A0A077Z426_TRITR Loading...

Serine/threonine-protein kinase 1

AlphaFold DB , UniProt , Accession A0A077Z426, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 188 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	41.6	Very low	46.8	Very low	226 Å²	226	106.6 Å²	106.6	100%	1.113	53%	0.53	S	S	*	.				0	-24.4	0	-118.1	160.6	72.1	0	0	115.8
2	K	39.6	Very low	47	Very low	197 Å²	197	99.8 Å²	99.8	86%	0.857	50%	0.497	S	S	*	.	H	α-helix	trans	-77.5	-24.5	-175.9	-71.9	-174.9	176.5	-178.7	0	116.3
3	L	40.2	Very low	47.2	Very low	147 Å²	147	99.8 Å²	99.8	77%	0.77	51%	0.512	S	S	*	.	H	α-helix	trans	-76	-39.1	-177.1	-82.8	140.9	0	0	0	113.7	C5 S6	L3-C5 PolarHBondContact O-N 2.76Å; L3-S6 PolarHBondContact O-N 2.93Å; L3-S6 PolarHBondContact O-OG 2.73Å
4	C	45.2	Very low	47.8	Very low	48 Å²	48	95.6 Å²	95.6	32%	0.324	50%	0.499	S	S	.	.	H	α-helix	trans	-65.1	-36.4	179.4	-178.7	0	0	0	0	112.3	S6 L7 I8	C4-S6 VanDerWaalsContact C-N 3.26Å; C4-S6 PolarHBondContact O-N 2.89Å; C4-L7 PolarHBondContact O-N 3.2Å; C4-I8 WeakPolarHBondContact O-CG1 3.18Å; C4-I8 PolarHBondContact O-N 3.42Å; C4-I8 VanDerWaalsContact O-N 3.09Å
5	C	42.7	Very low	48.7	Very low	65 Å²	65	91.5 Å²	91.5	44%	0.439	48%	0.482	S	S	.	.	H	α-helix	trans	-59.2	-36.6	175.9	-129.9	0	0	0	0	112.2	L3 I8 E9	L3-C5 PolarHBondContact O-N 2.76Å; C5-I8 PolarHBondContact O-N 2.68Å; C5-E9 WeakPolarHBondContact O-CB 3.33Å; C5-E9 VanDerWaalsContact O-CG 3.31Å; C5-E9 WeakPolarHBondContact O-CG 3.41Å; C5-E9 PolarHBondContact O-N 3.43Å
6	S	50.1	Low	50	Low	44 Å²	44	95.1 Å²	95.1	31%	0.308	50%	0.495	S	S	.	.	H	α-helix	trans	-70	-33.3	-180	75.1	0	0	0	0	113.6	L3 C4 R10	L3-S6 PolarHBondContact O-N 2.93Å; L3-S6 PolarHBondContact O-OG 2.73Å; C4-S6 VanDerWaalsContact C-N 3.26Å; C4-S6 PolarHBondContact O-N 2.89Å; S6-R10 WeakPolarHBondContact O-CB 3.49Å; S6-R10 WeakPolarHBondContact O-CG 3.31Å; S6-R10 PolarHBondContact O-N 3.49Å
7	L	51.3	Low	51.9	Low	103 Å²	103	94 Å²	94	54%	0.539	49%	0.494	S	S	.	.	H	α-helix	trans	-72.1	-38.1	174.2	-76.6	168.3	0	0	0	110.6	C4 A11	C4-L7 PolarHBondContact O-N 3.2Å; L7-A11 WeakPolarHBondContact O-CA 3.39Å; L7-A11 WeakPolarHBondContact O-CB 3.22Å; L7-A11 PolarHBondContact O-N 3.11Å
8	I	51.4	Low	53.7	Low	31 Å²	31	88.9 Å²	88.9	16%	0.159	47%	0.468	C	S	.	.	H	α-helix	trans	-63.6	-50.3	172.7	-70.4	170.8	0	0	0	110.2	C4 C5 R10 A11 I12 Y37	C4-I8 WeakPolarHBondContact O-CG1 3.18Å; C4-I8 PolarHBondContact O-N 3.42Å; C4-I8 VanDerWaalsContact O-N 3.09Å; C5-I8 PolarHBondContact O-N 2.68Å; I8-R10 PolarHBondContact O-N 3.36Å; I8-A11 CarbonylContact O-C 3.55Å; I8-A11 WeakPolarHBondContact O-CA 3.38Å; I8-A11 WeakPolarHBondContact O-CB 3.31Å; I8-A11 PolarHBondContact O-N 3.31Å; I8-A11 VanDerWaalsContact O-N 3.09Å; I8-I12 HydrophobicContact CB-CD1 4.5Å; I8-I12 HydrophobicContact CG2-CD1 3.26Å; I8-I12 HydrophobicContact CG2-CG1 4.15Å; I8-I12 WeakPolarHBondContact O-CB 2.95Å; I8-I12 VanDerWaalsContact O-CD1 3.31Å; I8-I12 WeakPolarHBondContact O-CD1 3.43Å; I8-I12 WeakPolarHBondContact O-CG1 3.35Å; I8-I12 PolarHBondContact O-N 3.3Å; I8-Y37 HydrophobicContact CD1-CD1 4.14Å; I8-Y37 HydrophobicContact CD1-CE1 3.71Å; I8-Y37 HydrophobicContact CG1-CD1 4.03Å; I8-Y37 HydrophobicContact CG1-CE1 3.32Å
9	E	50.5	Low	55	Low	123 Å²	123	92.7 Å²	92.7	58%	0.575	48%	0.475	S	S	*	.	H	α-helix	trans	-63.7	-41.4	179.7	-75	176	173.5	0	0	112.7	C5 I12 S13	C5-E9 WeakPolarHBondContact O-CB 3.33Å; C5-E9 VanDerWaalsContact O-CG 3.31Å; C5-E9 WeakPolarHBondContact O-CG 3.41Å; C5-E9 PolarHBondContact O-N 3.43Å; E9-I12 PolarHBondContact O-N 2.71Å; E9-S13 PolarHBondContact O-N 2.85Å
10	R	51.9	Low	56.7	Low	181 Å²	181	95.3 Å²	95.3	68%	0.683	48%	0.482	S	S	*	.	H	α-helix	trans	-66.2	-39.7	171.1	-72.5	174.9	179.4	-168.8	0	111	S6 I8 I12 S13 R94	S6-R10 WeakPolarHBondContact O-CB 3.49Å; S6-R10 WeakPolarHBondContact O-CG 3.31Å; S6-R10 PolarHBondContact O-N 3.49Å; I8-R10 PolarHBondContact O-N 3.36Å; R10-I12 PolarHBondContact O-N 2.75Å; R10-S13 PolarHBondContact O-N 2.83Å; R10-R94 PolarHBondContact O-NH2 3.37Å
11	A	50.8	Low	58.5	Low	8 Å²	8	94 Å²	94	7%	0.066	48%	0.476	C	S	.	.	H	α-helix	trans	-61	-34.3	176.4	0	0	0	0	0	112.4	L7 I8 R94	L7-A11 WeakPolarHBondContact O-CA 3.39Å; L7-A11 WeakPolarHBondContact O-CB 3.22Å; L7-A11 PolarHBondContact O-N 3.11Å; I8-A11 CarbonylContact O-C 3.55Å; I8-A11 WeakPolarHBondContact O-CA 3.38Å; I8-A11 WeakPolarHBondContact O-CB 3.31Å; I8-A11 PolarHBondContact O-N 3.31Å; I8-A11 VanDerWaalsContact O-N 3.09Å; A11-R94 PolarHBondContact O-NE 2.92Å; A11-R94 VanDerWaalsContact O-NE 3.15Å; A11-R94 PolarHBondContact O-NH1 2.82Å
12	I	48.9	Very low	61.1	Low	25 Å²	25	83.7 Å²	83.7	13%	0.128	42%	0.424	C	S	.	.	H	α-helix	trans	-85.8	-23	-176.2	-73	170.7	0	0	0	112.5	I8 E9 R10 A14 R19 I24	I8-I12 HydrophobicContact CB-CD1 4.5Å; I8-I12 HydrophobicContact CG2-CD1 3.26Å; I8-I12 HydrophobicContact CG2-CG1 4.15Å; I8-I12 WeakPolarHBondContact O-CB 2.95Å; I8-I12 VanDerWaalsContact O-CD1 3.31Å; I8-I12 WeakPolarHBondContact O-CD1 3.43Å; I8-I12 WeakPolarHBondContact O-CG1 3.35Å; I8-I12 PolarHBondContact O-N 3.3Å; E9-I12 PolarHBondContact O-N 2.71Å; R10-I12 PolarHBondContact O-N 2.75Å; I12-A14 PolarHBondContact O-N 3.15Å; I12-R19 HydrophobicContact CG2-CG 3.91Å; I12-I24 HydrophobicContact CD1-CD1 4.33Å; I12-I24 HydrophobicContact CG1-CD1 3.72Å
13	S	50	Low	63.8	Low	100 Å²	100	81.4 Å²	81.4	70%	0.699	41%	0.414	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.1	-14.4	-177.3	-178.4	0	0	0	0	114.3	E9 R10	E9-S13 PolarHBondContact O-N 2.85Å; R10-S13 PolarHBondContact O-N 2.83Å
14	A	54.4	Low	66.3	Low	40 Å²	40	76.3 Å²	76.3	33%	0.331	39%	0.387	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.3	0.6	-161.7	0	0	0	0	0	116.8	I12 R94	I12-A14 PolarHBondContact O-N 3.15Å; A14-R94 HydrophobicContact CB-CB 3.65Å; A14-R94 HydrophobicContact CB-CG 3.26Å
15	S	61.3	Low	68.6	Low	35 Å²	35	75.5 Å²	75.5	25%	0.245	39%	0.387	C	S	.	.			trans	-167.1	123.3	161.8	-166.1	0	0	0	0	112.7	T17 L18 R19	S15-T17 PolarHBondContact O-N 3.31Å; S15-T17 WeakPolarHBondContact OG-CB 3.12Å; S15-T17 PolarHBondContact OG-N 3.09Å; S15-T17 VanDerWaalsContact OG-N 3.1Å; S15-T17 PolarHBondContact OG-OG1 3.09Å; S15-L18 PolarHBondContact O-N 3.22Å; S15-L18 VanDerWaalsContact O-N 3.14Å; S15-R19 PolarHBondContact O-N 3.24Å
16	E	69.9	Low	71	Confident	148 Å²	148	74.5 Å²	74.5	69%	0.692	39%	0.388	S	S	*	.	H	α-helix	trans	-52.6	-31.5	162.5	-73.1	-174.7	174.6	0	0	111.7	R19 K20	E16-R19 PolarHBondContact O-N 2.79Å; E16-K20 VanDerWaalsContact O-CG 3.29Å; E16-K20 WeakPolarHBondContact O-CG 2.97Å; E16-K20 PolarHBondContact O-N 3.3Å; E16-K20 VanDerWaalsContact O-N 3.08Å
17	T	81.8	Confident	73.1	Confident	77 Å²	77	76.3 Å²	76.3	47%	0.472	39%	0.391	S	S	.	.	H	α-helix	trans	-63.8	-45.8	177.4	-48.4	0	0	0	0	111.6	S15 R19 K20 M21 Y92	S15-T17 PolarHBondContact O-N 3.31Å; S15-T17 WeakPolarHBondContact OG-CB 3.12Å; S15-T17 PolarHBondContact OG-N 3.09Å; S15-T17 VanDerWaalsContact OG-N 3.1Å; S15-T17 PolarHBondContact OG-OG1 3.09Å; T17-R19 VanDerWaalsContact C-N 3.35Å; T17-R19 PolarHBondContact O-N 3.33Å; T17-K20 PolarHBondContact O-N 2.86Å; T17-M21 HydrophobicContact CG2-CG 4.48Å; T17-M21 VanDerWaalsContact O-CG 3.32Å; T17-M21 WeakPolarHBondContact O-CG 3.42Å; T17-M21 PolarHBondContact O-N 2.92Å; T17-Y92 HydrophobicContact CG2-CE1 4.31Å
18	L	84.8	Confident	75.1	Confident	3 Å²	3	76 Å²	76	2%	0.016	39%	0.39	C	S	.	.	H	α-helix	trans	-59.5	-46.6	177.6	-179.5	80	0	0	0	110.8	S15 K20 M21 Y22 I24 Y92 L99 I101	S15-L18 PolarHBondContact O-N 3.22Å; S15-L18 VanDerWaalsContact O-N 3.14Å; L18-K20 VanDerWaalsContact C-N 3.27Å; L18-K20 PolarHBondContact O-N 3.28Å; L18-M21 PolarHBondContact O-N 3.45Å; L18-M21 VanDerWaalsContact O-N 3.08Å; L18-Y22 HydrophobicContact CD1-CD2 3.92Å; L18-Y22 PolarHBondContact O-N 3.34Å; L18-I24 HydrophobicContact CD2-CD1 4.16Å; L18-Y92 HydrophobicContact CB-CD1 4.25Å; L18-Y92 HydrophobicContact CB-CE1 4.26Å; L18-Y92 HydrophobicContact CD1-CD1 4.35Å; L18-Y92 HydrophobicContact CD1-CD2 3.46Å; L18-Y92 VanDerWaalsContact CD1-CD2 3.46Å; L18-Y92 HydrophobicContact CD1-CE1 4.35Å; L18-Y92 HydrophobicContact CD1-CE2 3.51Å; L18-Y92 HydrophobicContact CD1-CG 3.94Å; L18-L99 HydrophobicContact CD1-CD1 4.38Å; L18-L99 HydrophobicContact CD2-CD1 3.34Å; L18-L99 HydrophobicContact CG-CD1 4.45Å; L18-I101 HydrophobicContact CD1-CD1 4Å
19	R	79.4	Confident	76.9	Confident	160 Å²	160	76 Å²	76	60%	0.604	40%	0.398	S	S	*	.	H	α-helix	trans	-61.8	-33.3	178.6	-78	-177.1	167	164.8	3	113.1	I12 S15 E16 T17 M21	I12-R19 HydrophobicContact CG2-CG 3.91Å; S15-R19 PolarHBondContact O-N 3.24Å; E16-R19 PolarHBondContact O-N 2.79Å; T17-R19 VanDerWaalsContact C-N 3.35Å; T17-R19 PolarHBondContact O-N 3.33Å; R19-M21 VanDerWaalsContact C-N 3.34Å
20	K	89.2	Confident	78.6	Confident	144 Å²	144	74.1 Å²	74.1	63%	0.626	40%	0.398	S	S	*	.	H	α-helix	trans	-70	-33.3	175.1	-73.1	170.3	-175.7	172.1	0	111.8	E16 T17 L18 V42	E16-K20 VanDerWaalsContact O-CG 3.29Å; E16-K20 WeakPolarHBondContact O-CG 2.97Å; E16-K20 PolarHBondContact O-N 3.3Å; E16-K20 VanDerWaalsContact O-N 3.08Å; T17-K20 PolarHBondContact O-N 2.86Å; L18-K20 VanDerWaalsContact C-N 3.27Å; L18-K20 PolarHBondContact O-N 3.28Å; K20-V42 WeakPolarHBondContact O-CB 3.29Å
21	M	94.5	Very high	79.9	Confident	70 Å²	70	68 Å²	68	35%	0.345	39%	0.391	S	S	.	.	H	α-helix	trans	-92.6	-33	-174.5	-65.3	-59.8	-71.7	0	0	113.6	T17 L18 R19 R41 V42	T17-M21 HydrophobicContact CG2-CG 4.48Å; T17-M21 VanDerWaalsContact O-CG 3.32Å; T17-M21 WeakPolarHBondContact O-CG 3.42Å; T17-M21 PolarHBondContact O-N 2.92Å; L18-M21 PolarHBondContact O-N 3.45Å; L18-M21 VanDerWaalsContact O-N 3.08Å; R19-M21 VanDerWaalsContact C-N 3.34Å; M21-R41 CarbonylContact O-C 3.58Å; M21-R41 WeakPolarHBondContact O-CA 3.43Å; M21-V42 PolarHBondContact O-N 2.98Å
22	Y	95.8	Very high	81.1	Confident	8 Å²	8	70.6 Å²	70.6	3%	0.031	42%	0.418	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	131.5	-172.7	-60.2	-82.7	0	0	0	112.3	L18 F40 R41 V48 D90 Y92 I101	L18-Y22 HydrophobicContact CD1-CD2 3.92Å; L18-Y22 PolarHBondContact O-N 3.34Å; Y22-F40 CarbonylContact C-O 3.59Å; Y22-F40 WeakPolarHBondContact CA-O 3.17Å; Y22-R41 HydrophobicContact CD1-CB 3.82Å; Y22-R41 HydrophobicContact CD1-CG 4.08Å; Y22-R41 HydrophobicContact CE1-CB 3.66Å; Y22-R41 HydrophobicContact CE1-CG 3.66Å; Y22-V48 HydrophobicContact CD1-CG1 4.25Å; Y22-V48 HydrophobicContact CD1-CG2 3.9Å; Y22-V48 HydrophobicContact CE1-CG1 3.98Å; Y22-V48 HydrophobicContact CE1-CG2 4.41Å; Y22-D90 HydrophobicContact CE2-CB 4.4Å; Y22-Y92 HydrophobicContact CD2-CE2 4.35Å; Y22-Y92 HydrophobicContact CE2-CE2 4.02Å; Y22-I101 HydrophobicContact CD1-CG2 4.03Å; Y22-I101 HydrophobicContact CE1-CG2 3.55Å; Y22-I101 HydrophobicContact CE2-CG1 4.29Å; Y22-I101 HydrophobicContact CE2-CG2 4.24Å
23	K	95.2	Very high	82.4	Confident	150 Å²	150	72 Å²	72	65%	0.652	42%	0.424	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-91.9	114	167.9	-174.6	177.9	-178.3	178.8	0	109	G39 F40	K23-G39 CarbonylContact O-C 3.52Å; K23-G39 WeakPolarHBondContact O-CA 3.4Å; K23-F40 PolarHBondContact N-O 2.78Å; K23-F40 PolarHBondContact O-N 3.45Å
24	I	92.6	Very high	84.1	Confident	39 Å²	39	68 Å²	68	20%	0.2	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	136.2	176.5	-46.3	-164.4	0	0	0	109.5	I12 L18 Y37 I50	I12-I24 HydrophobicContact CD1-CD1 4.33Å; I12-I24 HydrophobicContact CG1-CD1 3.72Å; L18-I24 HydrophobicContact CD2-CD1 4.16Å; I24-Y37 HydrophobicContact CG2-CG 4.11Å; I24-I50 HydrophobicContact CB-CD1 4.27Å; I24-I50 HydrophobicContact CD1-CD1 4.12Å; I24-I50 HydrophobicContact CG1-CD1 3.7Å; I24-I50 HydrophobicContact CG2-CD1 4.25Å
25	G	93.7	Very high	86	Confident	31 Å²	31	67.3 Å²	67.3	32%	0.32	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	-151	175.9	0	0	0	0	0	112.4	C38	G25-C38 WeakPolarHBondContact CA-O 3.39Å; G25-C38 PolarHBondContact N-O 3.29Å
26	G	93.4	Very high	87.6	Confident	44 Å²	44	67.5 Å²	67.5	45%	0.454	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.1	164.9	179.3	0	0	0	0	0	113.7	Y37 C38	G26-Y37 CarbonylContact O-C 3.53Å; G26-Y37 WeakPolarHBondContact O-CA 3.43Å; G26-C38 PolarHBondContact N-SG 3.32Å; G26-C38 PolarHBondContact O-N 3.36Å; G26-C38 PolarHBondContact O-SG 3.33Å; G26-C38 VanDerWaalsContact O-SG 3.35Å
27	E	94.7	Very high	88.8	Confident	82 Å²	82	60.7 Å²	60.7	38%	0.383	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.3	133.2	172	-171	175.6	146.6	0	0	110.4	S30 T35 Y37	E27-S30 WeakPolarHBondContact OE1-CB 3.42Å; E27-S30 PolarHBondContact OE1-N 3.29Å; E27-S30 PolarHBondContact OE1-OG 2.97Å; E27-T35 HydrophobicContact CG-CG2 3.87Å; E27-Y37 HydrophobicContact CB-CD1 4.18Å; E27-Y37 HydrophobicContact CB-CE1 4.24Å
28	L	92.6	Very high	89.5	Confident	98 Å²	98	58.3 Å²	58.3	51%	0.513	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	-34.3	169.4	-69.4	172.1	0	0	0	110.8	V36 C38	L28-V36 HydrophobicContact CB-CG1 4.42Å; L28-V36 HydrophobicContact CD1-CG1 4.23Å; L28-V36 PolarHBondContact N-O 2.62Å; L28-C38 HydrophobicContact CD1-CB 3.88Å; L28-C38 HydrophobicContact CD2-CB 3.88Å; L28-C38 HydrophobicContact CG-CB 3.8Å
29	G	89.4	Confident	90	Very high	31 Å²	31	58.1 Å²	58.1	32%	0.32	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-179.6	164.4	174.6	0	0	0	0	0	112.4	V36	G29-V36 PolarHBondContact N-O 3.23Å; G29-V36 PolarHBondContact O-N 2.83Å
30	S	85.9	Confident	90.9	Very high	83 Å²	83	55 Å²	55	58%	0.58	33%	0.334	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-139.2	146.3	174.7	45.8	0	0	0	0	111.1	E27 G34	E27-S30 WeakPolarHBondContact OE1-CB 3.42Å; E27-S30 PolarHBondContact OE1-N 3.29Å; E27-S30 PolarHBondContact OE1-OG 2.97Å; S30-G34 WeakPolarHBondContact CA-O 3.41Å
31	G	80.3	Confident	91.3	Very high	51 Å²	51	50.8 Å²	50.8	53%	0.526	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-174.4	-164.7	178.9	0	0	0	0	0	113.2	F33 G34	G31-F33 PolarHBondContact O-N 2.94Å; G31-G34 PolarHBondContact N-O 2.88Å; G31-G34 PolarHBondContact O-N 2.9Å
32	G	75.4	Confident	91.4	Very high	63 Å²	63	51.5 Å²	51.5	65%	0.649	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.9	-22	179.8	0	0	0	0	0	114.2	G34	G32-G34 VanDerWaalsContact C-N 3.35Å
