G4LZA1_SCHMA Loading...

Protein phosphatase 1 regulatory subunit 42

AlphaFold DB , UniProt , Accession G4LZA1, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 287 aa.

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(Predicted Aligned Error values between residue pairs)

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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	80.8	Confident	89.4	Confident	182 Å²	182	57 Å²	57	90%	0.897	30%	0.302	S	S	*	.				0	109.5	0	-165.9	167.7	64.4	0	0	108.1	D43 E44	M1-D43 VanDerWaalsContact C-OD2 3.29Å; M1-D43 WeakPolarHBondContact CA-OD2 3.49Å; M1-D43 HydrophobicContact CG-CB 3.83Å; M1-E44 HydrophobicContact CG-CG 4.48Å
2	V	88.9	Confident	89.5	Confident	63 Å²	63	52.8 Å²	52.8	38%	0.382	28%	0.281	S	S	.	.			trans	-98.4	112.2	177.4	-174.1	0	0	0	0	107.4	N41 L42 D43	V2-N41 VanDerWaalsContact CB-O 3.31Å; V2-N41 WeakPolarHBondContact CB-O 3.22Å; V2-L42 HydrophobicContact CG1-CD2 4.21Å; V2-D43 PolarHBondContact N-OD2 3.27Å; V2-D43 PolarHBondContact O-N 2.7Å
3	K	91.1	Very high	89.4	Confident	89 Å²	89	49.9 Å²	49.9	39%	0.387	27%	0.266	S	S	.	.	B	Isolated β-bridge	trans	-96.3	153.6	173.1	-169.6	179.7	-168.2	151.4	0	109.5	E44	K3-E44 WeakPolarHBondContact CA-O 3.43Å; K3-E44 HydrophobicContact CB-CG 4.11Å; K3-E44 WeakPolarHBondContact CD-OE1 3.19Å; K3-E44 VanDerWaalsContact CE-OE1 3.26Å; K3-E44 WeakPolarHBondContact CE-OE1 3.33Å; K3-E44 HydrophobicContact CG-CG 3.94Å; K3-E44 WeakPolarHBondContact CG-OE1 3.38Å; K3-E44 IonicContact NZ-OE1 3.28Å; K3-E44 PolarHBondContact NZ-OE1 3.28Å
4	S	91.4	Very high	88.2	Confident	6 Å²	6	53.6 Å²	53.6	4%	0.042	30%	0.298	C	S	.	.			trans	-60.6	164.7	162.4	56.9	0	0	0	0	111.5	E44 L45 G46 E48	S4-E44 PolarHBondContact N-O 2.85Å; S4-L45 VanDerWaalsContact OG-CA 3.31Å; S4-L45 WeakPolarHBondContact OG-CA 3.35Å; S4-G46 PolarHBondContact OG-N 3.42Å; S4-E48 WeakPolarHBondContact CA-OE1 3.29Å; S4-E48 WeakPolarHBondContact CB-OE1 3.49Å; S4-E48 PolarHBondContact OG-OE1 3.3Å
5	S	91.2	Very high	86.6	Confident	52 Å²	52	54.8 Å²	54.8	36%	0.364	32%	0.317	S	S	.	.			trans	-152.2	157.7	172.3	59.2	0	0	0	0	107.8	A7 L8 L9 E48	S5-A7 PolarHBondContact O-N 3.28Å; S5-A7 VanDerWaalsContact O-N 3.14Å; S5-L8 CarbonylContact O-C 3.59Å; S5-L8 WeakPolarHBondContact O-CA 3.26Å; S5-L8 WeakPolarHBondContact O-CB 3.07Å; S5-L8 PolarHBondContact O-N 3.45Å; S5-L8 PolarHBondContact OG-N 3.06Å; S5-L9 WeakPolarHBondContact O-CG 3.45Å; S5-L9 PolarHBondContact O-N 2.93Å; S5-E48 PolarHBondContact N-OE1 3.32Å
6	V	90.3	Very high	84.9	Confident	42 Å²	42	53.9 Å²	53.9	26%	0.255	31%	0.311	S	S	.	.	H	α-helix	trans	-49.4	-43.4	174.5	173.9	0	0	0	0	111.3	L8 L9 C10 L29 E48 L51	V6-L8 VanDerWaalsContact C-N 3.35Å; V6-L8 PolarHBondContact O-N 3.44Å; V6-L9 PolarHBondContact O-N 3.08Å; V6-C10 PolarHBondContact O-N 3.14Å; V6-C10 PolarHBondContact O-SG 3.47Å; V6-L29 HydrophobicContact CG1-CD1 3.98Å; V6-E48 HydrophobicContact CG2-CB 3.78Å; V6-L51 HydrophobicContact CG2-CD1 4.26Å
7	A	89.1	Confident	83.1	Confident	31 Å²	31	61.5 Å²	61.5	26%	0.256	34%	0.339	S	S	.	.	H	α-helix	trans	-63	-38	177.2	0	0	0	0	0	113	S5 K11	S5-A7 PolarHBondContact O-N 3.28Å; S5-A7 VanDerWaalsContact O-N 3.14Å; A7-K11 WeakPolarHBondContact O-CB 3.49Å; A7-K11 WeakPolarHBondContact O-CD 3.16Å; A7-K11 WeakPolarHBondContact O-CG 3.31Å; A7-K11 PolarHBondContact O-N 3.27Å
8	L	91.1	Very high	81.6	Confident	39 Å²	39	69.8 Å²	69.8	20%	0.204	37%	0.365	C	S	.	.	H	α-helix	trans	-68.5	-45.2	174.3	-178.6	65.5	0	0	0	111.1	S5 V6 C10 K11 S12 L37 K40 L42	S5-L8 CarbonylContact O-C 3.59Å; S5-L8 WeakPolarHBondContact O-CA 3.26Å; S5-L8 WeakPolarHBondContact O-CB 3.07Å; S5-L8 PolarHBondContact O-N 3.45Å; S5-L8 PolarHBondContact OG-N 3.06Å; V6-L8 VanDerWaalsContact C-N 3.35Å; V6-L8 PolarHBondContact O-N 3.44Å; L8-C10 PolarHBondContact O-N 3.14Å; L8-K11 PolarHBondContact O-N 2.48Å; L8-K11 VanDerWaalsContact O-N 3.17Å; L8-S12 VanDerWaalsContact O-CB 3.23Å; L8-S12 WeakPolarHBondContact O-CB 3.34Å; L8-S12 PolarHBondContact O-N 3.46Å; L8-S12 PolarHBondContact O-OG 3.21Å; L8-L37 HydrophobicContact CD2-CD2 4.07Å; L8-L37 HydrophobicContact CG-CD2 4.03Å; L8-K40 HydrophobicContact CD1-CD 4.48Å; L8-L42 HydrophobicContact CD2-CD2 3.85Å
9	L	91.7	Very high	80	Confident	0 Å²	0	76 Å²	76	0%	0	39%	0.391	C	S	.	.	H	α-helix	trans	-55.8	-51.2	177.7	-60.5	-172.4	0	0	0	110.4	S5 V6 K11 S12 T13 L29 L35 L37 E48 M49	S5-L9 WeakPolarHBondContact O-CG 3.45Å; S5-L9 PolarHBondContact O-N 2.93Å; V6-L9 PolarHBondContact O-N 3.08Å; L9-K11 VanDerWaalsContact C-N 3.29Å; L9-K11 PolarHBondContact O-N 3.26Å; L9-S12 PolarHBondContact O-N 3.23Å; L9-T13 WeakPolarHBondContact O-CG2 3.5Å; L9-L29 HydrophobicContact CB-CD1 4Å; L9-L29 HydrophobicContact CB-CD2 3.68Å; L9-L29 HydrophobicContact CD1-CD1 3.85Å; L9-L29 HydrophobicContact CD1-CD2 4.49Å; L9-L35 HydrophobicContact CD2-CD1 4.4Å; L9-L35 HydrophobicContact CD2-CD2 3.89Å; L9-L37 HydrophobicContact CD2-CD1 3.82Å; L9-L37 HydrophobicContact CD2-CD2 4.2Å; L9-E48 HydrophobicContact CD1-CB 4.1Å; L9-E48 HydrophobicContact CD1-CG 3.54Å; L9-E48 HydrophobicContact CG-CG 4.19Å; L9-M49 HydrophobicContact CD1-SD 4.23Å; L9-M49 HydrophobicContact CD2-SD 3.78Å
10	C	89.3	Confident	78.7	Confident	0 Å²	0	79.3 Å²	79.3	0%	0	40%	0.402	C	S	.	.	H	α-helix	trans	-61.6	-33.5	178.6	-65.1	0	0	0	0	113.6	V6 L8 S12 T13 L16 I21 S25	V6-C10 PolarHBondContact O-N 3.14Å; V6-C10 PolarHBondContact O-SG 3.47Å; L8-C10 PolarHBondContact O-N 3.14Å; C10-S12 VanDerWaalsContact C-N 3.26Å; C10-T13 PolarHBondContact O-OG1 3.27Å; C10-L16 HydrophobicContact CB-CD2 4.13Å; C10-I21 HydrophobicContact CB-CG1 4.26Å; C10-I21 HydrophobicContact CB-CG2 3.86Å; C10-S25 VanDerWaalsContact SG-CB 3.55Å
11	K	88.5	Confident	77.8	Confident	123 Å²	123	75.8 Å²	75.8	54%	0.535	39%	0.385	S	S	.	.	H	α-helix	trans	-76.2	-15.9	175.4	-72.9	171.9	-173.5	175.9	0	113.2	A7 L8 L9 I21	A7-K11 WeakPolarHBondContact O-CB 3.49Å; A7-K11 WeakPolarHBondContact O-CD 3.16Å; A7-K11 WeakPolarHBondContact O-CG 3.31Å; A7-K11 PolarHBondContact O-N 3.27Å; L8-K11 PolarHBondContact O-N 2.48Å; L8-K11 VanDerWaalsContact O-N 3.17Å; L9-K11 VanDerWaalsContact C-N 3.29Å; L9-K11 PolarHBondContact O-N 3.26Å; K11-I21 HydrophobicContact CD-CD1 4.41Å; K11-I21 HydrophobicContact CG-CD1 3.52Å
12	S	91	Very high	76.6	Confident	7 Å²	7	76 Å²	76	5%	0.049	38%	0.377	C	S	.	.	T	Hydrogen-bonded Turn	trans	-103.1	14.1	-173	-58.2	0	0	0	0	112.5	L8 L9 C10 Y36	L8-S12 VanDerWaalsContact O-CB 3.23Å; L8-S12 WeakPolarHBondContact O-CB 3.34Å; L8-S12 PolarHBondContact O-N 3.46Å; L8-S12 PolarHBondContact O-OG 3.21Å; L9-S12 PolarHBondContact O-N 3.23Å; C10-S12 VanDerWaalsContact C-N 3.26Å; S12-Y36 VanDerWaalsContact CB-O 3.31Å; S12-Y36 WeakPolarHBondContact CB-O 3.31Å; S12-Y36 WeakPolarHBondContact O-CB 3.16Å; S12-Y36 PolarHBondContact O-N 2.98Å
13	T	87.8	Confident	75.3	Confident	15 Å²	15	81.7 Å²	81.7	9%	0.092	40%	0.399	C	S	.	.	S	Bend	trans	-100.9	154.8	169.6	67.5	0	0	0	0	110.3	L9 C10 A15 Y28 I32 L35	L9-T13 WeakPolarHBondContact O-CG2 3.5Å; C10-T13 PolarHBondContact O-OG1 3.27Å; T13-A15 VanDerWaalsContact C-N 3.31Å; T13-A15 PolarHBondContact O-N 2.87Å; T13-Y28 VanDerWaalsContact CB-OH 3.28Å; T13-Y28 WeakPolarHBondContact CB-OH 3.33Å; T13-Y28 HydrophobicContact CG2-CE1 3.83Å; T13-Y28 WeakPolarHBondContact OG1-CE1 3.46Å; T13-Y28 PolarHBondContact OG1-OH 3.26Å; T13-I32 HydrophobicContact CG2-CB 4.37Å; T13-I32 HydrophobicContact CG2-CD1 3.76Å; T13-I32 HydrophobicContact CG2-CG2 3.82Å; T13-L35 HydrophobicContact CG2-CD1 4.18Å
14	S	72.3	Confident	74.2	Confident	102 Å²	102	81.4 Å²	81.4	71%	0.713	40%	0.401	S	S	*	.	S	Bend	trans	-69.6	-25.4	-179.2	50.4	0	0	0	0	113.8
15	A	64.3	Low	73.5	Confident	71 Å²	71	82.3 Å²	82.3	59%	0.587	41%	0.408	S	S	*	.	S	Bend	trans	-101.8	-21.1	-165.2	0	0	0	0	0	115.2	T13 K17	T13-A15 VanDerWaalsContact C-N 3.31Å; T13-A15 PolarHBondContact O-N 2.87Å; A15-K17 PolarHBondContact O-N 2.94Å
16	L	59.9	Low	73.2	Confident	40 Å²	40	85.1 Å²	85.1	21%	0.209	42%	0.415	C	S	.	.			trans	-83.1	105.2	-171.6	-136.7	80.2	0	0	0	112.1	C10 R18 I21 Y28	C10-L16 HydrophobicContact CB-CD2 4.13Å; L16-R18 PolarHBondContact O-N 3.28Å; L16-I21 HydrophobicContact CD2-CB 4.42Å; L16-I21 HydrophobicContact CD2-CG1 3.75Å; L16-Y28 HydrophobicContact CB-CE1 3.98Å; L16-Y28 HydrophobicContact CD1-CD1 3.67Å; L16-Y28 HydrophobicContact CD1-CD2 3.5Å; L16-Y28 VanDerWaalsContact CD1-CD2 3.5Å; L16-Y28 HydrophobicContact CD1-CE1 3.52Å; L16-Y28 HydrophobicContact CD1-CE2 3.37Å; L16-Y28 HydrophobicContact CD1-CG 3.63Å; L16-Y28 HydrophobicContact CD2-CD1 4.09Å; L16-Y28 HydrophobicContact CD2-CE1 4.17Å; L16-Y28 HydrophobicContact CG-CD1 4.36Å; L16-Y28 HydrophobicContact CG-CE1 4.08Å
17	K	54.5	Low	72.9	Confident	184 Å²	184	89.8 Å²	89.8	80%	0.8	43%	0.432	S	S	*	.			trans	-58.4	128.9	164.6	-67.9	-173.3	-178.5	-178.3	0	108.5	A15 H19 K20	A15-K17 PolarHBondContact O-N 2.94Å; K17-H19 PolarHBondContact O-N 3.31Å; K17-K20 PolarHBondContact O-N 3.45Å
18	R	55.5	Low	72.7	Confident	211 Å²	211	90.1 Å²	90.1	80%	0.796	43%	0.427	S	S	*	.	G	3₁₀ helix	trans	-45	-26.7	-173.2	-70.9	179.1	179	159.6	-0.6	115.5	L16 K20 I21	L16-R18 PolarHBondContact O-N 3.28Å; R18-K20 PolarHBondContact O-N 2.89Å; R18-I21 WeakPolarHBondContact O-CD1 3.49Å
19	H	51	Low	72.7	Confident	187 Å²	187	88.3 Å²	88.3	87%	0.866	42%	0.417	S	S	*	.	G	3₁₀ helix	trans	-80.8	-3.6	-171.3	-63	-62.2	0	0	0	116.2	K17	K17-H19 PolarHBondContact O-N 3.31Å
20	K	54.4	Low	72.6	Confident	141 Å²	141	93.5 Å²	93.5	61%	0.613	44%	0.44	S	S	*	.	G	3₁₀ helix	trans	-117.3	9.4	177.3	-74.1	-170.3	175.9	-173.6	0	115.3	K17 R18 Y22	K17-K20 PolarHBondContact O-N 3.45Å; R18-K20 PolarHBondContact O-N 2.89Å; K20-Y22 VanDerWaalsContact C-N 3.31Å; K20-Y22 PolarHBondContact O-N 3.33Å
21	I	59.1	Low	72.7	Confident	7 Å²	7	99.6 Å²	99.6	4%	0.036	47%	0.468	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.2	-38.2	-172.3	-69.8	163.2	0	0	0	112.6	C10 K11 L16 R18 S25	C10-I21 HydrophobicContact CB-CG1 4.26Å; C10-I21 HydrophobicContact CB-CG2 3.86Å; K11-I21 HydrophobicContact CD-CD1 4.41Å; K11-I21 HydrophobicContact CG-CD1 3.52Å; L16-I21 HydrophobicContact CD2-CB 4.42Å; L16-I21 HydrophobicContact CD2-CG1 3.75Å; R18-I21 WeakPolarHBondContact O-CD1 3.49Å; I21-S25 VanDerWaalsContact O-CB 3.27Å; I21-S25 WeakPolarHBondContact O-CB 3.31Å
22	Y	56.7	Low	72.9	Confident	187 Å²	187	94.2 Å²	94.2	73%	0.733	45%	0.445	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.8	-25.9	-167.4	-63.2	-72.1	0	0	0	115.3	K20	K20-Y22 VanDerWaalsContact C-N 3.31Å; K20-Y22 PolarHBondContact O-N 3.33Å
23	E	61.4	Low	73.1	Confident	181 Å²	181	97 Å²	97	85%	0.846	46%	0.462	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89	-20.9	-175.7	-81.2	-179.1	153.4	0	0	114.1
24	I	67	Low	73.4	Confident	83 Å²	83	99.4 Å²	99.4	43%	0.426	47%	0.472	S	S	.	.	S	Bend	trans	-136.1	18.1	-169.5	-41.9	176	0	0	0	112	E26 K27 Y28	I24-E26 PolarHBondContact O-N 3.2Å; I24-K27 HydrophobicContact CG2-CB 4.21Å; I24-Y28 WeakPolarHBondContact O-CB 3.27Å; I24-Y28 PolarHBondContact O-N 3.33Å
25	S	78.1	Confident	74.6	Confident	26 Å²	26	94.6 Å²	94.6	18%	0.182	44%	0.438	C	S	.	.	H	α-helix	trans	-55.3	-56.2	-170.4	48.1	0	0	0	0	113.9	C10 I21 Y28 L29	C10-S25 VanDerWaalsContact SG-CB 3.55Å; I21-S25 VanDerWaalsContact O-CB 3.27Å; I21-S25 WeakPolarHBondContact O-CB 3.31Å; S25-Y28 WeakPolarHBondContact O-CB 3.41Å; S25-Y28 PolarHBondContact O-N 2.98Å; S25-L29 WeakPolarHBondContact O-CG 3.16Å; S25-L29 PolarHBondContact O-N 3.38Å
26	E	83.8	Confident	76.1	Confident	111 Å²	111	95.2 Å²	95.2	52%	0.519	43%	0.426	S	S	.	.	H	α-helix	trans	-69.1	-42	-172.3	-64	-173.9	-172.4	0	0	112.9	I24 Y28 L29 K30 L51	I24-E26 PolarHBondContact O-N 3.2Å; E26-Y28 VanDerWaalsContact C-N 3.28Å; E26-Y28 PolarHBondContact O-N 3.23Å; E26-L29 PolarHBondContact O-N 3.03Å; E26-K30 PolarHBondContact O-N 2.95Å; E26-L51 HydrophobicContact CB-CD1 4.34Å; E26-L51 HydrophobicContact CG-CD1 3.96Å
27	K	84.3	Confident	77.8	Confident	139 Å²	139	93.3 Å²	93.3	60%	0.604	42%	0.416	S	S	*	.	H	α-helix	trans	-61.6	-43.1	176.1	-175.4	-179.8	178	-177.9	0	110.3	I24 K30	I24-K27 HydrophobicContact CG2-CB 4.21Å; K27-K30 WeakPolarHBondContact O-CB 3.14Å; K27-K30 PolarHBondContact O-N 3.45Å
28	Y	85.9	Confident	79.8	Confident	39 Å²	39	86.5 Å²	86.5	15%	0.153	39%	0.388	C	S	.	.	H	α-helix	trans	-61.2	-44.5	176.6	173.7	-107.2	0	0	0	112.2	T13 L16 I24 S25 E26 K30 E31 I32	T13-Y28 VanDerWaalsContact CB-OH 3.28Å; T13-Y28 WeakPolarHBondContact CB-OH 3.33Å; T13-Y28 HydrophobicContact CG2-CE1 3.83Å; T13-Y28 WeakPolarHBondContact OG1-CE1 3.46Å; T13-Y28 PolarHBondContact OG1-OH 3.26Å; L16-Y28 HydrophobicContact CB-CE1 3.98Å; L16-Y28 HydrophobicContact CD1-CD1 3.67Å; L16-Y28 HydrophobicContact CD1-CD2 3.5Å; L16-Y28 VanDerWaalsContact CD1-CD2 3.5Å; L16-Y28 HydrophobicContact CD1-CE1 3.52Å; L16-Y28 HydrophobicContact CD1-CE2 3.37Å; L16-Y28 HydrophobicContact CD1-CG 3.63Å; L16-Y28 HydrophobicContact CD2-CD1 4.09Å; L16-Y28 HydrophobicContact CD2-CE1 4.17Å; L16-Y28 HydrophobicContact CG-CD1 4.36Å; L16-Y28 HydrophobicContact CG-CE1 4.08Å; I24-Y28 WeakPolarHBondContact O-CB 3.27Å; I24-Y28 PolarHBondContact O-N 3.33Å; S25-Y28 WeakPolarHBondContact O-CB 3.41Å; S25-Y28 PolarHBondContact O-N 2.98Å; E26-Y28 VanDerWaalsContact C-N 3.28Å; E26-Y28 PolarHBondContact O-N 3.23Å; Y28-K30 PolarHBondContact O-N 2.9Å; Y28-E31 PolarHBondContact O-N 3Å; Y28-I32 HydrophobicContact CD1-CG2 4.08Å; Y28-I32 HydrophobicContact CD2-CG2 4.49Å; Y28-I32 HydrophobicContact CE1-CG2 3.59Å; Y28-I32 HydrophobicContact CE2-CG2 4.04Å; Y28-I32 WeakPolarHBondContact O-CG2 3.37Å; Y28-I32 PolarHBondContact O-N 3.01Å
29	L	90.6	Very high	81.8	Confident	0 Å²	0	78.6 Å²	78.6	0%	0	37%	0.372	C	S	.	.	H	α-helix	trans	-62.1	-22.7	178.7	-70.5	178.8	0	0	0	113.5	V6 L9 S25 E26 E31 I32 L51 C52	V6-L29 HydrophobicContact CG1-CD1 3.98Å; L9-L29 HydrophobicContact CB-CD1 4Å; L9-L29 HydrophobicContact CB-CD2 3.68Å; L9-L29 HydrophobicContact CD1-CD1 3.85Å; L9-L29 HydrophobicContact CD1-CD2 4.49Å; S25-L29 WeakPolarHBondContact O-CG 3.16Å; S25-L29 PolarHBondContact O-N 3.38Å; E26-L29 PolarHBondContact O-N 3.03Å; L29-E31 VanDerWaalsContact C-N 3.27Å; L29-E31 PolarHBondContact O-N 3.19Å; L29-I32 HydrophobicContact CD2-CD1 3.88Å; L29-I32 WeakPolarHBondContact O-CG1 3.49Å; L29-L51 HydrophobicContact CB-CB 4.09Å; L29-L51 HydrophobicContact CD1-CB 4.5Å; L29-L51 HydrophobicContact CD1-CD1 4.02Å; L29-C52 WeakPolarHBondContact O-CA 3.47Å
30	K	90.3	Very high	84	Confident	109 Å²	109	73.8 Å²	73.8	47%	0.474	35%	0.349	S	S	.	.	H	α-helix	trans	-70.7	-22.3	175.2	-69.3	176	-177.3	-177.6	0	113.7	E26 K27 Y28 L51 C54	E26-K30 PolarHBondContact O-N 2.95Å; K27-K30 WeakPolarHBondContact O-CB 3.14Å; K27-K30 PolarHBondContact O-N 3.45Å; Y28-K30 PolarHBondContact O-N 2.9Å; K30-L51 VanDerWaalsContact CA-O 3.31Å; K30-L51 WeakPolarHBondContact CA-O 3.46Å; K30-L51 WeakPolarHBondContact CG-O 3.11Å; K30-C54 WeakPolarHBondContact O-CB 3.46Å; K30-C54 PolarHBondContact O-SG 3.03Å
31	E	90.1	Very high	86	Confident	129 Å²	129	71.2 Å²	71.2	60%	0.603	34%	0.342	S	S	*	.	H	α-helix	trans	-103.4	-8.8	-173.6	-63.8	174.4	-171.6	0	0	112.8	Y28 L29	Y28-E31 PolarHBondContact O-N 3Å; L29-E31 VanDerWaalsContact C-N 3.27Å; L29-E31 PolarHBondContact O-N 3.19Å
32	I	92.4	Very high	87.8	Confident	10 Å²	10	70.9 Å²	70.9	5%	0.051	34%	0.341	C	S	.	.			trans	-72.7	140.4	-177	67.7	165.2	0	0	0	110.9	T13 Y28 L29 L35 C52 C54 L55	T13-I32 HydrophobicContact CG2-CB 4.37Å; T13-I32 HydrophobicContact CG2-CD1 3.76Å; T13-I32 HydrophobicContact CG2-CG2 3.82Å; Y28-I32 HydrophobicContact CD1-CG2 4.08Å; Y28-I32 HydrophobicContact CD2-CG2 4.49Å; Y28-I32 HydrophobicContact CE1-CG2 3.59Å; Y28-I32 HydrophobicContact CE2-CG2 4.04Å; Y28-I32 WeakPolarHBondContact O-CG2 3.37Å; Y28-I32 PolarHBondContact O-N 3.01Å; L29-I32 HydrophobicContact CD2-CD1 3.88Å; L29-I32 WeakPolarHBondContact O-CG1 3.49Å; I32-L35 HydrophobicContact CD1-CB 4.19Å; I32-L35 HydrophobicContact CD1-CD1 4.13Å; I32-L35 HydrophobicContact CD1-CD2 4.47Å; I32-L35 HydrophobicContact CD1-CG 4.49Å; I32-C52 HydrophobicContact CD1-CB 4.5Å; I32-C52 HydrophobicContact CG1-CB 4.49Å; I32-C54 CarbonylContact O-C 3.24Å; I32-C54 VanDerWaalsContact O-C 3.24Å; I32-L55 HydrophobicContact CD1-CD1 4.18Å; I32-L55 HydrophobicContact CG1-CD1 4.23Å; I32-L55 PolarHBondContact O-N 3.11Å
33	T	95.3	Very high	89.7	Confident	65 Å²	65	64.4 Å²	64.4	40%	0.399	32%	0.318	S	S	.	.			trans	-108.1	-25.1	177.7	56.1	0	0	0	0	112.6	L55 T56 V57	T33-L55 WeakPolarHBondContact O-CD1 3.3Å; T33-T56 PolarHBondContact O-N 3.43Å; T33-T56 PolarHBondContact O-OG1 3.06Å; T33-V57 PolarHBondContact O-N 3.17Å
34	H	95.8	Very high	91.3	Very high	66 Å²	66	59 Å²	59	31%	0.306	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	135.4	-178.9	-62.9	67.6	0	0	0	110.5	Y36 V57	H34-Y36 HydrophobicContact CB-CE2 4.06Å; H34-V57 WeakPolarHBondContact CA-O 3.29Å; H34-V57 WeakPolarHBondContact NE2-CG2 3.29Å
35	L	95.8	Very high	92.6	Very high	0 Å²	0	55.4 Å²	55.4	0%	0	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	123.5	-178	179.3	62	0	0	0	111.2	L9 T13 I32 L37 M49 L55 V57 L58 Y59	L9-L35 HydrophobicContact CD2-CD1 4.4Å; L9-L35 HydrophobicContact CD2-CD2 3.89Å; T13-L35 HydrophobicContact CG2-CD1 4.18Å; I32-L35 HydrophobicContact CD1-CB 4.19Å; I32-L35 HydrophobicContact CD1-CD1 4.13Å; I32-L35 HydrophobicContact CD1-CD2 4.47Å; I32-L35 HydrophobicContact CD1-CG 4.49Å; L35-L37 HydrophobicContact CD1-CG 4.29Å; L35-L37 HydrophobicContact CD2-CD1 3.87Å; L35-L37 HydrophobicContact CD2-CG 4.27Å; L35-L37 HydrophobicContact CG-CD1 4.14Å; L35-L37 HydrophobicContact CG-CG 3.97Å; L35-M49 HydrophobicContact CD2-CE 3.91Å; L35-M49 HydrophobicContact CD2-SD 4.06Å; L35-L55 HydrophobicContact CB-CD1 3.5Å; L35-L55 HydrophobicContact CB-CD2 4.15Å; L35-L55 HydrophobicContact CB-CG 4.49Å; L35-L55 HydrophobicContact CD2-CD2 4.27Å; L35-V57 PolarHBondContact N-O 3.08Å; L35-V57 VanDerWaalsContact N-O 3.11Å; L35-L58 HydrophobicContact CB-CD1 4.1Å; L35-L58 HydrophobicContact CD2-CD1 3.89Å; L35-L58 HydrophobicContact CG-CD1 4.07Å; L35-Y59 PolarHBondContact O-N 3.32Å
36	Y	96.2	Very high	93.3	Very high	84 Å²	84	54.2 Å²	54.2	33%	0.329	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	81.6	-171.1	-58.9	-90.4	0	0	0	112	S12 H34 Y59	S12-Y36 VanDerWaalsContact CB-O 3.31Å; S12-Y36 WeakPolarHBondContact CB-O 3.31Å; S12-Y36 WeakPolarHBondContact O-CB 3.16Å; S12-Y36 PolarHBondContact O-N 2.98Å; H34-Y36 HydrophobicContact CB-CE2 4.06Å; Y36-Y59 AromaticContact CD1-CD2 3.44Å; Y36-Y59 HydrophobicContact CD1-CD2 3.44Å; Y36-Y59 VanDerWaalsContact CD1-CD2 3.44Å; Y36-Y59 AromaticContact CD1-CE2 3.73Å; Y36-Y59 HydrophobicContact CD1-CE2 3.73Å; Y36-Y59 HydrophobicContact CD1-CG 4.12Å; Y36-Y59 AromaticContact CE1-CD2 3.58Å; Y36-Y59 HydrophobicContact CE1-CD2 3.58Å; Y36-Y59 AromaticContact CE1-CE2 3.31Å; Y36-Y59 HydrophobicContact CE1-CE2 3.31Å; Y36-Y59 HydrophobicContact CE1-CG 4.47Å; Y36-Y59 HydrophobicContact CG-CD2 4.13Å; Y36-Y59 AromaticContact CZ-CE2 3.91Å
37	L	96.5	Very high	93.7	Very high	0 Å²	0	53.7 Å²	53.7	0%	0	27%	0.267	C	S	.	.			trans	-100.1	15.5	178.7	-68.3	176.2	0	0	0	113.2	L8 L9 L35 K40 L42 L45 M49 L58 Y59 L60 N63	L8-L37 HydrophobicContact CD2-CD2 4.07Å; L8-L37 HydrophobicContact CG-CD2 4.03Å; L9-L37 HydrophobicContact CD2-CD1 3.82Å; L9-L37 HydrophobicContact CD2-CD2 4.2Å; L35-L37 HydrophobicContact CD1-CG 4.29Å; L35-L37 HydrophobicContact CD2-CD1 3.87Å; L35-L37 HydrophobicContact CD2-CG 4.27Å; L35-L37 HydrophobicContact CG-CD1 4.14Å; L35-L37 HydrophobicContact CG-CG 3.97Å; L37-K40 VanDerWaalsContact O-CG 3.3Å; L37-K40 WeakPolarHBondContact O-CG 3.35Å; L37-L42 HydrophobicContact CB-CD1 3.83Å; L37-L42 HydrophobicContact CD1-CD1 4.33Å; L37-L42 HydrophobicContact CD2-CD1 4.27Å; L37-L42 HydrophobicContact CG-CD1 4.37Å; L37-L45 HydrophobicContact CD1-CD2 3.85Å; L37-M49 HydrophobicContact CD1-SD 4.42Å; L37-L58 HydrophobicContact CD1-CD1 4.34Å; L37-Y59 CarbonylContact C-O 3.19Å; L37-Y59 VanDerWaalsContact CA-O 3.25Å; L37-Y59 WeakPolarHBondContact CA-O 3.45Å; L37-Y59 WeakPolarHBondContact CB-O 3.36Å; L37-Y59 PolarHBondContact N-O 2.83Å; L37-L60 HydrophobicContact CB-CD2 3.65Å; L37-L60 HydrophobicContact CD1-CD2 3.96Å; L37-L60 HydrophobicContact CG-CD2 4.48Å; L37-N63 PolarHBondContact O-ND2 3.02Å
38	N	96.9	Very high	94.1	Very high	41 Å²	41	48.1 Å²	48.1	22%	0.219	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.3	144.8	177.1	63	-70.9	0	0	0	112.3	K40 Y59 Y61	N38-K40 VanDerWaalsContact C-N 3.25Å; N38-K40 PolarHBondContact O-N 3.48Å; N38-Y59 PolarHBondContact N-O 3.49Å; N38-Y59 VanDerWaalsContact N-O 3.15Å; N38-Y61 WeakPolarHBondContact CA-O 3.31Å; N38-Y61 HydrophobicContact CB-CD1 3.69Å; N38-Y61 HydrophobicContact CB-CD2 3.91Å; N38-Y61 HydrophobicContact CB-CE1 3.45Å; N38-Y61 VanDerWaalsContact CB-CE1 3.45Å; N38-Y61 HydrophobicContact CB-CE2 3.69Å; N38-Y61 HydrophobicContact CB-CG 3.9Å; N38-Y61 VanDerWaalsContact CB-CZ 3.46Å; N38-Y61 VanDerWaalsContact CB-O 3.28Å; N38-Y61 WeakPolarHBondContact CB-O 3.44Å; N38-Y61 PolarHBondContact ND2-OH 3.17Å; N38-Y61 VanDerWaalsContact ND2-OH 3.12Å
39	G	96.8	Very high	94.5	Very high	45 Å²	45	46.2 Å²	46.2	46%	0.464	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	64.7	25.4	175.8	0	0	0	0	0	114.4	Y61 D62	G39-Y61 PolarHBondContact N-O 3.24Å; G39-Y61 VanDerWaalsContact N-O 3.13Å; G39-D62 WeakPolarHBondContact CA-O 3.22Å; G39-D62 PolarHBondContact N-O 3.27Å
