X6R8I9_HUMAN Loading...

Tumor necrosis factor ligand superfamily member 15

AlphaFold DB , UniProt , Accession X6R8I9, Species HUMAN (Homo sapiens, Human), Gene TNFSF15, Length 174 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	45.3	Very low	37.5	Very low	247 Å²	247	174.6 Å²	174.6	100%	1.217	83%	0.833	S	S	*	*				0	45.4	0	-150.6	-175.2	-73.7	0	0	111.7
2	R	40.1	Very low	37.4	Very low	238 Å²	238	168.7 Å²	168.7	90%	0.898	82%	0.82	S	S	*	*			trans	-132	13.6	179.5	-75.9	-170	-176.4	-160.4	2	113.4
3	H	38.8	Very low	37.6	Very low	191 Å²	191	169 Å²	169	88%	0.884	82%	0.822	S	S	*	*	S	Bend	trans	-102.2	2.8	-179.2	-87.6	-53.5	0	0	0	114.5
4	F	36	Very low	37.8	Very low	202 Å²	202	173.7 Å²	173.7	89%	0.886	83%	0.827	S	S	*	*	S	Bend	trans	-103.1	-4.8	-175	-136.2	-96.2	0	0	0	114.9
5	L	35.3	Very low	38	Very low	150 Å²	150	172.5 Å²	172.5	79%	0.785	82%	0.816	S	S	*	*	S	Bend	trans	-102.9	2.8	-175.9	-71	169.7	0	0	0	114.7
6	S	32.5	Very low	37.8	Very low	100 Å²	100	169.6 Å²	169.6	70%	0.699	81%	0.807	S	S	*	*	S	Bend	trans	-93.8	-3.2	-177.8	-173.7	0	0	0	0	114.6
7	K	34.6	Very low	38	Very low	201 Å²	201	162.9 Å²	162.9	87%	0.874	78%	0.776	S	S	*	*	S	Bend	trans	-97.3	0.8	-177.5	-94.4	-178.1	174.8	-178.5	0	115.1
8	V	41.2	Very low	38.3	Very low	104 Å²	104	154.4 Å²	154.4	63%	0.63	74%	0.736	S	S	*	*	S	Bend	trans	-95.3	-11.8	-179.7	-175.1	0	0	0	0	112.8
9	Y	34.3	Very low	38.6	Very low	214 Å²	214	152.8 Å²	152.8	84%	0.839	73%	0.726	S	S	*	*	S	Bend	trans	-118	26.5	-174	-73.7	-76.6	0	0	0	115.3
10	S	36.2	Very low	39	Very low	96 Å²	96	145.3 Å²	145.3	67%	0.671	69%	0.69	S	S	*	*			trans	-134.4	63.4	173.4	-174.4	0	0	0	0	111	P12	S10-P12 WeakPolarHBondContact O-CD 3.41Å
11	F	38.6	Very low	39.2	Very low	178 Å²	178	140 Å²	140	78%	0.781	67%	0.667	S	S	*	*			trans	-71.4	117.7	150.3	-90.7	-88.6	0	0	0	107.2	M13	F11-M13 PolarHBondContact O-N 2.73Å
12	P	36.7	Very low	39.8	Very low	103 Å²	103	128.4 Å²	128.4	67%	0.669	61%	0.61	S	S	*	*			trans	-65.9	105.4	173.1	27.1	-29.6	0	0	0	107.7	S10 R14	S10-P12 WeakPolarHBondContact O-CD 3.41Å; P12-R14 PolarHBondContact O-N 2.93Å
13	M	39.7	Very low	40	Very low	173 Å²	173	118.8 Å²	118.8	85%	0.852	58%	0.578	S	S	*	*	S	Bend	trans	-62	54.6	170.6	-98.9	-93.8	-78.3	0	0	111.9	F11	F11-M13 PolarHBondContact O-N 2.73Å
14	R	40.2	Very low	40.6	Very low	235 Å²	235	109.9 Å²	109.9	89%	0.887	54%	0.537	S	S	*	.			trans	-126	6.7	-179.3	-75.4	-165.7	178.4	-157.1	1.2	114.8	P12	P12-R14 PolarHBondContact O-N 2.93Å
15	K	40	Very low	41.5	Very low	155 Å²	155	103.7 Å²	103.7	67%	0.674	52%	0.516	S	S	*	.	S	Bend	trans	-123.3	92.9	161.6	-73.1	-175.3	178	-175.4	0	107.3	I17	K15-I17 PolarHBondContact O-N 2.95Å
16	L	35.9	Very low	42.5	Very low	127 Å²	127	106.3 Å²	106.3	67%	0.665	52%	0.516	S	S	*	.			trans	-62.7	105.7	175.5	-141.7	89.8	0	0	0	107.3
17	I	40.7	Very low	43.7	Very low	56 Å²	56	102.9 Å²	102.9	29%	0.287	49%	0.488	S	S	.	.	P	Polyproline II helix	trans	-73.2	136.7	-178.6	-90.1	161.5	0	0	0	109.1	K15 F172 L173	K15-I17 PolarHBondContact O-N 2.95Å; I17-F172 HydrophobicContact CB-CB 4.06Å; I17-F172 HydrophobicContact CB-CD2 4.06Å; I17-F172 HydrophobicContact CB-CG 4.12Å; I17-F172 HydrophobicContact CD1-CD2 3.63Å; I17-F172 HydrophobicContact CD1-CE2 3.9Å; I17-F172 HydrophobicContact CG1-CB 4.08Å; I17-F172 HydrophobicContact CG1-CD2 3.68Å; I17-F172 HydrophobicContact CG1-CE2 4.39Å; I17-F172 HydrophobicContact CG1-CG 4.14Å; I17-F172 HydrophobicContact CG2-CB 3.41Å; I17-F172 VanDerWaalsContact CG2-CB 3.41Å; I17-F172 HydrophobicContact CG2-CD1 3.49Å; I17-F172 VanDerWaalsContact CG2-CD1 3.49Å; I17-F172 HydrophobicContact CG2-CD2 3.33Å; I17-F172 HydrophobicContact CG2-CE1 3.98Å; I17-F172 HydrophobicContact CG2-CE2 3.81Å; I17-F172 HydrophobicContact CG2-CG 3.13Å; I17-F172 HydrophobicContact CG2-CZ 4.11Å; I17-L173 WeakPolarHBondContact CG1-O 3.47Å
18	L	44.3	Very low	44.4	Very low	9 Å²	9	98.9 Å²	98.9	5%	0.047	48%	0.481	C	S	.	.	P	Polyproline II helix	trans	-70.3	130.3	-175.2	-156.9	83.5	0	0	0	110.8	L20 F50 K52 M55	L18-L20 HydrophobicContact CD2-CD1 4.32Å; L18-L20 HydrophobicContact CD2-CD2 3.4Å; L18-L20 VanDerWaalsContact CD2-CD2 3.4Å; L18-L20 HydrophobicContact CD2-CG 3.9Å; L18-L20 HydrophobicContact CG-CD2 3.86Å; L18-L20 HydrophobicContact CG-CG 4.46Å; L18-F50 HydrophobicContact CB-CE2 4.43Å; L18-F50 HydrophobicContact CD1-CD2 3.37Å; L18-F50 HydrophobicContact CD1-CE2 3.43Å; L18-F50 VanDerWaalsContact CD1-CE2 3.43Å; L18-F50 HydrophobicContact CG-CD2 4.06Å; L18-F50 HydrophobicContact CG-CE2 3.86Å; L18-K52 HydrophobicContact CD1-CB 3.63Å; L18-K52 HydrophobicContact CD1-CG 4.21Å; L18-K52 VanDerWaalsContact CD1-N 3.27Å; L18-M55 HydrophobicContact CD2-CB 4.18Å; L18-M55 HydrophobicContact CD2-CE 4.45Å; L18-M55 HydrophobicContact CD2-CG 3.92Å
19	F	43.2	Very low	44.8	Very low	125 Å²	125	99.2 Å²	99.2	55%	0.548	49%	0.485	S	S	.	.	P	Polyproline II helix	trans	-102.7	126.3	163.6	-69	-89	0	0	0	107.3	F50 Y73	F19-F50 HydrophobicContact CB-CE1 3.98Å; F19-F50 HydrophobicContact CB-CZ 3.85Å; F19-F50 WeakPolarHBondContact O-CD1 3.12Å; F19-F50 WeakPolarHBondContact O-CE1 3.24Å; F19-F50 WeakPolarHBondContact O-CZ 3.31Å; F19-Y73 VanDerWaalsContact CA-OH 3.28Å; F19-Y73 WeakPolarHBondContact CA-OH 3.27Å
20	L	47.6	Very low	45.3	Very low	2 Å²	2	92.7 Å²	92.7	1%	0.01	47%	0.468	C	S	.	.			trans	-108.8	111.4	170.3	-63.1	-169	0	0	0	106.9	L18 F22 F50 L62 Y73 F169 G170	L18-L20 HydrophobicContact CD2-CD1 4.32Å; L18-L20 HydrophobicContact CD2-CD2 3.4Å; L18-L20 VanDerWaalsContact CD2-CD2 3.4Å; L18-L20 HydrophobicContact CD2-CG 3.9Å; L18-L20 HydrophobicContact CG-CD2 3.86Å; L18-L20 HydrophobicContact CG-CG 4.46Å; L20-F22 HydrophobicContact CB-CD2 3.91Å; L20-F22 HydrophobicContact CB-CE2 3.44Å; L20-F22 VanDerWaalsContact CB-CE2 3.44Å; L20-F22 HydrophobicContact CB-CZ 4.16Å; L20-F22 HydrophobicContact CD1-CE2 3.81Å; L20-F22 HydrophobicContact CD2-CE2 3.6Å; L20-F22 HydrophobicContact CD2-CZ 3.59Å; L20-F22 HydrophobicContact CG-CE2 3.78Å; L20-F22 HydrophobicContact CG-CZ 4.29Å; L20-F50 WeakPolarHBondContact CD2-O 3.4Å; L20-L62 HydrophobicContact CD1-CD1 3.85Å; L20-L62 HydrophobicContact CD1-CD2 3.81Å; L20-L62 HydrophobicContact CD1-CG 4.49Å; L20-Y73 PolarHBondContact N-OH 3.47Å; L20-F169 WeakPolarHBondContact CB-O 3.26Å; L20-F169 WeakPolarHBondContact CD1-O 3.46Å; L20-G170 VanDerWaalsContact CB-CA 3.44Å
21	V	42.8	Very low	45.5	Very low	34 Å²	34	97.6 Å²	97.6	21%	0.206	48%	0.48	C	S	.	.			trans	-122.5	112.3	174.6	-178.1	0	0	0	0	105.6	L48 A49 E164	V21-L48 HydrophobicContact CB-CB 3.79Å; V21-L48 HydrophobicContact CB-CD1 4.38Å; V21-L48 HydrophobicContact CG1-CB 3.92Å; V21-L48 HydrophobicContact CG1-CD1 3.71Å; V21-L48 HydrophobicContact CG1-CG 4.49Å; V21-L48 CarbonylContact O-C 3.58Å; V21-A49 PolarHBondContact O-N 2.91Å; V21-E164 VanDerWaalsContact CG1-O 3.22Å; V21-E164 WeakPolarHBondContact CG1-O 3.43Å
22	F	57.6	Low	45.9	Very low	4 Å²	4	93.2 Å²	93.2	2%	0.018	46%	0.462	C	S	.	.			trans	-148.4	137.7	-171.8	-57	-66.7	0	0	0	113	L20 W42 E43 H44 A49 T167	L20-F22 HydrophobicContact CB-CD2 3.91Å; L20-F22 HydrophobicContact CB-CE2 3.44Å; L20-F22 VanDerWaalsContact CB-CE2 3.44Å; L20-F22 HydrophobicContact CB-CZ 4.16Å; L20-F22 HydrophobicContact CD1-CE2 3.81Å; L20-F22 HydrophobicContact CD2-CE2 3.6Å; L20-F22 HydrophobicContact CD2-CZ 3.59Å; L20-F22 HydrophobicContact CG-CE2 3.78Å; L20-F22 HydrophobicContact CG-CZ 4.29Å; F22-W42 HydrophobicContact CB-CE3 4.06Å; F22-W42 HydrophobicContact CD2-CB 4.29Å; F22-E43 HydrophobicContact CB-CB 4.4Å; F22-E43 VanDerWaalsContact CD1-C 3.48Å; F22-E43 HydrophobicContact CD1-CB 4.08Å; F22-E43 HydrophobicContact CD1-CG 4.39Å; F22-E43 WeakPolarHBondContact CD1-O 3.4Å; F22-E43 WeakPolarHBondContact CD2-O 3.14Å; F22-E43 WeakPolarHBondContact CE1-O 3.41Å; F22-E43 WeakPolarHBondContact CE2-O 3.37Å; F22-E43 WeakPolarHBondContact CG-O 2.91Å; F22-E43 WeakPolarHBondContact CZ-O 3.38Å; F22-H44 HydrophobicContact CE1-CB 4.44Å; F22-H44 HydrophobicContact CZ-CB 4.28Å; F22-A49 VanDerWaalsContact CD1-CA 3.45Å; F22-A49 HydrophobicContact CD1-CB 3.36Å; F22-A49 HydrophobicContact CE1-CB 3.12Å; F22-A49 HydrophobicContact CZ-CB 4.36Å; F22-T167 CarbonylContact C-O 3.59Å; F22-T167 CarbonylContact O-C 3.44Å
23	P	43.5	Very low	46.3	Very low	35 Å²	35	97 Å²	97	23%	0.227	47%	0.468	C	S	.	.	P	Polyproline II helix	trans	-69	143.9	164	31.3	-29.4	0	0	0	110.3	V25 E164	P23-V25 PolarHBondContact O-N 3.28Å; P23-E164 HydrophobicContact CB-CB 4.49Å; P23-E164 HydrophobicContact CG-CB 4.3Å
24	V	51.5	Low	46.3	Very low	5 Å²	5	98.3 Å²	98.3	3%	0.03	47%	0.469	C	S	.	.	B	Isolated β-bridge	trans	-60.8	128.3	162.4	164	0	0	0	0	107.9	Q27 L40 H41 W42 V159 Y161 T167	V24-Q27 HydrophobicContact CG1-CG 3.85Å; V24-L40 HydrophobicContact CG1-CD2 4.09Å; V24-L40 HydrophobicContact CG2-CB 4.29Å; V24-L40 HydrophobicContact CG2-CD1 3.82Å; V24-L40 HydrophobicContact CG2-CD2 4.08Å; V24-L40 HydrophobicContact CG2-CG 4.29Å; V24-H41 WeakPolarHBondContact CA-O 3.47Å; V24-W42 HydrophobicContact CG2-CE3 4.27Å; V24-W42 HydrophobicContact CG2-CH2 4.1Å; V24-W42 HydrophobicContact CG2-CZ3 3.87Å; V24-V159 HydrophobicContact CB-CG1 4.33Å; V24-V159 HydrophobicContact CG1-CG1 4.44Å; V24-V159 HydrophobicContact CG2-CG1 4.08Å; V24-Y161 WeakPolarHBondContact O-CB 3.36Å; V24-T167 HydrophobicContact CG2-CG2 3.53Å
25	V	55.6	Low	47	Very low	72 Å²	72	95.4 Å²	95.4	44%	0.436	47%	0.471	S	S	.	.	P	Polyproline II helix	trans	-61.5	142.2	173.5	179.4	0	0	0	0	108.5	P23 Q27 H41	P23-V25 PolarHBondContact O-N 3.28Å; V25-Q27 WeakPolarHBondContact O-CG 3.35Å; V25-Q27 PolarHBondContact O-N 3.33Å; V25-H41 HydrophobicContact CB-CB 4.3Å; V25-H41 PolarHBondContact N-O 3.14Å
26	R	55.3	Low	48.5	Very low	205 Å²	205	94.2 Å²	94.2	77%	0.774	47%	0.468	S	S	*	.			trans	-52.9	110.3	176.3	-174	-177.2	-177	-154	0.6	109.8	Y161	R26-Y161 HydrophobicContact CB-CE2 4.36Å; R26-Y161 HydrophobicContact CG-CE2 4.12Å
27	Q	58	Low	51.1	Low	28 Å²	28	91.8 Å²	91.8	13%	0.131	45%	0.452	C	S	.	.			trans	-96.8	137.7	-173.5	-50.8	-163.9	-61.4	0	0	110.9	V24 V25 L40 H41 I156	V24-Q27 HydrophobicContact CG1-CG 3.85Å; V25-Q27 WeakPolarHBondContact O-CG 3.35Å; V25-Q27 PolarHBondContact O-N 3.33Å; Q27-L40 VanDerWaalsContact OE1-CD2 3.28Å; Q27-H41 PolarHBondContact NE2-ND1 3.13Å; Q27-I156 HydrophobicContact CB-CG2 3.66Å; Q27-I156 HydrophobicContact CG-CG2 4.25Å; Q27-I156 VanDerWaalsContact OE1-CG1 3.25Å; Q27-I156 VanDerWaalsContact OE1-CG2 3.27Å
28	T	48.9	Very low	53.5	Low	117 Å²	117	89.6 Å²	89.6	72%	0.718	44%	0.442	S	S	*	.			trans	-81.5	136.6	165.2	41.8	0	0	0	0	109.5	T30	T28-T30 PolarHBondContact O-N 3.13Å; T28-T30 VanDerWaalsContact O-N 3.1Å
29	P	49.8	Very low	55.9	Low	111 Å²	111	89.8 Å²	89.8	72%	0.721	44%	0.444	S	S	*	.			trans	-61.3	113.9	172.2	-19.2	30.7	0	0	0	109.7
30	T	44.4	Very low	58.2	Low	76 Å²	76	83.8 Å²	83.8	47%	0.466	42%	0.418	S	S	.	.			trans	-90.4	147.6	171.2	46	0	0	0	0	109.9	T28 H32	T28-T30 PolarHBondContact O-N 3.13Å; T28-T30 VanDerWaalsContact O-N 3.1Å; T30-H32 PolarHBondContact O-CD2 2.83Å; T30-H32 PolarHBondContact O-N 3.18Å; T30-H32 PolarHBondContact O-NE2 2.91Å; T30-H32 PolarHBondContact OG1-CE1 3.29Å
31	Q	40.3	Very low	60.3	Low	199 Å²	199	87 Å²	87	93%	0.93	43%	0.433	S	S	*	.			trans	-57.2	109.3	173.6	-87.3	178.4	-6.3	0	0	109.9
32	H	48.4	Very low	62.4	Low	86 Å²	86	85.7 Å²	85.7	40%	0.398	42%	0.424	S	S	.	.	P	Polyproline II helix	trans	-85.9	129.9	176.6	-70.1	-65.9	0	0	0	109.8	T30 K34 P38	T30-H32 PolarHBondContact O-CD2 2.83Å; T30-H32 PolarHBondContact O-N 3.18Å; T30-H32 PolarHBondContact O-NE2 2.91Å; T30-H32 PolarHBondContact OG1-CE1 3.29Å; H32-K34 PolarHBondContact O-N 3.17Å; H32-P38 WeakPolarHBondContact CE1-CB 3.14Å
33	F	45.1	Very low	63.8	Low	182 Å²	182	87.8 Å²	87.8	80%	0.798	43%	0.434	S	S	*	.	P	Polyproline II helix	trans	-57.8	126.9	164.7	-75.9	-87	0	0	0	108	N35 Q36	F33-N35 PolarHBondContact O-N 3.41Å; F33-Q36 PolarHBondContact O-N 2.94Å
34	K	38.8	Very low	65.7	Low	201 Å²	201	88.5 Å²	88.5	87%	0.874	43%	0.434	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49.5	118	179.5	-81.2	179.1	172.9	177.7	0	108.5	H32	H32-K34 PolarHBondContact O-N 3.17Å
35	N	55.3	Low	67.1	Low	174 Å²	174	95 Å²	95	93%	0.93	46%	0.464	S	S	*	.	T	Hydrogen-bonded Turn	trans	103.6	5.4	176.3	-50.5	-17.7	0	0	0	118	F33	F33-N35 PolarHBondContact O-N 3.41Å
36	Q	72.3	Confident	68.4	Low	130 Å²	130	97.4 Å²	97.4	61%	0.607	47%	0.474	S	S	*	.			trans	-115.1	126.9	174.7	-158.9	170.5	31.6	0	0	112.6	F33 P38	F33-Q36 PolarHBondContact O-N 2.94Å; Q36-P38 WeakPolarHBondContact O-CD 2.9Å