33	F	76.8	Confident	91.4	Very high	56 Å²	56	57.1 Å²	57.1	25%	0.246	35%	0.348	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.2	-0.1	179.1	-52.8	-77.4	0	0	0	113.6	G31 K51 D168 R186	G31-F33 PolarHBondContact O-N 2.94Å; F33-K51 WeakPolarHBondContact O-CE 3.29Å; F33-D168 VanDerWaalsContact CB-OD2 3.27Å; F33-D168 WeakPolarHBondContact CB-OD2 3.16Å; F33-D168 VanDerWaalsContact CD1-OD2 3.31Å; F33-D168 WeakPolarHBondContact CD1-OD2 3.37Å; F33-D168 WeakPolarHBondContact CD2-OD2 3.47Å; F33-D168 WeakPolarHBondContact CG-OD2 3.46Å; F33-R186 VanDerWaalsContact CE2-NH2 3.28Å
34	G	85.7	Confident	91.5	Very high	15 Å²	15	53.7 Å²	53.7	16%	0.155	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	110.4	-165.6	-177.4	0	0	0	0	0	113.3	S30 G31 G32 Y52	S30-G34 WeakPolarHBondContact CA-O 3.41Å; G31-G34 PolarHBondContact N-O 2.88Å; G31-G34 PolarHBondContact O-N 2.9Å; G32-G34 VanDerWaalsContact C-N 3.35Å; G34-Y52 VanDerWaalsContact CA-O 3.31Å; G34-Y52 WeakPolarHBondContact CA-O 3.45Å
35	T	92.8	Very high	91.7	Very high	25 Å²	25	53.8 Å²	53.8	15%	0.153	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	131.4	179.3	-50.4	0	0	0	0	109.8	E27 Y37 K51 Y52	E27-T35 HydrophobicContact CG-CG2 3.87Å; T35-Y37 HydrophobicContact CG2-CD2 4.32Å; T35-Y37 HydrophobicContact CG2-CE1 3.88Å; T35-Y37 HydrophobicContact CG2-CE2 3.59Å; T35-Y37 WeakPolarHBondContact CG2-OH 3.5Å; T35-K51 WeakPolarHBondContact O-CA 3.39Å; T35-Y52 PolarHBondContact N-O 2.8Å; T35-Y52 PolarHBondContact O-N 3.18Å
36	V	95.1	Very high	91.9	Very high	39 Å²	39	55 Å²	55	24%	0.236	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	128.6	179.2	-171.3	0	0	0	0	109.4	L28 G29 A49 I50 K51	L28-V36 HydrophobicContact CB-CG1 4.42Å; L28-V36 HydrophobicContact CD1-CG1 4.23Å; L28-V36 PolarHBondContact N-O 2.62Å; G29-V36 PolarHBondContact N-O 3.23Å; G29-V36 PolarHBondContact O-N 2.83Å; V36-A49 HydrophobicContact CG1-CB 4.1Å; V36-I50 CarbonylContact C-O 3.6Å; V36-I50 WeakPolarHBondContact CA-O 3.47Å; V36-K51 HydrophobicContact CG2-CB 4.13Å; V36-K51 HydrophobicContact CG2-CG 4.1Å
37	Y	95.6	Very high	92.1	Very high	5 Å²	5	54.3 Å²	54.3	2%	0.02	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	147.3	176.4	-55.8	-87.3	0	0	0	110.4	I8 I24 G26 E27 T35 A49 I50	I8-Y37 HydrophobicContact CD1-CD1 4.14Å; I8-Y37 HydrophobicContact CD1-CE1 3.71Å; I8-Y37 HydrophobicContact CG1-CD1 4.03Å; I8-Y37 HydrophobicContact CG1-CE1 3.32Å; I24-Y37 HydrophobicContact CG2-CG 4.11Å; G26-Y37 CarbonylContact O-C 3.53Å; G26-Y37 WeakPolarHBondContact O-CA 3.43Å; E27-Y37 HydrophobicContact CB-CD1 4.18Å; E27-Y37 HydrophobicContact CB-CE1 4.24Å; T35-Y37 HydrophobicContact CG2-CD2 4.32Å; T35-Y37 HydrophobicContact CG2-CE1 3.88Å; T35-Y37 HydrophobicContact CG2-CE2 3.59Å; T35-Y37 WeakPolarHBondContact CG2-OH 3.5Å; Y37-A49 WeakPolarHBondContact O-CA 3.1Å; Y37-I50 PolarHBondContact N-O 3.06Å; Y37-I50 PolarHBondContact O-N 3.22Å
38	C	96.5	Very high	92.3	Very high	27 Å²	27	50.4 Å²	50.4	18%	0.182	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.4	158.1	164.3	73.2	0	0	0	0	109.4	G25 G26 L28	G25-C38 WeakPolarHBondContact CA-O 3.39Å; G25-C38 PolarHBondContact N-O 3.29Å; G26-C38 PolarHBondContact N-SG 3.32Å; G26-C38 PolarHBondContact O-N 3.36Å; G26-C38 PolarHBondContact O-SG 3.33Å; G26-C38 VanDerWaalsContact O-SG 3.35Å; L28-C38 HydrophobicContact CD1-CB 3.88Å; L28-C38 HydrophobicContact CD2-CB 3.88Å; L28-C38 HydrophobicContact CG-CB 3.8Å
39	G	96.3	Very high	92.6	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-167.7	-175.7	172.9	0	0	0	0	0	112.2	K23 V48 R104	K23-G39 CarbonylContact O-C 3.52Å; K23-G39 WeakPolarHBondContact O-CA 3.4Å; G39-V48 PolarHBondContact N-O 3.1Å; G39-V48 PolarHBondContact O-N 2.87Å; G39-R104 PolarHBondContact O-NH2 3.42Å
40	F	97.6	Very high	92.9	Very high	94 Å²	94	44.9 Å²	44.9	41%	0.412	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	139.7	175.2	-61.3	-85.8	0	0	0	110.2	Y22 K23 G45 L46 P47	Y22-F40 CarbonylContact C-O 3.59Å; Y22-F40 WeakPolarHBondContact CA-O 3.17Å; K23-F40 PolarHBondContact N-O 2.78Å; K23-F40 PolarHBondContact O-N 3.45Å; F40-G45 WeakPolarHBondContact CD1-O 2.86Å; F40-L46 CarbonylContact C-O 3.17Å; F40-L46 WeakPolarHBondContact CA-O 3Å; F40-P47 HydrophobicContact CD1-CB 4.46Å; F40-P47 HydrophobicContact CD1-CG 4.34Å; F40-P47 HydrophobicContact CE1-CB 4.32Å; F40-P47 HydrophobicContact CE1-CG 4.11Å
41	R	97.5	Very high	93.4	Very high	55 Å²	55	41.3 Å²	41.3	21%	0.208	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74	130.7	167.7	-171.7	162.9	69.4	177.1	0.3	109.5	M21 Y22 H43 D44 G45 L46	M21-R41 CarbonylContact O-C 3.58Å; M21-R41 WeakPolarHBondContact O-CA 3.43Å; Y22-R41 HydrophobicContact CD1-CB 3.82Å; Y22-R41 HydrophobicContact CD1-CG 4.08Å; Y22-R41 HydrophobicContact CE1-CB 3.66Å; Y22-R41 HydrophobicContact CE1-CG 3.66Å; R41-H43 WeakPolarHBondContact CD-CE1 3.31Å; R41-H43 PolarHBondContact NE-CE1 3.18Å; R41-H43 PolarHBondContact NE-NE2 3.08Å; R41-H43 PolarHBondContact O-N 3.36Å; R41-D44 WeakPolarHBondContact CB-OD1 3.27Å; R41-D44 IonicContact CZ-OD1 3.85Å; R41-D44 IonicContact CZ-OD2 3.76Å; R41-D44 IonicContact NE-OD1 3.42Å; R41-D44 PolarHBondContact NE-OD1 2.89Å; R41-D44 IonicContact NE-OD2 2.75Å; R41-D44 PolarHBondContact NE-OD2 3.41Å; R41-D44 IonicContact NH2-OD1 3.1Å; R41-D44 IonicContact NH2-OD2 2.72Å; R41-D44 PolarHBondContact NH2-OD2 2.94Å; R41-G45 VanDerWaalsContact O-CA 3.23Å; R41-G45 WeakPolarHBondContact O-CA 3.48Å; R41-G45 PolarHBondContact O-N 3.14Å; R41-L46 HydrophobicContact CB-CB 4.12Å; R41-L46 PolarHBondContact N-O 3.44Å
42	V	96.7	Very high	94	Very high	86 Å²	86	40.3 Å²	40.3	52%	0.521	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.3	-40.3	-165.4	172	0	0	0	0	112.6	K20 M21 D44	K20-V42 WeakPolarHBondContact O-CB 3.29Å; M21-V42 PolarHBondContact O-N 2.98Å; V42-D44 PolarHBondContact O-N 3.16Å
43	H	95.8	Very high	94.8	Very high	125 Å²	125	38 Å²	38	58%	0.579	21%	0.208	S	C	*	.	T	Hydrogen-bonded Turn	trans	-76.2	-23.7	-170.5	67.4	-99.4	0	0	0	114.5	R41	R41-H43 WeakPolarHBondContact CD-CE1 3.31Å; R41-H43 PolarHBondContact NE-CE1 3.18Å; R41-H43 PolarHBondContact NE-NE2 3.08Å; R41-H43 PolarHBondContact O-N 3.36Å
44	D	97.3	Very high	95.6	Very high	78 Å²	78	37.9 Å²	37.9	42%	0.417	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	-133.2	-1.6	-175.7	64.8	-12.2	0	0	0	114.1	R41 V42 L46	R41-D44 WeakPolarHBondContact CB-OD1 3.27Å; R41-D44 IonicContact CZ-OD1 3.85Å; R41-D44 IonicContact CZ-OD2 3.76Å; R41-D44 IonicContact NE-OD1 3.42Å; R41-D44 PolarHBondContact NE-OD1 2.89Å; R41-D44 IonicContact NE-OD2 2.75Å; R41-D44 PolarHBondContact NE-OD2 3.41Å; R41-D44 IonicContact NH2-OD1 3.1Å; R41-D44 IonicContact NH2-OD2 2.72Å; R41-D44 PolarHBondContact NH2-OD2 2.94Å; V42-D44 PolarHBondContact O-N 3.16Å; D44-L46 PolarHBondContact O-N 2.84Å; D44-L46 WeakPolarHBondContact OD1-CB 3.39Å; D44-L46 PolarHBondContact OD1-N 2.94Å; D44-L46 VanDerWaalsContact OD1-N 3.13Å
45	G	97.1	Very high	96	Very high	41 Å²	41	40.8 Å²	40.8	42%	0.423	22%	0.217	S	C	.	.			trans	68.4	15.2	-178.1	0	0	0	0	0	113.8	F40 R41 P47	F40-G45 WeakPolarHBondContact CD1-O 2.86Å; R41-G45 VanDerWaalsContact O-CA 3.23Å; R41-G45 WeakPolarHBondContact O-CA 3.48Å; R41-G45 PolarHBondContact O-N 3.14Å; G45-P47 WeakPolarHBondContact O-CD 3.45Å
46	L	97.8	Very high	96	Very high	58 Å²	58	44.1 Å²	44.1	30%	0.304	24%	0.241	S	C	.	.			trans	-59.9	123.8	-179.6	-179.3	70.3	0	0	0	110.1	F40 R41 D44 V48 L89	F40-L46 CarbonylContact C-O 3.17Å; F40-L46 WeakPolarHBondContact CA-O 3Å; R41-L46 HydrophobicContact CB-CB 4.12Å; R41-L46 PolarHBondContact N-O 3.44Å; D44-L46 PolarHBondContact O-N 2.84Å; D44-L46 WeakPolarHBondContact OD1-CB 3.39Å; D44-L46 PolarHBondContact OD1-N 2.94Å; D44-L46 VanDerWaalsContact OD1-N 3.13Å; L46-V48 PolarHBondContact O-N 2.96Å; L46-L89 HydrophobicContact CD2-CD1 3.82Å
47	P	98.2	Very high	95.8	Very high	29 Å²	29	46.9 Å²	46.9	19%	0.188	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.6	131.7	173.4	-23.4	34.9	0	0	0	111.7	F40 G45 R104 T106	F40-P47 HydrophobicContact CD1-CB 4.46Å; F40-P47 HydrophobicContact CD1-CG 4.34Å; F40-P47 HydrophobicContact CE1-CB 4.32Å; F40-P47 HydrophobicContact CE1-CG 4.11Å; G45-P47 WeakPolarHBondContact O-CD 3.45Å; P47-R104 PolarHBondContact O-N 3.14Å; P47-T106 HydrophobicContact CB-CG2 4.02Å; P47-T106 HydrophobicContact CG-CG2 4.41Å
48	V	98.4	Very high	95.7	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	157	179.2	-61	0	0	0	0	112.4	Y22 G39 L46 I50 L89 I101 M102 R104	Y22-V48 HydrophobicContact CD1-CG1 4.25Å; Y22-V48 HydrophobicContact CD1-CG2 3.9Å; Y22-V48 HydrophobicContact CE1-CG1 3.98Å; Y22-V48 HydrophobicContact CE1-CG2 4.41Å; G39-V48 PolarHBondContact N-O 3.1Å; G39-V48 PolarHBondContact O-N 2.87Å; L46-V48 PolarHBondContact O-N 2.96Å; V48-I50 HydrophobicContact CG2-CD1 4.19Å; V48-I50 HydrophobicContact CG2-CG1 4.03Å; V48-L89 HydrophobicContact CG1-CD1 3.59Å; V48-I101 HydrophobicContact CB-CG2 4.11Å; V48-I101 HydrophobicContact CG1-CG2 4.21Å; V48-I101 HydrophobicContact CG2-CG2 4.37Å; V48-M102 CarbonylContact C-O 3.6Å; V48-M102 VanDerWaalsContact CA-O 3.25Å; V48-M102 WeakPolarHBondContact CA-O 3.36Å; V48-M102 VanDerWaalsContact CB-O 3.31Å; V48-M102 WeakPolarHBondContact CB-O 3.26Å; V48-R104 VanDerWaalsContact C-CB 3.45Å; V48-R104 WeakPolarHBondContact O-CD 3.18Å; V48-R104 PolarHBondContact O-NE 3.33Å
49	A	97.5	Very high	95.5	Very high	12 Å²	12	52.5 Å²	52.5	10%	0.099	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	136.4	165.2	0	0	0	0	0	108.5	V36 Y37 M102 R104	V36-A49 HydrophobicContact CG1-CB 4.1Å; Y37-A49 WeakPolarHBondContact O-CA 3.1Å; A49-M102 HydrophobicContact CB-CB 4.46Å; A49-M102 HydrophobicContact CB-CE 4.34Å; A49-M102 PolarHBondContact N-O 2.93Å; A49-M102 PolarHBondContact O-N 2.97Å; A49-R104 HydrophobicContact CB-CB 4.18Å; A49-R104 HydrophobicContact CB-CG 4.45Å
50	I	96.3	Very high	95.4	Very high	0 Å²	0	54.6 Å²	54.6	0%	0	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	100.5	-174.9	-56.5	172.4	0	0	0	107.1	I24 V36 Y37 V48 L99 I101	I24-I50 HydrophobicContact CB-CD1 4.27Å; I24-I50 HydrophobicContact CD1-CD1 4.12Å; I24-I50 HydrophobicContact CG1-CD1 3.7Å; I24-I50 HydrophobicContact CG2-CD1 4.25Å; V36-I50 CarbonylContact C-O 3.6Å; V36-I50 WeakPolarHBondContact CA-O 3.47Å; Y37-I50 PolarHBondContact N-O 3.06Å; Y37-I50 PolarHBondContact O-N 3.22Å; V48-I50 HydrophobicContact CG2-CD1 4.19Å; V48-I50 HydrophobicContact CG2-CG1 4.03Å; I50-L99 HydrophobicContact CG2-CD2 4.14Å; I50-I101 HydrophobicContact CB-CD1 4.31Å; I50-I101 HydrophobicContact CG1-CD1 3.97Å; I50-I101 HydrophobicContact CG2-CD1 3.81Å
51	K	95.7	Very high	95.3	Very high	9 Å²	9	54.2 Å²	54.2	4%	0.039	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	121.1	177.9	-179.2	177.1	-178.9	-178.7	0	109.3	F33 T35 V36 V53 E72 L99 I100 M102 D168	F33-K51 WeakPolarHBondContact O-CE 3.29Å; T35-K51 WeakPolarHBondContact O-CA 3.39Å; V36-K51 HydrophobicContact CG2-CB 4.13Å; V36-K51 HydrophobicContact CG2-CG 4.1Å; K51-V53 HydrophobicContact CD-CG2 4.33Å; K51-V53 HydrophobicContact CG-CG2 4.05Å; K51-E72 IonicContact NZ-OE1 3.89Å; K51-E72 PolarHBondContact NZ-OE1 3.48Å; K51-E72 IonicContact NZ-OE2 2.64Å; K51-E72 PolarHBondContact NZ-OE2 2.95Å; K51-L99 CarbonylContact O-C 3.52Å; K51-L99 WeakPolarHBondContact O-CA 3.22Å; K51-I100 HydrophobicContact CB-CB 4.3Å; K51-I100 PolarHBondContact N-O 2.99Å; K51-I100 PolarHBondContact O-N 2.85Å; K51-M102 HydrophobicContact CB-CE 3.58Å; K51-M102 HydrophobicContact CD-CE 4.42Å; K51-D168 IonicContact NZ-OD1 3.33Å; K51-D168 PolarHBondContact NZ-OD1 3.38Å; K51-D168 IonicContact NZ-OD2 3.25Å
52	Y	93.9	Very high	95.3	Very high	30 Å²	30	52.2 Å²	52.2	12%	0.118	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	126.7	169.6	169.6	-109.1	0	0	0	110	G34 T35 N54 D96 F98 L99	G34-Y52 VanDerWaalsContact CA-O 3.31Å; G34-Y52 WeakPolarHBondContact CA-O 3.45Å; T35-Y52 PolarHBondContact N-O 2.8Å; T35-Y52 PolarHBondContact O-N 3.18Å; Y52-N54 HydrophobicContact CE1-CB 4.28Å; Y52-D96 PolarHBondContact OH-O 2.96Å; Y52-D96 PolarHBondContact OH-OD2 2.81Å; Y52-F98 WeakPolarHBondContact CA-O 3.45Å; Y52-L99 HydrophobicContact CD2-CD2 3.94Å; Y52-L99 HydrophobicContact CG-CD2 4.33Å
53	V	93.3	Very high	95.3	Very high	13 Å²	13	54.1 Å²	54.1	8%	0.079	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	119.5	175.6	-173.7	0	0	0	0	108.5	K51 I58 G97 F98 I100	K51-V53 HydrophobicContact CD-CG2 4.33Å; K51-V53 HydrophobicContact CG-CG2 4.05Å; V53-I58 HydrophobicContact CG1-CD1 4.49Å; V53-I58 HydrophobicContact CG1-CG1 3.82Å; V53-G97 CarbonylContact O-C 3.57Å; V53-G97 WeakPolarHBondContact O-CA 3.43Å; V53-F98 PolarHBondContact N-O 2.83Å; V53-F98 PolarHBondContact O-N 2.91Å; V53-I100 HydrophobicContact CG2-CD1 4.01Å
54	N	92.9	Very high	95.3	Very high	55 Å²	55	48.8 Å²	48.8	29%	0.294	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68	137.2	175.6	-170.7	-53.9	0	0	0	110.1	Y52 S56 N57 D96	Y52-N54 HydrophobicContact CE1-CB 4.28Å; N54-S56 PolarHBondContact O-N 2.94Å; N54-S56 PolarHBondContact OD1-N 2.87Å; N54-S56 PolarHBondContact OD1-OG 2.59Å; N54-N57 PolarHBondContact O-N 2.73Å; N54-D96 PolarHBondContact OD1-O 2.88Å
55	R	93.3	Very high	95.1	Very high	75 Å²	75	51.6 Å²	51.6	28%	0.283	29%	0.29	S	S	.	.	G	3₁₀ helix	trans	-54.5	-37	179.4	-172	172.3	-64.5	-93.3	1.4	113	N57 I58 W61 E93 R94 N95 D96	R55-N57 PolarHBondContact O-N 3.34Å; R55-I58 PolarHBondContact O-N 2.85Å; R55-W61 HydrophobicContact CG-CH2 4.01Å; R55-W61 HydrophobicContact CG-CZ2 4.11Å; R55-E93 IonicContact CZ-OE1 3.63Å; R55-E93 IonicContact NH1-OE1 2.6Å; R55-E93 IonicContact NH2-OE1 2.73Å; R55-E93 PolarHBondContact NH2-OE1 2.78Å; R55-R94 PolarHBondContact NH2-O 2.84Å; R55-R94 VanDerWaalsContact NH2-O 3.11Å; R55-N95 PolarHBondContact NE-O 2.96Å; R55-D96 PolarHBondContact N-O 3.44Å
56	S	93.1	Very high	94.9	Very high	95 Å²	95	53 Å²	53	66%	0.664	31%	0.305	S	S	*	.	G	3₁₀ helix	trans	-66.7	-20.8	179	65.1	0	0	0	0	113.8	N54	N54-S56 PolarHBondContact O-N 2.94Å; N54-S56 PolarHBondContact OD1-N 2.87Å; N54-S56 PolarHBondContact OD1-OG 2.59Å