40	K	96.4	Very high	94.6	Very high	86 Å²	86	48.9 Å²	48.9	37%	0.374	26%	0.258	S	S	.	.	S	Bend	trans	-97.3	4.6	-176.3	-61.2	-54	-179.7	-167.8	0	113.5	L8 L37 N38 L42 N63	L8-K40 HydrophobicContact CD1-CD 4.48Å; L37-K40 VanDerWaalsContact O-CG 3.3Å; L37-K40 WeakPolarHBondContact O-CG 3.35Å; N38-K40 VanDerWaalsContact C-N 3.25Å; N38-K40 PolarHBondContact O-N 3.48Å; K40-L42 HydrophobicContact CB-CD1 3.8Å; K40-L42 HydrophobicContact CB-CG 3.74Å; K40-L42 HydrophobicContact CG-CD1 4.43Å; K40-L42 PolarHBondContact O-N 3.09Å; K40-N63 WeakPolarHBondContact CA-OD1 3.34Å; K40-N63 PolarHBondContact N-OD1 3.31Å
41	N	96.8	Very high	94.7	Very high	88 Å²	88	45.3 Å²	45.3	47%	0.471	24%	0.244	S	C	.	.			trans	56.3	28.6	-173.6	-64.9	-67.3	0	0	0	113	V2 D43 N63	V2-N41 VanDerWaalsContact CB-O 3.31Å; V2-N41 WeakPolarHBondContact CB-O 3.22Å; N41-D43 PolarHBondContact O-N 3.05Å; N41-N63 PolarHBondContact N-OD1 2.98Å; N41-N63 VanDerWaalsContact N-OD1 3.09Å
42	L	97.4	Very high	94.8	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	22%	0.215	C	C	.	.			trans	-67.8	129	-176.8	-69.9	162	0	0	0	110.7	V2 L8 L37 K40 L45 L60 N63 K64 L65	V2-L42 HydrophobicContact CG1-CD2 4.21Å; L8-L42 HydrophobicContact CD2-CD2 3.85Å; L37-L42 HydrophobicContact CB-CD1 3.83Å; L37-L42 HydrophobicContact CD1-CD1 4.33Å; L37-L42 HydrophobicContact CD2-CD1 4.27Å; L37-L42 HydrophobicContact CG-CD1 4.37Å; K40-L42 HydrophobicContact CB-CD1 3.8Å; K40-L42 HydrophobicContact CB-CG 3.74Å; K40-L42 HydrophobicContact CG-CD1 4.43Å; K40-L42 PolarHBondContact O-N 3.09Å; L42-L45 HydrophobicContact CD1-CD2 3.9Å; L42-L60 HydrophobicContact CD1-CD2 4.33Å; L42-N63 HydrophobicContact CB-CB 4.23Å; L42-N63 PolarHBondContact N-OD1 3.31Å; L42-K64 CarbonylContact O-C 3.56Å; L42-K64 VanDerWaalsContact O-C 3.3Å; L42-K64 WeakPolarHBondContact O-CA 3.22Å; L42-K64 PolarHBondContact O-N 3.08Å; L42-L65 HydrophobicContact CB-CD2 4.33Å; L42-L65 PolarHBondContact O-N 3.42Å
43	D	96.3	Very high	94.9	Very high	50 Å²	50	45 Å²	45	27%	0.267	24%	0.242	S	C	.	.	S	Bend	trans	-91.7	-29.6	170.7	-64.6	-73.6	0	0	0	110.8	M1 V2 N41	M1-D43 VanDerWaalsContact C-OD2 3.29Å; M1-D43 WeakPolarHBondContact CA-OD2 3.49Å; M1-D43 HydrophobicContact CG-CB 3.83Å; V2-D43 PolarHBondContact N-OD2 3.27Å; V2-D43 PolarHBondContact O-N 2.7Å; N41-D43 PolarHBondContact O-N 3.05Å
44	E	95.1	Very high	94.8	Very high	68 Å²	68	44.7 Å²	44.7	32%	0.318	24%	0.242	S	C	.	.	B	Isolated β-bridge	trans	-153	157.9	177.5	52.9	163.7	-141.3	0	0	112.5	M1 K3 S4	M1-E44 HydrophobicContact CG-CG 4.48Å; K3-E44 WeakPolarHBondContact CA-O 3.43Å; K3-E44 HydrophobicContact CB-CG 4.11Å; K3-E44 WeakPolarHBondContact CD-OE1 3.19Å; K3-E44 VanDerWaalsContact CE-OE1 3.26Å; K3-E44 WeakPolarHBondContact CE-OE1 3.33Å; K3-E44 HydrophobicContact CG-CG 3.94Å; K3-E44 WeakPolarHBondContact CG-OE1 3.38Å; K3-E44 IonicContact NZ-OE1 3.28Å; K3-E44 PolarHBondContact NZ-OE1 3.28Å; S4-E44 PolarHBondContact N-O 2.85Å
45	L	94.6	Very high	94.9	Very high	8 Å²	8	41.6 Å²	41.6	4%	0.042	23%	0.228	C	C	.	.			trans	-101.9	144.7	162.7	-55.2	-176.6	0	0	0	110.9	S4 L37 L42 M49 L60 P69 Y71	S4-L45 VanDerWaalsContact OG-CA 3.31Å; S4-L45 WeakPolarHBondContact OG-CA 3.35Å; L37-L45 HydrophobicContact CD1-CD2 3.85Å; L42-L45 HydrophobicContact CD1-CD2 3.9Å; L45-M49 HydrophobicContact CB-CG 3.9Å; L45-M49 HydrophobicContact CD1-CE 4.26Å; L45-M49 HydrophobicContact CD1-CG 3.93Å; L45-M49 HydrophobicContact CD1-SD 3.99Å; L45-M49 HydrophobicContact CG-CG 4.48Å; L45-L60 HydrophobicContact CD1-CD1 3.83Å; L45-L60 HydrophobicContact CD1-CD2 3.84Å; L45-L60 HydrophobicContact CD1-CG 4.45Å; L45-L60 HydrophobicContact CD2-CD2 3.92Å; L45-L60 HydrophobicContact CG-CD2 4.24Å; L45-P69 HydrophobicContact CB-CB 3.88Å; L45-P69 HydrophobicContact CB-CG 4.21Å; L45-P69 HydrophobicContact CD1-CB 3.89Å; L45-P69 HydrophobicContact CD1-CG 3.64Å; L45-P69 HydrophobicContact CG-CB 3.99Å; L45-P69 HydrophobicContact CG-CG 3.75Å; L45-Y71 WeakPolarHBondContact O-CD2 3.34Å
46	G	92	Very high	95	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	24%	0.239	C	C	.	.			trans	-92.5	179.9	177.3	0	0	0	0	0	115	S4 E48 M49 Y71	S4-G46 PolarHBondContact OG-N 3.42Å; G46-E48 WeakPolarHBondContact CA-OE2 3.42Å; G46-E48 PolarHBondContact N-OE1 3.17Å; G46-E48 PolarHBondContact O-N 3.43Å; G46-M49 WeakPolarHBondContact O-CB 2.99Å; G46-M49 WeakPolarHBondContact O-CG 3.31Å; G46-M49 PolarHBondContact O-N 2.88Å; G46-Y71 VanDerWaalsContact O-CD2 3.31Å; G46-Y71 WeakPolarHBondContact O-CD2 3.43Å
47	D	92.9	Very high	95.1	Very high	100 Å²	100	39.9 Å²	39.9	54%	0.535	23%	0.226	S	C	.	.	G	3₁₀ helix	trans	-67.7	-16.9	179.7	56.5	-35.4	0	0	0	112.9	M49 A50 Y71	D47-M49 PolarHBondContact O-N 3.18Å; D47-A50 WeakPolarHBondContact O-CB 3.42Å; D47-A50 PolarHBondContact O-N 2.81Å; D47-Y71 HydrophobicContact CB-CD1 4.01Å; D47-Y71 HydrophobicContact CB-CE1 3.66Å; D47-Y71 HydrophobicContact CB-CE2 4.24Å; D47-Y71 HydrophobicContact CB-CG 4.43Å
48	E	92	Very high	95.2	Very high	22 Å²	22	39.9 Å²	39.9	10%	0.103	23%	0.226	C	C	.	.	G	3₁₀ helix	trans	-57.3	-20.9	170.6	66	-85.2	-168.9	0	0	113.4	S4 S5 V6 L9 G46 A50 L51	S4-E48 WeakPolarHBondContact CA-OE1 3.29Å; S4-E48 WeakPolarHBondContact CB-OE1 3.49Å; S4-E48 PolarHBondContact OG-OE1 3.3Å; S5-E48 PolarHBondContact N-OE1 3.32Å; V6-E48 HydrophobicContact CG2-CB 3.78Å; L9-E48 HydrophobicContact CD1-CB 4.1Å; L9-E48 HydrophobicContact CD1-CG 3.54Å; L9-E48 HydrophobicContact CG-CG 4.19Å; G46-E48 WeakPolarHBondContact CA-OE2 3.42Å; G46-E48 PolarHBondContact N-OE1 3.17Å; G46-E48 PolarHBondContact O-N 3.43Å; E48-A50 PolarHBondContact O-N 3.45Å; E48-L51 VanDerWaalsContact O-CB 3.29Å; E48-L51 WeakPolarHBondContact O-CB 3.19Å; E48-L51 WeakPolarHBondContact O-CG 3.42Å; E48-L51 PolarHBondContact O-N 2.97Å; E48-L51 VanDerWaalsContact O-N 3.08Å
49	M	94.5	Very high	95.3	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	23%	0.225	C	C	.	.	G	3₁₀ helix	trans	-60.3	-25.7	172.6	-71.2	-59.3	-57.3	0	0	112.5	L9 L35 L37 L45 G46 D47 L51 C52 L55 L58 L72 L74	L9-M49 HydrophobicContact CD1-SD 4.23Å; L9-M49 HydrophobicContact CD2-SD 3.78Å; L35-M49 HydrophobicContact CD2-CE 3.91Å; L35-M49 HydrophobicContact CD2-SD 4.06Å; L37-M49 HydrophobicContact CD1-SD 4.42Å; L45-M49 HydrophobicContact CB-CG 3.9Å; L45-M49 HydrophobicContact CD1-CE 4.26Å; L45-M49 HydrophobicContact CD1-CG 3.93Å; L45-M49 HydrophobicContact CD1-SD 3.99Å; L45-M49 HydrophobicContact CG-CG 4.48Å; G46-M49 WeakPolarHBondContact O-CB 2.99Å; G46-M49 WeakPolarHBondContact O-CG 3.31Å; G46-M49 PolarHBondContact O-N 2.88Å; D47-M49 PolarHBondContact O-N 3.18Å; M49-L51 PolarHBondContact O-N 3.01Å; M49-L51 VanDerWaalsContact O-N 3.14Å; M49-C52 PolarHBondContact O-N 3.3Å; M49-L55 HydrophobicContact CE-CD2 4.3Å; M49-L58 HydrophobicContact CE-CD1 4.39Å; M49-L58 HydrophobicContact CE-CD2 3.95Å; M49-L72 HydrophobicContact CE-CD2 4.38Å; M49-L74 HydrophobicContact CE-CD1 4.02Å
50	A	92.4	Very high	95.3	Very high	56 Å²	56	38 Å²	38	46%	0.463	20%	0.202	S	C	.	.	G	3₁₀ helix	trans	-63.9	-16.3	176.1	0	0	0	0	0	113.4	D47 E48 C52 Q53	D47-A50 WeakPolarHBondContact O-CB 3.42Å; D47-A50 PolarHBondContact O-N 2.81Å; E48-A50 PolarHBondContact O-N 3.45Å; A50-C52 VanDerWaalsContact C-N 3.33Å; A50-Q53 WeakPolarHBondContact O-CG 3.45Å; A50-Q53 PolarHBondContact O-NE2 3.15Å
51	L	92	Very high	95.4	Very high	34 Å²	34	37.4 Å²	37.4	18%	0.178	20%	0.198	C	C	.	.	G	3₁₀ helix	trans	-73	-26.5	173.8	-61.8	172.6	0	0	0	112.1	V6 E26 L29 K30 E48 M49 Q53	V6-L51 HydrophobicContact CG2-CD1 4.26Å; E26-L51 HydrophobicContact CB-CD1 4.34Å; E26-L51 HydrophobicContact CG-CD1 3.96Å; L29-L51 HydrophobicContact CB-CB 4.09Å; L29-L51 HydrophobicContact CD1-CB 4.5Å; L29-L51 HydrophobicContact CD1-CD1 4.02Å; K30-L51 VanDerWaalsContact CA-O 3.31Å; K30-L51 WeakPolarHBondContact CA-O 3.46Å; K30-L51 WeakPolarHBondContact CG-O 3.11Å; E48-L51 VanDerWaalsContact O-CB 3.29Å; E48-L51 WeakPolarHBondContact O-CB 3.19Å; E48-L51 WeakPolarHBondContact O-CG 3.42Å; E48-L51 PolarHBondContact O-N 2.97Å; E48-L51 VanDerWaalsContact O-N 3.08Å; M49-L51 PolarHBondContact O-N 3.01Å; M49-L51 VanDerWaalsContact O-N 3.14Å; L51-Q53 VanDerWaalsContact C-N 3.26Å; L51-Q53 PolarHBondContact O-N 3.34Å
52	C	93.9	Very high	95.5	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	20%	0.195	C	C	.	.			trans	-85.4	47.4	-171.3	-59.9	0	0	0	0	113.6	L29 I32 M49 A50 C54 L55 L74	L29-C52 WeakPolarHBondContact O-CA 3.47Å; I32-C52 HydrophobicContact CD1-CB 4.5Å; I32-C52 HydrophobicContact CG1-CB 4.49Å; M49-C52 PolarHBondContact O-N 3.3Å; A50-C52 VanDerWaalsContact C-N 3.33Å; C52-C54 VanDerWaalsContact C-N 3.26Å; C52-C54 PolarHBondContact O-N 2.67Å; C52-L55 HydrophobicContact CB-CB 4.13Å; C52-L55 WeakPolarHBondContact O-CB 3.5Å; C52-L55 PolarHBondContact O-N 3.28Å; C52-L74 WeakPolarHBondContact O-CD2 3.31Å
53	Q	92.5	Very high	95.6	Very high	131 Å²	131	37.2 Å²	37.2	61%	0.612	20%	0.197	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.1	-22.2	-170.4	-62.1	-177.3	-1.4	0	0	114.8	A50 L51 L55 Q76	A50-Q53 WeakPolarHBondContact O-CG 3.45Å; A50-Q53 PolarHBondContact O-NE2 3.15Å; L51-Q53 VanDerWaalsContact C-N 3.26Å; L51-Q53 PolarHBondContact O-N 3.34Å; Q53-L55 VanDerWaalsContact C-N 3.32Å; Q53-Q76 WeakPolarHBondContact O-CG 3.23Å
54	C	95.2	Very high	95.7	Very high	60 Å²	60	39.1 Å²	39.1	41%	0.405	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.8	5	174.8	-65.1	0	0	0	0	113.6	K30 I32 C52 T56	K30-C54 WeakPolarHBondContact O-CB 3.46Å; K30-C54 PolarHBondContact O-SG 3.03Å; I32-C54 CarbonylContact O-C 3.24Å; I32-C54 VanDerWaalsContact O-C 3.24Å; C52-C54 VanDerWaalsContact C-N 3.26Å; C52-C54 PolarHBondContact O-N 2.67Å; C54-T56 PolarHBondContact O-N 2.71Å
55	L	96.9	Very high	95.8	Very high	0 Å²	0	36 Å²	36	0%	0	19%	0.188	C	C	.	.			trans	-67.8	123.8	-175.2	-164.8	74.7	0	0	0	111.2	I32 T33 L35 M49 C52 Q53 L58 L74 Q76 L77	I32-L55 HydrophobicContact CD1-CD1 4.18Å; I32-L55 HydrophobicContact CG1-CD1 4.23Å; I32-L55 PolarHBondContact O-N 3.11Å; T33-L55 WeakPolarHBondContact O-CD1 3.3Å; L35-L55 HydrophobicContact CB-CD1 3.5Å; L35-L55 HydrophobicContact CB-CD2 4.15Å; L35-L55 HydrophobicContact CB-CG 4.49Å; L35-L55 HydrophobicContact CD2-CD2 4.27Å; M49-L55 HydrophobicContact CE-CD2 4.3Å; C52-L55 HydrophobicContact CB-CB 4.13Å; C52-L55 WeakPolarHBondContact O-CB 3.5Å; C52-L55 PolarHBondContact O-N 3.28Å; Q53-L55 VanDerWaalsContact C-N 3.32Å; L55-L58 HydrophobicContact CD2-CB 3.85Å; L55-L58 HydrophobicContact CD2-CD1 4.1Å; L55-L58 HydrophobicContact CD2-CD2 4.19Å; L55-L58 HydrophobicContact CD2-CG 4.27Å; L55-L74 HydrophobicContact CB-CD1 4.39Å; L55-L74 HydrophobicContact CD2-CD1 3.76Å; L55-Q76 CarbonylContact O-C 3.56Å; L55-Q76 VanDerWaalsContact O-C 3.27Å; L55-L77 HydrophobicContact CD2-CD1 4.07Å; L55-L77 HydrophobicContact CG-CD1 4.11Å; L55-L77 WeakPolarHBondContact O-CA 3.48Å; L55-L77 PolarHBondContact O-N 2.82Å
56	T	98.1	Very high	95.9	Very high	38 Å²	38	42.7 Å²	42.7	23%	0.233	22%	0.217	C	C	.	.			trans	-105.8	-30.9	178	59.1	0	0	0	0	112	T33 C54 Q76 T78 H79	T33-T56 PolarHBondContact O-N 3.43Å; T33-T56 PolarHBondContact O-OG1 3.06Å; C54-T56 PolarHBondContact O-N 2.71Å; T56-Q76 HydrophobicContact CG2-CB 4.49Å; T56-T78 PolarHBondContact O-N 2.78Å; T56-T78 PolarHBondContact O-OG1 3.49Å; T56-H79 PolarHBondContact O-N 2.87Å; T56-H79 VanDerWaalsContact O-N 3.08Å
57	V	98.3	Very high	96.2	Very high	11 Å²	11	45.3 Å²	45.3	7%	0.067	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	125.3	-178.3	-174.3	0	0	0	0	111.2	T33 H34 L35 Y59 H79 Y81	T33-V57 PolarHBondContact O-N 3.17Å; H34-V57 WeakPolarHBondContact CA-O 3.29Å; H34-V57 WeakPolarHBondContact NE2-CG2 3.29Å; L35-V57 PolarHBondContact N-O 3.08Å; L35-V57 VanDerWaalsContact N-O 3.11Å; V57-Y59 HydrophobicContact CB-CE2 4.41Å; V57-Y59 HydrophobicContact CG1-CD2 4.1Å; V57-Y59 HydrophobicContact CG1-CE1 4.2Å; V57-Y59 HydrophobicContact CG1-CE2 3.41Å; V57-Y59 VanDerWaalsContact CG1-CE2 3.41Å; V57-Y59 VanDerWaalsContact CG1-CZ 3.47Å; V57-H79 HydrophobicContact CB-CB 4.34Å; V57-H79 HydrophobicContact CG1-CB 3.95Å; V57-H79 HydrophobicContact CG2-CB 4.08Å; V57-Y81 HydrophobicContact CG1-CD2 4.41Å; V57-Y81 HydrophobicContact CG1-CE2 3.93Å
58	L	98.2	Very high	96.4	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	118.2	179.6	-179.6	51.8	0	0	0	111.6	L35 L37 M49 L55 L60 L72 L74 L77 H79 L80 Y81	L35-L58 HydrophobicContact CB-CD1 4.1Å; L35-L58 HydrophobicContact CD2-CD1 3.89Å; L35-L58 HydrophobicContact CG-CD1 4.07Å; L37-L58 HydrophobicContact CD1-CD1 4.34Å; M49-L58 HydrophobicContact CE-CD1 4.39Å; M49-L58 HydrophobicContact CE-CD2 3.95Å; L55-L58 HydrophobicContact CD2-CB 3.85Å; L55-L58 HydrophobicContact CD2-CD1 4.1Å; L55-L58 HydrophobicContact CD2-CD2 4.19Å; L55-L58 HydrophobicContact CD2-CG 4.27Å; L58-L60 HydrophobicContact CD1-CD1 4.29Å; L58-L60 HydrophobicContact CD1-CD2 4.49Å; L58-L60 HydrophobicContact CD1-CG 4.01Å; L58-L60 HydrophobicContact CD2-CD1 3.67Å; L58-L60 HydrophobicContact CD2-CG 4.31Å; L58-L60 HydrophobicContact CG-CD1 3.76Å; L58-L60 HydrophobicContact CG-CG 3.89Å; L58-L72 HydrophobicContact CD2-CD2 3.47Å; L58-L72 VanDerWaalsContact CD2-CD2 3.47Å; L58-L74 HydrophobicContact CD2-CD1 4.43Å; L58-L77 HydrophobicContact CB-CD1 3.8Å; L58-H79 PolarHBondContact N-O 3.15Å; L58-L80 HydrophobicContact CB-CD1 4.1Å; L58-L80 HydrophobicContact CD2-CD1 4.04Å; L58-L80 HydrophobicContact CG-CD1 4.09Å; L58-Y81 PolarHBondContact O-N 2.72Å
59	Y	98.4	Very high	96.5	Very high	47 Å²	47	40 Å²	40	18%	0.184	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	112.7	175.5	-56.3	-86.7	0	0	0	110.8	L35 Y36 L37 N38 V57 Y61 Y81	L35-Y59 PolarHBondContact O-N 3.32Å; Y36-Y59 AromaticContact CD1-CD2 3.44Å; Y36-Y59 HydrophobicContact CD1-CD2 3.44Å; Y36-Y59 VanDerWaalsContact CD1-CD2 3.44Å; Y36-Y59 AromaticContact CD1-CE2 3.73Å; Y36-Y59 HydrophobicContact CD1-CE2 3.73Å; Y36-Y59 HydrophobicContact CD1-CG 4.12Å; Y36-Y59 AromaticContact CE1-CD2 3.58Å; Y36-Y59 HydrophobicContact CE1-CD2 3.58Å; Y36-Y59 AromaticContact CE1-CE2 3.31Å; Y36-Y59 HydrophobicContact CE1-CE2 3.31Å; Y36-Y59 HydrophobicContact CE1-CG 4.47Å; Y36-Y59 HydrophobicContact CG-CD2 4.13Å; Y36-Y59 AromaticContact CZ-CE2 3.91Å; L37-Y59 CarbonylContact C-O 3.19Å; L37-Y59 VanDerWaalsContact CA-O 3.25Å; L37-Y59 WeakPolarHBondContact CA-O 3.45Å; L37-Y59 WeakPolarHBondContact CB-O 3.36Å; L37-Y59 PolarHBondContact N-O 2.83Å; N38-Y59 PolarHBondContact N-O 3.49Å; N38-Y59 VanDerWaalsContact N-O 3.15Å; V57-Y59 HydrophobicContact CB-CE2 4.41Å; V57-Y59 HydrophobicContact CG1-CD2 4.1Å; V57-Y59 HydrophobicContact CG1-CE1 4.2Å; V57-Y59 HydrophobicContact CG1-CE2 3.41Å; V57-Y59 VanDerWaalsContact CG1-CE2 3.41Å; V57-Y59 VanDerWaalsContact CG1-CZ 3.47Å; Y59-Y61 HydrophobicContact CD1-CD1 4.25Å; Y59-Y61 AromaticContact CD1-CE1 3.8Å; Y59-Y61 HydrophobicContact CD1-CE1 3.8Å; Y59-Y61 HydrophobicContact CG-CE1 4.28Å; Y59-Y81 AromaticContact CD1-CD2 3.46Å; Y59-Y81 HydrophobicContact CD1-CD2 3.46Å; Y59-Y81 VanDerWaalsContact CD1-CD2 3.46Å; Y59-Y81 AromaticContact CD1-CE2 3.89Å; Y59-Y81 HydrophobicContact CD1-CE2 3.89Å; Y59-Y81 AromaticContact CD1-CG 3.87Å; Y59-Y81 HydrophobicContact CD1-CG 3.87Å; Y59-Y81 AromaticContact CE1-CD2 3.58Å; Y59-Y81 HydrophobicContact CE1-CD2 3.58Å; Y59-Y81 AromaticContact CE1-CE2 3.47Å; Y59-Y81 HydrophobicContact CE1-CE2 3.47Å; Y59-Y81 VanDerWaalsContact CE1-CE2 3.47Å; Y59-Y81 HydrophobicContact CE1-CG 4.22Å; Y59-Y81 HydrophobicContact CG-CD2 4.24Å
60	L	98.4	Very high	96.4	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	24%	0.236	C	C	.	.			trans	-127	10	178.8	-73.3	165.2	0	0	0	113	L37 L42 L45 L58 N63 L65 P69 L80 Y81 L82 N85	L37-L60 HydrophobicContact CB-CD2 3.65Å; L37-L60 HydrophobicContact CD1-CD2 3.96Å; L37-L60 HydrophobicContact CG-CD2 4.48Å; L42-L60 HydrophobicContact CD1-CD2 4.33Å; L45-L60 HydrophobicContact CD1-CD1 3.83Å; L45-L60 HydrophobicContact CD1-CD2 3.84Å; L45-L60 HydrophobicContact CD1-CG 4.45Å; L45-L60 HydrophobicContact CD2-CD2 3.92Å; L45-L60 HydrophobicContact CG-CD2 4.24Å; L58-L60 HydrophobicContact CD1-CD1 4.29Å; L58-L60 HydrophobicContact CD1-CD2 4.49Å; L58-L60 HydrophobicContact CD1-CG 4.01Å; L58-L60 HydrophobicContact CD2-CD1 3.67Å; L58-L60 HydrophobicContact CD2-CG 4.31Å; L58-L60 HydrophobicContact CG-CD1 3.76Å; L58-L60 HydrophobicContact CG-CG 3.89Å; L60-N63 PolarHBondContact O-ND2 2.93Å; L60-L65 HydrophobicContact CB-CD1 4.13Å; L60-L65 HydrophobicContact CD1-CD1 4.31Å; L60-L65 HydrophobicContact CD2-CD1 4.33Å; L60-P69 HydrophobicContact CD1-CG 4.31Å; L60-L80 HydrophobicContact CD1-CD1 4.2Å; L60-Y81 CarbonylContact C-O 3.52Å; L60-Y81 VanDerWaalsContact CA-O 3.27Å; L60-Y81 WeakPolarHBondContact CA-O 3.28Å; L60-Y81 WeakPolarHBondContact CB-O 3.22Å; L60-Y81 PolarHBondContact N-O 3.26Å; L60-L82 HydrophobicContact CB-CD2 3.66Å; L60-L82 HydrophobicContact CB-CG 4.48Å; L60-L82 HydrophobicContact CD1-CD2 3.74Å; L60-L82 HydrophobicContact CG-CD2 4.38Å; L60-N85 PolarHBondContact O-ND2 3.02Å
61	Y	98.5	Very high	96.2	Very high	73 Å²	73	47.3 Å²	47.3	29%	0.286	23%	0.228	S	C	.	.			trans	-65.3	157	178.4	67.9	-91.8	0	0	0	112.3	N38 G39 Y59 N63 Y81 Q83	N38-Y61 WeakPolarHBondContact CA-O 3.31Å; N38-Y61 HydrophobicContact CB-CD1 3.69Å; N38-Y61 HydrophobicContact CB-CD2 3.91Å; N38-Y61 HydrophobicContact CB-CE1 3.45Å; N38-Y61 VanDerWaalsContact CB-CE1 3.45Å; N38-Y61 HydrophobicContact CB-CE2 3.69Å; N38-Y61 HydrophobicContact CB-CG 3.9Å; N38-Y61 VanDerWaalsContact CB-CZ 3.46Å; N38-Y61 VanDerWaalsContact CB-O 3.28Å; N38-Y61 WeakPolarHBondContact CB-O 3.44Å; N38-Y61 PolarHBondContact ND2-OH 3.17Å; N38-Y61 VanDerWaalsContact ND2-OH 3.12Å; G39-Y61 PolarHBondContact N-O 3.24Å; G39-Y61 VanDerWaalsContact N-O 3.13Å; Y59-Y61 HydrophobicContact CD1-CD1 4.25Å; Y59-Y61 AromaticContact CD1-CE1 3.8Å; Y59-Y61 HydrophobicContact CD1-CE1 3.8Å; Y59-Y61 HydrophobicContact CG-CE1 4.28Å; Y61-N63 PolarHBondContact O-ND2 3.22Å; Y61-Y81 PolarHBondContact N-O 2.9Å; Y61-Q83 CarbonylContact C-O 3.22Å; Y61-Q83 WeakPolarHBondContact CA-O 3.46Å; Y61-Q83 VanDerWaalsContact CB-O 3.3Å; Y61-Q83 WeakPolarHBondContact CB-O 3.46Å
62	D	98.6	Very high	95.9	Very high	74 Å²	74	45.7 Å²	45.7	40%	0.396	22%	0.22	S	C	.	.	S	Bend	trans	57.4	49.1	-177.1	-55.1	-30.2	0	0	0	113.2	G39 Q83 N84	G39-D62 WeakPolarHBondContact CA-O 3.22Å; G39-D62 PolarHBondContact N-O 3.27Å; D62-Q83 PolarHBondContact N-O 3.43Å; D62-N84 WeakPolarHBondContact CA-O 3.31Å; D62-N84 PolarHBondContact N-O 2.9Å; D62-N84 WeakPolarHBondContact OD1-CB 3.29Å; D62-N84 PolarHBondContact OD1-ND2 3.34Å
63	N	98.5	Very high	95.7	Very high	9 Å²	9	51.4 Å²	51.4	5%	0.048	25%	0.25	C	S	.	.	S	Bend	trans	-121.8	-163.3	173.1	-78.3	-63.8	0	0	0	110.3	L37 K40 N41 L42 L60 Y61 L65 N84 N85	L37-N63 PolarHBondContact O-ND2 3.02Å; K40-N63 WeakPolarHBondContact CA-OD1 3.34Å; K40-N63 PolarHBondContact N-OD1 3.31Å; N41-N63 PolarHBondContact N-OD1 2.98Å; N41-N63 VanDerWaalsContact N-OD1 3.09Å; L42-N63 HydrophobicContact CB-CB 4.23Å; L42-N63 PolarHBondContact N-OD1 3.31Å; L60-N63 PolarHBondContact O-ND2 2.93Å; Y61-N63 PolarHBondContact O-ND2 3.22Å; N63-L65 HydrophobicContact CB-CG 4.22Å; N63-N84 PolarHBondContact N-O 3.18Å; N63-N85 VanDerWaalsContact CA-OD1 3.31Å; N63-N85 WeakPolarHBondContact CA-OD1 3.43Å; N63-N85 WeakPolarHBondContact CB-OD1 3.43Å; N63-N85 PolarHBondContact N-OD1 2.91Å; N63-N85 PolarHBondContact O-OD1 2.92Å
64	K	98	Very high	95.7	Very high	91 Å²	91	45.2 Å²	45.2	40%	0.396	22%	0.221	S	C	.	.			trans	-121.9	25.1	-179.4	-62.4	179.2	-178.6	-179.6	0	111.2	L42 K66 N85	L42-K64 CarbonylContact O-C 3.56Å; L42-K64 VanDerWaalsContact O-C 3.3Å; L42-K64 WeakPolarHBondContact O-CA 3.22Å; L42-K64 PolarHBondContact O-N 3.08Å; K64-K66 PolarHBondContact O-N 2.97Å; K64-N85 PolarHBondContact N-OD1 3.44Å
65	L	98.2	Very high	95.6	Very high	1 Å²	1	45.2 Å²	45.2	1%	0.005	22%	0.222	C	C	.	.			trans	-62.9	126.8	-177.5	-60.9	174.7	0	0	0	109.3	L42 L60 N63 P69 L82 N85 H86 I87	L42-L65 HydrophobicContact CB-CD2 4.33Å; L42-L65 PolarHBondContact O-N 3.42Å; L60-L65 HydrophobicContact CB-CD1 4.13Å; L60-L65 HydrophobicContact CD1-CD1 4.31Å; L60-L65 HydrophobicContact CD2-CD1 4.33Å; N63-L65 HydrophobicContact CB-CG 4.22Å; L65-P69 HydrophobicContact CD1-CG 4.23Å; L65-L82 HydrophobicContact CD1-CD2 3.74Å; L65-N85 HydrophobicContact CB-CB 4.23Å; L65-N85 VanDerWaalsContact CB-OD1 3.31Å; L65-N85 WeakPolarHBondContact CB-OD1 3.48Å; L65-N85 WeakPolarHBondContact CG-OD1 3.33Å; L65-N85 PolarHBondContact N-OD1 3.31Å; L65-H86 CarbonylContact O-C 3.47Å; L65-H86 VanDerWaalsContact O-CA 3.31Å; L65-H86 WeakPolarHBondContact O-CA 3.23Å; L65-H86 PolarHBondContact O-N 2.83Å; L65-I87 HydrophobicContact CB-CG1 4.36Å; L65-I87 PolarHBondContact O-N 3.27Å
66	K	97.3	Very high	95.7	Very high	150 Å²	150	48.6 Å²	48.6	65%	0.652	24%	0.238	S	C	*	.	S	Bend	trans	-90.4	-16.4	176	-64.7	-175.2	179.9	-177	0	113.3	K64 H86 I87	K64-K66 PolarHBondContact O-N 2.97Å; K66-H86 WeakPolarHBondContact CA-O 3.27Å; K66-H86 HydrophobicContact CG-CB 4.45Å; K66-I87 WeakPolarHBondContact O-CA 3.39Å
67	S	97.4	Very high	95.7	Very high	55 Å²	55	46.8 Å²	46.8	39%	0.385	23%	0.227	S	C	.	.	S	Bend	trans	-147.4	160.3	176.1	60.1	0	0	0	0	110.3	E91	S67-E91 WeakPolarHBondContact CB-OE1 3.4Å
