O-N 3.42Å
286	L	97.1	Very high	94.9	Very high	17 Å²	17	71.6 Å²	71.6	9%	0.089	35%	0.352	C	S	.	.	H	α-helix	trans	-59.9	-45.6	177.3	-73.4	174.4	0	0	0	111.6	R282 L283 Q289 V290 I343 T346 L349	R282-L286 WeakPolarHBondContact O-CG 3.42Å; R282-L286 PolarHBondContact O-N 3.29Å; L283-L286 PolarHBondContact O-N 3.49Å; L286-Q289 PolarHBondContact O-N 2.73Å; L286-V290 WeakPolarHBondContact O-CG2 3.14Å; L286-V290 PolarHBondContact O-N 3.19Å; L286-I343 HydrophobicContact CD1-CG2 4.41Å; L286-T346 WeakPolarHBondContact CD2-OG1 3.27Å; L286-L349 HydrophobicContact CB-CD2 4.15Å
287	M	97.6	Very high	95.1	Very high	0 Å²	0	72 Å²	72	0%	0	35%	0.346	C	S	.	.	H	α-helix	trans	-64.8	-40.6	177.7	-77.4	-79.2	-71.1	0	0	112.6	Y248 A267 A269 L283 K284 T285 Q289 V290 A291 F304 L349	Y248-M287 HydrophobicContact CE2-CB 3.75Å; A267-M287 HydrophobicContact CB-CE 3.91Å; A267-M287 WeakPolarHBondContact O-CE 3.47Å; A269-M287 HydrophobicContact CB-CG 4.04Å; L283-M287 PolarHBondContact O-N 3.13Å; K284-M287 PolarHBondContact O-N 3.23Å; T285-M287 PolarHBondContact O-N 2.87Å; M287-Q289 VanDerWaalsContact C-N 3.34Å; M287-V290 PolarHBondContact O-N 3.15Å; M287-A291 VanDerWaalsContact O-CB 3.3Å; M287-A291 WeakPolarHBondContact O-CB 3.33Å; M287-A291 PolarHBondContact O-N 3.01Å; M287-F304 HydrophobicContact CE-CB 4.5Å; M287-F304 HydrophobicContact CE-CD1 3.87Å; M287-F304 HydrophobicContact SD-CD1 4.31Å; M287-L349 HydrophobicContact CG-CD2 3.96Å; M287-L349 HydrophobicContact SD-CD1 3.91Å; M287-L349 HydrophobicContact SD-CD2 3.76Å; M287-L349 HydrophobicContact SD-CG 4.39Å
288	Q	97.2	Very high	95.2	Very high	83 Å²	83	69 Å²	69	39%	0.388	33%	0.328	S	S	.	.	H	α-helix	trans	-61.5	-43	173.8	-76.2	175.6	-30.8	0	0	111.9	Y248 K284 T285 A291 K292	Y248-Q288 HydrophobicContact CD1-CG 3.44Å; Y248-Q288 VanDerWaalsContact CD1-CG 3.44Å; Y248-Q288 HydrophobicContact CD2-CG 3.87Å; Y248-Q288 HydrophobicContact CE1-CG 3.37Å; Y248-Q288 HydrophobicContact CE2-CG 3.85Å; Y248-Q288 HydrophobicContact CG-CG 3.66Å; K284-Q288 WeakPolarHBondContact O-CG 3.3Å; K284-Q288 PolarHBondContact O-N 3.3Å; T285-Q288 PolarHBondContact O-N 2.64Å; Q288-A291 PolarHBondContact O-N 2.81Å; Q288-K292 WeakPolarHBondContact O-CB 3.35Å; Q288-K292 PolarHBondContact O-N 3.35Å; Q288-K292 VanDerWaalsContact O-N 3.11Å
289	Q	96.9	Very high	95.1	Very high	67 Å²	67	61.7 Å²	61.7	31%	0.313	30%	0.295	S	S	.	.	H	α-helix	trans	-62.7	-47.7	177.6	-173.2	-179.1	-13.4	0	0	110.9	T285 L286 M287 A291 K292 E293	T285-Q289 WeakPolarHBondContact O-CB 3.47Å; T285-Q289 PolarHBondContact O-N 3.42Å; L286-Q289 PolarHBondContact O-N 2.73Å; M287-Q289 VanDerWaalsContact C-N 3.34Å; Q289-A291 PolarHBondContact O-N 2.85Å; Q289-K292 PolarHBondContact O-N 3.29Å; Q289-E293 HydrophobicContact CG-CG 4.1Å; Q289-E293 WeakPolarHBondContact CG-OE1 3.5Å; Q289-E293 WeakPolarHBondContact CG-OE2 3.39Å; Q289-E293 PolarHBondContact NE2-OE1 3.47Å; Q289-E293 PolarHBondContact NE2-OE2 3.21Å; Q289-E293 WeakPolarHBondContact O-CB 3.4Å; Q289-E293 PolarHBondContact O-N 3.28Å
290	V	97.3	Very high	95.2	Very high	0 Å²	0	64.9 Å²	64.9	0%	0	30%	0.302	C	S	.	.	H	α-helix	trans	-61.4	-46.3	177.7	171.8	0	0	0	0	111.5	L286 M287 K292 Y294 F298 F304 T346 L349 V350 I353	L286-V290 WeakPolarHBondContact O-CG2 3.14Å; L286-V290 PolarHBondContact O-N 3.19Å; M287-V290 PolarHBondContact O-N 3.15Å; V290-K292 PolarHBondContact O-N 3.02Å; V290-Y294 HydrophobicContact CG1-CD2 4.46Å; V290-Y294 HydrophobicContact CG2-CD2 4.5Å; V290-Y294 WeakPolarHBondContact O-CB 3.37Å; V290-Y294 PolarHBondContact O-N 2.81Å; V290-F298 HydrophobicContact CG1-CD2 4.1Å; V290-F298 HydrophobicContact CG1-CE2 4.12Å; V290-F304 HydrophobicContact CG1-CE1 4.15Å; V290-F304 HydrophobicContact CG1-CZ 4.25Å; V290-T346 HydrophobicContact CG2-CG2 3.73Å; V290-L349 HydrophobicContact CB-CD2 4.19Å; V290-L349 HydrophobicContact CG2-CB 4.4Å; V290-L349 HydrophobicContact CG2-CD2 3.64Å; V290-L349 HydrophobicContact CG2-CG 4.02Å; V290-V350 HydrophobicContact CG1-CG2 4.33Å; V290-V350 HydrophobicContact CG2-CG2 3.89Å; V290-I353 HydrophobicContact CG1-CD1 3.75Å
291	A	96.9	Very high	95.3	Very high	6 Å²	6	68.2 Å²	68.2	5%	0.05	32%	0.319	C	S	.	.	H	α-helix	trans	-57.7	-33.9	178.4	0	0	0	0	0	113	Y248 M287 Q288 Q289 F304	Y248-A291 HydrophobicContact CD2-CB 4.27Å; M287-A291 VanDerWaalsContact O-CB 3.3Å; M287-A291 WeakPolarHBondContact O-CB 3.33Å; M287-A291 PolarHBondContact O-N 3.01Å; Q288-A291 PolarHBondContact O-N 2.81Å; Q289-A291 PolarHBondContact O-N 2.85Å; A291-F304 HydrophobicContact CB-CB 3.65Å; A291-F304 HydrophobicContact CB-CD2 3.78Å; A291-F304 HydrophobicContact CB-CG 3.73Å
292	K	94.9	Very high	95.4	Very high	169 Å²	169	66.7 Å²	66.7	74%	0.735	30%	0.303	S	S	*	.	H	α-helix	trans	-85.7	-53.6	-179.2	-175.1	179	179.9	-179.7	0	113	Q288 Q289 V290	Q288-K292 WeakPolarHBondContact O-CB 3.35Å; Q288-K292 PolarHBondContact O-N 3.35Å; Q288-K292 VanDerWaalsContact O-N 3.11Å; Q289-K292 PolarHBondContact O-N 3.29Å; V290-K292 PolarHBondContact O-N 3.02Å
293	E	95.4	Very high	95.6	Very high	124 Å²	124	61.7 Å²	61.7	58%	0.579	28%	0.284	S	S	*	.	H	α-helix	trans	-78.8	-28.4	-170.9	-66.2	179.4	-177.4	0	0	112.6	Q289	Q289-E293 HydrophobicContact CG-CG 4.1Å; Q289-E293 WeakPolarHBondContact CG-OE1 3.5Å; Q289-E293 WeakPolarHBondContact CG-OE2 3.39Å; Q289-E293 PolarHBondContact NE2-OE1 3.47Å; Q289-E293 PolarHBondContact NE2-OE2 3.21Å; Q289-E293 WeakPolarHBondContact O-CB 3.4Å; Q289-E293 PolarHBondContact O-N 3.28Å
294	Y	96.1	Very high	95.7	Very high	64 Å²	64	61.4 Å²	61.4	25%	0.251	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	-107.3	23.3	-179.9	-63.4	-102.1	0	0	0	112.2	V290 E296 Q297 F298 T346 V350	V290-Y294 HydrophobicContact CG1-CD2 4.46Å; V290-Y294 HydrophobicContact CG2-CD2 4.5Å; V290-Y294 WeakPolarHBondContact O-CB 3.37Å; V290-Y294 PolarHBondContact O-N 2.81Å; Y294-E296 PolarHBondContact O-N 3.09Å; Y294-Q297 PolarHBondContact O-N 3.08Å; Y294-Q297 VanDerWaalsContact O-N 3.12Å; Y294-F298 HydrophobicContact CD1-CE2 4.26Å; Y294-F298 HydrophobicContact CG-CE2 4.18Å; Y294-F298 PolarHBondContact O-N 3.3Å; Y294-T346 HydrophobicContact CE2-CG2 3.96Å; Y294-V350 HydrophobicContact CD1-CG1 4.3Å; Y294-V350 HydrophobicContact CD1-CG2 4.12Å; Y294-V350 HydrophobicContact CD2-CG2 4.12Å; Y294-V350 HydrophobicContact CE1-CG1 4.03Å; Y294-V350 HydrophobicContact CE1-CG2 3.89Å; Y294-V350 HydrophobicContact CE2-CG2 3.9Å; Y294-V350 HydrophobicContact CG-CG2 4.23Å
295	R	93.3	Very high	95.8	Very high	34 Å²	34	59.1 Å²	59.1	13%	0.128	27%	0.272	C	S	.	.	H	α-helix	trans	-55.6	-47.2	-178.6	-178.9	178.3	165.4	69	1.8	112.2	E243 Q297 F298 N299	E243-R295 IonicContact OE1-NH2 3.77Å; E243-R295 IonicContact OE2-CZ 2.65Å; E243-R295 IonicContact OE2-NH1 2.72Å; E243-R295 IonicContact OE2-NH2 3.68Å; E243-R295 PolarHBondContact OE2-NH2 3Å; R295-Q297 PolarHBondContact O-N 3.36Å; R295-F298 PolarHBondContact O-N 2.9Å; R295-N299 HydrophobicContact CG-CB 3.86Å; R295-N299 PolarHBondContact NH1-OD1 2.97Å; R295-N299 PolarHBondContact NH2-ND2 2.69Å; R295-N299 WeakPolarHBondContact O-CB 3.45Å; R295-N299 PolarHBondContact O-N 3.4Å
296	E	91.9	Very high	95.8	Very high	199 Å²	199	56 Å²	56	93%	0.93	25%	0.252	S	S	*	.	H	α-helix	trans	-59.9	-33.5	-179.2	-66.6	-176	171.5	0	0	112.2	Y294	Y294-E296 PolarHBondContact O-N 3.09Å
297	Q	94.1	Very high	95.8	Very high	101 Å²	101	55.5 Å²	55.5	47%	0.472	25%	0.249	S	C	.	.	H	α-helix	trans	-78.6	-38.5	179.7	-171.3	178.2	-6.3	0	0	112.6	Y294 R295	Y294-Q297 PolarHBondContact O-N 3.08Å; Y294-Q297 VanDerWaalsContact O-N 3.12Å; R295-Q297 PolarHBondContact O-N 3.36Å
298	F	95.6	Very high	95.7	Very high	0 Å²	0	58 Å²	58	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-114.3	-15	-166.6	-62	-44.3	0	0	0	115.5	V290 Y294 R295 R300 D301 F302 F304 V350 I353 L357	V290-F298 HydrophobicContact CG1-CD2 4.1Å; V290-F298 HydrophobicContact CG1-CE2 4.12Å; Y294-F298 HydrophobicContact CD1-CE2 4.26Å; Y294-F298 HydrophobicContact CG-CE2 4.18Å; Y294-F298 PolarHBondContact O-N 3.3Å; R295-F298 PolarHBondContact O-N 2.9Å; F298-R300 PolarHBondContact O-N 2.77Å; F298-R300 VanDerWaalsContact O-N 3.14Å; F298-D301 PolarHBondContact O-N 3.49Å; F298-D301 VanDerWaalsContact O-N 3.11Å; F298-F302 HydrophobicContact CB-CB 4.45Å; F298-F302 HydrophobicContact CB-CD2 4.07Å; F298-F302 HydrophobicContact CD1-CD2 4.15Å; F298-F302 HydrophobicContact CD1-CE2 4.26Å; F298-F302 HydrophobicContact CG-CD2 4.36Å; F298-F302 PolarHBondContact O-N 3.24Å; F298-F304 HydrophobicContact CB-CE2 3.83Å; F298-F304 HydrophobicContact CB-CZ 3.83Å; F298-F304 HydrophobicContact CD2-CZ 4.1Å; F298-F304 HydrophobicContact CG-CZ 4.21Å; F298-V350 HydrophobicContact CE2-CG1 4.33Å; F298-V350 HydrophobicContact CE2-CG2 4.46Å; F298-V350 HydrophobicContact CZ-CG1 4.11Å; F298-I353 HydrophobicContact CD1-CG2 3.81Å; F298-I353 HydrophobicContact CD2-CG2 4.25Å; F298-I353 HydrophobicContact CE1-CG2 3.65Å; F298-I353 HydrophobicContact CE2-CG2 4.11Å; F298-I353 HydrophobicContact CG-CG2 4.12Å; F298-I353 HydrophobicContact CZ-CB 4.27Å; F298-I353 HydrophobicContact CZ-CG2 3.81Å; F298-L357 HydrophobicContact CD1-CD1 3.82Å; F298-L357 HydrophobicContact CE1-CD1 3.83Å
299	N	92.1	Very high	95.5	Very high	29 Å²	29	55 Å²	55	16%	0.155	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.7	-30.3	-172.8	177.3	58.9	0	0	0	113.7	E243 K264 R295 D301	E243-N299 PolarHBondContact OE1-ND2 2.9Å; K264-N299 WeakPolarHBondContact CE-O 3.41Å; K264-N299 PolarHBondContact NZ-O 2.94Å; K264-N299 PolarHBondContact NZ-OD1 2.71Å; R295-N299 HydrophobicContact CG-CB 3.86Å; R295-N299 PolarHBondContact NH1-OD1 2.97Å; R295-N299 PolarHBondContact NH2-ND2 2.69Å; R295-N299 WeakPolarHBondContact O-CB 3.45Å; R295-N299 PolarHBondContact O-N 3.4Å; N299-D301 VanDerWaalsContact C-N 3.33Å
300	R	91.7	Very high	95.3	Very high	182 Å²	182	53.6 Å²	53.6	69%	0.687	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.4	-34.9	-179.9	-65.8	-174.9	73.2	-176.9	7.9	112	F298	F298-R300 PolarHBondContact O-N 2.77Å; F298-R300 VanDerWaalsContact O-N 3.14Å
301	D	95.3	Very high	95	Very high	74 Å²	74	60 Å²	60	40%	0.396	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	-107.4	-23.3	-169.6	-54.5	-64	0	0	0	113.3	K264 L265 F298 N299 L357	K264-D301 CarbonylContact C-O 3.59Å; K264-D301 WeakPolarHBondContact CA-O 3.37Å; L265-D301 PolarHBondContact N-O 3.07Å; F298-D301 PolarHBondContact O-N 3.49Å; F298-D301 VanDerWaalsContact O-N 3.11Å; N299-D301 VanDerWaalsContact C-N 3.33Å; D301-L357 HydrophobicContact CB-CD2 3.54Å
302	F	97.3	Very high	94.6	Very high	2 Å²	2	65.1 Å²	65.1	1%	0.009	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	143.7	-174.6	-68.2	-84.8	0	0	0	114.4	L265 A267 F298 F304 I328 I353 V356 L357	L265-F302 HydrophobicContact CB-CD1 3.55Å; L265-F302 HydrophobicContact CB-CE1 3.54Å; L265-F302 HydrophobicContact CB-CG 4.42Å; L265-F302 HydrophobicContact CB-CZ 4.43Å; L265-F302 HydrophobicContact CD1-CD1 4.41Å; L265-F302 HydrophobicContact CD1-CE1 3.62Å; L265-F302 HydrophobicContact CD1-CZ 3.79Å; L265-F302 HydrophobicContact CG-CE1 4.23Å; L265-F302 CarbonylContact O-C 3.53Å; L265-F302 VanDerWaalsContact O-CA 3.27Å; L265-F302 WeakPolarHBondContact O-CA 3.2Å; A267-F302 HydrophobicContact CB-CD1 4.32Å; F298-F302 HydrophobicContact CB-CB 4.45Å; F298-F302 HydrophobicContact CB-CD2 4.07Å; F298-F302 HydrophobicContact CD1-CD2 4.15Å; F298-F302 HydrophobicContact CD1-CE2 4.26Å; F298-F302 HydrophobicContact CG-CD2 4.36Å; F298-F302 PolarHBondContact O-N 3.24Å; F302-F304 HydrophobicContact CB-CD2 4.37Å; F302-F304 HydrophobicContact CB-CE1 4.46Å; F302-F304 HydrophobicContact CB-CE2 3.69Å; F302-F304 HydrophobicContact CB-CZ 3.74Å; F302-F304 HydrophobicContact CG-CZ 4.23Å; F302-I328 HydrophobicContact CD1-CG2 4.45Å; F302-I328 HydrophobicContact CE1-CD1 4.07Å; F302-I328 HydrophobicContact CE1-CG2 3.75Å; F302-I353 HydrophobicContact CD2-CG2 3.82Å; F302-I353 HydrophobicContact CE1-CG2 4.19Å; F302-I353 HydrophobicContact CE2-CG2 3.34Å; F302-I353 HydrophobicContact CG-CG2 4.38Å; F302-I353 HydrophobicContact CZ-CG2 3.58Å; F302-V356 HydrophobicContact CZ-CB 4.42Å; F302-V356 HydrophobicContact CZ-CG1 4.4Å; F302-L357 HydrophobicContact CD2-CD2 4.2Å; F302-L357 HydrophobicContact CD2-CG 4.47Å; F302-L357 HydrophobicContact CE2-CD1 3.73Å; F302-L357 HydrophobicContact CE2-CD2 3.33Å; F302-L357 HydrophobicContact CE2-CG 3.38Å; F302-L357 HydrophobicContact CZ-CD2 3.81Å; F302-L357 HydrophobicContact CZ-CG 3.88Å