37	F	90.1	Very high	69.8	Low	77 Å²	77	90.9 Å²	90.9	34%	0.338	47%	0.471	S	S	.	.	P	Polyproline II helix	trans	-69.9	125.6	176	-71.1	-23.6	0	0	0	111.2	A39 T101 V103 N152 V153	F37-A39 PolarHBondContact O-N 2.97Å; F37-T101 HydrophobicContact CD2-CG2 4.33Å; F37-T101 HydrophobicContact CE2-CG2 3.55Å; F37-T101 HydrophobicContact CZ-CG2 4.07Å; F37-V103 HydrophobicContact CD2-CG2 3.76Å; F37-V103 HydrophobicContact CE2-CG2 3.94Å; F37-N152 HydrophobicContact CB-CB 3.69Å; F37-N152 PolarHBondContact O-ND2 3.46Å; F37-V153 WeakPolarHBondContact CB-O 3.24Å
38	P	91.8	Very high	70.9	Confident	10 Å²	10	94 Å²	94	7%	0.065	49%	0.488	C	S	.	.	P	Polyproline II helix	trans	-52.4	137	174.8	-0.1	-13.4	0	0	0	113.7	H32 Q36 N152 V153 I156	H32-P38 WeakPolarHBondContact CE1-CB 3.14Å; Q36-P38 WeakPolarHBondContact O-CD 2.9Å; P38-N152 CarbonylContact O-C 3.56Å; P38-N152 WeakPolarHBondContact O-CA 3.32Å; P38-V153 WeakPolarHBondContact CD-O 3.43Å; P38-V153 HydrophobicContact CG-CG2 4.47Å; P38-V153 WeakPolarHBondContact CG-O 3.41Å; P38-V153 PolarHBondContact O-N 3.04Å; P38-I156 HydrophobicContact CB-CD1 3.2Å; P38-I156 HydrophobicContact CB-CG1 3.54Å; P38-I156 HydrophobicContact CG-CD1 3.87Å; P38-I156 HydrophobicContact CG-CG1 3.74Å
39	A	93.1	Very high	72.4	Confident	12 Å²	12	88.8 Å²	88.8	10%	0.099	46%	0.457	C	S	.	.	B	Isolated β-bridge	trans	-83.1	135	167.6	0	0	0	0	0	111.8	F37 K60 M150 V151	F37-A39 PolarHBondContact O-N 2.97Å; A39-K60 HydrophobicContact CB-CB 4.47Å; A39-K60 HydrophobicContact CB-CD 3.72Å; A39-K60 WeakPolarHBondContact O-CD 3.28Å; A39-K60 WeakPolarHBondContact O-CE 3.47Å; A39-K60 PolarHBondContact O-NZ 2.85Å; A39-M150 HydrophobicContact CB-SD 3.76Å; A39-V151 WeakPolarHBondContact CA-O 3.47Å
40	L	91.8	Very high	74	Confident	0 Å²	0	86.2 Å²	86.2	0%	0	43%	0.434	C	S	.	.	P	Polyproline II helix	trans	-74.1	152.2	176.1	-66.7	178.3	0	0	0	112.2	V24 Q27 W42 K60 V76 V151 V153 I156 V159	V24-L40 HydrophobicContact CG1-CD2 4.09Å; V24-L40 HydrophobicContact CG2-CB 4.29Å; V24-L40 HydrophobicContact CG2-CD1 3.82Å; V24-L40 HydrophobicContact CG2-CD2 4.08Å; V24-L40 HydrophobicContact CG2-CG 4.29Å; Q27-L40 VanDerWaalsContact OE1-CD2 3.28Å; L40-W42 HydrophobicContact CB-CZ2 3.87Å; L40-W42 HydrophobicContact CD1-CH2 3.93Å; L40-W42 HydrophobicContact CD1-CZ2 3.69Å; L40-W42 HydrophobicContact CG-CZ2 4.43Å; L40-K60 WeakPolarHBondContact O-CB 3.22Å; L40-K60 WeakPolarHBondContact O-CG 3.36Å; L40-V76 HydrophobicContact CD1-CG2 4.06Å; L40-V151 HydrophobicContact CD1-CG1 4.17Å; L40-V151 PolarHBondContact N-O 2.67Å; L40-V153 HydrophobicContact CD1-CG1 3.73Å; L40-V153 HydrophobicContact CD2-CG1 4.4Å; L40-V153 HydrophobicContact CD2-CG2 3.87Å; L40-V153 HydrophobicContact CG-CG1 4.06Å; L40-V153 HydrophobicContact CG-CG2 4.22Å; L40-I156 HydrophobicContact CD2-CG1 4.23Å; L40-V159 HydrophobicContact CD2-CG2 4.28Å
41	H	91.1	Very high	76	Confident	70 Å²	70	84.7 Å²	84.7	32%	0.324	43%	0.425	S	S	.	.			trans	-105	136.6	171.2	-72.5	108.6	0	0	0	107.6	V24 V25 Q27 K60	V24-H41 WeakPolarHBondContact CA-O 3.47Å; V25-H41 HydrophobicContact CB-CB 4.3Å; V25-H41 PolarHBondContact N-O 3.14Å; Q27-H41 PolarHBondContact NE2-ND1 3.13Å; H41-K60 WeakPolarHBondContact CD2-CG 2.94Å; H41-K60 WeakPolarHBondContact CE1-CE 3.23Å; H41-K60 WeakPolarHBondContact ND1-CE 2.92Å; H41-K60 WeakPolarHBondContact NE2-CE 3.2Å
42	W	87.7	Confident	78.1	Confident	6 Å²	6	80.6 Å²	80.6	2%	0.023	40%	0.404	C	S	.	.	B	Isolated β-bridge	trans	-115.5	142.3	-178.3	-54.2	98	0	0	0	110.1	F22 V24 L40 Y57 V151 T167 F169	F22-W42 HydrophobicContact CB-CE3 4.06Å; F22-W42 HydrophobicContact CD2-CB 4.29Å; V24-W42 HydrophobicContact CG2-CE3 4.27Å; V24-W42 HydrophobicContact CG2-CH2 4.1Å; V24-W42 HydrophobicContact CG2-CZ3 3.87Å; L40-W42 HydrophobicContact CB-CZ2 3.87Å; L40-W42 HydrophobicContact CD1-CH2 3.93Å; L40-W42 HydrophobicContact CD1-CZ2 3.69Å; L40-W42 HydrophobicContact CG-CZ2 4.43Å; W42-Y57 HydrophobicContact CB-CE1 4.48Å; W42-Y57 HydrophobicContact CB-CE2 3.94Å; W42-Y57 AromaticContact CD1-CE2 3.84Å; W42-Y57 HydrophobicContact CG-CE2 4.29Å; W42-Y57 PolarHBondContact N-OH 2.88Å; W42-Y57 WeakPolarHBondContact O-CE1 2.93Å; W42-Y57 PolarHBondContact O-OH 2.88Å; W42-V151 HydrophobicContact CZ2-CB 3.8Å; W42-V151 HydrophobicContact CZ2-CG1 4.23Å; W42-V151 HydrophobicContact CZ2-CG2 3.88Å; W42-T167 HydrophobicContact CH2-CG2 3.93Å; W42-T167 HydrophobicContact CZ3-CG2 3.94Å; W42-F169 HydrophobicContact CD2-CB 4.04Å; W42-F169 HydrophobicContact CD2-CD1 4.48Å; W42-F169 HydrophobicContact CE3-CB 4.22Å; W42-F169 HydrophobicContact CH2-CB 3.6Å; W42-F169 HydrophobicContact CZ2-CB 3.4Å; W42-F169 VanDerWaalsContact CZ2-CB 3.4Å; W42-F169 HydrophobicContact CZ2-CD1 4.47Å; W42-F169 HydrophobicContact CZ2-CG 4.23Å; W42-F169 HydrophobicContact CZ3-CB 4.02Å; W42-F169 AromaticContact NE1-CD1 3.76Å
43	E	87.3	Confident	80	Confident	47 Å²	47	82.3 Å²	82.3	22%	0.22	42%	0.416	C	S	.	.			trans	-63.2	155.4	157.5	178.9	49.2	-112	0	0	109	F22 E45 L46 A49	F22-E43 HydrophobicContact CB-CB 4.4Å; F22-E43 VanDerWaalsContact CD1-C 3.48Å; F22-E43 HydrophobicContact CD1-CB 4.08Å; F22-E43 HydrophobicContact CD1-CG 4.39Å; F22-E43 WeakPolarHBondContact CD1-O 3.4Å; F22-E43 WeakPolarHBondContact CD2-O 3.14Å; F22-E43 WeakPolarHBondContact CE1-O 3.41Å; F22-E43 WeakPolarHBondContact CE2-O 3.37Å; F22-E43 WeakPolarHBondContact CG-O 2.91Å; F22-E43 WeakPolarHBondContact CZ-O 3.38Å; E43-E45 PolarHBondContact OE1-N 2.98Å; E43-L46 HydrophobicContact CG-CB 4.26Å; E43-L46 PolarHBondContact OE1-N 2.76Å; E43-A49 HydrophobicContact CG-CB 4.18Å
44	H	83.9	Confident	82.2	Confident	51 Å²	51	81.5 Å²	81.5	24%	0.236	41%	0.408	C	S	.	.			trans	-141.5	-8.4	179.8	66.9	-67.3	0	0	0	115.5	F22 T51 Y57	F22-H44 HydrophobicContact CE1-CB 4.44Å; F22-H44 HydrophobicContact CZ-CB 4.28Å; H44-T51 HydrophobicContact CB-CG2 4.22Å; H44-Y57 HydrophobicContact CB-CD1 3.73Å; H44-Y57 HydrophobicContact CB-CG 4.07Å; H44-Y57 AromaticContact CG-CD1 3.62Å; H44-Y57 AromaticContact ND1-CD1 3.63Å
45	E	80.8	Confident	84.6	Confident	140 Å²	140	72.7 Å²	72.7	65%	0.654	37%	0.37	S	S	*	.	S	Bend	trans	-126.6	-28	-175.2	-58.3	-172.9	160.6	0	0	114.6	E43	E43-E45 PolarHBondContact OE1-N 2.98Å
46	L	82.1	Confident	86.2	Confident	123 Å²	123	68.1 Å²	68.1	64%	0.644	35%	0.346	S	S	*	.	S	Bend	trans	-107.6	137.2	-170.9	-57.7	177.5	0	0	0	114.4	E43 A49	E43-L46 HydrophobicContact CG-CB 4.26Å; E43-L46 PolarHBondContact OE1-N 2.76Å; L46-A49 VanDerWaalsContact C-CB 3.45Å; L46-A49 WeakPolarHBondContact O-CB 3.31Å
47	G	84	Confident	87.1	Confident	69 Å²	69	63 Å²	63	71%	0.711	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	88.2	-133.9	176.2	0	0	0	0	0	112.8	A49	G47-A49 PolarHBondContact O-N 3.31Å
48	L	82.4	Confident	87.2	Confident	92 Å²	92	62.8 Å²	62.8	48%	0.482	33%	0.326	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.7	-0.2	172.2	-62.2	177.4	0	0	0	113.6	V21 E164	V21-L48 HydrophobicContact CB-CB 3.79Å; V21-L48 HydrophobicContact CB-CD1 4.38Å; V21-L48 HydrophobicContact CG1-CB 3.92Å; V21-L48 HydrophobicContact CG1-CD1 3.71Å; V21-L48 HydrophobicContact CG1-CG 4.49Å; V21-L48 CarbonylContact O-C 3.58Å; L48-E164 VanDerWaalsContact CD1-CD 3.5Å; L48-E164 HydrophobicContact CD1-CG 3.88Å; L48-E164 WeakPolarHBondContact CD1-OE1 3.45Å; L48-E164 VanDerWaalsContact CG-CD 3.48Å; L48-E164 HydrophobicContact CG-CG 4.37Å; L48-E164 WeakPolarHBondContact CG-OE1 3.2Å; L48-E164 PolarHBondContact N-OE2 2.56Å
49	A	80.6	Confident	87.1	Confident	9 Å²	9	68 Å²	68	7%	0.074	35%	0.354	C	S	.	.			trans	-63	132.7	176	0	0	0	0	0	115.1	V21 F22 E43 L46 G47	V21-A49 PolarHBondContact O-N 2.91Å; F22-A49 VanDerWaalsContact CD1-CA 3.45Å; F22-A49 HydrophobicContact CD1-CB 3.36Å; F22-A49 HydrophobicContact CE1-CB 3.12Å; F22-A49 HydrophobicContact CZ-CB 4.36Å; E43-A49 HydrophobicContact CG-CB 4.18Å; L46-A49 VanDerWaalsContact C-CB 3.45Å; L46-A49 WeakPolarHBondContact O-CB 3.31Å; G47-A49 PolarHBondContact O-N 3.31Å
50	F	83.3	Confident	87.1	Confident	56 Å²	56	69.4 Å²	69.4	25%	0.246	36%	0.357	C	S	.	.			trans	-161.6	144.2	161.3	60.1	-81.7	0	0	0	114.1	L18 F19 L20 K52	L18-F50 HydrophobicContact CB-CE2 4.43Å; L18-F50 HydrophobicContact CD1-CD2 3.37Å; L18-F50 HydrophobicContact CD1-CE2 3.43Å; L18-F50 VanDerWaalsContact CD1-CE2 3.43Å; L18-F50 HydrophobicContact CG-CD2 4.06Å; L18-F50 HydrophobicContact CG-CE2 3.86Å; F19-F50 HydrophobicContact CB-CE1 3.98Å; F19-F50 HydrophobicContact CB-CZ 3.85Å; F19-F50 WeakPolarHBondContact O-CD1 3.12Å; F19-F50 WeakPolarHBondContact O-CE1 3.24Å; F19-F50 WeakPolarHBondContact O-CZ 3.31Å; L20-F50 WeakPolarHBondContact CD2-O 3.4Å; F50-K52 HydrophobicContact CD2-CD 3.8Å; F50-K52 HydrophobicContact CD2-CG 3.93Å; F50-K52 HydrophobicContact CE2-CD 4.17Å
51	T	85.1	Confident	87.2	Confident	45 Å²	45	71.6 Å²	71.6	28%	0.276	37%	0.367	S	S	.	.			trans	-111.7	136.4	162.6	56.4	0	0	0	0	109.6	H44 M55	H44-T51 HydrophobicContact CB-CG2 4.22Å; T51-M55 WeakPolarHBondContact CB-O 3.22Å
52	K	86.2	Confident	87.3	Confident	112 Å²	112	68.3 Å²	68.3	49%	0.487	35%	0.352	S	S	.	.			trans	-144.3	166.3	-178.7	-69.7	-179.2	-178.1	175.4	0	110.2	L18 F50 R54 M55	L18-K52 HydrophobicContact CD1-CB 3.63Å; L18-K52 HydrophobicContact CD1-CG 4.21Å; L18-K52 VanDerWaalsContact CD1-N 3.27Å; F50-K52 HydrophobicContact CD2-CD 3.8Å; F50-K52 HydrophobicContact CD2-CG 3.93Å; F50-K52 HydrophobicContact CE2-CD 4.17Å; K52-R54 VanDerWaalsContact C-N 3.32Å; K52-R54 PolarHBondContact O-N 2.81Å; K52-M55 VanDerWaalsContact O-CB 3.27Å; K52-M55 WeakPolarHBondContact O-CB 3.2Å; K52-M55 PolarHBondContact O-N 3.32Å; K52-M55 VanDerWaalsContact O-N 3.14Å
53	N	87.6	Confident	87.7	Confident	122 Å²	122	70.7 Å²	70.7	65%	0.652	37%	0.365	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.3	45	172.5	-55.2	-31	0	0	0	113.1	M55	N53-M55 PolarHBondContact O-N 2.97Å; N53-M55 VanDerWaalsContact O-N 3.13Å
54	R	90.6	Very high	88.1	Confident	166 Å²	166	68.6 Å²	68.6	63%	0.626	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	68.6	-3.9	-179.8	-49.6	178.4	-68.7	158.9	-0.9	115.7	K52 N56 P65 E66	K52-R54 VanDerWaalsContact C-N 3.32Å; K52-R54 PolarHBondContact O-N 2.81Å; R54-N56 PolarHBondContact O-N 2.89Å; R54-P65 HydrophobicContact CB-CB 3.74Å; R54-P65 HydrophobicContact CB-CG 4.34Å; R54-P65 WeakPolarHBondContact O-CB 3.37Å; R54-E66 IonicContact NH2-OE2 2.69Å; R54-E66 PolarHBondContact NH2-OE2 2.97Å; R54-E66 VanDerWaalsContact NH2-OE2 3.13Å
55	M	89.1	Confident	88.6	Confident	15 Å²	15	67.1 Å²	67.1	7%	0.074	35%	0.35	C	S	.	.			trans	-58.3	128.9	168.5	-169.3	74	100.5	0	0	108.1	L18 T51 K52 N53 L62 I64 Y70 A171	L18-M55 HydrophobicContact CD2-CB 4.18Å; L18-M55 HydrophobicContact CD2-CE 4.45Å; L18-M55 HydrophobicContact CD2-CG 3.92Å; T51-M55 WeakPolarHBondContact CB-O 3.22Å; K52-M55 VanDerWaalsContact O-CB 3.27Å; K52-M55 WeakPolarHBondContact O-CB 3.2Å; K52-M55 PolarHBondContact O-N 3.32Å; K52-M55 VanDerWaalsContact O-N 3.14Å; N53-M55 PolarHBondContact O-N 2.97Å; N53-M55 VanDerWaalsContact O-N 3.13Å; M55-L62 HydrophobicContact CE-CD2 3.96Å; M55-L62 HydrophobicContact CE-CG 4.27Å; M55-L62 HydrophobicContact CG-CD1 3.53Å; M55-L62 HydrophobicContact CG-CG 4.14Å; M55-L62 HydrophobicContact SD-CD1 3.88Å; M55-L62 HydrophobicContact SD-CD2 4.16Å; M55-L62 HydrophobicContact SD-CG 3.78Å; M55-I64 HydrophobicContact CE-CD1 4.37Å; M55-I64 HydrophobicContact SD-CD1 4.35Å; M55-Y70 HydrophobicContact CE-CD1 4.37Å; M55-Y70 HydrophobicContact CE-CE1 4.03Å; M55-A171 HydrophobicContact CE-CB 4.12Å
56	N	90.5	Very high	89.3	Confident	78 Å²	78	64.2 Å²	64.2	42%	0.417	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	147.1	-175.8	-164.8	11.9	0	0	0	110.8	R54 L63	R54-N56 PolarHBondContact O-N 2.89Å; N56-L63 HydrophobicContact CB-CB 4.43Å; N56-L63 PolarHBondContact O-N 2.6Å
57	Y	90.9	Very high	90	Very high	23 Å²	23	61 Å²	61	9%	0.09	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	121.2	176.7	173.7	-97.7	0	0	0	109.8	W42 H44 K60 F61	W42-Y57 HydrophobicContact CB-CE1 4.48Å; W42-Y57 HydrophobicContact CB-CE2 3.94Å; W42-Y57 AromaticContact CD1-CE2 3.84Å; W42-Y57 HydrophobicContact CG-CE2 4.29Å; W42-Y57 PolarHBondContact N-OH 2.88Å; W42-Y57 WeakPolarHBondContact O-CE1 2.93Å; W42-Y57 PolarHBondContact O-OH 2.88Å; H44-Y57 HydrophobicContact CB-CD1 3.73Å; H44-Y57 HydrophobicContact CB-CG 4.07Å; H44-Y57 AromaticContact CG-CD1 3.62Å; H44-Y57 AromaticContact ND1-CD1 3.63Å; Y57-K60 WeakPolarHBondContact OH-CA 2.85Å; Y57-K60 PolarHBondContact OH-N 3.46Å; Y57-F61 CarbonylContact C-O 3.52Å; Y57-F61 VanDerWaalsContact CA-O 3.31Å; Y57-F61 WeakPolarHBondContact CA-O 3.37Å; Y57-F61 VanDerWaalsContact CD2-O 3.24Å; Y57-F61 WeakPolarHBondContact CD2-O 3.45Å