68	I	97.1	Very high	95.7	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	23%	0.232	C	C	.	.			trans	-64.3	128.3	170.8	-60.1	-172.9	0	0	0	108.2	K70 L72 L82 I87 I90 E91 N92 L93 L104	I68-K70 PolarHBondContact O-N 3.3Å; I68-L72 HydrophobicContact CG2-CD1 3.9Å; I68-L82 HydrophobicContact CD1-CD1 4.31Å; I68-L82 HydrophobicContact CG1-CD1 4.13Å; I68-L82 HydrophobicContact CG2-CD1 4.35Å; I68-I87 HydrophobicContact CG1-CD1 4.17Å; I68-I87 HydrophobicContact CG1-CG2 3.9Å; I68-I90 HydrophobicContact CD1-CB 4.49Å; I68-I90 HydrophobicContact CD1-CG2 4.19Å; I68-E91 VanDerWaalsContact CB-O 3.29Å; I68-E91 WeakPolarHBondContact CB-O 3.2Å; I68-E91 VanDerWaalsContact CG2-O 3.3Å; I68-E91 WeakPolarHBondContact CG2-O 3.46Å; I68-N92 HydrophobicContact CG2-CB 4.45Å; I68-N92 PolarHBondContact O-ND2 2.86Å; I68-L93 HydrophobicContact CD1-CD1 3.92Å; I68-L93 HydrophobicContact CD1-CD2 4.09Å; I68-L93 HydrophobicContact CD1-CG 4.02Å; I68-L93 HydrophobicContact CG2-CD2 3.69Å; I68-L93 HydrophobicContact CG2-CG 4.38Å; I68-L104 HydrophobicContact CD1-CD2 4.21Å
69	P	94.7	Very high	95.7	Very high	9 Å²	9	49.3 Å²	49.3	6%	0.058	24%	0.24	C	C	.	.			trans	-60.4	129.3	-172.7	-22.6	30.5	0	0	0	113.7	L45 L60 L65 Y71 L72	L45-P69 HydrophobicContact CB-CB 3.88Å; L45-P69 HydrophobicContact CB-CG 4.21Å; L45-P69 HydrophobicContact CD1-CB 3.89Å; L45-P69 HydrophobicContact CD1-CG 3.64Å; L45-P69 HydrophobicContact CG-CB 3.99Å; L45-P69 HydrophobicContact CG-CG 3.75Å; L60-P69 HydrophobicContact CD1-CG 4.31Å; L65-P69 HydrophobicContact CD1-CG 4.23Å; P69-Y71 PolarHBondContact O-N 2.85Å; P69-L72 HydrophobicContact CB-CD1 4.37Å; P69-L72 HydrophobicContact CB-CG 4.12Å; P69-L72 HydrophobicContact CG-CD1 4.38Å; P69-L72 VanDerWaalsContact O-CG 3.29Å; P69-L72 WeakPolarHBondContact O-CG 3.46Å; P69-L72 PolarHBondContact O-N 2.94Å
70	K	91.7	Very high	95.7	Very high	137 Å²	137	47 Å²	47	60%	0.596	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.6	-21.1	-177.4	70.1	-173.1	-174.3	-178.2	0	115.5	I68 L72	I68-K70 PolarHBondContact O-N 3.3Å; K70-L72 VanDerWaalsContact C-N 3.27Å; K70-L72 PolarHBondContact O-N 3.09Å
71	Y	88.3	Confident	95.8	Very high	73 Å²	73	49 Å²	49	29%	0.286	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90	14.4	-177.6	-59.1	-70.7	0	0	0	113.1	L45 G46 D47 P69 N73	L45-Y71 WeakPolarHBondContact O-CD2 3.34Å; G46-Y71 VanDerWaalsContact O-CD2 3.31Å; G46-Y71 WeakPolarHBondContact O-CD2 3.43Å; D47-Y71 HydrophobicContact CB-CD1 4.01Å; D47-Y71 HydrophobicContact CB-CE1 3.66Å; D47-Y71 HydrophobicContact CB-CE2 4.24Å; D47-Y71 HydrophobicContact CB-CG 4.43Å; P69-Y71 PolarHBondContact O-N 2.85Å; Y71-N73 PolarHBondContact O-N 3.32Å
72	L	86.6	Confident	95.8	Very high	1 Å²	1	45.6 Å²	45.6	1%	0.005	23%	0.225	C	C	.	.			trans	-78.2	45.2	174.6	-65.1	-178.9	0	0	0	112.8	M49 L58 I68 P69 K70 L74 L80 S95 L96	M49-L72 HydrophobicContact CE-CD2 4.38Å; L58-L72 HydrophobicContact CD2-CD2 3.47Å; L58-L72 VanDerWaalsContact CD2-CD2 3.47Å; I68-L72 HydrophobicContact CG2-CD1 3.9Å; P69-L72 HydrophobicContact CB-CD1 4.37Å; P69-L72 HydrophobicContact CB-CG 4.12Å; P69-L72 HydrophobicContact CG-CD1 4.38Å; P69-L72 VanDerWaalsContact O-CG 3.29Å; P69-L72 WeakPolarHBondContact O-CG 3.46Å; P69-L72 PolarHBondContact O-N 2.94Å; K70-L72 VanDerWaalsContact C-N 3.27Å; K70-L72 PolarHBondContact O-N 3.09Å; L72-L74 HydrophobicContact CD2-CD1 3.81Å; L72-L74 PolarHBondContact O-N 3Å; L72-L80 HydrophobicContact CD1-CD1 4.41Å; L72-L80 HydrophobicContact CD1-CD2 3.99Å; L72-S95 PolarHBondContact O-OG 3.45Å; L72-L96 WeakPolarHBondContact O-CD2 3.45Å
73	N	88	Confident	95.8	Very high	120 Å²	120	43.7 Å²	43.7	64%	0.642	21%	0.214	S	C	*	.			trans	-80.1	55.9	168.3	-166.3	15	0	0	0	110.6	Y71 S95	Y71-N73 PolarHBondContact O-N 3.32Å; N73-S95 WeakPolarHBondContact OD1-CB 3.42Å; N73-S95 PolarHBondContact OD1-OG 3.13Å
74	L	94.1	Very high	95.8	Very high	1 Å²	1	45.9 Å²	45.9	1%	0.005	23%	0.225	C	C	.	.			trans	-106.2	80.8	-171.5	-59.6	-179.4	0	0	0	109.4	M49 C52 L55 L58 L72 Q76 L77 L96	M49-L74 HydrophobicContact CE-CD1 4.02Å; C52-L74 WeakPolarHBondContact O-CD2 3.31Å; L55-L74 HydrophobicContact CB-CD1 4.39Å; L55-L74 HydrophobicContact CD2-CD1 3.76Å; L58-L74 HydrophobicContact CD2-CD1 4.43Å; L72-L74 HydrophobicContact CD2-CD1 3.81Å; L72-L74 PolarHBondContact O-N 3Å; L74-Q76 PolarHBondContact O-N 3.29Å; L74-L77 HydrophobicContact CB-CB 4.05Å; L74-L77 VanDerWaalsContact O-CB 3.23Å; L74-L77 WeakPolarHBondContact O-CB 3.3Å; L74-L77 PolarHBondContact O-N 2.95Å; L74-L96 HydrophobicContact CB-CD2 4.23Å; L74-L96 VanDerWaalsContact O-CD2 3.31Å; L74-L96 WeakPolarHBondContact O-CD2 3.44Å
75	S	93.2	Very high	95.8	Very high	60 Å²	60	41.7 Å²	41.7	42%	0.42	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.1	-9.9	-171.9	72.7	0	0	0	0	115.2	K98	S75-K98 WeakPolarHBondContact O-CD 3.11Å; S75-K98 WeakPolarHBondContact O-CG 3.35Å
76	Q	97.3	Very high	95.8	Very high	71 Å²	71	46.5 Å²	46.5	33%	0.332	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96	-5	174.7	-55.7	-53.6	-39	0	0	113.4	Q53 L55 T56 L74 T78	Q53-Q76 WeakPolarHBondContact O-CG 3.23Å; L55-Q76 CarbonylContact O-C 3.56Å; L55-Q76 VanDerWaalsContact O-C 3.27Å; T56-Q76 HydrophobicContact CG2-CB 4.49Å; L74-Q76 PolarHBondContact O-N 3.29Å; Q76-T78 PolarHBondContact O-N 3.42Å
77	L	98.4	Very high	95.9	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	20%	0.199	C	C	.	.			trans	-68.8	123.5	-174.5	-160.5	74.5	0	0	0	110.5	L55 L58 L74 L80 L96 K98 L99	L55-L77 HydrophobicContact CD2-CD1 4.07Å; L55-L77 HydrophobicContact CG-CD1 4.11Å; L55-L77 WeakPolarHBondContact O-CA 3.48Å; L55-L77 PolarHBondContact O-N 2.82Å; L58-L77 HydrophobicContact CB-CD1 3.8Å; L74-L77 HydrophobicContact CB-CB 4.05Å; L74-L77 VanDerWaalsContact O-CB 3.23Å; L74-L77 WeakPolarHBondContact O-CB 3.3Å; L74-L77 PolarHBondContact O-N 2.95Å; L77-L80 HydrophobicContact CD2-CB 4.05Å; L77-L80 HydrophobicContact CD2-CD1 4.28Å; L77-L80 HydrophobicContact CD2-CD2 4.35Å; L77-L80 HydrophobicContact CD2-CG 4.47Å; L77-L96 HydrophobicContact CB-CD2 4.11Å; L77-L96 HydrophobicContact CD2-CD1 4.14Å; L77-L96 HydrophobicContact CD2-CD2 4.22Å; L77-K98 CarbonylContact O-C 3.33Å; L77-K98 VanDerWaalsContact O-C 3.24Å; L77-L99 HydrophobicContact CD2-CD1 4.19Å; L77-L99 HydrophobicContact CG-CD1 4.24Å; L77-L99 WeakPolarHBondContact O-CA 3.16Å; L77-L99 PolarHBondContact O-N 3.04Å
78	T	98.7	Very high	95.9	Very high	29 Å²	29	40.2 Å²	40.2	18%	0.178	20%	0.204	C	C	.	.			trans	-109.7	-26.2	177.5	58.6	0	0	0	0	111.9	T56 Q76 K98 E100 K101	T56-T78 PolarHBondContact O-N 2.78Å; T56-T78 PolarHBondContact O-OG1 3.49Å; Q76-T78 PolarHBondContact O-N 3.42Å; T78-K98 WeakPolarHBondContact CA-O 3.43Å; T78-K98 HydrophobicContact CG2-CB 4.37Å; T78-E100 PolarHBondContact O-N 2.82Å; T78-K101 PolarHBondContact O-N 3.08Å
79	H	98.8	Very high	95.9	Very high	34 Å²	34	46 Å²	46	16%	0.157	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	124.4	-177.4	-63.4	64.2	0	0	0	111.4	T56 V57 L58 Y81 K101	T56-H79 PolarHBondContact O-N 2.87Å; T56-H79 VanDerWaalsContact O-N 3.08Å; V57-H79 HydrophobicContact CB-CB 4.34Å; V57-H79 HydrophobicContact CG1-CB 3.95Å; V57-H79 HydrophobicContact CG2-CB 4.08Å; L58-H79 PolarHBondContact N-O 3.15Å; H79-Y81 HydrophobicContact CB-CE2 3.86Å; H79-K101 VanDerWaalsContact CD2-CD 3.48Å; H79-K101 WeakPolarHBondContact CD2-CD 3.21Å; H79-K101 WeakPolarHBondContact NE2-CD 3.38Å; H79-K101 VanDerWaalsContact NE2-CE 3.35Å; H79-K101 WeakPolarHBondContact NE2-CE 3.48Å
80	L	98.8	Very high	96.1	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	117.6	178.1	-179.3	55.4	0	0	0	110.9	L58 L60 L72 L77 L82 L93 L96 L99 K101 L102 F103	L58-L80 HydrophobicContact CB-CD1 4.1Å; L58-L80 HydrophobicContact CD2-CD1 4.04Å; L58-L80 HydrophobicContact CG-CD1 4.09Å; L60-L80 HydrophobicContact CD1-CD1 4.2Å; L72-L80 HydrophobicContact CD1-CD1 4.41Å; L72-L80 HydrophobicContact CD1-CD2 3.99Å; L77-L80 HydrophobicContact CD2-CB 4.05Å; L77-L80 HydrophobicContact CD2-CD1 4.28Å; L77-L80 HydrophobicContact CD2-CD2 4.35Å; L77-L80 HydrophobicContact CD2-CG 4.47Å; L80-L82 HydrophobicContact CD1-CD1 4.12Å; L80-L82 HydrophobicContact CD1-CG 4.04Å; L80-L82 HydrophobicContact CD2-CD1 3.73Å; L80-L82 HydrophobicContact CG-CD1 3.73Å; L80-L82 HydrophobicContact CG-CG 4.02Å; L80-L93 HydrophobicContact CD2-CD2 3.83Å; L80-L96 HydrophobicContact CD2-CD1 4.2Å; L80-L99 HydrophobicContact CB-CD1 3.79Å; L80-K101 PolarHBondContact N-O 3.15Å; L80-L102 HydrophobicContact CB-CD1 4.13Å; L80-L102 HydrophobicContact CD2-CD1 3.99Å; L80-L102 HydrophobicContact CG-CD1 4.08Å; L80-F103 PolarHBondContact O-N 2.89Å
81	Y	98.8	Very high	96.3	Very high	42 Å²	42	42.3 Å²	42.3	17%	0.165	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	114	-179.4	-60.9	-91.9	0	0	0	110.2	V57 L58 Y59 L60 Y61 H79 F103	V57-Y81 HydrophobicContact CG1-CD2 4.41Å; V57-Y81 HydrophobicContact CG1-CE2 3.93Å; L58-Y81 PolarHBondContact O-N 2.72Å; Y59-Y81 AromaticContact CD1-CD2 3.46Å; Y59-Y81 HydrophobicContact CD1-CD2 3.46Å; Y59-Y81 VanDerWaalsContact CD1-CD2 3.46Å; Y59-Y81 AromaticContact CD1-CE2 3.89Å; Y59-Y81 HydrophobicContact CD1-CE2 3.89Å; Y59-Y81 AromaticContact CD1-CG 3.87Å; Y59-Y81 HydrophobicContact CD1-CG 3.87Å; Y59-Y81 AromaticContact CE1-CD2 3.58Å; Y59-Y81 HydrophobicContact CE1-CD2 3.58Å; Y59-Y81 AromaticContact CE1-CE2 3.47Å; Y59-Y81 HydrophobicContact CE1-CE2 3.47Å; Y59-Y81 VanDerWaalsContact CE1-CE2 3.47Å; Y59-Y81 HydrophobicContact CE1-CG 4.22Å; Y59-Y81 HydrophobicContact CG-CD2 4.24Å; L60-Y81 CarbonylContact C-O 3.52Å; L60-Y81 VanDerWaalsContact CA-O 3.27Å; L60-Y81 WeakPolarHBondContact CA-O 3.28Å; L60-Y81 WeakPolarHBondContact CB-O 3.22Å; L60-Y81 PolarHBondContact N-O 3.26Å; Y61-Y81 PolarHBondContact N-O 2.9Å; H79-Y81 HydrophobicContact CB-CE2 3.86Å; Y81-F103 HydrophobicContact CD1-CB 4.27Å; Y81-F103 AromaticContact CD1-CD2 3.45Å; Y81-F103 HydrophobicContact CD1-CD2 3.45Å; Y81-F103 VanDerWaalsContact CD1-CD2 3.45Å; Y81-F103 AromaticContact CD1-CE2 3.85Å; Y81-F103 HydrophobicContact CD1-CE2 3.85Å; Y81-F103 AromaticContact CD1-CG 3.88Å; Y81-F103 HydrophobicContact CD1-CG 3.88Å; Y81-F103 AromaticContact CE1-CD2 3.45Å; Y81-F103 HydrophobicContact CE1-CD2 3.45Å; Y81-F103 VanDerWaalsContact CE1-CD2 3.45Å; Y81-F103 HydrophobicContact CE1-CE1 4.44Å; Y81-F103 AromaticContact CE1-CE2 3.3Å; Y81-F103 HydrophobicContact CE1-CE2 3.3Å; Y81-F103 HydrophobicContact CE1-CG 4.12Å; Y81-F103 AromaticContact CE1-CZ 3.87Å; Y81-F103 HydrophobicContact CE1-CZ 3.87Å; Y81-F103 HydrophobicContact CG-CD2 4.21Å; Y81-F103 AromaticContact CZ-CE2 3.83Å
82	L	98.8	Very high	96.7	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	21%	0.213	C	C	.	.			trans	-129.3	15.6	-175.3	-75.5	164.5	0	0	0	112.6	L60 L65 I68 L80 N85 I87 L102 F103 L104 N107	L60-L82 HydrophobicContact CB-CD2 3.66Å; L60-L82 HydrophobicContact CB-CG 4.48Å; L60-L82 HydrophobicContact CD1-CD2 3.74Å; L60-L82 HydrophobicContact CG-CD2 4.38Å; L65-L82 HydrophobicContact CD1-CD2 3.74Å; I68-L82 HydrophobicContact CD1-CD1 4.31Å; I68-L82 HydrophobicContact CG1-CD1 4.13Å; I68-L82 HydrophobicContact CG2-CD1 4.35Å; L80-L82 HydrophobicContact CD1-CD1 4.12Å; L80-L82 HydrophobicContact CD1-CG 4.04Å; L80-L82 HydrophobicContact CD2-CD1 3.73Å; L80-L82 HydrophobicContact CG-CD1 3.73Å; L80-L82 HydrophobicContact CG-CG 4.02Å; L82-N85 PolarHBondContact O-ND2 2.86Å; L82-I87 HydrophobicContact CB-CD1 3.97Å; L82-I87 HydrophobicContact CD1-CD1 4.21Å; L82-I87 HydrophobicContact CD2-CD1 3.94Å; L82-I87 HydrophobicContact CG-CD1 4.28Å; L82-L102 HydrophobicContact CD1-CD1 4.48Å; L82-F103 CarbonylContact C-O 3.22Å; L82-F103 WeakPolarHBondContact CA-O 3.3Å; L82-F103 WeakPolarHBondContact CB-O 3.09Å; L82-F103 PolarHBondContact N-O 3Å; L82-L104 HydrophobicContact CB-CD2 3.81Å; L82-L104 HydrophobicContact CD1-CD2 3.84Å; L82-L104 HydrophobicContact CG-CD2 4.5Å; L82-N107 PolarHBondContact O-ND2 3.48Å
83	Q	98.7	Very high	97.2	Very high	34 Å²	34	41.7 Å²	41.7	16%	0.159	21%	0.212	C	C	.	.			trans	-62.3	154.1	-177.9	-51.4	96.6	-48.1	0	0	112.4	Y61 D62 N85 F103 S105	Y61-Q83 CarbonylContact C-O 3.22Å; Y61-Q83 WeakPolarHBondContact CA-O 3.46Å; Y61-Q83 VanDerWaalsContact CB-O 3.3Å; Y61-Q83 WeakPolarHBondContact CB-O 3.46Å; D62-Q83 PolarHBondContact N-O 3.43Å; Q83-N85 PolarHBondContact O-ND2 3.11Å; Q83-F103 HydrophobicContact CG-CB 3.72Å; Q83-F103 PolarHBondContact N-O 3.41Å; Q83-S105 CarbonylContact C-O 3.08Å; Q83-S105 WeakPolarHBondContact CA-O 3.4Å; Q83-S105 WeakPolarHBondContact CB-O 3.11Å
84	N	98.7	Very high	97.4	Very high	55 Å²	55	41 Å²	41	29%	0.294	21%	0.208	S	C	.	.	S	Bend	trans	54.9	56.4	179.3	-53.8	-54.4	0	0	0	112.3	D62 N63 S105 R106	D62-N84 WeakPolarHBondContact CA-O 3.31Å; D62-N84 PolarHBondContact N-O 2.9Å; D62-N84 WeakPolarHBondContact OD1-CB 3.29Å; D62-N84 PolarHBondContact OD1-ND2 3.34Å; N63-N84 PolarHBondContact N-O 3.18Å; N84-S105 PolarHBondContact N-O 2.95Å; N84-R106 WeakPolarHBondContact CA-O 3.38Å; N84-R106 PolarHBondContact N-O 3.37Å; N84-R106 WeakPolarHBondContact OD1-CB 3.25Å; N84-R106 WeakPolarHBondContact OD1-CD 3.4Å
85	N	98.7	Very high	97.4	Very high	4 Å²	4	42.7 Å²	42.7	2%	0.021	22%	0.221	C	C	.	.	S	Bend	trans	-125	-163.5	170.2	-83.5	-80.2	0	0	0	108.7	L60 N63 K64 L65 L82 Q83 I87 R106 N107	L60-N85 PolarHBondContact O-ND2 3.02Å; N63-N85 VanDerWaalsContact CA-OD1 3.31Å; N63-N85 WeakPolarHBondContact CA-OD1 3.43Å; N63-N85 WeakPolarHBondContact CB-OD1 3.43Å; N63-N85 PolarHBondContact N-OD1 2.91Å; N63-N85 PolarHBondContact O-OD1 2.92Å; K64-N85 PolarHBondContact N-OD1 3.44Å; L65-N85 HydrophobicContact CB-CB 4.23Å; L65-N85 VanDerWaalsContact CB-OD1 3.31Å; L65-N85 WeakPolarHBondContact CB-OD1 3.48Å; L65-N85 WeakPolarHBondContact CG-OD1 3.33Å; L65-N85 PolarHBondContact N-OD1 3.31Å; L82-N85 PolarHBondContact O-ND2 2.86Å; Q83-N85 PolarHBondContact O-ND2 3.11Å; N85-I87 HydrophobicContact CB-CD1 4.09Å; N85-I87 HydrophobicContact CB-CG1 4.07Å; N85-R106 PolarHBondContact N-O 2.8Å; N85-N107 VanDerWaalsContact CA-OD1 3.31Å; N85-N107 WeakPolarHBondContact CA-OD1 3.47Å; N85-N107 WeakPolarHBondContact CB-OD1 3.41Å; N85-N107 PolarHBondContact N-OD1 3.2Å; N85-N107 PolarHBondContact O-OD1 3Å
86	H	98.1	Very high	97.5	Very high	102 Å²	102	39.9 Å²	39.9	47%	0.472	20%	0.201	S	C	.	.			trans	-120.4	31.1	177.5	-56.8	-47.5	0	0	0	111.3	L65 K66 S88 N107	L65-H86 CarbonylContact O-C 3.47Å; L65-H86 VanDerWaalsContact O-CA 3.31Å; L65-H86 WeakPolarHBondContact O-CA 3.23Å; L65-H86 PolarHBondContact O-N 2.83Å; K66-H86 WeakPolarHBondContact CA-O 3.27Å; K66-H86 HydrophobicContact CG-CB 4.45Å; H86-S88 PolarHBondContact O-N 2.92Å; H86-N107 PolarHBondContact N-OD1 2.94Å
87	I	98.6	Very high	97.5	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	21%	0.214	C	C	.	.			trans	-70.7	126.1	-176.2	-61.7	164.8	0	0	0	108.7	L65 K66 I68 L82 N85 R89 L104 N107 C108 I109	L65-I87 HydrophobicContact CB-CG1 4.36Å; L65-I87 PolarHBondContact O-N 3.27Å; K66-I87 WeakPolarHBondContact O-CA 3.39Å; I68-I87 HydrophobicContact CG1-CD1 4.17Å; I68-I87 HydrophobicContact CG1-CG2 3.9Å; L82-I87 HydrophobicContact CB-CD1 3.97Å; L82-I87 HydrophobicContact CD1-CD1 4.21Å; L82-I87 HydrophobicContact CD2-CD1 3.94Å; L82-I87 HydrophobicContact CG-CD1 4.28Å; N85-I87 HydrophobicContact CB-CD1 4.09Å; N85-I87 HydrophobicContact CB-CG1 4.07Å; I87-R89 WeakPolarHBondContact CG2-O 3.44Å; I87-L104 HydrophobicContact CD1-CD2 4.26Å; I87-N107 HydrophobicContact CB-CB 4.22Å; I87-N107 VanDerWaalsContact CB-OD1 3.29Å; I87-N107 WeakPolarHBondContact CB-OD1 3.25Å; I87-N107 WeakPolarHBondContact CG1-OD1 3.32Å; I87-N107 PolarHBondContact N-OD1 3.44Å; I87-N107 WeakPolarHBondContact O-CB 3.31Å; I87-C108 CarbonylContact O-C 3.27Å; I87-C108 WeakPolarHBondContact O-CA 3.45Å; I87-C108 PolarHBondContact O-N 3.01Å; I87-I109 HydrophobicContact CG2-CD1 4.2Å; I87-I109 HydrophobicContact CG2-CG1 4.22Å; I87-I109 WeakPolarHBondContact O-CG1 3.26Å; I87-I109 PolarHBondContact O-N 2.99Å
88	S	97.9	Very high	97.5	Very high	72 Å²	72	46.2 Å²	46.2	50%	0.503	23%	0.229	S	C	.	.			trans	-101.6	-14.5	178.7	62	0	0	0	0	114	H86 C108	H86-S88 PolarHBondContact O-N 2.92Å; S88-C108 WeakPolarHBondContact CA-O 3.19Å
89	R	98.1	Very high	97.5	Very high	122 Å²	122	44.8 Å²	44.8	46%	0.46	22%	0.221	S	C	.	.	S	Bend	trans	-144.8	141.2	-175.2	-165.4	177.8	-169.4	-171.7	1.2	111.8	I87 E113	I87-R89 WeakPolarHBondContact CG2-O 3.44Å; R89-E113 IonicContact CZ-OE1 3.86Å; R89-E113 IonicContact NE-OE1 3.94Å; R89-E113 PolarHBondContact NE-OE1 2.8Å; R89-E113 IonicContact NH2-OE1 3.52Å; R89-E113 PolarHBondContact NH2-OE1 3.44Å; R89-E113 VanDerWaalsContact NH2-OE1 3.15Å; R89-E113 IonicContact NH2-OE2 3.35Å; R89-E113 PolarHBondContact NH2-OE2 3.03Å; R89-E113 VanDerWaalsContact NH2-OE2 3.11Å
90	I	98.3	Very high	97.5	Very high	3 Å²	3	45.9 Å²	45.9	2%	0.015	23%	0.226	C	C	.	.			trans	-84.2	113.3	169.6	-57.2	177.9	0	0	0	108.1	I68 L93 L104 I109 I112 E113 L115 I126	I68-I90 HydrophobicContact CD1-CB 4.49Å; I68-I90 HydrophobicContact CD1-CG2 4.19Å; I90-L93 HydrophobicContact CG2-CD1 3.53Å; I90-L93 HydrophobicContact CG2-CG 4.38Å; I90-L104 HydrophobicContact CD1-CD1 3.82Å; I90-L104 HydrophobicContact CG1-CD1 3.93Å; I90-I109 HydrophobicContact CD1-CD1 4.42Å; I90-I109 HydrophobicContact CD1-CG2 4.27Å; I90-I109 HydrophobicContact CG1-CD1 3.85Å; I90-I109 HydrophobicContact CG1-CG2 4.08Å; I90-I112 HydrophobicContact CD1-CD1 4.23Å; I90-I112 HydrophobicContact CD1-CG2 4.48Å; I90-E113 WeakPolarHBondContact CB-O 3.22Å; I90-E113 WeakPolarHBondContact CG2-O 3.5Å; I90-L115 HydrophobicContact CD1-CD2 4.4Å; I90-L115 HydrophobicContact CG2-CD2 4.06Å; I90-I126 HydrophobicContact CD1-CD1 4.23Å
91	E	96.4	Very high	97.5	Very high	66 Å²	66	48.9 Å²	48.9	31%	0.308	24%	0.239	S	C	.	.			trans	-152	170.5	-178.2	55.8	173.9	-151.2	0	0	110	S67 I68 L93	S67-E91 WeakPolarHBondContact CB-OE1 3.4Å; I68-E91 VanDerWaalsContact CB-O 3.29Å; I68-E91 WeakPolarHBondContact CB-O 3.2Å; I68-E91 VanDerWaalsContact CG2-O 3.3Å; I68-E91 WeakPolarHBondContact CG2-O 3.46Å; E91-L93 PolarHBondContact O-N 2.83Å
92	N	95.7	Very high	97.5	Very high	61 Å²	61	46.9 Å²	46.9	33%	0.326	23%	0.231	S	C	.	.	S	Bend	trans	62	21	176.2	-52.1	-45.9	0	0	0	115	I68	I68-N92 HydrophobicContact CG2-CB 4.45Å; I68-N92 PolarHBondContact O-ND2 2.86Å
93	L	96.9	Very high	97.5	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	23%	0.234	C	C	.	.			trans	-102	-9.9	179.9	-59.8	-175.8	0	0	0	114	I68 L80 I90 E91 S95 L96 L102 L118	I68-L93 HydrophobicContact CD1-CD1 3.92Å; I68-L93 HydrophobicContact CD1-CD2 4.09Å; I68-L93 HydrophobicContact CD1-CG 4.02Å; I68-L93 HydrophobicContact CG2-CD2 3.69Å; I68-L93 HydrophobicContact CG2-CG 4.38Å; L80-L93 HydrophobicContact CD2-CD2 3.83Å; I90-L93 HydrophobicContact CG2-CD1 3.53Å; I90-L93 HydrophobicContact CG2-CG 4.38Å; E91-L93 PolarHBondContact O-N 2.83Å; L93-S95 PolarHBondContact O-N 2.96Å; L93-L96 HydrophobicContact CB-CD1 4.42Å; L93-L96 HydrophobicContact CD2-CD1 3.58Å; L93-L96 WeakPolarHBondContact O-CB 3.36Å; L93-L96 PolarHBondContact O-N 3.31Å; L93-L102 HydrophobicContact CD1-CD2 3.62Å; L93-L118 HydrophobicContact CB-CD1 4.28Å; L93-L118 HydrophobicContact CB-CD2 4.14Å; L93-L118 HydrophobicContact CD1-CD1 3.97Å; L93-L118 WeakPolarHBondContact O-CD2 3.35Å
94	N	93.1	Very high	97.5	Very high	104 Å²	104	46 Å²	46	56%	0.556	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57	-29.3	-170.4	-66.2	-4.3	0	0	0	114.8	L96	N94-L96 VanDerWaalsContact C-N 3.34Å
95	S	93	Very high	97.5	Very high	38 Å²	38	43.9 Å²	43.9	27%	0.266	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.6	-7.7	178.7	50.3	0	0	0	0	114.3	L72 N73 L93 E97	L72-S95 PolarHBondContact O-OG 3.45Å; N73-S95 WeakPolarHBondContact OD1-CB 3.42Å; N73-S95 PolarHBondContact OD1-OG 3.13Å; L93-S95 PolarHBondContact O-N 2.96Å; S95-E97 PolarHBondContact O-N 2.99Å; S95-E97 VanDerWaalsContact O-N 3.09Å
96	L	96.8	Very high	97.5	Very high	0 Å²	0	50.6 Å²	50.6	0%	0	24%	0.241	C	C	.	.			trans	-88.8	53.4	-174.3	-54.8	-179.1	0	0	0	111.3	L72 L74 L77 L80 L93 N94 K98 L99 L118	L72-L96 WeakPolarHBondContact O-CD2 3.45Å; L74-L96 HydrophobicContact CB-CD2 4.23Å; L74-L96 VanDerWaalsContact O-CD2 3.31Å; L74-L96 WeakPolarHBondContact O-CD2 3.44Å; L77-L96 HydrophobicContact CB-CD2 4.11Å; L77-L96 HydrophobicContact CD2-CD1 4.14Å; L77-L96 HydrophobicContact CD2-CD2 4.22Å; L80-L96 HydrophobicContact CD2-CD1 4.2Å; L93-L96 HydrophobicContact CB-CD1 4.42Å; L93-L96 HydrophobicContact CD2-CD1 3.58Å; L93-L96 WeakPolarHBondContact O-CB 3.36Å; L93-L96 PolarHBondContact O-N 3.31Å; N94-L96 VanDerWaalsContact C-N 3.34Å; L96-K98 PolarHBondContact O-N 2.83Å; L96-L99 HydrophobicContact CB-CB 4.03Å; L96-L99 HydrophobicContact CD1-CD2 4.29Å; L96-L99 VanDerWaalsContact O-CB 3.22Å; L96-L99 WeakPolarHBondContact O-CB 3.47Å; L96-L99 PolarHBondContact O-N 3.28Å; L96-L118 HydrophobicContact CB-CD2 4.01Å; L96-L118 WeakPolarHBondContact O-CD2 3.19Å
97	E	95.8	Very high	97.5	Very high	130 Å²	130	45.8 Å²	45.8	61%	0.607	22%	0.219	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.9	-20.1	-175.1	-61.5	176.8	-173.6	0	0	113.9	S95 R120	S95-E97 PolarHBondContact O-N 2.99Å; S95-E97 VanDerWaalsContact O-N 3.09Å; E97-R120 WeakPolarHBondContact O-CG 3.31Å
98	K	98.2	Very high	97.5	Very high	74 Å²	74	47.6 Å²	47.6	32%	0.322	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.9	0.4	177.2	-62.9	-166.2	-171.9	-176.4	0	114.1	S75 L77 T78 L96 E100	S75-K98 WeakPolarHBondContact O-CD 3.11Å; S75-K98 WeakPolarHBondContact O-CG 3.35Å; L77-K98 CarbonylContact O-C 3.33Å; L77-K98 VanDerWaalsContact O-C 3.24Å; T78-K98 WeakPolarHBondContact CA-O 3.43Å; T78-K98 HydrophobicContact CG2-CB 4.37Å; L96-K98 PolarHBondContact O-N 2.83Å; K98-E100 PolarHBondContact O-N 3.25Å