303	Q	97.9	Very high	94.5	Very high	3 Å²	3	57.1 Å²	57.1	1%	0.014	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	136.6	155.2	-177.8	64.4	51.1	0	0	109.6	Q246 G247 L249 L259 L265 A267	Q246-Q303 PolarHBondContact O-NE2 3.44Å; G247-Q303 PolarHBondContact O-NE2 3.27Å; L249-Q303 HydrophobicContact CD2-CG 3.95Å; L249-Q303 VanDerWaalsContact CD2-NE2 3.34Å; L259-Q303 HydrophobicContact CD1-CB 4.44Å; L259-Q303 HydrophobicContact CD1-CG 3.79Å; L259-Q303 HydrophobicContact CD2-CB 4.11Å; L259-Q303 HydrophobicContact CD2-CG 3.55Å; L259-Q303 HydrophobicContact CG-CG 4.29Å; L265-Q303 PolarHBondContact O-N 3.43Å; A267-Q303 PolarHBondContact N-O 2.93Å
304	F	98.2	Very high	94.3	Very high	7 Å²	7	52.3 Å²	52.3	3%	0.031	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	145.5	176.2	-61.6	-87.1	0	0	0	111.8	Y248 L249 A267 M287 V290 A291 F298 F302 I353	Y248-F304 WeakPolarHBondContact CA-O 3.33Å; Y248-F304 HydrophobicContact CD2-CB 4.02Å; L249-F304 WeakPolarHBondContact CD2-O 3.49Å; L249-F304 PolarHBondContact N-O 3.02Å; A267-F304 HydrophobicContact CB-CD1 3.67Å; A267-F304 HydrophobicContact CB-CE1 3.82Å; A267-F304 WeakPolarHBondContact O-CA 3.29Å; M287-F304 HydrophobicContact CE-CB 4.5Å; M287-F304 HydrophobicContact CE-CD1 3.87Å; M287-F304 HydrophobicContact SD-CD1 4.31Å; V290-F304 HydrophobicContact CG1-CE1 4.15Å; V290-F304 HydrophobicContact CG1-CZ 4.25Å; A291-F304 HydrophobicContact CB-CB 3.65Å; A291-F304 HydrophobicContact CB-CD2 3.78Å; A291-F304 HydrophobicContact CB-CG 3.73Å; F298-F304 HydrophobicContact CB-CE2 3.83Å; F298-F304 HydrophobicContact CB-CZ 3.83Å; F298-F304 HydrophobicContact CD2-CZ 4.1Å; F298-F304 HydrophobicContact CG-CZ 4.21Å; F302-F304 HydrophobicContact CB-CD2 4.37Å; F302-F304 HydrophobicContact CB-CE1 4.46Å; F302-F304 HydrophobicContact CB-CE2 3.69Å; F302-F304 HydrophobicContact CB-CZ 3.74Å; F302-F304 HydrophobicContact CG-CZ 4.23Å; F304-I353 HydrophobicContact CE1-CD1 3.67Å; F304-I353 HydrophobicContact CE1-CG1 4.48Å; F304-I353 HydrophobicContact CZ-CD1 4.22Å
305	G	97.9	Very high	93.9	Very high	0 Å²	0	51 Å²	51	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-172.6	-167.2	170.7	0	0	0	0	0	114.1	L249 A267 I268 A269	L249-G305 CarbonylContact O-C 3.52Å; L249-G305 WeakPolarHBondContact O-CA 3.03Å; A267-G305 PolarHBondContact O-N 2.93Å; I268-G305 WeakPolarHBondContact CA-O 3.34Å; A269-G305 PolarHBondContact N-O 3.46Å
306	H	97.8	Very high	93.6	Very high	14 Å²	14	52.2 Å²	52.2	7%	0.065	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	155.5	173.5	58.9	-65	0	0	0	111.3	Y248 L249 H250 I251 A269 I271 E273 K284	Y248-H306 AromaticContact CE1-CE1 3.84Å; Y248-H306 AromaticContact CE1-ND1 3.26Å; Y248-H306 VanDerWaalsContact CE1-ND1 3.26Å; Y248-H306 WeakPolarHBondContact CE1-ND1 3.34Å; Y248-H306 AromaticContact CZ-ND1 3.47Å; Y248-H306 VanDerWaalsContact OH-CB 3.31Å; Y248-H306 WeakPolarHBondContact OH-CB 3.48Å; Y248-H306 PolarHBondContact OH-ND1 3.34Å; L249-H306 PolarHBondContact O-N 3.32Å; L249-H306 PolarHBondContact O-ND1 3.09Å; H250-H306 CarbonylContact C-O 3.59Å; H250-H306 AromaticContact CD2-CD2 3.87Å; H250-H306 AromaticContact CD2-NE2 3.69Å; I251-H306 PolarHBondContact N-O 3.3Å; A269-H306 HydrophobicContact CB-CB 4.21Å; A269-H306 CarbonylContact O-C 3.46Å; A269-H306 WeakPolarHBondContact O-CA 3.43Å; A269-H306 VanDerWaalsContact O-CB 3.31Å; A269-H306 WeakPolarHBondContact O-CB 3.11Å; I271-H306 HydrophobicContact CD1-CB 4.13Å; I271-H306 HydrophobicContact CG1-CB 4.34Å; E273-H306 IonicContact OE1-CD2 2.69Å; E273-H306 PolarHBondContact OE1-CD2 3.32Å; E273-H306 IonicContact OE1-NE2 3.59Å; E273-H306 PolarHBondContact OE1-NE2 2.84Å; K284-H306 WeakPolarHBondContact CE-NE2 3.34Å; K284-H306 PolarHBondContact NZ-CD2 3.42Å; K284-H306 PolarHBondContact NZ-NE2 3Å
307	M	96.8	Very high	93.5	Very high	7 Å²	7	43.2 Å²	43.2	3%	0.034	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	135.8	175.8	-176.5	173.8	-68.5	0	0	109.5	I251 L256 I268 A269 I271 G309 Y312 I313	I251-M307 HydrophobicContact CG2-CE 3.95Å; I251-M307 WeakPolarHBondContact O-CB 3.49Å; I251-M307 VanDerWaalsContact O-CE 3.31Å; I251-M307 WeakPolarHBondContact O-CE 3.43Å; I251-M307 WeakPolarHBondContact O-CG 3.21Å; L256-M307 HydrophobicContact CD2-CE 4.26Å; I268-M307 HydrophobicContact CD1-CE 4.39Å; I268-M307 HydrophobicContact CG2-CB 3.69Å; A269-M307 PolarHBondContact O-N 2.85Å; I271-M307 PolarHBondContact N-O 3.1Å; I271-M307 VanDerWaalsContact N-O 3.1Å; M307-G309 PolarHBondContact O-N 3.04Å; M307-Y312 HydrophobicContact CE-CD1 4.16Å; M307-Y312 HydrophobicContact SD-CD1 4.31Å; M307-Y312 HydrophobicContact SD-CG 4.46Å; M307-I313 HydrophobicContact CE-CD1 3.96Å; M307-I313 HydrophobicContact CE-CG1 4.43Å; M307-I313 HydrophobicContact SD-CD1 3.8Å; M307-I313 HydrophobicContact SD-CG1 3.6Å
308	D	95.3	Very high	93.3	Very high	53 Å²	53	39.2 Å²	39.2	28%	0.283	20%	0.199	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	115.6	172.8	-177.2	35.1	0	0	0	110.6	I271 E273 K274	I271-D308 WeakPolarHBondContact O-CA 3.47Å; E273-D308 HydrophobicContact CB-CB 4.36Å; E273-D308 HydrophobicContact CG-CB 4.02Å; E273-D308 PolarHBondContact N-OD1 2.92Å; K274-D308 IonicContact NZ-OD2 3.53Å
309	G	93.5	Very high	92.9	Very high	19 Å²	19	40.6 Å²	40.6	20%	0.196	21%	0.214	C	C	.	.	S	Bend	trans	72.8	173	-178.3	0	0	0	0	0	114.3	I270 I271 M307	I270-G309 WeakPolarHBondContact CG2-O 3.31Å; I271-G309 PolarHBondContact O-N 3.49Å; M307-G309 PolarHBondContact O-N 3.04Å
310	N	92.4	Very high	92.7	Very high	38 Å²	38	48.1 Å²	48.1	20%	0.203	25%	0.248	C	C	.	.	S	Bend	trans	-106.8	-7.8	-175.7	61.7	-9.6	0	0	0	113.7	I270 Y312 I313 N314 V321 V323	I270-N310 HydrophobicContact CG2-CB 4.01Å; N310-Y312 VanDerWaalsContact C-N 3.31Å; N310-Y312 PolarHBondContact O-N 2.86Å; N310-I313 PolarHBondContact O-N 3.2Å; N310-I313 VanDerWaalsContact O-N 3.13Å; N310-N314 PolarHBondContact ND2-ND2 3.25Å; N310-N314 VanDerWaalsContact ND2-ND2 3.19Å; N310-N314 WeakPolarHBondContact O-CB 3.45Å; N310-N314 PolarHBondContact O-N 2.59Å; N310-N314 PolarHBondContact O-ND2 3.31Å; N310-N314 PolarHBondContact O-OD1 3.18Å; N310-V321 HydrophobicContact CB-CB 4.41Å; N310-V321 PolarHBondContact ND2-O 2.71Å; N310-V323 HydrophobicContact CB-CG2 3.86Å
311	D	90.1	Very high	92.7	Very high	135 Å²	135	40 Å²	40	72%	0.722	22%	0.218	S	C	*	.	H	α-helix	trans	-54.6	-44.6	-171.1	-74.6	-30.6	0	0	0	113	G315	D311-G315 PolarHBondContact O-N 2.85Å
312	Y	90	Very high	92.5	Very high	114 Å²	114	41.7 Å²	41.7	45%	0.447	23%	0.232	S	C	.	.	H	α-helix	trans	-66.7	-46.5	179.6	-171.3	-82.8	0	0	0	111.6	G253 L256 M307 N310 N314 G315 L316	G253-Y312 VanDerWaalsContact CA-CE2 3.42Å; L256-Y312 HydrophobicContact CD2-CD1 4.3Å; L256-Y312 HydrophobicContact CD2-CE1 3.74Å; M307-Y312 HydrophobicContact CE-CD1 4.16Å; M307-Y312 HydrophobicContact SD-CD1 4.31Å; M307-Y312 HydrophobicContact SD-CG 4.46Å; N310-Y312 VanDerWaalsContact C-N 3.31Å; N310-Y312 PolarHBondContact O-N 2.86Å; Y312-N314 PolarHBondContact O-N 2.87Å; Y312-G315 PolarHBondContact O-N 3Å; Y312-L316 PolarHBondContact O-N 3.09Å
313	I	91.3	Very high	92.3	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-64.8	-40.5	179.4	-60.3	-61.8	0	0	0	111.2	I268 I270 M307 N310 G315 L316 I317 V321 I327 L329	I268-I313 HydrophobicContact CD1-CD1 4.15Å; I270-I313 HydrophobicContact CD1-CB 4.2Å; I270-I313 HydrophobicContact CD1-CG1 3.95Å; I270-I313 HydrophobicContact CD1-CG2 4.01Å; I270-I313 HydrophobicContact CG1-CG1 4.29Å; M307-I313 HydrophobicContact CE-CD1 3.96Å; M307-I313 HydrophobicContact CE-CG1 4.43Å; M307-I313 HydrophobicContact SD-CD1 3.8Å; M307-I313 HydrophobicContact SD-CG1 3.6Å; N310-I313 PolarHBondContact O-N 3.2Å; N310-I313 VanDerWaalsContact O-N 3.13Å; I313-G315 PolarHBondContact O-N 3.37Å; I313-L316 WeakPolarHBondContact O-CB 3.34Å; I313-L316 PolarHBondContact O-N 3.07Å; I313-I317 HydrophobicContact CG2-CG2 4.14Å; I313-I317 WeakPolarHBondContact O-CG1 3.4Å; I313-I317 PolarHBondContact O-N 3.03Å; I313-V321 HydrophobicContact CG2-CG2 3.88Å; I313-I327 HydrophobicContact CG2-CD1 3.73Å; I313-L329 HydrophobicContact CD1-CD1 3.96Å
314	N	91.6	Very high	92.2	Very high	24 Å²	24	44.9 Å²	44.9	13%	0.128	25%	0.252	C	S	.	.	H	α-helix	trans	-57	-40.2	177.8	-72.1	-11.1	0	0	0	111.5	N310 Y312 M318 G319 V321	N310-N314 PolarHBondContact ND2-ND2 3.25Å; N310-N314 VanDerWaalsContact ND2-ND2 3.19Å; N310-N314 WeakPolarHBondContact O-CB 3.45Å; N310-N314 PolarHBondContact O-N 2.59Å; N310-N314 PolarHBondContact O-ND2 3.31Å; N310-N314 PolarHBondContact O-OD1 3.18Å; Y312-N314 PolarHBondContact O-N 2.87Å; N314-M318 WeakPolarHBondContact O-CA 3.26Å; N314-M318 PolarHBondContact O-N 3.31Å; N314-G319 WeakPolarHBondContact CA-O 2.71Å; N314-G319 WeakPolarHBondContact CB-O 3.22Å; N314-G319 VanDerWaalsContact CG-O 3.3Å; N314-G319 PolarHBondContact O-N 3.42Å; N314-G319 VanDerWaalsContact O-N 3.15Å; N314-G319 PolarHBondContact OD1-O 3.21Å; N314-V321 PolarHBondContact OD1-N 2.92Å
315	G	88.3	Confident	92	Very high	36 Å²	36	45.5 Å²	45.5	37%	0.371	26%	0.257	S	S	.	.	H	α-helix	trans	-64.4	-43.2	172.7	0	0	0	0	0	112.9	D311 Y312 I313	D311-G315 PolarHBondContact O-N 2.85Å; Y312-G315 PolarHBondContact O-N 3Å; I313-G315 PolarHBondContact O-N 3.37Å
316	L	87.4	Confident	92	Very high	59 Å²	59	45.8 Å²	45.8	31%	0.309	26%	0.259	S	S	.	.	H	α-helix	trans	-65.6	-46.1	-178.9	-174.7	64.5	0	0	0	112.7	L256 Y312 I313 L329	L256-L316 HydrophobicContact CD2-CD2 4.37Å; Y312-L316 PolarHBondContact O-N 3.09Å; I313-L316 WeakPolarHBondContact O-CB 3.34Å; I313-L316 PolarHBondContact O-N 3.07Å; L316-L329 HydrophobicContact CD2-CD1 3.62Å; L316-L329 HydrophobicContact CD2-CD2 4.08Å; L316-L329 HydrophobicContact CD2-CG 4.47Å
317	I	90.1	Very high	91.9	Very high	10 Å²	10	45.2 Å²	45.2	5%	0.051	26%	0.256	C	S	.	.	H	α-helix	trans	-87.8	-7.8	-177.1	74.2	164.4	0	0	0	113.5	I313 V321 I327 Y336	I313-I317 HydrophobicContact CG2-CG2 4.14Å; I313-I317 WeakPolarHBondContact O-CG1 3.4Å; I313-I317 PolarHBondContact O-N 3.03Å; I317-V321 HydrophobicContact CD1-CG2 3.29Å; I317-V321 HydrophobicContact CG1-CG2 4.29Å; I317-I327 HydrophobicContact CG2-CD1 3.88Å; I317-Y336 HydrophobicContact CB-CD1 4.08Å; I317-Y336 HydrophobicContact CB-CE1 3.74Å; I317-Y336 HydrophobicContact CB-CE2 4.32Å; I317-Y336 HydrophobicContact CD1-CE2 4.16Å; I317-Y336 HydrophobicContact CG2-CD1 3.69Å; I317-Y336 HydrophobicContact CG2-CD2 4.07Å; I317-Y336 HydrophobicContact CG2-CE1 3.89Å; I317-Y336 HydrophobicContact CG2-CE2 4.24Å; I317-Y336 HydrophobicContact CG2-CG 3.8Å