57	N	91.5	Very high	94.8	Very high	98 Å²	98	57.3 Å²	57.3	52%	0.524	32%	0.317	S	S	.	.	G	3₁₀ helix	trans	-94.7	-2.8	-177.1	-62.8	1.7	0	0	0	112.2	N54 R55 T59	N54-N57 PolarHBondContact O-N 2.73Å; R55-N57 PolarHBondContact O-N 3.34Å; N57-T59 PolarHBondContact O-N 2.78Å
58	I	92.9	Very high	94.7	Very high	20 Å²	20	61.4 Å²	61.4	10%	0.103	33%	0.334	C	S	.	.			trans	-82.9	106.6	179.4	-57.6	166.5	0	0	0	109	V53 R55 S60 W61 P70 F98	V53-I58 HydrophobicContact CG1-CD1 4.49Å; V53-I58 HydrophobicContact CG1-CG1 3.82Å; R55-I58 PolarHBondContact O-N 2.85Å; I58-S60 VanDerWaalsContact CG2-O 3.29Å; I58-S60 WeakPolarHBondContact CG2-O 3.21Å; I58-W61 HydrophobicContact CB-CH2 4.4Å; I58-W61 HydrophobicContact CB-CZ2 3.75Å; I58-W61 HydrophobicContact CD1-CH2 3.54Å; I58-W61 HydrophobicContact CD1-CZ2 3.75Å; I58-W61 HydrophobicContact CD1-CZ3 4.11Å; I58-W61 HydrophobicContact CG1-CZ2 4.36Å; I58-W61 HydrophobicContact CG2-CD2 3.79Å; I58-W61 VanDerWaalsContact CG2-CE2 3.46Å; I58-W61 HydrophobicContact CG2-CE3 4.3Å; I58-W61 HydrophobicContact CG2-CG 4.19Å; I58-W61 HydrophobicContact CG2-CH2 4.34Å; I58-W61 HydrophobicContact CG2-CZ2 3.77Å; I58-W61 PolarHBondContact O-NE1 3.35Å; I58-P70 HydrophobicContact CD1-CB 4.18Å; I58-P70 HydrophobicContact CD1-CG 3.71Å; I58-P70 HydrophobicContact CG1-CB 4.37Å; I58-P70 HydrophobicContact CG1-CG 4.35Å; I58-P70 HydrophobicContact CG2-CB 4.03Å; I58-F98 HydrophobicContact CD1-CD2 3.55Å; I58-F98 HydrophobicContact CD1-CE2 3.73Å
59	T	91.7	Very high	94.7	Very high	129 Å²	129	61.4 Å²	61.4	79%	0.791	33%	0.334	S	S	*	.			trans	-85.7	-28.3	177.5	57.3	0	0	0	0	112.7	N57	N57-T59 PolarHBondContact O-N 2.78Å
60	S	94.4	Very high	94.7	Very high	45 Å²	45	61 Å²	61	32%	0.315	33%	0.33	S	S	.	.			trans	-126.3	129	-175.4	-65.4	0	0	0	0	111.6	I58 L71	I58-S60 VanDerWaalsContact CG2-O 3.29Å; I58-S60 WeakPolarHBondContact CG2-O 3.21Å; S60-L71 WeakPolarHBondContact O-CB 3.36Å; S60-L71 PolarHBondContact O-N 2.99Å
61	W	96.4	Very high	94.7	Very high	86 Å²	86	62.2 Å²	62.2	33%	0.326	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	148.6	-177.2	-65.7	86.4	0	0	0	111.1	R55 I58 Q68 F98	R55-W61 HydrophobicContact CG-CH2 4.01Å; R55-W61 HydrophobicContact CG-CZ2 4.11Å; I58-W61 HydrophobicContact CB-CH2 4.4Å; I58-W61 HydrophobicContact CB-CZ2 3.75Å; I58-W61 HydrophobicContact CD1-CH2 3.54Å; I58-W61 HydrophobicContact CD1-CZ2 3.75Å; I58-W61 HydrophobicContact CD1-CZ3 4.11Å; I58-W61 HydrophobicContact CG1-CZ2 4.36Å; I58-W61 HydrophobicContact CG2-CD2 3.79Å; I58-W61 VanDerWaalsContact CG2-CE2 3.46Å; I58-W61 HydrophobicContact CG2-CE3 4.3Å; I58-W61 HydrophobicContact CG2-CG 4.19Å; I58-W61 HydrophobicContact CG2-CH2 4.34Å; I58-W61 HydrophobicContact CG2-CZ2 3.77Å; I58-W61 PolarHBondContact O-NE1 3.35Å; W61-Q68 HydrophobicContact CB-CG 4.28Å; W61-Q68 HydrophobicContact CD2-CG 4.31Å; W61-Q68 HydrophobicContact CE3-CG 3.71Å; W61-Q68 HydrophobicContact CZ3-CG 4.38Å; W61-F98 AromaticContact CH2-CE2 3.65Å; W61-F98 HydrophobicContact CH2-CE2 3.65Å; W61-F98 HydrophobicContact CH2-CZ 4.16Å; W61-F98 AromaticContact CZ3-CE2 3.63Å; W61-F98 HydrophobicContact CZ3-CE2 3.63Å; W61-F98 AromaticContact CZ3-CZ 3.72Å; W61-F98 HydrophobicContact CZ3-CZ 3.72Å
62	G	96.1	Very high	94.8	Very high	13 Å²	13	62.4 Å²	62.4	13%	0.134	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	175.2	173.7	0	0	0	0	0	111.8	Q68 V69	G62-Q68 WeakPolarHBondContact O-CA 3.32Å; G62-V69 PolarHBondContact N-O 2.9Å; G62-V69 PolarHBondContact O-N 3.29Å
63	M	96.9	Very high	95	Very high	125 Å²	125	61 Å²	61	62%	0.616	33%	0.332	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-110.6	128.8	175.6	-65.6	-59.3	-65.1	0	0	109.8	G66 R67 Q68	M63-G66 WeakPolarHBondContact CE-O 3.41Å; M63-R67 WeakPolarHBondContact CA-O 3.34Å; M63-Q68 HydrophobicContact SD-CB 3.89Å; M63-Q68 HydrophobicContact SD-CG 4.32Å
64	L	96	Very high	95.2	Very high	13 Å²	13	60.8 Å²	60.8	7%	0.068	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	119.8	174.8	-179.1	61	0	0	0	109.5	G66 R67 V69 I73 W77	L64-G66 PolarHBondContact O-N 3.34Å; L64-R67 PolarHBondContact N-O 3.19Å; L64-R67 PolarHBondContact O-N 3.08Å; L64-V69 HydrophobicContact CB-CG2 3.75Å; L64-I73 HydrophobicContact CD2-CG2 3.9Å; L64-W77 HydrophobicContact CD1-CB 4.38Å; L64-W77 HydrophobicContact CD1-CD2 4.26Å; L64-W77 HydrophobicContact CD1-CG 3.76Å; L64-W77 HydrophobicContact CD2-CB 4.11Å; L64-W77 HydrophobicContact CD2-CD2 4.37Å; L64-W77 HydrophobicContact CD2-CG 4.06Å
65	N	93.5	Very high	95.5	Very high	137 Å²	137	58.1 Å²	58.1	73%	0.733	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.9	42.5	-178.3	-59.1	-24.9	0	0	0	113.3	R67	N65-R67 VanDerWaalsContact C-N 3.25Å; N65-R67 PolarHBondContact O-N 3.06Å
66	G	93.7	Very high	95.7	Very high	70 Å²	70	54.6 Å²	54.6	72%	0.722	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	76.5	2.9	-179.5	0	0	0	0	0	115.4	M63 L64	M63-G66 WeakPolarHBondContact CE-O 3.41Å; L64-G66 PolarHBondContact O-N 3.34Å
67	R	95.6	Very high	95.9	Very high	150 Å²	150	54 Å²	54	57%	0.566	29%	0.287	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-107.2	141.1	176.7	-67	-174.4	160.4	-179.6	-10.6	111.6	M63 L64 N65 V69 W91	M63-R67 WeakPolarHBondContact CA-O 3.34Å; L64-R67 PolarHBondContact N-O 3.19Å; L64-R67 PolarHBondContact O-N 3.08Å; N65-R67 VanDerWaalsContact C-N 3.25Å; N65-R67 PolarHBondContact O-N 3.06Å; R67-V69 HydrophobicContact CB-CG1 4.43Å; R67-W91 HydrophobicContact CB-CH2 4.24Å
68	Q	96.6	Very high	96.2	Very high	114 Å²	114	53.4 Å²	53.4	53%	0.533	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	122.2	172	-171	-179.9	45.1	0	0	109.5	W61 G62 M63	W61-Q68 HydrophobicContact CB-CG 4.28Å; W61-Q68 HydrophobicContact CD2-CG 4.31Å; W61-Q68 HydrophobicContact CE3-CG 3.71Å; W61-Q68 HydrophobicContact CZ3-CG 4.38Å; G62-Q68 WeakPolarHBondContact O-CA 3.32Å; M63-Q68 HydrophobicContact SD-CB 3.89Å; M63-Q68 HydrophobicContact SD-CG 4.32Å
69	V	97.3	Very high	96.4	Very high	0 Å²	0	52.5 Å²	52.5	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	160.5	-176.6	-64.5	0	0	0	0	110	G62 L64 R67 L71 I73 C74 W91 F98	G62-V69 PolarHBondContact N-O 2.9Å; G62-V69 PolarHBondContact O-N 3.29Å; L64-V69 HydrophobicContact CB-CG2 3.75Å; R67-V69 HydrophobicContact CB-CG1 4.43Å; V69-L71 PolarHBondContact O-N 2.87Å; V69-I73 HydrophobicContact CB-CB 4.32Å; V69-I73 HydrophobicContact CB-CD1 4.33Å; V69-I73 HydrophobicContact CB-CG2 4.49Å; V69-I73 HydrophobicContact CG2-CB 4.16Å; V69-I73 HydrophobicContact CG2-CG2 4.27Å; V69-C74 WeakPolarHBondContact CG2-SG 3.07Å; V69-W91 HydrophobicContact CG1-CE3 4.29Å; V69-W91 HydrophobicContact CG1-CH2 3.52Å; V69-W91 HydrophobicContact CG1-CZ2 3.88Å; V69-W91 HydrophobicContact CG1-CZ3 3.78Å; V69-F98 HydrophobicContact CB-CE1 4.46Å; V69-F98 HydrophobicContact CG1-CE1 4.21Å
70	P	97.1	Very high	96.7	Very high	4 Å²	4	51 Å²	51	3%	0.026	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-49.8	138.4	168.3	-10.4	5.7	0	0	0	111	I58 E72 I73 F98	I58-P70 HydrophobicContact CD1-CB 4.18Å; I58-P70 HydrophobicContact CD1-CG 3.71Å; I58-P70 HydrophobicContact CG1-CB 4.37Å; I58-P70 HydrophobicContact CG1-CG 4.35Å; I58-P70 HydrophobicContact CG2-CB 4.03Å; P70-E72 PolarHBondContact O-N 2.78Å; P70-E72 VanDerWaalsContact O-N 3.16Å; P70-I73 HydrophobicContact CB-CG1 4.36Å; P70-I73 HydrophobicContact CG-CD1 3.82Å; P70-I73 HydrophobicContact CG-CG1 4.07Å; P70-I73 WeakPolarHBondContact O-CB 3.47Å; P70-I73 PolarHBondContact O-N 3.48Å; P70-F98 HydrophobicContact CG-CB 4.05Å; P70-F98 HydrophobicContact CG-CD1 4.19Å; P70-F98 HydrophobicContact CG-CD2 3.71Å; P70-F98 HydrophobicContact CG-CE2 4.24Å; P70-F98 HydrophobicContact CG-CG 3.7Å
71	L	97.1	Very high	96.8	Very high	25 Å²	25	55.5 Å²	55.5	13%	0.131	27%	0.272	C	S	.	.	H	α-helix	trans	-54.2	-37.8	178.3	179.9	61.5	0	0	0	111	S60 V69 I73 C74 L75 F174	S60-L71 WeakPolarHBondContact O-CB 3.36Å; S60-L71 PolarHBondContact O-N 2.99Å; V69-L71 PolarHBondContact O-N 2.87Å; L71-I73 PolarHBondContact O-N 3.42Å; L71-I73 VanDerWaalsContact O-N 3.17Å; L71-C74 HydrophobicContact CD1-CB 4.35Å; L71-C74 WeakPolarHBondContact O-CA 3.36Å; L71-C74 VanDerWaalsContact O-CB 3.3Å; L71-C74 WeakPolarHBondContact O-CB 3.3Å; L71-C74 PolarHBondContact O-N 3.39Å; L71-L75 HydrophobicContact CD1-CD2 4.1Å; L71-L75 HydrophobicContact CD1-CG 4.29Å; L71-L75 HydrophobicContact CG-CD1 4.13Å; L71-L75 HydrophobicContact CG-CD2 4.31Å; L71-L75 HydrophobicContact CG-CG 4.09Å; L71-L75 WeakPolarHBondContact O-CG 3.44Å; L71-L75 PolarHBondContact O-N 3.28Å; L71-F174 HydrophobicContact CD1-CD2 4.16Å; L71-F174 HydrophobicContact CD1-CE2 3.61Å; L71-F174 HydrophobicContact CD1-CZ 4.39Å
72	E	97.2	Very high	96.9	Very high	13 Å²	13	52.1 Å²	52.1	6%	0.061	26%	0.26	C	S	.	.	H	α-helix	trans	-47.6	-43.3	173.5	-177	176.1	-167.4	0	0	113	K51 P70 L75 L76 I100 F169	K51-E72 IonicContact NZ-OE1 3.89Å; K51-E72 PolarHBondContact NZ-OE1 3.48Å; K51-E72 IonicContact NZ-OE2 2.64Å; K51-E72 PolarHBondContact NZ-OE2 2.95Å; P70-E72 PolarHBondContact O-N 2.78Å; P70-E72 VanDerWaalsContact O-N 3.16Å; E72-L75 PolarHBondContact O-N 2.94Å; E72-L76 HydrophobicContact CG-CD1 3.95Å; E72-L76 HydrophobicContact CG-CG 4.41Å; E72-L76 WeakPolarHBondContact O-CB 3.36Å; E72-L76 WeakPolarHBondContact O-CG 3.31Å; E72-L76 PolarHBondContact O-N 2.92Å; E72-I100 HydrophobicContact CG-CD1 4.24Å; E72-F169 HydrophobicContact CG-CB 4.16Å
73	I	98.1	Very high	97	Very high	0 Å²	0	57.9 Å²	57.9	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-66.2	-41.3	178.7	-61.5	-175.3	0	0	0	110.7	L64 V69 P70 L71 W77 L88 W91 F98 I100	L64-I73 HydrophobicContact CD2-CG2 3.9Å; V69-I73 HydrophobicContact CB-CB 4.32Å; V69-I73 HydrophobicContact CB-CD1 4.33Å; V69-I73 HydrophobicContact CB-CG2 4.49Å; V69-I73 HydrophobicContact CG2-CB 4.16Å; V69-I73 HydrophobicContact CG2-CG2 4.27Å; P70-I73 HydrophobicContact CB-CG1 4.36Å; P70-I73 HydrophobicContact CG-CD1 3.82Å; P70-I73 HydrophobicContact CG-CG1 4.07Å; P70-I73 WeakPolarHBondContact O-CB 3.47Å; P70-I73 PolarHBondContact O-N 3.48Å; L71-I73 PolarHBondContact O-N 3.42Å; L71-I73 VanDerWaalsContact O-N 3.17Å; I73-W77 WeakPolarHBondContact O-CB 3.34Å; I73-W77 PolarHBondContact O-N 3.17Å; I73-L88 HydrophobicContact CG2-CD2 4.12Å; I73-W91 HydrophobicContact CD1-CB 3.98Å; I73-W91 HydrophobicContact CD1-CD2 4.4Å; I73-W91 HydrophobicContact CD1-CG 4.18Å; I73-W91 HydrophobicContact CG2-CB 4.39Å; I73-W91 HydrophobicContact CG2-CD2 4.37Å; I73-W91 HydrophobicContact CG2-CG 3.91Å; I73-F98 HydrophobicContact CD1-CB 4.3Å; I73-F98 HydrophobicContact CD1-CD1 4.11Å; I73-F98 HydrophobicContact CD1-CG 4.44Å; I73-I100 HydrophobicContact CD1-CD1 4.37Å; I73-I100 HydrophobicContact CD1-CG1 4.01Å; I73-I100 HydrophobicContact CG1-CD1 3.85Å; I73-I100 HydrophobicContact CG1-CG1 3.93Å
74	C	98.2	Very high	97	Very high	9 Å²	9	52.3 Å²	52.3	6%	0.061	26%	0.256	C	S	.	.	H	α-helix	trans	-61.4	-44.4	175.4	-64.1	0	0	0	0	111.5	V69 L71 W77 Q78 F174	V69-C74 WeakPolarHBondContact CG2-SG 3.07Å; L71-C74 HydrophobicContact CD1-CB 4.35Å; L71-C74 WeakPolarHBondContact O-CA 3.36Å; L71-C74 VanDerWaalsContact O-CB 3.3Å; L71-C74 WeakPolarHBondContact O-CB 3.3Å; L71-C74 PolarHBondContact O-N 3.39Å; C74-W77 PolarHBondContact O-N 2.94Å; C74-Q78 WeakPolarHBondContact O-CB 3.44Å; C74-Q78 PolarHBondContact O-N 2.7Å; C74-F174 HydrophobicContact CB-CZ 4.47Å
75	L	98.3	Very high	97.2	Very high	0 Å²	0	51.8 Å²	51.8	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-66.5	-48.2	-179	-55.5	178.5	0	0	0	110.9	L71 E72 W77 Q78 T79 I145 F169 G172 F174	L71-L75 HydrophobicContact CD1-CD2 4.1Å; L71-L75 HydrophobicContact CD1-CG 4.29Å; L71-L75 HydrophobicContact CG-CD1 4.13Å; L71-L75 HydrophobicContact CG-CD2 4.31Å; L71-L75 HydrophobicContact CG-CG 4.09Å; L71-L75 WeakPolarHBondContact O-CG 3.44Å; L71-L75 PolarHBondContact O-N 3.28Å; E72-L75 PolarHBondContact O-N 2.94Å; L75-W77 VanDerWaalsContact C-N 3.28Å; L75-W77 PolarHBondContact O-N 3.21Å; L75-Q78 WeakPolarHBondContact O-CB 3.45Å; L75-Q78 PolarHBondContact O-N 2.87Å; L75-Q78 VanDerWaalsContact O-N 3.14Å; L75-T79 WeakPolarHBondContact O-CG2 3.36Å; L75-T79 PolarHBondContact O-N 3.35Å; L75-T79 PolarHBondContact O-OG1 3.23Å; L75-I145 HydrophobicContact CB-CG2 4.39Å; L75-I145 HydrophobicContact CD2-CD1 3.45Å; L75-I145 VanDerWaalsContact CD2-CD1 3.45Å; L75-I145 HydrophobicContact CD2-CG2 4.28Å; L75-F169 HydrophobicContact CB-CB 4.28Å; L75-F169 HydrophobicContact CB-CD1 3.98Å; L75-F169 HydrophobicContact CD1-CB 4.33Å; L75-F169 HydrophobicContact CD1-CD1 4.4Å; L75-G172 VanDerWaalsContact CD1-CA 3.46Å; L75-F174 HydrophobicContact CD2-CD1 4.3Å; L75-F174 HydrophobicContact CD2-CD2 4.48Å; L75-F174 HydrophobicContact CD2-CE1 4.13Å; L75-F174 HydrophobicContact CD2-CE2 4.32Å; L75-F174 HydrophobicContact CD2-CG 4.48Å; L75-F174 HydrophobicContact CD2-CZ 4.14Å
76	L	98.2	Very high	97.4	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	22%	0.22	C	C	.	.	H	α-helix	trans	-62.7	-34.9	176.5	-71.2	172.9	0	0	0	112.4	E72 T79 R80 V85 I86 L88 I100 M102 F169	E72-L76 HydrophobicContact CG-CD1 3.95Å; E72-L76 HydrophobicContact CG-CG 4.41Å; E72-L76 WeakPolarHBondContact O-CB 3.36Å; E72-L76 WeakPolarHBondContact O-CG 3.31Å; E72-L76 PolarHBondContact O-N 2.92Å; L76-T79 WeakPolarHBondContact CA-OG1 3.42Å; L76-T79 PolarHBondContact O-OG1 2.72Å; L76-R80 WeakPolarHBondContact O-CB 3.2Å; L76-R80 PolarHBondContact O-N 2.91Å; L76-V85 HydrophobicContact CD2-CG1 4.37Å; L76-I86 HydrophobicContact CD2-CG2 4.02Å; L76-L88 HydrophobicContact CB-CB 3.97Å; L76-L88 HydrophobicContact CB-CD2 4.23Å; L76-I100 HydrophobicContact CD1-CG2 3.97Å; L76-M102 HydrophobicContact CD1-SD 4.3Å; L76-F169 HydrophobicContact CD2-CB 4.35Å; L76-F169 HydrophobicContact CD2-CD2 3.64Å; L76-F169 HydrophobicContact CD2-CE2 4.17Å; L76-F169 HydrophobicContact CD2-CG 4.1Å; L76-F169 HydrophobicContact CG-CB 4.3Å; L76-F169 HydrophobicContact CG-CD2 4.47Å; L76-F169 HydrophobicContact CG-CG 4.5Å