99	L	98.7	Very high	97.5	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	21%	0.207	C	C	.	.			trans	-66.8	122	-176.8	-161.9	72	0	0	0	110.2	L77 L80 L96 L102 L118 R120 L121	L77-L99 HydrophobicContact CD2-CD1 4.19Å; L77-L99 HydrophobicContact CG-CD1 4.24Å; L77-L99 WeakPolarHBondContact O-CA 3.16Å; L77-L99 PolarHBondContact O-N 3.04Å; L80-L99 HydrophobicContact CB-CD1 3.79Å; L96-L99 HydrophobicContact CB-CB 4.03Å; L96-L99 HydrophobicContact CD1-CD2 4.29Å; L96-L99 VanDerWaalsContact O-CB 3.22Å; L96-L99 WeakPolarHBondContact O-CB 3.47Å; L96-L99 PolarHBondContact O-N 3.28Å; L99-L102 HydrophobicContact CD2-CB 4.03Å; L99-L102 HydrophobicContact CD2-CD1 4.31Å; L99-L102 HydrophobicContact CD2-CD2 4.41Å; L99-L102 HydrophobicContact CD2-CG 4.49Å; L99-L118 HydrophobicContact CB-CD2 4.1Å; L99-L118 HydrophobicContact CD2-CD1 4.2Å; L99-L118 HydrophobicContact CD2-CD2 4.07Å; L99-R120 CarbonylContact O-C 3.3Å; L99-L121 HydrophobicContact CD2-CD1 4.49Å; L99-L121 WeakPolarHBondContact O-CA 3.48Å; L99-L121 PolarHBondContact O-N 3.05Å
100	E	98.8	Very high	97.5	Very high	57 Å²	57	40.1 Å²	40.1	27%	0.266	20%	0.198	S	C	.	.			trans	-105.9	-31.9	179.3	-70.3	172.1	179.7	0	0	110.9	T78 K98 Q122 E123	T78-E100 PolarHBondContact O-N 2.82Å; K98-E100 PolarHBondContact O-N 3.25Å; E100-Q122 WeakPolarHBondContact O-CA 3.08Å; E100-Q122 PolarHBondContact O-N 3.17Å; E100-E123 PolarHBondContact O-N 3.22Å
101	K	98.9	Very high	97.5	Very high	62 Å²	62	43.1 Å²	43.1	27%	0.27	21%	0.213	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	125.8	-178.4	-47.3	-163.9	-174.2	-175.8	0	112.4	T78 H79 L80 F103 E123	T78-K101 PolarHBondContact O-N 3.08Å; H79-K101 VanDerWaalsContact CD2-CD 3.48Å; H79-K101 WeakPolarHBondContact CD2-CD 3.21Å; H79-K101 WeakPolarHBondContact NE2-CD 3.38Å; H79-K101 VanDerWaalsContact NE2-CE 3.35Å; H79-K101 WeakPolarHBondContact NE2-CE 3.48Å; L80-K101 PolarHBondContact N-O 3.15Å; K101-F103 HydrophobicContact CB-CD2 4.37Å; K101-F103 HydrophobicContact CB-CE2 3.63Å; K101-F103 HydrophobicContact CB-CZ 4.36Å; K101-F103 HydrophobicContact CD-CE2 4.31Å; K101-F103 HydrophobicContact CD-CZ 4.41Å; K101-E123 WeakPolarHBondContact CA-O 3.49Å; K101-E123 HydrophobicContact CB-CB 4.33Å; K101-E123 HydrophobicContact CD-CB 4.35Å; K101-E123 WeakPolarHBondContact CD-OE2 3.23Å; K101-E123 HydrophobicContact CG-CB 4.1Å; K101-E123 IonicContact NZ-OE2 2.74Å
102	L	98.9	Very high	97.6	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	121.3	178.4	178.6	58.3	0	0	0	110	L80 L82 L93 L99 L104 L115 L118 L121 E123 L124 R125	L80-L102 HydrophobicContact CB-CD1 4.13Å; L80-L102 HydrophobicContact CD2-CD1 3.99Å; L80-L102 HydrophobicContact CG-CD1 4.08Å; L82-L102 HydrophobicContact CD1-CD1 4.48Å; L93-L102 HydrophobicContact CD1-CD2 3.62Å; L99-L102 HydrophobicContact CD2-CB 4.03Å; L99-L102 HydrophobicContact CD2-CD1 4.31Å; L99-L102 HydrophobicContact CD2-CD2 4.41Å; L99-L102 HydrophobicContact CD2-CG 4.49Å; L102-L104 HydrophobicContact CD1-CD1 4.17Å; L102-L104 HydrophobicContact CD1-CD2 4.49Å; L102-L104 HydrophobicContact CD1-CG 4.06Å; L102-L104 HydrophobicContact CD2-CD1 3.8Å; L102-L104 HydrophobicContact CG-CD1 3.84Å; L102-L104 HydrophobicContact CG-CG 4.07Å; L102-L115 HydrophobicContact CD2-CD2 4.38Å; L102-L118 HydrophobicContact CD2-CD1 4.13Å; L102-L121 HydrophobicContact CB-CD1 3.71Å; L102-E123 PolarHBondContact N-O 2.83Å; L102-L124 HydrophobicContact CB-CD1 4Å; L102-L124 HydrophobicContact CD2-CD1 3.92Å; L102-L124 HydrophobicContact CG-CD1 3.99Å; L102-L124 WeakPolarHBondContact O-CA 3.31Å; L102-R125 PolarHBondContact O-N 2.89Å
103	F	98.9	Very high	97.7	Very high	17 Å²	17	39.1 Å²	39.1	8%	0.075	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	116.4	179.6	-57.8	-103.9	0	0	0	110.8	L80 Y81 L82 Q83 K101 E123 R125	L80-F103 PolarHBondContact O-N 2.89Å; Y81-F103 HydrophobicContact CD1-CB 4.27Å; Y81-F103 AromaticContact CD1-CD2 3.45Å; Y81-F103 HydrophobicContact CD1-CD2 3.45Å; Y81-F103 VanDerWaalsContact CD1-CD2 3.45Å; Y81-F103 AromaticContact CD1-CE2 3.85Å; Y81-F103 HydrophobicContact CD1-CE2 3.85Å; Y81-F103 AromaticContact CD1-CG 3.88Å; Y81-F103 HydrophobicContact CD1-CG 3.88Å; Y81-F103 AromaticContact CE1-CD2 3.45Å; Y81-F103 HydrophobicContact CE1-CD2 3.45Å; Y81-F103 VanDerWaalsContact CE1-CD2 3.45Å; Y81-F103 HydrophobicContact CE1-CE1 4.44Å; Y81-F103 AromaticContact CE1-CE2 3.3Å; Y81-F103 HydrophobicContact CE1-CE2 3.3Å; Y81-F103 HydrophobicContact CE1-CG 4.12Å; Y81-F103 AromaticContact CE1-CZ 3.87Å; Y81-F103 HydrophobicContact CE1-CZ 3.87Å; Y81-F103 HydrophobicContact CG-CD2 4.21Å; Y81-F103 AromaticContact CZ-CE2 3.83Å; L82-F103 CarbonylContact C-O 3.22Å; L82-F103 WeakPolarHBondContact CA-O 3.3Å; L82-F103 WeakPolarHBondContact CB-O 3.09Å; L82-F103 PolarHBondContact N-O 3Å; Q83-F103 HydrophobicContact CG-CB 3.72Å; Q83-F103 PolarHBondContact N-O 3.41Å; K101-F103 HydrophobicContact CB-CD2 4.37Å; K101-F103 HydrophobicContact CB-CE2 3.63Å; K101-F103 HydrophobicContact CB-CZ 4.36Å; K101-F103 HydrophobicContact CD-CE2 4.31Å; K101-F103 HydrophobicContact CD-CZ 4.41Å; F103-E123 HydrophobicContact CZ-CG 4.38Å; F103-R125 HydrophobicContact CD1-CB 3.88Å; F103-R125 HydrophobicContact CD1-CG 3.69Å; F103-R125 HydrophobicContact CE1-CG 3.86Å
104	L	98.8	Very high	97.7	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	20%	0.198	C	C	.	.			trans	-126.3	13.1	-176.6	-69.5	162.5	0	0	0	112.1	I68 L82 I87 I90 L102 N107 I109 R125 I126 Q129	I68-L104 HydrophobicContact CD1-CD2 4.21Å; L82-L104 HydrophobicContact CB-CD2 3.81Å; L82-L104 HydrophobicContact CD1-CD2 3.84Å; L82-L104 HydrophobicContact CG-CD2 4.5Å; I87-L104 HydrophobicContact CD1-CD2 4.26Å; I90-L104 HydrophobicContact CD1-CD1 3.82Å; I90-L104 HydrophobicContact CG1-CD1 3.93Å; L102-L104 HydrophobicContact CD1-CD1 4.17Å; L102-L104 HydrophobicContact CD1-CD2 4.49Å; L102-L104 HydrophobicContact CD1-CG 4.06Å; L102-L104 HydrophobicContact CD2-CD1 3.8Å; L102-L104 HydrophobicContact CG-CD1 3.84Å; L102-L104 HydrophobicContact CG-CG 4.07Å; L104-N107 WeakPolarHBondContact O-CB 3.34Å; L104-N107 PolarHBondContact O-ND2 3.39Å; L104-I109 HydrophobicContact CB-CD1 3.95Å; L104-I109 HydrophobicContact CD1-CD1 3.98Å; L104-I109 HydrophobicContact CD2-CD1 4.02Å; L104-I109 HydrophobicContact CG-CD1 4.22Å; L104-R125 CarbonylContact C-O 3.5Å; L104-R125 WeakPolarHBondContact CA-O 3.12Å; L104-R125 PolarHBondContact N-O 3.49Å; L104-I126 HydrophobicContact CB-CG1 4.37Å; L104-I126 HydrophobicContact CB-CG2 4.49Å; L104-Q129 PolarHBondContact O-NE2 3.28Å
105	S	98.8	Very high	98	Very high	10 Å²	10	34.7 Å²	34.7	7%	0.07	17%	0.172	C	C	.	.			trans	-47.9	141.2	177.6	-43.7	0	0	0	0	112.3	Q83 N84 N107 R125 D127	Q83-S105 CarbonylContact C-O 3.08Å; Q83-S105 WeakPolarHBondContact CA-O 3.4Å; Q83-S105 WeakPolarHBondContact CB-O 3.11Å; N84-S105 PolarHBondContact N-O 2.95Å; S105-N107 PolarHBondContact O-ND2 3.49Å; S105-R125 PolarHBondContact N-O 3.45Å; S105-D127 CarbonylContact C-O 3.29Å; S105-D127 VanDerWaalsContact CA-O 3.25Å; S105-D127 WeakPolarHBondContact CA-O 3.34Å; S105-D127 WeakPolarHBondContact CB-OD1 3.28Å; S105-D127 PolarHBondContact OG-OD1 2.98Å
106	R	98.7	Very high	98.2	Very high	145 Å²	145	36.4 Å²	36.4	55%	0.547	18%	0.175	S	C	.	.	S	Bend	trans	57.2	52.7	175.4	-56.2	170.2	178.3	-167.4	2.7	113.2	N84 N85 D127 N128	N84-R106 WeakPolarHBondContact CA-O 3.38Å; N84-R106 PolarHBondContact N-O 3.37Å; N84-R106 WeakPolarHBondContact OD1-CB 3.25Å; N84-R106 WeakPolarHBondContact OD1-CD 3.4Å; N85-R106 PolarHBondContact N-O 2.8Å; R106-D127 PolarHBondContact N-O 3.39Å; R106-N128 VanDerWaalsContact CA-O 3.29Å; R106-N128 WeakPolarHBondContact CA-O 3.43Å; R106-N128 HydrophobicContact CG-CB 3.87Å
107	N	98.8	Very high	98.1	Very high	1 Å²	1	37.2 Å²	37.2	1%	0.005	18%	0.184	C	C	.	.	S	Bend	trans	-115	-154.5	167.8	-85.4	-76.1	0	0	0	109.1	L82 N85 H86 I87 L104 S105 I109 Q129 N130	L82-N107 PolarHBondContact O-ND2 3.48Å; N85-N107 VanDerWaalsContact CA-OD1 3.31Å; N85-N107 WeakPolarHBondContact CA-OD1 3.47Å; N85-N107 WeakPolarHBondContact CB-OD1 3.41Å; N85-N107 PolarHBondContact N-OD1 3.2Å; N85-N107 PolarHBondContact O-OD1 3Å; H86-N107 PolarHBondContact N-OD1 2.94Å; I87-N107 HydrophobicContact CB-CB 4.22Å; I87-N107 VanDerWaalsContact CB-OD1 3.29Å; I87-N107 WeakPolarHBondContact CB-OD1 3.25Å; I87-N107 WeakPolarHBondContact CG1-OD1 3.32Å; I87-N107 PolarHBondContact N-OD1 3.44Å; I87-N107 WeakPolarHBondContact O-CB 3.31Å; L104-N107 WeakPolarHBondContact O-CB 3.34Å; L104-N107 PolarHBondContact O-ND2 3.39Å; S105-N107 PolarHBondContact O-ND2 3.49Å; N107-I109 HydrophobicContact CB-CD1 4.23Å; N107-I109 HydrophobicContact CB-CG1 4.25Å; N107-Q129 VanDerWaalsContact CA-OE1 3.31Å; N107-Q129 PolarHBondContact O-OE1 3.02Å; N107-N130 WeakPolarHBondContact O-CB 3.44Å; N107-N130 PolarHBondContact O-N 3.36Å
108	C	98.3	Very high	98.2	Very high	37 Å²	37	31 Å²	31	25%	0.25	16%	0.155	C	C	.	.			trans	-125.6	31.7	179.3	-56.1	0	0	0	0	110.9	I87 S88	I87-C108 CarbonylContact O-C 3.27Å; I87-C108 WeakPolarHBondContact O-CA 3.45Å; I87-C108 PolarHBondContact O-N 3.01Å; S88-C108 WeakPolarHBondContact CA-O 3.19Å
109	I	98.6	Very high	98	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	17%	0.165	C	C	.	.			trans	-82.4	120.4	-175.1	-60.7	165.2	0	0	0	109.2	I87 I90 L104 N107 I111 I112 Q129 L131 L137	I87-I109 HydrophobicContact CG2-CD1 4.2Å; I87-I109 HydrophobicContact CG2-CG1 4.22Å; I87-I109 WeakPolarHBondContact O-CG1 3.26Å; I87-I109 PolarHBondContact O-N 2.99Å; I90-I109 HydrophobicContact CD1-CD1 4.42Å; I90-I109 HydrophobicContact CD1-CG2 4.27Å; I90-I109 HydrophobicContact CG1-CD1 3.85Å; I90-I109 HydrophobicContact CG1-CG2 4.08Å; L104-I109 HydrophobicContact CB-CD1 3.95Å; L104-I109 HydrophobicContact CD1-CD1 3.98Å; L104-I109 HydrophobicContact CD2-CD1 4.02Å; L104-I109 HydrophobicContact CG-CD1 4.22Å; N107-I109 HydrophobicContact CB-CD1 4.23Å; N107-I109 HydrophobicContact CB-CG1 4.25Å; I109-I111 VanDerWaalsContact CG2-O 3.26Å; I109-I111 WeakPolarHBondContact CG2-O 3.49Å; I109-I112 HydrophobicContact CG2-CD1 4.02Å; I109-Q129 HydrophobicContact CB-CG 4.43Å; I109-Q129 WeakPolarHBondContact O-CB 3.01Å; I109-Q129 WeakPolarHBondContact O-CG 3.35Å; I109-L131 VanDerWaalsContact O-CD2 3.31Å; I109-L131 WeakPolarHBondContact O-CD2 3.29Å; I109-L137 VanDerWaalsContact O-CD1 3.25Å; I109-L137 WeakPolarHBondContact O-CD1 3.39Å
110	S	97.7	Very high	98	Very high	38 Å²	38	38 Å²	38	27%	0.266	19%	0.189	S	C	.	.			trans	-98.6	-21.8	177.2	56.4	0	0	0	0	114.4	I138	S110-I138 PolarHBondContact O-N 3.4Å
111	I	98.2	Very high	98	Very high	66 Å²	66	35.2 Å²	35.2	34%	0.338	18%	0.176	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	128.2	-178.7	-53	175.2	0	0	0	109.5	I109 E113 I138	I109-I111 VanDerWaalsContact CG2-O 3.26Å; I109-I111 WeakPolarHBondContact CG2-O 3.49Å; I111-E113 HydrophobicContact CG2-CB 4.23Å; I111-E113 HydrophobicContact CG2-CG 4.22Å; I111-E113 PolarHBondContact O-N 3.27Å; I111-I138 CarbonylContact C-O 3.24Å; I111-I138 WeakPolarHBondContact CA-O 3.45Å; I111-I138 HydrophobicContact CG1-CB 4.42Å
112	I	98.2	Very high	98	Very high	2 Å²	2	35.9 Å²	35.9	1%	0.01	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	96.3	172	-52.1	-44.8	0	0	0	108.9	I90 I109 L115 I126 L137 I138 F139 D140	I90-I112 HydrophobicContact CD1-CD1 4.23Å; I90-I112 HydrophobicContact CD1-CG2 4.48Å; I109-I112 HydrophobicContact CG2-CD1 4.02Å; I112-L115 HydrophobicContact CG2-CD1 3.68Å; I112-L115 HydrophobicContact CG2-CG 4.49Å; I112-I126 HydrophobicContact CD1-CB 4.44Å; I112-I126 HydrophobicContact CD1-CD1 3.34Å; I112-I126 HydrophobicContact CD1-CG1 4.46Å; I112-I126 HydrophobicContact CD1-CG2 3.83Å; I112-I126 HydrophobicContact CG1-CD1 4.09Å; I112-I126 HydrophobicContact CG2-CD1 4.17Å; I112-L137 HydrophobicContact CD1-CD1 3.67Å; I112-L137 HydrophobicContact CD1-CD2 3.95Å; I112-L137 HydrophobicContact CD1-CG 4.07Å; I112-L137 HydrophobicContact CG1-CD1 4.1Å; I112-L137 HydrophobicContact CG1-CD2 3.89Å; I112-L137 HydrophobicContact CG1-CG 3.98Å; I112-I138 PolarHBondContact N-O 3.49Å; I112-F139 HydrophobicContact CB-CD1 3.69Å; I112-F139 HydrophobicContact CB-CE1 4.25Å; I112-F139 HydrophobicContact CG1-CD1 3.57Å; I112-F139 HydrophobicContact CG1-CE1 3.61Å; I112-F139 HydrophobicContact CG2-CD1 4.25Å; I112-D140 WeakPolarHBondContact O-CB 3.22Å; I112-D140 PolarHBondContact O-N 3.13Å
113	E	97.9	Very high	98	Very high	40 Å²	40	37.1 Å²	37.1	19%	0.187	19%	0.185	C	C	.	.			trans	-135.7	177.2	178.9	59.7	173.4	166.7	0	0	110.5	R89 I90 I111 L115 D140 S143	R89-E113 IonicContact CZ-OE1 3.86Å; R89-E113 IonicContact NE-OE1 3.94Å; R89-E113 PolarHBondContact NE-OE1 2.8Å; R89-E113 IonicContact NH2-OE1 3.52Å; R89-E113 PolarHBondContact NH2-OE1 3.44Å; R89-E113 VanDerWaalsContact NH2-OE1 3.15Å; R89-E113 IonicContact NH2-OE2 3.35Å; R89-E113 PolarHBondContact NH2-OE2 3.03Å; R89-E113 VanDerWaalsContact NH2-OE2 3.11Å; I90-E113 WeakPolarHBondContact CB-O 3.22Å; I90-E113 WeakPolarHBondContact CG2-O 3.5Å; I111-E113 HydrophobicContact CG2-CB 4.23Å; I111-E113 HydrophobicContact CG2-CG 4.22Å; I111-E113 PolarHBondContact O-N 3.27Å; E113-L115 PolarHBondContact O-N 3.45Å; E113-D140 HydrophobicContact CB-CB 4.01Å; E113-S143 VanDerWaalsContact C-OG 3.26Å; E113-S143 VanDerWaalsContact CA-OG 3.32Å; E113-S143 WeakPolarHBondContact CA-OG 3.42Å
114	G	97.5	Very high	98	Very high	12 Å²	12	36.4 Å²	36.4	12%	0.124	18%	0.183	C	C	.	.			trans	72.3	24.1	173.8	0	0	0	0	0	114.9	E116 S143	G114-E116 VanDerWaalsContact C-OE2 3.27Å; G114-E116 WeakPolarHBondContact CA-OE2 3.35Å; G114-S143 PolarHBondContact N-OG 2.94Å
115	L	98.1	Very high	98	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	20%	0.199	C	C	.	.			trans	-99.7	5.1	180	-52.6	-178.6	0	0	0	113.4	I90 L102 I112 E113 G117 L118 L124 S143 S146 V147	I90-L115 HydrophobicContact CD1-CD2 4.4Å; I90-L115 HydrophobicContact CG2-CD2 4.06Å; L102-L115 HydrophobicContact CD2-CD2 4.38Å; I112-L115 HydrophobicContact CG2-CD1 3.68Å; I112-L115 HydrophobicContact CG2-CG 4.49Å; E113-L115 PolarHBondContact O-N 3.45Å; L115-G117 VanDerWaalsContact C-N 3.3Å; L115-G117 PolarHBondContact O-N 2.98Å; L115-L118 HydrophobicContact CB-CD1 4.47Å; L115-L118 HydrophobicContact CD2-CD1 3.73Å; L115-L118 PolarHBondContact O-N 3.49Å; L115-L124 HydrophobicContact CD1-CD2 3.85Å; L115-S143 PolarHBondContact N-OG 2.98Å; L115-S143 VanDerWaalsContact N-OG 3.13Å; L115-S146 PolarHBondContact O-OG 2.89Å; L115-S146 VanDerWaalsContact O-OG 3.04Å; L115-V147 HydrophobicContact CB-CG1 3.99Å
116	E	97	Very high	98	Very high	74 Å²	74	40.4 Å²	40.4	35%	0.346	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.2	-33.6	-170.9	-63.2	80.4	-177.7	0	0	113.3	G114 L118 S143 S146	G114-E116 VanDerWaalsContact C-OE2 3.27Å; G114-E116 WeakPolarHBondContact CA-OE2 3.35Å; E116-L118 VanDerWaalsContact C-N 3.33Å; E116-S143 PolarHBondContact OE1-OG 3.46Å; E116-S146 WeakPolarHBondContact CA-OG 3.38Å
117	G	95.4	Very high	98	Very high	17 Å²	17	34.4 Å²	34.4	18%	0.175	18%	0.175	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.1	-12.2	177.1	0	0	0	0	0	114.4	L115 T119	L115-G117 VanDerWaalsContact C-N 3.3Å; L115-G117 PolarHBondContact O-N 2.98Å; G117-T119 VanDerWaalsContact C-N 3.27Å; G117-T119 PolarHBondContact O-N 3.35Å; G117-T119 VanDerWaalsContact O-N 3.08Å
118	L	97.7	Very high	98	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	19%	0.191	C	C	.	.			trans	-92	49.8	-168.3	-52.6	-175.8	0	0	0	112.4	L93 L96 L99 L102 L115 E116 R120 L121	L93-L118 HydrophobicContact CB-CD1 4.28Å; L93-L118 HydrophobicContact CB-CD2 4.14Å; L93-L118 HydrophobicContact CD1-CD1 3.97Å; L93-L118 WeakPolarHBondContact O-CD2 3.35Å; L96-L118 HydrophobicContact CB-CD2 4.01Å; L96-L118 WeakPolarHBondContact O-CD2 3.19Å; L99-L118 HydrophobicContact CB-CD2 4.1Å; L99-L118 HydrophobicContact CD2-CD1 4.2Å; L99-L118 HydrophobicContact CD2-CD2 4.07Å; L102-L118 HydrophobicContact CD2-CD1 4.13Å; L115-L118 HydrophobicContact CB-CD1 4.47Å; L115-L118 HydrophobicContact CD2-CD1 3.73Å; L115-L118 PolarHBondContact O-N 3.49Å; E116-L118 VanDerWaalsContact C-N 3.33Å; L118-R120 PolarHBondContact O-N 2.98Å; L118-L121 HydrophobicContact CB-CB 3.99Å; L118-L121 HydrophobicContact CB-CD2 4.43Å; L118-L121 HydrophobicContact CD1-CD2 4.22Å; L118-L121 WeakPolarHBondContact O-CB 3.48Å; L118-L121 PolarHBondContact O-N 2.98Å
119	T	94.6	Very high	98	Very high	86 Å²	86	36.1 Å²	36.1	53%	0.528	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.1	-10.8	-173.3	59.4	0	0	0	0	115.1	G117 S150	G117-T119 VanDerWaalsContact C-N 3.27Å; G117-T119 PolarHBondContact O-N 3.35Å; G117-T119 VanDerWaalsContact O-N 3.08Å; T119-S150 WeakPolarHBondContact O-CB 3.18Å
120	R	98.1	Very high	97.9	Very high	133 Å²	133	41.8 Å²	41.8	50%	0.502	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	-107.6	4.2	176	-63	-170.2	-178	-164.6	-2.5	113.7	E97 L99 L118 Q122	E97-R120 WeakPolarHBondContact O-CG 3.31Å; L99-R120 CarbonylContact O-C 3.3Å; L118-R120 PolarHBondContact O-N 2.98Å; R120-Q122 PolarHBondContact O-N 3.21Å
121	L	98.8	Very high	97.9	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	20%	0.202	C	C	.	.			trans	-65.2	118.4	-176.2	-171.5	68.9	0	0	0	110.2	L99 L102 L118 L124 V147 S150 L151	L99-L121 HydrophobicContact CD2-CD1 4.49Å; L99-L121 WeakPolarHBondContact O-CA 3.48Å; L99-L121 PolarHBondContact O-N 3.05Å; L102-L121 HydrophobicContact CB-CD1 3.71Å; L118-L121 HydrophobicContact CB-CB 3.99Å; L118-L121 HydrophobicContact CB-CD2 4.43Å; L118-L121 HydrophobicContact CD1-CD2 4.22Å; L118-L121 WeakPolarHBondContact O-CB 3.48Å; L118-L121 PolarHBondContact O-N 2.98Å; L121-L124 HydrophobicContact CD2-CB 4.17Å; L121-L124 HydrophobicContact CD2-CD1 4.28Å; L121-L124 HydrophobicContact CD2-CD2 4.15Å; L121-L124 HydrophobicContact CD2-CG 4.44Å; L121-V147 HydrophobicContact CB-CG1 4.35Å; L121-V147 HydrophobicContact CD2-CG1 4.24Å; L121-S150 CarbonylContact O-C 3.59Å; L121-S150 VanDerWaalsContact O-CB 3.23Å; L121-S150 WeakPolarHBondContact O-CB 3.08Å; L121-S150 PolarHBondContact O-OG 2.8Å; L121-L151 HydrophobicContact CD2-CD1 4.27Å; L121-L151 HydrophobicContact CG-CD1 4.1Å; L121-L151 WeakPolarHBondContact O-CA 3.31Å; L121-L151 PolarHBondContact O-N 3.39Å
122	Q	98.8	Very high	97.7	Very high	76 Å²	76	42.4 Å²	42.4	36%	0.355	21%	0.213	S	C	.	.			trans	-106.5	-38.6	-177.5	-77	175.3	25.1	0	0	111.8	E100 R120 S150 I152 C153	E100-Q122 WeakPolarHBondContact O-CA 3.08Å; E100-Q122 PolarHBondContact O-N 3.17Å; R120-Q122 PolarHBondContact O-N 3.21Å; Q122-S150 WeakPolarHBondContact CA-O 3.13Å; Q122-I152 HydrophobicContact CB-CD1 4.04Å; Q122-I152 HydrophobicContact CB-CG1 3.83Å; Q122-I152 HydrophobicContact CG-CD1 4.34Å; Q122-I152 HydrophobicContact CG-CG1 4.35Å; Q122-I152 WeakPolarHBondContact O-CG1 3.39Å; Q122-I152 PolarHBondContact O-N 3.39Å; Q122-C153 PolarHBondContact O-N 2.52Å
123	E	98.9	Very high	97.5	Very high	25 Å²	25	48.3 Å²	48.3	12%	0.117	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	122.4	-179.2	-175.1	170.3	-177	0	0	110.7	E100 K101 L102 F103 R125 C153	E100-E123 PolarHBondContact O-N 3.22Å; K101-E123 WeakPolarHBondContact CA-O 3.49Å; K101-E123 HydrophobicContact CB-CB 4.33Å; K101-E123 HydrophobicContact CD-CB 4.35Å; K101-E123 WeakPolarHBondContact CD-OE2 3.23Å; K101-E123 HydrophobicContact CG-CB 4.1Å; K101-E123 IonicContact NZ-OE2 2.74Å; L102-E123 PolarHBondContact N-O 2.83Å; F103-E123 HydrophobicContact CZ-CG 4.38Å; E123-R125 HydrophobicContact CG-CG 4.37Å; E123-R125 IonicContact OE1-CZ 2.83Å; E123-R125 VanDerWaalsContact OE1-CZ 3.24Å; E123-R125 IonicContact OE1-NE 3.26Å; E123-R125 PolarHBondContact OE1-NE 2.9Å; E123-R125 IonicContact OE1-NH2 3.49Å; E123-R125 PolarHBondContact OE1-NH2 3.44Å; E123-C153 WeakPolarHBondContact CA-O 3.12Å; E123-C153 HydrophobicContact CB-CB 4.21Å; E123-C153 HydrophobicContact CG-CB 4.01Å
124	L	98.9	Very high	97.3	Very high	3 Å²	3	50.5 Å²	50.5	2%	0.016	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	119.2	177.1	-177.5	54.7	0	0	0	109.4	L102 L115 L121 I126 L151 C153 L154 D155	L102-L124 HydrophobicContact CB-CD1 4Å; L102-L124 HydrophobicContact CD2-CD1 3.92Å; L102-L124 HydrophobicContact CG-CD1 3.99Å; L102-L124 WeakPolarHBondContact O-CA 3.31Å; L115-L124 HydrophobicContact CD1-CD2 3.85Å; L121-L124 HydrophobicContact CD2-CB 4.17Å; L121-L124 HydrophobicContact CD2-CD1 4.28Å; L121-L124 HydrophobicContact CD2-CD2 4.15Å; L121-L124 HydrophobicContact CD2-CG 4.44Å; L124-I126 HydrophobicContact CD1-CD1 3.69Å; L124-I126 HydrophobicContact CD1-CG1 3.73Å; L124-I126 HydrophobicContact CD2-CD1 3.84Å; L124-I126 HydrophobicContact CD2-CG1 4.48Å; L124-I126 HydrophobicContact CG-CD1 3.71Å; L124-I126 HydrophobicContact CG-CG1 3.81Å; L124-L151 HydrophobicContact CB-CD1 3.6Å; L124-L151 HydrophobicContact CB-CD2 4.4Å; L124-L151 HydrophobicContact CD2-CD2 4.5Å; L124-C153 PolarHBondContact N-O 3.27Å; L124-L154 HydrophobicContact CB-CD1 4.08Å; L124-L154 HydrophobicContact CD2-CD1 4.22Å; L124-L154 HydrophobicContact CG-CD1 4.14Å; L124-L154 WeakPolarHBondContact O-CA 3.32Å; L124-D155 PolarHBondContact O-N 3.12Å