318	M	87.9	Confident	92	Very high	17 Å²	17	44.9 Å²	44.9	8%	0.084	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	55.6	47.6	-173.7	-55.4	169.2	-86.9	0	0	112.5	N314 Q371 K374 R375 F378	N314-M318 WeakPolarHBondContact O-CA 3.26Å; N314-M318 PolarHBondContact O-N 3.31Å; M318-Q371 HydrophobicContact CE-CG 4.15Å; M318-K374 HydrophobicContact SD-CG 4.33Å; M318-R375 HydrophobicContact CE-CB 4.26Å; M318-R375 WeakPolarHBondContact SD-CA 3.47Å; M318-R375 HydrophobicContact SD-CB 3.62Å; M318-R375 HydrophobicContact SD-CG 4.1Å; M318-F378 HydrophobicContact CB-CB 4.35Å; M318-F378 HydrophobicContact CB-CD1 4.18Å; M318-F378 HydrophobicContact CB-CD2 3.82Å; M318-F378 HydrophobicContact CB-CE1 4.43Å; M318-F378 HydrophobicContact CB-CE2 4.1Å; M318-F378 HydrophobicContact CB-CG 3.85Å; M318-F378 HydrophobicContact CB-CZ 4.4Å; M318-F378 HydrophobicContact CG-CB 4.05Å; M318-F378 HydrophobicContact CG-CD1 3.74Å; M318-F378 HydrophobicContact CG-CD2 4.24Å; M318-F378 HydrophobicContact CG-CE1 4.21Å; M318-F378 HydrophobicContact CG-CG 3.74Å; M318-F378 HydrophobicContact SD-CB 4.05Å; M318-F378 HydrophobicContact SD-CG 4.4Å
319	G	87.6	Confident	92	Very high	29 Å²	29	42.6 Å²	42.6	30%	0.299	24%	0.242	S	C	.	.	S	Bend	trans	-159.5	-176.8	-173.2	0	0	0	0	0	112.1	N314	N314-G319 WeakPolarHBondContact CA-O 2.71Å; N314-G319 WeakPolarHBondContact CB-O 3.22Å; N314-G319 VanDerWaalsContact CG-O 3.3Å; N314-G319 PolarHBondContact O-N 3.42Å; N314-G319 VanDerWaalsContact O-N 3.15Å; N314-G319 PolarHBondContact OD1-O 3.21Å
320	E	89.3	Confident	92.1	Very high	188 Å²	188	43.3 Å²	43.3	88%	0.879	24%	0.242	S	C	*	.			trans	-111.7	125.3	176.2	-70.6	-176.8	179.9	0	0	109.8
321	V	91	Very high	92	Very high	11 Å²	11	43.5 Å²	43.5	7%	0.067	24%	0.244	C	C	.	.			trans	-105.1	133.6	174.7	-178.2	0	0	0	0	109.7	I270 N310 I313 N314 I317 S325	I270-V321 HydrophobicContact CD1-CB 4.26Å; I270-V321 HydrophobicContact CD1-CG1 3.52Å; N310-V321 HydrophobicContact CB-CB 4.41Å; N310-V321 PolarHBondContact ND2-O 2.71Å; I313-V321 HydrophobicContact CG2-CG2 3.88Å; N314-V321 PolarHBondContact OD1-N 2.92Å; I317-V321 HydrophobicContact CD1-CG2 3.29Å; I317-V321 HydrophobicContact CG1-CG2 4.29Å; V321-S325 WeakPolarHBondContact CG1-OG 3.43Å
322	T	91.7	Very high	91.9	Very high	110 Å²	110	41.2 Å²	41.2	68%	0.675	24%	0.238	S	C	*	.			trans	-73.5	152.5	175.5	55.3	0	0	0	0	111.4	P324 S325	T322-P324 CarbonylContact O-C 3.46Å; T322-S325 WeakPolarHBondContact O-CB 3.48Å; T322-S325 PolarHBondContact O-OG 3.27Å
323	V	93.2	Very high	91.9	Very high	55 Å²	55	37.6 Å²	37.6	33%	0.333	23%	0.227	S	C	.	.	S	Bend	trans	-115.2	124.4	174.5	-171.6	0	0	0	0	108.4	I270 I271 D272 N310	I270-V323 HydrophobicContact CG2-CG2 3.95Å; I271-V323 VanDerWaalsContact C-CG1 3.46Å; D272-V323 HydrophobicContact CB-CG1 4.09Å; N310-V323 HydrophobicContact CB-CG2 3.86Å
324	P	94.6	Very high	91.7	Very high	17 Å²	17	40.8 Å²	40.8	11%	0.11	24%	0.242	C	C	.	.	S	Bend	cis	-81	155.9	-0.7	33.6	-35	0	0	0	113.7	I270 I271 Q279 L283 T322	I270-P324 CarbonylContact O-C 3.42Å; I270-P324 WeakPolarHBondContact O-CA 3.4Å; I271-P324 HydrophobicContact CG2-CB 4.36Å; Q279-P324 HydrophobicContact CB-CG 3.82Å; L283-P324 HydrophobicContact CD2-CB 4.1Å; T322-P324 CarbonylContact O-C 3.46Å
325	S	94.9	Very high	91.8	Very high	19 Å²	19	42.5 Å²	42.5	13%	0.133	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.5	168.4	172.7	59.1	0	0	0	0	112.6	I270 L283 V321 T322	I270-S325 PolarHBondContact N-O 2.81Å; I270-S325 PolarHBondContact O-N 3.21Å; L283-S325 WeakPolarHBondContact CD2-O 3.45Å; V321-S325 WeakPolarHBondContact CG1-OG 3.43Å; T322-S325 WeakPolarHBondContact O-CB 3.48Å; T322-S325 PolarHBondContact O-OG 3.27Å
326	V	96.6	Very high	92.2	Very high	7 Å²	7	42.4 Å²	42.4	4%	0.042	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	135	171.6	-179.1	0	0	0	0	109.5	I268 L283 P339 I343 L349 F352	I268-V326 WeakPolarHBondContact O-CA 3.49Å; L283-V326 HydrophobicContact CD1-CG2 3.53Å; L283-V326 HydrophobicContact CD2-CG2 3.79Å; L283-V326 HydrophobicContact CG-CG2 4.07Å; V326-P339 HydrophobicContact CB-CG 4.48Å; V326-P339 WeakPolarHBondContact O-CD 3.44Å; V326-I343 HydrophobicContact CB-CD1 4.09Å; V326-I343 HydrophobicContact CG1-CD1 4.48Å; V326-I343 HydrophobicContact CG2-CD1 3.88Å; V326-L349 HydrophobicContact CG1-CD1 4.42Å; V326-F352 HydrophobicContact CG1-CD1 4.42Å; V326-F352 HydrophobicContact CG1-CE1 3.97Å
327	I	96.7	Very high	92.6	Very high	1 Å²	1	40.4 Å²	40.4	1%	0.005	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	140.9	169.7	-166.4	166.6	0	0	0	109.5	I268 I270 I313 I317 L329 Y336 F337 M338	I268-I327 HydrophobicContact CB-CG2 3.9Å; I268-I327 PolarHBondContact N-O 2.86Å; I268-I327 PolarHBondContact O-N 2.74Å; I270-I327 HydrophobicContact CD1-CB 4.3Å; I270-I327 HydrophobicContact CD1-CG2 3.73Å; I270-I327 HydrophobicContact CG1-CG2 4.22Å; I313-I327 HydrophobicContact CG2-CD1 3.73Å; I317-I327 HydrophobicContact CG2-CD1 3.88Å; I327-L329 HydrophobicContact CD1-CD2 3.72Å; I327-L329 HydrophobicContact CG1-CD2 3.89Å; I327-L329 HydrophobicContact CG1-CG 4.44Å; I327-Y336 HydrophobicContact CD1-CD2 3.87Å; I327-Y336 HydrophobicContact CD1-CG 4.2Å; I327-Y336 HydrophobicContact CG1-CD2 4.34Å; I327-F337 WeakPolarHBondContact CA-O 3.48Å; I327-M338 HydrophobicContact CG1-CG 4.34Å
328	I	97.7	Very high	92.8	Very high	1 Å²	1	43.2 Å²	43.2	1%	0.005	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	126.4	167.7	-66.5	170.9	0	0	0	107.3	L265 V266 A267 F302 Y336 F337 F352 I353 V356	L265-I328 HydrophobicContact CB-CG2 4.12Å; L265-I328 HydrophobicContact CD1-CG2 4.42Å; V266-I328 CarbonylContact O-C 3.59Å; V266-I328 WeakPolarHBondContact O-CA 3.21Å; A267-I328 HydrophobicContact CB-CG1 3.93Å; F302-I328 HydrophobicContact CD1-CG2 4.45Å; F302-I328 HydrophobicContact CE1-CD1 4.07Å; F302-I328 HydrophobicContact CE1-CG2 3.75Å; I328-Y336 CarbonylContact O-C 3.52Å; I328-Y336 WeakPolarHBondContact O-CA 3.23Å; I328-F337 HydrophobicContact CB-CB 4.24Å; I328-F337 HydrophobicContact CB-CD2 4.31Å; I328-F337 HydrophobicContact CG2-CD2 4.09Å; I328-F337 PolarHBondContact N-O 2.95Å; I328-F337 PolarHBondContact O-N 2.95Å; I328-F352 HydrophobicContact CD1-CD1 4.01Å; I328-F352 HydrophobicContact CD1-CE1 3.49Å; I328-F352 VanDerWaalsContact CD1-CE1 3.49Å; I328-F352 HydrophobicContact CD1-CZ 3.92Å; I328-F352 HydrophobicContact CG1-CE1 3.89Å; I328-F352 HydrophobicContact CG1-CZ 4.29Å; I328-I353 HydrophobicContact CD1-CG1 4.07Å; I328-V356 HydrophobicContact CD1-CB 4.4Å; I328-V356 HydrophobicContact CD1-CG2 3.82Å; I328-V356 HydrophobicContact CG2-CG1 4.23Å
329	L	96.6	Very high	93.1	Very high	4 Å²	4	44.2 Å²	44.2	2%	0.021	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	134.3	-179.5	-61.6	178.6	0	0	0	110.7	L256 L265 V266 I268 I313 L316 I327	L256-L329 HydrophobicContact CD1-CD1 4.1Å; L256-L329 HydrophobicContact CD2-CD1 3.81Å; L265-L329 WeakPolarHBondContact CA-O 3.38Å; V266-L329 PolarHBondContact N-O 3.04Å; V266-L329 PolarHBondContact O-N 2.98Å; I268-L329 HydrophobicContact CD1-CD1 3.67Å; I268-L329 HydrophobicContact CD1-CG 4.34Å; I313-L329 HydrophobicContact CD1-CD1 3.96Å; L316-L329 HydrophobicContact CD2-CD1 3.62Å; L316-L329 HydrophobicContact CD2-CD2 4.08Å; L316-L329 HydrophobicContact CD2-CG 4.47Å; I327-L329 HydrophobicContact CD1-CD2 3.72Å; I327-L329 HydrophobicContact CG1-CD2 3.89Å; I327-L329 HydrophobicContact CG1-CG 4.44Å
330	N	95.1	Very high	93.2	Very high	35 Å²	35	48.8 Å²	48.8	19%	0.187	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	103.4	157.9	-173.8	-23.9	0	0	0	107.9	L265 S332 N333 E334 Q335	L265-N330 HydrophobicContact CD2-CB 3.48Å; L265-N330 VanDerWaalsContact CD2-CB 3.48Å; N330-S332 VanDerWaalsContact C-N 3.26Å; N330-S332 PolarHBondContact O-N 3.34Å; N330-S332 WeakPolarHBondContact OD1-CB 3.4Å; N330-S332 PolarHBondContact OD1-N 3.43Å; N330-N333 VanDerWaalsContact CB-OD1 3.26Å; N330-N333 WeakPolarHBondContact CB-OD1 3.15Å; N330-N333 PolarHBondContact ND2-ND2 3.3Å; N330-N333 PolarHBondContact ND2-OD1 3.27Å; N330-N333 PolarHBondContact OD1-OD1 3.21Å; N330-E334 VanDerWaalsContact O-CA 3.29Å; N330-E334 WeakPolarHBondContact O-CA 3.37Å; N330-E334 PolarHBondContact O-N 3.04Å; N330-Q335 HydrophobicContact CB-CB 4.19Å; N330-Q335 PolarHBondContact N-O 3.29Å; N330-Q335 PolarHBondContact O-N 3.45Å
331	T	89.8	Confident	93.1	Very high	41 Å²	41	46.9 Å²	46.9	25%	0.252	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71	-22	-177.9	51.1	0	0	0	0	112.9	L256 G260 V266	L256-T331 HydrophobicContact CD1-CG2 3.98Å; G260-T331 WeakPolarHBondContact CA-OG1 3.49Å; V266-T331 HydrophobicContact CG2-CG2 4.22Å
332	S	88.4	Confident	93.1	Very high	87 Å²	87	51 Å²	51	61%	0.608	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.9	-30.1	-176.5	-56.3	0	0	0	0	113	N330	N330-S332 VanDerWaalsContact C-N 3.26Å; N330-S332 PolarHBondContact O-N 3.34Å; N330-S332 WeakPolarHBondContact OD1-CB 3.4Å; N330-S332 PolarHBondContact OD1-N 3.43Å
333	N	89.3	Confident	93.1	Very high	39 Å²	39	46.4 Å²	46.4	21%	0.209	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	-128.7	10.4	-179.2	69.7	6.2	0	0	0	113.3	N330 Q335 G366 D367	N330-N333 VanDerWaalsContact CB-OD1 3.26Å; N330-N333 WeakPolarHBondContact CB-OD1 3.15Å; N330-N333 PolarHBondContact ND2-ND2 3.3Å; N330-N333 PolarHBondContact ND2-OD1 3.27Å; N330-N333 PolarHBondContact OD1-OD1 3.21Å; N333-Q335 VanDerWaalsContact ND2-CD 3.28Å; N333-Q335 PolarHBondContact ND2-OE1 3.4Å; N333-Q335 PolarHBondContact O-N 2.87Å; N333-Q335 VanDerWaalsContact O-N 3.1Å; N333-Q335 VanDerWaalsContact OD1-CB 3.24Å; N333-Q335 WeakPolarHBondContact OD1-CB 3.31Å; N333-Q335 VanDerWaalsContact OD1-CG 3.27Å; N333-Q335 WeakPolarHBondContact OD1-CG 2.99Å; N333-Q335 PolarHBondContact OD1-N 3.43Å; N333-Q335 VanDerWaalsContact OD1-N 3.07Å; N333-G366 CarbonylContact O-C 3.6Å; N333-G366 WeakPolarHBondContact O-CA 3.07Å; N333-D367 PolarHBondContact O-N 3.2Å; N333-D367 VanDerWaalsContact O-N 3.12Å
334	E	87.6	Confident	93.1	Very high	66 Å²	66	49.3 Å²	49.3	31%	0.308	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	58.6	24.1	176.8	-49.3	173.4	157.7	0	0	113.8	N330 G366 R375	N330-E334 VanDerWaalsContact O-CA 3.29Å; N330-E334 WeakPolarHBondContact O-CA 3.37Å; N330-E334 PolarHBondContact O-N 3.04Å; E334-G366 PolarHBondContact O-N 3.48Å; E334-R375 VanDerWaalsContact CD-NH2 3.28Å; E334-R375 IonicContact OE1-CZ 2.82Å; E334-R375 IonicContact OE1-NH1 3.74Å; E334-R375 PolarHBondContact OE1-NH1 2.92Å; E334-R375 IonicContact OE1-NH2 2.77Å; E334-R375 IonicContact OE2-CZ 3.82Å; E334-R375 IonicContact OE2-NH1 3.94Å; E334-R375 PolarHBondContact OE2-NH1 3.32Å; E334-R375 IonicContact OE2-NH2 2.71Å; E334-R375 PolarHBondContact OE2-NH2 3.14Å
335	Q	93.9	Very high	93.1	Very high	61 Å²	61	50.5 Å²	50.5	29%	0.285	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80	151.6	169.9	-68.4	178.6	-31.5	0	0	110.5	N330 N333 Y364	N330-Q335 HydrophobicContact CB-CB 4.19Å; N330-Q335 PolarHBondContact N-O 3.29Å; N330-Q335 PolarHBondContact O-N 3.45Å; N333-Q335 VanDerWaalsContact ND2-CD 3.28Å; N333-Q335 PolarHBondContact ND2-OE1 3.4Å; N333-Q335 PolarHBondContact O-N 2.87Å; N333-Q335 VanDerWaalsContact O-N 3.1Å; N333-Q335 VanDerWaalsContact OD1-CB 3.24Å; N333-Q335 WeakPolarHBondContact OD1-CB 3.31Å; N333-Q335 VanDerWaalsContact OD1-CG 3.27Å; N333-Q335 WeakPolarHBondContact OD1-CG 2.99Å; N333-Q335 PolarHBondContact OD1-N 3.43Å; N333-Q335 VanDerWaalsContact OD1-N 3.07Å; Q335-Y364 CarbonylContact C-O 3.47Å; Q335-Y364 VanDerWaalsContact CA-O 3.23Å; Q335-Y364 WeakPolarHBondContact CA-O 3.46Å