58	T	90.6	Very high	90.6	Very high	72 Å²	72	58.8 Å²	58.8	44%	0.442	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.3	128.6	-177.7	-53.7	0	0	0	0	109.7	K60 F61	T58-K60 PolarHBondContact O-N 2.98Å; T58-F61 PolarHBondContact N-O 2.8Å; T58-F61 WeakPolarHBondContact O-CB 3.46Å; T58-F61 PolarHBondContact O-N 2.86Å
59	N	90.2	Very high	91.3	Very high	121 Å²	121	57.8 Å²	57.8	65%	0.647	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.5	53.6	171.3	-168.8	31.5	0	0	0	113.9	F61	N59-F61 WeakPolarHBondContact O-CD2 3.39Å; N59-F61 PolarHBondContact O-N 3.5Å
60	K	92.5	Very high	92	Very high	41 Å²	41	57.6 Å²	57.6	18%	0.178	29%	0.294	C	S	.	.	T	Hydrogen-bonded Turn	trans	73.4	-5.7	-177.4	-50.1	178.3	177.1	-168.2	0	116.3	A39 L40 H41 Y57 T58	A39-K60 HydrophobicContact CB-CB 4.47Å; A39-K60 HydrophobicContact CB-CD 3.72Å; A39-K60 WeakPolarHBondContact O-CD 3.28Å; A39-K60 WeakPolarHBondContact O-CE 3.47Å; A39-K60 PolarHBondContact O-NZ 2.85Å; L40-K60 WeakPolarHBondContact O-CB 3.22Å; L40-K60 WeakPolarHBondContact O-CG 3.36Å; H41-K60 WeakPolarHBondContact CD2-CG 2.94Å; H41-K60 WeakPolarHBondContact CE1-CE 3.23Å; H41-K60 WeakPolarHBondContact ND1-CE 2.92Å; H41-K60 WeakPolarHBondContact NE2-CE 3.2Å; Y57-K60 WeakPolarHBondContact OH-CA 2.85Å; Y57-K60 PolarHBondContact OH-N 3.46Å; T58-K60 PolarHBondContact O-N 2.98Å
61	F	94.1	Very high	92.6	Very high	45 Å²	45	57.8 Å²	57.8	20%	0.197	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	136.5	-178.6	-62.7	-72.7	0	0	0	112.1	Y57 T58 N59 L63 V107 K148 L149 M150	Y57-F61 CarbonylContact C-O 3.52Å; Y57-F61 VanDerWaalsContact CA-O 3.31Å; Y57-F61 WeakPolarHBondContact CA-O 3.37Å; Y57-F61 VanDerWaalsContact CD2-O 3.24Å; Y57-F61 WeakPolarHBondContact CD2-O 3.45Å; T58-F61 PolarHBondContact N-O 2.8Å; T58-F61 WeakPolarHBondContact O-CB 3.46Å; T58-F61 PolarHBondContact O-N 2.86Å; N59-F61 WeakPolarHBondContact O-CD2 3.39Å; N59-F61 PolarHBondContact O-N 3.5Å; F61-L63 HydrophobicContact CB-CD1 3.97Å; F61-V107 HydrophobicContact CE1-CG2 4.15Å; F61-K148 HydrophobicContact CB-CB 4.11Å; F61-K148 HydrophobicContact CB-CG 4.21Å; F61-K148 HydrophobicContact CD1-CB 3.73Å; F61-K148 HydrophobicContact CE1-CB 4.39Å; F61-K148 HydrophobicContact CG-CB 4.06Å; F61-K148 HydrophobicContact CG-CD 4.45Å; F61-K148 HydrophobicContact CG-CG 4.37Å; F61-L149 CarbonylContact C-O 3.59Å; F61-L149 VanDerWaalsContact CA-O 3.31Å; F61-L149 WeakPolarHBondContact CA-O 3.45Å; F61-M150 HydrophobicContact CD1-CB 3.96Å; F61-M150 HydrophobicContact CD1-CG 4.33Å; F61-M150 HydrophobicContact CD1-SD 4.29Å; F61-M150 HydrophobicContact CE1-CB 4.09Å; F61-M150 HydrophobicContact CE1-CE 3.48Å; F61-M150 VanDerWaalsContact CE1-CE 3.48Å; F61-M150 HydrophobicContact CE1-CG 4.01Å; F61-M150 HydrophobicContact CE1-SD 3.47Å; F61-M150 WeakPolarHBondContact CE1-SD 3.42Å; F61-M150 HydrophobicContact CZ-CE 4.01Å; F61-M150 HydrophobicContact CZ-SD 3.97Å
62	L	94.4	Very high	93.2	Very high	2 Å²	2	55.7 Å²	55.7	1%	0.01	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	116.8	161.2	-173.5	70.1	0	0	0	108.2	L20 M55 K148 L149 F169 A171	L20-L62 HydrophobicContact CD1-CD1 3.85Å; L20-L62 HydrophobicContact CD1-CD2 3.81Å; L20-L62 HydrophobicContact CD1-CG 4.49Å; M55-L62 HydrophobicContact CE-CD2 3.96Å; M55-L62 HydrophobicContact CE-CG 4.27Å; M55-L62 HydrophobicContact CG-CD1 3.53Å; M55-L62 HydrophobicContact CG-CG 4.14Å; M55-L62 HydrophobicContact SD-CD1 3.88Å; M55-L62 HydrophobicContact SD-CD2 4.16Å; M55-L62 HydrophobicContact SD-CG 3.78Å; L62-K148 WeakPolarHBondContact O-CA 3.41Å; L62-L149 HydrophobicContact CB-CB 4.29Å; L62-L149 PolarHBondContact N-O 2.88Å; L62-L149 PolarHBondContact O-N 2.86Å; L62-F169 HydrophobicContact CB-CE1 3.83Å; L62-F169 HydrophobicContact CB-CZ 4.17Å; L62-F169 HydrophobicContact CD2-CE1 4.07Å; L62-F169 HydrophobicContact CD2-CZ 3.95Å; L62-A171 HydrophobicContact CD2-CB 3.83Å
63	L	95.2	Very high	93.7	Very high	56 Å²	56	51 Å²	51	29%	0.293	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	124.7	-177.1	-78.3	72.3	0	0	0	109.9	N56 F61 P65 K148	N56-L63 HydrophobicContact CB-CB 4.43Å; N56-L63 PolarHBondContact O-N 2.6Å; F61-L63 HydrophobicContact CB-CD1 3.97Å; L63-P65 WeakPolarHBondContact O-CD 3.36Å; L63-K148 HydrophobicContact CD1-CG 4.47Å; L63-K148 HydrophobicContact CG-CG 4.17Å
64	I	95.8	Very high	94.2	Very high	3 Å²	3	45.2 Å²	45.2	2%	0.015	23%	0.23	C	C	.	.	P	Polyproline II helix	trans	-77.1	118.2	177.7	-59.9	-56.2	0	0	0	109.8	M55 E66 Y70 L143 Q144 G146 D147 L149	M55-I64 HydrophobicContact CE-CD1 4.37Å; M55-I64 HydrophobicContact SD-CD1 4.35Å; I64-E66 WeakPolarHBondContact CG2-O 3.47Å; I64-Y70 HydrophobicContact CD1-CD1 4.22Å; I64-Y70 HydrophobicContact CD1-CE1 4.19Å; I64-Y70 HydrophobicContact CG2-CD2 4.45Å; I64-Y70 HydrophobicContact CG2-CE2 3.72Å; I64-L143 HydrophobicContact CD1-CD1 3.52Å; I64-L143 HydrophobicContact CG1-CB 4.24Å; I64-L143 HydrophobicContact CG1-CD1 3.69Å; I64-L143 HydrophobicContact CG2-CB 4.13Å; I64-Q144 WeakPolarHBondContact CG2-O 3.2Å; I64-G146 PolarHBondContact O-N 2.97Å; I64-D147 HydrophobicContact CB-CB 4.3Å; I64-D147 WeakPolarHBondContact CB-O 3.48Å; I64-D147 HydrophobicContact CG1-CB 4.1Å; I64-D147 WeakPolarHBondContact CG1-O 3.35Å; I64-D147 PolarHBondContact N-O 3.38Å; I64-L149 HydrophobicContact CD1-CD1 3.85Å; I64-L149 HydrophobicContact CD1-CG 4.26Å; I64-L149 HydrophobicContact CG1-CG 4.43Å
65	P	94.9	Very high	94.5	Very high	20 Å²	20	39.3 Å²	39.3	13%	0.13	21%	0.21	C	C	.	.			trans	-90.3	-8.8	-174	36.3	-38	0	0	0	114.4	R54 L63	R54-P65 HydrophobicContact CB-CB 3.74Å; R54-P65 HydrophobicContact CB-CG 4.34Å; R54-P65 WeakPolarHBondContact O-CB 3.37Å; L63-P65 WeakPolarHBondContact O-CD 3.36Å
66	E	95.4	Very high	94.8	Very high	79 Å²	79	38.6 Å²	38.6	37%	0.369	21%	0.206	S	C	.	.	S	Bend	trans	-152.7	137.5	-174.3	-173.8	171.8	154.4	0	0	109.4	R54 I64 Y70	R54-E66 IonicContact NH2-OE2 2.69Å; R54-E66 PolarHBondContact NH2-OE2 2.97Å; R54-E66 VanDerWaalsContact NH2-OE2 3.13Å; I64-E66 WeakPolarHBondContact CG2-O 3.47Å; E66-Y70 VanDerWaalsContact O-CE2 3.23Å; E66-Y70 WeakPolarHBondContact O-CE2 3.44Å; E66-Y70 PolarHBondContact O-OH 2.97Å
67	S	96.8	Very high	95	Very high	55 Å²	55	35.5 Å²	35.5	39%	0.385	19%	0.19	S	C	.	.			trans	-70.6	135.1	174.6	-61.3	0	0	0	0	111	L143 Q144 E145	S67-L143 VanDerWaalsContact CA-O 3.31Å; S67-L143 WeakPolarHBondContact CA-O 3.25Å; S67-Q144 WeakPolarHBondContact OG-CA 3.39Å; S67-Q144 PolarHBondContact OG-OE1 3.01Å; S67-E145 PolarHBondContact OG-N 2.97Å
68	G	96.1	Very high	95.2	Very high	23 Å²	23	34.4 Å²	34.4	24%	0.237	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	166.7	-172.1	179.1	0	0	0	0	0	113.4	Y70 S142 L143	G68-Y70 WeakPolarHBondContact O-CD2 3.5Å; G68-S142 WeakPolarHBondContact O-CA 3.36Å; G68-L143 PolarHBondContact N-O 3.35Å; G68-L143 PolarHBondContact O-N 3.26Å
69	D	97	Very high	95.2	Very high	70 Å²	70	34.5 Å²	34.5	37%	0.374	18%	0.178	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	116.3	178.1	-65.5	-41.7	0	0	0	110.2	M140 S142 L174	D69-M140 HydrophobicContact CB-CG 4.22Å; D69-M140 HydrophobicContact CB-SD 4.18Å; D69-S142 WeakPolarHBondContact OD1-CA 3.31Å; D69-S142 WeakPolarHBondContact OD1-CB 3.38Å; D69-S142 PolarHBondContact OD1-OG 3.2Å; D69-L174 HydrophobicContact CB-CD1 4.32Å; D69-L174 WeakPolarHBondContact O-CB 3.49Å; D69-L174 PolarHBondContact O-N 3.09Å
70	Y	96.2	Very high	95	Very high	6 Å²	6	29.4 Å²	29.4	2%	0.024	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	132.5	179.7	-75.2	-103.7	0	0	0	110.3	M55 I64 E66 G68 M140 F141 L143 F172 L173	M55-Y70 HydrophobicContact CE-CD1 4.37Å; M55-Y70 HydrophobicContact CE-CE1 4.03Å; I64-Y70 HydrophobicContact CD1-CD1 4.22Å; I64-Y70 HydrophobicContact CD1-CE1 4.19Å; I64-Y70 HydrophobicContact CG2-CD2 4.45Å; I64-Y70 HydrophobicContact CG2-CE2 3.72Å; E66-Y70 VanDerWaalsContact O-CE2 3.23Å; E66-Y70 WeakPolarHBondContact O-CE2 3.44Å; E66-Y70 PolarHBondContact O-OH 2.97Å; G68-Y70 WeakPolarHBondContact O-CD2 3.5Å; Y70-M140 CarbonylContact O-C 3.55Å; Y70-M140 VanDerWaalsContact O-CA 3.3Å; Y70-M140 WeakPolarHBondContact O-CA 3.23Å; Y70-F141 PolarHBondContact N-O 2.85Å; Y70-F141 PolarHBondContact O-N 3.25Å; Y70-L143 HydrophobicContact CD2-CB 3.94Å; Y70-L143 HydrophobicContact CD2-CD1 3.92Å; Y70-L143 HydrophobicContact CD2-CG 4.16Å; Y70-L143 HydrophobicContact CE2-CB 4.42Å; Y70-L143 HydrophobicContact CG-CD1 3.85Å; Y70-L143 HydrophobicContact CG-CG 4.48Å; Y70-F172 CarbonylContact C-O 3.43Å; Y70-F172 WeakPolarHBondContact CA-O 3.25Å; Y70-F172 VanDerWaalsContact CD1-C 3.41Å; Y70-L173 HydrophobicContact CD1-CB 4.17Å; Y70-L173 HydrophobicContact CD2-CD1 3.97Å; Y70-L173 HydrophobicContact CE1-CB 3.7Å; Y70-L173 HydrophobicContact CE1-CD1 4.44Å; Y70-L173 HydrophobicContact CE2-CB 4.34Å; Y70-L173 HydrophobicContact CE2-CD1 3.52Å; Y70-L173 HydrophobicContact CE2-CG 4.46Å
71	F	96.5	Very high	94.4	Very high	60 Å²	60	34.7 Å²	34.7	26%	0.263	18%	0.181	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	121.1	161	-171.6	-93.9	0	0	0	108.7	Y73 A171 F172 L174	F71-Y73 AromaticContact CD1-CD1 3.89Å; F71-Y73 HydrophobicContact CD1-CD1 3.89Å; F71-Y73 AromaticContact CE1-CD1 3.96Å; F71-Y73 HydrophobicContact CE1-CD1 3.96Å; F71-Y73 HydrophobicContact CE1-CG 4.33Å; F71-A171 CarbonylContact O-C 3.6Å; F71-A171 VanDerWaalsContact O-CA 3.22Å; F71-A171 WeakPolarHBondContact O-CA 3.34Å; F71-F172 HydrophobicContact CB-CD1 4.33Å; F71-F172 HydrophobicContact CB-CD2 4.16Å; F71-F172 HydrophobicContact CB-CE1 3.85Å; F71-F172 HydrophobicContact CB-CE2 3.68Å; F71-F172 HydrophobicContact CB-CG 4.48Å; F71-F172 HydrophobicContact CB-CZ 3.51Å; F71-F172 HydrophobicContact CD1-CD1 4.4Å; F71-F172 AromaticContact CD1-CE1 3.51Å; F71-F172 HydrophobicContact CD1-CE1 3.51Å; F71-F172 AromaticContact CD1-CZ 3.68Å; F71-F172 HydrophobicContact CD1-CZ 3.68Å; F71-F172 HydrophobicContact CE1-CE1 4.46Å; F71-F172 HydrophobicContact CG-CE1 4.05Å; F71-F172 HydrophobicContact CG-CE2 4.44Å; F71-F172 AromaticContact CG-CZ 3.81Å; F71-F172 HydrophobicContact CG-CZ 3.81Å; F71-F172 PolarHBondContact N-O 3.05Å; F71-F172 PolarHBondContact O-N 2.69Å; F71-L174 HydrophobicContact CB-CD2 4.49Å
72	I	96.9	Very high	93.3	Very high	0 Å²	0	36 Å²	36	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	138.2	-179	-48	171.7	0	0	0	108	I104 L117 G138 A139 F141 L143 L149 F169 G170 A171	I72-I104 HydrophobicContact CG2-CD1 4.13Å; I72-I104 HydrophobicContact CG2-CG2 3.97Å; I72-L117 HydrophobicContact CD1-CD1 3.52Å; I72-G138 CarbonylContact O-C 3.53Å; I72-G138 WeakPolarHBondContact O-CA 3.39Å; I72-A139 PolarHBondContact N-O 3.45Å; I72-A139 PolarHBondContact O-N 2.81Å; I72-F141 HydrophobicContact CD1-CB 4.24Å; I72-F141 HydrophobicContact CD1-CD2 3.67Å; I72-F141 HydrophobicContact CD1-CE2 4.49Å; I72-F141 HydrophobicContact CD1-CG 4.32Å; I72-F141 HydrophobicContact CG1-CD2 4.28Å; I72-L143 HydrophobicContact CD1-CD1 3.96Å; I72-L143 HydrophobicContact CD1-CD2 4.49Å; I72-L143 HydrophobicContact CG1-CD1 4.49Å; I72-L149 HydrophobicContact CD1-CD1 3.76Å; I72-L149 HydrophobicContact CD1-CD2 4.07Å; I72-L149 HydrophobicContact CG1-CD1 4.11Å; I72-L149 HydrophobicContact CG2-CD1 4.24Å; I72-F169 HydrophobicContact CG2-CE2 3.79Å; I72-G170 WeakPolarHBondContact CA-O 3.03Å; I72-A171 HydrophobicContact CG1-CB 4.23Å; I72-A171 HydrophobicContact CG2-CB 4.4Å
73	Y	97	Very high	91.8	Very high	15 Å²	15	36 Å²	36	6%	0.059	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.7	153.3	177.7	61.9	-84.9	0	0	0	112.4	F19 L20 F71 L137 F168 F169 G170 F172	F19-Y73 VanDerWaalsContact CA-OH 3.28Å; F19-Y73 WeakPolarHBondContact CA-OH 3.27Å; L20-Y73 PolarHBondContact N-OH 3.47Å; F71-Y73 AromaticContact CD1-CD1 3.89Å; F71-Y73 HydrophobicContact CD1-CD1 3.89Å; F71-Y73 AromaticContact CE1-CD1 3.96Å; F71-Y73 HydrophobicContact CE1-CD1 3.96Å; F71-Y73 HydrophobicContact CE1-CG 4.33Å; Y73-L137 CarbonylContact C-O 3.52Å; Y73-L137 WeakPolarHBondContact CA-O 3.42Å; Y73-F168 HydrophobicContact CD2-CD2 4.07Å; Y73-F168 AromaticContact CD2-CE2 3.99Å; Y73-F168 HydrophobicContact CD2-CE2 3.99Å; Y73-F168 HydrophobicContact CE2-CD2 4.03Å; Y73-F168 HydrophobicContact CE2-CE2 4.21Å; Y73-F169 CarbonylContact O-C 3.58Å; Y73-F169 WeakPolarHBondContact O-CA 3.41Å; Y73-F169 WeakPolarHBondContact O-CD2 3.13Å; Y73-G170 PolarHBondContact N-O 2.98Å; Y73-G170 PolarHBondContact O-N 3.35Å; Y73-G170 VanDerWaalsContact O-O 3.12Å; Y73-F172 HydrophobicContact CD1-CE1 4.43Å; Y73-F172 HydrophobicContact CE1-CD1 4.05Å; Y73-F172 HydrophobicContact CE1-CE1 4.12Å