125	R	98.9	Very high	97.2	Very high	92 Å²	92	54.2 Å²	54.2	35%	0.347	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	117	174.9	-57.7	-155	-171.4	-162.6	-1.5	110.6	L102 F103 L104 S105 E123 D155	L102-R125 PolarHBondContact O-N 2.89Å; F103-R125 HydrophobicContact CD1-CB 3.88Å; F103-R125 HydrophobicContact CD1-CG 3.69Å; F103-R125 HydrophobicContact CE1-CG 3.86Å; L104-R125 CarbonylContact C-O 3.5Å; L104-R125 WeakPolarHBondContact CA-O 3.12Å; L104-R125 PolarHBondContact N-O 3.49Å; S105-R125 PolarHBondContact N-O 3.45Å; E123-R125 HydrophobicContact CG-CG 4.37Å; E123-R125 IonicContact OE1-CZ 2.83Å; E123-R125 VanDerWaalsContact OE1-CZ 3.24Å; E123-R125 IonicContact OE1-NE 3.26Å; E123-R125 PolarHBondContact OE1-NE 2.9Å; E123-R125 IonicContact OE1-NH2 3.49Å; E123-R125 PolarHBondContact OE1-NH2 3.44Å; R125-D155 HydrophobicContact CB-CB 4.25Å; R125-D155 HydrophobicContact CG-CB 4.07Å
126	I	98.4	Very high	97.2	Very high	1 Å²	1	56.1 Å²	56.1	1%	0.005	31%	0.312	C	S	.	.			trans	-132.2	27.9	-179.4	-42.9	-179.4	0	0	0	109.4	I90 L104 I112 L124 Q129 D155 N159	I90-I126 HydrophobicContact CD1-CD1 4.23Å; L104-I126 HydrophobicContact CB-CG1 4.37Å; L104-I126 HydrophobicContact CB-CG2 4.49Å; I112-I126 HydrophobicContact CD1-CB 4.44Å; I112-I126 HydrophobicContact CD1-CD1 3.34Å; I112-I126 HydrophobicContact CD1-CG1 4.46Å; I112-I126 HydrophobicContact CD1-CG2 3.83Å; I112-I126 HydrophobicContact CG1-CD1 4.09Å; I112-I126 HydrophobicContact CG2-CD1 4.17Å; L124-I126 HydrophobicContact CD1-CD1 3.69Å; L124-I126 HydrophobicContact CD1-CG1 3.73Å; L124-I126 HydrophobicContact CD2-CD1 3.84Å; L124-I126 HydrophobicContact CD2-CG1 4.48Å; L124-I126 HydrophobicContact CG-CD1 3.71Å; L124-I126 HydrophobicContact CG-CG1 3.81Å; I126-Q129 HydrophobicContact CG2-CG 3.77Å; I126-Q129 VanDerWaalsContact CG2-NE2 3.34Å; I126-Q129 WeakPolarHBondContact O-CG 3.41Å; I126-Q129 PolarHBondContact O-NE2 2.8Å; I126-Q129 VanDerWaalsContact O-NE2 3.13Å; I126-D155 CarbonylContact C-O 3.24Å; I126-D155 PolarHBondContact N-O 2.84Å; I126-N159 PolarHBondContact O-ND2 3.34Å
127	D	98.7	Very high	97.2	Very high	19 Å²	19	52.7 Å²	52.7	10%	0.102	30%	0.296	C	S	.	.			trans	-63.8	153.2	179.5	61.9	-76.7	0	0	0	113	S105 R106 Q129 D155 S157	S105-D127 CarbonylContact C-O 3.29Å; S105-D127 VanDerWaalsContact CA-O 3.25Å; S105-D127 WeakPolarHBondContact CA-O 3.34Å; S105-D127 WeakPolarHBondContact CB-OD1 3.28Å; S105-D127 PolarHBondContact OG-OD1 2.98Å; R106-D127 PolarHBondContact N-O 3.39Å; D127-Q129 PolarHBondContact O-N 2.75Å; D127-Q129 PolarHBondContact O-NE2 2.81Å; D127-D155 WeakPolarHBondContact CB-OD1 3.46Å; D127-D155 PolarHBondContact N-O 2.9Å; D127-S157 CarbonylContact C-O 3.45Å; D127-S157 WeakPolarHBondContact CA-O 3.35Å; D127-S157 WeakPolarHBondContact CB-O 3.16Å; D127-S157 VanDerWaalsContact CB-OG 3.26Å; D127-S157 WeakPolarHBondContact CB-OG 3.36Å
128	N	98.6	Very high	97.3	Very high	66 Å²	66	56.3 Å²	56.3	35%	0.353	31%	0.31	S	S	.	.	S	Bend	trans	55.1	48.1	170.9	-60.2	-69.4	0	0	0	114	R106 S157 N159	R106-N128 VanDerWaalsContact CA-O 3.29Å; R106-N128 WeakPolarHBondContact CA-O 3.43Å; R106-N128 HydrophobicContact CG-CB 3.87Å; N128-S157 PolarHBondContact N-O 3.31Å; N128-N159 PolarHBondContact N-OD1 3.25Å
129	Q	98.7	Very high	97.3	Very high	9 Å²	9	57.2 Å²	57.2	4%	0.042	31%	0.314	C	S	.	.			trans	-67	139	171.3	-59.5	-55.2	-54.8	0	0	110.6	L104 N107 I109 I126 D127 L131 L137 N159	L104-Q129 PolarHBondContact O-NE2 3.28Å; N107-Q129 VanDerWaalsContact CA-OE1 3.31Å; N107-Q129 PolarHBondContact O-OE1 3.02Å; I109-Q129 HydrophobicContact CB-CG 4.43Å; I109-Q129 WeakPolarHBondContact O-CB 3.01Å; I109-Q129 WeakPolarHBondContact O-CG 3.35Å; I126-Q129 HydrophobicContact CG2-CG 3.77Å; I126-Q129 VanDerWaalsContact CG2-NE2 3.34Å; I126-Q129 WeakPolarHBondContact O-CG 3.41Å; I126-Q129 PolarHBondContact O-NE2 2.8Å; I126-Q129 VanDerWaalsContact O-NE2 3.13Å; D127-Q129 PolarHBondContact O-N 2.75Å; D127-Q129 PolarHBondContact O-NE2 2.81Å; Q129-L131 HydrophobicContact CB-CD2 3.93Å; Q129-L131 HydrophobicContact CB-CG 3.95Å; Q129-L131 PolarHBondContact O-N 3Å; Q129-L137 HydrophobicContact CG-CD1 4.34Å; Q129-N159 WeakPolarHBondContact CB-OD1 3.31Å; Q129-N159 WeakPolarHBondContact CG-OD1 3.31Å; Q129-N159 PolarHBondContact N-OD1 3.42Å
130	N	97.8	Very high	97.4	Very high	118 Å²	118	54.6 Å²	54.6	63%	0.631	30%	0.297	S	S	*	.			trans	-79.8	77.1	174.2	-175.2	47.5	0	0	0	109.7	N107	N107-N130 WeakPolarHBondContact O-CB 3.44Å; N107-N130 PolarHBondContact O-N 3.36Å
131	L	96.4	Very high	97.4	Very high	13 Å²	13	52.8 Å²	52.8	7%	0.068	30%	0.297	C	S	.	.	P	Polyproline II helix	trans	-84.7	147.3	178.9	-57.3	177	0	0	0	111.1	I109 Q129 E135 L137 K160	I109-L131 VanDerWaalsContact O-CD2 3.31Å; I109-L131 WeakPolarHBondContact O-CD2 3.29Å; Q129-L131 HydrophobicContact CB-CD2 3.93Å; Q129-L131 HydrophobicContact CB-CG 3.95Å; Q129-L131 PolarHBondContact O-N 3Å; L131-E135 HydrophobicContact CB-CB 4.46Å; L131-L137 HydrophobicContact CD1-CB 4.28Å; L131-K160 PolarHBondContact O-NZ 2.93Å
132	D	95	Very high	97.3	Very high	104 Å²	104	60.7 Å²	60.7	56%	0.556	33%	0.327	S	S	*	.	P	Polyproline II helix	trans	-61.4	156.3	176.4	-78	-23.8	0	0	0	111.8	G134 E135 K160	D132-G134 PolarHBondContact O-N 2.99Å; D132-E135 HydrophobicContact CB-CG 4.16Å; D132-E135 PolarHBondContact O-N 2.95Å; D132-E135 VanDerWaalsContact O-N 3.14Å; D132-K160 PolarHBondContact O-NZ 3.01Å
133	P	94.2	Very high	97.2	Very high	127 Å²	127	57 Å²	57	83%	0.825	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.8	127.8	177.2	-24.3	34.9	0	0	0	111.7	E135	P133-E135 VanDerWaalsContact C-N 3.34Å
134	G	93.5	Very high	97.1	Very high	86 Å²	86	56.1 Å²	56.1	89%	0.887	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	88.8	-9.6	-178.7	0	0	0	0	0	115.1	D132	D132-G134 PolarHBondContact O-N 2.99Å
135	E	95.5	Very high	97	Very high	90 Å²	90	59.7 Å²	59.7	42%	0.421	33%	0.325	S	S	.	.			trans	-91.2	150.1	174.7	-59.4	-165.7	157.9	0	0	112.1	L131 D132 P133 K160	L131-E135 HydrophobicContact CB-CB 4.46Å; D132-E135 HydrophobicContact CB-CG 4.16Å; D132-E135 PolarHBondContact O-N 2.95Å; D132-E135 VanDerWaalsContact O-N 3.14Å; P133-E135 VanDerWaalsContact C-N 3.34Å; E135-K160 WeakPolarHBondContact O-CD 3.32Å
136	S	96.5	Very high	96.9	Very high	39 Å²	39	56.9 Å²	56.9	27%	0.273	32%	0.319	S	S	.	.			trans	-122.6	162.5	169.3	59.3	0	0	0	0	109.7	I138 K160	S136-I138 PolarHBondContact O-N 2.95Å; S136-K160 WeakPolarHBondContact CB-O 3.35Å
137	L	97.8	Very high	96.9	Very high	3 Å²	3	56.8 Å²	56.8	2%	0.016	32%	0.319	C	S	.	.			trans	-67.9	129.7	176	-172.3	74.4	0	0	0	110.1	I109 I112 Q129 L131 F139 V156 N159 L161	I109-L137 VanDerWaalsContact O-CD1 3.25Å; I109-L137 WeakPolarHBondContact O-CD1 3.39Å; I112-L137 HydrophobicContact CD1-CD1 3.67Å; I112-L137 HydrophobicContact CD1-CD2 3.95Å; I112-L137 HydrophobicContact CD1-CG 4.07Å; I112-L137 HydrophobicContact CG1-CD1 4.1Å; I112-L137 HydrophobicContact CG1-CD2 3.89Å; I112-L137 HydrophobicContact CG1-CG 3.98Å; Q129-L137 HydrophobicContact CG-CD1 4.34Å; L131-L137 HydrophobicContact CD1-CB 4.28Å; L137-F139 HydrophobicContact CD2-CE1 4.01Å; L137-F139 HydrophobicContact CD2-CZ 3.81Å; L137-F139 HydrophobicContact CG-CZ 4.29Å; L137-V156 HydrophobicContact CD2-CG1 4.3Å; L137-N159 HydrophobicContact CB-CB 3.81Å; L137-N159 HydrophobicContact CD2-CB 4.13Å; L137-N159 PolarHBondContact N-O 2.79Å; L137-L161 HydrophobicContact CB-CD2 3.96Å; L137-L161 WeakPolarHBondContact O-CD2 3.39Å
138	I	97.5	Very high	96.8	Very high	93 Å²	93	56.1 Å²	56.1	48%	0.477	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	151.9	-179.8	-60.1	167.4	0	0	0	109	S110 I111 I112 S136	S110-I138 PolarHBondContact O-N 3.4Å; I111-I138 CarbonylContact C-O 3.24Å; I111-I138 WeakPolarHBondContact CA-O 3.45Å; I111-I138 HydrophobicContact CG1-CB 4.42Å; I112-I138 PolarHBondContact N-O 3.49Å; S136-I138 PolarHBondContact O-N 2.95Å
139	F	97.9	Very high	96.7	Very high	18 Å²	18	59.1 Å²	59.1	8%	0.079	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	135.1	178.9	-55.8	-87.3	0	0	0	111.2	I112 L137 L144 V156 L161 D166 L167	I112-F139 HydrophobicContact CB-CD1 3.69Å; I112-F139 HydrophobicContact CB-CE1 4.25Å; I112-F139 HydrophobicContact CG1-CD1 3.57Å; I112-F139 HydrophobicContact CG1-CE1 3.61Å; I112-F139 HydrophobicContact CG2-CD1 4.25Å; L137-F139 HydrophobicContact CD2-CE1 4.01Å; L137-F139 HydrophobicContact CD2-CZ 3.81Å; L137-F139 HydrophobicContact CG-CZ 4.29Å; F139-L144 HydrophobicContact CB-CD1 3.53Å; F139-L144 HydrophobicContact CB-CG 3.99Å; F139-L144 HydrophobicContact CD1-CD1 4.11Å; F139-L144 HydrophobicContact CD1-CD2 4.03Å; F139-L144 HydrophobicContact CD1-CG 4.4Å; F139-L144 HydrophobicContact CG-CD1 3.94Å; F139-V156 HydrophobicContact CE1-CG1 4.21Å; F139-V156 HydrophobicContact CZ-CG1 4.19Å; F139-L161 HydrophobicContact CE2-CD1 4.3Å; F139-L161 HydrophobicContact CE2-CD2 3.7Å; F139-L161 HydrophobicContact CZ-CD1 4.17Å; F139-L161 HydrophobicContact CZ-CD2 4.17Å; F139-D166 HydrophobicContact CB-CB 4.12Å; F139-D166 HydrophobicContact CD2-CB 3.9Å; F139-D166 HydrophobicContact CG-CB 4.3Å; F139-L167 HydrophobicContact CD1-CD2 3.83Å; F139-L167 HydrophobicContact CD2-CD2 4.24Å; F139-L167 HydrophobicContact CE1-CD2 3.61Å; F139-L167 HydrophobicContact CE2-CD2 4.03Å; F139-L167 HydrophobicContact CE2-CG 4.39Å; F139-L167 HydrophobicContact CG-CD2 4.15Å; F139-L167 HydrophobicContact CZ-CD1 4.42Å; F139-L167 HydrophobicContact CZ-CD2 3.72Å; F139-L167 HydrophobicContact CZ-CG 4.33Å
140	D	97.4	Very high	96.7	Very high	31 Å²	31	59.6 Å²	59.6	17%	0.166	34%	0.337	C	S	.	.			trans	-84.5	126.6	167.3	173.8	97.5	0	0	0	109.7	I112 E113 R142 S143 L144	I112-D140 WeakPolarHBondContact O-CB 3.22Å; I112-D140 PolarHBondContact O-N 3.13Å; E113-D140 HydrophobicContact CB-CB 4.01Å; D140-R142 VanDerWaalsContact C-N 3.3Å; D140-R142 PolarHBondContact O-N 2.89Å; D140-R142 IonicContact OD1-CZ 3.15Å; D140-R142 IonicContact OD1-NE 3.49Å; D140-R142 PolarHBondContact OD1-NE 2.75Å; D140-R142 IonicContact OD1-NH2 2.71Å; D140-R142 PolarHBondContact OD1-NH2 3.18Å; D140-R142 WeakPolarHBondContact OD2-CA 2.89Å; D140-R142 WeakPolarHBondContact OD2-CB 3.4Å; D140-R142 PolarHBondContact OD2-N 3.27Å; D140-R142 IonicContact OD2-NE 3.11Å; D140-R142 PolarHBondContact OD2-NE 3.3Å; D140-S143 PolarHBondContact O-N 3.1Å; D140-S143 PolarHBondContact OD2-N 3.02Å; D140-L144 PolarHBondContact O-N 3.38Å
141	D	97.1	Very high	96.7	Very high	96 Å²	96	54 Å²	54	51%	0.513	31%	0.307	S	S	.	.	H	α-helix	trans	-60.4	-36.3	-177.4	-74.2	-23.3	0	0	0	113.1	S143 L144 N145	D141-S143 VanDerWaalsContact C-N 3.35Å; D141-L144 PolarHBondContact O-N 3.28Å; D141-N145 WeakPolarHBondContact O-CB 3.18Å; D141-N145 PolarHBondContact O-N 3.1Å; D141-N145 PolarHBondContact O-ND2 3.14Å
142	R	96.7	Very high	96.8	Very high	165 Å²	165	56.3 Å²	56.3	62%	0.623	32%	0.319	S	S	*	.	H	α-helix	trans	-67.4	-42.5	-178.2	-59.5	167.1	-71.2	173.5	-1.6	109.9	D140 N145 S146	D140-R142 VanDerWaalsContact C-N 3.3Å; D140-R142 PolarHBondContact O-N 2.89Å; D140-R142 IonicContact OD1-CZ 3.15Å; D140-R142 IonicContact OD1-NE 3.49Å; D140-R142 PolarHBondContact OD1-NE 2.75Å; D140-R142 IonicContact OD1-NH2 2.71Å; D140-R142 PolarHBondContact OD1-NH2 3.18Å; D140-R142 WeakPolarHBondContact OD2-CA 2.89Å; D140-R142 WeakPolarHBondContact OD2-CB 3.4Å; D140-R142 PolarHBondContact OD2-N 3.27Å; D140-R142 IonicContact OD2-NE 3.11Å; D140-R142 PolarHBondContact OD2-NE 3.3Å; R142-N145 PolarHBondContact O-N 3.22Å; R142-S146 PolarHBondContact O-N 2.86Å
143	S	97.4	Very high	97	Very high	0 Å²	0	52.7 Å²	52.7	0%	0	30%	0.301	C	S	.	.	H	α-helix	trans	-66.5	-39.8	175.8	-78.5	0	0	0	0	113.2	E113 G114 L115 E116 D140 D141 S146	E113-S143 VanDerWaalsContact C-OG 3.26Å; E113-S143 VanDerWaalsContact CA-OG 3.32Å; E113-S143 WeakPolarHBondContact CA-OG 3.42Å; G114-S143 PolarHBondContact N-OG 2.94Å; L115-S143 PolarHBondContact N-OG 2.98Å; L115-S143 VanDerWaalsContact N-OG 3.13Å; E116-S143 PolarHBondContact OE1-OG 3.46Å; D140-S143 PolarHBondContact O-N 3.1Å; D140-S143 PolarHBondContact OD2-N 3.02Å; D141-S143 VanDerWaalsContact C-N 3.35Å; S143-S146 PolarHBondContact O-OG 3.46Å
144	L	97.3	Very high	97.3	Very high	5 Å²	5	46.9 Å²	46.9	3%	0.026	26%	0.263	C	S	.	.	H	α-helix	trans	-69.2	-41.3	174.3	-70.6	-169	0	0	0	112.3	F139 D140 D141 S146 V147 A148 D166 L167 L170	F139-L144 HydrophobicContact CB-CD1 3.53Å; F139-L144 HydrophobicContact CB-CG 3.99Å; F139-L144 HydrophobicContact CD1-CD1 4.11Å; F139-L144 HydrophobicContact CD1-CD2 4.03Å; F139-L144 HydrophobicContact CD1-CG 4.4Å; F139-L144 HydrophobicContact CG-CD1 3.94Å; D140-L144 PolarHBondContact O-N 3.38Å; D141-L144 PolarHBondContact O-N 3.28Å; L144-S146 VanDerWaalsContact C-N 3.3Å; L144-S146 PolarHBondContact O-N 2.96Å; L144-V147 PolarHBondContact O-N 3.41Å; L144-A148 PolarHBondContact O-N 2.9Å; L144-D166 HydrophobicContact CD1-CB 4.34Å; L144-D166 VanDerWaalsContact CD1-O 3.22Å; L144-D166 WeakPolarHBondContact CD1-O 3.47Å; L144-L167 HydrophobicContact CD1-CD2 3.99Å; L144-L167 HydrophobicContact CD2-CD2 4.45Å; L144-L170 HydrophobicContact CB-CD2 4.38Å; L144-L170 HydrophobicContact CD2-CD1 4.4Å; L144-L170 HydrophobicContact CD2-CD2 4.35Å
145	N	96.6	Very high	97.5	Very high	78 Å²	78	43.6 Å²	43.6	42%	0.417	23%	0.225	S	C	.	.	H	α-helix	trans	-65.3	-33	179	-71.6	-34.5	0	0	0	112.2	D141 R142 V147 A148 N169	D141-N145 WeakPolarHBondContact O-CB 3.18Å; D141-N145 PolarHBondContact O-N 3.1Å; D141-N145 PolarHBondContact O-ND2 3.14Å; R142-N145 PolarHBondContact O-N 3.22Å; N145-V147 VanDerWaalsContact C-N 3.31Å; N145-V147 PolarHBondContact O-N 2.88Å; N145-A148 PolarHBondContact O-N 3.19Å; N145-N169 PolarHBondContact OD1-ND2 2.95Å
146	S	96.7	Very high	97.7	Very high	33 Å²	33	39.3 Å²	39.3	23%	0.231	21%	0.205	C	C	.	.	H	α-helix	trans	-66.3	-32.6	177.4	67	0	0	0	0	112.9	L115 E116 R142 S143 L144	L115-S146 PolarHBondContact O-OG 2.89Å; L115-S146 VanDerWaalsContact O-OG 3.04Å; E116-S146 WeakPolarHBondContact CA-OG 3.38Å; R142-S146 PolarHBondContact O-N 2.86Å; S143-S146 PolarHBondContact O-OG 3.46Å; L144-S146 VanDerWaalsContact C-N 3.3Å; L144-S146 PolarHBondContact O-N 2.96Å
147	V	97.6	Very high	97.8	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-100.4	-2	-179.8	-55.2	0	0	0	0	113.7	L115 L121 L144 N145 N149 S150 L151 L170	L115-V147 HydrophobicContact CB-CG1 3.99Å; L121-V147 HydrophobicContact CB-CG1 4.35Å; L121-V147 HydrophobicContact CD2-CG1 4.24Å; L144-V147 PolarHBondContact O-N 3.41Å; N145-V147 VanDerWaalsContact C-N 3.31Å; N145-V147 PolarHBondContact O-N 2.88Å; V147-N149 PolarHBondContact O-N 3.39Å; V147-N149 VanDerWaalsContact O-N 3.1Å; V147-S150 PolarHBondContact O-N 2.87Å; V147-S150 PolarHBondContact O-OG 2.99Å; V147-L151 HydrophobicContact CB-CB 4.3Å; V147-L151 HydrophobicContact CG2-CB 4.3Å; V147-L151 HydrophobicContact CG2-CD2 4.22Å; V147-L151 VanDerWaalsContact O-CB 3.31Å; V147-L151 WeakPolarHBondContact O-CB 3.39Å; V147-L151 PolarHBondContact O-N 2.75Å; V147-L170 HydrophobicContact CG2-CD2 4.16Å
148	A	97.2	Very high	97.8	Very high	5 Å²	5	38.4 Å²	38.4	4%	0.041	20%	0.202	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.5	-32.7	-175.7	0	0	0	0	0	114.3	L144 N145 N169 L170 H171 A172	L144-A148 PolarHBondContact O-N 2.9Å; N145-A148 PolarHBondContact O-N 3.19Å; A148-N169 WeakPolarHBondContact CB-O 3.43Å; A148-L170 HydrophobicContact CB-CD2 4.36Å; A148-H171 PolarHBondContact O-CE1 2.9Å; A148-A172 WeakPolarHBondContact O-CB 3.25Å; A148-A172 PolarHBondContact O-N 3.48Å
149	N	96.8	Very high	97.8	Very high	128 Å²	128	34 Å²	34	68%	0.684	18%	0.179	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87.5	-19.5	179.8	-69.5	-75	0	0	0	114.1	V147 H171	V147-N149 PolarHBondContact O-N 3.39Å; V147-N149 VanDerWaalsContact O-N 3.1Å; N149-H171 PolarHBondContact OD1-CE1 3.36Å; N149-H171 PolarHBondContact OD1-NE2 2.91Å; N149-H171 VanDerWaalsContact OD1-NE2 3.1Å
150	S	98.1	Very high	97.8	Very high	20 Å²	20	36.8 Å²	36.8	14%	0.14	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	-107.3	-30.8	-172.9	64.7	0	0	0	0	113	T119 L121 Q122 V147 I152	T119-S150 WeakPolarHBondContact O-CB 3.18Å; L121-S150 CarbonylContact O-C 3.59Å; L121-S150 VanDerWaalsContact O-CB 3.23Å; L121-S150 WeakPolarHBondContact O-CB 3.08Å; L121-S150 PolarHBondContact O-OG 2.8Å; Q122-S150 WeakPolarHBondContact CA-O 3.13Å; V147-S150 PolarHBondContact O-N 2.87Å; V147-S150 PolarHBondContact O-OG 2.99Å; S150-I152 PolarHBondContact O-N 3.24Å
151	L	98.6	Very high	97.8	Very high	1 Å²	1	35.5 Å²	35.5	1%	0.005	18%	0.184	C	C	.	.			trans	-76.7	114.1	-170.5	-164.8	71.5	0	0	0	111.4	L121 L124 V147 L154 L170 A172 L173	L121-L151 HydrophobicContact CD2-CD1 4.27Å; L121-L151 HydrophobicContact CG-CD1 4.1Å; L121-L151 WeakPolarHBondContact O-CA 3.31Å; L121-L151 PolarHBondContact O-N 3.39Å; L124-L151 HydrophobicContact CB-CD1 3.6Å; L124-L151 HydrophobicContact CB-CD2 4.4Å; L124-L151 HydrophobicContact CD2-CD2 4.5Å; V147-L151 HydrophobicContact CB-CB 4.3Å; V147-L151 HydrophobicContact CG2-CB 4.3Å; V147-L151 HydrophobicContact CG2-CD2 4.22Å; V147-L151 VanDerWaalsContact O-CB 3.31Å; V147-L151 WeakPolarHBondContact O-CB 3.39Å; V147-L151 PolarHBondContact O-N 2.75Å; L151-L154 HydrophobicContact CD2-CB 4.17Å; L151-L154 HydrophobicContact CD2-CD1 4.27Å; L151-L154 HydrophobicContact CD2-CD2 4.37Å; L151-L170 HydrophobicContact CD2-CD1 4.14Å; L151-L170 HydrophobicContact CD2-CD2 4.4Å; L151-A172 CarbonylContact O-C 3.51Å; L151-A172 VanDerWaalsContact O-C 3.29Å; L151-A172 WeakPolarHBondContact O-CB 3.41Å; L151-L173 HydrophobicContact CD2-CD2 4.42Å; L151-L173 HydrophobicContact CG-CD2 4.31Å; L151-L173 PolarHBondContact O-N 3.13Å
152	I	98.7	Very high	97.8	Very high	61 Å²	61	35.8 Å²	35.8	31%	0.313	19%	0.186	S	C	.	.			trans	-106.6	-24.5	-177.5	59	170.3	0	0	0	112.7	Q122 S150 I174 S175	Q122-I152 HydrophobicContact CB-CD1 4.04Å; Q122-I152 HydrophobicContact CB-CG1 3.83Å; Q122-I152 HydrophobicContact CG-CD1 4.34Å; Q122-I152 HydrophobicContact CG-CG1 4.35Å; Q122-I152 WeakPolarHBondContact O-CG1 3.39Å; Q122-I152 PolarHBondContact O-N 3.39Å; S150-I152 PolarHBondContact O-N 3.24Å; I152-I174 HydrophobicContact CB-CD1 4.27Å; I152-I174 HydrophobicContact CB-CG1 4.41Å; I152-I174 HydrophobicContact CG2-CD1 4.27Å; I152-I174 PolarHBondContact O-N 3.22Å; I152-S175 PolarHBondContact O-N 2.81Å
153	C	98.8	Very high	97.7	Very high	27 Å²	27	29.8 Å²	29.8	18%	0.182	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	122.4	-178.1	-177	0	0	0	0	109.7	Q122 E123 L124 S175	Q122-C153 PolarHBondContact O-N 2.52Å; E123-C153 WeakPolarHBondContact CA-O 3.12Å; E123-C153 HydrophobicContact CB-CB 4.21Å; E123-C153 HydrophobicContact CG-CB 4.01Å; L124-C153 PolarHBondContact N-O 3.27Å; C153-S175 WeakPolarHBondContact CA-O 3.48Å
154	L	98.8	Very high	97.7	Very high	6 Å²	6	29.9 Å²	29.9	3%	0.031	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	127.4	178.8	177.8	60.5	0	0	0	110.8	L124 L151 V156 L167 L170 L173 S175 L176 N177	L124-L154 HydrophobicContact CB-CD1 4.08Å; L124-L154 HydrophobicContact CD2-CD1 4.22Å; L124-L154 HydrophobicContact CG-CD1 4.14Å; L124-L154 WeakPolarHBondContact O-CA 3.32Å; L151-L154 HydrophobicContact CD2-CB 4.17Å; L151-L154 HydrophobicContact CD2-CD1 4.27Å; L151-L154 HydrophobicContact CD2-CD2 4.37Å; L154-V156 HydrophobicContact CD1-CG1 3.7Å; L154-V156 HydrophobicContact CD2-CG1 4.17Å; L154-V156 HydrophobicContact CG-CG1 3.9Å; L154-L167 HydrophobicContact CD2-CD1 4.08Å; L154-L167 HydrophobicContact CD2-CD2 4.06Å; L154-L170 HydrophobicContact CD2-CD1 3.62Å; L154-L173 HydrophobicContact CB-CD2 3.7Å; L154-S175 PolarHBondContact N-O 3.25Å; L154-L176 HydrophobicContact CB-CD1 3.95Å; L154-L176 HydrophobicContact CD2-CD1 3.95Å; L154-L176 HydrophobicContact CG-CD1 3.97Å; L154-L176 WeakPolarHBondContact O-CA 3.42Å; L154-N177 PolarHBondContact O-N 2.98Å
155	D	98.9	Very high	97.6	Very high	16 Å²	16	36 Å²	36	9%	0.086	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	113.5	169	-161.3	-24.8	0	0	0	110.5	L124 R125 I126 D127 S157 N177	L124-D155 PolarHBondContact O-N 3.12Å; R125-D155 HydrophobicContact CB-CB 4.25Å; R125-D155 HydrophobicContact CG-CB 4.07Å; I126-D155 CarbonylContact C-O 3.24Å; I126-D155 PolarHBondContact N-O 2.84Å; D127-D155 WeakPolarHBondContact CB-OD1 3.46Å; D127-D155 PolarHBondContact N-O 2.9Å; D155-S157 VanDerWaalsContact OD1-CB 3.27Å; D155-S157 WeakPolarHBondContact OD1-CB 3.35Å; D155-S157 PolarHBondContact OD1-N 3.28Å; D155-S157 PolarHBondContact OD1-OG 2.99Å; D155-N177 HydrophobicContact CB-CB 4.26Å; D155-N177 VanDerWaalsContact CG-ND2 3.34Å; D155-N177 PolarHBondContact OD1-ND2 2.98Å; D155-N177 PolarHBondContact OD2-ND2 3.11Å
156	V	98.7	Very high	97.5	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	19%	0.193	C	C	.	.			trans	-125.4	26.1	175.4	-66.4	0	0	0	0	110.7	L137 F139 L154 N159 L161 L167 N177 V178 N181	L137-V156 HydrophobicContact CD2-CG1 4.3Å; F139-V156 HydrophobicContact CE1-CG1 4.21Å; F139-V156 HydrophobicContact CZ-CG1 4.19Å; L154-V156 HydrophobicContact CD1-CG1 3.7Å; L154-V156 HydrophobicContact CD2-CG1 4.17Å; L154-V156 HydrophobicContact CG-CG1 3.9Å; V156-N159 PolarHBondContact O-ND2 3.06Å; V156-L161 HydrophobicContact CB-CD1 4.06Å; V156-L161 HydrophobicContact CG2-CD1 3.74Å; V156-L167 HydrophobicContact CG2-CD1 4.14Å; V156-N177 PolarHBondContact N-O 3.05Å; V156-V178 HydrophobicContact CG2-CG1 3.74Å; V156-N181 PolarHBondContact O-ND2 3.39Å