77	W	97.9	Very high	97.6	Very high	82 Å²	82	48.4 Å²	48.4	31%	0.311	21%	0.209	S	C	.	.	H	α-helix	trans	-64.3	-43.4	173.4	179.2	-103	0	0	0	111.8	L64 I73 C74 L75 R80 L88	L64-W77 HydrophobicContact CD1-CB 4.38Å; L64-W77 HydrophobicContact CD1-CD2 4.26Å; L64-W77 HydrophobicContact CD1-CG 3.76Å; L64-W77 HydrophobicContact CD2-CB 4.11Å; L64-W77 HydrophobicContact CD2-CD2 4.37Å; L64-W77 HydrophobicContact CD2-CG 4.06Å; I73-W77 WeakPolarHBondContact O-CB 3.34Å; I73-W77 PolarHBondContact O-N 3.17Å; C74-W77 PolarHBondContact O-N 2.94Å; L75-W77 VanDerWaalsContact C-N 3.28Å; L75-W77 PolarHBondContact O-N 3.21Å; W77-R80 VanDerWaalsContact CZ2-CZ 3.49Å; W77-R80 WeakPolarHBondContact O-CD 3.34Å; W77-R80 VanDerWaalsContact O-CG 3.22Å; W77-R80 WeakPolarHBondContact O-CG 3.36Å; W77-R80 PolarHBondContact O-NH1 2.89Å; W77-L88 HydrophobicContact CB-CD2 4.03Å; W77-L88 HydrophobicContact CE3-CD2 4.21Å
78	Q	96.9	Very high	97.8	Very high	87 Å²	87	41.5 Å²	41.5	41%	0.407	18%	0.183	S	C	.	.	H	α-helix	trans	-65.5	-41.1	178.5	-171.2	74.3	-7.1	0	0	111.2	C74 L75 H81 I145	C74-Q78 WeakPolarHBondContact O-CB 3.44Å; C74-Q78 PolarHBondContact O-N 2.7Å; L75-Q78 WeakPolarHBondContact O-CB 3.45Å; L75-Q78 PolarHBondContact O-N 2.87Å; L75-Q78 VanDerWaalsContact O-N 3.14Å; Q78-H81 PolarHBondContact O-CE1 2.84Å; Q78-H81 PolarHBondContact O-ND1 3.22Å; Q78-I145 HydrophobicContact CB-CD1 4.14Å; Q78-I145 HydrophobicContact CB-CG1 4.35Å; Q78-I145 HydrophobicContact CG-CD1 4.01Å; Q78-I145 HydrophobicContact CG-CG1 4Å
79	T	97.9	Very high	97.8	Very high	0 Å²	0	38 Å²	38	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-86.9	0	-177	57.9	0	0	0	0	114.3	L75 L76 H81 I82 V85 I145 F169	L75-T79 WeakPolarHBondContact O-CG2 3.36Å; L75-T79 PolarHBondContact O-N 3.35Å; L75-T79 PolarHBondContact O-OG1 3.23Å; L76-T79 WeakPolarHBondContact CA-OG1 3.42Å; L76-T79 PolarHBondContact O-OG1 2.72Å; T79-H81 PolarHBondContact O-N 2.84Å; T79-I82 HydrophobicContact CG2-CD1 3.93Å; T79-I82 WeakPolarHBondContact O-CB 3.44Å; T79-I82 PolarHBondContact O-N 2.87Å; T79-V85 WeakPolarHBondContact OG1-CG1 3.42Å; T79-I145 HydrophobicContact CG2-CB 4.12Å; T79-I145 HydrophobicContact CG2-CG1 3.94Å; T79-I145 HydrophobicContact CG2-CG2 4.02Å; T79-F169 HydrophobicContact CG2-CE1 4.14Å; T79-F169 HydrophobicContact CG2-CZ 4.48Å
80	R	97.4	Very high	97.8	Very high	97 Å²	97	40.4 Å²	40.4	37%	0.366	18%	0.181	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.4	-15.4	-173.3	76.4	-177.7	-178.9	-94.9	9.3	116.5	L76 W77	L76-R80 WeakPolarHBondContact O-CB 3.2Å; L76-R80 PolarHBondContact O-N 2.91Å; W77-R80 VanDerWaalsContact CZ2-CZ 3.49Å; W77-R80 WeakPolarHBondContact O-CD 3.34Å; W77-R80 VanDerWaalsContact O-CG 3.22Å; W77-R80 WeakPolarHBondContact O-CG 3.36Å; W77-R80 PolarHBondContact O-NH1 2.89Å
81	H	96.7	Very high	97.7	Very high	140 Å²	140	41.9 Å²	41.9	65%	0.648	19%	0.186	S	C	*	.	T	Hydrogen-bonded Turn	trans	-96.8	-8.7	179.4	62.9	-80.6	0	0	0	112.9	Q78 T79	Q78-H81 PolarHBondContact O-CE1 2.84Å; Q78-H81 PolarHBondContact O-ND1 3.22Å; T79-H81 PolarHBondContact O-N 2.84Å
82	I	98.4	Very high	97.6	Very high	15 Å²	15	42 Å²	42	8%	0.077	19%	0.185	C	C	.	.			trans	-84	118.7	-179.5	-58.3	174.9	0	0	0	108.7	T79 G84 V85 A139 A143	T79-I82 HydrophobicContact CG2-CD1 3.93Å; T79-I82 WeakPolarHBondContact O-CB 3.44Å; T79-I82 PolarHBondContact O-N 2.87Å; I82-G84 VanDerWaalsContact C-N 3.29Å; I82-G84 PolarHBondContact O-N 2.83Å; I82-V85 HydrophobicContact CB-CB 4.31Å; I82-V85 HydrophobicContact CB-CG2 4.04Å; I82-V85 HydrophobicContact CG2-CB 4.47Å; I82-V85 HydrophobicContact CG2-CG2 3.84Å; I82-V85 PolarHBondContact O-N 2.81Å; I82-V85 VanDerWaalsContact O-N 3.09Å; I82-A139 HydrophobicContact CD1-CB 4.05Å; I82-A139 HydrophobicContact CG1-CB 4.19Å; I82-A139 HydrophobicContact CG2-CB 3.6Å; I82-A143 HydrophobicContact CD1-CB 4.2Å
83	K	97.5	Very high	97.4	Very high	134 Å²	134	45.4 Å²	45.4	58%	0.583	20%	0.201	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.5	-40.9	-173.8	-177.3	-179.2	174.8	-174.2	0	113.4	V85 Y163 K165	K83-V85 VanDerWaalsContact C-N 3.26Å; K83-V85 PolarHBondContact O-N 3.28Å; K83-Y163 PolarHBondContact NZ-OH 3.37Å; K83-K165 PolarHBondContact O-NZ 2.93Å
84	G	98.4	Very high	97	Very high	9 Å²	9	46 Å²	46	9%	0.093	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.3	16.3	-178.7	0	0	0	0	0	114.8	I82 S136 K165 L166	I82-G84 VanDerWaalsContact C-N 3.29Å; I82-G84 PolarHBondContact O-N 2.83Å; G84-S136 WeakPolarHBondContact CA-OG 3.45Å; G84-K165 CarbonylContact O-C 3.47Å; G84-K165 WeakPolarHBondContact O-CA 3.5Å; G84-L166 PolarHBondContact O-N 3.44Å
85	V	98.6	Very high	96.6	Very high	2 Å²	2	53.5 Å²	53.5	1%	0.012	24%	0.242	C	C	.	.	B	Isolated β-bridge	trans	-116.1	143.7	169.2	177.5	0	0	0	0	108.9	L76 T79 I82 K83 R87 C140 L166 F169	L76-V85 HydrophobicContact CD2-CG1 4.37Å; T79-V85 WeakPolarHBondContact OG1-CG1 3.42Å; I82-V85 HydrophobicContact CB-CB 4.31Å; I82-V85 HydrophobicContact CB-CG2 4.04Å; I82-V85 HydrophobicContact CG2-CB 4.47Å; I82-V85 HydrophobicContact CG2-CG2 3.84Å; I82-V85 PolarHBondContact O-N 2.81Å; I82-V85 VanDerWaalsContact O-N 3.09Å; K83-V85 VanDerWaalsContact C-N 3.26Å; K83-V85 PolarHBondContact O-N 3.28Å; V85-R87 PolarHBondContact O-N 2.87Å; V85-C140 VanDerWaalsContact CG2-SG 3.59Å; V85-L166 HydrophobicContact CG2-CB 4.44Å; V85-F169 HydrophobicContact CB-CZ 4.48Å; V85-F169 HydrophobicContact CG1-CE2 3.54Å; V85-F169 HydrophobicContact CG1-CZ 3.67Å; V85-F169 HydrophobicContact CG2-CE2 4.44Å; V85-F169 HydrophobicContact CG2-CZ 3.93Å
86	I	98.5	Very high	96.3	Very high	4 Å²	4	56.2 Å²	56.2	2%	0.021	26%	0.257	C	S	.	.	P	Polyproline II helix	trans	-62.5	125.3	173.5	-160.6	70	0	0	0	110.3	L76 L88 M102 E103 L156 K165 L166 I167	L76-I86 HydrophobicContact CD2-CG2 4.02Å; I86-L88 PolarHBondContact O-N 3.39Å; I86-M102 HydrophobicContact CG1-CB 4.06Å; I86-M102 HydrophobicContact CG2-SD 4.06Å; I86-E103 HydrophobicContact CD1-CG 3.46Å; I86-E103 VanDerWaalsContact CD1-CG 3.46Å; I86-E103 WeakPolarHBondContact CD1-O 3.23Å; I86-E103 HydrophobicContact CG1-CG 3.99Å; I86-L156 HydrophobicContact CD1-CD1 4.27Å; I86-K165 HydrophobicContact CD1-CB 4.5Å; I86-K165 HydrophobicContact CD1-CD 3.94Å; I86-L166 WeakPolarHBondContact CB-O 3.34Å; I86-L166 PolarHBondContact N-O 3.07Å; I86-I167 HydrophobicContact CB-CG2 3.77Å; I86-I167 HydrophobicContact CD1-CG2 4.4Å; I86-I167 HydrophobicContact CG1-CG2 4.14Å; I86-I167 HydrophobicContact CG2-CB 4.4Å; I86-I167 HydrophobicContact CG2-CG2 3.9Å
87	R	98.4	Very high	96	Very high	132 Å²	132	56.2 Å²	56.2	50%	0.498	26%	0.257	S	S	.	.	P	Polyproline II helix	trans	-75.7	123.1	-175.6	-175.5	175.7	175.6	175.3	1.5	111.4	V85 L89 M102 E103	V85-R87 PolarHBondContact O-N 2.87Å; R87-L89 HydrophobicContact CG-CD2 4.2Å; R87-L89 PolarHBondContact O-N 2.88Å; R87-M102 CarbonylContact O-C 3.51Å; R87-M102 VanDerWaalsContact O-CA 3.31Å; R87-M102 WeakPolarHBondContact O-CA 3.43Å; R87-E103 HydrophobicContact CB-CB 4.37Å; R87-E103 HydrophobicContact CB-CG 3.96Å; R87-E103 VanDerWaalsContact CB-OE1 3.27Å; R87-E103 WeakPolarHBondContact CB-OE1 3.45Å; R87-E103 PolarHBondContact N-OE1 3.46Å; R87-E103 PolarHBondContact O-N 3.49Å
88	L	98.4	Very high	95.9	Very high	5 Å²	5	52.3 Å²	52.3	3%	0.026	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.2	123.4	160.9	-175.5	66.9	0	0	0	109.8	I73 L76 W77 I86 D90 I100	I73-L88 HydrophobicContact CG2-CD2 4.12Å; L76-L88 HydrophobicContact CB-CB 3.97Å; L76-L88 HydrophobicContact CB-CD2 4.23Å; W77-L88 HydrophobicContact CB-CD2 4.03Å; W77-L88 HydrophobicContact CE3-CD2 4.21Å; I86-L88 PolarHBondContact O-N 3.39Å; L88-D90 WeakPolarHBondContact CD1-O 3.33Å; L88-I100 HydrophobicContact CD1-CG2 3.46Å; L88-I100 VanDerWaalsContact CD1-CG2 3.46Å
89	L	97.7	Very high	95.8	Very high	41 Å²	41	48.3 Å²	48.3	22%	0.215	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	-42.8	176.6	-60.6	178.6	0	0	0	111.5	L46 V48 R87 I101 E103	L46-L89 HydrophobicContact CD2-CD1 3.82Å; V48-L89 HydrophobicContact CG1-CD1 3.59Å; R87-L89 HydrophobicContact CG-CD2 4.2Å; R87-L89 PolarHBondContact O-N 2.88Å; L89-I101 HydrophobicContact CB-CG2 4.41Å; L89-I101 PolarHBondContact N-O 3.3Å; L89-E103 HydrophobicContact CD1-CB 4.33Å; L89-E103 HydrophobicContact CG-CB 4.49Å
90	D	96.2	Very high	95.7	Very high	49 Å²	49	48.3 Å²	48.3	26%	0.262	22%	0.224	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-163.6	170	-176.1	-156.3	-2.9	0	0	0	110.6	Y22 L88 Y92 I101	Y22-D90 HydrophobicContact CE2-CB 4.4Å; L88-D90 WeakPolarHBondContact CD1-O 3.33Å; D90-Y92 HydrophobicContact CB-CE2 4.09Å; D90-Y92 WeakPolarHBondContact OD2-CE2 3.5Å; D90-Y92 PolarHBondContact OD2-OH 2.87Å; D90-I101 HydrophobicContact CB-CB 4.01Å; D90-I101 HydrophobicContact CB-CG1 4.02Å; D90-I101 PolarHBondContact N-O 3.3Å; D90-I101 WeakPolarHBondContact O-CA 3.38Å; D90-I101 WeakPolarHBondContact O-CB 3.19Å; D90-I101 PolarHBondContact O-N 3.37Å
91	W	95.9	Very high	95.7	Very high	35 Å²	35	43.7 Å²	43.7	13%	0.133	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.8	151.3	171	62.7	-90.3	0	0	0	112	R67 V69 I73 E93 F98 L99	R67-W91 HydrophobicContact CB-CH2 4.24Å; V69-W91 HydrophobicContact CG1-CE3 4.29Å; V69-W91 HydrophobicContact CG1-CH2 3.52Å; V69-W91 HydrophobicContact CG1-CZ2 3.88Å; V69-W91 HydrophobicContact CG1-CZ3 3.78Å; I73-W91 HydrophobicContact CD1-CB 3.98Å; I73-W91 HydrophobicContact CD1-CD2 4.4Å; I73-W91 HydrophobicContact CD1-CG 4.18Å; I73-W91 HydrophobicContact CG2-CB 4.39Å; I73-W91 HydrophobicContact CG2-CD2 4.37Å; I73-W91 HydrophobicContact CG2-CG 3.91Å; W91-E93 HydrophobicContact CZ3-CB 4.17Å; W91-F98 HydrophobicContact CE3-CD1 4.38Å; W91-F98 HydrophobicContact CZ3-CE1 4.42Å; W91-L99 CarbonylContact C-O 3.53Å; W91-L99 WeakPolarHBondContact CA-O 3.41Å; W91-L99 WeakPolarHBondContact CB-O 3.49Å
92	Y	94.8	Very high	95.8	Very high	29 Å²	29	37.7 Å²	37.7	11%	0.114	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	128.7	-178.4	-62.1	-101.6	0	0	0	110.1	T17 L18 Y22 D90 F98 L99 I101	T17-Y92 HydrophobicContact CG2-CE1 4.31Å; L18-Y92 HydrophobicContact CB-CD1 4.25Å; L18-Y92 HydrophobicContact CB-CE1 4.26Å; L18-Y92 HydrophobicContact CD1-CD1 4.35Å; L18-Y92 HydrophobicContact CD1-CD2 3.46Å; L18-Y92 VanDerWaalsContact CD1-CD2 3.46Å; L18-Y92 HydrophobicContact CD1-CE1 4.35Å; L18-Y92 HydrophobicContact CD1-CE2 3.51Å; L18-Y92 HydrophobicContact CD1-CG 3.94Å; Y22-Y92 HydrophobicContact CD2-CE2 4.35Å; Y22-Y92 HydrophobicContact CE2-CE2 4.02Å; D90-Y92 HydrophobicContact CB-CE2 4.09Å; D90-Y92 WeakPolarHBondContact OD2-CE2 3.5Å; D90-Y92 PolarHBondContact OD2-OH 2.87Å; Y92-F98 CarbonylContact O-C 3.57Å; Y92-F98 WeakPolarHBondContact O-CA 3.43Å; Y92-L99 PolarHBondContact N-O 3.29Å; Y92-L99 PolarHBondContact O-N 2.66Å; Y92-I101 HydrophobicContact CD2-CD1 4.33Å; Y92-I101 HydrophobicContact CD2-CG1 4Å; Y92-I101 HydrophobicContact CE2-CD1 4.5Å; Y92-I101 HydrophobicContact CE2-CG1 3.91Å
93	E	93.2	Very high	95.8	Very high	84 Å²	84	39.1 Å²	39.1	39%	0.393	19%	0.185	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	142.7	170.4	-178.5	167.6	-157.8	0	0	110.7	R55 W91 F98	R55-E93 IonicContact CZ-OE1 3.63Å; R55-E93 IonicContact NH1-OE1 2.6Å; R55-E93 IonicContact NH2-OE1 2.73Å; R55-E93 PolarHBondContact NH2-OE1 2.78Å; W91-E93 HydrophobicContact CZ3-CB 4.17Å; E93-F98 HydrophobicContact CB-CD1 4.13Å; E93-F98 HydrophobicContact CB-CE1 3.83Å; E93-F98 HydrophobicContact CG-CD1 4.35Å; E93-F98 HydrophobicContact CG-CE1 3.75Å; E93-F98 HydrophobicContact CG-CZ 3.97Å
94	R	89.6	Confident	95.8	Very high	13 Å²	13	34.8 Å²	34.8	5%	0.049	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	163.6	174.9	-50.3	-178.9	38.1	-139.2	-10.9	109	R10 A11 A14 R55 D96 G97 L99	R10-R94 PolarHBondContact O-NH2 3.37Å; A11-R94 PolarHBondContact O-NE 2.92Å; A11-R94 VanDerWaalsContact O-NE 3.15Å; A11-R94 PolarHBondContact O-NH1 2.82Å; A14-R94 HydrophobicContact CB-CB 3.65Å; A14-R94 HydrophobicContact CB-CG 3.26Å; R55-R94 PolarHBondContact NH2-O 2.84Å; R55-R94 VanDerWaalsContact NH2-O 3.11Å; R94-D96 WeakPolarHBondContact CB-OD1 3.4Å; R94-D96 IonicContact CZ-OD1 2.87Å; R94-D96 IonicContact CZ-OD2 3.89Å; R94-D96 IonicContact NE-OD1 2.72Å; R94-D96 PolarHBondContact NE-OD1 3.33Å; R94-D96 IonicContact NH1-OD1 3.7Å; R94-D96 IonicContact NH1-OD2 3.62Å; R94-D96 IonicContact NH2-OD1 3.23Å; R94-D96 PolarHBondContact NH2-OD1 2.99Å; R94-D96 IonicContact NH2-OD2 2.7Å; R94-D96 PolarHBondContact NH2-OD2 3.4Å; R94-D96 PolarHBondContact O-N 3.27Å; R94-G97 CarbonylContact C-O 3.58Å; R94-G97 WeakPolarHBondContact CA-O 3.48Å; R94-G97 WeakPolarHBondContact CB-O 3.38Å; R94-G97 PolarHBondContact N-O 3.05Å; R94-G97 PolarHBondContact O-N 3.28Å; R94-L99 HydrophobicContact CG-CD1 4.46Å; R94-L99 HydrophobicContact CG-CG 4.47Å
95	N	89.6	Confident	95.7	Very high	165 Å²	165	35.1 Å²	35.1	88%	0.882	17%	0.165	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.8	-40.7	176.5	-66.9	-12	0	0	0	111.6	R55	R55-N95 PolarHBondContact NE-O 2.96Å
96	D	91.3	Very high	95.6	Very high	57 Å²	57	37.5 Å²	37.5	31%	0.305	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.7	-1.8	-175.2	64.8	-39.5	0	0	0	114.3	Y52 N54 R55 R94	Y52-D96 PolarHBondContact OH-O 2.96Å; Y52-D96 PolarHBondContact OH-OD2 2.81Å; N54-D96 PolarHBondContact OD1-O 2.88Å; R55-D96 PolarHBondContact N-O 3.44Å; R94-D96 WeakPolarHBondContact CB-OD1 3.4Å; R94-D96 IonicContact CZ-OD1 2.87Å; R94-D96 IonicContact CZ-OD2 3.89Å; R94-D96 IonicContact NE-OD1 2.72Å; R94-D96 PolarHBondContact NE-OD1 3.33Å; R94-D96 IonicContact NH1-OD1 3.7Å; R94-D96 IonicContact NH1-OD2 3.62Å; R94-D96 IonicContact NH2-OD1 3.23Å; R94-D96 PolarHBondContact NH2-OD1 2.99Å; R94-D96 IonicContact NH2-OD2 2.7Å; R94-D96 PolarHBondContact NH2-OD2 3.4Å; R94-D96 PolarHBondContact O-N 3.27Å
97	G	93.6	Very high	95.5	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	162.9	-156.4	-176.1	0	0	0	0	0	114.9	V53 R94	V53-G97 CarbonylContact O-C 3.57Å; V53-G97 WeakPolarHBondContact O-CA 3.43Å; R94-G97 CarbonylContact C-O 3.58Å; R94-G97 WeakPolarHBondContact CA-O 3.48Å; R94-G97 WeakPolarHBondContact CB-O 3.38Å; R94-G97 PolarHBondContact N-O 3.05Å; R94-G97 PolarHBondContact O-N 3.28Å