74	S	96.8	Very high	90.3	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.1	143.7	170.8	-177	0	0	0	0	110.4	Y136 L137 F168	S74-Y136 CarbonylContact O-C 3.51Å; S74-Y136 WeakPolarHBondContact O-CA 3.44Å; S74-L137 PolarHBondContact N-O 2.84Å; S74-L137 PolarHBondContact O-N 2.87Å; S74-F168 CarbonylContact C-O 3.57Å; S74-F168 WeakPolarHBondContact CA-O 3.29Å; S74-F168 WeakPolarHBondContact CB-O 3.32Å; S74-F168 PolarHBondContact OG-O 2.82Å
75	Q	96.7	Very high	88.7	Confident	42 Å²	42	39.3 Å²	39.3	20%	0.196	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	136.1	160.9	-168.6	170.5	-89.7	0	0	109.1	P134 I135 Y136 K166 T167 F168	Q75-P134 HydrophobicContact CG-CB 4.1Å; Q75-I135 CarbonylContact C-O 3.47Å; Q75-I135 VanDerWaalsContact CA-O 3.31Å; Q75-I135 WeakPolarHBondContact CA-O 3.31Å; Q75-Y136 HydrophobicContact CB-CD2 4.06Å; Q75-K166 PolarHBondContact NE2-O 2.85Å; Q75-T167 CarbonylContact O-C 3.57Å; Q75-T167 WeakPolarHBondContact O-CA 3.33Å; Q75-F168 HydrophobicContact CB-CD1 4.01Å; Q75-F168 HydrophobicContact CB-CD2 4.14Å; Q75-F168 HydrophobicContact CB-CE1 3.52Å; Q75-F168 HydrophobicContact CB-CE2 3.66Å; Q75-F168 HydrophobicContact CB-CG 4.3Å; Q75-F168 HydrophobicContact CB-CZ 3.32Å; Q75-F168 HydrophobicContact CG-CE1 4.27Å; Q75-F168 HydrophobicContact CG-CZ 4.28Å; Q75-F168 PolarHBondContact N-O 2.86Å; Q75-F168 PolarHBondContact O-N 2.04Å; Q75-F168 VanDerWaalsContact O-O 3.05Å
76	V	96.4	Very high	86.9	Confident	0 Å²	0	41.2 Å²	41.2	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	120.1	166.2	-175.2	0	0	0	0	108.4	L40 F78 V102 P134 I135 V151 V153 V159 T167	L40-V76 HydrophobicContact CD1-CG2 4.06Å; V76-F78 HydrophobicContact CB-CE2 3.86Å; V76-F78 HydrophobicContact CB-CZ 4.32Å; V76-F78 HydrophobicContact CG1-CD2 4.1Å; V76-F78 HydrophobicContact CG1-CE1 4.34Å; V76-F78 HydrophobicContact CG1-CE2 3.59Å; V76-F78 HydrophobicContact CG1-CZ 3.74Å; V76-V102 HydrophobicContact CB-CG2 3.68Å; V76-V102 HydrophobicContact CG1-CG2 4.48Å; V76-V102 HydrophobicContact CG2-CG1 3.85Å; V76-V102 HydrophobicContact CG2-CG2 3.82Å; V76-P134 CarbonylContact O-C 3.45Å; V76-P134 WeakPolarHBondContact O-CA 3.36Å; V76-I135 PolarHBondContact N-O 2.96Å; V76-I135 PolarHBondContact O-N 2.78Å; V76-V151 HydrophobicContact CG2-CG1 4.26Å; V76-V153 HydrophobicContact CG1-CG1 4.13Å; V76-V153 HydrophobicContact CG2-CG1 4.24Å; V76-V159 HydrophobicContact CG1-CB 4.49Å; V76-V159 HydrophobicContact CG1-CG1 3.89Å; V76-V159 HydrophobicContact CG1-CG2 3.92Å; V76-T167 HydrophobicContact CB-CG2 4.39Å; V76-T167 HydrophobicContact CG1-CG2 4.17Å; V76-T167 HydrophobicContact CG2-CG2 4.3Å
77	T	95.4	Very high	85.1	Confident	13 Å²	13	43.5 Å²	43.5	8%	0.08	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	123.2	171.1	-64.2	0	0	0	0	109.1	D160 K166 T167	T77-D160 HydrophobicContact CG2-CB 4.05Å; T77-D160 WeakPolarHBondContact O-CB 3.24Å; T77-D160 PolarHBondContact O-N 2.95Å; T77-K166 WeakPolarHBondContact CB-O 3.29Å; T77-K166 PolarHBondContact OG1-O 2.74Å; T77-T167 PolarHBondContact N-OG1 2.83Å; T77-T167 VanDerWaalsContact N-OG1 3.13Å
78	F	93.6	Very high	83.1	Confident	0 Å²	0	48.1 Å²	48.1	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	150.1	172.5	-65.9	-94.3	0	0	0	110.1	V76 I100 V102 W131 F132 Q133 I135 V153 L158 V159	V76-F78 HydrophobicContact CB-CE2 3.86Å; V76-F78 HydrophobicContact CB-CZ 4.32Å; V76-F78 HydrophobicContact CG1-CD2 4.1Å; V76-F78 HydrophobicContact CG1-CE1 4.34Å; V76-F78 HydrophobicContact CG1-CE2 3.59Å; V76-F78 HydrophobicContact CG1-CZ 3.74Å; F78-I100 HydrophobicContact CB-CD1 3.89Å; F78-I100 HydrophobicContact CB-CG2 4.04Å; F78-I100 HydrophobicContact CD1-CB 4.06Å; F78-I100 HydrophobicContact CD1-CG2 3.71Å; F78-I100 HydrophobicContact CD2-CB 4.01Å; F78-I100 HydrophobicContact CD2-CD1 3.71Å; F78-I100 HydrophobicContact CD2-CG1 4.36Å; F78-I100 HydrophobicContact CD2-CG2 4.37Å; F78-I100 HydrophobicContact CE1-CB 4.24Å; F78-I100 HydrophobicContact CE1-CG2 4.23Å; F78-I100 HydrophobicContact CE2-CB 4.18Å; F78-I100 HydrophobicContact CE2-CD1 4.47Å; F78-I100 HydrophobicContact CG-CB 3.94Å; F78-I100 HydrophobicContact CG-CD1 3.92Å; F78-I100 HydrophobicContact CG-CG2 3.78Å; F78-I100 HydrophobicContact CZ-CB 4.29Å; F78-V102 HydrophobicContact CE2-CG2 3.55Å; F78-V102 HydrophobicContact CZ-CG2 3.86Å; F78-W131 HydrophobicContact CB-CH2 3.93Å; F78-W131 HydrophobicContact CB-CZ3 3.63Å; F78-F132 CarbonylContact O-C 3.57Å; F78-F132 VanDerWaalsContact O-CA 3.24Å; F78-F132 WeakPolarHBondContact O-CA 3.11Å; F78-Q133 PolarHBondContact N-O 3.5Å; F78-Q133 PolarHBondContact O-N 2.78Å; F78-I135 HydrophobicContact CD2-CD1 4.48Å; F78-I135 HydrophobicContact CE2-CD1 4.12Å; F78-V153 HydrophobicContact CE1-CB 4.2Å; F78-V153 HydrophobicContact CE1-CG1 4.43Å; F78-V153 HydrophobicContact CZ-CB 4.03Å; F78-V153 HydrophobicContact CZ-CG1 3.92Å; F78-L158 CarbonylContact C-O 3.48Å; F78-L158 VanDerWaalsContact CA-O 3.25Å; F78-L158 WeakPolarHBondContact CA-O 3.37Å; F78-L158 HydrophobicContact CD1-CB 3.88Å; F78-V159 HydrophobicContact CD1-CG2 4.26Å; F78-V159 HydrophobicContact CE1-CG2 3.93Å
79	R	90.9	Very high	81.1	Confident	73 Å²	73	53.9 Å²	53.9	28%	0.275	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	142.9	174.4	65.1	-179.7	180	173.3	1.6	110.5	W131 F132 L158 D160 T162	R79-W131 VanDerWaalsContact CA-O 3.24Å; R79-W131 WeakPolarHBondContact CA-O 3.49Å; R79-F132 HydrophobicContact CB-CD1 3.28Å; R79-F132 HydrophobicContact CB-CE1 3.31Å; R79-F132 HydrophobicContact CB-CG 4.12Å; R79-F132 HydrophobicContact CB-CZ 4.17Å; R79-F132 HydrophobicContact CG-CD1 4.39Å; R79-F132 HydrophobicContact CG-CE1 4.11Å; R79-L158 PolarHBondContact N-O 2.95Å; R79-L158 WeakPolarHBondContact O-CA 3.03Å; R79-L158 WeakPolarHBondContact O-CD2 2.96Å; R79-D160 HydrophobicContact CG-CB 4.18Å; R79-D160 IonicContact CZ-OD1 3.96Å; R79-D160 IonicContact NE-OD1 2.79Å; R79-D160 IonicContact NH1-OD1 3.86Å; R79-T162 VanDerWaalsContact NH1-CG2 3.33Å
80	G	86.4	Confident	79	Confident	14 Å²	14	60.7 Å²	60.7	14%	0.144	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.4	171.8	179.1	0	0	0	0	0	112.5	N130 W131	G80-N130 CarbonylContact O-C 3.57Å; G80-N130 VanDerWaalsContact O-CA 3.3Å; G80-N130 WeakPolarHBondContact O-CA 3.47Å; G80-W131 PolarHBondContact N-O 3.44Å; G80-W131 VanDerWaalsContact N-O 3.08Å; G80-W131 PolarHBondContact O-N 2.78Å
81	M	80.3	Confident	77.1	Confident	152 Å²	152	64.6 Å²	64.6	75%	0.749	33%	0.33	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-84.9	169	170.1	-69.1	177	168.3	0	0	110.2	S83 W131	M81-S83 PolarHBondContact O-N 2.88Å; M81-W131 VanDerWaalsContact O-CD1 3.29Å; M81-W131 PolarHBondContact O-NE1 3.02Å
82	T	70.3	Confident	74.9	Confident	72 Å²	72	64.7 Å²	64.7	44%	0.442	35%	0.349	S	S	.	.			trans	-42.5	125.1	-179.8	-43.7	0	0	0	0	112.5	G128 S129	T82-G128 WeakPolarHBondContact CA-O 3.36Å; T82-G128 VanDerWaalsContact CB-O 3.25Å; T82-G128 WeakPolarHBondContact CB-O 3.46Å; T82-G128 WeakPolarHBondContact CG2-O 3.47Å; T82-G128 PolarHBondContact OG1-O 2.82Å; T82-S129 PolarHBondContact N-O 2.85Å; T82-S129 WeakPolarHBondContact OG1-CA 3.49Å; T82-S129 PolarHBondContact OG1-O 3.35Å
83	S	63.3	Low	72.5	Confident	4 Å²	4	74.4 Å²	74.4	3%	0.028	39%	0.385	C	S	.	.			trans	-75	138.6	170.4	55.9	0	0	0	0	109.9	M81 C85 E126	M81-S83 PolarHBondContact O-N 2.88Å; S83-C85 PolarHBondContact O-N 3.11Å; S83-E126 PolarHBondContact OG-N 2.8Å; S83-E126 PolarHBondContact OG-O 2.73Å
84	E	63.2	Low	70.4	Confident	102 Å²	102	79.5 Å²	79.5	48%	0.477	42%	0.42	S	S	.	.	G	3₁₀ helix	trans	-65.1	7.5	172.1	-64.9	-167.1	176.3	0	0	113	S86 E87 R89 N95	E84-S86 PolarHBondContact O-N 3.48Å; E84-S86 VanDerWaalsContact O-N 3.15Å; E84-E87 PolarHBondContact O-N 3.24Å; E84-E87 VanDerWaalsContact O-N 3.08Å; E84-R89 IonicContact OE2-CZ 3.83Å; E84-R89 IonicContact OE2-NE 3.95Å; E84-R89 IonicContact OE2-NH2 2.86Å; E84-R89 PolarHBondContact OE2-NH2 2.69Å; E84-N95 PolarHBondContact O-ND2 2.81Å
85	C	61.9	Low	68.5	Low	25 Å²	25	81.3 Å²	81.3	17%	0.169	43%	0.43	C	S	.	.	G	3₁₀ helix	trans	-57.4	-30.2	-174.6	-174.8	0	0	0	0	113.5	S83 C125	S83-C85 PolarHBondContact O-N 3.11Å; C85-C125 HydrophobicContact CB-CB 3.85Å; C85-C125 WeakPolarHBondContact CB-SG 2.92Å; C85-C125 WeakPolarHBondContact SG-CB 3.37Å; C85-C125 CovalentContact SG-SG 2.04Å; C85-C125 PolarHBondContact SG-SG 3.46Å
86	S	57.2	Low	66.6	Low	60 Å²	60	88.3 Å²	88.3	42%	0.42	46%	0.46	S	S	.	.	G	3₁₀ helix	trans	-92.2	-6.2	178.7	58.1	0	0	0	0	115.1	E84 I88	E84-S86 PolarHBondContact O-N 3.48Å; E84-S86 VanDerWaalsContact O-N 3.15Å; S86-I88 PolarHBondContact O-N 2.98Å
87	E	57.8	Low	64.9	Low	128 Å²	128	90.8 Å²	90.8	60%	0.598	48%	0.476	S	S	*	.			trans	-81.5	111.7	177.8	-66.2	-157.6	171.3	0	0	110.4	E84 R89	E84-E87 PolarHBondContact O-N 3.24Å; E84-E87 VanDerWaalsContact O-N 3.08Å; E87-R89 PolarHBondContact O-N 2.88Å
88	I	55.1	Low	64.2	Low	151 Å²	151	94.8 Å²	94.8	77%	0.774	50%	0.497	S	S	*	.			trans	-68.4	99	169.9	-58.4	172.4	0	0	0	107.1	S86	S86-I88 PolarHBondContact O-N 2.98Å
89	R	54.2	Low	64	Low	145 Å²	145	98 Å²	98	55%	0.547	52%	0.52	S	S	.	.			trans	-58.6	143	166.6	-68.2	-169.1	171.9	-154.9	1	108.4	E84 E87 A91 G92	E84-R89 IonicContact OE2-CZ 3.83Å; E84-R89 IonicContact OE2-NE 3.95Å; E84-R89 IonicContact OE2-NH2 2.86Å; E84-R89 PolarHBondContact OE2-NH2 2.69Å; E87-R89 PolarHBondContact O-N 2.88Å; R89-A91 PolarHBondContact O-N 2.69Å; R89-G92 PolarHBondContact O-N 2.58Å
90	Q	53.7	Low	64.1	Low	212 Å²	212	94.7 Å²	94.7	99%	0.991	51%	0.507	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.8	-3.8	-175.4	-67.2	179.7	-12.3	0	0	116
91	A	56	Low	64.6	Low	88 Å²	88	94.2 Å²	94.2	73%	0.727	50%	0.502	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106.9	11.1	179.4	0	0	0	0	0	115.1	R89 R93	R89-A91 PolarHBondContact O-N 2.69Å; A91-R93 PolarHBondContact O-N 3.48Å; A91-R93 VanDerWaalsContact O-N 3.09Å
92	G	49.8	Very low	65.4	Low	63 Å²	63	87 Å²	87	65%	0.649	47%	0.466	S	S	*	.	S	Bend	trans	66.8	13.4	171.6	0	0	0	0	0	115.9	R89	R89-G92 PolarHBondContact O-N 2.58Å
93	R	47.6	Very low	66.7	Low	204 Å²	204	83.6 Å²	83.6	77%	0.77	45%	0.445	S	S	*	.	P	Polyproline II helix	trans	-94	122.6	171.3	-87.7	-175.4	172.6	-178.1	-1.2	109.7	A91	A91-R93 PolarHBondContact O-N 3.48Å; A91-R93 VanDerWaalsContact O-N 3.09Å
94	P	51.7	Low	68.3	Low	122 Å²	122	83.4 Å²	83.4	79%	0.792	44%	0.444	S	S	*	.	P	Polyproline II helix	trans	-62	138.3	170.6	25.3	-31.2	0	0	0	109.6
95	N	57.6	Low	69.9	Low	37 Å²	37	79 Å²	79	20%	0.198	42%	0.423	C	S	.	.	P	Polyproline II helix	trans	-64.2	143.3	172.5	-83.3	-20.1	0	0	0	109.6	E84	E84-N95 PolarHBondContact O-ND2 2.81Å
96	K	56.2	Low	71.5	Confident	189 Å²	189	79.5 Å²	79.5	82%	0.822	42%	0.423	S	S	*	.	P	Polyproline II helix	trans	-65.3	126.2	172	-174.8	-179.7	177.7	-176	0	107.3
97	P	61.8	Low	73.3	Confident	53 Å²	53	78 Å²	78	34%	0.344	41%	0.411	S	S	.	.	P	Polyproline II helix	trans	-61.9	140.8	177	25.4	-33	0	0	0	109.4	C125	P97-C125 HydrophobicContact CB-CB 4.35Å
98	D	79.6	Confident	74.9	Confident	97 Å²	97	73 Å²	73	52%	0.519	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.9	151.8	170.4	-69.2	-38.6	0	0	0	108.8	S123 V124	D98-S123 CarbonylContact O-C 3.57Å; D98-S123 WeakPolarHBondContact O-CA 3.39Å; D98-V124 HydrophobicContact CB-CB 4.47Å; D98-V124 PolarHBondContact N-O 2.83Å; D98-V124 PolarHBondContact O-N 2.88Å
99	S	89.1	Confident	76.4	Confident	68 Å²	68	72 Å²	72	48%	0.476	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	135.9	176.2	65.6	0	0	0	0	111.8	K122 S154	S99-K122 VanDerWaalsContact CA-O 3.29Å; S99-K122 WeakPolarHBondContact CA-O 3.28Å; S99-S154 PolarHBondContact O-OG 3.29Å
100	I	93.6	Very high	77.7	Confident	2 Å²	2	70.1 Å²	70.1	1%	0.01	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	134.1	171.7	52.1	171.6	0	0	0	108.6	F78 T121 K122 V124 W131 Q133 I135 S154 L158	F78-I100 HydrophobicContact CB-CD1 3.89Å; F78-I100 HydrophobicContact CB-CG2 4.04Å; F78-I100 HydrophobicContact CD1-CB 4.06Å; F78-I100 HydrophobicContact CD1-CG2 3.71Å; F78-I100 HydrophobicContact CD2-CB 4.01Å; F78-I100 HydrophobicContact CD2-CD1 3.71Å; F78-I100 HydrophobicContact CD2-CG1 4.36Å; F78-I100 HydrophobicContact CD2-CG2 4.37Å; F78-I100 HydrophobicContact CE1-CB 4.24Å; F78-I100 HydrophobicContact CE1-CG2 4.23Å; F78-I100 HydrophobicContact CE2-CB 4.18Å; F78-I100 HydrophobicContact CE2-CD1 4.47Å; F78-I100 HydrophobicContact CG-CB 3.94Å; F78-I100 HydrophobicContact CG-CD1 3.92Å; F78-I100 HydrophobicContact CG-CG2 3.78Å; F78-I100 HydrophobicContact CZ-CB 4.29Å; I100-T121 CarbonylContact O-C 3.59Å; I100-T121 WeakPolarHBondContact O-CA 3.33Å; I100-K122 HydrophobicContact CD1-CB 4.31Å; I100-K122 HydrophobicContact CG1-CB 3.96Å; I100-K122 PolarHBondContact N-O 2.93Å; I100-K122 PolarHBondContact O-N 2.9Å; I100-V124 HydrophobicContact CD1-CG2 3.98Å; I100-V124 HydrophobicContact CG1-CG2 3.76Å; I100-V124 HydrophobicContact CG2-CG2 4.15Å; I100-W131 HydrophobicContact CD1-CZ3 4.28Å; I100-W131 HydrophobicContact CG2-CH2 3.83Å; I100-W131 HydrophobicContact CG2-CZ3 4.41Å; I100-Q133 HydrophobicContact CD1-CB 4.04Å; I100-I135 HydrophobicContact CB-CD1 4.4Å; I100-I135 HydrophobicContact CD1-CD1 3.98Å; I100-I135 HydrophobicContact CD1-CG1 4.39Å; I100-I135 HydrophobicContact CG1-CD1 3.87Å; I100-S154 WeakPolarHBondContact CA-OG 3.36Å; I100-L158 HydrophobicContact CG2-CD1 4.24Å