157	S	98.7	Very high	97.5	Very high	7 Å²	7	33.9 Å²	33.9	5%	0.049	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.6	150.4	178.1	58.5	0	0	0	0	112.5	D127 N128 D155 N159 N177 S179	D127-S157 CarbonylContact C-O 3.45Å; D127-S157 WeakPolarHBondContact CA-O 3.35Å; D127-S157 WeakPolarHBondContact CB-O 3.16Å; D127-S157 VanDerWaalsContact CB-OG 3.26Å; D127-S157 WeakPolarHBondContact CB-OG 3.36Å; N128-S157 PolarHBondContact N-O 3.31Å; D155-S157 VanDerWaalsContact OD1-CB 3.27Å; D155-S157 WeakPolarHBondContact OD1-CB 3.35Å; D155-S157 PolarHBondContact OD1-N 3.28Å; D155-S157 PolarHBondContact OD1-OG 2.99Å; S157-N159 VanDerWaalsContact C-N 3.34Å; S157-N159 PolarHBondContact O-N 2.66Å; S157-N177 PolarHBondContact N-O 2.96Å; S157-S179 CarbonylContact C-O 3.25Å; S157-S179 WeakPolarHBondContact CA-O 3.46Å; S157-S179 WeakPolarHBondContact CB-O 3.43Å; S157-S179 WeakPolarHBondContact CB-OG 3.43Å
158	G	98.4	Very high	97.3	Very high	17 Å²	17	35.1 Å²	35.1	18%	0.175	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	70.5	24	174.6	0	0	0	0	0	115.4	S179 N180	G158-S179 PolarHBondContact N-O 3.15Å; G158-N180 VanDerWaalsContact CA-O 3.31Å; G158-N180 WeakPolarHBondContact CA-O 3.36Å
159	N	98.5	Very high	97.1	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	21%	0.21	C	C	.	.	S	Bend	trans	-114.7	18.1	-172.4	-76	-32.8	0	0	0	114.2	I126 N128 Q129 L137 V156 S157 L161 N181	I126-N159 PolarHBondContact O-ND2 3.34Å; N128-N159 PolarHBondContact N-OD1 3.25Å; Q129-N159 WeakPolarHBondContact CB-OD1 3.31Å; Q129-N159 WeakPolarHBondContact CG-OD1 3.31Å; Q129-N159 PolarHBondContact N-OD1 3.42Å; L137-N159 HydrophobicContact CB-CB 3.81Å; L137-N159 HydrophobicContact CD2-CB 4.13Å; L137-N159 PolarHBondContact N-O 2.79Å; V156-N159 PolarHBondContact O-ND2 3.06Å; S157-N159 VanDerWaalsContact C-N 3.34Å; S157-N159 PolarHBondContact O-N 2.66Å; N159-L161 HydrophobicContact CB-CG 4.35Å; N159-L161 PolarHBondContact O-N 3.09Å; N159-N181 WeakPolarHBondContact CA-OD1 3.43Å; N159-N181 PolarHBondContact N-OD1 3.28Å
160	K	97.5	Very high	97.1	Very high	77 Å²	77	32.8 Å²	32.8	34%	0.335	18%	0.178	S	C	.	.			trans	56.6	22.6	175.4	-51.5	162.6	-176.2	170.8	0	114.2	L131 D132 E135 S136 D162 N181	L131-K160 PolarHBondContact O-NZ 2.93Å; D132-K160 PolarHBondContact O-NZ 3.01Å; E135-K160 WeakPolarHBondContact O-CD 3.32Å; S136-K160 WeakPolarHBondContact CB-O 3.35Å; K160-D162 PolarHBondContact O-N 3.28Å; K160-N181 PolarHBondContact N-OD1 2.82Å
161	L	97.7	Very high	96.9	Very high	4 Å²	4	35.3 Å²	35.3	2%	0.021	19%	0.188	C	C	.	.			trans	-61.6	130.2	177.7	-62.7	175.3	0	0	0	110.6	L137 F139 V156 N159 L164 N181 S182 I183	L137-L161 HydrophobicContact CB-CD2 3.96Å; L137-L161 WeakPolarHBondContact O-CD2 3.39Å; F139-L161 HydrophobicContact CE2-CD1 4.3Å; F139-L161 HydrophobicContact CE2-CD2 3.7Å; F139-L161 HydrophobicContact CZ-CD1 4.17Å; F139-L161 HydrophobicContact CZ-CD2 4.17Å; V156-L161 HydrophobicContact CB-CD1 4.06Å; V156-L161 HydrophobicContact CG2-CD1 3.74Å; N159-L161 HydrophobicContact CB-CG 4.35Å; N159-L161 PolarHBondContact O-N 3.09Å; L161-L164 HydrophobicContact CD1-CD2 4.23Å; L161-N181 HydrophobicContact CB-CB 4.03Å; L161-N181 PolarHBondContact N-OD1 2.93Å; L161-N181 WeakPolarHBondContact O-CB 3.26Å; L161-S182 CarbonylContact O-C 3.45Å; L161-S182 VanDerWaalsContact O-C 3.25Å; L161-S182 VanDerWaalsContact O-CA 3.26Å; L161-S182 WeakPolarHBondContact O-CA 3.24Å; L161-S182 WeakPolarHBondContact O-CB 3.45Å; L161-S182 PolarHBondContact O-N 3.18Å; L161-I183 WeakPolarHBondContact O-CG1 3.26Å; L161-I183 PolarHBondContact O-N 3.31Å; L161-I183 VanDerWaalsContact O-N 3.14Å
162	D	96.1	Very high	96.8	Very high	102 Å²	102	36 Å²	36	55%	0.545	19%	0.194	S	C	.	.	S	Bend	trans	-99.4	-19.9	174.8	60.1	-8	0	0	0	112.8	K160	K160-D162 PolarHBondContact O-N 3.28Å
163	T	95.8	Very high	96.8	Very high	38 Å²	38	33.1 Å²	33.1	23%	0.233	18%	0.179	C	C	.	.			trans	-134.2	161.3	176	-173.4	0	0	0	0	111.6	Q165	T163-Q165 PolarHBondContact OG1-N 2.93Å
164	L	96.7	Very high	96.8	Very high	3 Å²	3	35.1 Å²	35.1	2%	0.016	19%	0.187	C	C	.	.			trans	-118.6	12.1	173.4	-59.9	180	0	0	0	112.4	L161 D166 L167 V178 I183 L189 W196 F202	L161-L164 HydrophobicContact CD1-CD2 4.23Å; L164-D166 VanDerWaalsContact C-N 3.29Å; L164-D166 PolarHBondContact O-N 2.89Å; L164-L167 HydrophobicContact CD2-CD1 4.07Å; L164-L167 PolarHBondContact O-N 3.26Å; L164-L167 VanDerWaalsContact O-N 3.11Å; L164-V178 HydrophobicContact CD1-CB 4.41Å; L164-V178 HydrophobicContact CD1-CG1 4.02Å; L164-V178 HydrophobicContact CD1-CG2 4.13Å; L164-V178 HydrophobicContact CD2-CB 4.17Å; L164-V178 HydrophobicContact CD2-CG1 3.59Å; L164-V178 HydrophobicContact CG-CG1 4.49Å; L164-I183 HydrophobicContact CD1-CD1 3.81Å; L164-I183 HydrophobicContact CD2-CD1 3.75Å; L164-I183 HydrophobicContact CG-CD1 3.7Å; L164-I183 HydrophobicContact CG-CG1 4.42Å; L164-L189 HydrophobicContact CD1-CD1 3.85Å; L164-W196 HydrophobicContact CB-CH2 4.01Å; L164-W196 HydrophobicContact CB-CZ2 4.49Å; L164-W196 HydrophobicContact CD1-CH2 3.81Å; L164-W196 HydrophobicContact CD1-CZ3 4.41Å; L164-F202 HydrophobicContact CD1-CZ 4.31Å
165	Q	95	Very high	96.8	Very high	133 Å²	133	35.7 Å²	35.7	62%	0.621	19%	0.191	S	C	*	.	G	3₁₀ helix	trans	-59.7	-39.1	-173.5	-175.1	172.4	-1.2	0	0	112.4	T163 L167 S168	T163-Q165 PolarHBondContact OG1-N 2.93Å; Q165-L167 PolarHBondContact O-N 2.8Å; Q165-S168 WeakPolarHBondContact O-CB 3.21Å; Q165-S168 PolarHBondContact O-N 3.07Å; Q165-S168 PolarHBondContact O-OG 3.44Å
166	D	94.8	Very high	96.8	Very high	66 Å²	66	34.9 Å²	34.9	35%	0.353	19%	0.187	S	C	.	.	G	3₁₀ helix	trans	-63.2	-31.6	179.9	-53	-32.3	0	0	0	111.9	F139 L144 L164 S168	F139-D166 HydrophobicContact CB-CB 4.12Å; F139-D166 HydrophobicContact CD2-CB 3.9Å; F139-D166 HydrophobicContact CG-CB 4.3Å; L144-D166 HydrophobicContact CD1-CB 4.34Å; L144-D166 VanDerWaalsContact CD1-O 3.22Å; L144-D166 WeakPolarHBondContact CD1-O 3.47Å; L164-D166 VanDerWaalsContact C-N 3.29Å; L164-D166 PolarHBondContact O-N 2.89Å; D166-S168 PolarHBondContact O-N 2.9Å
167	L	97.3	Very high	96.8	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	19%	0.194	C	C	.	.	G	3₁₀ helix	trans	-79	-5	179.1	-55.6	-174.9	0	0	0	113.3	F139 L144 L154 V156 L164 Q165 N169 L170 L176 W196	F139-L167 HydrophobicContact CD1-CD2 3.83Å; F139-L167 HydrophobicContact CD2-CD2 4.24Å; F139-L167 HydrophobicContact CE1-CD2 3.61Å; F139-L167 HydrophobicContact CE2-CD2 4.03Å; F139-L167 HydrophobicContact CE2-CG 4.39Å; F139-L167 HydrophobicContact CG-CD2 4.15Å; F139-L167 HydrophobicContact CZ-CD1 4.42Å; F139-L167 HydrophobicContact CZ-CD2 3.72Å; F139-L167 HydrophobicContact CZ-CG 4.33Å; L144-L167 HydrophobicContact CD1-CD2 3.99Å; L144-L167 HydrophobicContact CD2-CD2 4.45Å; L154-L167 HydrophobicContact CD2-CD1 4.08Å; L154-L167 HydrophobicContact CD2-CD2 4.06Å; V156-L167 HydrophobicContact CG2-CD1 4.14Å; L164-L167 HydrophobicContact CD2-CD1 4.07Å; L164-L167 PolarHBondContact O-N 3.26Å; L164-L167 VanDerWaalsContact O-N 3.11Å; Q165-L167 PolarHBondContact O-N 2.8Å; L167-N169 PolarHBondContact O-N 2.89Å; L167-N169 VanDerWaalsContact O-N 3.15Å; L167-L170 HydrophobicContact CB-CD1 4.22Å; L167-L170 HydrophobicContact CD2-CD1 3.92Å; L167-L170 WeakPolarHBondContact O-CB 3.12Å; L167-L170 PolarHBondContact O-N 3.38Å; L167-L170 VanDerWaalsContact O-N 3.09Å; L167-L176 HydrophobicContact CD1-CD1 4.49Å; L167-W196 HydrophobicContact CB-CZ2 3.96Å; L167-W196 PolarHBondContact O-NE1 3.03Å
168	S	92.9	Very high	96.8	Very high	27 Å²	27	35.9 Å²	35.9	19%	0.189	19%	0.192	C	C	.	.	G	3₁₀ helix	trans	-63.4	-22.7	-172.1	65.2	0	0	0	0	114.2	Q165 D166 K195	Q165-S168 WeakPolarHBondContact O-CB 3.21Å; Q165-S168 PolarHBondContact O-N 3.07Å; Q165-S168 PolarHBondContact O-OG 3.44Å; D166-S168 PolarHBondContact O-N 2.9Å; S168-K195 WeakPolarHBondContact O-CB 3.27Å
169	N	93	Very high	96.8	Very high	82 Å²	82	35.4 Å²	35.4	44%	0.439	19%	0.186	S	C	.	.	G	3₁₀ helix	trans	-81.9	-10.2	178.1	-71.9	-22.2	0	0	0	114.1	N145 A148 L167 H171	N145-N169 PolarHBondContact OD1-ND2 2.95Å; A148-N169 WeakPolarHBondContact CB-O 3.43Å; L167-N169 PolarHBondContact O-N 2.89Å; L167-N169 VanDerWaalsContact O-N 3.15Å; N169-H171 PolarHBondContact O-CD2 2.97Å; N169-H171 VanDerWaalsContact O-CD2 3.26Å; N169-H171 PolarHBondContact O-N 2.83Å
170	L	97.1	Very high	96.8	Very high	1 Å²	1	39.9 Å²	39.9	1%	0.005	21%	0.21	C	C	.	.			trans	-75.8	67.1	179.6	-58	177.2	0	0	0	111.3	L144 V147 A148 L151 L154 L167 A172 L173	L144-L170 HydrophobicContact CB-CD2 4.38Å; L144-L170 HydrophobicContact CD2-CD1 4.4Å; L144-L170 HydrophobicContact CD2-CD2 4.35Å; V147-L170 HydrophobicContact CG2-CD2 4.16Å; A148-L170 HydrophobicContact CB-CD2 4.36Å; L151-L170 HydrophobicContact CD2-CD1 4.14Å; L151-L170 HydrophobicContact CD2-CD2 4.4Å; L154-L170 HydrophobicContact CD2-CD1 3.62Å; L167-L170 HydrophobicContact CB-CD1 4.22Å; L167-L170 HydrophobicContact CD2-CD1 3.92Å; L167-L170 WeakPolarHBondContact O-CB 3.12Å; L167-L170 PolarHBondContact O-N 3.38Å; L167-L170 VanDerWaalsContact O-N 3.09Å; L170-A172 VanDerWaalsContact C-N 3.25Å; L170-A172 PolarHBondContact O-N 2.89Å; L170-L173 HydrophobicContact CB-CD1 3.55Å; L170-L173 HydrophobicContact CB-CG 3.75Å; L170-L173 HydrophobicContact CD1-CD1 3.99Å; L170-L173 HydrophobicContact CG-CD1 4.45Å; L170-L173 WeakPolarHBondContact O-CB 3.08Å; L170-L173 WeakPolarHBondContact O-CG 3.49Å; L170-L173 PolarHBondContact O-N 2.65Å
171	H	93.4	Very high	96.9	Very high	74 Å²	74	36.5 Å²	36.5	34%	0.343	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.2	-17	-170.6	60.4	72.7	0	0	0	114.1	A148 N149 N169 L173 N198	A148-H171 PolarHBondContact O-CE1 2.9Å; N149-H171 PolarHBondContact OD1-CE1 3.36Å; N149-H171 PolarHBondContact OD1-NE2 2.91Å; N149-H171 VanDerWaalsContact OD1-NE2 3.1Å; N169-H171 PolarHBondContact O-CD2 2.97Å; N169-H171 VanDerWaalsContact O-CD2 3.26Å; N169-H171 PolarHBondContact O-N 2.83Å; H171-L173 VanDerWaalsContact C-N 3.32Å; H171-N198 PolarHBondContact O-ND2 3.14Å
172	A	96.9	Very high	96.8	Very high	16 Å²	16	39 Å²	39	13%	0.132	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.1	-9.3	175.8	0	0	0	0	0	113.6	A148 L151 L170 I174	A148-A172 WeakPolarHBondContact O-CB 3.25Å; A148-A172 PolarHBondContact O-N 3.48Å; L151-A172 CarbonylContact O-C 3.51Å; L151-A172 VanDerWaalsContact O-C 3.29Å; L151-A172 WeakPolarHBondContact O-CB 3.41Å; L170-A172 VanDerWaalsContact C-N 3.25Å; L170-A172 PolarHBondContact O-N 2.89Å; A172-I174 PolarHBondContact O-N 2.91Å
173	L	98.3	Very high	96.9	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	19%	0.188	C	C	.	.			trans	-57.8	131	-176.4	-74.5	175	0	0	0	112.8	L151 L154 L170 H171 L176 N198 L199	L151-L173 HydrophobicContact CD2-CD2 4.42Å; L151-L173 HydrophobicContact CG-CD2 4.31Å; L151-L173 PolarHBondContact O-N 3.13Å; L154-L173 HydrophobicContact CB-CD2 3.7Å; L170-L173 HydrophobicContact CB-CD1 3.55Å; L170-L173 HydrophobicContact CB-CG 3.75Å; L170-L173 HydrophobicContact CD1-CD1 3.99Å; L170-L173 HydrophobicContact CG-CD1 4.45Å; L170-L173 WeakPolarHBondContact O-CB 3.08Å; L170-L173 WeakPolarHBondContact O-CG 3.49Å; L170-L173 PolarHBondContact O-N 2.65Å; H171-L173 VanDerWaalsContact C-N 3.32Å; L173-L176 HydrophobicContact CD1-CD1 4.4Å; L173-L176 HydrophobicContact CD1-CD2 4.29Å; L173-N198 CarbonylContact O-C 3.52Å; L173-N198 VanDerWaalsContact O-C 3.24Å; L173-L199 HydrophobicContact CB-CD1 4.42Å; L173-L199 PolarHBondContact O-N 2.98Å
174	I	98.6	Very high	97	Very high	68 Å²	68	39.5 Å²	39.5	35%	0.349	21%	0.209	S	C	.	.	S	Bend	trans	-110.2	-39.5	173.4	-64.3	176.4	0	0	0	110	I152 A172 K200 E201	I152-I174 HydrophobicContact CB-CD1 4.27Å; I152-I174 HydrophobicContact CB-CG1 4.41Å; I152-I174 HydrophobicContact CG2-CD1 4.27Å; I152-I174 PolarHBondContact O-N 3.22Å; A172-I174 PolarHBondContact O-N 2.91Å; I174-K200 HydrophobicContact CG2-CB 4.1Å; I174-K200 HydrophobicContact CG2-CD 3.97Å; I174-K200 HydrophobicContact CG2-CG 4.23Å; I174-K200 PolarHBondContact O-N 2.8Å; I174-E201 PolarHBondContact O-N 2.9Å
175	S	98.7	Very high	96.9	Very high	18 Å²	18	41.3 Å²	41.3	13%	0.126	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	128.6	178.3	-172	0	0	0	0	110.3	I152 C153 L154 E201	I152-S175 PolarHBondContact O-N 2.81Å; C153-S175 WeakPolarHBondContact CA-O 3.48Å; L154-S175 PolarHBondContact N-O 3.25Å; S175-E201 WeakPolarHBondContact CA-O 3.48Å; S175-E201 WeakPolarHBondContact CB-OE2 3.45Å; S175-E201 VanDerWaalsContact OG-CD 3.29Å; S175-E201 PolarHBondContact OG-OE2 3Å
176	L	98.8	Very high	96.9	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	120.2	179.1	175.6	61	0	0	0	110.6	L154 L167 L173 V178 W196 L199 E201 F202 H203	L154-L176 HydrophobicContact CB-CD1 3.95Å; L154-L176 HydrophobicContact CD2-CD1 3.95Å; L154-L176 HydrophobicContact CG-CD1 3.97Å; L154-L176 WeakPolarHBondContact O-CA 3.42Å; L167-L176 HydrophobicContact CD1-CD1 4.49Å; L173-L176 HydrophobicContact CD1-CD1 4.4Å; L173-L176 HydrophobicContact CD1-CD2 4.29Å; L176-V178 HydrophobicContact CD1-CG1 3.82Å; L176-V178 HydrophobicContact CD2-CG1 4.13Å; L176-V178 HydrophobicContact CG-CG1 3.83Å; L176-W196 HydrophobicContact CD2-CD2 4.35Å; L176-W196 HydrophobicContact CD2-CE3 4.01Å; L176-W196 HydrophobicContact CD2-CH2 3.45Å; L176-W196 VanDerWaalsContact CD2-CH2 3.45Å; L176-W196 HydrophobicContact CD2-CZ2 3.83Å; L176-W196 HydrophobicContact CD2-CZ3 3.54Å; L176-L199 HydrophobicContact CB-CD1 3.75Å; L176-E201 PolarHBondContact N-O 2.9Å; L176-F202 HydrophobicContact CB-CD2 4.07Å; L176-F202 HydrophobicContact CB-CE2 4.46Å; L176-F202 HydrophobicContact CD2-CD2 4.17Å; L176-F202 HydrophobicContact CD2-CE2 3.78Å; L176-F202 HydrophobicContact CG-CD2 4.13Å; L176-F202 HydrophobicContact CG-CE2 4.02Å; L176-F202 WeakPolarHBondContact O-CA 3.41Å; L176-F202 WeakPolarHBondContact O-CD2 3.26Å; L176-H203 PolarHBondContact O-N 3.14Å
177	N	98.8	Very high	96.9	Very high	28 Å²	28	40.5 Å²	40.5	15%	0.15	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108	114.8	172.7	-176.1	7.1	0	0	0	110.8	L154 D155 V156 S157 S179 H203	L154-N177 PolarHBondContact O-N 2.98Å; D155-N177 HydrophobicContact CB-CB 4.26Å; D155-N177 VanDerWaalsContact CG-ND2 3.34Å; D155-N177 PolarHBondContact OD1-ND2 2.98Å; D155-N177 PolarHBondContact OD2-ND2 3.11Å; V156-N177 PolarHBondContact N-O 3.05Å; S157-N177 PolarHBondContact N-O 2.96Å; N177-S179 VanDerWaalsContact OD1-CB 3.29Å; N177-S179 WeakPolarHBondContact OD1-CB 3.39Å; N177-S179 PolarHBondContact OD1-N 3.2Å; N177-S179 PolarHBondContact OD1-OG 3Å; N177-H203 HydrophobicContact CB-CB 4.17Å; N177-H203 WeakPolarHBondContact OD1-CB 3.41Å
178	V	98.7	Very high	96.8	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	24%	0.235	C	C	.	.			trans	-122.9	19.4	177.3	-63.8	0	0	0	0	110.9	V156 L164 L176 N181 I183 F202 H203 I204 N207	V156-V178 HydrophobicContact CG2-CG1 3.74Å; L164-V178 HydrophobicContact CD1-CB 4.41Å; L164-V178 HydrophobicContact CD1-CG1 4.02Å; L164-V178 HydrophobicContact CD1-CG2 4.13Å; L164-V178 HydrophobicContact CD2-CB 4.17Å; L164-V178 HydrophobicContact CD2-CG1 3.59Å; L164-V178 HydrophobicContact CG-CG1 4.49Å; L176-V178 HydrophobicContact CD1-CG1 3.82Å; L176-V178 HydrophobicContact CD2-CG1 4.13Å; L176-V178 HydrophobicContact CG-CG1 3.83Å; V178-N181 PolarHBondContact O-ND2 3.05Å; V178-I183 HydrophobicContact CB-CD1 4.15Å; V178-I183 HydrophobicContact CG2-CD1 4.11Å; V178-F202 HydrophobicContact CG2-CE2 3.57Å; V178-F202 HydrophobicContact CG2-CZ 3.65Å; V178-H203 CarbonylContact C-O 3.22Å; V178-H203 WeakPolarHBondContact CG2-O 3.39Å; V178-H203 PolarHBondContact N-O 3.27Å; V178-I204 HydrophobicContact CG2-CB 4.01Å; V178-I204 HydrophobicContact CG2-CD1 4.35Å; V178-I204 HydrophobicContact CG2-CG1 4Å; V178-N207 PolarHBondContact O-ND2 3.33Å
179	S	98.6	Very high	96.9	Very high	6 Å²	6	42.6 Å²	42.6	4%	0.042	23%	0.227	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.6	155.2	-179.2	59.9	0	0	0	0	112.7	S157 G158 N177 N181 H203 Q205	S157-S179 CarbonylContact C-O 3.25Å; S157-S179 WeakPolarHBondContact CA-O 3.46Å; S157-S179 WeakPolarHBondContact CB-O 3.43Å; S157-S179 WeakPolarHBondContact CB-OG 3.43Å; G158-S179 PolarHBondContact N-O 3.15Å; N177-S179 VanDerWaalsContact OD1-CB 3.29Å; N177-S179 WeakPolarHBondContact OD1-CB 3.39Å; N177-S179 PolarHBondContact OD1-N 3.2Å; N177-S179 PolarHBondContact OD1-OG 3Å; S179-N181 VanDerWaalsContact C-N 3.26Å; S179-N181 PolarHBondContact O-N 3.36Å; S179-N181 PolarHBondContact O-ND2 2.96Å; S179-H203 PolarHBondContact N-O 3.4Å; S179-Q205 CarbonylContact C-O 3.51Å; S179-Q205 WeakPolarHBondContact CA-O 3.12Å; S179-Q205 VanDerWaalsContact CB-O 3.28Å; S179-Q205 WeakPolarHBondContact CB-O 3.28Å
180	N	98.3	Very high	97	Very high	94 Å²	94	39.7 Å²	39.7	50%	0.503	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.2	38.4	176.7	-53.4	-51.2	0	0	0	114	G158 Q205	G158-N180 VanDerWaalsContact CA-O 3.31Å; G158-N180 WeakPolarHBondContact CA-O 3.36Å; N180-Q205 PolarHBondContact N-O 2.82Å
181	N	98.4	Very high	96.9	Very high	7 Å²	7	43 Å²	43	4%	0.037	23%	0.233	C	C	.	.	S	Bend	trans	-104.8	-172.4	170.1	-80.2	-62.6	0	0	0	110.2	V156 N159 K160 L161 V178 S179 I183 N207	V156-N181 PolarHBondContact O-ND2 3.39Å; N159-N181 WeakPolarHBondContact CA-OD1 3.43Å; N159-N181 PolarHBondContact N-OD1 3.28Å; K160-N181 PolarHBondContact N-OD1 2.82Å; L161-N181 HydrophobicContact CB-CB 4.03Å; L161-N181 PolarHBondContact N-OD1 2.93Å; L161-N181 WeakPolarHBondContact O-CB 3.26Å; V178-N181 PolarHBondContact O-ND2 3.05Å; S179-N181 VanDerWaalsContact C-N 3.26Å; S179-N181 PolarHBondContact O-N 3.36Å; S179-N181 PolarHBondContact O-ND2 2.96Å; N181-I183 HydrophobicContact CB-CD1 4.34Å; N181-I183 HydrophobicContact CB-CG1 4.26Å; N181-N207 VanDerWaalsContact CA-OD1 3.24Å; N181-N207 WeakPolarHBondContact CA-OD1 3.49Å; N181-N207 WeakPolarHBondContact CB-OD1 3.11Å; N181-N207 PolarHBondContact N-OD1 3.2Å; N181-N207 PolarHBondContact O-OD1 2.98Å
182	S	97.7	Very high	97	Very high	56 Å²	56	39.7 Å²	39.7	39%	0.392	22%	0.218	S	C	.	.			trans	-102.7	18.3	-177.9	-59.3	0	0	0	0	113.3	L161 Q184 N207	L161-S182 CarbonylContact O-C 3.45Å; L161-S182 VanDerWaalsContact O-C 3.25Å; L161-S182 VanDerWaalsContact O-CA 3.26Å; L161-S182 WeakPolarHBondContact O-CA 3.24Å; L161-S182 WeakPolarHBondContact O-CB 3.45Å; L161-S182 PolarHBondContact O-N 3.18Å; S182-Q184 PolarHBondContact O-N 2.73Å; S182-N207 PolarHBondContact N-OD1 3.43Å
183	I	98	Very high	96.9	Very high	3 Å²	3	39.1 Å²	39.1	2%	0.015	21%	0.213	C	C	.	.			trans	-64.7	119.6	-173.4	-55	161.5	0	0	0	110	L161 L164 V178 N181 N207 P208 V209	L161-I183 WeakPolarHBondContact O-CG1 3.26Å; L161-I183 PolarHBondContact O-N 3.31Å; L161-I183 VanDerWaalsContact O-N 3.14Å; L164-I183 HydrophobicContact CD1-CD1 3.81Å; L164-I183 HydrophobicContact CD2-CD1 3.75Å; L164-I183 HydrophobicContact CG-CD1 3.7Å; L164-I183 HydrophobicContact CG-CG1 4.42Å; V178-I183 HydrophobicContact CB-CD1 4.15Å; V178-I183 HydrophobicContact CG2-CD1 4.11Å; N181-I183 HydrophobicContact CB-CD1 4.34Å; N181-I183 HydrophobicContact CB-CG1 4.26Å; I183-N207 HydrophobicContact CB-CB 4.15Å; I183-N207 VanDerWaalsContact CB-OD1 3.32Å; I183-N207 WeakPolarHBondContact CB-OD1 3.16Å; I183-N207 WeakPolarHBondContact CD1-OD1 3.29Å; I183-N207 VanDerWaalsContact CG1-OD1 3.3Å; I183-N207 WeakPolarHBondContact CG1-OD1 3.43Å; I183-N207 PolarHBondContact N-OD1 3.15Å; I183-P208 VanDerWaalsContact O-CD 3.28Å; I183-P208 WeakPolarHBondContact O-CD 3.37Å; I183-V209 HydrophobicContact CG2-CG1 4.27Å; I183-V209 WeakPolarHBondContact O-CB 3.3Å; I183-V209 PolarHBondContact O-N 3.04Å
184	Q	96.4	Very high	96.7	Very high	147 Å²	147	44.1 Å²	44.1	69%	0.687	24%	0.24	S	C	*	.			trans	-114.3	-38.3	-174.8	-171	175.3	19.5	0	0	113.4	S182 I186 P208	S182-Q184 PolarHBondContact O-N 2.73Å; Q184-I186 PolarHBondContact O-N 3.23Å; Q184-P208 HydrophobicContact CB-CB 4.3Å; Q184-P208 HydrophobicContact CG-CB 4.28Å
185	S	95.8	Very high	96.5	Very high	42 Å²	42	47 Å²	47	29%	0.294	25%	0.25	S	C	.	.			trans	-81.3	113.8	-173.4	179.9	0	0	0	0	111.6	H187 D188 L189	S185-H187 VanDerWaalsContact C-N 3.25Å; S185-H187 PolarHBondContact O-N 3.39Å; S185-D188 WeakPolarHBondContact CB-OD2 3.38Å; S185-D188 PolarHBondContact OG-N 2.99Å; S185-D188 PolarHBondContact OG-OD2 2.85Å; S185-L189 WeakPolarHBondContact O-CB 3.32Å; S185-L189 PolarHBondContact O-N 2.85Å
186	I	95.3	Very high	96.4	Very high	54 Å²	54	46.5 Å²	46.5	28%	0.277	25%	0.245	S	C	.	.	H	α-helix	trans	-65.8	-31.1	173	-170.9	57.8	0	0	0	111.8	Q184 L189 S190 V209 V218	Q184-I186 PolarHBondContact O-N 3.23Å; I186-L189 HydrophobicContact CD1-CD2 4.08Å; I186-S190 WeakPolarHBondContact O-CB 3.42Å; I186-S190 PolarHBondContact O-N 3.23Å; I186-S190 PolarHBondContact O-OG 2.8Å; I186-S190 VanDerWaalsContact O-OG 3.14Å; I186-V209 HydrophobicContact CB-CG2 3.89Å; I186-V209 HydrophobicContact CD1-CG2 3.81Å; I186-V209 HydrophobicContact CG1-CG2 4.42Å; I186-V218 HydrophobicContact CD1-CB 4.16Å; I186-V218 HydrophobicContact CD1-CG1 3.86Å; I186-V218 HydrophobicContact CG1-CB 4.36Å; I186-V218 HydrophobicContact CG1-CG1 3.9Å
187	H	93.8	Very high	96.2	Very high	128 Å²	128	49.7 Å²	49.7	59%	0.593	27%	0.268	S	S	*	.	H	α-helix	trans	-67.5	-45.5	-180	176.5	-85.8	0	0	0	111.7	S185 S190 T191	S185-H187 VanDerWaalsContact C-N 3.25Å; S185-H187 PolarHBondContact O-N 3.39Å; H187-S190 PolarHBondContact O-N 3.38Å; H187-T191 PolarHBondContact O-N 3.03Å; H187-T191 PolarHBondContact O-OG1 3.27Å