336	Y	95.8	Very high	93.2	Very high	33 Å²	33	50.6 Å²	50.6	13%	0.129	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	156.3	173.7	68.3	-84.2	0	0	0	111.9	I317 I327 I328 M338 Y364	I317-Y336 HydrophobicContact CB-CD1 4.08Å; I317-Y336 HydrophobicContact CB-CE1 3.74Å; I317-Y336 HydrophobicContact CB-CE2 4.32Å; I317-Y336 HydrophobicContact CD1-CE2 4.16Å; I317-Y336 HydrophobicContact CG2-CD1 3.69Å; I317-Y336 HydrophobicContact CG2-CD2 4.07Å; I317-Y336 HydrophobicContact CG2-CE1 3.89Å; I317-Y336 HydrophobicContact CG2-CE2 4.24Å; I317-Y336 HydrophobicContact CG2-CG 3.8Å; I327-Y336 HydrophobicContact CD1-CD2 3.87Å; I327-Y336 HydrophobicContact CD1-CG 4.2Å; I327-Y336 HydrophobicContact CG1-CD2 4.34Å; I328-Y336 CarbonylContact O-C 3.52Å; I328-Y336 WeakPolarHBondContact O-CA 3.23Å; Y336-M338 HydrophobicContact CD2-CG 4.05Å; Y336-M338 HydrophobicContact CD2-SD 4.32Å; Y336-M338 HydrophobicContact CE2-CE 3.83Å; Y336-M338 HydrophobicContact CE2-CG 4.22Å; Y336-M338 HydrophobicContact CE2-SD 3.98Å; Y336-Y364 HydrophobicContact CD2-CD2 4.45Å; Y336-Y364 HydrophobicContact CE2-CD2 4.17Å; Y336-Y364 HydrophobicContact CE2-CG 4.15Å; Y336-Y364 PolarHBondContact N-O 2.84Å; Y336-Y364 PolarHBondContact O-N 3.23Å
337	F	96.9	Very high	93.2	Very high	18 Å²	18	55.3 Å²	55.3	8%	0.079	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	138.5	-179.2	-51.1	-97.7	0	0	0	108.9	I327 I328 F352 V356 A361 Q362 A363	I327-F337 WeakPolarHBondContact CA-O 3.48Å; I328-F337 HydrophobicContact CB-CB 4.24Å; I328-F337 HydrophobicContact CB-CD2 4.31Å; I328-F337 HydrophobicContact CG2-CD2 4.09Å; I328-F337 PolarHBondContact N-O 2.95Å; I328-F337 PolarHBondContact O-N 2.95Å; F337-F352 HydrophobicContact CB-CE2 4.29Å; F337-F352 HydrophobicContact CB-CZ 4.06Å; F337-V356 HydrophobicContact CB-CG2 3.8Å; F337-V356 HydrophobicContact CD1-CG1 4.25Å; F337-V356 HydrophobicContact CD1-CG2 3.94Å; F337-V356 HydrophobicContact CD2-CG1 3.81Å; F337-V356 HydrophobicContact CD2-CG2 4.24Å; F337-V356 HydrophobicContact CE1-CG1 4.19Å; F337-V356 HydrophobicContact CE2-CG1 3.78Å; F337-V356 HydrophobicContact CG-CG1 4.06Å; F337-V356 HydrophobicContact CG-CG2 3.73Å; F337-V356 HydrophobicContact CZ-CG1 3.98Å; F337-A361 HydrophobicContact CD1-CB 3.79Å; F337-A361 HydrophobicContact CE1-CB 4.31Å; F337-Q362 WeakPolarHBondContact CD1-O 3.31Å; F337-A363 HydrophobicContact CD1-CB 4.3Å; F337-A363 HydrophobicContact CE1-CB 3.55Å; F337-A363 HydrophobicContact CZ-CB 3.88Å
338	M	95.3	Very high	93.2	Very high	68 Å²	68	58.5 Å²	58.5	34%	0.335	32%	0.317	S	S	.	.			trans	-128.4	143.8	176.1	-62.9	-176.3	-57.2	0	0	108.6	I327 Y336 Y364	I327-M338 HydrophobicContact CG1-CG 4.34Å; Y336-M338 HydrophobicContact CD2-CG 4.05Å; Y336-M338 HydrophobicContact CD2-SD 4.32Å; Y336-M338 HydrophobicContact CE2-CE 3.83Å; Y336-M338 HydrophobicContact CE2-CG 4.22Å; Y336-M338 HydrophobicContact CE2-SD 3.98Å; M338-Y364 HydrophobicContact CE-CE2 4.49Å
339	P	94.1	Very high	93.1	Very high	38 Å²	38	58.5 Å²	58.5	25%	0.247	32%	0.317	C	S	.	.			trans	-67.4	143.3	176.7	31.2	-35.9	0	0	0	109.9	V326 E341 I343 F352	V326-P339 HydrophobicContact CB-CG 4.48Å; V326-P339 WeakPolarHBondContact O-CD 3.44Å; P339-E341 VanDerWaalsContact C-N 3.26Å; P339-E341 WeakPolarHBondContact CB-O 3.33Å; P339-E341 PolarHBondContact O-N 2.85Å; P339-I343 HydrophobicContact CB-CD1 4Å; P339-I343 HydrophobicContact CB-CG1 4.08Å; P339-I343 HydrophobicContact CG-CD1 3.98Å; P339-I343 HydrophobicContact CG-CG1 4.14Å; P339-F352 HydrophobicContact CB-CD1 4.29Å; P339-F352 HydrophobicContact CB-CD2 4.13Å; P339-F352 HydrophobicContact CB-CE1 4.41Å; P339-F352 HydrophobicContact CB-CE2 4.27Å; P339-F352 HydrophobicContact CB-CG 4.15Å; P339-F352 HydrophobicContact CB-CZ 4.41Å
340	S	87.9	Confident	93.2	Very high	125 Å²	125	59.1 Å²	59.1	87%	0.874	32%	0.321	S	S	*	.	S	Bend	trans	-72.3	-23.5	177.8	-51.7	0	0	0	0	112.9
341	E	89	Confident	93.3	Very high	148 Å²	148	63.8 Å²	63.8	69%	0.692	34%	0.342	S	S	*	.	S	Bend	trans	-129.6	162.2	-179.6	-63.7	-174.6	175.4	0	0	110.4	P339	P339-E341 VanDerWaalsContact C-N 3.26Å; P339-E341 WeakPolarHBondContact CB-O 3.33Å; P339-E341 PolarHBondContact O-N 2.85Å
342	L	89.2	Confident	93.6	Very high	99 Å²	99	62.7 Å²	62.7	52%	0.518	33%	0.334	S	S	.	.			trans	-65.4	135.9	175.9	-175	67.6	0	0	0	110.2	E344 Q348	L342-E344 HydrophobicContact CD2-CG 4.42Å; L342-E344 HydrophobicContact CG-CG 4.43Å; L342-E344 PolarHBondContact O-N 3.02Å; L342-E344 VanDerWaalsContact O-N 3.12Å; L342-Q348 PolarHBondContact O-OE1 3.23Å
343	I	93.6	Very high	94	Very high	13 Å²	13	58.6 Å²	58.6	7%	0.067	31%	0.305	C	S	.	.			trans	-80.8	100.9	-179.3	-63	-176.3	0	0	0	110.4	R282 L286 V326 P339 L349 F352	R282-I343 PolarHBondContact NH2-O 2.92Å; L286-I343 HydrophobicContact CD1-CG2 4.41Å; V326-I343 HydrophobicContact CB-CD1 4.09Å; V326-I343 HydrophobicContact CG1-CD1 4.48Å; V326-I343 HydrophobicContact CG2-CD1 3.88Å; P339-I343 HydrophobicContact CB-CD1 4Å; P339-I343 HydrophobicContact CB-CG1 4.08Å; P339-I343 HydrophobicContact CG-CD1 3.98Å; P339-I343 HydrophobicContact CG-CG1 4.14Å; I343-L349 HydrophobicContact CD1-CD1 3.7Å; I343-L349 HydrophobicContact CG2-CB 3.76Å; I343-L349 HydrophobicContact CG2-CD1 4.46Å; I343-F352 HydrophobicContact CD1-CD1 4.11Å
344	E	92	Very high	94.4	Very high	115 Å²	115	58.2 Å²	58.2	54%	0.537	31%	0.305	S	S	.	.			trans	-57	-48	167.9	1.4	170.1	160.4	0	0	119.1	R282 L342	R282-E344 PolarHBondContact NH1-O 2.88Å; R282-E344 PolarHBondContact NH2-O 3.09Å; L342-E344 HydrophobicContact CD2-CG 4.42Å; L342-E344 HydrophobicContact CG-CG 4.43Å; L342-E344 PolarHBondContact O-N 3.02Å; L342-E344 VanDerWaalsContact O-N 3.12Å
345	S	95.7	Very high	94.9	Very high	42 Å²	42	56.3 Å²	56.3	29%	0.294	30%	0.299	S	S	.	.	S	Bend	trans	-157.6	164.2	-155	67.2	0	0	0	0	111.1	D347 Q348 L349	S345-D347 VanDerWaalsContact C-N 3.29Å; S345-D347 PolarHBondContact O-N 3.32Å; S345-Q348 PolarHBondContact O-N 2.96Å; S345-Q348 PolarHBondContact OG-N 3.22Å; S345-L349 PolarHBondContact O-N 3.02Å; S345-L349 VanDerWaalsContact O-N 3.11Å
346	T	96.3	Very high	95	Very high	22 Å²	22	54 Å²	54	14%	0.135	29%	0.289	C	S	.	.	H	α-helix	trans	-57.7	-43.2	175.1	-48.3	0	0	0	0	111	L286 V290 Y294 Q348 L349 V350	L286-T346 WeakPolarHBondContact CD2-OG1 3.27Å; V290-T346 HydrophobicContact CG2-CG2 3.73Å; Y294-T346 HydrophobicContact CE2-CG2 3.96Å; T346-Q348 PolarHBondContact O-N 3.22Å; T346-L349 PolarHBondContact O-N 2.94Å; T346-V350 HydrophobicContact CG2-CG2 4.28Å; T346-V350 WeakPolarHBondContact O-CB 3.39Å; T346-V350 VanDerWaalsContact O-CG2 3.26Å; T346-V350 WeakPolarHBondContact O-CG2 3.14Å; T346-V350 PolarHBondContact O-N 2.58Å
347	D	96.3	Very high	95	Very high	105 Å²	105	55.6 Å²	55.6	56%	0.561	30%	0.3	S	S	*	.	H	α-helix	trans	-61.4	-42.6	-179.9	-65.8	-21.7	0	0	0	112.4	S345 V350 Q351	S345-D347 VanDerWaalsContact C-N 3.29Å; S345-D347 PolarHBondContact O-N 3.32Å; D347-V350 PolarHBondContact O-N 2.86Å; D347-Q351 WeakPolarHBondContact O-CB 3.38Å; D347-Q351 WeakPolarHBondContact O-CG 3.26Å; D347-Q351 PolarHBondContact O-N 3.2Å
348	Q	96.8	Very high	94.9	Very high	69 Å²	69	60 Å²	60	32%	0.322	32%	0.324	S	S	.	.	H	α-helix	trans	-65.7	-40.6	176.9	-74.3	-179.2	-20.4	0	0	111.7	L342 S345 T346 Q351 F352	L342-Q348 PolarHBondContact O-OE1 3.23Å; S345-Q348 PolarHBondContact O-N 2.96Å; S345-Q348 PolarHBondContact OG-N 3.22Å; T346-Q348 PolarHBondContact O-N 3.22Å; Q348-Q351 PolarHBondContact O-N 3.15Å; Q348-F352 WeakPolarHBondContact O-CB 3.25Å; Q348-F352 PolarHBondContact O-N 3.37Å
349	L	96.9	Very high	94.8	Very high	0 Å²	0	59.7 Å²	59.7	0%	0	34%	0.339	C	S	.	.	H	α-helix	trans	-63.2	-46.7	176.3	-178	54.1	0	0	0	111.4	L286 M287 V290 V326 I343 S345 T346 Q351 F352 I353	L286-L349 HydrophobicContact CB-CD2 4.15Å; M287-L349 HydrophobicContact CG-CD2 3.96Å; M287-L349 HydrophobicContact SD-CD1 3.91Å; M287-L349 HydrophobicContact SD-CD2 3.76Å; M287-L349 HydrophobicContact SD-CG 4.39Å; V290-L349 HydrophobicContact CB-CD2 4.19Å; V290-L349 HydrophobicContact CG2-CB 4.4Å; V290-L349 HydrophobicContact CG2-CD2 3.64Å; V290-L349 HydrophobicContact CG2-CG 4.02Å; V326-L349 HydrophobicContact CG1-CD1 4.42Å; I343-L349 HydrophobicContact CD1-CD1 3.7Å; I343-L349 HydrophobicContact CG2-CB 3.76Å; I343-L349 HydrophobicContact CG2-CD1 4.46Å; S345-L349 PolarHBondContact O-N 3.02Å; S345-L349 VanDerWaalsContact O-N 3.11Å; T346-L349 PolarHBondContact O-N 2.94Å; L349-Q351 VanDerWaalsContact C-N 3.35Å; L349-Q351 PolarHBondContact O-N 3.12Å; L349-F352 PolarHBondContact O-N 3.49Å; L349-I353 HydrophobicContact CD1-CD1 3.89Å; L349-I353 HydrophobicContact CD1-CG1 4.29Å; L349-I353 HydrophobicContact CG-CD1 3.83Å; L349-I353 WeakPolarHBondContact O-CD1 3.29Å; L349-I353 VanDerWaalsContact O-CG1 3.29Å; L349-I353 WeakPolarHBondContact O-CG1 3.23Å; L349-I353 PolarHBondContact O-N 3.47Å
350	V	97.3	Very high	94.9	Very high	17 Å²	17	62 Å²	62	10%	0.103	36%	0.355	C	S	.	.	H	α-helix	trans	-62.8	-41.3	177.7	170.3	0	0	0	0	111.2	V290 Y294 F298 T346 D347 I353 S354	V290-V350 HydrophobicContact CG1-CG2 4.33Å; V290-V350 HydrophobicContact CG2-CG2 3.89Å; Y294-V350 HydrophobicContact CD1-CG1 4.3Å; Y294-V350 HydrophobicContact CD1-CG2 4.12Å; Y294-V350 HydrophobicContact CD2-CG2 4.12Å; Y294-V350 HydrophobicContact CE1-CG1 4.03Å; Y294-V350 HydrophobicContact CE1-CG2 3.89Å; Y294-V350 HydrophobicContact CE2-CG2 3.9Å; Y294-V350 HydrophobicContact CG-CG2 4.23Å; F298-V350 HydrophobicContact CE2-CG1 4.33Å; F298-V350 HydrophobicContact CE2-CG2 4.46Å; F298-V350 HydrophobicContact CZ-CG1 4.11Å; T346-V350 HydrophobicContact CG2-CG2 4.28Å; T346-V350 WeakPolarHBondContact O-CB 3.39Å; T346-V350 VanDerWaalsContact O-CG2 3.26Å; T346-V350 WeakPolarHBondContact O-CG2 3.14Å; T346-V350 PolarHBondContact O-N 2.58Å; D347-V350 PolarHBondContact O-N 2.86Å; V350-I353 PolarHBondContact O-N 3.19Å; V350-S354 VanDerWaalsContact O-CB 3.25Å; V350-S354 WeakPolarHBondContact O-CB 3.43Å; V350-S354 PolarHBondContact O-N 3.03Å; V350-S354 PolarHBondContact O-OG 3.22Å
351	Q	96.8	Very high	95.2	Very high	134 Å²	134	57 Å²	57	63%	0.626	32%	0.322	S	S	*	.	H	α-helix	trans	-62	-43.2	175.1	-77.8	173.9	6.4	0	0	111.9	D347 Q348 L349 S354 S355	D347-Q351 WeakPolarHBondContact O-CB 3.38Å; D347-Q351 WeakPolarHBondContact O-CG 3.26Å; D347-Q351 PolarHBondContact O-N 3.2Å; Q348-Q351 PolarHBondContact O-N 3.15Å; L349-Q351 VanDerWaalsContact C-N 3.35Å; L349-Q351 PolarHBondContact O-N 3.12Å; Q351-S354 PolarHBondContact O-N 3.15Å; Q351-S355 WeakPolarHBondContact O-CB 3.31Å; Q351-S355 PolarHBondContact O-N 3.2Å
352	F	97.4	Very high	95.5	Very high	18 Å²	18	56.1 Å²	56.1	8%	0.079	32%	0.318	C	S	.	.	H	α-helix	trans	-64.1	-46.7	176.4	171.4	-120.3	0	0	0	112.2	V326 I328 F337 P339 I343 Q348 L349 S354 S355 V356	V326-F352 HydrophobicContact CG1-CD1 4.42Å; V326-F352 HydrophobicContact CG1-CE1 3.97Å; I328-F352 HydrophobicContact CD1-CD1 4.01Å; I328-F352 HydrophobicContact CD1-CE1 3.49Å; I328-F352 VanDerWaalsContact CD1-CE1 3.49Å; I328-F352 HydrophobicContact CD1-CZ 3.92Å; I328-F352 HydrophobicContact CG1-CE1 3.89Å; I328-F352 HydrophobicContact CG1-CZ 4.29Å; F337-F352 HydrophobicContact CB-CE2 4.29Å; F337-F352 HydrophobicContact CB-CZ 4.06Å; P339-F352 HydrophobicContact CB-CD1 4.29Å; P339-F352 HydrophobicContact CB-CD2 4.13Å; P339-F352 HydrophobicContact CB-CE1 4.41Å; P339-F352 HydrophobicContact CB-CE2 4.27Å; P339-F352 HydrophobicContact CB-CG 4.15Å; P339-F352 HydrophobicContact CB-CZ 4.41Å; I343-F352 HydrophobicContact CD1-CD1 4.11Å; Q348-F352 WeakPolarHBondContact O-CB 3.25Å; Q348-F352 PolarHBondContact O-N 3.37Å; L349-F352 PolarHBondContact O-N 3.49Å; F352-S354 VanDerWaalsContact C-N 3.3Å; F352-S354 PolarHBondContact O-N 3.07Å; F352-S355 PolarHBondContact O-N 3.3Å; F352-S355 PolarHBondContact O-OG 2.94Å; F352-V356 HydrophobicContact CE2-CG2 4.21Å; F352-V356 HydrophobicContact CZ-CG2 4.43Å; F352-V356 PolarHBondContact O-N 3.39Å