101	T	96.3	Very high	79	Confident	5 Å²	5	66.6 Å²	66.6	3%	0.031	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	139.9	-178.7	-60.1	0	0	0	0	110.3	F37 V103 M119 G120 T121 V153 S154	F37-T101 HydrophobicContact CD2-CG2 4.33Å; F37-T101 HydrophobicContact CE2-CG2 3.55Å; F37-T101 HydrophobicContact CZ-CG2 4.07Å; T101-V103 HydrophobicContact CG2-CG2 3.85Å; T101-M119 HydrophobicContact CG2-CE 3.85Å; T101-M119 HydrophobicContact CG2-CG 4.22Å; T101-G120 CarbonylContact C-O 3.55Å; T101-G120 VanDerWaalsContact CA-O 3.3Å; T101-G120 WeakPolarHBondContact CA-O 3.38Å; T101-T121 WeakPolarHBondContact CG2-OG1 3.09Å; T101-T121 WeakPolarHBondContact OG1-CG2 3.17Å; T101-T121 PolarHBondContact OG1-OG1 2.79Å; T101-V153 CarbonylContact O-C 3.58Å; T101-V153 VanDerWaalsContact O-CA 3.24Å; T101-V153 WeakPolarHBondContact O-CA 3.13Å; T101-S154 PolarHBondContact N-OG 2.74Å; T101-S154 PolarHBondContact O-N 2.85Å
102	V	97.8	Very high	80	Confident	0 Å²	0	67.8 Å²	67.8	0%	0	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	134.3	167.6	-175.4	0	0	0	0	107.9	V76 F78 M119 G120 I135 L137 V151 N152 V153	V76-V102 HydrophobicContact CB-CG2 3.68Å; V76-V102 HydrophobicContact CG1-CG2 4.48Å; V76-V102 HydrophobicContact CG2-CG1 3.85Å; V76-V102 HydrophobicContact CG2-CG2 3.82Å; F78-V102 HydrophobicContact CE2-CG2 3.55Å; F78-V102 HydrophobicContact CZ-CG2 3.86Å; V102-M119 WeakPolarHBondContact O-CA 3.24Å; V102-G120 PolarHBondContact N-O 2.99Å; V102-G120 PolarHBondContact O-N 2.88Å; V102-I135 HydrophobicContact CB-CG2 4Å; V102-I135 HydrophobicContact CG2-CB 3.76Å; V102-I135 HydrophobicContact CG2-CD1 4.16Å; V102-I135 HydrophobicContact CG2-CG2 3.78Å; V102-L137 HydrophobicContact CB-CD1 4.03Å; V102-L137 HydrophobicContact CG1-CD1 3.95Å; V102-V151 HydrophobicContact CG1-CG1 3.71Å; V102-N152 CarbonylContact C-O 3.56Å; V102-N152 WeakPolarHBondContact CA-O 3.3Å; V102-V153 HydrophobicContact CG2-CG1 4.48Å
103	V	97.8	Very high	81.8	Confident	1 Å²	1	70.6 Å²	70.6	1%	0.006	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	130.9	174.6	-174.2	0	0	0	0	108.8	F37 T101 Q116 L118 M119 V151 N152	F37-V103 HydrophobicContact CD2-CG2 3.76Å; F37-V103 HydrophobicContact CE2-CG2 3.94Å; T101-V103 HydrophobicContact CG2-CG2 3.85Å; V103-Q116 HydrophobicContact CG1-CB 4.06Å; V103-Q116 HydrophobicContact CG1-CG 3.75Å; V103-L118 CarbonylContact C-O 3.52Å; V103-L118 VanDerWaalsContact CA-O 3.27Å; V103-L118 WeakPolarHBondContact CA-O 3.19Å; V103-M119 HydrophobicContact CG2-CB 4.43Å; V103-M119 HydrophobicContact CG2-CG 4.1Å; V103-M119 HydrophobicContact CG2-SD 4.46Å; V103-V151 CarbonylContact O-C 3.48Å; V103-V151 WeakPolarHBondContact O-CA 3.33Å; V103-N152 HydrophobicContact CB-CB 4.35Å; V103-N152 PolarHBondContact N-O 2.95Å; V103-N152 PolarHBondContact O-N 2.93Å
104	I	97.4	Very high	83.8	Confident	0 Å²	0	63.4 Å²	63.4	0%	0	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	122.7	167	-54.2	-171.5	0	0	0	107.4	I72 L117 L118 L137 V151 F169	I72-I104 HydrophobicContact CG2-CD1 4.13Å; I72-I104 HydrophobicContact CG2-CG2 3.97Å; I104-L117 PolarHBondContact O-N 3.26Å; I104-L118 HydrophobicContact CB-CB 4.21Å; I104-L118 HydrophobicContact CD1-CB 4.5Å; I104-L118 HydrophobicContact CD1-CD1 4.08Å; I104-L118 HydrophobicContact CG1-CB 4.32Å; I104-L118 PolarHBondContact N-O 3.24Å; I104-L118 PolarHBondContact O-N 2.88Å; I104-L137 HydrophobicContact CD1-CB 4.32Å; I104-L137 HydrophobicContact CG1-CD1 4.46Å; I104-V151 HydrophobicContact CG1-CG2 4.34Å; I104-F169 HydrophobicContact CG2-CE2 4.42Å
105	T	96	Very high	85.8	Confident	8 Å²	8	60.4 Å²	60.4	5%	0.049	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	139.7	-171.2	-53.4	0	0	0	0	110.2	P114 T115 L149 M150 N152	T105-P114 HydrophobicContact CG2-CB 3.31Å; T105-T115 CarbonylContact C-O 3.55Å; T105-T115 WeakPolarHBondContact CA-O 3.5Å; T105-L149 WeakPolarHBondContact O-CA 3.14Å; T105-M150 HydrophobicContact CG2-CE 4.11Å; T105-M150 PolarHBondContact N-O 3.28Å; T105-M150 PolarHBondContact O-N 2.98Å; T105-N152 WeakPolarHBondContact CB-OD1 3.24Å; T105-N152 PolarHBondContact OG1-OD1 3.24Å
106	K	95.8	Very high	87.6	Confident	37 Å²	37	64.3 Å²	64.3	16%	0.161	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	132.4	170.8	-168.6	-175.8	86.8	145.9	0	110.5	P114 T115 L117 L143 D147 K148 L149	K106-P114 CarbonylContact O-C 3.55Å; K106-P114 WeakPolarHBondContact O-CA 3.21Å; K106-T115 PolarHBondContact N-O 2.91Å; K106-T115 PolarHBondContact O-N 3.02Å; K106-L117 HydrophobicContact CB-CD1 3.98Å; K106-L117 HydrophobicContact CB-CD2 4.01Å; K106-L117 HydrophobicContact CB-CG 3.93Å; K106-L117 HydrophobicContact CD-CD2 4.46Å; K106-L143 HydrophobicContact CD-CD2 3.64Å; K106-L143 HydrophobicContact CG-CD2 4.45Å; K106-D147 HydrophobicContact CD-CB 4.27Å; K106-D147 WeakPolarHBondContact CD-OD2 3.25Å; K106-D147 HydrophobicContact CG-CB 4.22Å; K106-D147 IonicContact NZ-OD1 3.8Å; K106-D147 IonicContact NZ-OD2 3.72Å; K106-D147 PolarHBondContact NZ-OD2 3.08Å; K106-K148 CarbonylContact C-O 3.51Å; K106-K148 WeakPolarHBondContact CA-O 3.27Å; K106-L149 HydrophobicContact CB-CD2 4.11Å; K106-L149 HydrophobicContact CG-CD2 4.09Å
107	V	94.3	Very high	89.5	Confident	28 Å²	28	56.8 Å²	56.8	17%	0.17	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	133	169.6	176.5	0	0	0	0	107.8	F61 P114 K148 M150	F61-V107 HydrophobicContact CE1-CG2 4.15Å; V107-P114 HydrophobicContact CG2-CB 3.96Å; V107-P114 HydrophobicContact CG2-CG 4.19Å; V107-K148 HydrophobicContact CB-CB 4.18Å; V107-K148 PolarHBondContact N-O 2.99Å; V107-K148 PolarHBondContact O-N 2.88Å; V107-M150 HydrophobicContact CG2-CE 3.42Å; V107-M150 VanDerWaalsContact CG2-CE 3.42Å
108	T	92.1	Very high	91.2	Very high	22 Å²	22	55.8 Å²	55.8	14%	0.135	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	142.5	178.6	-173	0	0	0	0	108.2	S110 Y111 D147	T108-S110 WeakPolarHBondContact CG2-OG 3.48Å; T108-S110 PolarHBondContact O-N 2.79Å; T108-S110 PolarHBondContact OG1-OG 2.96Å; T108-S110 VanDerWaalsContact OG1-OG 3.11Å; T108-Y111 PolarHBondContact O-N 2.89Å; T108-D147 WeakPolarHBondContact CB-OD1 3.47Å; T108-D147 PolarHBondContact OG1-OD1 2.75Å
109	D	85.9	Confident	92.1	Very high	131 Å²	131	56 Å²	56	70%	0.701	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69	-19.8	-178.6	-66.1	-25.6	0	0	0	112	Y111 K148	D109-Y111 VanDerWaalsContact C-N 3.31Å; D109-Y111 PolarHBondContact O-N 2.79Å; D109-K148 IonicContact OD1-NZ 3.13Å; D109-K148 PolarHBondContact OD1-NZ 2.87Å; D109-K148 IonicContact OD2-NZ 3.78Å
110	S	82.4	Confident	92.5	Very high	105 Å²	105	53.4 Å²	53.4	73%	0.734	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.9	-15.5	177.2	62.8	0	0	0	0	114.3	T108	T108-S110 WeakPolarHBondContact CG2-OG 3.48Å; T108-S110 PolarHBondContact O-N 2.79Å; T108-S110 PolarHBondContact OG1-OG 2.96Å; T108-S110 VanDerWaalsContact OG1-OG 3.11Å
111	Y	79.3	Confident	92.6	Very high	138 Å²	138	56.7 Å²	56.7	54%	0.541	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	119.6	-176.2	-159.1	-106.4	0	0	0	110.8	T108 D109 E113	T108-Y111 PolarHBondContact O-N 2.89Å; D109-Y111 VanDerWaalsContact C-N 3.31Å; D109-Y111 PolarHBondContact O-N 2.79Å; Y111-E113 VanDerWaalsContact C-N 3.27Å; Y111-E113 HydrophobicContact CD1-CB 4.07Å; Y111-E113 WeakPolarHBondContact CD1-O 3.41Å; Y111-E113 HydrophobicContact CE1-CB 3.76Å; Y111-E113 HydrophobicContact CE1-CG 4.45Å; Y111-E113 PolarHBondContact O-N 3.1Å
112	P	77.6	Confident	92.5	Very high	113 Å²	113	60.6 Å²	60.6	73%	0.734	33%	0.326	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-67.8	-26.7	-170.6	25.7	-33.6	0	0	0	113.3
113	E	87.1	Confident	92.1	Very high	123 Å²	123	64.7 Å²	64.7	58%	0.575	35%	0.354	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-91.2	130.7	-177.5	-62.3	-57.9	140.2	0	0	112	Y111 T115	Y111-E113 VanDerWaalsContact C-N 3.27Å; Y111-E113 HydrophobicContact CD1-CB 4.07Å; Y111-E113 WeakPolarHBondContact CD1-O 3.41Å; Y111-E113 HydrophobicContact CE1-CB 3.76Å; Y111-E113 HydrophobicContact CE1-CG 4.45Å; Y111-E113 PolarHBondContact O-N 3.1Å; E113-T115 PolarHBondContact O-N 2.97Å
114	P	89.9	Confident	91.5	Very high	52 Å²	52	64.6 Å²	64.6	34%	0.338	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.4	134.8	176	-18.6	29.8	0	0	0	112.3	T105 K106 V107	T105-P114 HydrophobicContact CG2-CB 3.31Å; K106-P114 CarbonylContact O-C 3.55Å; K106-P114 WeakPolarHBondContact O-CA 3.21Å; V107-P114 HydrophobicContact CG2-CB 3.96Å; V107-P114 HydrophobicContact CG2-CG 4.19Å
115	T	93.5	Very high	90.6	Very high	59 Å²	59	67.7 Å²	67.7	36%	0.362	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	124.5	176.9	-55.6	0	0	0	0	110.7	T105 K106 E113 L117	T105-T115 CarbonylContact C-O 3.55Å; T105-T115 WeakPolarHBondContact CA-O 3.5Å; K106-T115 PolarHBondContact N-O 2.91Å; K106-T115 PolarHBondContact O-N 3.02Å; E113-T115 PolarHBondContact O-N 2.97Å; T115-L117 HydrophobicContact CG2-CD2 4.43Å; T115-L117 PolarHBondContact O-N 3.27Å
116	Q	95.5	Very high	89.7	Confident	120 Å²	120	71.2 Å²	71.2	56%	0.561	39%	0.391	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-76.2	120.3	172.9	-62	-174.7	-30.2	0	0	110	V103	V103-Q116 HydrophobicContact CG1-CB 4.06Å; V103-Q116 HydrophobicContact CG1-CG 3.75Å
117	L	96.6	Very high	88.3	Confident	31 Å²	31	74.9 Å²	74.9	16%	0.162	42%	0.416	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	-47.9	177.6	-60.8	-174.6	0	0	0	111.4	I72 I104 K106 T115 F141 L143 L149	I72-L117 HydrophobicContact CD1-CD1 3.52Å; I104-L117 PolarHBondContact O-N 3.26Å; K106-L117 HydrophobicContact CB-CD1 3.98Å; K106-L117 HydrophobicContact CB-CD2 4.01Å; K106-L117 HydrophobicContact CB-CG 3.93Å; K106-L117 HydrophobicContact CD-CD2 4.46Å; T115-L117 HydrophobicContact CG2-CD2 4.43Å; T115-L117 PolarHBondContact O-N 3.27Å; L117-F141 HydrophobicContact CB-CD1 4.43Å; L117-F141 HydrophobicContact CB-CD2 4.36Å; L117-F141 HydrophobicContact CB-CE1 4.04Å; L117-F141 HydrophobicContact CB-CE2 3.94Å; L117-F141 HydrophobicContact CB-CZ 3.79Å; L117-F141 HydrophobicContact CD1-CD2 4.2Å; L117-F141 HydrophobicContact CD1-CG 4.26Å; L117-F141 HydrophobicContact CD2-CD1 4.02Å; L117-F141 HydrophobicContact CD2-CE1 4.25Å; L117-F141 HydrophobicContact CD2-CG 4.36Å; L117-F141 VanDerWaalsContact O-CZ 3.23Å; L117-F141 WeakPolarHBondContact O-CZ 3.49Å; L117-L143 HydrophobicContact CD1-CD2 4.44Å; L117-L149 HydrophobicContact CD1-CD2 3.73Å
118	L	97.8	Very high	87.1	Confident	32 Å²	32	75.3 Å²	75.3	17%	0.168	43%	0.425	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	143.8	-178.7	-68.8	168.7	0	0	0	109.8	V103 I104 L137 A139 F141	V103-L118 CarbonylContact C-O 3.52Å; V103-L118 VanDerWaalsContact CA-O 3.27Å; V103-L118 WeakPolarHBondContact CA-O 3.19Å; I104-L118 HydrophobicContact CB-CB 4.21Å; I104-L118 HydrophobicContact CD1-CB 4.5Å; I104-L118 HydrophobicContact CD1-CD1 4.08Å; I104-L118 HydrophobicContact CG1-CB 4.32Å; I104-L118 PolarHBondContact N-O 3.24Å; I104-L118 PolarHBondContact O-N 2.88Å; L118-L137 HydrophobicContact CB-CB 4.28Å; L118-L137 HydrophobicContact CB-CD1 4.13Å; L118-L137 HydrophobicContact CD1-CB 4.19Å; L118-A139 HydrophobicContact CD1-CB 4.05Å; L118-A139 HydrophobicContact CD2-CB 3.88Å; L118-A139 HydrophobicContact CG-CB 4.44Å; L118-F141 HydrophobicContact CD1-CE2 3.85Å; L118-F141 HydrophobicContact CD1-CZ 4.35Å; L118-F141 HydrophobicContact CD2-CE2 4.2Å; L118-F141 HydrophobicContact CD2-CZ 3.88Å; L118-F141 HydrophobicContact CG-CE2 3.74Å; L118-F141 HydrophobicContact CG-CZ 3.74Å
119	M	97.8	Very high	86.1	Confident	102 Å²	102	78.6 Å²	78.6	50%	0.502	45%	0.449	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	132.7	175	178.1	170.8	174.3	0	0	109.9	T101 V102 V103 T121	T101-M119 HydrophobicContact CG2-CE 3.85Å; T101-M119 HydrophobicContact CG2-CG 4.22Å; V102-M119 WeakPolarHBondContact O-CA 3.24Å; V103-M119 HydrophobicContact CG2-CB 4.43Å; V103-M119 HydrophobicContact CG2-CG 4.1Å; V103-M119 HydrophobicContact CG2-SD 4.46Å; M119-T121 VanDerWaalsContact CE-OG1 3.26Å; M119-T121 WeakPolarHBondContact CE-OG1 3.34Å