98	F	94.6	Very high	95.4	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	147.7	-177.9	-66.6	-99.9	0	0	0	110.5	Y52 V53 I58 W61 V69 P70 I73 W91 Y92 E93	Y52-F98 WeakPolarHBondContact CA-O 3.45Å; V53-F98 PolarHBondContact N-O 2.83Å; V53-F98 PolarHBondContact O-N 2.91Å; I58-F98 HydrophobicContact CD1-CD2 3.55Å; I58-F98 HydrophobicContact CD1-CE2 3.73Å; W61-F98 AromaticContact CH2-CE2 3.65Å; W61-F98 HydrophobicContact CH2-CE2 3.65Å; W61-F98 HydrophobicContact CH2-CZ 4.16Å; W61-F98 AromaticContact CZ3-CE2 3.63Å; W61-F98 HydrophobicContact CZ3-CE2 3.63Å; W61-F98 AromaticContact CZ3-CZ 3.72Å; W61-F98 HydrophobicContact CZ3-CZ 3.72Å; V69-F98 HydrophobicContact CB-CE1 4.46Å; V69-F98 HydrophobicContact CG1-CE1 4.21Å; P70-F98 HydrophobicContact CG-CB 4.05Å; P70-F98 HydrophobicContact CG-CD1 4.19Å; P70-F98 HydrophobicContact CG-CD2 3.71Å; P70-F98 HydrophobicContact CG-CE2 4.24Å; P70-F98 HydrophobicContact CG-CG 3.7Å; I73-F98 HydrophobicContact CD1-CB 4.3Å; I73-F98 HydrophobicContact CD1-CD1 4.11Å; I73-F98 HydrophobicContact CD1-CG 4.44Å; W91-F98 HydrophobicContact CE3-CD1 4.38Å; W91-F98 HydrophobicContact CZ3-CE1 4.42Å; Y92-F98 CarbonylContact O-C 3.57Å; Y92-F98 WeakPolarHBondContact O-CA 3.43Å; E93-F98 HydrophobicContact CB-CD1 4.13Å; E93-F98 HydrophobicContact CB-CE1 3.83Å; E93-F98 HydrophobicContact CG-CD1 4.35Å; E93-F98 HydrophobicContact CG-CE1 3.75Å; E93-F98 HydrophobicContact CG-CZ 3.97Å
99	L	95.2	Very high	95.4	Very high	4 Å²	4	39 Å²	39	2%	0.021	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	125.9	167.4	-63.3	170.4	0	0	0	108.5	L18 I50 K51 Y52 W91 Y92 R94 I101	L18-L99 HydrophobicContact CD1-CD1 4.38Å; L18-L99 HydrophobicContact CD2-CD1 3.34Å; L18-L99 HydrophobicContact CG-CD1 4.45Å; I50-L99 HydrophobicContact CG2-CD2 4.14Å; K51-L99 CarbonylContact O-C 3.52Å; K51-L99 WeakPolarHBondContact O-CA 3.22Å; Y52-L99 HydrophobicContact CD2-CD2 3.94Å; Y52-L99 HydrophobicContact CG-CD2 4.33Å; W91-L99 CarbonylContact C-O 3.53Å; W91-L99 WeakPolarHBondContact CA-O 3.41Å; W91-L99 WeakPolarHBondContact CB-O 3.49Å; Y92-L99 PolarHBondContact N-O 3.29Å; Y92-L99 PolarHBondContact O-N 2.66Å; R94-L99 HydrophobicContact CG-CD1 4.46Å; R94-L99 HydrophobicContact CG-CG 4.47Å; L99-I101 HydrophobicContact CB-CD1 4.44Å
100	I	96.6	Very high	95.3	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	115.2	179.6	-49.3	179.3	0	0	0	107	K51 V53 E72 I73 L76 L88 M102	K51-I100 HydrophobicContact CB-CB 4.3Å; K51-I100 PolarHBondContact N-O 2.99Å; K51-I100 PolarHBondContact O-N 2.85Å; V53-I100 HydrophobicContact CG2-CD1 4.01Å; E72-I100 HydrophobicContact CG-CD1 4.24Å; I73-I100 HydrophobicContact CD1-CD1 4.37Å; I73-I100 HydrophobicContact CD1-CG1 4.01Å; I73-I100 HydrophobicContact CG1-CD1 3.85Å; I73-I100 HydrophobicContact CG1-CG1 3.93Å; L76-I100 HydrophobicContact CD1-CG2 3.97Å; L88-I100 HydrophobicContact CD1-CG2 3.46Å; L88-I100 VanDerWaalsContact CD1-CG2 3.46Å; I100-M102 HydrophobicContact CG2-CG 4.11Å; I100-M102 HydrophobicContact CG2-SD 4.31Å
101	I	97.5	Very high	95.4	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	116.3	-177.4	-43.6	-58.2	0	0	0	108.8	L18 Y22 V48 I50 L89 D90 Y92 L99	L18-I101 HydrophobicContact CD1-CD1 4Å; Y22-I101 HydrophobicContact CD1-CG2 4.03Å; Y22-I101 HydrophobicContact CE1-CG2 3.55Å; Y22-I101 HydrophobicContact CE2-CG1 4.29Å; Y22-I101 HydrophobicContact CE2-CG2 4.24Å; V48-I101 HydrophobicContact CB-CG2 4.11Å; V48-I101 HydrophobicContact CG1-CG2 4.21Å; V48-I101 HydrophobicContact CG2-CG2 4.37Å; I50-I101 HydrophobicContact CB-CD1 4.31Å; I50-I101 HydrophobicContact CG1-CD1 3.97Å; I50-I101 HydrophobicContact CG2-CD1 3.81Å; L89-I101 HydrophobicContact CB-CG2 4.41Å; L89-I101 PolarHBondContact N-O 3.3Å; D90-I101 HydrophobicContact CB-CB 4.01Å; D90-I101 HydrophobicContact CB-CG1 4.02Å; D90-I101 PolarHBondContact N-O 3.3Å; D90-I101 WeakPolarHBondContact O-CA 3.38Å; D90-I101 WeakPolarHBondContact O-CB 3.19Å; D90-I101 PolarHBondContact O-N 3.37Å; Y92-I101 HydrophobicContact CD2-CD1 4.33Å; Y92-I101 HydrophobicContact CD2-CG1 4Å; Y92-I101 HydrophobicContact CE2-CD1 4.5Å; Y92-I101 HydrophobicContact CE2-CG1 3.91Å; L99-I101 HydrophobicContact CB-CD1 4.44Å
102	M	98.4	Very high	95.4	Very high	14 Å²	14	41.1 Å²	41.1	7%	0.069	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	155.3	-176.2	-63	166.9	-71	0	0	110.3	V48 A49 K51 L76 I86 R87 I100	V48-M102 CarbonylContact C-O 3.6Å; V48-M102 VanDerWaalsContact CA-O 3.25Å; V48-M102 WeakPolarHBondContact CA-O 3.36Å; V48-M102 VanDerWaalsContact CB-O 3.31Å; V48-M102 WeakPolarHBondContact CB-O 3.26Å; A49-M102 HydrophobicContact CB-CB 4.46Å; A49-M102 HydrophobicContact CB-CE 4.34Å; A49-M102 PolarHBondContact N-O 2.93Å; A49-M102 PolarHBondContact O-N 2.97Å; K51-M102 HydrophobicContact CB-CE 3.58Å; K51-M102 HydrophobicContact CD-CE 4.42Å; L76-M102 HydrophobicContact CD1-SD 4.3Å; I86-M102 HydrophobicContact CG1-CB 4.06Å; I86-M102 HydrophobicContact CG2-SD 4.06Å; R87-M102 CarbonylContact O-C 3.51Å; R87-M102 VanDerWaalsContact O-CA 3.31Å; R87-M102 WeakPolarHBondContact O-CA 3.43Å; I100-M102 HydrophobicContact CG2-CG 4.11Å; I100-M102 HydrophobicContact CG2-SD 4.31Å
103	E	97.5	Very high	95.5	Very high	44 Å²	44	43.1 Å²	43.1	21%	0.206	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-57.6	155.1	165.4	74.9	-179	148	0	0	110	I86 R87 L89 K165	I86-E103 HydrophobicContact CD1-CG 3.46Å; I86-E103 VanDerWaalsContact CD1-CG 3.46Å; I86-E103 WeakPolarHBondContact CD1-O 3.23Å; I86-E103 HydrophobicContact CG1-CG 3.99Å; R87-E103 HydrophobicContact CB-CB 4.37Å; R87-E103 HydrophobicContact CB-CG 3.96Å; R87-E103 VanDerWaalsContact CB-OE1 3.27Å; R87-E103 WeakPolarHBondContact CB-OE1 3.45Å; R87-E103 PolarHBondContact N-OE1 3.46Å; R87-E103 PolarHBondContact O-N 3.49Å; L89-E103 HydrophobicContact CD1-CB 4.33Å; L89-E103 HydrophobicContact CG-CB 4.49Å; E103-K165 VanDerWaalsContact OE1-CE 3.26Å; E103-K165 WeakPolarHBondContact OE1-CE 3.48Å; E103-K165 IonicContact OE1-NZ 3.31Å; E103-K165 PolarHBondContact OE1-NZ 2.96Å; E103-K165 IonicContact OE2-NZ 2.83Å
104	R	97.6	Very high	95.7	Very high	44 Å²	44	40.2 Å²	40.2	17%	0.166	21%	0.207	C	C	.	.			trans	-136.5	101.2	173.7	-176	172.4	59.6	84	3.1	109.9	G39 P47 V48 A49 T106	G39-R104 PolarHBondContact O-NH2 3.42Å; P47-R104 PolarHBondContact O-N 3.14Å; V48-R104 VanDerWaalsContact C-CB 3.45Å; V48-R104 WeakPolarHBondContact O-CD 3.18Å; V48-R104 PolarHBondContact O-NE 3.33Å; A49-R104 HydrophobicContact CB-CB 4.18Å; A49-R104 HydrophobicContact CB-CG 4.45Å; R104-T106 HydrophobicContact CG-CG2 4.44Å; R104-T106 PolarHBondContact O-N 3.38Å
105	P	97.2	Very high	96.1	Very high	16 Å²	16	42.1 Å²	42.1	10%	0.104	22%	0.218	C	C	.	.			trans	-56.7	137.3	173.5	-21	31.6	0	0	0	110.4	S108 D158 K165	P105-S108 VanDerWaalsContact O-CB 3.27Å; P105-S108 WeakPolarHBondContact O-CB 3.5Å; P105-S108 PolarHBondContact O-OG 3.07Å; P105-D158 HydrophobicContact CB-CB 4.05Å; P105-K165 HydrophobicContact CG-CD 3.87Å
106	T	95.6	Very high	96.5	Very high	51 Å²	51	38.4 Å²	38.4	31%	0.313	20%	0.201	S	C	.	.	S	Bend	trans	-138.7	128.9	178.2	56.8	0	0	0	0	110.7	P47 R104	P47-T106 HydrophobicContact CB-CG2 4.02Å; P47-T106 HydrophobicContact CG-CG2 4.41Å; R104-T106 HydrophobicContact CG-CG2 4.44Å; R104-T106 PolarHBondContact O-N 3.38Å
107	P	96.7	Very high	96.7	Very high	76 Å²	76	41.7 Å²	41.7	49%	0.494	22%	0.215	S	C	.	.	S	Bend	cis	-72	144.8	-7.3	29.1	-32.8	0	0	0	112.7	L159	P107-L159 HydrophobicContact CB-CB 4.36Å; P107-L159 HydrophobicContact CB-CD1 4.31Å; P107-L159 HydrophobicContact CG-CB 4.11Å; P107-L159 PolarHBondContact O-N 2.81Å
108	S	97.2	Very high	96.6	Very high	36 Å²	36	49.1 Å²	49.1	25%	0.252	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	160	174.5	58.5	0	0	0	0	112.1	P105 V157	P105-S108 VanDerWaalsContact O-CB 3.27Å; P105-S108 WeakPolarHBondContact O-CB 3.5Å; P105-S108 PolarHBondContact O-OG 3.07Å; S108-V157 WeakPolarHBondContact CA-O 3.39Å; S108-V157 VanDerWaalsContact CB-O 3.25Å; S108-V157 WeakPolarHBondContact CB-O 3.44Å
109	K	96.6	Very high	96.6	Very high	60 Å²	60	50.2 Å²	50.2	26%	0.261	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140	155.2	168.7	-69.5	-173.7	-177	-164.5	0	108.9	D113 E117 L156 V157 L159	K109-D113 HydrophobicContact CB-CB 4.34Å; K109-D113 HydrophobicContact CD-CB 4.46Å; K109-E117 IonicContact NZ-OE1 3.9Å; K109-E117 PolarHBondContact NZ-OE1 3.25Å; K109-E117 IonicContact NZ-OE2 2.57Å; K109-E117 PolarHBondContact NZ-OE2 3.45Å; K109-L156 CarbonylContact O-C 3.56Å; K109-L156 WeakPolarHBondContact O-CA 3.35Å; K109-V157 PolarHBondContact N-O 3.41Å; K109-V157 PolarHBondContact O-N 2.96Å; K109-L159 HydrophobicContact CD-CD1 4.3Å; K109-L159 HydrophobicContact CG-CD1 4.11Å
110	D	97	Very high	96.6	Very high	40 Å²	40	56.2 Å²	56.2	21%	0.214	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.5	160.3	160.5	60.2	68.2	0	0	0	110.3	Y112 D113 F114 I155 L156	D110-Y112 PolarHBondContact O-N 3.22Å; D110-Y112 WeakPolarHBondContact OD1-CB 3.47Å; D110-Y112 PolarHBondContact OD1-N 3.45Å; D110-D113 PolarHBondContact O-N 2.99Å; D110-D113 WeakPolarHBondContact OD1-CB 3.34Å; D110-D113 PolarHBondContact OD1-N 3.37Å; D110-F114 WeakPolarHBondContact O-CB 3.25Å; D110-F114 PolarHBondContact O-N 2.94Å; D110-I155 CarbonylContact C-O 3.49Å; D110-I155 VanDerWaalsContact CA-O 3.23Å; D110-I155 WeakPolarHBondContact CA-O 3.35Å; D110-L156 HydrophobicContact CB-CD2 4.25Å
111	L	97.7	Very high	96.5	Very high	18 Å²	18	58 Å²	58	9%	0.094	31%	0.307	C	S	.	.	H	α-helix	trans	-68.8	-27.6	-174.4	-178.3	60.8	0	0	0	111	F114 I115 L121 F129 D152 I155 V157	L111-F114 HydrophobicContact CD1-CD1 4.13Å; L111-F114 PolarHBondContact O-N 3.41Å; L111-I115 HydrophobicContact CD1-CD1 3.98Å; L111-I115 HydrophobicContact CD1-CG1 4.08Å; L111-I115 HydrophobicContact CD2-CD1 4.48Å; L111-I115 HydrophobicContact CG-CD1 3.79Å; L111-I115 HydrophobicContact CG-CG1 4.34Å; L111-I115 WeakPolarHBondContact O-CB 3.25Å; L111-I115 WeakPolarHBondContact O-CD1 3.44Å; L111-I115 WeakPolarHBondContact O-CG1 3.31Å; L111-I115 PolarHBondContact O-N 3.45Å; L111-L121 HydrophobicContact CD1-CD1 4.37Å; L111-F129 HydrophobicContact CD1-CD2 3.65Å; L111-F129 HydrophobicContact CD1-CE2 3.71Å; L111-D152 HydrophobicContact CB-CB 4.04Å; L111-D152 WeakPolarHBondContact CB-O 3.4Å; L111-D152 HydrophobicContact CD2-CB 4.26Å; L111-D152 HydrophobicContact CG-CB 4.11Å; L111-D152 PolarHBondContact N-O 3.24Å; L111-I155 HydrophobicContact CB-CB 4.09Å; L111-I155 HydrophobicContact CB-CG2 4.24Å; L111-I155 HydrophobicContact CD2-CB 4.47Å; L111-I155 HydrophobicContact CD2-CD1 4.19Å; L111-I155 HydrophobicContact CD2-CG2 4.33Å; L111-I155 PolarHBondContact N-O 3.25Å; L111-V157 HydrophobicContact CB-CG2 4.21Å; L111-V157 HydrophobicContact CD1-CG2 3.89Å
112	Y	96.7	Very high	96.5	Very high	113 Å²	113	65.3 Å²	65.3	44%	0.443	34%	0.341	S	S	.	.	H	α-helix	trans	-64	-52.2	175.3	175	-89.4	0	0	0	111.1	D110 F114 I115 T116 E153	D110-Y112 PolarHBondContact O-N 3.22Å; D110-Y112 WeakPolarHBondContact OD1-CB 3.47Å; D110-Y112 PolarHBondContact OD1-N 3.45Å; Y112-F114 VanDerWaalsContact C-N 3.31Å; Y112-F114 PolarHBondContact O-N 2.79Å; Y112-I115 PolarHBondContact O-N 2.79Å; Y112-T116 VanDerWaalsContact O-CB 3.31Å; Y112-T116 WeakPolarHBondContact O-CB 3.46Å; Y112-T116 PolarHBondContact O-N 3.21Å; Y112-T116 PolarHBondContact O-OG1 2.93Å; Y112-E153 HydrophobicContact CG-CG 4.3Å
113	D	96.7	Very high	96.5	Very high	70 Å²	70	71.3 Å²	71.3	37%	0.374	37%	0.369	S	S	.	.	H	α-helix	trans	-63	-39.1	175.9	-84.8	-4.3	0	0	0	111.2	K109 D110 I115 T116 E117	K109-D113 HydrophobicContact CB-CB 4.34Å; K109-D113 HydrophobicContact CD-CB 4.46Å; D110-D113 PolarHBondContact O-N 2.99Å; D110-D113 WeakPolarHBondContact OD1-CB 3.34Å; D110-D113 PolarHBondContact OD1-N 3.37Å; D113-I115 PolarHBondContact O-N 3.2Å; D113-T116 PolarHBondContact O-N 3.45Å; D113-E117 WeakPolarHBondContact O-CG 3.45Å; D113-E117 PolarHBondContact O-N 3.02Å
114	F	97.5	Very high	96.5	Very high	23 Å²	23	76.4 Å²	76.4	10%	0.101	39%	0.393	C	S	.	.	H	α-helix	trans	-59.6	-47.2	176.1	-177.4	-94.2	0	0	0	112.1	D110 L111 Y112 K118 L121 L125 F129 V157 L159	D110-F114 WeakPolarHBondContact O-CB 3.25Å; D110-F114 PolarHBondContact O-N 2.94Å; L111-F114 HydrophobicContact CD1-CD1 4.13Å; L111-F114 PolarHBondContact O-N 3.41Å; Y112-F114 VanDerWaalsContact C-N 3.31Å; Y112-F114 PolarHBondContact O-N 2.79Å; F114-K118 HydrophobicContact CE1-CG 4.24Å; F114-K118 HydrophobicContact CE2-CG 4.32Å; F114-K118 HydrophobicContact CZ-CG 4.14Å; F114-K118 VanDerWaalsContact O-CB 3.25Å; F114-K118 WeakPolarHBondContact O-CB 3.31Å; F114-K118 VanDerWaalsContact O-CG 3.31Å; F114-K118 WeakPolarHBondContact O-CG 3.35Å; F114-K118 PolarHBondContact O-N 2.8Å; F114-K118 VanDerWaalsContact O-N 3.07Å; F114-L121 HydrophobicContact CD1-CD2 3.94Å; F114-L121 HydrophobicContact CE1-CD2 3.6Å; F114-L125 HydrophobicContact CE1-CD2 4.13Å; F114-L125 HydrophobicContact CZ-CD2 4.3Å; F114-F129 HydrophobicContact CD1-CE2 4.06Å; F114-F129 AromaticContact CE1-CE2 3.72Å; F114-F129 HydrophobicContact CE1-CE2 3.72Å; F114-F129 HydrophobicContact CE1-CZ 4.14Å; F114-F129 HydrophobicContact CZ-CE2 4.35Å; F114-F129 HydrophobicContact CZ-CZ 4.32Å; F114-V157 HydrophobicContact CB-CG2 4.23Å; F114-V157 HydrophobicContact CD2-CG1 4.43Å; F114-V157 HydrophobicContact CE2-CG1 4.47Å; F114-V157 HydrophobicContact CG-CG2 4.27Å; F114-L159 HydrophobicContact CD2-CD2 3.59Å; F114-L159 HydrophobicContact CE2-CD2 3.79Å
115	I	97.3	Very high	96.5	Very high	53 Å²	53	77.2 Å²	77.2	27%	0.272	40%	0.4	S	S	.	.	H	α-helix	trans	-69.8	-41.5	178.4	-68	167.8	0	0	0	110.7	L111 Y112 D113 E117 K118 G119 L121	L111-I115 HydrophobicContact CD1-CD1 3.98Å; L111-I115 HydrophobicContact CD1-CG1 4.08Å; L111-I115 HydrophobicContact CD2-CD1 4.48Å; L111-I115 HydrophobicContact CG-CD1 3.79Å; L111-I115 HydrophobicContact CG-CG1 4.34Å; L111-I115 WeakPolarHBondContact O-CB 3.25Å; L111-I115 WeakPolarHBondContact O-CD1 3.44Å; L111-I115 WeakPolarHBondContact O-CG1 3.31Å; L111-I115 PolarHBondContact O-N 3.45Å; Y112-I115 PolarHBondContact O-N 2.79Å; D113-I115 PolarHBondContact O-N 3.2Å; I115-E117 VanDerWaalsContact C-N 3.25Å; I115-E117 PolarHBondContact O-N 2.92Å; I115-K118 PolarHBondContact O-N 2.6Å; I115-G119 CarbonylContact O-C 3.54Å; I115-G119 VanDerWaalsContact O-CA 3.29Å; I115-G119 WeakPolarHBondContact O-CA 3.33Å; I115-G119 PolarHBondContact O-N 3.44Å; I115-L121 HydrophobicContact CD1-CD1 4.3Å; I115-L121 HydrophobicContact CG1-CD1 4.06Å; I115-L121 HydrophobicContact CG1-CD2 4.04Å; I115-L121 HydrophobicContact CG1-CG 3.95Å