353	I	97.2	Very high	95.7	Very high	1 Å²	1	53.5 Å²	53.5	1%	0.005	31%	0.31	C	S	.	.	H	α-helix	trans	-61.1	-43	177	-66.7	159.3	0	0	0	110.5	V290 F298 F302 F304 I328 L349 V350 S355 V356 L357	V290-I353 HydrophobicContact CG1-CD1 3.75Å; F298-I353 HydrophobicContact CD1-CG2 3.81Å; F298-I353 HydrophobicContact CD2-CG2 4.25Å; F298-I353 HydrophobicContact CE1-CG2 3.65Å; F298-I353 HydrophobicContact CE2-CG2 4.11Å; F298-I353 HydrophobicContact CG-CG2 4.12Å; F298-I353 HydrophobicContact CZ-CB 4.27Å; F298-I353 HydrophobicContact CZ-CG2 3.81Å; F302-I353 HydrophobicContact CD2-CG2 3.82Å; F302-I353 HydrophobicContact CE1-CG2 4.19Å; F302-I353 HydrophobicContact CE2-CG2 3.34Å; F302-I353 HydrophobicContact CG-CG2 4.38Å; F302-I353 HydrophobicContact CZ-CG2 3.58Å; F304-I353 HydrophobicContact CE1-CD1 3.67Å; F304-I353 HydrophobicContact CE1-CG1 4.48Å; F304-I353 HydrophobicContact CZ-CD1 4.22Å; I328-I353 HydrophobicContact CD1-CG1 4.07Å; L349-I353 HydrophobicContact CD1-CD1 3.89Å; L349-I353 HydrophobicContact CD1-CG1 4.29Å; L349-I353 HydrophobicContact CG-CD1 3.83Å; L349-I353 WeakPolarHBondContact O-CD1 3.29Å; L349-I353 VanDerWaalsContact O-CG1 3.29Å; L349-I353 WeakPolarHBondContact O-CG1 3.23Å; L349-I353 PolarHBondContact O-N 3.47Å; V350-I353 PolarHBondContact O-N 3.19Å; I353-S355 VanDerWaalsContact C-N 3.32Å; I353-S355 PolarHBondContact O-N 2.84Å; I353-V356 PolarHBondContact O-N 3.44Å; I353-L357 PolarHBondContact O-N 2.9Å
354	S	97	Very high	95.7	Very high	30 Å²	30	56.4 Å²	56.4	21%	0.21	32%	0.321	C	S	.	.	H	α-helix	trans	-66.3	-33.3	178.5	-58	0	0	0	0	112.7	V350 Q351 F352 V356 L357 N358	V350-S354 VanDerWaalsContact O-CB 3.25Å; V350-S354 WeakPolarHBondContact O-CB 3.43Å; V350-S354 PolarHBondContact O-N 3.03Å; V350-S354 PolarHBondContact O-OG 3.22Å; Q351-S354 PolarHBondContact O-N 3.15Å; F352-S354 VanDerWaalsContact C-N 3.3Å; F352-S354 PolarHBondContact O-N 3.07Å; S354-V356 VanDerWaalsContact C-N 3.29Å; S354-V356 PolarHBondContact O-N 3.21Å; S354-L357 PolarHBondContact O-N 3.37Å; S354-N358 VanDerWaalsContact O-CG 3.22Å; S354-N358 PolarHBondContact O-N 2.91Å; S354-N358 PolarHBondContact O-ND2 2.95Å; S354-N358 PolarHBondContact O-OD1 3.13Å
355	S	97.2	Very high	95.7	Very high	27 Å²	27	52.5 Å²	52.5	19%	0.189	31%	0.312	C	S	.	.	H	α-helix	trans	-70.6	-26.1	176.5	74.7	0	0	0	0	112.6	Q351 F352 I353 N358 G359 S360 A361	Q351-S355 WeakPolarHBondContact O-CB 3.31Å; Q351-S355 PolarHBondContact O-N 3.2Å; F352-S355 PolarHBondContact O-N 3.3Å; F352-S355 PolarHBondContact O-OG 2.94Å; I353-S355 VanDerWaalsContact C-N 3.32Å; I353-S355 PolarHBondContact O-N 2.84Å; S355-N358 VanDerWaalsContact C-OD1 3.31Å; S355-N358 VanDerWaalsContact CA-OD1 3.28Å; S355-N358 WeakPolarHBondContact CA-OD1 3.38Å; S355-N358 PolarHBondContact O-OD1 2.96Å; S355-G359 PolarHBondContact O-N 2.97Å; S355-S360 WeakPolarHBondContact CB-OG 3.33Å; S355-S360 PolarHBondContact O-N 3.1Å; S355-S360 PolarHBondContact O-OG 3.25Å; S355-A361 WeakPolarHBondContact O-CB 3.11Å; S355-A361 PolarHBondContact O-N 2.83Å
356	V	96.9	Very high	95.4	Very high	11 Å²	11	50.8 Å²	50.8	7%	0.067	30%	0.301	C	S	.	.	H	α-helix	trans	-70.7	-46.3	169.6	178.6	0	0	0	0	110.7	L265 F302 I328 F337 F352 I353 S354 N358 G359 A361	L265-V356 HydrophobicContact CD1-CG1 3.76Å; F302-V356 HydrophobicContact CZ-CB 4.42Å; F302-V356 HydrophobicContact CZ-CG1 4.4Å; I328-V356 HydrophobicContact CD1-CB 4.4Å; I328-V356 HydrophobicContact CD1-CG2 3.82Å; I328-V356 HydrophobicContact CG2-CG1 4.23Å; F337-V356 HydrophobicContact CB-CG2 3.8Å; F337-V356 HydrophobicContact CD1-CG1 4.25Å; F337-V356 HydrophobicContact CD1-CG2 3.94Å; F337-V356 HydrophobicContact CD2-CG1 3.81Å; F337-V356 HydrophobicContact CD2-CG2 4.24Å; F337-V356 HydrophobicContact CE1-CG1 4.19Å; F337-V356 HydrophobicContact CE2-CG1 3.78Å; F337-V356 HydrophobicContact CG-CG1 4.06Å; F337-V356 HydrophobicContact CG-CG2 3.73Å; F337-V356 HydrophobicContact CZ-CG1 3.98Å; F352-V356 HydrophobicContact CE2-CG2 4.21Å; F352-V356 HydrophobicContact CZ-CG2 4.43Å; F352-V356 PolarHBondContact O-N 3.39Å; I353-V356 PolarHBondContact O-N 3.44Å; S354-V356 VanDerWaalsContact C-N 3.29Å; S354-V356 PolarHBondContact O-N 3.21Å; V356-N358 PolarHBondContact O-N 2.93Å; V356-G359 PolarHBondContact O-N 2.79Å; V356-G359 VanDerWaalsContact O-N 3.15Å; V356-A361 HydrophobicContact CB-CB 4.4Å; V356-A361 HydrophobicContact CG2-CB 3.71Å
357	L	94.5	Very high	94.9	Very high	68 Å²	68	53.1 Å²	53.1	36%	0.356	31%	0.312	S	S	.	.	H	α-helix	trans	-60.6	-41.9	179.6	-72.9	179.2	0	0	0	113.7	F298 D301 F302 I353 S354 G359	F298-L357 HydrophobicContact CD1-CD1 3.82Å; F298-L357 HydrophobicContact CE1-CD1 3.83Å; D301-L357 HydrophobicContact CB-CD2 3.54Å; F302-L357 HydrophobicContact CD2-CD2 4.2Å; F302-L357 HydrophobicContact CD2-CG 4.47Å; F302-L357 HydrophobicContact CE2-CD1 3.73Å; F302-L357 HydrophobicContact CE2-CD2 3.33Å; F302-L357 HydrophobicContact CE2-CG 3.38Å; F302-L357 HydrophobicContact CZ-CD2 3.81Å; F302-L357 HydrophobicContact CZ-CG 3.88Å; I353-L357 PolarHBondContact O-N 2.9Å; S354-L357 PolarHBondContact O-N 3.37Å; L357-G359 PolarHBondContact O-N 3.4Å
358	N	95.2	Very high	94.6	Very high	109 Å²	109	50 Å²	50	58%	0.583	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82	0.5	-178.3	71.6	15.3	0	0	0	113.1	S354 S355 V356 S360	S354-N358 VanDerWaalsContact O-CG 3.22Å; S354-N358 PolarHBondContact O-N 2.91Å; S354-N358 PolarHBondContact O-ND2 2.95Å; S354-N358 PolarHBondContact O-OD1 3.13Å; S355-N358 VanDerWaalsContact C-OD1 3.31Å; S355-N358 VanDerWaalsContact CA-OD1 3.28Å; S355-N358 WeakPolarHBondContact CA-OD1 3.38Å; S355-N358 PolarHBondContact O-OD1 2.96Å; V356-N358 PolarHBondContact O-N 2.93Å; N358-S360 VanDerWaalsContact C-N 3.3Å; N358-S360 PolarHBondContact O-N 3.43Å; N358-S360 VanDerWaalsContact OD1-CB 3.23Å; N358-S360 WeakPolarHBondContact OD1-CB 3.5Å; N358-S360 PolarHBondContact OD1-N 3.31Å; N358-S360 PolarHBondContact OD1-OG 3.25Å
359	G	94.7	Very high	94.2	Very high	63 Å²	63	54.2 Å²	54.2	65%	0.649	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	73.4	13	178.2	0	0	0	0	0	115.2	S355 V356 L357	S355-G359 PolarHBondContact O-N 2.97Å; V356-G359 PolarHBondContact O-N 2.79Å; V356-G359 VanDerWaalsContact O-N 3.15Å; L357-G359 PolarHBondContact O-N 3.4Å
360	S	95.3	Very high	93.7	Very high	85 Å²	85	60.9 Å²	60.9	59%	0.594	36%	0.356	S	S	*	.			trans	-85.8	-20.4	177.7	64.8	0	0	0	0	113.6	S355 N358	S355-S360 WeakPolarHBondContact CB-OG 3.33Å; S355-S360 PolarHBondContact O-N 3.1Å; S355-S360 PolarHBondContact O-OG 3.25Å; N358-S360 VanDerWaalsContact C-N 3.3Å; N358-S360 PolarHBondContact O-N 3.43Å; N358-S360 VanDerWaalsContact OD1-CB 3.23Å; N358-S360 WeakPolarHBondContact OD1-CB 3.5Å; N358-S360 PolarHBondContact OD1-N 3.31Å; N358-S360 PolarHBondContact OD1-OG 3.25Å
361	A	94.6	Very high	93.3	Very high	20 Å²	20	61.8 Å²	61.8	17%	0.165	36%	0.359	C	S	.	.	S	Bend	trans	-67.9	142.1	175	0	0	0	0	0	111.7	F337 S355 V356 A363	F337-A361 HydrophobicContact CD1-CB 3.79Å; F337-A361 HydrophobicContact CE1-CB 4.31Å; S355-A361 WeakPolarHBondContact O-CB 3.11Å; S355-A361 PolarHBondContact O-N 2.83Å; V356-A361 HydrophobicContact CB-CB 4.4Å; V356-A361 HydrophobicContact CG2-CB 3.71Å; A361-A363 PolarHBondContact O-N 3.32Å
362	Q	94.4	Very high	92.9	Very high	130 Å²	130	62.6 Å²	62.6	61%	0.607	36%	0.357	S	S	*	.	P	Polyproline II helix	trans	-68.8	117.3	174.1	-175	172.4	17.8	0	0	110.2	F337 Y364	F337-Q362 WeakPolarHBondContact CD1-O 3.31Å; Q362-Y364 HydrophobicContact CB-CE2 4.33Å; Q362-Y364 VanDerWaalsContact CD-CE1 3.48Å; Q362-Y364 VanDerWaalsContact CD-CZ 3.5Å; Q362-Y364 VanDerWaalsContact CD-OH 3.28Å; Q362-Y364 HydrophobicContact CG-CD1 4.47Å; Q362-Y364 HydrophobicContact CG-CE1 3.86Å; Q362-Y364 HydrophobicContact CG-CE2 4.2Å; Q362-Y364 PolarHBondContact OE1-OH 3.41Å
363	A	94.4	Very high	92.5	Very high	44 Å²	44	66.2 Å²	66.2	36%	0.364	38%	0.376	S	S	.	.	P	Polyproline II helix	trans	-80.8	134.8	171.2	0	0	0	0	0	110.6	F337 A361	F337-A363 HydrophobicContact CD1-CB 4.3Å; F337-A363 HydrophobicContact CE1-CB 3.55Å; F337-A363 HydrophobicContact CZ-CB 3.88Å; A361-A363 PolarHBondContact O-N 3.32Å
364	Y	93.6	Very high	92.1	Very high	75 Å²	75	71.4 Å²	71.4	29%	0.294	40%	0.399	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	166.3	171	-54.9	-80.9	0	0	0	110.1	Q335 Y336 M338 Q362	Q335-Y364 CarbonylContact C-O 3.47Å; Q335-Y364 VanDerWaalsContact CA-O 3.23Å; Q335-Y364 WeakPolarHBondContact CA-O 3.46Å; Y336-Y364 HydrophobicContact CD2-CD2 4.45Å; Y336-Y364 HydrophobicContact CE2-CD2 4.17Å; Y336-Y364 HydrophobicContact CE2-CG 4.15Å; Y336-Y364 PolarHBondContact N-O 2.84Å; Y336-Y364 PolarHBondContact O-N 3.23Å; M338-Y364 HydrophobicContact CE-CE2 4.49Å; Q362-Y364 HydrophobicContact CB-CE2 4.33Å; Q362-Y364 VanDerWaalsContact CD-CE1 3.48Å; Q362-Y364 VanDerWaalsContact CD-CZ 3.5Å; Q362-Y364 VanDerWaalsContact CD-OH 3.28Å; Q362-Y364 HydrophobicContact CG-CD1 4.47Å; Q362-Y364 HydrophobicContact CG-CE1 3.86Å; Q362-Y364 HydrophobicContact CG-CE2 4.2Å; Q362-Y364 PolarHBondContact OE1-OH 3.41Å
365	G	90.9	Very high	91.7	Very high	33 Å²	33	72.6 Å²	72.6	34%	0.34	40%	0.399	S	S	.	.	E	Extended strand (participates in β ladder)	trans	75.6	-136.9	179.6	0	0	0	0	0	112.7
366	G	89.1	Confident	91.3	Very high	6 Å²	6	76.3 Å²	76.3	6%	0.062	42%	0.42	C	S	.	.			trans	110.6	173.1	-176.2	0	0	0	0	0	113.8	N333 E334 Q371	N333-G366 CarbonylContact O-C 3.6Å; N333-G366 WeakPolarHBondContact O-CA 3.07Å; E334-G366 PolarHBondContact O-N 3.48Å; G366-Q371 WeakPolarHBondContact O-CG 3.38Å
367	D	86.8	Confident	90.9	Very high	70 Å²	70	78.6 Å²	78.6	37%	0.374	44%	0.44	S	S	.	.	S	Bend	trans	-109.3	13.1	-178.8	72.8	-35.9	0	0	0	113	N333 R372	N333-D367 PolarHBondContact O-N 3.2Å; N333-D367 VanDerWaalsContact O-N 3.12Å; D367-R372 PolarHBondContact O-NE 3.5Å; D367-R372 PolarHBondContact O-NH2 3.02Å; D367-R372 IonicContact OD2-NH2 2.65Å
368	G	89.3	Confident	90.6	Very high	39 Å²	39	78.5 Å²	78.5	40%	0.402	44%	0.437	S	S	.	.	S	Bend	trans	-64.8	161.1	-178.7	0	0	0	0	0	114	I370 Q371 R372	G368-I370 PolarHBondContact O-N 2.88Å; G368-Q371 WeakPolarHBondContact O-CA 3.35Å; G368-Q371 WeakPolarHBondContact O-CB 3.34Å; G368-Q371 PolarHBondContact O-N 2.88Å; G368-R372 PolarHBondContact O-N 3.18Å
369	F	87.9	Confident	90.2	Very high	159 Å²	159	76.9 Å²	76.9	70%	0.697	43%	0.428	S	S	*	.	H	α-helix	trans	-53	-47	-174.5	-179.1	-101.4	0	0	0	114.1	Q371 R372 I373	F369-Q371 VanDerWaalsContact C-N 3.26Å; F369-Q371 PolarHBondContact O-N 2.81Å; F369-R372 PolarHBondContact O-N 2.83Å; F369-I373 HydrophobicContact CD1-CD1 3.95Å; F369-I373 HydrophobicContact CE1-CD1 3.36Å; F369-I373 HydrophobicContact CE1-CG1 4.38Å; F369-I373 HydrophobicContact CE2-CD1 4.46Å; F369-I373 HydrophobicContact CZ-CD1 3.66Å; F369-I373 HydrophobicContact CZ-CG1 4.43Å; F369-I373 PolarHBondContact O-N 3.42Å; F369-I373 VanDerWaalsContact O-N 3.11Å
370	I	87.8	Confident	89.9	Confident	140 Å²	140	76.1 Å²	76.1	72%	0.718	42%	0.415	S	S	*	.	H	α-helix	trans	-60.7	-40.1	177.9	-63.4	172.1	0	0	0	110.6	G368 I373 K374	G368-I370 PolarHBondContact O-N 2.88Å; I370-I373 PolarHBondContact O-N 3.44Å; I370-K374 PolarHBondContact O-N 3.2Å
371	Q	88.4	Confident	89.6	Confident	35 Å²	35	80.6 Å²	80.6	16%	0.164	42%	0.42	C	S	.	.	H	α-helix	trans	-71.7	-33.9	-178.4	-164.7	64.2	2.6	0	0	111.8	M318 G366 G368 F369 K374 R375	M318-Q371 HydrophobicContact CE-CG 4.15Å; G366-Q371 WeakPolarHBondContact O-CG 3.38Å; G368-Q371 WeakPolarHBondContact O-CA 3.35Å; G368-Q371 WeakPolarHBondContact O-CB 3.34Å; G368-Q371 PolarHBondContact O-N 2.88Å; F369-Q371 VanDerWaalsContact C-N 3.26Å; F369-Q371 PolarHBondContact O-N 2.81Å; Q371-K374 WeakPolarHBondContact O-CB 3.4Å; Q371-K374 PolarHBondContact O-N 3.38Å; Q371-R375 PolarHBondContact O-N 2.98Å