120	G	97.7	Very high	86	Confident	12 Å²	12	76.6 Å²	76.6	12%	0.124	44%	0.439	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	123.8	172.1	0	0	0	0	0	109.4	T101 V102	T101-G120 CarbonylContact C-O 3.55Å; T101-G120 VanDerWaalsContact CA-O 3.3Å; T101-G120 WeakPolarHBondContact CA-O 3.38Å; V102-G120 PolarHBondContact N-O 2.99Å; V102-G120 PolarHBondContact O-N 2.88Å
121	T	96.6	Very high	86.4	Confident	72 Å²	72	72.3 Å²	72.3	44%	0.442	41%	0.406	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	135.6	177.6	-63.8	0	0	0	0	109.6	I100 T101 M119	I100-T121 CarbonylContact O-C 3.59Å; I100-T121 WeakPolarHBondContact O-CA 3.33Å; T101-T121 WeakPolarHBondContact CG2-OG1 3.09Å; T101-T121 WeakPolarHBondContact OG1-CG2 3.17Å; T101-T121 PolarHBondContact OG1-OG1 2.79Å; M119-T121 VanDerWaalsContact CE-OG1 3.26Å; M119-T121 WeakPolarHBondContact CE-OG1 3.34Å
122	K	93.3	Very high	86.9	Confident	87 Å²	87	71.3 Å²	71.3	38%	0.378	41%	0.405	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	138.7	171	-67	-177.9	173.9	-179.6	0	110	S99 I100 P134 I135	S99-K122 VanDerWaalsContact CA-O 3.29Å; S99-K122 WeakPolarHBondContact CA-O 3.28Å; I100-K122 HydrophobicContact CD1-CB 4.31Å; I100-K122 HydrophobicContact CG1-CB 3.96Å; I100-K122 PolarHBondContact N-O 2.93Å; I100-K122 PolarHBondContact O-N 2.9Å; K122-P134 PolarHBondContact NZ-O 3.13Å; K122-I135 HydrophobicContact CB-CD1 4.36Å; K122-I135 HydrophobicContact CD-CD1 4.32Å; K122-I135 HydrophobicContact CD-CG1 3.84Å; K122-I135 HydrophobicContact CG-CD1 4.11Å; K122-I135 HydrophobicContact CG-CG1 4.1Å
123	S	88.8	Confident	87.6	Confident	85 Å²	85	67.5 Å²	67.5	59%	0.594	38%	0.378	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-79.3	130.7	164.6	52.9	0	0	0	0	109.3	D98	D98-S123 CarbonylContact O-C 3.57Å; D98-S123 WeakPolarHBondContact O-CA 3.39Å
124	V	85.1	Confident	88	Confident	0 Å²	0	64.4 Å²	64.4	0%	0	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	121.9	176.9	-175.8	0	0	0	0	108.1	D98 I100 E126 W131	D98-V124 HydrophobicContact CB-CB 4.47Å; D98-V124 PolarHBondContact N-O 2.83Å; D98-V124 PolarHBondContact O-N 2.88Å; I100-V124 HydrophobicContact CD1-CG2 3.98Å; I100-V124 HydrophobicContact CG1-CG2 3.76Å; I100-V124 HydrophobicContact CG2-CG2 4.15Å; V124-E126 HydrophobicContact CG1-CG 4.18Å; V124-W131 HydrophobicContact CG1-CD2 3.75Å; V124-W131 HydrophobicContact CG1-CE3 4.14Å; V124-W131 HydrophobicContact CG1-CG 4.15Å; V124-W131 HydrophobicContact CG1-CH2 4.38Å; V124-W131 HydrophobicContact CG1-CZ2 4Å; V124-W131 HydrophobicContact CG1-CZ3 4.43Å; V124-W131 HydrophobicContact CG2-CH2 4.2Å; V124-W131 HydrophobicContact CG2-CZ3 4.26Å
125	C	79.7	Confident	88.4	Confident	65 Å²	65	62.3 Å²	62.3	44%	0.439	35%	0.354	S	S	.	.			trans	-148.2	73	175.1	-169.5	0	0	0	0	107.1	C85 P97	C85-C125 HydrophobicContact CB-CB 3.85Å; C85-C125 WeakPolarHBondContact CB-SG 2.92Å; C85-C125 WeakPolarHBondContact SG-CB 3.37Å; C85-C125 CovalentContact SG-SG 2.04Å; C85-C125 PolarHBondContact SG-SG 3.46Å; P97-C125 HydrophobicContact CB-CB 4.35Å
126	E	76.2	Confident	88.6	Confident	82 Å²	82	65.4 Å²	65.4	38%	0.383	36%	0.36	S	S	.	.			trans	-104.2	126.2	-173.7	-69.6	-74.4	-178.9	0	0	109.6	S83 V124 W131 Q133	S83-E126 PolarHBondContact OG-N 2.8Å; S83-E126 PolarHBondContact OG-O 2.73Å; V124-E126 HydrophobicContact CG1-CG 4.18Å; E126-W131 HydrophobicContact CB-CB 3.8Å; E126-W131 HydrophobicContact CB-CG 4.19Å; E126-W131 HydrophobicContact CG-CB 3.75Å; E126-W131 HydrophobicContact CG-CG 4.23Å; E126-Q133 PolarHBondContact OE1-NE2 3.18Å
127	V	66.7	Low	88.7	Confident	114 Å²	114	60.7 Å²	60.7	69%	0.691	34%	0.339	S	S	*	.			trans	-95.9	94.4	177.8	-173.6	0	0	0	0	108
128	G	69.3	Low	88.8	Confident	36 Å²	36	60.7 Å²	60.7	37%	0.371	35%	0.346	S	S	.	.	S	Bend	trans	168.4	165.5	-177.3	0	0	0	0	0	111.2	T82 N130	T82-G128 WeakPolarHBondContact CA-O 3.36Å; T82-G128 VanDerWaalsContact CB-O 3.25Å; T82-G128 WeakPolarHBondContact CB-O 3.46Å; T82-G128 WeakPolarHBondContact CG2-O 3.47Å; T82-G128 PolarHBondContact OG1-O 2.82Å; G128-N130 VanDerWaalsContact C-N 3.34Å; G128-N130 PolarHBondContact O-N 2.82Å
129	S	71.9	Confident	88.8	Confident	91 Å²	91	60.6 Å²	60.6	64%	0.636	35%	0.35	S	S	*	.	S	Bend	trans	-63.8	-34.6	-170.8	60.6	0	0	0	0	114.1	T82	T82-S129 PolarHBondContact N-O 2.85Å; T82-S129 WeakPolarHBondContact OG1-CA 3.49Å; T82-S129 PolarHBondContact OG1-O 3.35Å
130	N	84.1	Confident	88.8	Confident	90 Å²	90	60.9 Å²	60.9	48%	0.481	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146	152.7	178.6	-61	-50.1	0	0	0	110.5	G80 G128 F132	G80-N130 CarbonylContact O-C 3.57Å; G80-N130 VanDerWaalsContact O-CA 3.3Å; G80-N130 WeakPolarHBondContact O-CA 3.47Å; G128-N130 VanDerWaalsContact C-N 3.34Å; G128-N130 PolarHBondContact O-N 2.82Å; N130-F132 HydrophobicContact CB-CE2 4.19Å
131	W	89.1	Confident	88.7	Confident	14 Å²	14	62.7 Å²	62.7	5%	0.053	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	155.1	175.2	58.7	-93.8	0	0	0	111.8	F78 R79 G80 M81 I100 V124 E126 Q133 L158	F78-W131 HydrophobicContact CB-CH2 3.93Å; F78-W131 HydrophobicContact CB-CZ3 3.63Å; R79-W131 VanDerWaalsContact CA-O 3.24Å; R79-W131 WeakPolarHBondContact CA-O 3.49Å; G80-W131 PolarHBondContact N-O 3.44Å; G80-W131 VanDerWaalsContact N-O 3.08Å; G80-W131 PolarHBondContact O-N 2.78Å; M81-W131 VanDerWaalsContact O-CD1 3.29Å; M81-W131 PolarHBondContact O-NE1 3.02Å; I100-W131 HydrophobicContact CD1-CZ3 4.28Å; I100-W131 HydrophobicContact CG2-CH2 3.83Å; I100-W131 HydrophobicContact CG2-CZ3 4.41Å; V124-W131 HydrophobicContact CG1-CD2 3.75Å; V124-W131 HydrophobicContact CG1-CE3 4.14Å; V124-W131 HydrophobicContact CG1-CG 4.15Å; V124-W131 HydrophobicContact CG1-CH2 4.38Å; V124-W131 HydrophobicContact CG1-CZ2 4Å; V124-W131 HydrophobicContact CG1-CZ3 4.43Å; V124-W131 HydrophobicContact CG2-CH2 4.2Å; V124-W131 HydrophobicContact CG2-CZ3 4.26Å; E126-W131 HydrophobicContact CB-CB 3.8Å; E126-W131 HydrophobicContact CB-CG 4.19Å; E126-W131 HydrophobicContact CG-CB 3.75Å; E126-W131 HydrophobicContact CG-CG 4.23Å; W131-Q133 HydrophobicContact CE3-CB 4.46Å; W131-Q133 HydrophobicContact CE3-CG 4.24Å; W131-L158 HydrophobicContact CH2-CD1 4.27Å; W131-L158 HydrophobicContact CZ2-CD1 4.33Å; W131-L158 HydrophobicContact CZ2-CD2 4.46Å
132	F	90.1	Very high	88.8	Confident	118 Å²	118	63.2 Å²	63.2	52%	0.518	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142	124.8	177	-61.6	-98.8	0	0	0	109.5	F78 R79 N130	F78-F132 CarbonylContact O-C 3.57Å; F78-F132 VanDerWaalsContact O-CA 3.24Å; F78-F132 WeakPolarHBondContact O-CA 3.11Å; R79-F132 HydrophobicContact CB-CD1 3.28Å; R79-F132 HydrophobicContact CB-CE1 3.31Å; R79-F132 HydrophobicContact CB-CG 4.12Å; R79-F132 HydrophobicContact CB-CZ 4.17Å; R79-F132 HydrophobicContact CG-CD1 4.39Å; R79-F132 HydrophobicContact CG-CE1 4.11Å; N130-F132 HydrophobicContact CB-CE2 4.19Å
133	Q	92.7	Very high	88.9	Confident	32 Å²	32	59.1 Å²	59.1	15%	0.15	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.6	124.6	-178.1	-66.2	-168.6	-4.8	0	0	111.8	F78 I100 E126 W131	F78-Q133 PolarHBondContact N-O 3.5Å; F78-Q133 PolarHBondContact O-N 2.78Å; I100-Q133 HydrophobicContact CD1-CB 4.04Å; E126-Q133 PolarHBondContact OE1-NE2 3.18Å; W131-Q133 HydrophobicContact CE3-CB 4.46Å; W131-Q133 HydrophobicContact CE3-CG 4.24Å
134	P	95.6	Very high	89.3	Confident	59 Å²	59	60.3 Å²	60.3	38%	0.383	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	145.8	172	32.8	-33.2	0	0	0	112.1	Q75 V76 K122	Q75-P134 HydrophobicContact CG-CB 4.1Å; V76-P134 CarbonylContact O-C 3.45Å; V76-P134 WeakPolarHBondContact O-CA 3.36Å; K122-P134 PolarHBondContact NZ-O 3.13Å
135	I	97.8	Very high	89.8	Confident	7 Å²	7	66.7 Å²	66.7	4%	0.036	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	115.3	163.4	-66.6	175.4	0	0	0	107.2	Q75 V76 F78 I100 V102 K122 L137	Q75-I135 CarbonylContact C-O 3.47Å; Q75-I135 VanDerWaalsContact CA-O 3.31Å; Q75-I135 WeakPolarHBondContact CA-O 3.31Å; V76-I135 PolarHBondContact N-O 2.96Å; V76-I135 PolarHBondContact O-N 2.78Å; F78-I135 HydrophobicContact CD2-CD1 4.48Å; F78-I135 HydrophobicContact CE2-CD1 4.12Å; I100-I135 HydrophobicContact CB-CD1 4.4Å; I100-I135 HydrophobicContact CD1-CD1 3.98Å; I100-I135 HydrophobicContact CD1-CG1 4.39Å; I100-I135 HydrophobicContact CG1-CD1 3.87Å; V102-I135 HydrophobicContact CB-CG2 4Å; V102-I135 HydrophobicContact CG2-CB 3.76Å; V102-I135 HydrophobicContact CG2-CD1 4.16Å; V102-I135 HydrophobicContact CG2-CG2 3.78Å; K122-I135 HydrophobicContact CB-CD1 4.36Å; K122-I135 HydrophobicContact CD-CD1 4.32Å; K122-I135 HydrophobicContact CD-CG1 3.84Å; K122-I135 HydrophobicContact CG-CD1 4.11Å; K122-I135 HydrophobicContact CG-CG1 4.1Å; I135-L137 HydrophobicContact CG2-CG 4.23Å
136	Y	98.1	Very high	90.5	Very high	124 Å²	124	65.1 Å²	65.1	49%	0.486	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	135.2	173.9	-178.8	-85.9	0	0	0	109.8	S74 Q75 F168	S74-Y136 CarbonylContact O-C 3.51Å; S74-Y136 WeakPolarHBondContact O-CA 3.44Å; Q75-Y136 HydrophobicContact CB-CD2 4.06Å; Y136-F168 HydrophobicContact CD2-CE2 4.41Å; Y136-F168 HydrophobicContact CD2-CZ 4.38Å; Y136-F168 HydrophobicContact CE2-CE2 4.11Å; Y136-F168 HydrophobicContact CE2-CZ 4.35Å
137	L	98.4	Very high	91.5	Very high	22 Å²	22	61.3 Å²	61.3	12%	0.115	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	141.1	175.7	-63.8	173.8	0	0	0	108.6	Y73 S74 V102 I104 L118 I135	Y73-L137 CarbonylContact C-O 3.52Å; Y73-L137 WeakPolarHBondContact CA-O 3.42Å; S74-L137 PolarHBondContact N-O 2.84Å; S74-L137 PolarHBondContact O-N 2.87Å; V102-L137 HydrophobicContact CB-CD1 4.03Å; V102-L137 HydrophobicContact CG1-CD1 3.95Å; I104-L137 HydrophobicContact CD1-CB 4.32Å; I104-L137 HydrophobicContact CG1-CD1 4.46Å; L118-L137 HydrophobicContact CB-CB 4.28Å; L118-L137 HydrophobicContact CB-CD1 4.13Å; L118-L137 HydrophobicContact CD1-CB 4.19Å; I135-L137 HydrophobicContact CG2-CG 4.23Å
138	G	97.7	Very high	92.9	Very high	31 Å²	31	58.2 Å²	58.2	32%	0.32	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-167.5	137.5	169	0	0	0	0	0	113.3	I72	I72-G138 CarbonylContact O-C 3.53Å; I72-G138 WeakPolarHBondContact O-CA 3.39Å
139	A	97.8	Very high	94.2	Very high	29 Å²	29	56.5 Å²	56.5	24%	0.24	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-163.3	169.7	178.1	0	0	0	0	0	111.1	I72 L118 F141	I72-A139 PolarHBondContact N-O 3.45Å; I72-A139 PolarHBondContact O-N 2.81Å; L118-A139 HydrophobicContact CD1-CB 4.05Å; L118-A139 HydrophobicContact CD2-CB 3.88Å; L118-A139 HydrophobicContact CG-CB 4.44Å; A139-F141 HydrophobicContact CB-CE2 3.72Å; A139-F141 HydrophobicContact CB-CZ 4.04Å
140	M	97.6	Very high	95.3	Very high	108 Å²	108	53 Å²	53	53%	0.532	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94	136.4	176.1	-177.4	-174.9	80.2	0	0	111	D69 Y70 L174	D69-M140 HydrophobicContact CB-CG 4.22Å; D69-M140 HydrophobicContact CB-SD 4.18Å; Y70-M140 CarbonylContact O-C 3.55Å; Y70-M140 VanDerWaalsContact O-CA 3.3Å; Y70-M140 WeakPolarHBondContact O-CA 3.23Å; M140-L174 HydrophobicContact CB-CD1 4.5Å; M140-L174 HydrophobicContact CG-CD1 3.64Å; M140-L174 HydrophobicContact SD-CD1 3.37Å; M140-L174 WeakPolarHBondContact SD-CD1 3.03Å
141	F	97.1	Very high	95.9	Very high	50 Å²	50	48.8 Å²	48.8	22%	0.219	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	142.8	174.4	-62.2	-86	0	0	0	111	Y70 I72 L117 L118 A139 L143	Y70-F141 PolarHBondContact N-O 2.85Å; Y70-F141 PolarHBondContact O-N 3.25Å; I72-F141 HydrophobicContact CD1-CB 4.24Å; I72-F141 HydrophobicContact CD1-CD2 3.67Å; I72-F141 HydrophobicContact CD1-CE2 4.49Å; I72-F141 HydrophobicContact CD1-CG 4.32Å; I72-F141 HydrophobicContact CG1-CD2 4.28Å; L117-F141 HydrophobicContact CB-CD1 4.43Å; L117-F141 HydrophobicContact CB-CD2 4.36Å; L117-F141 HydrophobicContact CB-CE1 4.04Å; L117-F141 HydrophobicContact CB-CE2 3.94Å; L117-F141 HydrophobicContact CB-CZ 3.79Å; L117-F141 HydrophobicContact CD1-CD2 4.2Å; L117-F141 HydrophobicContact CD1-CG 4.26Å; L117-F141 HydrophobicContact CD2-CD1 4.02Å; L117-F141 HydrophobicContact CD2-CE1 4.25Å; L117-F141 HydrophobicContact CD2-CG 4.36Å; L117-F141 VanDerWaalsContact O-CZ 3.23Å; L117-F141 WeakPolarHBondContact O-CZ 3.49Å; L118-F141 HydrophobicContact CD1-CE2 3.85Å; L118-F141 HydrophobicContact CD1-CZ 4.35Å; L118-F141 HydrophobicContact CD2-CE2 4.2Å; L118-F141 HydrophobicContact CD2-CZ 3.88Å; L118-F141 HydrophobicContact CG-CE2 3.74Å; L118-F141 HydrophobicContact CG-CZ 3.74Å; A139-F141 HydrophobicContact CB-CE2 3.72Å; A139-F141 HydrophobicContact CB-CZ 4.04Å; F141-L143 HydrophobicContact CB-CD2 4.21Å; F141-L143 PolarHBondContact O-N 3.49Å