116	T	97.2	Very high	96.5	Very high	88 Å²	88	78.1 Å²	78.1	54%	0.54	41%	0.409	S	S	.	.	H	α-helix	trans	-58.2	-40	-179.9	-63.8	0	0	0	0	111.5	Y112 D113	Y112-T116 VanDerWaalsContact O-CB 3.31Å; Y112-T116 WeakPolarHBondContact O-CB 3.46Å; Y112-T116 PolarHBondContact O-N 3.21Å; Y112-T116 PolarHBondContact O-OG1 2.93Å; D113-T116 PolarHBondContact O-N 3.45Å
117	E	95.8	Very high	96.6	Very high	126 Å²	126	82.9 Å²	82.9	59%	0.589	42%	0.421	S	S	*	.	H	α-helix	trans	-82.4	-37.3	179.5	-69.6	179.2	-169.7	0	0	114.4	K109 D113 I115	K109-E117 IonicContact NZ-OE1 3.9Å; K109-E117 PolarHBondContact NZ-OE1 3.25Å; K109-E117 IonicContact NZ-OE2 2.57Å; K109-E117 PolarHBondContact NZ-OE2 3.45Å; D113-E117 WeakPolarHBondContact O-CG 3.45Å; D113-E117 PolarHBondContact O-N 3.02Å; I115-E117 VanDerWaalsContact C-N 3.25Å; I115-E117 PolarHBondContact O-N 2.92Å
118	K	93.1	Very high	96.7	Very high	155 Å²	155	82.6 Å²	82.6	67%	0.674	41%	0.413	S	S	*	.	H	α-helix	trans	-79.7	-25.6	-178.7	-75.3	-80.1	-176	172.1	0	112.8	F114 I115	F114-K118 HydrophobicContact CE1-CG 4.24Å; F114-K118 HydrophobicContact CE2-CG 4.32Å; F114-K118 HydrophobicContact CZ-CG 4.14Å; F114-K118 VanDerWaalsContact O-CB 3.25Å; F114-K118 WeakPolarHBondContact O-CB 3.31Å; F114-K118 VanDerWaalsContact O-CG 3.31Å; F114-K118 WeakPolarHBondContact O-CG 3.35Å; F114-K118 PolarHBondContact O-N 2.8Å; F114-K118 VanDerWaalsContact O-N 3.07Å; I115-K118 PolarHBondContact O-N 2.6Å
119	G	94.5	Very high	96.8	Very high	24 Å²	24	81.3 Å²	81.3	25%	0.247	40%	0.403	C	S	.	.			trans	81.5	-172	-160.4	0	0	0	0	0	112.1	I115 L121	I115-G119 CarbonylContact O-C 3.54Å; I115-G119 VanDerWaalsContact O-CA 3.29Å; I115-G119 WeakPolarHBondContact O-CA 3.33Å; I115-G119 PolarHBondContact O-N 3.44Å; G119-L121 PolarHBondContact O-N 3.16Å
120	P	94	Very high	96.8	Very high	129 Å²	129	85.3 Å²	85.3	84%	0.838	42%	0.421	S	S	*	.	S	Bend	trans	-52.7	136	178.4	-25.4	34.5	0	0	0	111.9
121	L	95.4	Very high	96.9	Very high	37 Å²	37	89.8 Å²	89.8	19%	0.194	44%	0.435	C	S	.	.	P	Polyproline II helix	trans	-73.3	140.2	178	-53.9	-174.3	0	0	0	110.2	L111 F114 I115 G119 L125 A126 F129	L111-L121 HydrophobicContact CD1-CD1 4.37Å; F114-L121 HydrophobicContact CD1-CD2 3.94Å; F114-L121 HydrophobicContact CE1-CD2 3.6Å; I115-L121 HydrophobicContact CD1-CD1 4.3Å; I115-L121 HydrophobicContact CG1-CD1 4.06Å; I115-L121 HydrophobicContact CG1-CD2 4.04Å; I115-L121 HydrophobicContact CG1-CG 3.95Å; G119-L121 PolarHBondContact O-N 3.16Å; L121-L125 HydrophobicContact CD2-CD2 4.09Å; L121-A126 HydrophobicContact CB-CB 4.19Å; L121-F129 HydrophobicContact CD1-CD2 3.74Å; L121-F129 HydrophobicContact CD1-CE2 4.08Å
122	E	97.2	Very high	97	Very high	154 Å²	154	89.6 Å²	89.6	72%	0.72	43%	0.434	S	S	*	.	P	Polyproline II helix	trans	-61	146.4	167.4	-64.8	176.7	-175.6	0	0	110.5	E124 L125 A126	E122-E124 PolarHBondContact O-N 3.13Å; E122-E124 VanDerWaalsContact O-N 3.08Å; E122-L125 PolarHBondContact O-N 2.64Å; E122-A126 PolarHBondContact O-N 3.2Å
123	E	98	Very high	97.1	Very high	141 Å²	141	85.2 Å²	85.2	66%	0.659	42%	0.418	S	S	*	.	H	α-helix	trans	-51.5	-36.1	-177	-73.7	-65.9	152.7	0	0	113.6	R127	E123-R127 WeakPolarHBondContact O-CB 3.44Å; E123-R127 PolarHBondContact O-N 2.89Å; E123-R127 PolarHBondContact O-NH1 3.39Å; E123-R127 VanDerWaalsContact O-NH1 3.17Å
124	E	97.9	Very high	97.1	Very high	150 Å²	150	84.6 Å²	84.6	70%	0.701	42%	0.417	S	S	*	.	H	α-helix	trans	-65.5	-47.4	177.2	-171.8	174	176	0	0	112.3	E122 R127 H128	E122-E124 PolarHBondContact O-N 3.13Å; E122-E124 VanDerWaalsContact O-N 3.08Å; E124-R127 PolarHBondContact O-N 2.92Å; E124-H128 WeakPolarHBondContact O-CB 3.44Å; E124-H128 PolarHBondContact O-N 3.04Å
125	L	96.9	Very high	97.2	Very high	61 Å²	61	88.5 Å²	88.5	32%	0.319	44%	0.436	S	S	.	.	H	α-helix	trans	-68.6	-43	178.5	-177.3	59	0	0	0	111.3	F114 L121 E122 R127 H128 F129	F114-L125 HydrophobicContact CE1-CD2 4.13Å; F114-L125 HydrophobicContact CZ-CD2 4.3Å; L121-L125 HydrophobicContact CD2-CD2 4.09Å; E122-L125 PolarHBondContact O-N 2.64Å; L125-R127 VanDerWaalsContact C-N 3.35Å; L125-R127 PolarHBondContact O-N 3.24Å; L125-H128 WeakPolarHBondContact O-CB 3.45Å; L125-H128 PolarHBondContact O-N 3.28Å; L125-F129 HydrophobicContact CD1-CD1 4.02Å; L125-F129 HydrophobicContact CD1-CE1 3.63Å; L125-F129 HydrophobicContact CD1-CE2 4.21Å; L125-F129 HydrophobicContact CD1-CG 4.48Å; L125-F129 HydrophobicContact CD1-CZ 3.73Å; L125-F129 HydrophobicContact CG-CD2 4.47Å; L125-F129 HydrophobicContact CG-CE1 4.49Å; L125-F129 HydrophobicContact CG-CE2 4.25Å; L125-F129 HydrophobicContact CG-CZ 4.26Å; L125-F129 WeakPolarHBondContact O-CB 3.36Å; L125-F129 PolarHBondContact O-N 2.98Å
126	A	97.7	Very high	97.3	Very high	36 Å²	36	86.5 Å²	86.5	30%	0.298	43%	0.426	S	S	.	.	H	α-helix	trans	-58.1	-46.5	175.5	0	0	0	0	0	111.3	L121 E122 H128 F129 F130	L121-A126 HydrophobicContact CB-CB 4.19Å; E122-A126 PolarHBondContact O-N 3.2Å; A126-H128 VanDerWaalsContact C-N 3.34Å; A126-H128 PolarHBondContact O-N 3.35Å; A126-F129 PolarHBondContact O-N 3.34Å; A126-F130 VanDerWaalsContact O-CB 3.26Å; A126-F130 WeakPolarHBondContact O-CB 3.47Å; A126-F130 PolarHBondContact O-N 2.85Å
127	R	98.2	Very high	97.3	Very high	150 Å²	150	85 Å²	85	57%	0.566	42%	0.417	S	S	*	.	H	α-helix	trans	-60.7	-42.9	174.8	-177.1	-176	-59.4	91.7	11	111.9	E123 E124 L125 R131	E123-R127 WeakPolarHBondContact O-CB 3.44Å; E123-R127 PolarHBondContact O-N 2.89Å; E123-R127 PolarHBondContact O-NH1 3.39Å; E123-R127 VanDerWaalsContact O-NH1 3.17Å; E124-R127 PolarHBondContact O-N 2.92Å; L125-R127 VanDerWaalsContact C-N 3.35Å; L125-R127 PolarHBondContact O-N 3.24Å; R127-R131 WeakPolarHBondContact O-CB 3.34Å; R127-R131 PolarHBondContact O-N 2.86Å
128	H	98	Very high	97.4	Very high	71 Å²	71	83.7 Å²	83.7	33%	0.329	41%	0.413	S	S	.	.	H	α-helix	trans	-62.6	-45.8	178.9	-176.2	77.4	0	0	0	111.9	E124 L125 A126 R131 Q132	E124-H128 WeakPolarHBondContact O-CB 3.44Å; E124-H128 PolarHBondContact O-N 3.04Å; L125-H128 WeakPolarHBondContact O-CB 3.45Å; L125-H128 PolarHBondContact O-N 3.28Å; A126-H128 VanDerWaalsContact C-N 3.34Å; A126-H128 PolarHBondContact O-N 3.35Å; H128-R131 PolarHBondContact CE1-NH2 3.23Å; H128-R131 PolarHBondContact ND1-NH2 3.01Å; H128-Q132 PolarHBondContact CD2-NE2 2.87Å; H128-Q132 PolarHBondContact NE2-NE2 3.4Å; H128-Q132 WeakPolarHBondContact O-CG 3.43Å; H128-Q132 PolarHBondContact O-N 3.23Å
129	F	98.4	Very high	97.7	Very high	9 Å²	9	77.9 Å²	77.9	4%	0.039	39%	0.394	C	S	.	.	H	α-helix	trans	-65.8	-48.2	176.5	-79.6	3.1	0	0	0	112.2	L111 F114 L121 L125 A126 R131 Q132 V133 V157 L164	L111-F129 HydrophobicContact CD1-CD2 3.65Å; L111-F129 HydrophobicContact CD1-CE2 3.71Å; F114-F129 HydrophobicContact CD1-CE2 4.06Å; F114-F129 AromaticContact CE1-CE2 3.72Å; F114-F129 HydrophobicContact CE1-CE2 3.72Å; F114-F129 HydrophobicContact CE1-CZ 4.14Å; F114-F129 HydrophobicContact CZ-CE2 4.35Å; F114-F129 HydrophobicContact CZ-CZ 4.32Å; L121-F129 HydrophobicContact CD1-CD2 3.74Å; L121-F129 HydrophobicContact CD1-CE2 4.08Å; L125-F129 HydrophobicContact CD1-CD1 4.02Å; L125-F129 HydrophobicContact CD1-CE1 3.63Å; L125-F129 HydrophobicContact CD1-CE2 4.21Å; L125-F129 HydrophobicContact CD1-CG 4.48Å; L125-F129 HydrophobicContact CD1-CZ 3.73Å; L125-F129 HydrophobicContact CG-CD2 4.47Å; L125-F129 HydrophobicContact CG-CE1 4.49Å; L125-F129 HydrophobicContact CG-CE2 4.25Å; L125-F129 HydrophobicContact CG-CZ 4.26Å; L125-F129 WeakPolarHBondContact O-CB 3.36Å; L125-F129 PolarHBondContact O-N 2.98Å; A126-F129 PolarHBondContact O-N 3.34Å; F129-R131 VanDerWaalsContact C-N 3.28Å; F129-R131 PolarHBondContact O-N 3.02Å; F129-Q132 WeakPolarHBondContact O-CB 3.31Å; F129-Q132 PolarHBondContact O-N 2.84Å; F129-Q132 VanDerWaalsContact O-N 3.07Å; F129-V133 PolarHBondContact O-N 3.31Å; F129-V157 HydrophobicContact CE1-CG1 4.41Å; F129-V157 HydrophobicContact CE2-CG1 4.37Å; F129-V157 HydrophobicContact CE2-CG2 4.28Å; F129-V157 HydrophobicContact CZ-CG1 3.73Å; F129-V157 HydrophobicContact CZ-CG2 4.43Å; F129-L164 HydrophobicContact CB-CD1 3.74Å; F129-L164 HydrophobicContact CD1-CD1 4.1Å; F129-L164 HydrophobicContact CD1-CD2 4.01Å; F129-L164 HydrophobicContact CD1-CG 4.11Å; F129-L164 HydrophobicContact CD2-CD2 4.38Å; F129-L164 HydrophobicContact CE1-CD2 4.04Å; F129-L164 HydrophobicContact CE2-CD2 4.4Å; F129-L164 HydrophobicContact CG-CD1 3.9Å; F129-L164 HydrophobicContact CG-CD2 4.2Å; F129-L164 HydrophobicContact CG-CG 4.36Å; F129-L164 HydrophobicContact CZ-CD2 4.24Å; F129-L164 WeakPolarHBondContact O-CD1 3.47Å
130	F	98.4	Very high	97.8	Very high	143 Å²	143	77 Å²	77	63%	0.627	38%	0.383	S	S	*	.	H	α-helix	trans	-58.4	-41.9	178.9	-171.6	-101.5	0	0	0	111.8	A126 Q132 V133 V134	A126-F130 VanDerWaalsContact O-CB 3.26Å; A126-F130 WeakPolarHBondContact O-CB 3.47Å; A126-F130 PolarHBondContact O-N 2.85Å; F130-Q132 PolarHBondContact O-N 2.78Å; F130-V133 PolarHBondContact O-N 2.91Å; F130-V134 HydrophobicContact CD1-CG2 4.01Å; F130-V134 HydrophobicContact CE1-CG2 3.64Å; F130-V134 HydrophobicContact CZ-CG2 3.92Å; F130-V134 WeakPolarHBondContact O-CG2 3.39Å; F130-V134 PolarHBondContact O-N 2.84Å
131	R	98.6	Very high	98	Very high	134 Å²	134	72.8 Å²	72.8	51%	0.506	36%	0.36	S	S	.	.	H	α-helix	trans	-57	-47.9	174	-177.1	-175	64.3	168	1.7	111.9	R127 H128 F129 V133 V134 E135	R127-R131 WeakPolarHBondContact O-CB 3.34Å; R127-R131 PolarHBondContact O-N 2.86Å; H128-R131 PolarHBondContact CE1-NH2 3.23Å; H128-R131 PolarHBondContact ND1-NH2 3.01Å; F129-R131 VanDerWaalsContact C-N 3.28Å; F129-R131 PolarHBondContact O-N 3.02Å; R131-V133 VanDerWaalsContact C-N 3.32Å; R131-V133 PolarHBondContact O-N 2.81Å; R131-V134 PolarHBondContact O-N 3.4Å; R131-E135 WeakPolarHBondContact CD-OE1 3.27Å; R131-E135 HydrophobicContact CG-CG 4.34Å; R131-E135 WeakPolarHBondContact CG-OE1 3.4Å; R131-E135 IonicContact NE-OE1 3.84Å; R131-E135 WeakPolarHBondContact O-CB 3.4Å; R131-E135 VanDerWaalsContact O-CG 3.32Å; R131-E135 WeakPolarHBondContact O-CG 3.23Å; R131-E135 PolarHBondContact O-N 2.93Å
132	Q	98.7	Very high	98	Very high	15 Å²	15	75.8 Å²	75.8	7%	0.07	38%	0.384	C	S	.	.	H	α-helix	trans	-61.5	-39.6	178.8	-70.5	-173.7	61.8	0	0	112.2	H128 F129 F130 S136 G162 L164	H128-Q132 PolarHBondContact CD2-NE2 2.87Å; H128-Q132 PolarHBondContact NE2-NE2 3.4Å; H128-Q132 WeakPolarHBondContact O-CG 3.43Å; H128-Q132 PolarHBondContact O-N 3.23Å; F129-Q132 WeakPolarHBondContact O-CB 3.31Å; F129-Q132 PolarHBondContact O-N 2.84Å; F129-Q132 VanDerWaalsContact O-N 3.07Å; F130-Q132 PolarHBondContact O-N 2.78Å; Q132-S136 WeakPolarHBondContact O-CB 3.29Å; Q132-S136 PolarHBondContact O-N 2.89Å; Q132-S136 PolarHBondContact O-OG 2.79Å; Q132-G162 PolarHBondContact NE2-O 3.09Å; Q132-L164 HydrophobicContact CB-CB 4.26Å; Q132-L164 HydrophobicContact CB-CD1 4.11Å; Q132-L164 HydrophobicContact CB-CG 4.26Å
133	V	98.7	Very high	97.9	Very high	20 Å²	20	69.5 Å²	69.5	12%	0.121	36%	0.358	C	S	.	.	H	α-helix	trans	-61.7	-50.2	175.2	176.8	0	0	0	0	110.2	F129 F130 R131 E135 S136 V137 I150 I155 L164	F129-V133 PolarHBondContact O-N 3.31Å; F130-V133 PolarHBondContact O-N 2.91Å; R131-V133 VanDerWaalsContact C-N 3.32Å; R131-V133 PolarHBondContact O-N 2.81Å; V133-E135 PolarHBondContact O-N 3.39Å; V133-S136 WeakPolarHBondContact O-CB 3.2Å; V133-S136 PolarHBondContact O-N 3.3Å; V133-S136 VanDerWaalsContact O-N 3.15Å; V133-V137 HydrophobicContact CG1-CG2 4.37Å; V133-V137 VanDerWaalsContact O-CG2 3.32Å; V133-V137 WeakPolarHBondContact O-CG2 3.26Å; V133-V137 PolarHBondContact O-N 3.49Å; V133-I150 HydrophobicContact CG1-CG2 4.08Å; V133-I155 HydrophobicContact CG2-CD1 3.85Å; V133-L164 HydrophobicContact CG2-CD1 3.76Å
134	V	98.6	Very high	97.8	Very high	58 Å²	58	64 Å²	64	35%	0.352	34%	0.34	S	S	.	.	H	α-helix	trans	-59.9	-45.8	179.5	172.3	0	0	0	0	111.7	F130 R131 S136 V137 I138	F130-V134 HydrophobicContact CD1-CG2 4.01Å; F130-V134 HydrophobicContact CE1-CG2 3.64Å; F130-V134 HydrophobicContact CZ-CG2 3.92Å; F130-V134 WeakPolarHBondContact O-CG2 3.39Å; F130-V134 PolarHBondContact O-N 2.84Å; R131-V134 PolarHBondContact O-N 3.4Å; V134-S136 VanDerWaalsContact C-N 3.28Å; V134-S136 PolarHBondContact O-N 3.32Å; V134-V137 PolarHBondContact O-N 3.44Å; V134-I138 HydrophobicContact CG1-CD1 3.77Å; V134-I138 HydrophobicContact CG1-CG1 4.4Å; V134-I138 WeakPolarHBondContact O-CG1 3.4Å; V134-I138 PolarHBondContact O-N 2.98Å
135	E	98.7	Very high	97.8	Very high	105 Å²	105	57 Å²	57	49%	0.491	31%	0.307	S	S	.	.	H	α-helix	trans	-58.2	-41.5	176.1	-73.8	170.4	177.3	0	0	111.7	R131 V133 I138 A139	R131-E135 WeakPolarHBondContact CD-OE1 3.27Å; R131-E135 HydrophobicContact CG-CG 4.34Å; R131-E135 WeakPolarHBondContact CG-OE1 3.4Å; R131-E135 IonicContact NE-OE1 3.84Å; R131-E135 WeakPolarHBondContact O-CB 3.4Å; R131-E135 VanDerWaalsContact O-CG 3.32Å; R131-E135 WeakPolarHBondContact O-CG 3.23Å; R131-E135 PolarHBondContact O-N 2.93Å; V133-E135 PolarHBondContact O-N 3.39Å; E135-I138 PolarHBondContact O-N 3.39Å; E135-A139 WeakPolarHBondContact O-CB 3.31Å; E135-A139 PolarHBondContact O-N 2.75Å
136	S	98.5	Very high	97.8	Very high	10 Å²	10	55.2 Å²	55.2	7%	0.07	30%	0.299	C	S	.	.	H	α-helix	trans	-66.4	-41.4	177.6	-54.6	0	0	0	0	112	G84 Q132 V133 V134 A139 C140	G84-S136 WeakPolarHBondContact CA-OG 3.45Å; Q132-S136 WeakPolarHBondContact O-CB 3.29Å; Q132-S136 PolarHBondContact O-N 2.89Å; Q132-S136 PolarHBondContact O-OG 2.79Å; V133-S136 WeakPolarHBondContact O-CB 3.2Å; V133-S136 PolarHBondContact O-N 3.3Å; V133-S136 VanDerWaalsContact O-N 3.15Å; V134-S136 VanDerWaalsContact C-N 3.28Å; V134-S136 PolarHBondContact O-N 3.32Å; S136-A139 PolarHBondContact O-N 2.72Å; S136-C140 PolarHBondContact O-N 2.57Å; S136-C140 PolarHBondContact O-SG 3.19Å; S136-C140 VanDerWaalsContact O-SG 3.39Å