372	R	87.9	Confident	89.1	Confident	151 Å²	151	82 Å²	82	57%	0.57	43%	0.428	S	S	*	.	H	α-helix	trans	-63	-44.2	170.9	-66	-178.4	-167.9	-176.2	0	112	D367 G368 F369 K374 R375 V376	D367-R372 PolarHBondContact O-NE 3.5Å; D367-R372 PolarHBondContact O-NH2 3.02Å; D367-R372 IonicContact OD2-NH2 2.65Å; G368-R372 PolarHBondContact O-N 3.18Å; F369-R372 PolarHBondContact O-N 2.83Å; R372-K374 VanDerWaalsContact C-N 3.32Å; R372-K374 PolarHBondContact O-N 3.31Å; R372-R375 PolarHBondContact O-N 3.31Å; R372-V376 WeakPolarHBondContact O-CG2 3.38Å; R372-V376 PolarHBondContact O-N 3.45Å
373	I	89.1	Confident	88.6	Confident	95 Å²	95	79.7 Å²	79.7	49%	0.487	42%	0.423	S	S	.	.	H	α-helix	trans	-60.8	-44.8	174.6	-67.5	174.3	0	0	0	110.3	F369 I370 R375 V376 A377	F369-I373 HydrophobicContact CD1-CD1 3.95Å; F369-I373 HydrophobicContact CE1-CD1 3.36Å; F369-I373 HydrophobicContact CE1-CG1 4.38Å; F369-I373 HydrophobicContact CE2-CD1 4.46Å; F369-I373 HydrophobicContact CZ-CD1 3.66Å; F369-I373 HydrophobicContact CZ-CG1 4.43Å; F369-I373 PolarHBondContact O-N 3.42Å; F369-I373 VanDerWaalsContact O-N 3.11Å; I370-I373 PolarHBondContact O-N 3.44Å; I373-R375 VanDerWaalsContact C-N 3.27Å; I373-R375 PolarHBondContact O-N 3.25Å; I373-V376 PolarHBondContact O-N 2.87Å; I373-A377 PolarHBondContact O-N 3.16Å
374	K	88.9	Confident	88.3	Confident	110 Å²	110	80.7 Å²	80.7	48%	0.478	42%	0.422	S	S	.	.	H	α-helix	trans	-57.8	-41.2	176.6	-170.2	-175	178.1	-171.6	0	111.6	M318 I370 Q371 R372 A377 F378	M318-K374 HydrophobicContact SD-CG 4.33Å; I370-K374 PolarHBondContact O-N 3.2Å; Q371-K374 WeakPolarHBondContact O-CB 3.4Å; Q371-K374 PolarHBondContact O-N 3.38Å; R372-K374 VanDerWaalsContact C-N 3.32Å; R372-K374 PolarHBondContact O-N 3.31Å; K374-A377 PolarHBondContact O-N 3.37Å; K374-F378 WeakPolarHBondContact O-CB 3.25Å; K374-F378 PolarHBondContact O-N 3.41Å
375	R	88.8	Confident	87.8	Confident	55 Å²	55	83 Å²	83	21%	0.208	44%	0.436	C	S	.	.	H	α-helix	trans	-64	-47.3	176.1	-174.4	171.7	-66.2	150.5	7.1	112.9	M318 E334 Q371 R372 I373 A377 F378 D379	M318-R375 HydrophobicContact CE-CB 4.26Å; M318-R375 WeakPolarHBondContact SD-CA 3.47Å; M318-R375 HydrophobicContact SD-CB 3.62Å; M318-R375 HydrophobicContact SD-CG 4.1Å; E334-R375 VanDerWaalsContact CD-NH2 3.28Å; E334-R375 IonicContact OE1-CZ 2.82Å; E334-R375 IonicContact OE1-NH1 3.74Å; E334-R375 PolarHBondContact OE1-NH1 2.92Å; E334-R375 IonicContact OE1-NH2 2.77Å; E334-R375 IonicContact OE2-CZ 3.82Å; E334-R375 IonicContact OE2-NH1 3.94Å; E334-R375 PolarHBondContact OE2-NH1 3.32Å; E334-R375 IonicContact OE2-NH2 2.71Å; E334-R375 PolarHBondContact OE2-NH2 3.14Å; Q371-R375 PolarHBondContact O-N 2.98Å; R372-R375 PolarHBondContact O-N 3.31Å; I373-R375 VanDerWaalsContact C-N 3.27Å; I373-R375 PolarHBondContact O-N 3.25Å; R375-A377 VanDerWaalsContact C-N 3.26Å; R375-A377 PolarHBondContact O-N 2.95Å; R375-F378 WeakPolarHBondContact O-CB 3.38Å; R375-F378 PolarHBondContact O-N 3.19Å; R375-F378 VanDerWaalsContact O-N 3.08Å; R375-D379 WeakPolarHBondContact CG-OD2 3.48Å; R375-D379 WeakPolarHBondContact O-CB 3.46Å; R375-D379 PolarHBondContact O-N 2.84Å
376	V	88.3	Confident	87.4	Confident	104 Å²	104	84.6 Å²	84.6	63%	0.63	44%	0.442	S	S	*	.	H	α-helix	trans	-56.8	-43.7	176.1	173.8	0	0	0	0	111	R372 I373 A380	R372-V376 WeakPolarHBondContact O-CG2 3.38Å; R372-V376 PolarHBondContact O-N 3.45Å; I373-V376 PolarHBondContact O-N 2.87Å; V376-A380 VanDerWaalsContact O-CB 3.29Å; V376-A380 WeakPolarHBondContact O-CB 3.3Å; V376-A380 PolarHBondContact O-N 2.93Å
377	A	89.2	Confident	87.3	Confident	60 Å²	60	86 Å²	86	50%	0.496	45%	0.45	S	S	.	.	H	α-helix	trans	-65.3	-40.6	176.6	0	0	0	0	0	112.6	I373 K374 R375 R381	I373-A377 PolarHBondContact O-N 3.16Å; K374-A377 PolarHBondContact O-N 3.37Å; R375-A377 VanDerWaalsContact C-N 3.26Å; R375-A377 PolarHBondContact O-N 2.95Å; A377-R381 WeakPolarHBondContact O-CB 3.49Å; A377-R381 PolarHBondContact O-N 3.41Å
378	F	89	Confident	87.4	Confident	66 Å²	66	86.1 Å²	86.1	29%	0.289	45%	0.447	S	S	.	.	H	α-helix	trans	-63.6	-47.5	176.5	178.7	-94.7	0	0	0	111.7	M318 K374 R375 R381 S382	M318-F378 HydrophobicContact CB-CB 4.35Å; M318-F378 HydrophobicContact CB-CD1 4.18Å; M318-F378 HydrophobicContact CB-CD2 3.82Å; M318-F378 HydrophobicContact CB-CE1 4.43Å; M318-F378 HydrophobicContact CB-CE2 4.1Å; M318-F378 HydrophobicContact CB-CG 3.85Å; M318-F378 HydrophobicContact CB-CZ 4.4Å; M318-F378 HydrophobicContact CG-CB 4.05Å; M318-F378 HydrophobicContact CG-CD1 3.74Å; M318-F378 HydrophobicContact CG-CD2 4.24Å; M318-F378 HydrophobicContact CG-CE1 4.21Å; M318-F378 HydrophobicContact CG-CG 3.74Å; M318-F378 HydrophobicContact SD-CB 4.05Å; M318-F378 HydrophobicContact SD-CG 4.4Å; K374-F378 WeakPolarHBondContact O-CB 3.25Å; K374-F378 PolarHBondContact O-N 3.41Å; R375-F378 WeakPolarHBondContact O-CB 3.38Å; R375-F378 PolarHBondContact O-N 3.19Å; R375-F378 VanDerWaalsContact O-N 3.08Å; F378-R381 PolarHBondContact O-N 3.22Å; F378-S382 WeakPolarHBondContact O-CB 3.33Å; F378-S382 PolarHBondContact O-N 3.38Å; F378-S382 PolarHBondContact O-OG 3.36Å
379	D	86.9	Confident	87.2	Confident	74 Å²	74	95.1 Å²	95.1	40%	0.396	47%	0.469	S	S	.	.	H	α-helix	trans	-65.3	-40.2	179.5	-69	-19.2	0	0	0	111.7	R375 S382 T383	R375-D379 WeakPolarHBondContact CG-OD2 3.48Å; R375-D379 WeakPolarHBondContact O-CB 3.46Å; R375-D379 PolarHBondContact O-N 2.84Å; D379-S382 WeakPolarHBondContact CA-OG 3.32Å; D379-S382 PolarHBondContact O-OG 3.42Å; D379-T383 WeakPolarHBondContact O-CB 3.29Å; D379-T383 PolarHBondContact O-N 2.93Å; D379-T383 PolarHBondContact O-OG1 2.85Å
380	A	87.3	Confident	87.2	Confident	47 Å²	47	92.2 Å²	92.2	39%	0.388	47%	0.468	S	S	.	.	H	α-helix	trans	-61.6	-48.3	173.3	0	0	0	0	0	110.9	V376 T383 I384	V376-A380 VanDerWaalsContact O-CB 3.29Å; V376-A380 WeakPolarHBondContact O-CB 3.3Å; V376-A380 PolarHBondContact O-N 2.93Å; A380-T383 PolarHBondContact O-N 2.9Å; A380-I384 WeakPolarHBondContact O-CB 3.29Å; A380-I384 WeakPolarHBondContact O-CD1 3.25Å; A380-I384 WeakPolarHBondContact O-CG1 3.48Å; A380-I384 PolarHBondContact O-N 2.91Å
381	R	88.6	Confident	87.3	Confident	180 Å²	180	87.8 Å²	87.8	68%	0.679	45%	0.449	S	S	*	.	H	α-helix	trans	-61.9	-46.4	178.6	-178.7	-178	174.6	-172.2	-2.4	111.7	A377 F378 I384 M385	A377-R381 WeakPolarHBondContact O-CB 3.49Å; A377-R381 PolarHBondContact O-N 3.41Å; F378-R381 PolarHBondContact O-N 3.22Å; R381-I384 PolarHBondContact O-N 2.85Å; R381-M385 VanDerWaalsContact O-CB 3.23Å; R381-M385 WeakPolarHBondContact O-CB 3.43Å; R381-M385 PolarHBondContact O-N 2.96Å
382	S	84.8	Confident	87.3	Confident	50 Å²	50	89.9 Å²	89.9	35%	0.35	47%	0.466	S	S	.	.	H	α-helix	trans	-66.3	-40.6	-178.3	67.9	0	0	0	0	111.3	F378 D379 M385 S386	F378-S382 WeakPolarHBondContact O-CB 3.33Å; F378-S382 PolarHBondContact O-N 3.38Å; F378-S382 PolarHBondContact O-OG 3.36Å; D379-S382 WeakPolarHBondContact CA-OG 3.32Å; D379-S382 PolarHBondContact O-OG 3.42Å; S382-M385 PolarHBondContact O-N 3.26Å; S382-S386 WeakPolarHBondContact O-CB 3.34Å; S382-S386 PolarHBondContact O-N 3.44Å
383	T	84.4	Confident	87.3	Confident	80 Å²	80	89.8 Å²	89.8	49%	0.491	48%	0.476	S	S	.	.	H	α-helix	trans	-63	-50.5	175.2	-59.6	0	0	0	0	111.2	D379 A380 M385 S386 V387	D379-T383 WeakPolarHBondContact O-CB 3.29Å; D379-T383 PolarHBondContact O-N 2.93Å; D379-T383 PolarHBondContact O-OG1 2.85Å; A380-T383 PolarHBondContact O-N 2.9Å; T383-M385 VanDerWaalsContact C-N 3.34Å; T383-M385 PolarHBondContact O-N 3.18Å; T383-S386 WeakPolarHBondContact O-CB 3.32Å; T383-S386 PolarHBondContact O-N 3.43Å; T383-V387 WeakPolarHBondContact O-CG2 3.24Å; T383-V387 PolarHBondContact O-N 2.85Å
384	I	86.4	Confident	87.1	Confident	66 Å²	66	89.8 Å²	89.8	34%	0.338	48%	0.477	S	S	.	.	H	α-helix	trans	-56.4	-52.3	176.9	-70.6	165.9	0	0	0	109.3	A380 R381 S386 V387 F388 F399	A380-I384 WeakPolarHBondContact O-CB 3.29Å; A380-I384 WeakPolarHBondContact O-CD1 3.25Å; A380-I384 WeakPolarHBondContact O-CG1 3.48Å; A380-I384 PolarHBondContact O-N 2.91Å; R381-I384 PolarHBondContact O-N 2.85Å; I384-S386 VanDerWaalsContact C-N 3.29Å; I384-S386 PolarHBondContact O-N 2.9Å; I384-V387 PolarHBondContact O-N 3.44Å; I384-V387 VanDerWaalsContact O-N 3.13Å; I384-F388 HydrophobicContact CG2-CD2 3.62Å; I384-F388 HydrophobicContact CG2-CE2 3.67Å; I384-F388 VanDerWaalsContact O-CD2 3.26Å; I384-F388 WeakPolarHBondContact O-CD2 3.06Å; I384-F388 PolarHBondContact O-N 3.25Å; I384-F399 HydrophobicContact CB-CE2 4.46Å; I384-F399 HydrophobicContact CB-CZ 4.49Å; I384-F399 HydrophobicContact CG1-CD1 4.22Å; I384-F399 HydrophobicContact CG1-CD2 4.5Å; I384-F399 HydrophobicContact CG1-CE1 3.8Å; I384-F399 HydrophobicContact CG1-CE2 4.1Å; I384-F399 HydrophobicContact CG1-CZ 3.74Å; I384-F399 HydrophobicContact CG2-CD2 4.45Å; I384-F399 HydrophobicContact CG2-CE2 4.45Å
385	M	83.5	Confident	87	Confident	122 Å²	122	84.5 Å²	84.5	60%	0.601	45%	0.454	S	S	*	.	H	α-helix	trans	-62.2	-36.2	-177.8	-161.7	157.5	-174.5	0	0	112.5	R381 S382 T383 R389	R381-M385 VanDerWaalsContact O-CB 3.23Å; R381-M385 WeakPolarHBondContact O-CB 3.43Å; R381-M385 PolarHBondContact O-N 2.96Å; S382-M385 PolarHBondContact O-N 3.26Å; T383-M385 VanDerWaalsContact C-N 3.34Å; T383-M385 PolarHBondContact O-N 3.18Å; M385-R389 VanDerWaalsContact O-CB 3.27Å; M385-R389 WeakPolarHBondContact O-CB 3.35Å; M385-R389 PolarHBondContact O-N 2.81Å
386	S	83.8	Confident	86.8	Confident	67 Å²	67	85.5 Å²	85.5	47%	0.469	47%	0.468	S	S	.	.	H	α-helix	trans	-64.7	-42.9	174.2	-177.9	0	0	0	0	112.3	S382 T383 I384 R389 S390	S382-S386 WeakPolarHBondContact O-CB 3.34Å; S382-S386 PolarHBondContact O-N 3.44Å; T383-S386 WeakPolarHBondContact O-CB 3.32Å; T383-S386 PolarHBondContact O-N 3.43Å; I384-S386 VanDerWaalsContact C-N 3.29Å; I384-S386 PolarHBondContact O-N 2.9Å; S386-R389 PolarHBondContact O-N 3.45Å; S386-S390 WeakPolarHBondContact O-CB 3.28Å; S386-S390 PolarHBondContact O-N 3.19Å; S386-S390 PolarHBondContact O-OG 2.83Å
387	V	87.1	Confident	86.8	Confident	36 Å²	36	87.3 Å²	87.3	22%	0.218	47%	0.468	C	S	.	.	H	α-helix	trans	-63.8	-47.3	176	173.5	0	0	0	0	110.6	T383 I384 R389 S390 S391 L394 F399	T383-V387 WeakPolarHBondContact O-CG2 3.24Å; T383-V387 PolarHBondContact O-N 2.85Å; I384-V387 PolarHBondContact O-N 3.44Å; I384-V387 VanDerWaalsContact O-N 3.13Å; V387-R389 VanDerWaalsContact C-N 3.31Å; V387-R389 PolarHBondContact O-N 3.49Å; V387-S390 PolarHBondContact O-N 2.81Å; V387-S391 CarbonylContact O-C 3.47Å; V387-S391 PolarHBondContact O-N 2.9Å; V387-L394 HydrophobicContact CG1-CD2 4.41Å; V387-F399 HydrophobicContact CB-CE2 4.07Å; V387-F399 HydrophobicContact CG1-CE2 4.03Å; V387-F399 HydrophobicContact CG2-CE2 4.33Å
388	F	87.2	Confident	86.7	Confident	72 Å²	72	88.8 Å²	88.8	32%	0.316	47%	0.467	S	S	.	.	H	α-helix	trans	-63.7	-35.8	177.9	-84.7	-81.5	0	0	0	112.6	I384 P392 G395 F399	I384-F388 HydrophobicContact CG2-CD2 3.62Å; I384-F388 HydrophobicContact CG2-CE2 3.67Å; I384-F388 VanDerWaalsContact O-CD2 3.26Å; I384-F388 WeakPolarHBondContact O-CD2 3.06Å; I384-F388 PolarHBondContact O-N 3.25Å; F388-P392 WeakPolarHBondContact O-CA 3.46Å; F388-P392 WeakPolarHBondContact O-CD 3.32Å; F388-P392 VanDerWaalsContact O-CG 3.31Å; F388-P392 WeakPolarHBondContact O-CG 3.28Å; F388-G395 WeakPolarHBondContact CZ-O 3.49Å; F388-F399 HydrophobicContact CD2-CD2 4.45Å; F388-F399 AromaticContact CE2-CD2 3.71Å; F388-F399 HydrophobicContact CE2-CD2 3.71Å; F388-F399 HydrophobicContact CE2-CE2 4.42Å; F388-F399 HydrophobicContact CE2-CG 4.49Å; F388-F399 HydrophobicContact CZ-CD2 4.39Å