142	S	97.2	Very high	96.2	Very high	84 Å²	84	48.9 Å²	48.9	59%	0.587	26%	0.26	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-77.7	120.5	168.7	-47.5	0	0	0	0	109.7	G68 D69	G68-S142 WeakPolarHBondContact O-CA 3.36Å; D69-S142 WeakPolarHBondContact OD1-CA 3.31Å; D69-S142 WeakPolarHBondContact OD1-CB 3.38Å; D69-S142 PolarHBondContact OD1-OG 3.2Å
143	L	96.3	Very high	96.4	Very high	1 Å²	1	43.2 Å²	43.2	1%	0.005	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	155.4	-178.5	-56.9	179.2	0	0	0	110.4	I64 S67 G68 Y70 I72 K106 L117 F141 L149	I64-L143 HydrophobicContact CD1-CD1 3.52Å; I64-L143 HydrophobicContact CG1-CB 4.24Å; I64-L143 HydrophobicContact CG1-CD1 3.69Å; I64-L143 HydrophobicContact CG2-CB 4.13Å; S67-L143 VanDerWaalsContact CA-O 3.31Å; S67-L143 WeakPolarHBondContact CA-O 3.25Å; G68-L143 PolarHBondContact N-O 3.35Å; G68-L143 PolarHBondContact O-N 3.26Å; Y70-L143 HydrophobicContact CD2-CB 3.94Å; Y70-L143 HydrophobicContact CD2-CD1 3.92Å; Y70-L143 HydrophobicContact CD2-CG 4.16Å; Y70-L143 HydrophobicContact CE2-CB 4.42Å; Y70-L143 HydrophobicContact CG-CD1 3.85Å; Y70-L143 HydrophobicContact CG-CG 4.48Å; I72-L143 HydrophobicContact CD1-CD1 3.96Å; I72-L143 HydrophobicContact CD1-CD2 4.49Å; I72-L143 HydrophobicContact CG1-CD1 4.49Å; K106-L143 HydrophobicContact CD-CD2 3.64Å; K106-L143 HydrophobicContact CG-CD2 4.45Å; L117-L143 HydrophobicContact CD1-CD2 4.44Å; F141-L143 HydrophobicContact CB-CD2 4.21Å; F141-L143 PolarHBondContact O-N 3.49Å; L143-L149 HydrophobicContact CD1-CD1 3.9Å; L143-L149 HydrophobicContact CD1-CD2 4.24Å; L143-L149 HydrophobicContact CD1-CG 4.36Å; L143-L149 HydrophobicContact CD2-CD2 4.37Å
144	Q	96.4	Very high	96.4	Very high	110 Å²	110	43.3 Å²	43.3	51%	0.514	24%	0.239	S	C	.	.			trans	-103.8	152.6	174.6	-61.5	-58.7	-37.8	0	0	110.9	I64 S67 G146 D147	I64-Q144 WeakPolarHBondContact CG2-O 3.2Å; S67-Q144 WeakPolarHBondContact OG-CA 3.39Å; S67-Q144 PolarHBondContact OG-OE1 3.01Å; Q144-G146 PolarHBondContact O-N 3.01Å; Q144-D147 PolarHBondContact N-OD2 2.89Å; Q144-D147 VanDerWaalsContact O-CB 3.25Å; Q144-D147 WeakPolarHBondContact O-CB 3.29Å; Q144-D147 PolarHBondContact O-N 3.48Å
145	E	96.1	Very high	96.1	Very high	133 Å²	133	43.7 Å²	43.7	62%	0.621	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	-52.2	132	166.6	-177.4	177.5	175	0	0	110.3	S67 D147	S67-E145 PolarHBondContact OG-N 2.97Å; E145-D147 VanDerWaalsContact C-N 3.33Å
146	G	95.1	Very high	95.8	Very high	33 Å²	33	44.1 Å²	44.1	34%	0.34	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	87.4	-9.9	-176.5	0	0	0	0	0	115	I64 Q144	I64-G146 PolarHBondContact O-N 2.97Å; Q144-G146 PolarHBondContact O-N 3.01Å
147	D	96.1	Very high	95.4	Very high	1 Å²	1	42 Å²	42	1%	0.005	24%	0.244	C	C	.	.			trans	-59.5	141.6	169.3	-78.3	-16.4	0	0	0	109.8	I64 K106 T108 Q144 E145	I64-D147 HydrophobicContact CB-CB 4.3Å; I64-D147 WeakPolarHBondContact CB-O 3.48Å; I64-D147 HydrophobicContact CG1-CB 4.1Å; I64-D147 WeakPolarHBondContact CG1-O 3.35Å; I64-D147 PolarHBondContact N-O 3.38Å; K106-D147 HydrophobicContact CD-CB 4.27Å; K106-D147 WeakPolarHBondContact CD-OD2 3.25Å; K106-D147 HydrophobicContact CG-CB 4.22Å; K106-D147 IonicContact NZ-OD1 3.8Å; K106-D147 IonicContact NZ-OD2 3.72Å; K106-D147 PolarHBondContact NZ-OD2 3.08Å; T108-D147 WeakPolarHBondContact CB-OD1 3.47Å; T108-D147 PolarHBondContact OG1-OD1 2.75Å; Q144-D147 PolarHBondContact N-OD2 2.89Å; Q144-D147 VanDerWaalsContact O-CB 3.25Å; Q144-D147 WeakPolarHBondContact O-CB 3.29Å; Q144-D147 PolarHBondContact O-N 3.48Å; E145-D147 VanDerWaalsContact C-N 3.33Å
148	K	95.8	Very high	95	Very high	50 Å²	50	43.1 Å²	43.1	22%	0.217	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	122.2	-177	-76	165.3	-107.9	178.5	0	109.2	F61 L62 L63 K106 V107 D109	F61-K148 HydrophobicContact CB-CB 4.11Å; F61-K148 HydrophobicContact CB-CG 4.21Å; F61-K148 HydrophobicContact CD1-CB 3.73Å; F61-K148 HydrophobicContact CE1-CB 4.39Å; F61-K148 HydrophobicContact CG-CB 4.06Å; F61-K148 HydrophobicContact CG-CD 4.45Å; F61-K148 HydrophobicContact CG-CG 4.37Å; L62-K148 WeakPolarHBondContact O-CA 3.41Å; L63-K148 HydrophobicContact CD1-CG 4.47Å; L63-K148 HydrophobicContact CG-CG 4.17Å; K106-K148 CarbonylContact C-O 3.51Å; K106-K148 WeakPolarHBondContact CA-O 3.27Å; V107-K148 HydrophobicContact CB-CB 4.18Å; V107-K148 PolarHBondContact N-O 2.99Å; V107-K148 PolarHBondContact O-N 2.88Å; D109-K148 IonicContact OD1-NZ 3.13Å; D109-K148 PolarHBondContact OD1-NZ 2.87Å; D109-K148 IonicContact OD2-NZ 3.78Å
149	L	96.6	Very high	94.8	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	140.6	176.9	-58.5	176.9	0	0	0	111	F61 L62 I64 I72 T105 K106 L117 L143 F169 A171	F61-L149 CarbonylContact C-O 3.59Å; F61-L149 VanDerWaalsContact CA-O 3.31Å; F61-L149 WeakPolarHBondContact CA-O 3.45Å; L62-L149 HydrophobicContact CB-CB 4.29Å; L62-L149 PolarHBondContact N-O 2.88Å; L62-L149 PolarHBondContact O-N 2.86Å; I64-L149 HydrophobicContact CD1-CD1 3.85Å; I64-L149 HydrophobicContact CD1-CG 4.26Å; I64-L149 HydrophobicContact CG1-CG 4.43Å; I72-L149 HydrophobicContact CD1-CD1 3.76Å; I72-L149 HydrophobicContact CD1-CD2 4.07Å; I72-L149 HydrophobicContact CG1-CD1 4.11Å; I72-L149 HydrophobicContact CG2-CD1 4.24Å; T105-L149 WeakPolarHBondContact O-CA 3.14Å; K106-L149 HydrophobicContact CB-CD2 4.11Å; K106-L149 HydrophobicContact CG-CD2 4.09Å; L117-L149 HydrophobicContact CD1-CD2 3.73Å; L143-L149 HydrophobicContact CD1-CD1 3.9Å; L143-L149 HydrophobicContact CD1-CD2 4.24Å; L143-L149 HydrophobicContact CD1-CG 4.36Å; L143-L149 HydrophobicContact CD2-CD2 4.37Å; L149-F169 HydrophobicContact CB-CZ 3.75Å; L149-F169 HydrophobicContact CD1-CZ 4.36Å; L149-A171 HydrophobicContact CD1-CB 4.19Å
150	M	95.4	Very high	94.5	Very high	18 Å²	18	40.3 Å²	40.3	9%	0.089	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	165.3	170.6	65.5	179.6	140.9	0	0	111	A39 F61 T105 V107	A39-M150 HydrophobicContact CB-SD 3.76Å; F61-M150 HydrophobicContact CD1-CB 3.96Å; F61-M150 HydrophobicContact CD1-CG 4.33Å; F61-M150 HydrophobicContact CD1-SD 4.29Å; F61-M150 HydrophobicContact CE1-CB 4.09Å; F61-M150 HydrophobicContact CE1-CE 3.48Å; F61-M150 VanDerWaalsContact CE1-CE 3.48Å; F61-M150 HydrophobicContact CE1-CG 4.01Å; F61-M150 HydrophobicContact CE1-SD 3.47Å; F61-M150 WeakPolarHBondContact CE1-SD 3.42Å; F61-M150 HydrophobicContact CZ-CE 4.01Å; F61-M150 HydrophobicContact CZ-SD 3.97Å; T105-M150 HydrophobicContact CG2-CE 4.11Å; T105-M150 PolarHBondContact N-O 3.28Å; T105-M150 PolarHBondContact O-N 2.98Å; V107-M150 HydrophobicContact CG2-CE 3.42Å; V107-M150 VanDerWaalsContact CG2-CE 3.42Å
151	V	96.3	Very high	94.1	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	125.1	175.1	-178.9	0	0	0	0	109	A39 L40 W42 V76 V102 V103 I104 F169	A39-V151 WeakPolarHBondContact CA-O 3.47Å; L40-V151 HydrophobicContact CD1-CG1 4.17Å; L40-V151 PolarHBondContact N-O 2.67Å; W42-V151 HydrophobicContact CZ2-CB 3.8Å; W42-V151 HydrophobicContact CZ2-CG1 4.23Å; W42-V151 HydrophobicContact CZ2-CG2 3.88Å; V76-V151 HydrophobicContact CG2-CG1 4.26Å; V102-V151 HydrophobicContact CG1-CG1 3.71Å; V103-V151 CarbonylContact O-C 3.48Å; V103-V151 WeakPolarHBondContact O-CA 3.33Å; I104-V151 HydrophobicContact CG1-CG2 4.34Å; V151-F169 HydrophobicContact CG2-CB 3.85Å; V151-F169 HydrophobicContact CG2-CD1 3.92Å; V151-F169 HydrophobicContact CG2-CD2 3.5Å; V151-F169 VanDerWaalsContact CG2-CD2 3.5Å; V151-F169 HydrophobicContact CG2-CE1 4.38Å; V151-F169 HydrophobicContact CG2-CE2 4.02Å; V151-F169 HydrophobicContact CG2-CG 3.46Å; V151-F169 VanDerWaalsContact CG2-CG 3.46Å; V151-F169 HydrophobicContact CG2-CZ 4.44Å
152	N	95.2	Very high	93.5	Very high	16 Å²	16	40.1 Å²	40.1	9%	0.086	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	145.8	177.1	-55.1	86.7	0	0	0	110.6	F37 P38 V102 V103 T105	F37-N152 HydrophobicContact CB-CB 3.69Å; F37-N152 PolarHBondContact O-ND2 3.46Å; P38-N152 CarbonylContact O-C 3.56Å; P38-N152 WeakPolarHBondContact O-CA 3.32Å; V102-N152 CarbonylContact C-O 3.56Å; V102-N152 WeakPolarHBondContact CA-O 3.3Å; V103-N152 HydrophobicContact CB-CB 4.35Å; V103-N152 PolarHBondContact N-O 2.95Å; V103-N152 PolarHBondContact O-N 2.93Å; T105-N152 WeakPolarHBondContact CB-OD1 3.24Å; T105-N152 PolarHBondContact OG1-OD1 3.24Å
153	V	95.2	Very high	93	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	154.7	178.3	-64	0	0	0	0	111.7	F37 P38 L40 V76 F78 T101 V102 D155 I156 V159	F37-V153 WeakPolarHBondContact CB-O 3.24Å; P38-V153 WeakPolarHBondContact CD-O 3.43Å; P38-V153 HydrophobicContact CG-CG2 4.47Å; P38-V153 WeakPolarHBondContact CG-O 3.41Å; P38-V153 PolarHBondContact O-N 3.04Å; L40-V153 HydrophobicContact CD1-CG1 3.73Å; L40-V153 HydrophobicContact CD2-CG1 4.4Å; L40-V153 HydrophobicContact CD2-CG2 3.87Å; L40-V153 HydrophobicContact CG-CG1 4.06Å; L40-V153 HydrophobicContact CG-CG2 4.22Å; V76-V153 HydrophobicContact CG1-CG1 4.13Å; V76-V153 HydrophobicContact CG2-CG1 4.24Å; F78-V153 HydrophobicContact CE1-CB 4.2Å; F78-V153 HydrophobicContact CE1-CG1 4.43Å; F78-V153 HydrophobicContact CZ-CB 4.03Å; F78-V153 HydrophobicContact CZ-CG1 3.92Å; T101-V153 CarbonylContact O-C 3.58Å; T101-V153 VanDerWaalsContact O-CA 3.24Å; T101-V153 WeakPolarHBondContact O-CA 3.13Å; V102-V153 HydrophobicContact CG2-CG1 4.48Å; V153-D155 VanDerWaalsContact C-N 3.35Å; V153-I156 HydrophobicContact CG2-CG1 3.96Å; V153-V159 HydrophobicContact CB-CG2 4.48Å; V153-V159 HydrophobicContact CG1-CG2 4.36Å; V153-V159 HydrophobicContact CG2-CG2 4.05Å
154	S	92.8	Very high	92.3	Very high	33 Å²	33	45.4 Å²	45.4	23%	0.231	24%	0.237	C	C	.	.	S	Bend	trans	-62.9	-40.1	176.9	52.4	0	0	0	0	112.9	S99 I100 T101	S99-S154 PolarHBondContact O-OG 3.29Å; I100-S154 WeakPolarHBondContact CA-OG 3.36Å; T101-S154 PolarHBondContact N-OG 2.74Å; T101-S154 PolarHBondContact O-N 2.85Å
155	D	90	Very high	91.8	Very high	67 Å²	67	45 Å²	45	36%	0.358	24%	0.239	S	C	.	.			trans	-147.9	118.6	179.3	-167.4	-26.1	0	0	0	111	V153 S157 L158	V153-D155 VanDerWaalsContact C-N 3.35Å; D155-S157 VanDerWaalsContact C-N 3.31Å; D155-S157 VanDerWaalsContact CG-OG 3.23Å; D155-S157 PolarHBondContact O-N 2.92Å; D155-S157 VanDerWaalsContact OD1-CB 3.29Å; D155-S157 WeakPolarHBondContact OD1-CB 3.3Å; D155-S157 PolarHBondContact OD1-N 2.88Å; D155-S157 PolarHBondContact OD1-OG 3.26Å; D155-S157 PolarHBondContact OD2-OG 3.3Å; D155-L158 HydrophobicContact CB-CD1 4.04Å; D155-L158 HydrophobicContact CB-CG 4.14Å
156	I	90.7	Very high	91.4	Very high	17 Å²	17	42 Å²	42	9%	0.087	22%	0.223	C	C	.	.	G	3₁₀ helix	trans	-64.3	-35.9	176.8	-77.7	173.6	0	0	0	111.6	Q27 P38 L40 V153 L158 V159	Q27-I156 HydrophobicContact CB-CG2 3.66Å; Q27-I156 HydrophobicContact CG-CG2 4.25Å; Q27-I156 VanDerWaalsContact OE1-CG1 3.25Å; Q27-I156 VanDerWaalsContact OE1-CG2 3.27Å; P38-I156 HydrophobicContact CB-CD1 3.2Å; P38-I156 HydrophobicContact CB-CG1 3.54Å; P38-I156 HydrophobicContact CG-CD1 3.87Å; P38-I156 HydrophobicContact CG-CG1 3.74Å; L40-I156 HydrophobicContact CD2-CG1 4.23Å; V153-I156 HydrophobicContact CG2-CG1 3.96Å; I156-L158 PolarHBondContact O-N 3.33Å; I156-V159 WeakPolarHBondContact O-CB 3.43Å; I156-V159 PolarHBondContact O-N 3.27Å
157	S	89	Confident	91.3	Very high	80 Å²	80	40.4 Å²	40.4	56%	0.559	21%	0.207	S	C	*	.	G	3₁₀ helix	trans	-64.9	-23.8	-173.2	72	0	0	0	0	112.6	D155	D155-S157 VanDerWaalsContact C-N 3.31Å; D155-S157 VanDerWaalsContact CG-OG 3.23Å; D155-S157 PolarHBondContact O-N 2.92Å; D155-S157 VanDerWaalsContact OD1-CB 3.29Å; D155-S157 WeakPolarHBondContact OD1-CB 3.3Å; D155-S157 PolarHBondContact OD1-N 2.88Å; D155-S157 PolarHBondContact OD1-OG 3.26Å; D155-S157 PolarHBondContact OD2-OG 3.3Å
158	L	91.4	Very high	91.2	Very high	45 Å²	45	41.8 Å²	41.8	24%	0.236	21%	0.213	C	C	.	.	G	3₁₀ helix	trans	-87.1	-9.8	177.4	-60.9	-179.7	0	0	0	113.1	F78 R79 I100 W131 D155 I156 D160	F78-L158 CarbonylContact C-O 3.48Å; F78-L158 VanDerWaalsContact CA-O 3.25Å; F78-L158 WeakPolarHBondContact CA-O 3.37Å; F78-L158 HydrophobicContact CD1-CB 3.88Å; R79-L158 PolarHBondContact N-O 2.95Å; R79-L158 WeakPolarHBondContact O-CA 3.03Å; R79-L158 WeakPolarHBondContact O-CD2 2.96Å; I100-L158 HydrophobicContact CG2-CD1 4.24Å; W131-L158 HydrophobicContact CH2-CD1 4.27Å; W131-L158 HydrophobicContact CZ2-CD1 4.33Å; W131-L158 HydrophobicContact CZ2-CD2 4.46Å; D155-L158 HydrophobicContact CB-CD1 4.04Å; D155-L158 HydrophobicContact CB-CG 4.14Å; I156-L158 PolarHBondContact O-N 3.33Å; L158-D160 PolarHBondContact O-N 2.9Å