137	V	98.1	Very high	97.7	Very high	56 Å²	56	53.9 Å²	53.9	34%	0.339	29%	0.286	S	S	.	.	H	α-helix	trans	-65.3	-43.4	177.2	173.1	0	0	0	0	111.5	V133 V134 A139 C140 A141 I150 L166	V133-V137 HydrophobicContact CG1-CG2 4.37Å; V133-V137 VanDerWaalsContact O-CG2 3.32Å; V133-V137 WeakPolarHBondContact O-CG2 3.26Å; V133-V137 PolarHBondContact O-N 3.49Å; V134-V137 PolarHBondContact O-N 3.44Å; V137-A139 VanDerWaalsContact C-N 3.31Å; V137-A139 PolarHBondContact O-N 3.06Å; V137-C140 PolarHBondContact O-N 3.46Å; V137-A141 WeakPolarHBondContact O-CB 3.25Å; V137-A141 PolarHBondContact O-N 3.3Å; V137-I150 HydrophobicContact CG2-CD1 3.27Å; V137-L166 HydrophobicContact CG2-CD1 4.46Å
138	I	98.2	Very high	97.5	Very high	100 Å²	100	50.9 Å²	50.9	51%	0.513	28%	0.275	S	S	.	.	H	α-helix	trans	-60.8	-43.7	175.9	-69.9	167.7	0	0	0	110.3	V134 E135 A141 S142	V134-I138 HydrophobicContact CG1-CD1 3.77Å; V134-I138 HydrophobicContact CG1-CG1 4.4Å; V134-I138 WeakPolarHBondContact O-CG1 3.4Å; V134-I138 PolarHBondContact O-N 2.98Å; E135-I138 PolarHBondContact O-N 3.39Å; I138-A141 PolarHBondContact O-N 2.64Å; I138-S142 WeakPolarHBondContact O-CB 3.15Å; I138-S142 PolarHBondContact O-N 3.39Å; I138-S142 PolarHBondContact O-OG 3.32Å
139	A	98.4	Very high	97.3	Very high	33 Å²	33	48.8 Å²	48.8	27%	0.273	27%	0.266	S	S	.	.	H	α-helix	trans	-63.4	-41.6	177	0	0	0	0	0	112	I82 E135 S136 V137 S142 A143	I82-A139 HydrophobicContact CD1-CB 4.05Å; I82-A139 HydrophobicContact CG1-CB 4.19Å; I82-A139 HydrophobicContact CG2-CB 3.6Å; E135-A139 WeakPolarHBondContact O-CB 3.31Å; E135-A139 PolarHBondContact O-N 2.75Å; S136-A139 PolarHBondContact O-N 2.72Å; V137-A139 VanDerWaalsContact C-N 3.31Å; V137-A139 PolarHBondContact O-N 3.06Å; A139-S142 PolarHBondContact O-N 2.88Å; A139-A143 PolarHBondContact O-N 2.88Å
140	C	98.3	Very high	97.2	Very high	4 Å²	4	51.8 Å²	51.8	3%	0.027	28%	0.282	C	S	.	.	H	α-helix	trans	-60.8	-47.7	173.4	-74.2	0	0	0	0	111.7	V85 S136 V137 S142 A143 G144 I145	V85-C140 VanDerWaalsContact CG2-SG 3.59Å; S136-C140 PolarHBondContact O-N 2.57Å; S136-C140 PolarHBondContact O-SG 3.19Å; S136-C140 VanDerWaalsContact O-SG 3.39Å; V137-C140 PolarHBondContact O-N 3.46Å; C140-S142 VanDerWaalsContact C-N 3.3Å; C140-S142 PolarHBondContact O-N 3.4Å; C140-A143 CarbonylContact O-C 3.56Å; C140-A143 WeakPolarHBondContact O-CA 3.25Å; C140-A143 WeakPolarHBondContact O-CB 3.27Å; C140-A143 PolarHBondContact O-N 3.07Å; C140-G144 PolarHBondContact O-N 3.33Å; C140-I145 CarbonylContact C-O 3.6Å; C140-I145 HydrophobicContact CB-CB 4.43Å; C140-I145 PolarHBondContact O-N 3.04Å
141	A	96.7	Very high	97.1	Very high	41 Å²	41	47.5 Å²	47.5	34%	0.339	26%	0.263	S	S	.	.	H	α-helix	trans	-60.7	-41.5	178.6	0	0	0	0	0	111.5	V137 I138 A143 G144 I145	V137-A141 WeakPolarHBondContact O-CB 3.25Å; V137-A141 PolarHBondContact O-N 3.3Å; I138-A141 PolarHBondContact O-N 2.64Å; A141-A143 PolarHBondContact O-N 2.9Å; A141-G144 WeakPolarHBondContact O-CA 3.45Å; A141-G144 PolarHBondContact O-N 3.46Å; A141-I145 PolarHBondContact N-O 3.34Å
142	S	95.9	Very high	97	Very high	101 Å²	101	43.9 Å²	43.9	71%	0.706	25%	0.254	S	S	*	.	H	α-helix	trans	-64.2	-28.1	175.9	-56.8	0	0	0	0	112.5	I138 A139 C140 G144	I138-S142 WeakPolarHBondContact O-CB 3.15Å; I138-S142 PolarHBondContact O-N 3.39Å; I138-S142 PolarHBondContact O-OG 3.32Å; A139-S142 PolarHBondContact O-N 2.88Å; C140-S142 VanDerWaalsContact C-N 3.3Å; C140-S142 PolarHBondContact O-N 3.4Å; S142-G144 VanDerWaalsContact C-N 3.26Å
143	A	95.9	Very high	96.8	Very high	22 Å²	22	47.9 Å²	47.9	18%	0.182	27%	0.272	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.2	4	172.3	0	0	0	0	0	113.5	I82 A139 C140 A141 I145	I82-A143 HydrophobicContact CD1-CB 4.2Å; A139-A143 PolarHBondContact O-N 2.88Å; C140-A143 CarbonylContact O-C 3.56Å; C140-A143 WeakPolarHBondContact O-CA 3.25Å; C140-A143 WeakPolarHBondContact O-CB 3.27Å; C140-A143 PolarHBondContact O-N 3.07Å; A141-A143 PolarHBondContact O-N 2.9Å; A143-I145 HydrophobicContact CB-CG1 4.41Å
144	G	95.8	Very high	96.7	Very high	26 Å²	26	47.4 Å²	47.4	27%	0.268	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	75.8	28.8	-178.6	0	0	0	0	0	113.7	C140 A141 S142 F174 L175	C140-G144 PolarHBondContact O-N 3.33Å; A141-G144 WeakPolarHBondContact O-CA 3.45Å; A141-G144 PolarHBondContact O-N 3.46Å; S142-G144 VanDerWaalsContact C-N 3.26Å; G144-F174 CarbonylContact O-C 3.47Å; G144-F174 WeakPolarHBondContact O-CA 3.43Å; G144-L175 PolarHBondContact O-N 2.99Å
145	I	97.1	Very high	96.7	Very high	1 Å²	1	45 Å²	45	1%	0.005	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	137.4	-173.3	-55.4	-68.6	0	0	0	110.8	L75 Q78 T79 C140 A141 A143 F169 F174	L75-I145 HydrophobicContact CB-CG2 4.39Å; L75-I145 HydrophobicContact CD2-CD1 3.45Å; L75-I145 VanDerWaalsContact CD2-CD1 3.45Å; L75-I145 HydrophobicContact CD2-CG2 4.28Å; Q78-I145 HydrophobicContact CB-CD1 4.14Å; Q78-I145 HydrophobicContact CB-CG1 4.35Å; Q78-I145 HydrophobicContact CG-CD1 4.01Å; Q78-I145 HydrophobicContact CG-CG1 4Å; T79-I145 HydrophobicContact CG2-CB 4.12Å; T79-I145 HydrophobicContact CG2-CG1 3.94Å; T79-I145 HydrophobicContact CG2-CG2 4.02Å; C140-I145 CarbonylContact C-O 3.6Å; C140-I145 HydrophobicContact CB-CB 4.43Å; C140-I145 PolarHBondContact O-N 3.04Å; A141-I145 PolarHBondContact N-O 3.34Å; A143-I145 HydrophobicContact CB-CG1 4.41Å; I145-F169 HydrophobicContact CG2-CD1 4.13Å; I145-F169 HydrophobicContact CG2-CE1 3.85Å; I145-F174 HydrophobicContact CD1-CD1 3.6Å; I145-F174 HydrophobicContact CD1-CE1 3.67Å
146	V	96.5	Very high	96.7	Very high	25 Å²	25	41.4 Å²	41.4	15%	0.152	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	135.9	169.8	-61.3	0	0	0	0	110.2	R148 G172 G173 L175 F180	V146-R148 HydrophobicContact CB-CG 4.27Å; V146-R148 HydrophobicContact CG2-CG 3.76Å; V146-G172 CarbonylContact O-C 3.42Å; V146-G172 WeakPolarHBondContact O-CA 3.36Å; V146-G173 WeakPolarHBondContact CG2-O 3.18Å; V146-G173 PolarHBondContact N-O 2.99Å; V146-G173 PolarHBondContact O-N 2.97Å; V146-L175 HydrophobicContact CG1-CB 4.28Å; V146-L175 HydrophobicContact CG1-CD1 3.36Å; V146-L175 HydrophobicContact CG1-CG 4.43Å; V146-F180 HydrophobicContact CG1-CZ 3.96Å; V146-F180 HydrophobicContact CG2-CE1 4.08Å; V146-F180 HydrophobicContact CG2-CZ 4.14Å
147	H	95.3	Very high	96.6	Very high	8 Å²	8	41 Å²	41	4%	0.037	24%	0.235	C	C	.	.			trans	-79.3	-39.9	179.7	-166.4	-77.8	0	0	0	112.8	D149 I150 I167 D168 F169 S171 G172	H147-D149 PolarHBondContact CE1-O 3.04Å; H147-D149 VanDerWaalsContact CE1-O 3.3Å; H147-D149 VanDerWaalsContact ND1-C 3.34Å; H147-D149 PolarHBondContact ND1-N 2.91Å; H147-D149 PolarHBondContact ND1-O 2.91Å; H147-D149 PolarHBondContact O-N 3.22Å; H147-I150 HydrophobicContact CB-CD1 4.06Å; H147-I150 HydrophobicContact CB-CG1 3.75Å; H147-I167 PolarHBondContact CE1-O 3.31Å; H147-I167 VanDerWaalsContact CE1-O 3.29Å; H147-I167 PolarHBondContact NE2-O 2.99Å; H147-D168 PolarHBondContact CE1-O 2.89Å; H147-D168 PolarHBondContact NE2-O 2.83Å; H147-F169 AromaticContact CD2-CD2 3.7Å; H147-F169 AromaticContact CD2-CE1 3.83Å; H147-F169 AromaticContact CD2-CE2 3.43Å; H147-F169 VanDerWaalsContact CD2-CE2 3.43Å; H147-F169 WeakPolarHBondContact CD2-CE2 3.36Å; H147-F169 AromaticContact CD2-CZ 3.52Å; H147-F169 AromaticContact NE2-CD2 3.69Å; H147-F169 AromaticContact NE2-CE2 3.7Å; H147-S171 CarbonylContact O-C 3.58Å; H147-G172 WeakPolarHBondContact O-CA 3.38Å; H147-G172 PolarHBondContact O-N 2.96Å
148	R	94.4	Very high	96.6	Very high	86 Å²	86	39.3 Å²	39.3	33%	0.325	22%	0.224	S	C	.	.	S	Bend	trans	62.3	-15.4	-177.5	-55.7	-166.3	-71.1	165.8	1.3	117.6	V146 S171 G172 E182	V146-R148 HydrophobicContact CB-CG 4.27Å; V146-R148 HydrophobicContact CG2-CG 3.76Å; R148-S171 WeakPolarHBondContact CB-O 3.32Å; R148-S171 PolarHBondContact NE-O 3.5Å; R148-S171 PolarHBondContact NH2-O 3.26Å; R148-G172 PolarHBondContact NH2-O 3.17Å; R148-E182 IonicContact NH1-OE2 3.02Å
149	D	94	Very high	96.6	Very high	27 Å²	27	37.9 Å²	37.9	14%	0.144	22%	0.217	C	C	.	.			trans	-128.2	57.3	176.7	-167.2	25.6	0	0	0	112.8	H147 N154	H147-D149 PolarHBondContact CE1-O 3.04Å; H147-D149 VanDerWaalsContact CE1-O 3.3Å; H147-D149 VanDerWaalsContact ND1-C 3.34Å; H147-D149 PolarHBondContact ND1-N 2.91Å; H147-D149 PolarHBondContact ND1-O 2.91Å; H147-D149 PolarHBondContact O-N 3.22Å; D149-N154 VanDerWaalsContact CG-ND2 3.34Å; D149-N154 PolarHBondContact O-ND2 3.02Å; D149-N154 PolarHBondContact OD2-ND2 2.93Å
150	I	96.5	Very high	96.5	Very high	73 Å²	73	45.1 Å²	45.1	37%	0.374	24%	0.238	S	C	.	.			trans	-86.2	115.1	178.6	-56.9	178.4	0	0	0	109.2	V133 V137 H147 I155	V133-I150 HydrophobicContact CG1-CG2 4.08Å; V137-I150 HydrophobicContact CG2-CD1 3.27Å; H147-I150 HydrophobicContact CB-CD1 4.06Å; H147-I150 HydrophobicContact CB-CG1 3.75Å; I150-I155 HydrophobicContact CG2-CD1 4.34Å
151	K	95.8	Very high	96.4	Very high	52 Å²	52	48.1 Å²	48.1	23%	0.226	26%	0.256	C	S	.	.	S	Bend	trans	-154	165.9	177.8	53.8	179.8	-179.5	158.5	0	108.8	E153 N154 I155	K151-E153 VanDerWaalsContact C-N 3.3Å; K151-E153 HydrophobicContact CD-CB 4.36Å; K151-E153 WeakPolarHBondContact CD-OE2 3.35Å; K151-E153 WeakPolarHBondContact CE-OE2 3.49Å; K151-E153 HydrophobicContact CG-CB 4.35Å; K151-E153 IonicContact NZ-OE2 3.7Å; K151-E153 PolarHBondContact NZ-OE2 3.42Å; K151-E153 PolarHBondContact O-N 3.44Å; K151-N154 WeakPolarHBondContact CE-ND2 3.43Å; K151-N154 HydrophobicContact CG-CB 4.16Å; K151-N154 PolarHBondContact O-N 3.15Å; K151-I155 WeakPolarHBondContact O-CD1 3.24Å; K151-I155 WeakPolarHBondContact O-CG1 3.46Å
152	D	96.1	Very high	96.3	Very high	58 Å²	58	47.2 Å²	47.2	31%	0.31	25%	0.251	S	S	.	.	G	3₁₀ helix	trans	-56.7	-38.3	-179.4	51.5	-3.2	0	0	0	113.7	L111 N154 I155	L111-D152 HydrophobicContact CB-CB 4.04Å; L111-D152 WeakPolarHBondContact CB-O 3.4Å; L111-D152 HydrophobicContact CD2-CB 4.26Å; L111-D152 HydrophobicContact CG-CB 4.11Å; L111-D152 PolarHBondContact N-O 3.24Å; D152-N154 PolarHBondContact O-N 2.69Å; D152-I155 PolarHBondContact O-N 3.03Å
153	E	95.3	Very high	96.4	Very high	99 Å²	99	47.5 Å²	47.5	46%	0.463	24%	0.237	S	C	.	.	G	3₁₀ helix	trans	-59.3	-28.1	173.4	-63	173.9	98.5	0	0	113.4	Y112 K151	Y112-E153 HydrophobicContact CG-CG 4.3Å; K151-E153 VanDerWaalsContact C-N 3.3Å; K151-E153 HydrophobicContact CD-CB 4.36Å; K151-E153 WeakPolarHBondContact CD-OE2 3.35Å; K151-E153 WeakPolarHBondContact CE-OE2 3.49Å; K151-E153 HydrophobicContact CG-CB 4.35Å; K151-E153 IonicContact NZ-OE2 3.7Å; K151-E153 PolarHBondContact NZ-OE2 3.42Å; K151-E153 PolarHBondContact O-N 3.44Å
154	N	96.6	Very high	96.5	Very high	10 Å²	10	46.8 Å²	46.8	5%	0.053	23%	0.23	C	C	.	.	G	3₁₀ helix	trans	-100.5	21	-177.4	-72.1	-14	0	0	0	112.9	D149 K151 D152 I167	D149-N154 VanDerWaalsContact CG-ND2 3.34Å; D149-N154 PolarHBondContact O-ND2 3.02Å; D149-N154 PolarHBondContact OD2-ND2 2.93Å; K151-N154 WeakPolarHBondContact CE-ND2 3.43Å; K151-N154 HydrophobicContact CG-CB 4.16Å; K151-N154 PolarHBondContact O-N 3.15Å; D152-N154 PolarHBondContact O-N 2.69Å; N154-I167 HydrophobicContact CB-CG1 4.36Å; N154-I167 VanDerWaalsContact O-CG1 3.26Å; N154-I167 WeakPolarHBondContact O-CG1 3.38Å; N154-I167 PolarHBondContact O-N 3.27Å
155	I	98.3	Very high	96.7	Very high	8 Å²	8	47.1 Å²	47.1	4%	0.041	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	115	178.7	-62.3	165.2	0	0	0	109	D110 L111 V133 I150 K151 D152 L164 L166	D110-I155 CarbonylContact C-O 3.49Å; D110-I155 VanDerWaalsContact CA-O 3.23Å; D110-I155 WeakPolarHBondContact CA-O 3.35Å; L111-I155 HydrophobicContact CB-CB 4.09Å; L111-I155 HydrophobicContact CB-CG2 4.24Å; L111-I155 HydrophobicContact CD2-CB 4.47Å; L111-I155 HydrophobicContact CD2-CD1 4.19Å; L111-I155 HydrophobicContact CD2-CG2 4.33Å; L111-I155 PolarHBondContact N-O 3.25Å; V133-I155 HydrophobicContact CG2-CD1 3.85Å; I150-I155 HydrophobicContact CG2-CD1 4.34Å; K151-I155 WeakPolarHBondContact O-CD1 3.24Å; K151-I155 WeakPolarHBondContact O-CG1 3.46Å; D152-I155 PolarHBondContact O-N 3.03Å; I155-L164 HydrophobicContact CG2-CB 4.07Å; I155-L164 HydrophobicContact CG2-CD1 4.01Å; I155-L164 HydrophobicContact CG2-CD2 4.09Å; I155-L164 HydrophobicContact CG2-CG 4.29Å; I155-L166 HydrophobicContact CG1-CD2 3.91Å
156	L	98.2	Very high	96.8	Very high	30 Å²	30	47.2 Å²	47.2	16%	0.157	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	134.7	172.6	-71.4	179.7	0	0	0	111.7	I86 K109 D110 L164 K165 I167	I86-L156 HydrophobicContact CD1-CD1 4.27Å; K109-L156 CarbonylContact O-C 3.56Å; K109-L156 WeakPolarHBondContact O-CA 3.35Å; D110-L156 HydrophobicContact CB-CD2 4.25Å; L156-L164 CarbonylContact O-C 3.49Å; L156-L164 VanDerWaalsContact O-CA 3.24Å; L156-L164 WeakPolarHBondContact O-CA 3.48Å; L156-K165 PolarHBondContact N-O 3.27Å; L156-K165 PolarHBondContact O-N 2.91Å; L156-I167 HydrophobicContact CD1-CG2 3.61Å; L156-I167 HydrophobicContact CD2-CD1 4.39Å; L156-I167 HydrophobicContact CG-CD1 4.11Å; L156-I167 HydrophobicContact CG-CG1 4.44Å; L156-I167 HydrophobicContact CG-CG2 3.76Å
157	V	98.3	Very high	96.8	Very high	1 Å²	1	47.8 Å²	47.8	1%	0.006	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	118	169.4	-168.2	0	0	0	0	109.1	S108 K109 L111 F114 F129 L159 L164	S108-V157 WeakPolarHBondContact CA-O 3.39Å; S108-V157 VanDerWaalsContact CB-O 3.25Å; S108-V157 WeakPolarHBondContact CB-O 3.44Å; K109-V157 PolarHBondContact N-O 3.41Å; K109-V157 PolarHBondContact O-N 2.96Å; L111-V157 HydrophobicContact CB-CG2 4.21Å; L111-V157 HydrophobicContact CD1-CG2 3.89Å; F114-V157 HydrophobicContact CB-CG2 4.23Å; F114-V157 HydrophobicContact CD2-CG1 4.43Å; F114-V157 HydrophobicContact CE2-CG1 4.47Å; F114-V157 HydrophobicContact CG-CG2 4.27Å; F129-V157 HydrophobicContact CE1-CG1 4.41Å; F129-V157 HydrophobicContact CE2-CG1 4.37Å; F129-V157 HydrophobicContact CE2-CG2 4.28Å; F129-V157 HydrophobicContact CZ-CG1 3.73Å; F129-V157 HydrophobicContact CZ-CG2 4.43Å; V157-L159 HydrophobicContact CB-CD2 4.36Å; V157-L159 HydrophobicContact CG1-CD2 4.19Å; V157-L159 PolarHBondContact O-N 2.93Å; V157-L164 HydrophobicContact CB-CD2 4.09Å; V157-L164 HydrophobicContact CG1-CD2 4.1Å; V157-L164 HydrophobicContact CG2-CD2 3.65Å