389	R	85.8	Confident	86.6	Confident	229 Å²	229	88.5 Å²	88.5	86%	0.864	47%	0.466	S	S	*	.	H	α-helix	trans	-69.8	-34.7	175.5	-168.8	174.5	-175.3	164.8	0.3	112.4	M385 S386 V387	M385-R389 VanDerWaalsContact O-CB 3.27Å; M385-R389 WeakPolarHBondContact O-CB 3.35Å; M385-R389 PolarHBondContact O-N 2.81Å; S386-R389 PolarHBondContact O-N 3.45Å; V387-R389 VanDerWaalsContact C-N 3.31Å; V387-R389 PolarHBondContact O-N 3.49Å
390	S	88.2	Confident	86.6	Confident	97 Å²	97	86.7 Å²	86.7	68%	0.678	47%	0.465	S	S	*	.	H	α-helix	trans	-80.7	-41.5	-178.8	-57.2	0	0	0	0	112.6	S386 V387	S386-S390 WeakPolarHBondContact O-CB 3.28Å; S386-S390 PolarHBondContact O-N 3.19Å; S386-S390 PolarHBondContact O-OG 2.83Å; V387-S390 PolarHBondContact O-N 2.81Å
391	S	89.3	Confident	86.6	Confident	47 Å²	47	88.7 Å²	88.7	33%	0.329	47%	0.469	S	S	.	.			trans	-153.6	95.8	178.4	-177.6	0	0	0	0	110.5	V387 L393 L394 G395	V387-S391 CarbonylContact O-C 3.47Å; V387-S391 PolarHBondContact O-N 2.9Å; S391-L393 VanDerWaalsContact C-N 3.31Å; S391-L393 PolarHBondContact O-N 3.12Å; S391-L394 PolarHBondContact O-N 3.44Å; S391-L394 VanDerWaalsContact OG-CB 3.32Å; S391-L394 WeakPolarHBondContact OG-CB 3.13Å; S391-G395 PolarHBondContact O-N 3.31Å
392	P	88.3	Confident	86.7	Confident	80 Å²	80	83.2 Å²	83.2	52%	0.519	46%	0.456	S	S	.	.	H	α-helix	trans	-58.4	-40	-178.1	-24.2	30.7	0	0	0	113.4	F388 G395 C396	F388-P392 WeakPolarHBondContact O-CA 3.46Å; F388-P392 WeakPolarHBondContact O-CD 3.32Å; F388-P392 VanDerWaalsContact O-CG 3.31Å; F388-P392 WeakPolarHBondContact O-CG 3.28Å; P392-G395 PolarHBondContact O-N 3.31Å; P392-C396 PolarHBondContact O-N 3.39Å; P392-C396 PolarHBondContact O-SG 3Å; P392-C396 VanDerWaalsContact O-SG 3.39Å
393	L	87.8	Confident	86.9	Confident	149 Å²	149	86.3 Å²	86.3	78%	0.78	47%	0.468	S	S	*	.	H	α-helix	trans	-67.6	-42.7	-178.9	-67.1	176.4	0	0	0	112.1	S391 G395 C396 F397	S391-L393 VanDerWaalsContact C-N 3.31Å; S391-L393 PolarHBondContact O-N 3.12Å; L393-G395 VanDerWaalsContact C-N 3.34Å; L393-C396 PolarHBondContact O-N 2.87Å; L393-F397 PolarHBondContact O-N 2.99Å; L393-F397 VanDerWaalsContact O-N 3.12Å
394	L	86	Confident	87.1	Confident	94 Å²	94	84.1 Å²	84.1	49%	0.492	46%	0.462	S	S	.	.	H	α-helix	trans	-65.9	-40.4	176.3	-167.2	106.8	0	0	0	110.4	V387 S391 F397 L398	V387-L394 HydrophobicContact CG1-CD2 4.41Å; S391-L394 PolarHBondContact O-N 3.44Å; S391-L394 VanDerWaalsContact OG-CB 3.32Å; S391-L394 WeakPolarHBondContact OG-CB 3.13Å; L394-F397 PolarHBondContact O-N 3.42Å; L394-L398 HydrophobicContact CD2-CD1 3.56Å; L394-L398 HydrophobicContact CG-CD1 3.94Å; L394-L398 WeakPolarHBondContact O-CB 3.36Å; L394-L398 PolarHBondContact O-N 3.33Å
395	G	85.4	Confident	87.4	Confident	0 Å²	0	84.9 Å²	84.9	0%	0	47%	0.469	C	S	.	.	H	α-helix	trans	-58.9	-46.3	174.8	0	0	0	0	0	113	F388 S391 P392 L393 F397 L398 F399	F388-G395 WeakPolarHBondContact CZ-O 3.49Å; S391-G395 PolarHBondContact O-N 3.31Å; P392-G395 PolarHBondContact O-N 3.31Å; L393-G395 VanDerWaalsContact C-N 3.34Å; G395-F397 VanDerWaalsContact C-N 3.28Å; G395-F397 PolarHBondContact O-N 3.44Å; G395-L398 PolarHBondContact O-N 3.32Å; G395-F399 WeakPolarHBondContact O-CD2 3.41Å; G395-F399 PolarHBondContact O-N 2.84Å
396	C	85.8	Confident	87.7	Confident	75 Å²	75	83.5 Å²	83.5	51%	0.507	46%	0.463	S	S	.	.	I	π-helix	trans	-59.1	-39.1	174.2	-72	0	0	0	0	112.3	P392 L393 G400	P392-C396 PolarHBondContact O-N 3.39Å; P392-C396 PolarHBondContact O-SG 3Å; P392-C396 VanDerWaalsContact O-SG 3.39Å; L393-C396 PolarHBondContact O-N 2.87Å; C396-G400 WeakPolarHBondContact O-CA 3.14Å; C396-G400 PolarHBondContact O-N 2.87Å
397	F	88.1	Confident	88	Confident	142 Å²	142	84 Å²	84	62%	0.623	47%	0.467	S	S	*	.	I	π-helix	trans	-70.7	-49.2	178.1	-171.8	-88.1	0	0	0	111.9	L393 L394 G395 F399 L401	L393-F397 PolarHBondContact O-N 2.99Å; L393-F397 VanDerWaalsContact O-N 3.12Å; L394-F397 PolarHBondContact O-N 3.42Å; G395-F397 VanDerWaalsContact C-N 3.28Å; G395-F397 PolarHBondContact O-N 3.44Å; F397-F399 PolarHBondContact O-N 3.45Å; F397-L401 HydrophobicContact CD1-CD1 4.19Å; F397-L401 HydrophobicContact CD2-CD1 3.23Å; F397-L401 HydrophobicContact CD2-CG 4.4Å; F397-L401 HydrophobicContact CE1-CD1 4.1Å; F397-L401 HydrophobicContact CE2-CD1 3.12Å; F397-L401 HydrophobicContact CG-CD1 3.78Å; F397-L401 HydrophobicContact CZ-CD1 3.58Å; F397-L401 WeakPolarHBondContact O-CB 3.35Å; F397-L401 PolarHBondContact O-N 3.43Å
398	L	87	Confident	88.2	Confident	92 Å²	92	88.4 Å²	88.4	48%	0.482	49%	0.489	S	S	.	.	I	π-helix	trans	-64.5	-41.6	-175.8	-114.1	144.9	0	0	0	113.1	L394 G395 P402	L394-L398 HydrophobicContact CD2-CD1 3.56Å; L394-L398 HydrophobicContact CG-CD1 3.94Å; L394-L398 WeakPolarHBondContact O-CB 3.36Å; L394-L398 PolarHBondContact O-N 3.33Å; G395-L398 PolarHBondContact O-N 3.32Å; L398-P402 WeakPolarHBondContact O-CD 3.22Å; L398-P402 WeakPolarHBondContact O-CG 3.41Å
399	F	87.4	Confident	88.3	Confident	59 Å²	59	90.7 Å²	90.7	26%	0.259	50%	0.501	S	S	.	.	I	π-helix	trans	-103.6	-36.7	-176.3	-59.2	-69.5	0	0	0	112.4	I384 V387 F388 G395 F397 L403	I384-F399 HydrophobicContact CB-CE2 4.46Å; I384-F399 HydrophobicContact CB-CZ 4.49Å; I384-F399 HydrophobicContact CG1-CD1 4.22Å; I384-F399 HydrophobicContact CG1-CD2 4.5Å; I384-F399 HydrophobicContact CG1-CE1 3.8Å; I384-F399 HydrophobicContact CG1-CE2 4.1Å; I384-F399 HydrophobicContact CG1-CZ 3.74Å; I384-F399 HydrophobicContact CG2-CD2 4.45Å; I384-F399 HydrophobicContact CG2-CE2 4.45Å; V387-F399 HydrophobicContact CB-CE2 4.07Å; V387-F399 HydrophobicContact CG1-CE2 4.03Å; V387-F399 HydrophobicContact CG2-CE2 4.33Å; F388-F399 HydrophobicContact CD2-CD2 4.45Å; F388-F399 AromaticContact CE2-CD2 3.71Å; F388-F399 HydrophobicContact CE2-CD2 3.71Å; F388-F399 HydrophobicContact CE2-CE2 4.42Å; F388-F399 HydrophobicContact CE2-CG 4.49Å; F388-F399 HydrophobicContact CZ-CD2 4.39Å; G395-F399 WeakPolarHBondContact O-CD2 3.41Å; G395-F399 PolarHBondContact O-N 2.84Å; F397-F399 PolarHBondContact O-N 3.45Å; F399-L403 VanDerWaalsContact O-CB 3.3Å; F399-L403 WeakPolarHBondContact O-CB 3.4Å; F399-L403 VanDerWaalsContact O-CD1 3.31Å; F399-L403 WeakPolarHBondContact O-CD1 3.4Å; F399-L403 WeakPolarHBondContact O-CG 3.3Å; F399-L403 PolarHBondContact O-N 2.99Å
400	G	85.8	Confident	88.4	Confident	37 Å²	37	82.9 Å²	82.9	38%	0.381	48%	0.482	S	S	.	.	I	π-helix	trans	-74.6	-36.8	-175	0	0	0	0	0	114.2	C396 G404	C396-G400 WeakPolarHBondContact O-CA 3.14Å; C396-G400 PolarHBondContact O-N 2.87Å; G400-G404 PolarHBondContact O-N 2.91Å
401	L	87.9	Confident	88.5	Confident	89 Å²	89	85.8 Å²	85.8	47%	0.466	48%	0.479	S	S	.	.	H	α-helix	trans	-66.5	-50.9	177.3	-83	168.7	0	0	0	112.5	F397 L403 G404 V405	F397-L401 HydrophobicContact CD1-CD1 4.19Å; F397-L401 HydrophobicContact CD2-CD1 3.23Å; F397-L401 HydrophobicContact CD2-CG 4.4Å; F397-L401 HydrophobicContact CE1-CD1 4.1Å; F397-L401 HydrophobicContact CE2-CD1 3.12Å; F397-L401 HydrophobicContact CG-CD1 3.78Å; F397-L401 HydrophobicContact CZ-CD1 3.58Å; F397-L401 WeakPolarHBondContact O-CB 3.35Å; F397-L401 PolarHBondContact O-N 3.43Å; L401-L403 VanDerWaalsContact C-N 3.32Å; L401-L403 PolarHBondContact O-N 2.97Å; L401-G404 PolarHBondContact O-N 2.86Å; L401-V405 WeakPolarHBondContact O-CG2 3.38Å; L401-V405 PolarHBondContact O-N 3.32Å
402	P	90.1	Very high	88.3	Confident	65 Å²	65	85.2 Å²	85.2	42%	0.422	48%	0.481	S	S	.	.	H	α-helix	trans	-59.3	-43.1	176.1	-25.3	35.6	0	0	0	112.4	L398 G404 V405 I406	L398-P402 WeakPolarHBondContact O-CD 3.22Å; L398-P402 WeakPolarHBondContact O-CG 3.41Å; P402-G404 VanDerWaalsContact C-N 3.33Å; P402-G404 PolarHBondContact O-N 3.43Å; P402-V405 PolarHBondContact O-N 3.03Å; P402-I406 WeakPolarHBondContact O-CB 3.5Å; P402-I406 VanDerWaalsContact O-CG1 3.25Å; P402-I406 WeakPolarHBondContact O-CG1 3.43Å; P402-I406 PolarHBondContact O-N 3.38Å
403	L	89.5	Confident	88.3	Confident	115 Å²	115	87.5 Å²	87.5	60%	0.602	49%	0.487	S	S	*	.	H	α-helix	trans	-63.7	-38	176.9	-73	172.5	0	0	0	112.3	F399 L401 S407	F399-L403 VanDerWaalsContact O-CB 3.3Å; F399-L403 WeakPolarHBondContact O-CB 3.4Å; F399-L403 VanDerWaalsContact O-CD1 3.31Å; F399-L403 WeakPolarHBondContact O-CD1 3.4Å; F399-L403 WeakPolarHBondContact O-CG 3.3Å; F399-L403 PolarHBondContact O-N 2.99Å; L401-L403 VanDerWaalsContact C-N 3.32Å; L401-L403 PolarHBondContact O-N 2.97Å; L403-S407 VanDerWaalsContact O-CB 3.25Å; L403-S407 WeakPolarHBondContact O-CB 3.39Å; L403-S407 PolarHBondContact O-N 3.49Å
404	G	89.2	Confident	87.9	Confident	34 Å²	34	85.7 Å²	85.7	35%	0.351	49%	0.485	S	S	.	.	H	α-helix	trans	-64.9	-42.9	175.4	0	0	0	0	0	112.6	G400 L401 P402 S407 L408	G400-G404 PolarHBondContact O-N 2.91Å; L401-G404 PolarHBondContact O-N 2.86Å; P402-G404 VanDerWaalsContact C-N 3.33Å; P402-G404 PolarHBondContact O-N 3.43Å; G404-S407 PolarHBondContact O-N 2.92Å; G404-L408 PolarHBondContact O-N 3.23Å
405	V	91.8	Very high	87.7	Confident	82 Å²	82	85 Å²	85	50%	0.497	49%	0.486	S	S	.	.	H	α-helix	trans	-63.8	-48.1	175.7	173.3	0	0	0	0	110.7	L401 P402 S407 L408 M409	L401-V405 WeakPolarHBondContact O-CG2 3.38Å; L401-V405 PolarHBondContact O-N 3.32Å; P402-V405 PolarHBondContact O-N 3.03Å; V405-S407 VanDerWaalsContact C-N 3.32Å; V405-S407 PolarHBondContact O-N 2.96Å; V405-L408 WeakPolarHBondContact O-CB 3.31Å; V405-L408 PolarHBondContact O-N 3.5Å; V405-L408 VanDerWaalsContact O-N 3.16Å; V405-M409 HydrophobicContact CG1-SD 4.26Å; V405-M409 WeakPolarHBondContact O-CG 3.47Å; V405-M409 PolarHBondContact O-N 3.01Å
406	I	90.7	Very high	86.8	Confident	93 Å²	93	88.6 Å²	88.6	48%	0.477	52%	0.515	S	S	.	.	H	α-helix	trans	-60.2	-43.7	177.2	-67.4	165	0	0	0	110.5	P402 L408 M409 C410	P402-I406 WeakPolarHBondContact O-CB 3.5Å; P402-I406 VanDerWaalsContact O-CG1 3.25Å; P402-I406 WeakPolarHBondContact O-CG1 3.43Å; P402-I406 PolarHBondContact O-N 3.38Å; I406-L408 VanDerWaalsContact C-N 3.31Å; I406-L408 PolarHBondContact O-N 2.85Å; I406-M409 PolarHBondContact O-N 2.93Å; I406-C410 WeakPolarHBondContact O-CB 3.33Å; I406-C410 PolarHBondContact O-N 3.44Å; I406-C410 PolarHBondContact O-SG 3Å
407	S	89.5	Confident	85.2	Confident	78 Å²	78	93.5 Å²	93.5	55%	0.545	53%	0.53	S	S	.	.	H	α-helix	trans	-60.4	-39.4	176.7	-175.1	0	0	0	0	112.5	L403 G404 V405 Y411	L403-S407 VanDerWaalsContact O-CB 3.25Å; L403-S407 WeakPolarHBondContact O-CB 3.39Å; L403-S407 PolarHBondContact O-N 3.49Å; G404-S407 PolarHBondContact O-N 2.92Å; V405-S407 VanDerWaalsContact C-N 3.32Å; V405-S407 PolarHBondContact O-N 2.96Å; S407-Y411 VanDerWaalsContact O-CB 3.29Å; S407-Y411 WeakPolarHBondContact O-CB 3.42Å; S407-Y411 PolarHBondContact O-N 3.43Å
408	L	91.1	Very high	83.5	Confident	128 Å²	128	91.3 Å²	91.3	67%	0.67	53%	0.532	S	S	*	.	H	α-helix	trans	-67.2	-41.3	175.7	-101.5	149.1	0	0	0	111.8	G404 V405 I406 Y411 G412	G404-L408 PolarHBondContact O-N 3.23Å; V405-L408 WeakPolarHBondContact O-CB 3.31Å; V405-L408 PolarHBondContact O-N 3.5Å; V405-L408 VanDerWaalsContact O-N 3.16Å; I406-L408 VanDerWaalsContact C-N 3.31Å; I406-L408 PolarHBondContact O-N 2.85Å; L408-Y411 PolarHBondContact O-N 3.31Å; L408-G412 PolarHBondContact O-N 3.43Å
409	M	89.2	Confident	81.5	Confident	119 Å²	119	94.9 Å²	94.9	59%	0.586	55%	0.552	S	S	*	*	H	α-helix	trans	-63.6	-48	175.1	-69.1	-178.8	74.4	0	0	111.5	V405 I406 Y411 G412 I413	V405-M409 HydrophobicContact CG1-SD 4.26Å; V405-M409 WeakPolarHBondContact O-CG 3.47Å; V405-M409 PolarHBondContact O-N 3.01Å; I406-M409 PolarHBondContact O-N 2.93Å; M409-Y411 VanDerWaalsContact C-N 3.32Å; M409-Y411 PolarHBondContact O-N 2.86Å; M409-G412 PolarHBondContact O-N 3.35Å; M409-I413 VanDerWaalsContact O-CG1 3.29Å; M409-I413 WeakPolarHBondContact O-CG1 3.36Å; M409-I413 PolarHBondContact O-N 2.92Å