188	D	94.4	Very high	96	Very high	69 Å²	69	51 Å²	51	37%	0.369	28%	0.275	S	S	.	.	H	α-helix	trans	-72.9	-36.2	-177.9	-53.8	-29.9	0	0	0	110.7	S185 T191 S192	S185-D188 WeakPolarHBondContact CB-OD2 3.38Å; S185-D188 PolarHBondContact OG-N 2.99Å; S185-D188 PolarHBondContact OG-OD2 2.85Å; D188-T191 PolarHBondContact O-N 2.69Å; D188-S192 PolarHBondContact O-N 2.87Å; D188-S192 PolarHBondContact O-OG 2.74Å
189	L	96.2	Very high	96	Very high	2 Å²	2	51.1 Å²	51.1	1%	0.01	28%	0.275	C	S	.	.	H	α-helix	trans	-58.2	-50.9	168.7	175.4	61.7	0	0	0	111.2	L164 S185 I186 T191 S192 L193 F202 I204 V209 I219	L164-L189 HydrophobicContact CD1-CD1 3.85Å; S185-L189 WeakPolarHBondContact O-CB 3.32Å; S185-L189 PolarHBondContact O-N 2.85Å; I186-L189 HydrophobicContact CD1-CD2 4.08Å; L189-T191 VanDerWaalsContact C-N 3.28Å; L189-T191 PolarHBondContact O-N 3.17Å; L189-S192 PolarHBondContact O-N 3.44Å; L189-L193 HydrophobicContact CD1-CD1 3.92Å; L189-L193 HydrophobicContact CD1-CG 3.98Å; L189-L193 HydrophobicContact CD2-CD1 4.41Å; L189-L193 HydrophobicContact CG-CD1 3.76Å; L189-L193 HydrophobicContact CG-CG 4.28Å; L189-L193 WeakPolarHBondContact O-CB 3.44Å; L189-L193 WeakPolarHBondContact O-CG 3.18Å; L189-L193 PolarHBondContact O-N 2.9Å; L189-F202 HydrophobicContact CD1-CE1 4.23Å; L189-F202 HydrophobicContact CD1-CZ 3.92Å; L189-I204 HydrophobicContact CD1-CD1 3.78Å; L189-I204 HydrophobicContact CD2-CD1 3.41Å; L189-I204 VanDerWaalsContact CD2-CD1 3.41Å; L189-I204 HydrophobicContact CG-CD1 4.26Å; L189-V209 HydrophobicContact CD2-CG1 4.15Å; L189-V209 HydrophobicContact CD2-CG2 4.13Å; L189-I219 HydrophobicContact CD2-CD1 3.96Å; L189-I219 HydrophobicContact CD2-CG1 3.94Å
190	S	94.7	Very high	96	Very high	21 Å²	21	54.9 Å²	54.9	15%	0.147	29%	0.291	C	S	.	.	H	α-helix	trans	-60.5	-38.1	178	-76.2	0	0	0	0	112.4	I186 H187 S192 L193 N194 V218 T222	I186-S190 WeakPolarHBondContact O-CB 3.42Å; I186-S190 PolarHBondContact O-N 3.23Å; I186-S190 PolarHBondContact O-OG 2.8Å; I186-S190 VanDerWaalsContact O-OG 3.14Å; H187-S190 PolarHBondContact O-N 3.38Å; S190-S192 VanDerWaalsContact C-N 3.32Å; S190-S192 PolarHBondContact O-N 2.99Å; S190-L193 PolarHBondContact O-N 3.33Å; S190-N194 PolarHBondContact O-N 2.82Å; S190-N194 VanDerWaalsContact O-N 3.15Å; S190-N194 PolarHBondContact O-ND2 2.69Å; S190-V218 WeakPolarHBondContact OG-CG1 3.01Å; S190-T222 WeakPolarHBondContact O-CG2 3.29Å
191	T	95	Very high	96	Very high	71 Å²	71	53.4 Å²	53.4	44%	0.436	28%	0.281	S	S	.	.	H	α-helix	trans	-61.5	-42.9	176.4	-59.8	0	0	0	0	111.3	H187 D188 L189	H187-T191 PolarHBondContact O-N 3.03Å; H187-T191 PolarHBondContact O-OG1 3.27Å; D188-T191 PolarHBondContact O-N 2.69Å; L189-T191 VanDerWaalsContact C-N 3.28Å; L189-T191 PolarHBondContact O-N 3.17Å
192	S	95.2	Very high	96	Very high	4 Å²	4	53.1 Å²	53.1	3%	0.028	28%	0.279	C	S	.	.	H	α-helix	trans	-69.8	-46.7	177.7	-53	0	0	0	0	111.9	D188 L189 S190 N194 K195	D188-S192 PolarHBondContact O-N 2.87Å; D188-S192 PolarHBondContact O-OG 2.74Å; L189-S192 PolarHBondContact O-N 3.44Å; S190-S192 VanDerWaalsContact C-N 3.32Å; S190-S192 PolarHBondContact O-N 2.99Å; S192-N194 PolarHBondContact O-N 3.01Å; S192-K195 WeakPolarHBondContact O-CB 3.38Å; S192-K195 PolarHBondContact O-N 2.75Å
193	L	96.3	Very high	96.1	Very high	3 Å²	3	51.2 Å²	51.2	2%	0.016	26%	0.264	C	S	.	.	H	α-helix	trans	-57.8	-33.9	179.2	-74.4	169.4	0	0	0	113.1	L189 S190 K195 W196 L199 F202 I219 T222 A223	L189-L193 HydrophobicContact CD1-CD1 3.92Å; L189-L193 HydrophobicContact CD1-CG 3.98Å; L189-L193 HydrophobicContact CD2-CD1 4.41Å; L189-L193 HydrophobicContact CG-CD1 3.76Å; L189-L193 HydrophobicContact CG-CG 4.28Å; L189-L193 WeakPolarHBondContact O-CB 3.44Å; L189-L193 WeakPolarHBondContact O-CG 3.18Å; L189-L193 PolarHBondContact O-N 2.9Å; S190-L193 PolarHBondContact O-N 3.33Å; L193-K195 PolarHBondContact O-N 2.91Å; L193-W196 HydrophobicContact CD2-CE3 3.84Å; L193-W196 HydrophobicContact CD2-CZ3 3.74Å; L193-W196 HydrophobicContact CG-CE3 4.47Å; L193-W196 HydrophobicContact CG-CZ3 4.22Å; L193-W196 PolarHBondContact O-N 3.37Å; L193-L199 HydrophobicContact CD2-CD2 4.11Å; L193-F202 HydrophobicContact CD2-CD1 4.16Å; L193-F202 HydrophobicContact CD2-CE1 3.9Å; L193-F202 HydrophobicContact CD2-CE2 4.43Å; L193-F202 HydrophobicContact CD2-CZ 4.05Å; L193-I219 HydrophobicContact CD1-CB 4.28Å; L193-I219 HydrophobicContact CD1-CG1 4.04Å; L193-I219 HydrophobicContact CD1-CG2 4.02Å; L193-T222 HydrophobicContact CB-CG2 3.77Å; L193-A223 HydrophobicContact CD2-CB 4.27Å
194	N	93.5	Very high	96.1	Very high	106 Å²	106	51 Å²	51	57%	0.567	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.3	-17.5	177	-81.3	-41.3	0	0	0	113.8	S190 S192 T222	S190-N194 PolarHBondContact O-N 2.82Å; S190-N194 VanDerWaalsContact O-N 3.15Å; S190-N194 PolarHBondContact O-ND2 2.69Å; S192-N194 PolarHBondContact O-N 3.01Å; N194-T222 VanDerWaalsContact OD1-CG2 3.26Å; N194-T222 WeakPolarHBondContact OD1-CG2 3.4Å
195	K	94.1	Very high	96.1	Very high	129 Å²	129	48.5 Å²	48.5	56%	0.561	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.6	-30.5	-179.6	-59.5	-63.3	-172.8	173.8	0	112.9	S168 S192 L193 S197	S168-K195 WeakPolarHBondContact O-CB 3.27Å; S192-K195 WeakPolarHBondContact O-CB 3.38Å; S192-K195 PolarHBondContact O-N 2.75Å; L193-K195 PolarHBondContact O-N 2.91Å; K195-S197 VanDerWaalsContact C-N 3.33Å; K195-S197 PolarHBondContact O-N 3.31Å
196	W	96.1	Very high	96.2	Very high	6 Å²	6	49.2 Å²	49.2	2%	0.023	27%	0.265	C	S	.	.			trans	-83.8	72.9	-177.2	-52.3	-46.2	0	0	0	112.1	L164 L167 L176 L193 N198 L199 F202	L164-W196 HydrophobicContact CB-CH2 4.01Å; L164-W196 HydrophobicContact CB-CZ2 4.49Å; L164-W196 HydrophobicContact CD1-CH2 3.81Å; L164-W196 HydrophobicContact CD1-CZ3 4.41Å; L167-W196 HydrophobicContact CB-CZ2 3.96Å; L167-W196 PolarHBondContact O-NE1 3.03Å; L176-W196 HydrophobicContact CD2-CD2 4.35Å; L176-W196 HydrophobicContact CD2-CE3 4.01Å; L176-W196 HydrophobicContact CD2-CH2 3.45Å; L176-W196 VanDerWaalsContact CD2-CH2 3.45Å; L176-W196 HydrophobicContact CD2-CZ2 3.83Å; L176-W196 HydrophobicContact CD2-CZ3 3.54Å; L193-W196 HydrophobicContact CD2-CE3 3.84Å; L193-W196 HydrophobicContact CD2-CZ3 3.74Å; L193-W196 HydrophobicContact CG-CE3 4.47Å; L193-W196 HydrophobicContact CG-CZ3 4.22Å; L193-W196 PolarHBondContact O-N 3.37Å; W196-N198 PolarHBondContact O-N 3.49Å; W196-L199 HydrophobicContact CB-CB 3.87Å; W196-L199 HydrophobicContact CB-CD2 4.43Å; W196-L199 HydrophobicContact CE3-CD2 3.83Å; W196-L199 WeakPolarHBondContact O-CB 3.34Å; W196-L199 PolarHBondContact O-N 3.04Å; W196-L199 VanDerWaalsContact O-N 3.14Å; W196-F202 HydrophobicContact CZ3-CE2 4.22Å
197	S	93.9	Very high	96.4	Very high	68 Å²	68	46.8 Å²	46.8	48%	0.476	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.4	-14.4	-174.8	58	0	0	0	0	115.3	K195 R225	K195-S197 VanDerWaalsContact C-N 3.33Å; K195-S197 PolarHBondContact O-N 3.31Å; S197-R225 WeakPolarHBondContact O-CD 3.47Å; S197-R225 PolarHBondContact O-NE 3.41Å; S197-R225 PolarHBondContact O-NH1 3.31Å
198	N	96.5	Very high	96.6	Very high	56 Å²	56	43 Å²	43	30%	0.299	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	-107.2	0.1	-179.1	-60.9	-49.3	0	0	0	113.3	H171 L173 W196 K200 R225	H171-N198 PolarHBondContact O-ND2 3.14Å; L173-N198 CarbonylContact O-C 3.52Å; L173-N198 VanDerWaalsContact O-C 3.24Å; W196-N198 PolarHBondContact O-N 3.49Å; N198-K200 PolarHBondContact O-N 3.18Å; N198-R225 PolarHBondContact OD1-NH1 2.87Å
199	L	98.1	Very high	96.7	Very high	2 Å²	2	39.7 Å²	39.7	1%	0.01	22%	0.222	C	C	.	.			trans	-66.6	121.5	-174.8	-168	71.6	0	0	0	111	L173 L176 L193 W196 E201 F202 R225 L226	L173-L199 HydrophobicContact CB-CD1 4.42Å; L173-L199 PolarHBondContact O-N 2.98Å; L176-L199 HydrophobicContact CB-CD1 3.75Å; L193-L199 HydrophobicContact CD2-CD2 4.11Å; W196-L199 HydrophobicContact CB-CB 3.87Å; W196-L199 HydrophobicContact CB-CD2 4.43Å; W196-L199 HydrophobicContact CE3-CD2 3.83Å; W196-L199 WeakPolarHBondContact O-CB 3.34Å; W196-L199 PolarHBondContact O-N 3.04Å; W196-L199 VanDerWaalsContact O-N 3.14Å; L199-E201 WeakPolarHBondContact CD1-O 3.34Å; L199-F202 HydrophobicContact CD2-CB 4.02Å; L199-F202 HydrophobicContact CD2-CD2 3.94Å; L199-F202 HydrophobicContact CD2-CG 4.1Å; L199-R225 CarbonylContact O-C 3.36Å; L199-R225 VanDerWaalsContact O-C 3.22Å; L199-L226 HydrophobicContact CD2-CD1 4.37Å; L199-L226 HydrophobicContact CG-CD1 4.27Å; L199-L226 PolarHBondContact O-N 3.48Å
200	K	98.1	Very high	96.8	Very high	85 Å²	85	42 Å²	42	37%	0.37	23%	0.233	S	C	.	.			trans	-111.9	-32.6	179.4	-69.2	-179.9	173.1	-122.8	0	112.4	I174 N198 L226 E227 I228	I174-K200 HydrophobicContact CG2-CB 4.1Å; I174-K200 HydrophobicContact CG2-CD 3.97Å; I174-K200 HydrophobicContact CG2-CG 4.23Å; I174-K200 PolarHBondContact O-N 2.8Å; N198-K200 PolarHBondContact O-N 3.18Å; K200-L226 WeakPolarHBondContact O-CD1 3.3Å; K200-E227 HydrophobicContact CB-CG 4.46Å; K200-E227 WeakPolarHBondContact CD-OE1 3.49Å; K200-E227 WeakPolarHBondContact CE-OE1 3.44Å; K200-E227 IonicContact NZ-OE1 2.81Å; K200-E227 PolarHBondContact NZ-OE1 3.15Å; K200-E227 IonicContact NZ-OE2 2.8Å; K200-E227 WeakPolarHBondContact O-CA 3.47Å; K200-E227 PolarHBondContact O-N 3.03Å; K200-I228 PolarHBondContact O-N 3.04Å
201	E	98.5	Very high	96.8	Very high	63 Å²	63	50.3 Å²	50.3	29%	0.294	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	126.1	-177.8	-177.9	-178	-166.9	0	0	109.7	I174 S175 L176 L199 H203 I228	I174-E201 PolarHBondContact O-N 2.9Å; S175-E201 WeakPolarHBondContact CA-O 3.48Å; S175-E201 WeakPolarHBondContact CB-OE2 3.45Å; S175-E201 VanDerWaalsContact OG-CD 3.29Å; S175-E201 PolarHBondContact OG-OE2 3Å; L176-E201 PolarHBondContact N-O 2.9Å; L199-E201 WeakPolarHBondContact CD1-O 3.34Å; E201-H203 VanDerWaalsContact CG-NE2 3.34Å; E201-H203 WeakPolarHBondContact CG-NE2 3.46Å; E201-H203 IonicContact OE1-CD2 3.24Å; E201-H203 IonicContact OE1-CE1 3.17Å; E201-H203 IonicContact OE1-NE2 3.79Å; E201-H203 PolarHBondContact OE1-NE2 2.74Å; E201-I228 HydrophobicContact CB-CB 4.48Å; E201-I228 HydrophobicContact CG-CB 4.24Å; E201-I228 HydrophobicContact CG-CG2 4.35Å
202	F	98.7	Very high	96.7	Very high	0 Å²	0	49.8 Å²	49.8	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	128	-178.6	-170.8	-126.2	0	0	0	110.9	L164 L176 V178 L189 L193 W196 L199 I204 I219 L226 I228 L229 D230	L164-F202 HydrophobicContact CD1-CZ 4.31Å; L176-F202 HydrophobicContact CB-CD2 4.07Å; L176-F202 HydrophobicContact CB-CE2 4.46Å; L176-F202 HydrophobicContact CD2-CD2 4.17Å; L176-F202 HydrophobicContact CD2-CE2 3.78Å; L176-F202 HydrophobicContact CG-CD2 4.13Å; L176-F202 HydrophobicContact CG-CE2 4.02Å; L176-F202 WeakPolarHBondContact O-CA 3.41Å; L176-F202 WeakPolarHBondContact O-CD2 3.26Å; V178-F202 HydrophobicContact CG2-CE2 3.57Å; V178-F202 HydrophobicContact CG2-CZ 3.65Å; L189-F202 HydrophobicContact CD1-CE1 4.23Å; L189-F202 HydrophobicContact CD1-CZ 3.92Å; L193-F202 HydrophobicContact CD2-CD1 4.16Å; L193-F202 HydrophobicContact CD2-CE1 3.9Å; L193-F202 HydrophobicContact CD2-CE2 4.43Å; L193-F202 HydrophobicContact CD2-CZ 4.05Å; W196-F202 HydrophobicContact CZ3-CE2 4.22Å; L199-F202 HydrophobicContact CD2-CB 4.02Å; L199-F202 HydrophobicContact CD2-CD2 3.94Å; L199-F202 HydrophobicContact CD2-CG 4.1Å; F202-I204 HydrophobicContact CD1-CB 4.33Å; F202-I204 HydrophobicContact CD1-CG2 4.28Å; F202-I204 HydrophobicContact CE1-CB 3.76Å; F202-I204 HydrophobicContact CE1-CD1 3.71Å; F202-I204 HydrophobicContact CE1-CG1 4.3Å; F202-I204 HydrophobicContact CE1-CG2 3.98Å; F202-I204 HydrophobicContact CZ-CB 4.08Å; F202-I204 HydrophobicContact CZ-CD1 3.8Å; F202-I204 HydrophobicContact CZ-CG1 4.39Å; F202-I219 HydrophobicContact CD1-CG2 3.93Å; F202-I219 HydrophobicContact CE1-CG2 4.23Å; F202-L226 HydrophobicContact CB-CD1 3.45Å; F202-L226 VanDerWaalsContact CB-CD1 3.45Å; F202-L226 HydrophobicContact CB-CD2 4.26Å; F202-L226 HydrophobicContact CB-CG 4.49Å; F202-I228 PolarHBondContact N-O 2.83Å; F202-L229 HydrophobicContact CB-CD1 4.35Å; F202-L229 HydrophobicContact CD1-CD1 3.84Å; F202-L229 WeakPolarHBondContact O-CA 3.49Å; F202-L229 WeakPolarHBondContact O-CD1 3.38Å; F202-D230 PolarHBondContact O-N 3.29Å
203	H	98.7	Very high	96.4	Very high	16 Å²	16	54 Å²	54	7%	0.074	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	119.7	178.1	-57.9	-78.4	0	0	0	109.6	L176 N177 V178 S179 E201 D231	L176-H203 PolarHBondContact O-N 3.14Å; N177-H203 HydrophobicContact CB-CB 4.17Å; N177-H203 WeakPolarHBondContact OD1-CB 3.41Å; V178-H203 CarbonylContact C-O 3.22Å; V178-H203 WeakPolarHBondContact CG2-O 3.39Å; V178-H203 PolarHBondContact N-O 3.27Å; S179-H203 PolarHBondContact N-O 3.4Å; E201-H203 VanDerWaalsContact CG-NE2 3.34Å; E201-H203 WeakPolarHBondContact CG-NE2 3.46Å; E201-H203 IonicContact OE1-CD2 3.24Å; E201-H203 IonicContact OE1-CE1 3.17Å; E201-H203 IonicContact OE1-NE2 3.79Å; E201-H203 PolarHBondContact OE1-NE2 2.74Å; H203-D231 IonicContact CE1-OD1 3.91Å; H203-D231 PolarHBondContact CE1-OD1 2.97Å; H203-D231 IonicContact ND1-OD1 3.6Å
204	I	98.5	Very high	96.1	Very high	0 Å²	0	58.8 Å²	58.8	0%	0	32%	0.317	C	S	.	.			trans	-136.2	2.3	-174.3	-169.5	162.7	0	0	0	112.8	V178 L189 F202 N207 V209 M210 I219 L229 D230	V178-I204 HydrophobicContact CG2-CB 4.01Å; V178-I204 HydrophobicContact CG2-CD1 4.35Å; V178-I204 HydrophobicContact CG2-CG1 4Å; L189-I204 HydrophobicContact CD1-CD1 3.78Å; L189-I204 HydrophobicContact CD2-CD1 3.41Å; L189-I204 VanDerWaalsContact CD2-CD1 3.41Å; L189-I204 HydrophobicContact CG-CD1 4.26Å; F202-I204 HydrophobicContact CD1-CB 4.33Å; F202-I204 HydrophobicContact CD1-CG2 4.28Å; F202-I204 HydrophobicContact CE1-CB 3.76Å; F202-I204 HydrophobicContact CE1-CD1 3.71Å; F202-I204 HydrophobicContact CE1-CG1 4.3Å; F202-I204 HydrophobicContact CE1-CG2 3.98Å; F202-I204 HydrophobicContact CZ-CB 4.08Å; F202-I204 HydrophobicContact CZ-CD1 3.8Å; F202-I204 HydrophobicContact CZ-CG1 4.39Å; I204-N207 HydrophobicContact CG1-CB 4.11Å; I204-N207 WeakPolarHBondContact O-CB 3.28Å; I204-N207 PolarHBondContact O-N 3.36Å; I204-N207 PolarHBondContact O-ND2 3.4Å; I204-V209 HydrophobicContact CD1-CG1 3.87Å; I204-V209 HydrophobicContact CG1-CG1 4.29Å; I204-M210 HydrophobicContact CG1-CG 4.35Å; I204-M210 HydrophobicContact CG2-CE 4.15Å; I204-M210 HydrophobicContact CG2-CG 3.97Å; I204-M210 HydrophobicContact CG2-SD 3.59Å; I204-M210 VanDerWaalsContact CG2-SD 3.59Å; I204-I219 HydrophobicContact CD1-CD1 4.43Å; I204-I219 HydrophobicContact CG2-CD1 4.02Å; I204-L229 HydrophobicContact CG2-CD1 3.99Å; I204-D230 PolarHBondContact N-OD1 3.39Å
205	Q	97.4	Very high	96.1	Very high	94 Å²	94	53.9 Å²	53.9	44%	0.439	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	-46.9	148.9	173.8	65.9	175.9	-9.7	0	0	112.9	S179 N180 N207 D230	S179-Q205 CarbonylContact C-O 3.51Å; S179-Q205 WeakPolarHBondContact CA-O 3.12Å; S179-Q205 VanDerWaalsContact CB-O 3.28Å; S179-Q205 WeakPolarHBondContact CB-O 3.28Å; N180-Q205 PolarHBondContact N-O 2.82Å; Q205-N207 VanDerWaalsContact C-N 3.26Å; Q205-N207 PolarHBondContact O-N 3.35Å; Q205-D230 PolarHBondContact N-OD1 3.03Å
206	G	97.5	Very high	96.2	Very high	56 Å²	56	51 Å²	51	58%	0.577	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	82.4	-9.2	-179.4	0	0	0	0	0	115.3
207	N	98.5	Very high	96.1	Very high	3 Å²	3	52.6 Å²	52.6	2%	0.016	29%	0.285	C	S	.	.	S	Bend	trans	-82.9	143.1	174.8	-73.6	-86.4	0	0	0	112.6	V178 N181 S182 I183 I204 Q205 V209 M210	V178-N207 PolarHBondContact O-ND2 3.33Å; N181-N207 VanDerWaalsContact CA-OD1 3.24Å; N181-N207 WeakPolarHBondContact CA-OD1 3.49Å; N181-N207 WeakPolarHBondContact CB-OD1 3.11Å; N181-N207 PolarHBondContact N-OD1 3.2Å; N181-N207 PolarHBondContact O-OD1 2.98Å; S182-N207 PolarHBondContact N-OD1 3.43Å; I183-N207 HydrophobicContact CB-CB 4.15Å; I183-N207 VanDerWaalsContact CB-OD1 3.32Å; I183-N207 WeakPolarHBondContact CB-OD1 3.16Å; I183-N207 WeakPolarHBondContact CD1-OD1 3.29Å; I183-N207 VanDerWaalsContact CG1-OD1 3.3Å; I183-N207 WeakPolarHBondContact CG1-OD1 3.43Å; I183-N207 PolarHBondContact N-OD1 3.15Å; I204-N207 HydrophobicContact CG1-CB 4.11Å; I204-N207 WeakPolarHBondContact O-CB 3.28Å; I204-N207 PolarHBondContact O-N 3.36Å; I204-N207 PolarHBondContact O-ND2 3.4Å; Q205-N207 VanDerWaalsContact C-N 3.26Å; Q205-N207 PolarHBondContact O-N 3.35Å; N207-V209 HydrophobicContact CB-CG1 3.94Å; N207-V209 PolarHBondContact O-N 3.17Å; N207-M210 PolarHBondContact O-N 2.86Å
208	P	98.2	Very high	96.1	Very high	48 Å²	48	51.3 Å²	51.3	31%	0.312	28%	0.275	S	S	.	.	G	3₁₀ helix	trans	-52.3	-35.5	176.1	-28.3	34	0	0	0	114.9	I183 Q184 M210 K211	I183-P208 VanDerWaalsContact O-CD 3.28Å; I183-P208 WeakPolarHBondContact O-CD 3.37Å; Q184-P208 HydrophobicContact CB-CB 4.3Å; Q184-P208 HydrophobicContact CG-CB 4.28Å; P208-M210 PolarHBondContact O-N 2.78Å; P208-M210 VanDerWaalsContact O-N 3.15Å; P208-K211 WeakPolarHBondContact O-CB 3.33Å; P208-K211 PolarHBondContact O-N 3.06Å
209	V	97.5	Very high	96.1	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	26%	0.26	C	S	.	.	G	3₁₀ helix	trans	-54.8	-33	178	68.8	0	0	0	0	112.3	I183 I186 L189 I204 N207 K211 T212 A215	I183-V209 HydrophobicContact CG2-CG1 4.27Å; I183-V209 WeakPolarHBondContact O-CB 3.3Å; I183-V209 PolarHBondContact O-N 3.04Å; I186-V209 HydrophobicContact CB-CG2 3.89Å; I186-V209 HydrophobicContact CD1-CG2 3.81Å; I186-V209 HydrophobicContact CG1-CG2 4.42Å; L189-V209 HydrophobicContact CD2-CG1 4.15Å; L189-V209 HydrophobicContact CD2-CG2 4.13Å; I204-V209 HydrophobicContact CD1-CG1 3.87Å; I204-V209 HydrophobicContact CG1-CG1 4.29Å; N207-V209 HydrophobicContact CB-CG1 3.94Å; N207-V209 PolarHBondContact O-N 3.17Å; V209-K211 PolarHBondContact O-N 3.17Å; V209-T212 WeakPolarHBondContact O-CB 3.27Å; V209-T212 WeakPolarHBondContact O-CG2 3.41Å; V209-T212 PolarHBondContact O-N 3.04Å; V209-T212 PolarHBondContact O-OG1 2.99Å; V209-A215 VanDerWaalsContact O-CB 3.24Å; V209-A215 WeakPolarHBondContact O-CB 3.33Å
210	M	97.3	Very high	95.9	Very high	52 Å²	52	48.6 Å²	48.6	26%	0.256	26%	0.26	S	S	.	.	G	3₁₀ helix	trans	-72.4	-11.1	-179.4	-65.4	-55.1	-71.3	0	0	113.8	I204 N207 P208 T212 A215 R216 I219	I204-M210 HydrophobicContact CG1-CG 4.35Å; I204-M210 HydrophobicContact CG2-CE 4.15Å; I204-M210 HydrophobicContact CG2-CG 3.97Å; I204-M210 HydrophobicContact CG2-SD 3.59Å; I204-M210 VanDerWaalsContact CG2-SD 3.59Å; N207-M210 PolarHBondContact O-N 2.86Å; P208-M210 PolarHBondContact O-N 2.78Å; P208-M210 VanDerWaalsContact O-N 3.15Å; M210-T212 VanDerWaalsContact C-N 3.32Å; M210-A215 HydrophobicContact SD-CB 4.07Å; M210-R216 HydrophobicContact CE-CB 4.37Å; M210-I219 HydrophobicContact CE-CD1 4.39Å; M210-I219 HydrophobicContact SD-CD1 3.59Å; M210-I219 VanDerWaalsContact SD-CD1 3.59Å
211	K	95.2	Very high	95.7	Very high	194 Å²	194	46.2 Å²	46.2	84%	0.843	25%	0.252	S	S	*	.	G	3₁₀ helix	trans	-81.8	-13.8	170.1	-59.4	179.2	-179	175.3	0	112.5	P208 V209	P208-K211 WeakPolarHBondContact O-CB 3.33Å; P208-K211 PolarHBondContact O-N 3.06Å; V209-K211 PolarHBondContact O-N 3.17Å
212	T	92.7	Very high	95.5	Very high	60 Å²	60	44.2 Å²	44.2	37%	0.368	25%	0.245	S	C	.	.	S	Bend	trans	-75	145.7	179.7	69.3	0	0	0	0	110.8	V209 M210 R214 A215	V209-T212 WeakPolarHBondContact O-CB 3.27Å; V209-T212 WeakPolarHBondContact O-CG2 3.41Å; V209-T212 PolarHBondContact O-N 3.04Å; V209-T212 PolarHBondContact O-OG1 2.99Å; M210-T212 VanDerWaalsContact C-N 3.32Å; T212-R214 PolarHBondContact O-N 2.96Å; T212-A215 PolarHBondContact O-N 3.14Å; T212-A215 WeakPolarHBondContact OG1-CB 3.46Å
213	A	89.3	Confident	95.3	Very high	93 Å²	93	44.5 Å²	44.5	77%	0.769	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.1	126.7	-177.4	0	0	0	0	0	110.6	A215	A213-A215 PolarHBondContact O-N 3.44Å
214	R	90.2	Very high	95	Very high	104 Å²	104	51.3 Å²	51.3	39%	0.392	28%	0.276	S	S	.	.	T	Hydrogen-bonded Turn	trans	62.7	21.7	178.2	-53.1	-173.6	-68.1	148	2.2	115	T212 R216 D217 V218 W245 K249	T212-R214 PolarHBondContact O-N 2.96Å; R214-R216 PolarHBondContact O-N 2.93Å; R214-D217 HydrophobicContact CB-CB 4.17Å; R214-D217 WeakPolarHBondContact CB-OD2 3.46Å; R214-D217 WeakPolarHBondContact CG-OD2 3.2Å; R214-D217 PolarHBondContact O-N 2.65Å; R214-D217 VanDerWaalsContact O-N 3.08Å; R214-V218 WeakPolarHBondContact O-CG2 3.47Å; R214-V218 PolarHBondContact O-N 2.89Å; R214-W245 VanDerWaalsContact CD-CH2 3.47Å; R214-K249 VanDerWaalsContact CZ-NZ 3.34Å
215	A	94	Very high	94.8	Very high	3 Å²	3	58.1 Å²	58.1	3%	0.025	30%	0.302	C	S	.	.	H	α-helix	trans	-51.3	-46.7	175	0	0	0	0	0	111.8	V209 M210 T212 A213 D217 V218 I219	V209-A215 VanDerWaalsContact O-CB 3.24Å; V209-A215 WeakPolarHBondContact O-CB 3.33Å; M210-A215 HydrophobicContact SD-CB 4.07Å; T212-A215 PolarHBondContact O-N 3.14Å; T212-A215 WeakPolarHBondContact OG1-CB 3.46Å; A213-A215 PolarHBondContact O-N 3.44Å; A215-D217 PolarHBondContact O-N 3.42Å; A215-V218 PolarHBondContact O-N 2.89Å; A215-I219 VanDerWaalsContact O-CG1 3.29Å; A215-I219 WeakPolarHBondContact O-CG1 3.24Å; A215-I219 PolarHBondContact O-N 3.26Å
216	R	95.2	Very high	94.8	Very high	68 Å²	68	53.7 Å²	53.7	26%	0.257	28%	0.281	S	S	.	.	H	α-helix	trans	-55.6	-47.8	176.5	-176.9	172.1	178.5	87.5	4	112.2	M210 R214 V218 I219 I220 L229	M210-R216 HydrophobicContact CE-CB 4.37Å; R214-R216 PolarHBondContact O-N 2.93Å; R216-V218 VanDerWaalsContact C-N 3.33Å; R216-V218 PolarHBondContact O-N 3.44Å; R216-I219 PolarHBondContact O-N 3.08Å; R216-I220 HydrophobicContact CG-CD1 3.89Å; R216-I220 VanDerWaalsContact O-CG1 3.3Å; R216-I220 WeakPolarHBondContact O-CG1 3.47Å; R216-I220 PolarHBondContact O-N 3.29Å; R216-L229 HydrophobicContact CG-CD2 3.74Å; R216-L229 PolarHBondContact NH1-O 2.95Å