158	D	97.8	Very high	96.7	Very high	21 Å²	21	48.4 Å²	48.4	11%	0.112	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	110.8	165	177.9	-54.9	0	0	0	108.7	P105 R160 T161 G162 Y163	P105-D158 HydrophobicContact CB-CB 4.05Å; D158-R160 PolarHBondContact O-N 3.39Å; D158-R160 WeakPolarHBondContact OD1-CA 3.39Å; D158-R160 WeakPolarHBondContact OD1-CB 3.33Å; D158-R160 PolarHBondContact OD1-N 3.27Å; D158-T161 WeakPolarHBondContact CB-OG1 3.26Å; D158-T161 PolarHBondContact O-N 2.89Å; D158-T161 PolarHBondContact OD1-N 3.2Å; D158-T161 PolarHBondContact OD1-OG1 2.94Å; D158-G162 WeakPolarHBondContact O-CA 3.32Å; D158-G162 PolarHBondContact O-N 3.4Å; D158-Y163 PolarHBondContact N-O 2.78Å
159	L	97.1	Very high	96.7	Very high	70 Å²	70	44.3 Å²	44.3	37%	0.366	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.5	-11.5	-171.8	-58.7	-176.7	0	0	0	113.7	P107 K109 F114 V157	P107-L159 HydrophobicContact CB-CB 4.36Å; P107-L159 HydrophobicContact CB-CD1 4.31Å; P107-L159 HydrophobicContact CG-CB 4.11Å; P107-L159 PolarHBondContact O-N 2.81Å; K109-L159 HydrophobicContact CD-CD1 4.3Å; K109-L159 HydrophobicContact CG-CD1 4.11Å; F114-L159 HydrophobicContact CD2-CD2 3.59Å; F114-L159 HydrophobicContact CE2-CD2 3.79Å; V157-L159 HydrophobicContact CB-CD2 4.36Å; V157-L159 HydrophobicContact CG1-CD2 4.19Å; V157-L159 PolarHBondContact O-N 2.93Å
160	R	96	Very high	96.5	Very high	184 Å²	184	44.5 Å²	44.5	69%	0.694	22%	0.223	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87.8	-32.2	176.1	178.1	174.1	56.5	-162	-6.4	111.5	D158	D158-R160 PolarHBondContact O-N 3.39Å; D158-R160 WeakPolarHBondContact OD1-CA 3.39Å; D158-R160 WeakPolarHBondContact OD1-CB 3.33Å; D158-R160 PolarHBondContact OD1-N 3.27Å
161	T	96.2	Very high	96.2	Very high	68 Å²	68	41.9 Å²	41.9	42%	0.417	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	-116.1	-18.2	-170.7	61.7	0	0	0	0	114.2	D158 Y163	D158-T161 WeakPolarHBondContact CB-OG1 3.26Å; D158-T161 PolarHBondContact O-N 2.89Å; D158-T161 PolarHBondContact OD1-N 3.2Å; D158-T161 PolarHBondContact OD1-OG1 2.94Å; T161-Y163 HydrophobicContact CG2-CD2 4.38Å; T161-Y163 PolarHBondContact O-N 2.77Å; T161-Y163 WeakPolarHBondContact OG1-CD2 3.47Å; T161-Y163 PolarHBondContact OG1-N 2.93Å
162	G	95.6	Very high	96.1	Very high	22 Å²	22	39.5 Å²	39.5	23%	0.227	20%	0.201	C	C	.	.			trans	72.4	9.5	-172.7	0	0	0	0	0	114	Q132 D158	Q132-G162 PolarHBondContact NE2-O 3.09Å; D158-G162 WeakPolarHBondContact O-CA 3.32Å; D158-G162 PolarHBondContact O-N 3.4Å
163	Y	98.2	Very high	96	Very high	107 Å²	107	37.1 Å²	37.1	42%	0.42	19%	0.19	S	C	.	.			trans	-78.6	137.5	177.2	-74.7	-59.4	0	0	0	111.9	K83 D158 T161	K83-Y163 PolarHBondContact NZ-OH 3.37Å; D158-Y163 PolarHBondContact N-O 2.78Å; T161-Y163 HydrophobicContact CG2-CD2 4.38Å; T161-Y163 PolarHBondContact O-N 2.77Å; T161-Y163 WeakPolarHBondContact OG1-CD2 3.47Å; T161-Y163 PolarHBondContact OG1-N 2.93Å
164	L	98.6	Very high	95.8	Very high	6 Å²	6	37.2 Å²	37.2	3%	0.031	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	147.5	176.5	-57.8	-171.9	0	0	0	111.9	F129 Q132 V133 I155 L156 V157	F129-L164 HydrophobicContact CB-CD1 3.74Å; F129-L164 HydrophobicContact CD1-CD1 4.1Å; F129-L164 HydrophobicContact CD1-CD2 4.01Å; F129-L164 HydrophobicContact CD1-CG 4.11Å; F129-L164 HydrophobicContact CD2-CD2 4.38Å; F129-L164 HydrophobicContact CE1-CD2 4.04Å; F129-L164 HydrophobicContact CE2-CD2 4.4Å; F129-L164 HydrophobicContact CG-CD1 3.9Å; F129-L164 HydrophobicContact CG-CD2 4.2Å; F129-L164 HydrophobicContact CG-CG 4.36Å; F129-L164 HydrophobicContact CZ-CD2 4.24Å; F129-L164 WeakPolarHBondContact O-CD1 3.47Å; Q132-L164 HydrophobicContact CB-CB 4.26Å; Q132-L164 HydrophobicContact CB-CD1 4.11Å; Q132-L164 HydrophobicContact CB-CG 4.26Å; V133-L164 HydrophobicContact CG2-CD1 3.76Å; I155-L164 HydrophobicContact CG2-CB 4.07Å; I155-L164 HydrophobicContact CG2-CD1 4.01Å; I155-L164 HydrophobicContact CG2-CD2 4.09Å; I155-L164 HydrophobicContact CG2-CG 4.29Å; L156-L164 CarbonylContact O-C 3.49Å; L156-L164 VanDerWaalsContact O-CA 3.24Å; L156-L164 WeakPolarHBondContact O-CA 3.48Å; V157-L164 HydrophobicContact CB-CD2 4.09Å; V157-L164 HydrophobicContact CG1-CD2 4.1Å; V157-L164 HydrophobicContact CG2-CD2 3.65Å
165	K	98.7	Very high	95.3	Very high	33 Å²	33	40.4 Å²	40.4	14%	0.143	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137	123.7	171.2	-71.1	179.4	173.9	-76.9	0	110.8	K83 G84 I86 E103 P105 L156	K83-K165 PolarHBondContact O-NZ 2.93Å; G84-K165 CarbonylContact O-C 3.47Å; G84-K165 WeakPolarHBondContact O-CA 3.5Å; I86-K165 HydrophobicContact CD1-CB 4.5Å; I86-K165 HydrophobicContact CD1-CD 3.94Å; E103-K165 VanDerWaalsContact OE1-CE 3.26Å; E103-K165 WeakPolarHBondContact OE1-CE 3.48Å; E103-K165 IonicContact OE1-NZ 3.31Å; E103-K165 PolarHBondContact OE1-NZ 2.96Å; E103-K165 IonicContact OE2-NZ 2.83Å; P105-K165 HydrophobicContact CG-CD 3.87Å; L156-K165 PolarHBondContact N-O 3.27Å; L156-K165 PolarHBondContact O-N 2.91Å
166	L	98.6	Very high	94.3	Very high	4 Å²	4	46.9 Å²	46.9	2%	0.021	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.1	134.1	168.2	-59.3	-176.9	0	0	0	109.8	G84 V85 I86 V137 I155 F169	G84-L166 PolarHBondContact O-N 3.44Å; V85-L166 HydrophobicContact CG2-CB 4.44Å; I86-L166 WeakPolarHBondContact CB-O 3.34Å; I86-L166 PolarHBondContact N-O 3.07Å; V137-L166 HydrophobicContact CG2-CD1 4.46Å; I155-L166 HydrophobicContact CG1-CD2 3.91Å; L166-F169 HydrophobicContact CB-CE2 4.25Å
167	I	97.1	Very high	92.8	Very high	37 Å²	37	54 Å²	54	19%	0.19	27%	0.272	C	S	.	.			trans	-125.5	165.5	175.2	56.6	160.6	0	0	0	109.9	I86 H147 N154 L156	I86-I167 HydrophobicContact CB-CG2 3.77Å; I86-I167 HydrophobicContact CD1-CG2 4.4Å; I86-I167 HydrophobicContact CG1-CG2 4.14Å; I86-I167 HydrophobicContact CG2-CB 4.4Å; I86-I167 HydrophobicContact CG2-CG2 3.9Å; H147-I167 PolarHBondContact CE1-O 3.31Å; H147-I167 VanDerWaalsContact CE1-O 3.29Å; H147-I167 PolarHBondContact NE2-O 2.99Å; N154-I167 HydrophobicContact CB-CG1 4.36Å; N154-I167 VanDerWaalsContact O-CG1 3.26Å; N154-I167 WeakPolarHBondContact O-CG1 3.38Å; N154-I167 PolarHBondContact O-N 3.27Å; L156-I167 HydrophobicContact CD1-CG2 3.61Å; L156-I167 HydrophobicContact CD2-CD1 4.39Å; L156-I167 HydrophobicContact CG-CD1 4.11Å; L156-I167 HydrophobicContact CG-CG1 4.44Å; L156-I167 HydrophobicContact CG-CG2 3.76Å
168	D	93.6	Very high	91.1	Very high	21 Å²	21	57.6 Å²	57.6	11%	0.112	30%	0.297	C	S	.	.			trans	64.3	77.1	174.6	-152.4	-12.6	0	0	0	116	F33 K51 H147 G170	F33-D168 VanDerWaalsContact CB-OD2 3.27Å; F33-D168 WeakPolarHBondContact CB-OD2 3.16Å; F33-D168 VanDerWaalsContact CD1-OD2 3.31Å; F33-D168 WeakPolarHBondContact CD1-OD2 3.37Å; F33-D168 WeakPolarHBondContact CD2-OD2 3.47Å; F33-D168 WeakPolarHBondContact CG-OD2 3.46Å; K51-D168 IonicContact NZ-OD1 3.33Å; K51-D168 PolarHBondContact NZ-OD1 3.38Å; K51-D168 IonicContact NZ-OD2 3.25Å; H147-D168 PolarHBondContact CE1-O 2.89Å; H147-D168 PolarHBondContact NE2-O 2.83Å; D168-G170 PolarHBondContact O-N 3.45Å; D168-G170 PolarHBondContact OD1-N 2.89Å
169	F	94.6	Very high	89.4	Confident	0 Å²	0	62.9 Å²	62.9	0%	0	33%	0.33	C	S	.	.	G	3₁₀ helix	trans	-87.4	18.4	174	-78	-113.1	0	0	0	112.1	E72 L75 L76 T79 V85 I145 H147 L166 S171 G172	E72-F169 HydrophobicContact CG-CB 4.16Å; L75-F169 HydrophobicContact CB-CB 4.28Å; L75-F169 HydrophobicContact CB-CD1 3.98Å; L75-F169 HydrophobicContact CD1-CB 4.33Å; L75-F169 HydrophobicContact CD1-CD1 4.4Å; L76-F169 HydrophobicContact CD2-CB 4.35Å; L76-F169 HydrophobicContact CD2-CD2 3.64Å; L76-F169 HydrophobicContact CD2-CE2 4.17Å; L76-F169 HydrophobicContact CD2-CG 4.1Å; L76-F169 HydrophobicContact CG-CB 4.3Å; L76-F169 HydrophobicContact CG-CD2 4.47Å; L76-F169 HydrophobicContact CG-CG 4.5Å; T79-F169 HydrophobicContact CG2-CE1 4.14Å; T79-F169 HydrophobicContact CG2-CZ 4.48Å; V85-F169 HydrophobicContact CB-CZ 4.48Å; V85-F169 HydrophobicContact CG1-CE2 3.54Å; V85-F169 HydrophobicContact CG1-CZ 3.67Å; V85-F169 HydrophobicContact CG2-CE2 4.44Å; V85-F169 HydrophobicContact CG2-CZ 3.93Å; I145-F169 HydrophobicContact CG2-CD1 4.13Å; I145-F169 HydrophobicContact CG2-CE1 3.85Å; H147-F169 AromaticContact CD2-CD2 3.7Å; H147-F169 AromaticContact CD2-CE1 3.83Å; H147-F169 AromaticContact CD2-CE2 3.43Å; H147-F169 VanDerWaalsContact CD2-CE2 3.43Å; H147-F169 WeakPolarHBondContact CD2-CE2 3.36Å; H147-F169 AromaticContact CD2-CZ 3.52Å; H147-F169 AromaticContact NE2-CD2 3.69Å; H147-F169 AromaticContact NE2-CE2 3.7Å; L166-F169 HydrophobicContact CB-CE2 4.25Å; F169-S171 PolarHBondContact O-N 3.47Å; F169-G172 PolarHBondContact O-N 3.46Å
170	G	89.8	Confident	87.5	Confident	30 Å²	30	64.4 Å²	64.4	31%	0.309	33%	0.334	S	S	.	.	G	3₁₀ helix	trans	-58.1	-35.8	-179.7	0	0	0	0	0	113.1	D168	D168-G170 PolarHBondContact O-N 3.45Å; D168-G170 PolarHBondContact OD1-N 2.89Å
171	S	90	Very high	85.9	Confident	19 Å²	19	62 Å²	62	13%	0.133	34%	0.339	C	S	.	.	G	3₁₀ helix	trans	-93	4.9	174.5	-54.7	0	0	0	0	112.9	H147 R148 F169	H147-S171 CarbonylContact O-C 3.58Å; R148-S171 WeakPolarHBondContact CB-O 3.32Å; R148-S171 PolarHBondContact NE-O 3.5Å; R148-S171 PolarHBondContact NH2-O 3.26Å; F169-S171 PolarHBondContact O-N 3.47Å
172	G	92.7	Very high	84.1	Confident	1 Å²	1	65.1 Å²	65.1	1%	0.01	35%	0.349	C	S	.	.			trans	-70.3	177.7	-176.2	0	0	0	0	0	113.6	L75 V146 H147 R148 F169	L75-G172 VanDerWaalsContact CD1-CA 3.46Å; V146-G172 CarbonylContact O-C 3.42Å; V146-G172 WeakPolarHBondContact O-CA 3.36Å; H147-G172 WeakPolarHBondContact O-CA 3.38Å; H147-G172 PolarHBondContact O-N 2.96Å; R148-G172 PolarHBondContact NH2-O 3.17Å; F169-G172 PolarHBondContact O-N 3.46Å
173	G	94.4	Very high	82.4	Confident	9 Å²	9	72.9 Å²	72.9	9%	0.093	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-164.4	171.2	174	0	0	0	0	0	112.6	V146	V146-G173 WeakPolarHBondContact CG2-O 3.18Å; V146-G173 PolarHBondContact N-O 2.99Å; V146-G173 PolarHBondContact O-N 2.97Å
174	F	92.3	Very high	80.6	Confident	100 Å²	100	73.2 Å²	73.2	44%	0.439	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75	139.2	167.4	-65.5	-72.9	0	0	0	109.9	L71 C74 L75 G144 I145 K176	L71-F174 HydrophobicContact CD1-CD2 4.16Å; L71-F174 HydrophobicContact CD1-CE2 3.61Å; L71-F174 HydrophobicContact CD1-CZ 4.39Å; C74-F174 HydrophobicContact CB-CZ 4.47Å; L75-F174 HydrophobicContact CD2-CD1 4.3Å; L75-F174 HydrophobicContact CD2-CD2 4.48Å; L75-F174 HydrophobicContact CD2-CE1 4.13Å; L75-F174 HydrophobicContact CD2-CE2 4.32Å; L75-F174 HydrophobicContact CD2-CG 4.48Å; L75-F174 HydrophobicContact CD2-CZ 4.14Å; G144-F174 CarbonylContact O-C 3.47Å; G144-F174 WeakPolarHBondContact O-CA 3.43Å; I145-F174 HydrophobicContact CD1-CD1 3.6Å; I145-F174 HydrophobicContact CD1-CE1 3.67Å; F174-K176 PolarHBondContact O-N 3.24Å
175	L	85.9	Confident	78.2	Confident	78 Å²	78	74.6 Å²	74.6	41%	0.408	40%	0.399	S	S	.	.			trans	-61.1	127.9	170.9	-167.2	74.7	0	0	0	108.1	G144 V146 F180	G144-L175 PolarHBondContact O-N 2.99Å; V146-L175 HydrophobicContact CG1-CB 4.28Å; V146-L175 HydrophobicContact CG1-CD1 3.36Å; V146-L175 HydrophobicContact CG1-CG 4.43Å; L175-F180 HydrophobicContact CD1-CE2 3.89Å; L175-F180 HydrophobicContact CD1-CZ 3.93Å
176	K	77.6	Confident	75.6	Confident	144 Å²	144	81.8 Å²	81.8	63%	0.626	43%	0.425	S	S	*	.			trans	-108.9	143.7	173.7	-64.3	178	-178.6	174.9	0	107.7	F174 S178	F174-K176 PolarHBondContact O-N 3.24Å; K176-S178 PolarHBondContact O-N 3.28Å
177	D	66	Low	73	Confident	180 Å²	180	93.3 Å²	93.3	96%	0.963	47%	0.468	S	S	*	.	S	Bend	trans	-69.4	-8.1	173.4	-65.5	-35.8	0	0	0	112.7
178	S	62.9	Low	70.8	Confident	75 Å²	75	99.9 Å²	99.9	52%	0.524	53%	0.528	S	S	.	.	S	Bend	trans	-86.6	151.4	175.1	65.8	0	0	0	0	112.1	K176 F180	K176-S178 PolarHBondContact O-N 3.28Å; S178-F180 PolarHBondContact O-N 3.17Å
179	V	61.4	Low	69.7	Low	132 Å²	132	103.8 Å²	103.8	80%	0.8	55%	0.548	S	S	*	.	P	Polyproline II helix	trans	-52	128.7	172.5	-174.7	0	0	0	0	110.3	T181	V179-T181 PolarHBondContact O-N 3.08Å
180	F	57	Low	68.4	Low	103 Å²	103	109.3 Å²	109.3	45%	0.452	58%	0.577	S	S	.	*	P	Polyproline II helix	trans	-69.8	122	173.5	-73.3	-86.9	0	0	0	109.9	V146 L175 S178	V146-F180 HydrophobicContact CG1-CZ 3.96Å; V146-F180 HydrophobicContact CG2-CE1 4.08Å; V146-F180 HydrophobicContact CG2-CZ 4.14Å; L175-F180 HydrophobicContact CD1-CE2 3.89Å; L175-F180 HydrophobicContact CD1-CZ 3.93Å; S178-F180 PolarHBondContact O-N 3.17Å
181	T	62.4	Low	67.2	Low	132 Å²	132	113.7 Å²	113.7	81%	0.81	59%	0.592	S	S	*	*			trans	-104.4	-3.9	179.2	54.2	0	0	0	0	114	V179	V179-T181 PolarHBondContact O-N 3.08Å
182	E	59	Low	65.8	Low	134 Å²	134	119.2 Å²	119.2	63%	0.626	62%	0.619	S	S	*	*			trans	-113.4	128.1	-175.8	-70.6	173.9	-178.2	0	0	111.2	R148	R148-E182 IonicContact NH1-OE2 3.02Å
183	F	59.2	Low	64.1	Low	186 Å²	186	126.6 Å²	126.6	82%	0.816	66%	0.657	S	S	*	*			trans	-115.8	118.9	175.7	-178	-95.2	0	0	0	109.4
184	E	59.8	Low	62.1	Low	114 Å²	114	134.5 Å²	134.5	53%	0.533	70%	0.695	S	S	.	*			trans	-105.2	16.5	-174.8	-76.9	-96.8	167.9	0	0	112.9	R186	E184-R186 PolarHBondContact O-N 3.39Å
185	G	49.9	Very low	60	Low	35 Å²	35	136.9 Å²	136.9	36%	0.361	71%	0.713	S	S	.	*	P	Polyproline II helix	trans	-66.3	128.3	176.6	0	0	0	0	0	111.8	R187	G185-R187 PolarHBondContact O-N 2.97Å
186	R	43.5	Very low	58	Low	183 Å²	183	141.5 Å²	141.5	69%	0.691	74%	0.737	S	S	*	*	P	Polyproline II helix	trans	-68.9	126.8	165.5	-102.4	-178	-111.9	170.4	-0.3	108.7	F33 E184 A188	F33-R186 VanDerWaalsContact CE2-NH2 3.28Å; E184-R186 PolarHBondContact O-N 3.39Å; R186-A188 PolarHBondContact O-N 3.46Å
187	R	43.8	Very low	56.3	Low	246 Å²	246	141.3 Å²	141.3	93%	0.928	75%	0.746	S	S	*	*	P	Polyproline II helix	trans	-65.8	127.9	164	-69.9	-176.9	178	-175.3	-0.9	107.6	G185	G185-R187 PolarHBondContact O-N 2.97Å
188	A	51.1	Low	55.5	Low	175 Å²	175	137.7 Å²	137.7	100%	1.446	73%	0.726	S	S	*	*			trans	-62.1	0	165.8	0	0	0	0	0	110.4	R186	R186-A188 PolarHBondContact O-N 3.46Å

Retrieved 188 of 188 residues in 72.8 ms (Link to these results)

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