159	V	92.9	Very high	91.2	Very high	1 Å²	1	39.5 Å²	39.5	1%	0.006	20%	0.203	C	C	.	.	B	Isolated β-bridge	trans	-73	130	-177.3	177.9	0	0	0	0	110.8	V24 L40 V76 F78 V153 I156 Y161 T167	V24-V159 HydrophobicContact CB-CG1 4.33Å; V24-V159 HydrophobicContact CG1-CG1 4.44Å; V24-V159 HydrophobicContact CG2-CG1 4.08Å; L40-V159 HydrophobicContact CD2-CG2 4.28Å; V76-V159 HydrophobicContact CG1-CB 4.49Å; V76-V159 HydrophobicContact CG1-CG1 3.89Å; V76-V159 HydrophobicContact CG1-CG2 3.92Å; F78-V159 HydrophobicContact CD1-CG2 4.26Å; F78-V159 HydrophobicContact CE1-CG2 3.93Å; V153-V159 HydrophobicContact CB-CG2 4.48Å; V153-V159 HydrophobicContact CG1-CG2 4.36Å; V153-V159 HydrophobicContact CG2-CG2 4.05Å; I156-V159 WeakPolarHBondContact O-CB 3.43Å; I156-V159 PolarHBondContact O-N 3.27Å; V159-Y161 VanDerWaalsContact O-CD1 3.29Å; V159-Y161 WeakPolarHBondContact O-CD1 3.32Å; V159-Y161 PolarHBondContact O-N 2.94Å; V159-T167 HydrophobicContact CG1-CG2 4.17Å
160	D	91.9	Very high	91.1	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	20%	0.203	C	C	.	.			trans	-79.3	102.5	171.3	-167.8	-8.8	0	0	0	110	T77 R79 L158 T162 K166 T167	T77-D160 HydrophobicContact CG2-CB 4.05Å; T77-D160 WeakPolarHBondContact O-CB 3.24Å; T77-D160 PolarHBondContact O-N 2.95Å; R79-D160 HydrophobicContact CG-CB 4.18Å; R79-D160 IonicContact CZ-OD1 3.96Å; R79-D160 IonicContact NE-OD1 2.79Å; R79-D160 IonicContact NH1-OD1 3.86Å; L158-D160 PolarHBondContact O-N 2.9Å; D160-T162 VanDerWaalsContact OD1-CB 3.28Å; D160-T162 WeakPolarHBondContact OD1-CB 3.34Å; D160-T162 WeakPolarHBondContact OD1-CG2 3.18Å; D160-T162 PolarHBondContact OD1-N 3.43Å; D160-T162 PolarHBondContact OD1-OG1 3.28Å; D160-K166 VanDerWaalsContact OD2-CD 3.24Å; D160-K166 WeakPolarHBondContact OD2-CD 3.3Å; D160-K166 IonicContact OD2-NZ 2.97Å; D160-K166 PolarHBondContact OD2-NZ 3.08Å; D160-T167 PolarHBondContact O-OG1 3.15Å
161	Y	88.1	Confident	91	Very high	85 Å²	85	38.6 Å²	38.6	33%	0.333	20%	0.199	S	C	.	.			trans	-96.8	9.6	175.8	54	-98.2	0	0	0	113.7	V24 R26 V159	V24-Y161 WeakPolarHBondContact O-CB 3.36Å; R26-Y161 HydrophobicContact CB-CE2 4.36Å; R26-Y161 HydrophobicContact CG-CE2 4.12Å; V159-Y161 VanDerWaalsContact O-CD1 3.29Å; V159-Y161 WeakPolarHBondContact O-CD1 3.32Å; V159-Y161 PolarHBondContact O-N 2.94Å
162	T	86.1	Confident	90.9	Very high	69 Å²	69	40.3 Å²	40.3	42%	0.423	21%	0.206	S	C	.	.	S	Bend	trans	-77.8	-23.7	-170.8	59.8	0	0	0	0	114.7	R79 D160	R79-T162 VanDerWaalsContact NH1-CG2 3.33Å; D160-T162 VanDerWaalsContact OD1-CB 3.28Å; D160-T162 WeakPolarHBondContact OD1-CB 3.34Å; D160-T162 WeakPolarHBondContact OD1-CG2 3.18Å; D160-T162 PolarHBondContact OD1-N 3.43Å; D160-T162 PolarHBondContact OD1-OG1 3.28Å
163	K	85.2	Confident	90.7	Very high	127 Å²	127	41.4 Å²	41.4	55%	0.552	21%	0.212	S	C	*	.			trans	-142.7	142.8	-175.9	-61.4	-70.2	-177.6	177.5	0	110.9	D165 K166	K163-D165 VanDerWaalsContact C-N 3.31Å; K163-D165 WeakPolarHBondContact CB-OD1 3.46Å; K163-D165 PolarHBondContact O-N 2.87Å; K163-K166 HydrophobicContact CB-CD 4.15Å; K163-K166 HydrophobicContact CB-CG 4.18Å; K163-K166 PolarHBondContact O-N 3.36Å
164	E	82	Confident	90.5	Very high	68 Å²	68	47 Å²	47	32%	0.318	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.3	-19.6	-177.1	62.2	-174.9	172.9	0	0	114.1	V21 P23 L48	V21-E164 VanDerWaalsContact CG1-O 3.22Å; V21-E164 WeakPolarHBondContact CG1-O 3.43Å; P23-E164 HydrophobicContact CB-CB 4.49Å; P23-E164 HydrophobicContact CG-CB 4.3Å; L48-E164 VanDerWaalsContact CD1-CD 3.5Å; L48-E164 HydrophobicContact CD1-CG 3.88Å; L48-E164 WeakPolarHBondContact CD1-OE1 3.45Å; L48-E164 VanDerWaalsContact CG-CD 3.48Å; L48-E164 HydrophobicContact CG-CG 4.37Å; L48-E164 WeakPolarHBondContact CG-OE1 3.2Å; L48-E164 PolarHBondContact N-OE2 2.56Å
165	D	85	Confident	90.4	Very high	103 Å²	103	47.7 Å²	47.7	55%	0.551	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87.2	-12	179.2	64.9	-27.4	0	0	0	113.6	K163	K163-D165 VanDerWaalsContact C-N 3.31Å; K163-D165 WeakPolarHBondContact CB-OD1 3.46Å; K163-D165 PolarHBondContact O-N 2.87Å
166	K	89.3	Confident	90.4	Very high	68 Å²	68	46.6 Å²	46.6	30%	0.296	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.4	-39	-176.9	-73.1	-176.7	174.7	179.1	0	113.8	Q75 T77 D160 K163	Q75-K166 PolarHBondContact NE2-O 2.85Å; T77-K166 WeakPolarHBondContact CB-O 3.29Å; T77-K166 PolarHBondContact OG1-O 2.74Å; D160-K166 VanDerWaalsContact OD2-CD 3.24Å; D160-K166 WeakPolarHBondContact OD2-CD 3.3Å; D160-K166 IonicContact OD2-NZ 2.97Å; D160-K166 PolarHBondContact OD2-NZ 3.08Å; K163-K166 HydrophobicContact CB-CD 4.15Å; K163-K166 HydrophobicContact CB-CG 4.18Å; K163-K166 PolarHBondContact O-N 3.36Å
167	T	93.2	Very high	90.4	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	24%	0.244	C	C	.	.	S	Bend	trans	-130.5	130.1	-177.9	-62.9	0	0	0	0	106.5	F22 V24 W42 Q75 V76 T77 V159 D160	F22-T167 CarbonylContact C-O 3.59Å; F22-T167 CarbonylContact O-C 3.44Å; V24-T167 HydrophobicContact CG2-CG2 3.53Å; W42-T167 HydrophobicContact CH2-CG2 3.93Å; W42-T167 HydrophobicContact CZ3-CG2 3.94Å; Q75-T167 CarbonylContact O-C 3.57Å; Q75-T167 WeakPolarHBondContact O-CA 3.33Å; V76-T167 HydrophobicContact CB-CG2 4.39Å; V76-T167 HydrophobicContact CG1-CG2 4.17Å; V76-T167 HydrophobicContact CG2-CG2 4.3Å; T77-T167 PolarHBondContact N-OG1 2.83Å; T77-T167 VanDerWaalsContact N-OG1 3.13Å; V159-T167 HydrophobicContact CG1-CG2 4.17Å; D160-T167 PolarHBondContact O-OG1 3.15Å
168	F	93.5	Very high	90.5	Very high	30 Å²	30	46.4 Å²	46.4	13%	0.132	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-162.9	161.1	-177.7	51.9	-97.9	0	0	0	111.2	Y73 S74 Q75 Y136	Y73-F168 HydrophobicContact CD2-CD2 4.07Å; Y73-F168 AromaticContact CD2-CE2 3.99Å; Y73-F168 HydrophobicContact CD2-CE2 3.99Å; Y73-F168 HydrophobicContact CE2-CD2 4.03Å; Y73-F168 HydrophobicContact CE2-CE2 4.21Å; S74-F168 CarbonylContact C-O 3.57Å; S74-F168 WeakPolarHBondContact CA-O 3.29Å; S74-F168 WeakPolarHBondContact CB-O 3.32Å; S74-F168 PolarHBondContact OG-O 2.82Å; Q75-F168 HydrophobicContact CB-CD1 4.01Å; Q75-F168 HydrophobicContact CB-CD2 4.14Å; Q75-F168 HydrophobicContact CB-CE1 3.52Å; Q75-F168 HydrophobicContact CB-CE2 3.66Å; Q75-F168 HydrophobicContact CB-CG 4.3Å; Q75-F168 HydrophobicContact CB-CZ 3.32Å; Q75-F168 HydrophobicContact CG-CE1 4.27Å; Q75-F168 HydrophobicContact CG-CZ 4.28Å; Q75-F168 PolarHBondContact N-O 2.86Å; Q75-F168 PolarHBondContact O-N 2.04Å; Q75-F168 VanDerWaalsContact O-O 3.05Å; Y136-F168 HydrophobicContact CD2-CE2 4.41Å; Y136-F168 HydrophobicContact CD2-CZ 4.38Å; Y136-F168 HydrophobicContact CE2-CE2 4.11Å; Y136-F168 HydrophobicContact CE2-CZ 4.35Å
169	F	95.6	Very high	90.5	Very high	2 Å²	2	46.5 Å²	46.5	1%	0.009	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.9	128.8	179	162.2	-126.6	0	0	0	109.8	L20 W42 L62 I72 Y73 I104 L149 V151	L20-F169 WeakPolarHBondContact CB-O 3.26Å; L20-F169 WeakPolarHBondContact CD1-O 3.46Å; W42-F169 HydrophobicContact CD2-CB 4.04Å; W42-F169 HydrophobicContact CD2-CD1 4.48Å; W42-F169 HydrophobicContact CE3-CB 4.22Å; W42-F169 HydrophobicContact CH2-CB 3.6Å; W42-F169 HydrophobicContact CZ2-CB 3.4Å; W42-F169 VanDerWaalsContact CZ2-CB 3.4Å; W42-F169 HydrophobicContact CZ2-CD1 4.47Å; W42-F169 HydrophobicContact CZ2-CG 4.23Å; W42-F169 HydrophobicContact CZ3-CB 4.02Å; W42-F169 AromaticContact NE1-CD1 3.76Å; L62-F169 HydrophobicContact CB-CE1 3.83Å; L62-F169 HydrophobicContact CB-CZ 4.17Å; L62-F169 HydrophobicContact CD2-CE1 4.07Å; L62-F169 HydrophobicContact CD2-CZ 3.95Å; I72-F169 HydrophobicContact CG2-CE2 3.79Å; Y73-F169 CarbonylContact O-C 3.58Å; Y73-F169 WeakPolarHBondContact O-CA 3.41Å; Y73-F169 WeakPolarHBondContact O-CD2 3.13Å; I104-F169 HydrophobicContact CG2-CE2 4.42Å; L149-F169 HydrophobicContact CB-CZ 3.75Å; L149-F169 HydrophobicContact CD1-CZ 4.36Å; V151-F169 HydrophobicContact CG2-CB 3.85Å; V151-F169 HydrophobicContact CG2-CD1 3.92Å; V151-F169 HydrophobicContact CG2-CD2 3.5Å; V151-F169 VanDerWaalsContact CG2-CD2 3.5Å; V151-F169 HydrophobicContact CG2-CE1 4.38Å; V151-F169 HydrophobicContact CG2-CE2 4.02Å; V151-F169 HydrophobicContact CG2-CG 3.46Å; V151-F169 VanDerWaalsContact CG2-CG 3.46Å; V151-F169 HydrophobicContact CG2-CZ 4.44Å
170	G	93.8	Very high	90.3	Very high	0 Å²	0	49.5 Å²	49.5	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.1	162	-177.7	0	0	0	0	0	116.4	L20 I72 Y73	L20-G170 VanDerWaalsContact CB-CA 3.44Å; I72-G170 WeakPolarHBondContact CA-O 3.03Å; Y73-G170 PolarHBondContact N-O 2.98Å; Y73-G170 PolarHBondContact O-N 3.35Å; Y73-G170 VanDerWaalsContact O-O 3.12Å
171	A	94.8	Very high	90.2	Very high	0 Å²	0	53.1 Å²	53.1	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.9	148.9	171.6	0	0	0	0	0	111.3	M55 L62 F71 I72 L149	M55-A171 HydrophobicContact CE-CB 4.12Å; L62-A171 HydrophobicContact CD2-CB 3.83Å; F71-A171 CarbonylContact O-C 3.6Å; F71-A171 VanDerWaalsContact O-CA 3.22Å; F71-A171 WeakPolarHBondContact O-CA 3.34Å; I72-A171 HydrophobicContact CG1-CB 4.23Å; I72-A171 HydrophobicContact CG2-CB 4.4Å; L149-A171 HydrophobicContact CD1-CB 4.19Å
172	F	92.4	Very high	90.3	Very high	35 Å²	35	50.6 Å²	50.6	15%	0.154	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147	146.6	172.9	60.4	-97.7	0	0	0	112.5	I17 Y70 F71 Y73 L174	I17-F172 HydrophobicContact CB-CB 4.06Å; I17-F172 HydrophobicContact CB-CD2 4.06Å; I17-F172 HydrophobicContact CB-CG 4.12Å; I17-F172 HydrophobicContact CD1-CD2 3.63Å; I17-F172 HydrophobicContact CD1-CE2 3.9Å; I17-F172 HydrophobicContact CG1-CB 4.08Å; I17-F172 HydrophobicContact CG1-CD2 3.68Å; I17-F172 HydrophobicContact CG1-CE2 4.39Å; I17-F172 HydrophobicContact CG1-CG 4.14Å; I17-F172 HydrophobicContact CG2-CB 3.41Å; I17-F172 VanDerWaalsContact CG2-CB 3.41Å; I17-F172 HydrophobicContact CG2-CD1 3.49Å; I17-F172 VanDerWaalsContact CG2-CD1 3.49Å; I17-F172 HydrophobicContact CG2-CD2 3.33Å; I17-F172 HydrophobicContact CG2-CE1 3.98Å; I17-F172 HydrophobicContact CG2-CE2 3.81Å; I17-F172 HydrophobicContact CG2-CG 3.13Å; I17-F172 HydrophobicContact CG2-CZ 4.11Å; Y70-F172 CarbonylContact C-O 3.43Å; Y70-F172 WeakPolarHBondContact CA-O 3.25Å; Y70-F172 VanDerWaalsContact CD1-C 3.41Å; F71-F172 HydrophobicContact CB-CD1 4.33Å; F71-F172 HydrophobicContact CB-CD2 4.16Å; F71-F172 HydrophobicContact CB-CE1 3.85Å; F71-F172 HydrophobicContact CB-CE2 3.68Å; F71-F172 HydrophobicContact CB-CG 4.48Å; F71-F172 HydrophobicContact CB-CZ 3.51Å; F71-F172 HydrophobicContact CD1-CD1 4.4Å; F71-F172 AromaticContact CD1-CE1 3.51Å; F71-F172 HydrophobicContact CD1-CE1 3.51Å; F71-F172 AromaticContact CD1-CZ 3.68Å; F71-F172 HydrophobicContact CD1-CZ 3.68Å; F71-F172 HydrophobicContact CE1-CE1 4.46Å; F71-F172 HydrophobicContact CG-CE1 4.05Å; F71-F172 HydrophobicContact CG-CE2 4.44Å; F71-F172 AromaticContact CG-CZ 3.81Å; F71-F172 HydrophobicContact CG-CZ 3.81Å; F71-F172 PolarHBondContact N-O 3.05Å; F71-F172 PolarHBondContact O-N 2.69Å; Y73-F172 HydrophobicContact CD1-CE1 4.43Å; Y73-F172 HydrophobicContact CE1-CD1 4.05Å; Y73-F172 HydrophobicContact CE1-CE1 4.12Å; F172-L174 HydrophobicContact CD2-CD2 4.13Å; F172-L174 HydrophobicContact CE2-CD2 3.57Å; F172-L174 HydrophobicContact CE2-CG 4.46Å
173	L	92.4	Very high	90.7	Very high	40 Å²	40	49.1 Å²	49.1	21%	0.209	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	136.8	175	-178	66.2	0	0	0	110.1	I17 Y70	I17-L173 WeakPolarHBondContact CG1-O 3.47Å; Y70-L173 HydrophobicContact CD1-CB 4.17Å; Y70-L173 HydrophobicContact CD2-CD1 3.97Å; Y70-L173 HydrophobicContact CE1-CB 3.7Å; Y70-L173 HydrophobicContact CE1-CD1 4.44Å; Y70-L173 HydrophobicContact CE2-CB 4.34Å; Y70-L173 HydrophobicContact CE2-CD1 3.52Å; Y70-L173 HydrophobicContact CE2-CG 4.46Å
174	L	91.3	Very high	91.2	Very high	116 Å²	116	42 Å²	42	61%	0.607	21%	0.207	S	C	*	.			trans	-85.5	0	178	-66.8	169.7	0	0	0	113.5	D69 F71 M140 F172	D69-L174 HydrophobicContact CB-CD1 4.32Å; D69-L174 WeakPolarHBondContact O-CB 3.49Å; D69-L174 PolarHBondContact O-N 3.09Å; F71-L174 HydrophobicContact CB-CD2 4.49Å; M140-L174 HydrophobicContact CB-CD1 4.5Å; M140-L174 HydrophobicContact CG-CD1 3.64Å; M140-L174 HydrophobicContact SD-CD1 3.37Å; M140-L174 WeakPolarHBondContact SD-CD1 3.03Å; F172-L174 HydrophobicContact CD2-CD2 4.13Å; F172-L174 HydrophobicContact CE2-CD2 3.57Å; F172-L174 HydrophobicContact CE2-CG 4.46Å

Retrieved 174 of 174 residues in 117.7 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).