410	C	87.6	Confident	79.6	Confident	66 Å²	66	99.5 Å²	99.5	45%	0.446	58%	0.579	S	S	.	*	H	α-helix	trans	-61.4	-41.4	176.3	-67.9	0	0	0	0	111.6	I406 I413 C414	I406-C410 WeakPolarHBondContact O-CB 3.33Å; I406-C410 PolarHBondContact O-N 3.44Å; I406-C410 PolarHBondContact O-SG 3Å; C410-I413 PolarHBondContact O-N 2.98Å; C410-C414 WeakPolarHBondContact O-CB 3.31Å; C410-C414 PolarHBondContact O-N 3.37Å; C410-C414 PolarHBondContact O-SG 3.47Å
411	Y	90.1	Very high	77.2	Confident	157 Å²	157	100.8 Å²	100.8	62%	0.616	59%	0.593	S	S	*	*	H	α-helix	trans	-60.4	-49.1	174.6	-179.9	-96.1	0	0	0	111.2	S407 L408 M409 I413 C414 T415	S407-Y411 VanDerWaalsContact O-CB 3.29Å; S407-Y411 WeakPolarHBondContact O-CB 3.42Å; S407-Y411 PolarHBondContact O-N 3.43Å; L408-Y411 PolarHBondContact O-N 3.31Å; M409-Y411 VanDerWaalsContact C-N 3.32Å; M409-Y411 PolarHBondContact O-N 2.86Å; Y411-I413 VanDerWaalsContact C-N 3.32Å; Y411-I413 PolarHBondContact O-N 3.08Å; Y411-C414 PolarHBondContact O-N 2.96Å; Y411-T415 HydrophobicContact CD1-CG2 4.24Å; Y411-T415 HydrophobicContact CD2-CG2 4.05Å; Y411-T415 HydrophobicContact CE1-CG2 3.88Å; Y411-T415 HydrophobicContact CE2-CG2 3.67Å; Y411-T415 HydrophobicContact CG-CG2 4.32Å; Y411-T415 WeakPolarHBondContact O-CB 3.46Å; Y411-T415 WeakPolarHBondContact O-CG2 3.38Å; Y411-T415 PolarHBondContact O-N 3.05Å; Y411-T415 PolarHBondContact O-OG1 3.34Å
412	G	86.6	Confident	74.7	Confident	36 Å²	36	104.1 Å²	104.1	37%	0.371	61%	0.611	S	S	.	*	H	α-helix	trans	-58.3	-40.8	178	0	0	0	0	0	113.4	L408 M409 A416	L408-G412 PolarHBondContact O-N 3.43Å; M409-G412 PolarHBondContact O-N 3.35Å; G412-A416 WeakPolarHBondContact O-CB 3.46Å; G412-A416 PolarHBondContact O-N 3.49Å
413	I	87.9	Confident	72.3	Confident	128 Å²	128	107.9 Å²	107.9	66%	0.656	63%	0.627	S	S	*	*	H	α-helix	trans	-68.5	-42.1	176	-65.1	165.3	0	0	0	111.1	M409 C410 Y411	M409-I413 VanDerWaalsContact O-CG1 3.29Å; M409-I413 WeakPolarHBondContact O-CG1 3.36Å; M409-I413 PolarHBondContact O-N 2.92Å; C410-I413 PolarHBondContact O-N 2.98Å; Y411-I413 VanDerWaalsContact C-N 3.32Å; Y411-I413 PolarHBondContact O-N 3.08Å
414	C	80.2	Confident	69.7	Low	110 Å²	110	109.5 Å²	109.5	74%	0.743	63%	0.631	S	S	*	*	H	α-helix	trans	-75.8	-20.7	-179.8	-67.3	0	0	0	0	114	C410 Y411	C410-C414 WeakPolarHBondContact O-CB 3.31Å; C410-C414 PolarHBondContact O-N 3.37Å; C410-C414 PolarHBondContact O-SG 3.47Å; Y411-C414 PolarHBondContact O-N 2.96Å
415	T	81	Confident	66.9	Low	81 Å²	81	115.9 Å²	115.9	50%	0.497	65%	0.65	S	S	.	*	T	Hydrogen-bonded Turn	trans	-97.3	-2.3	175.8	58.4	0	0	0	0	113.8	Y411 E417	Y411-T415 HydrophobicContact CD1-CG2 4.24Å; Y411-T415 HydrophobicContact CD2-CG2 4.05Å; Y411-T415 HydrophobicContact CE1-CG2 3.88Å; Y411-T415 HydrophobicContact CE2-CG2 3.67Å; Y411-T415 HydrophobicContact CG-CG2 4.32Å; Y411-T415 WeakPolarHBondContact O-CB 3.46Å; Y411-T415 WeakPolarHBondContact O-CG2 3.38Å; Y411-T415 PolarHBondContact O-N 3.05Å; Y411-T415 PolarHBondContact O-OG1 3.34Å; T415-E417 PolarHBondContact O-N 3.19Å
416	A	65.4	Low	63.9	Low	74 Å²	74	123.5 Å²	123.5	61%	0.612	67%	0.669	S	S	*	*			trans	-88.2	87.3	173	0	0	0	0	0	109.5	G412	G412-A416 WeakPolarHBondContact O-CB 3.46Å; G412-A416 PolarHBondContact O-N 3.49Å
417	E	53.6	Low	61.4	Low	179 Å²	179	128.4 Å²	128.4	84%	0.836	69%	0.69	S	S	*	*			trans	-123.3	114.9	157.2	-105	-176.8	172.3	0	0	110.1	T415	T415-E417 PolarHBondContact O-N 3.19Å
418	S	52.8	Low	58.4	Low	95 Å²	95	127.6 Å²	127.6	66%	0.664	69%	0.694	S	S	*	*			trans	27.4	98	141.8	51.5	0	0	0	0	118.4	D420	S418-D420 PolarHBondContact O-N 3.27Å
419	D	45	Very low	55.5	Low	168 Å²	168	129 Å²	129	90%	0.898	70%	0.702	S	S	*	*			trans	-87.4	86.6	162.4	-156.5	26.8	0	0	0	109.1
420	D	45.5	Very low	52.8	Low	155 Å²	155	128.2 Å²	128.2	83%	0.829	70%	0.704	S	S	*	*			trans	-74	113.5	162.1	-79.8	-37.2	0	0	0	109.1	S418	S418-D420 PolarHBondContact O-N 3.27Å
421	G	35.8	Very low	50.5	Low	65 Å²	65	132.7 Å²	132.7	67%	0.67	72%	0.723	S	S	*	*			trans	152	104.1	152.3	0	0	0	0	0	120.3
422	L	37.1	Very low	48.1	Very low	159 Å²	159	133.9 Å²	133.9	83%	0.832	73%	0.734	S	S	*	*			trans	96.3	93.7	133.5	-59	167	0	0	0	121.2
423	D	37.8	Very low	45.5	Very low	143 Å²	143	141.4 Å²	141.4	77%	0.765	76%	0.76	S	S	*	*				51.8	115.5	117.2	-65.5	-30.3	0	0	0	122.5
424	E	35.8	Very low	42.8	Very low	149 Å²	149	144.2 Å²	144.2	70%	0.696	77%	0.77	S	S	*	*				175.6	131.7	96.1	-99.1	-153.7	153.7	0	0	114.6
425	K	31.3	Very low	40.8	Very low	169 Å²	169	146.9 Å²	146.9	74%	0.735	77%	0.772	S	S	*	*			trans	70.3	120.5	148.3	-68.1	174.4	-178.9	131.3	0	118.3
426	R	28.3	Very low	38.7	Very low	241 Å²	241	151.3 Å²	151.3	91%	0.909	79%	0.786	S	S	*	*				-177.8	139.3	68.3	-164.2	171.9	-170.1	-178.5	0.8	109.7
427	E	38.3	Very low	37	Very low	197 Å²	197	155.3 Å²	155.3	92%	0.921	80%	0.798	S	S	*	*			trans	-47.4	143.1	177.5	-59.9	171.7	150.3	0	0	115.2
428	G	27	Very low	36.1	Very low	60 Å²	60	153.3 Å²	153.3	62%	0.619	79%	0.793	S	S	*	*			trans	169.6	100.8	160.4	0	0	0	0	0	113.5
429	L	29.2	Very low	35.4	Very low	159 Å²	159	155.1 Å²	155.1	83%	0.832	79%	0.791	S	S	*	*			trans	63.6	97	139.4	-65.3	130	0	0	0	116.3
430	T	32.7	Very low	35	Very low	102 Å²	102	155.3 Å²	155.3	63%	0.626	79%	0.786	S	S	*	*				67.9	103.6	107.3	55.2	0	0	0	0	113.8	E432	T430-E432 PolarHBondContact O-N 3.5Å
431	D	38.3	Very low	34.6	Very low	160 Å²	160	155.4 Å²	155.4	86%	0.856	78%	0.782	S	S	*	*				42.4	67.8	123.6	-48.2	-19.6	0	0	0	116.8
432	E	40.3	Very low	34.7	Very low	182 Å²	182	159.2 Å²	159.2	85%	0.85	78%	0.782	S	S	*	*			trans	-144.4	134.6	154.4	-65.7	-168.5	179.9	0	0	107	T430	T430-E432 PolarHBondContact O-N 3.5Å
433	E	32.3	Very low	34.8	Very low	194 Å²	194	159 Å²	159	91%	0.907	78%	0.777	S	S	*	*	S	Bend	trans	101.1	13.6	179.4	-50.6	-178.4	-172.6	0	0	117.5
434	E	31.5	Very low	34.8	Very low	187 Å²	187	160.5 Å²	160.5	87%	0.874	78%	0.779	S	S	*	*	S	Bend	trans	-97.7	21.5	152.7	-81.9	-170.3	175.4	0	0	112.2
435	E	37.2	Very low	34.9	Very low	166 Å²	166	163.4 Å²	163.4	78%	0.776	78%	0.784	S	S	*	*			trans	-119.7	87	170.7	-69.8	-169.6	-177.8	0	0	108.1
436	E	37.2	Very low	35.2	Very low	173 Å²	173	163 Å²	163	81%	0.808	78%	0.784	S	S	*	*	S	Bend	trans	-166.7	-10.3	151.7	-110.8	173.9	-154.7	0	0	115.4
437	D	29.9	Very low	35.6	Very low	159 Å²	159	155.8 Å²	155.8	85%	0.85	78%	0.777	S	S	*	*	S	Bend	trans	-118.1	-2.9	177.7	-84.3	-29.1	0	0	0	115.4	E439	D437-E439 VanDerWaalsContact C-N 3.27Å
438	D	34.3	Very low	35.7	Very low	136 Å²	136	150.5 Å²	150.5	73%	0.727	77%	0.766	S	S	*	*	S	Bend	trans	-81.9	-1.3	167.2	-85.9	-22.2	0	0	0	112.8
439	E	39.5	Very low	36.4	Very low	133 Å²	133	156.5 Å²	156.5	62%	0.621	78%	0.779	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.3	-11.3	-176.2	-69.6	-159.4	157.1	0	0	115.6	D437	D437-E439 VanDerWaalsContact C-N 3.27Å
440	E	35.6	Very low	36.7	Very low	173 Å²	173	156.9 Å²	156.9	81%	0.808	78%	0.781	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.2	-20.9	175.9	-75.9	-161.5	165	0	0	114.4
441	E	37.3	Very low	36.8	Very low	156 Å²	156	161.4 Å²	161.4	73%	0.729	79%	0.794	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.2	-19.3	175.7	-83.3	-156.6	160.6	0	0	114
442	E	37.1	Very low	36.5	Very low	146 Å²	146	157.4 Å²	157.4	68%	0.682	79%	0.791	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82	-17.1	176.3	-126.8	179.3	-173.9	0	0	113.5
443	Q	40.4	Very low	37.1	Very low	153 Å²	153	154.6 Å²	154.6	72%	0.715	79%	0.788	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83.5	-18.9	179.1	-69.9	-171.3	17.7	0	0	114.7
444	Q	37.2	Very low	37	Very low	176 Å²	176	154.2 Å²	154.2	82%	0.822	79%	0.787	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.6	-13.4	176.7	-84.4	-178.1	7.5	0	0	114.7
445	R	38.2	Very low	37	Very low	210 Å²	210	154.2 Å²	154.2	79%	0.792	79%	0.787	S	S	*	*	G	3₁₀ helix	trans	-82	-13.9	171.8	-69.5	-171.5	-179.2	-152.2	4.2	113.5
446	Q	38.5	Very low	36.6	Very low	159 Å²	159	156 Å²	156	74%	0.743	80%	0.795	S	S	*	*	G	3₁₀ helix	trans	-91.7	2.1	179.7	-78.9	-172.9	4.4	0	0	116.2
447	A	35.5	Very low	36.4	Very low	91 Å²	91	156.8 Å²	156.8	75%	0.752	80%	0.799	S	S	*	*	G	3₁₀ helix	trans	-99	2.9	173.7	0	0	0	0	0	114.4
448	A	40	Very low	36.5	Very low	85 Å²	85	156.6 Å²	156.6	70%	0.702	80%	0.798	S	S	*	*	S	Bend	trans	-107.9	-1.4	-175.5	0	0	0	0	0	115.6
449	E	41.3	Very low	36.4	Very low	187 Å²	187	154.1 Å²	154.1	87%	0.874	80%	0.796	S	S	*	*			trans	-138.6	70	171.3	-78.8	-170.9	148.1	0	0	112.9
450	L	36.9	Very low	35.9	Very low	167 Å²	167	151.2 Å²	151.2	87%	0.874	80%	0.802	S	S	*	*			trans	-129	96.4	140.8	-83.1	156.4	0	0	0	102.5
451	E	33.8	Very low	36	Very low	196 Å²	196	150.6 Å²	150.6	92%	0.916	80%	0.799	S	S	*	*	S	Bend		-153.6	116.6	83.5	-79.8	176	162.8	0	0	111.8
452	G	33	Very low	35.6	Very low	76 Å²	76	151 Å²	151	78%	0.784	80%	0.799	S	S	*	*			trans	52.1	124.7	130.8	0	0	0	0	0	122.3
453	P	52.1	Low	35.7	Very low	123 Å²	123	151.3 Å²	151.3	80%	0.799	81%	0.805	S	S	*	*			trans	-102.4	137.7	172.6	36.3	-25.4	0	0	0	112.2
454	E	30.3	Very low	36.3	Very low	187 Å²	187	148.8 Å²	148.8	87%	0.874	80%	0.802	S	S	*	*			trans	-143.3	115.1	155.2	-71.6	-166.1	168.6	0	0	113.3
455	E	31.7	Very low	36.2	Very low	187 Å²	187	148.2 Å²	148.2	87%	0.874	80%	0.799	S	S	*	*			trans	57.7	108.2	138.8	-56.7	-173.9	169.3	0	0	121.8
456	E	29.2	Very low	36	Very low	202 Å²	202	144.7 Å²	144.7	94%	0.944	79%	0.792	S	S	*	*			trans	-111.2	116.5	147.4	-80.5	-169.4	165.5	0	0	109.6
457	E	32.6	Very low	35.7	Very low	191 Å²	191	143.8 Å²	143.8	89%	0.893	79%	0.785	S	S	*	*			trans	-110.8	123.6	155.7	-91.7	-163.3	166.6	0	0	110.3
458	D	32.2	Very low	35.8	Very low	154 Å²	154	147.5 Å²	147.5	82%	0.824	79%	0.785	S	S	*	*			trans	67.5	139	135.5	-151.6	22.8	0	0	0	122.8
459	A	32.2	Very low	35.7	Very low	84 Å²	84	149.1 Å²	149.1	69%	0.694	79%	0.786	S	S	*	*			trans	71.3	119.2	149.6	0	0	0	0	0	121.2
460	G	29.3	Very low	35.7	Very low	73 Å²	73	151.3 Å²	151.3	75%	0.753	80%	0.803	S	S	*	*				120.4	108.8	117	0	0	0	0	0	117.6
461	E	36.3	Very low	35.7	Very low	160 Å²	160	150.5 Å²	150.5	75%	0.748	80%	0.8	S	S	*	*			trans	15.8	136	137.1	-107.3	-167.8	149.4	0	0	121.1
462	K	30.9	Very low	35.8	Very low	165 Å²	165	148.1 Å²	148.1	72%	0.717	79%	0.794	S	S	*	*			trans	96.1	114.9	139.6	-74	172.7	-179.7	134	0	120.1
463	D	37.5	Very low	35.9	Very low	151 Å²	151	152.1 Å²	152.1	81%	0.807	79%	0.794	S	S	*	*			trans	-47.2	153.2	139.5	-125.3	-10.5	0	0	0	110.4
464	P	53	Low	35	Very low	101 Å²	101	153.8 Å²	153.8	66%	0.656	79%	0.794	S	S	*	*			cis	-154.1	-174.7	42.9	39.6	-15.9	0	0	0	117.4
465	E	34.7	Very low	35.3	Very low	163 Å²	163	151.8 Å²	151.8	76%	0.762	79%	0.789	S	S	*	*			trans	76.3	132.1	141.3	-90.3	-176.5	160.2	0	0	123.4
466	E	34.8	Very low	35.5	Very low	136 Å²	136	149.4 Å²	149.4	64%	0.636	78%	0.783	S	S	*	*			trans	72.4	128.2	135.8	-76.8	-154.9	140.2	0	0	123.5
467	K	33.3	Very low	36	Very low	141 Å²	141	145.6 Å²	145.6	61%	0.613	77%	0.772	S	S	*	*			trans	85	117	130.7	-85.9	-176.5	-176.9	117.3	0	121.3
468	K	36.6	Very low	36.2	Very low	169 Å²	169	142.2 Å²	142.2	74%	0.735	76%	0.763	S	S	*	*				84.3	145.5	120.3	-88.5	-175	174	-173.9	0	120.6
469	T	38.1	Very low	36.5	Very low	119 Å²	119	141.2 Å²	141.2	73%	0.73	76%	0.758	S	S	*	*			trans	72.8	128.6	151.8	41.3	0	0	0	0	115.2
470	D	41.9	Very low	36.9	Very low	232 Å²	232	146.4 Å²	146.4	100%	1.241	76%	0.763	S	S	*	*			cis	-139.2	0	19.2	-86.1	-43.4	0	0	0	112.4

Retrieved 470 of 470 residues in 90.9 ms (Link to these results)

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