217	D	94.1	Very high	94.8	Very high	40 Å²	40	55.4 Å²	55.4	21%	0.214	27%	0.274	C	S	.	.	H	α-helix	trans	-63.4	-42.2	-178.5	-52.9	-14.6	0	0	0	111.2	R214 A215 I220 V221 L242	R214-D217 HydrophobicContact CB-CB 4.17Å; R214-D217 WeakPolarHBondContact CB-OD2 3.46Å; R214-D217 WeakPolarHBondContact CG-OD2 3.2Å; R214-D217 PolarHBondContact O-N 2.65Å; R214-D217 VanDerWaalsContact O-N 3.08Å; A215-D217 PolarHBondContact O-N 3.42Å; D217-I220 PolarHBondContact O-N 3.24Å; D217-V221 WeakPolarHBondContact O-CB 3.49Å; D217-V221 WeakPolarHBondContact O-CG2 3.37Å; D217-V221 PolarHBondContact O-N 2.76Å; D217-L242 HydrophobicContact CB-CD1 4.31Å; D217-L242 HydrophobicContact CB-CD2 3.99Å
218	V	93.8	Very high	94.8	Very high	41 Å²	41	58 Å²	58	25%	0.248	29%	0.288	C	S	.	.	H	α-helix	trans	-62.1	-44.6	177.2	174	0	0	0	0	110.5	I186 S190 R214 A215 R216 V221 T222	I186-V218 HydrophobicContact CD1-CB 4.16Å; I186-V218 HydrophobicContact CD1-CG1 3.86Å; I186-V218 HydrophobicContact CG1-CB 4.36Å; I186-V218 HydrophobicContact CG1-CG1 3.9Å; S190-V218 WeakPolarHBondContact OG-CG1 3.01Å; R214-V218 WeakPolarHBondContact O-CG2 3.47Å; R214-V218 PolarHBondContact O-N 2.89Å; A215-V218 PolarHBondContact O-N 2.89Å; R216-V218 VanDerWaalsContact C-N 3.33Å; R216-V218 PolarHBondContact O-N 3.44Å; V218-V221 PolarHBondContact O-N 3.18Å; V218-T222 VanDerWaalsContact O-CB 3.27Å; V218-T222 WeakPolarHBondContact O-CB 3.46Å; V218-T222 PolarHBondContact O-N 3.23Å; V218-T222 PolarHBondContact O-OG1 3.16Å
219	I	96.1	Very high	94.8	Very high	0 Å²	0	55.8 Å²	55.8	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-61	-49.2	177.4	-67.2	163.6	0	0	0	110.5	L189 L193 F202 I204 M210 A215 R216 V221 T222 A223 L226 L229	L189-I219 HydrophobicContact CD2-CD1 3.96Å; L189-I219 HydrophobicContact CD2-CG1 3.94Å; L193-I219 HydrophobicContact CD1-CB 4.28Å; L193-I219 HydrophobicContact CD1-CG1 4.04Å; L193-I219 HydrophobicContact CD1-CG2 4.02Å; F202-I219 HydrophobicContact CD1-CG2 3.93Å; F202-I219 HydrophobicContact CE1-CG2 4.23Å; I204-I219 HydrophobicContact CD1-CD1 4.43Å; I204-I219 HydrophobicContact CG2-CD1 4.02Å; M210-I219 HydrophobicContact CE-CD1 4.39Å; M210-I219 HydrophobicContact SD-CD1 3.59Å; M210-I219 VanDerWaalsContact SD-CD1 3.59Å; A215-I219 VanDerWaalsContact O-CG1 3.29Å; A215-I219 WeakPolarHBondContact O-CG1 3.24Å; A215-I219 PolarHBondContact O-N 3.26Å; R216-I219 PolarHBondContact O-N 3.08Å; I219-V221 PolarHBondContact O-N 3.18Å; I219-T222 PolarHBondContact O-N 2.67Å; I219-A223 WeakPolarHBondContact O-CB 3.35Å; I219-A223 PolarHBondContact O-N 2.69Å; I219-L226 HydrophobicContact CG2-CD2 3.98Å; I219-L229 HydrophobicContact CB-CD2 4.23Å; I219-L229 HydrophobicContact CG2-CD1 4.06Å; I219-L229 HydrophobicContact CG2-CD2 3.88Å
220	I	95.2	Very high	94.8	Very high	1 Å²	1	56.9 Å²	56.9	1%	0.005	28%	0.279	C	S	.	.	H	α-helix	trans	-56.9	-50.6	179.7	-68.5	169	0	0	0	109.9	R216 D217 T222 L229 I234 R239 L242	R216-I220 HydrophobicContact CG-CD1 3.89Å; R216-I220 VanDerWaalsContact O-CG1 3.3Å; R216-I220 WeakPolarHBondContact O-CG1 3.47Å; R216-I220 PolarHBondContact O-N 3.29Å; D217-I220 PolarHBondContact O-N 3.24Å; I220-T222 VanDerWaalsContact C-N 3.34Å; I220-T222 PolarHBondContact O-N 3.01Å; I220-L229 HydrophobicContact CD1-CD2 4.44Å; I220-L229 HydrophobicContact CG1-CD2 3.95Å; I220-I234 HydrophobicContact CD1-CD1 4.46Å; I220-I234 HydrophobicContact CD1-CG1 4.27Å; I220-I234 HydrophobicContact CG1-CD1 3.85Å; I220-I234 HydrophobicContact CG1-CG1 4.21Å; I220-I234 HydrophobicContact CG2-CG2 3.89Å; I220-R239 HydrophobicContact CG2-CB 4.45Å; I220-R239 PolarHBondContact O-NH1 3.24Å; I220-L242 HydrophobicContact CB-CD1 4.19Å; I220-L242 HydrophobicContact CD1-CD1 4.05Å; I220-L242 HydrophobicContact CG2-CD1 3.96Å
221	V	93.5	Very high	94.7	Very high	34 Å²	34	60 Å²	60	21%	0.206	30%	0.297	C	S	.	.	H	α-helix	trans	-68.2	-32.9	-177.8	171.4	0	0	0	0	112.5	D217 V218 I219 L242 E243	D217-V221 WeakPolarHBondContact O-CB 3.49Å; D217-V221 WeakPolarHBondContact O-CG2 3.37Å; D217-V221 PolarHBondContact O-N 2.76Å; V218-V221 PolarHBondContact O-N 3.18Å; I219-V221 PolarHBondContact O-N 3.18Å; V221-L242 HydrophobicContact CG2-CB 3.65Å; V221-E243 HydrophobicContact CG1-CG 4.16Å; V221-E243 HydrophobicContact CG2-CG 4.08Å
222	T	94.2	Very high	94.7	Very high	22 Å²	22	57.3 Å²	57.3	14%	0.135	29%	0.285	C	S	.	.	H	α-helix	trans	-73.5	-47.7	179.2	-52.7	0	0	0	0	111.2	S190 L193 N194 V218 I219 I220 K224	S190-T222 WeakPolarHBondContact O-CG2 3.29Å; L193-T222 HydrophobicContact CB-CG2 3.77Å; N194-T222 VanDerWaalsContact OD1-CG2 3.26Å; N194-T222 WeakPolarHBondContact OD1-CG2 3.4Å; V218-T222 VanDerWaalsContact O-CB 3.27Å; V218-T222 WeakPolarHBondContact O-CB 3.46Å; V218-T222 PolarHBondContact O-N 3.23Å; V218-T222 PolarHBondContact O-OG1 3.16Å; I219-T222 PolarHBondContact O-N 2.67Å; I220-T222 VanDerWaalsContact C-N 3.34Å; I220-T222 PolarHBondContact O-N 3.01Å; T222-K224 PolarHBondContact O-N 2.98Å
223	A	95.1	Very high	94.9	Very high	5 Å²	5	58.5 Å²	58.5	4%	0.041	30%	0.301	C	S	.	.	S	Bend	trans	-87.2	86.3	-179.7	0	0	0	0	0	110.8	L193 I219 R225 L226 R239	L193-A223 HydrophobicContact CD2-CB 4.27Å; I219-A223 WeakPolarHBondContact O-CB 3.35Å; I219-A223 PolarHBondContact O-N 2.69Å; A223-R225 VanDerWaalsContact C-N 3.27Å; A223-R225 PolarHBondContact O-N 3.22Å; A223-L226 HydrophobicContact CB-CB 3.81Å; A223-L226 HydrophobicContact CB-CD2 4.15Å; A223-L226 HydrophobicContact CB-CG 4.44Å; A223-L226 WeakPolarHBondContact O-CB 3.49Å; A223-L226 PolarHBondContact O-N 2.65Å; A223-L226 VanDerWaalsContact O-N 3.08Å; A223-R239 PolarHBondContact O-NH1 2.94Å; A223-R239 PolarHBondContact O-NH2 3.27Å; A223-R239 VanDerWaalsContact O-NH2 3.16Å
224	K	91	Very high	95.2	Very high	159 Å²	159	54.8 Å²	54.8	69%	0.691	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.5	-29.6	-170.1	-62.8	-175	-179.5	-178.4	0	115.4	T222	T222-K224 PolarHBondContact O-N 2.98Å
225	R	94.6	Very high	95.2	Very high	144 Å²	144	53 Å²	53	54%	0.543	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.7	8.6	-179.2	-60.9	-161.1	-174.4	154	-8.2	113.6	S197 N198 L199 A223 E227	S197-R225 WeakPolarHBondContact O-CD 3.47Å; S197-R225 PolarHBondContact O-NE 3.41Å; S197-R225 PolarHBondContact O-NH1 3.31Å; N198-R225 PolarHBondContact OD1-NH1 2.87Å; L199-R225 CarbonylContact O-C 3.36Å; L199-R225 VanDerWaalsContact O-C 3.22Å; A223-R225 VanDerWaalsContact C-N 3.27Å; A223-R225 PolarHBondContact O-N 3.22Å; R225-E227 PolarHBondContact O-N 3.27Å
226	L	97.1	Very high	95	Very high	0 Å²	0	57.8 Å²	57.8	0%	0	29%	0.293	C	S	.	.			trans	-69.2	120.8	-176.5	-165.3	69.8	0	0	0	110.6	L199 K200 F202 I219 A223 I228 L229 I234 R239	L199-L226 HydrophobicContact CD2-CD1 4.37Å; L199-L226 HydrophobicContact CG-CD1 4.27Å; L199-L226 PolarHBondContact O-N 3.48Å; K200-L226 WeakPolarHBondContact O-CD1 3.3Å; F202-L226 HydrophobicContact CB-CD1 3.45Å; F202-L226 VanDerWaalsContact CB-CD1 3.45Å; F202-L226 HydrophobicContact CB-CD2 4.26Å; F202-L226 HydrophobicContact CB-CG 4.49Å; I219-L226 HydrophobicContact CG2-CD2 3.98Å; A223-L226 HydrophobicContact CB-CB 3.81Å; A223-L226 HydrophobicContact CB-CD2 4.15Å; A223-L226 HydrophobicContact CB-CG 4.44Å; A223-L226 WeakPolarHBondContact O-CB 3.49Å; A223-L226 PolarHBondContact O-N 2.65Å; A223-L226 VanDerWaalsContact O-N 3.08Å; L226-I228 WeakPolarHBondContact CD1-O 3.38Å; L226-L229 HydrophobicContact CD2-CB 3.99Å; L226-L229 HydrophobicContact CD2-CD1 4.38Å; L226-L229 HydrophobicContact CD2-CD2 4.44Å; L226-I234 HydrophobicContact CB-CD1 4Å; L226-I234 HydrophobicContact CD2-CD1 3.68Å; L226-I234 HydrophobicContact CG-CD1 3.66Å; L226-I234 WeakPolarHBondContact O-CD1 3.46Å; L226-R239 PolarHBondContact O-NH2 2.96Å
227	E	97.4	Very high	94.8	Very high	93 Å²	93	58.9 Å²	58.9	44%	0.435	31%	0.309	S	S	.	.			trans	-101.3	-32.3	-179.9	-65.8	170.6	-161.6	0	0	110.6	K200 R225 A233 I234	K200-E227 HydrophobicContact CB-CG 4.46Å; K200-E227 WeakPolarHBondContact CD-OE1 3.49Å; K200-E227 WeakPolarHBondContact CE-OE1 3.44Å; K200-E227 IonicContact NZ-OE1 2.81Å; K200-E227 PolarHBondContact NZ-OE1 3.15Å; K200-E227 IonicContact NZ-OE2 2.8Å; K200-E227 WeakPolarHBondContact O-CA 3.47Å; K200-E227 PolarHBondContact O-N 3.03Å; R225-E227 PolarHBondContact O-N 3.27Å; E227-A233 CarbonylContact O-C 3.54Å; E227-A233 WeakPolarHBondContact O-CA 3.45Å; E227-I234 PolarHBondContact O-N 2.97Å
228	I	98.3	Very high	94.5	Very high	58 Å²	58	60.1 Å²	60.1	30%	0.297	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	129	-176.9	-57.3	174.6	0	0	0	109.7	K200 E201 F202 L226	K200-I228 PolarHBondContact O-N 3.04Å; E201-I228 HydrophobicContact CB-CB 4.48Å; E201-I228 HydrophobicContact CG-CB 4.24Å; E201-I228 HydrophobicContact CG-CG2 4.35Å; F202-I228 PolarHBondContact N-O 2.83Å; L226-I228 WeakPolarHBondContact CD1-O 3.38Å
229	L	98.2	Very high	94.5	Very high	0 Å²	0	58.4 Å²	58.4	0%	0	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	115.1	172.8	176.9	59.2	0	0	0	110.9	F202 I204 R216 I219 I220 L226 K232 I234	F202-L229 HydrophobicContact CB-CD1 4.35Å; F202-L229 HydrophobicContact CD1-CD1 3.84Å; F202-L229 WeakPolarHBondContact O-CA 3.49Å; F202-L229 WeakPolarHBondContact O-CD1 3.38Å; I204-L229 HydrophobicContact CG2-CD1 3.99Å; R216-L229 HydrophobicContact CG-CD2 3.74Å; R216-L229 PolarHBondContact NH1-O 2.95Å; I219-L229 HydrophobicContact CB-CD2 4.23Å; I219-L229 HydrophobicContact CG2-CD1 4.06Å; I219-L229 HydrophobicContact CG2-CD2 3.88Å; I220-L229 HydrophobicContact CD1-CD2 4.44Å; I220-L229 HydrophobicContact CG1-CD2 3.95Å; L226-L229 HydrophobicContact CD2-CB 3.99Å; L226-L229 HydrophobicContact CD2-CD1 4.38Å; L226-L229 HydrophobicContact CD2-CD2 4.44Å; L229-K232 PolarHBondContact N-O 3.08Å; L229-K232 WeakPolarHBondContact O-CB 3.46Å; L229-K232 PolarHBondContact O-N 3.24Å; L229-I234 HydrophobicContact CB-CD1 3.93Å; L229-I234 HydrophobicContact CB-CG1 4.41Å
230	D	97.6	Very high	94.2	Very high	23 Å²	23	63.4 Å²	63.4	12%	0.123	33%	0.328	C	S	.	.	T	Hydrogen-bonded Turn	trans	51.1	58.9	-174.5	-57.3	-49.6	0	0	0	111.3	F202 I204 Q205 K232	F202-D230 PolarHBondContact O-N 3.29Å; I204-D230 PolarHBondContact N-OD1 3.39Å; Q205-D230 PolarHBondContact N-OD1 3.03Å; D230-K232 PolarHBondContact O-N 3.46Å
231	D	95.7	Very high	94	Very high	119 Å²	119	65.7 Å²	65.7	64%	0.636	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.6	8.3	-178	-59.5	-52.2	0	0	0	115.9	H203	H203-D231 IonicContact CE1-OD1 3.91Å; H203-D231 PolarHBondContact CE1-OD1 2.97Å; H203-D231 IonicContact ND1-OD1 3.6Å
232	K	96.5	Very high	93.8	Very high	136 Å²	136	64.5 Å²	64.5	59%	0.591	33%	0.33	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-107.9	121.3	178.8	-66.2	175.8	-175.2	178.1	0	110.7	L229 D230	L229-K232 PolarHBondContact N-O 3.08Å; L229-K232 WeakPolarHBondContact O-CB 3.46Å; L229-K232 PolarHBondContact O-N 3.24Å; D230-K232 PolarHBondContact O-N 3.46Å
233	A	96.6	Very high	93.6	Very high	86 Å²	86	66.2 Å²	66.2	71%	0.711	34%	0.337	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-58.7	139.5	172.9	0	0	0	0	0	111.4	E227	E227-A233 CarbonylContact O-C 3.54Å; E227-A233 WeakPolarHBondContact O-CA 3.45Å
234	I	94.9	Very high	93.2	Very high	15 Å²	15	69.8 Å²	69.8	8%	0.077	36%	0.355	C	S	.	.	P	Polyproline II helix	trans	-100.4	118.1	173.7	-60.8	160.2	0	0	0	106.9	I220 L226 E227 L229 R239	I220-I234 HydrophobicContact CD1-CD1 4.46Å; I220-I234 HydrophobicContact CD1-CG1 4.27Å; I220-I234 HydrophobicContact CG1-CD1 3.85Å; I220-I234 HydrophobicContact CG1-CG1 4.21Å; I220-I234 HydrophobicContact CG2-CG2 3.89Å; L226-I234 HydrophobicContact CB-CD1 4Å; L226-I234 HydrophobicContact CD2-CD1 3.68Å; L226-I234 HydrophobicContact CG-CD1 3.66Å; L226-I234 WeakPolarHBondContact O-CD1 3.46Å; E227-I234 PolarHBondContact O-N 2.97Å; L229-I234 HydrophobicContact CB-CD1 3.93Å; L229-I234 HydrophobicContact CB-CG1 4.41Å; I234-R239 HydrophobicContact CG2-CB 4.41Å
235	S	91	Very high	92.8	Very high	65 Å²	65	65.9 Å²	65.9	46%	0.455	34%	0.336	S	S	.	.	P	Polyproline II helix	trans	-80.8	141.1	173.7	69.1	0	0	0	0	110.7	N238 R239	S235-N238 WeakPolarHBondContact O-CB 3.4Å; S235-N238 PolarHBondContact O-N 3.34Å; S235-N238 VanDerWaalsContact OG-CB 3.23Å; S235-N238 WeakPolarHBondContact OG-CB 3.47Å; S235-N238 PolarHBondContact OG-N 3.42Å; S235-R239 PolarHBondContact O-N 3.02Å
236	E	89.6	Confident	92.2	Very high	105 Å²	105	61.1 Å²	61.1	49%	0.491	32%	0.321	S	S	.	.	H	α-helix	trans	-56.7	-40.4	176.5	-72.6	-57.6	122.1	0	0	113.9	N238 R239 Q240	E236-N238 VanDerWaalsContact C-N 3.29Å; E236-N238 PolarHBondContact O-N 3.1Å; E236-R239 WeakPolarHBondContact O-CB 3.41Å; E236-R239 PolarHBondContact O-N 3.27Å; E236-R239 IonicContact OE1-NE 2.75Å; E236-Q240 WeakPolarHBondContact O-CG 3.33Å; E236-Q240 PolarHBondContact O-N 3.36Å
237	P	89.9	Confident	91.4	Very high	91 Å²	91	67.3 Å²	67.3	59%	0.591	35%	0.351	S	S	*	.	H	α-helix	trans	-60.1	-38.2	173.7	-25.2	35.4	0	0	0	113.2	Q240 F241	P237-Q240 PolarHBondContact O-N 2.79Å; P237-F241 WeakPolarHBondContact O-CB 3.45Å; P237-F241 PolarHBondContact O-N 2.96Å
238	N	88.1	Confident	90.6	Very high	65 Å²	65	67.2 Å²	67.2	35%	0.348	35%	0.347	S	S	.	.	H	α-helix	trans	-67.5	-41.8	177	-177.6	36.8	0	0	0	111.1	S235 E236 F241 L242	S235-N238 WeakPolarHBondContact O-CB 3.4Å; S235-N238 PolarHBondContact O-N 3.34Å; S235-N238 VanDerWaalsContact OG-CB 3.23Å; S235-N238 WeakPolarHBondContact OG-CB 3.47Å; S235-N238 PolarHBondContact OG-N 3.42Å; E236-N238 VanDerWaalsContact C-N 3.29Å; E236-N238 PolarHBondContact O-N 3.1Å; N238-F241 PolarHBondContact O-N 3.48Å; N238-L242 WeakPolarHBondContact O-CG 3.41Å; N238-L242 PolarHBondContact O-N 2.96Å
239	R	93.3	Very high	89.6	Confident	6 Å²	6	67.6 Å²	67.6	2%	0.023	35%	0.346	C	S	.	.	H	α-helix	trans	-57.1	-51.2	173.8	172.4	-179.9	-65.5	-70.8	-2.3	111.5	I220 A223 L226 I234 S235 E236 F241 L242 E243	I220-R239 HydrophobicContact CG2-CB 4.45Å; I220-R239 PolarHBondContact O-NH1 3.24Å; A223-R239 PolarHBondContact O-NH1 2.94Å; A223-R239 PolarHBondContact O-NH2 3.27Å; A223-R239 VanDerWaalsContact O-NH2 3.16Å; L226-R239 PolarHBondContact O-NH2 2.96Å; I234-R239 HydrophobicContact CG2-CB 4.41Å; S235-R239 PolarHBondContact O-N 3.02Å; E236-R239 WeakPolarHBondContact O-CB 3.41Å; E236-R239 PolarHBondContact O-N 3.27Å; E236-R239 IonicContact OE1-NE 2.75Å; R239-F241 VanDerWaalsContact C-N 3.33Å; R239-F241 PolarHBondContact O-N 3.48Å; R239-L242 PolarHBondContact O-N 3.43Å; R239-L242 VanDerWaalsContact O-N 3.17Å; R239-E243 WeakPolarHBondContact CG-OE1 3.46Å; R239-E243 WeakPolarHBondContact O-CG 3.41Å; R239-E243 PolarHBondContact O-N 3.39Å
240	Q	90.2	Very high	88.4	Confident	105 Å²	105	70.6 Å²	70.6	49%	0.491	37%	0.367	S	S	.	.	H	α-helix	trans	-59.1	-43.5	179.8	-72	175.2	2.2	0	0	112	E236 P237 L242 E243 N244	E236-Q240 WeakPolarHBondContact O-CG 3.33Å; E236-Q240 PolarHBondContact O-N 3.36Å; P237-Q240 PolarHBondContact O-N 2.79Å; Q240-L242 PolarHBondContact O-N 3.4Å; Q240-E243 PolarHBondContact O-N 3.02Å; Q240-N244 WeakPolarHBondContact O-CB 3.41Å; Q240-N244 PolarHBondContact O-N 3.07Å; Q240-N244 PolarHBondContact O-ND2 3.17Å
241	F	90.4	Very high	87.2	Confident	49 Å²	49	75 Å²	75	22%	0.215	39%	0.385	C	S	.	.	H	α-helix	trans	-58	-47.7	175.1	174.3	-95.7	0	0	0	112.1	P237 N238 R239 E243 N244 W245 F280	P237-F241 WeakPolarHBondContact O-CB 3.45Å; P237-F241 PolarHBondContact O-N 2.96Å; N238-F241 PolarHBondContact O-N 3.48Å; R239-F241 VanDerWaalsContact C-N 3.33Å; R239-F241 PolarHBondContact O-N 3.48Å; F241-E243 PolarHBondContact O-N 3.22Å; F241-N244 PolarHBondContact O-N 3.05Å; F241-W245 VanDerWaalsContact O-CB 3.3Å; F241-W245 WeakPolarHBondContact O-CB 3.3Å; F241-W245 PolarHBondContact O-N 3.47Å; F241-F280 HydrophobicContact CE2-CZ 4.37Å; F241-F280 HydrophobicContact CZ-CE1 4.28Å; F241-F280 AromaticContact CZ-CZ 3.97Å; F241-F280 HydrophobicContact CZ-CZ 3.97Å
242	L	90	Very high	86	Confident	9 Å²	9	72.1 Å²	72.1	5%	0.047	37%	0.37	C	S	.	.	H	α-helix	trans	-64.6	-39.2	179.7	-68.9	175.2	0	0	0	112.5	D217 I220 V221 N238 R239 Q240 N246	D217-L242 HydrophobicContact CB-CD1 4.31Å; D217-L242 HydrophobicContact CB-CD2 3.99Å; I220-L242 HydrophobicContact CB-CD1 4.19Å; I220-L242 HydrophobicContact CD1-CD1 4.05Å; I220-L242 HydrophobicContact CG2-CD1 3.96Å; V221-L242 HydrophobicContact CG2-CB 3.65Å; N238-L242 WeakPolarHBondContact O-CG 3.41Å; N238-L242 PolarHBondContact O-N 2.96Å; R239-L242 PolarHBondContact O-N 3.43Å; R239-L242 VanDerWaalsContact O-N 3.17Å; Q240-L242 PolarHBondContact O-N 3.4Å; L242-N246 WeakPolarHBondContact O-CB 3.23Å; L242-N246 PolarHBondContact O-N 3.04Å
243	E	89.5	Confident	84.8	Confident	58 Å²	58	70.6 Å²	70.6	27%	0.271	37%	0.368	S	S	.	.	H	α-helix	trans	-62.8	-51.2	175.5	-73.4	176	-179.3	0	0	111.3	V221 R239 Q240 F241 W245 N246 Q247	V221-E243 HydrophobicContact CG1-CG 4.16Å; V221-E243 HydrophobicContact CG2-CG 4.08Å; R239-E243 WeakPolarHBondContact CG-OE1 3.46Å; R239-E243 WeakPolarHBondContact O-CG 3.41Å; R239-E243 PolarHBondContact O-N 3.39Å; Q240-E243 PolarHBondContact O-N 3.02Å; F241-E243 PolarHBondContact O-N 3.22Å; E243-W245 VanDerWaalsContact C-N 3.29Å; E243-W245 PolarHBondContact O-N 3.35Å; E243-N246 PolarHBondContact O-N 3.35Å; E243-Q247 WeakPolarHBondContact O-CG 3.46Å; E243-Q247 PolarHBondContact O-N 3.13Å
244	N	87.6	Confident	83.4	Confident	79 Å²	79	72 Å²	72	42%	0.422	36%	0.36	S	S	.	.	H	α-helix	trans	-58.5	-42.5	178.3	-71.2	-19.4	0	0	0	111.6	Q240 F241 Q247 Y248	Q240-N244 WeakPolarHBondContact O-CB 3.41Å; Q240-N244 PolarHBondContact O-N 3.07Å; Q240-N244 PolarHBondContact O-ND2 3.17Å; F241-N244 PolarHBondContact O-N 3.05Å; N244-Q247 PolarHBondContact O-N 3.28Å; N244-Y248 PolarHBondContact O-N 3.29Å
245	W	82.9	Confident	82	Confident	77 Å²	77	74.5 Å²	74.5	29%	0.292	37%	0.373	S	S	.	.	H	α-helix	trans	-69.3	-37.4	-179.4	-174.5	77.8	0	0	0	113.3	R214 F241 E243 Y248 K249	R214-W245 VanDerWaalsContact CD-CH2 3.47Å; F241-W245 VanDerWaalsContact O-CB 3.3Å; F241-W245 WeakPolarHBondContact O-CB 3.3Å; F241-W245 PolarHBondContact O-N 3.47Å; E243-W245 VanDerWaalsContact C-N 3.29Å; E243-W245 PolarHBondContact O-N 3.35Å; W245-Y248 PolarHBondContact O-N 3.48Å; W245-K249 HydrophobicContact CD2-CD 4.24Å; W245-K249 HydrophobicContact CE3-CD 4.29Å; W245-K249 HydrophobicContact CH2-CD 4.36Å; W245-K249 HydrophobicContact CZ2-CD 4.18Å; W245-K249 HydrophobicContact CZ3-CD 4.42Å; W245-K249 PolarHBondContact O-N 3.5Å; W245-K249 VanDerWaalsContact O-N 3.1Å
246	N	82.1	Confident	80.7	Confident	44 Å²	44	75.8 Å²	75.8	24%	0.235	38%	0.382	C	S	.	.	H	α-helix	trans	-66.4	-38.4	174	-82.7	-23.6	0	0	0	111.9	L242 E243 K249 S250	L242-N246 WeakPolarHBondContact O-CB 3.23Å; L242-N246 PolarHBondContact O-N 3.04Å; E243-N246 PolarHBondContact O-N 3.35Å; N246-K249 PolarHBondContact O-N 3.28Å; N246-S250 PolarHBondContact O-N 3.49Å; N246-S250 VanDerWaalsContact O-N 3.11Å
247	Q	80	Confident	79.4	Confident	131 Å²	131	80.5 Å²	80.5	61%	0.612	40%	0.395	S	S	*	.	H	α-helix	trans	-63.6	-46.9	174.2	-70	178.7	12.4	0	0	112	E243 N244 K249 S250 F251	E243-Q247 WeakPolarHBondContact O-CG 3.46Å; E243-Q247 PolarHBondContact O-N 3.13Å; N244-Q247 PolarHBondContact O-N 3.28Å; Q247-K249 VanDerWaalsContact C-N 3.28Å; Q247-K249 PolarHBondContact O-N 2.99Å; Q247-S250 PolarHBondContact O-N 3.2Å; Q247-F251 PolarHBondContact O-N 3.32Å
248	Y	80.1	Confident	77.4	Confident	90 Å²	90	79.5 Å²	79.5	35%	0.353	39%	0.39	S	S	.	.	H	α-helix	trans	-57.7	-40.4	177.3	179.7	-102.5	0	0	0	112.4	N244 W245 F251 N252	N244-Y248 PolarHBondContact O-N 3.29Å; W245-Y248 PolarHBondContact O-N 3.48Å; Y248-F251 PolarHBondContact O-N 3.38Å; Y248-N252 WeakPolarHBondContact CE1-ND2 3.21Å; Y248-N252 PolarHBondContact O-N 3.05Å; Y248-N252 PolarHBondContact OH-ND2 3.43Å
249	K	76.6	Confident	75.8	Confident	67 Å²	67	82 Å²	82	29%	0.291	41%	0.409	S	S	.	.	H	α-helix	trans	-64.7	-45.9	175.6	-80.7	-174.8	168.1	-173.8	0	113.1	R214 W245 N246 Q247 F251 N252 L253	R214-K249 VanDerWaalsContact CZ-NZ 3.34Å; W245-K249 HydrophobicContact CD2-CD 4.24Å; W245-K249 HydrophobicContact CE3-CD 4.29Å; W245-K249 HydrophobicContact CH2-CD 4.36Å; W245-K249 HydrophobicContact CZ2-CD 4.18Å; W245-K249 HydrophobicContact CZ3-CD 4.42Å; W245-K249 PolarHBondContact O-N 3.5Å; W245-K249 VanDerWaalsContact O-N 3.1Å; N246-K249 PolarHBondContact O-N 3.28Å; Q247-K249 VanDerWaalsContact C-N 3.28Å; Q247-K249 PolarHBondContact O-N 2.99Å; K249-F251 VanDerWaalsContact C-N 3.26Å; K249-F251 PolarHBondContact O-N 3.44Å; K249-N252 PolarHBondContact O-N 3.01Å; K249-L253 WeakPolarHBondContact O-CB 3.41Å; K249-L253 WeakPolarHBondContact O-CD1 3.42Å; K249-L253 WeakPolarHBondContact O-CG 3.42Å; K249-L253 PolarHBondContact O-N 3.3Å
250	S	73.7	Confident	73.8	Confident	62 Å²	62	93 Å²	93	43%	0.434	45%	0.451	S	S	.	.	H	α-helix	trans	-57.5	-45.4	176.8	-162.9	0	0	0	0	110.5	N246 Q247 N252 L253 E254	N246-S250 PolarHBondContact O-N 3.49Å; N246-S250 VanDerWaalsContact O-N 3.11Å; Q247-S250 PolarHBondContact O-N 3.2Å; S250-N252 PolarHBondContact O-N 3.11Å; S250-L253 PolarHBondContact O-N 2.99Å; S250-E254 WeakPolarHBondContact O-CG 3.39Å; S250-E254 PolarHBondContact O-N 3.33Å
251	F	73.5	Confident	71.6	Confident	116 Å²	116	91.4 Å²	91.4	51%	0.509	45%	0.445	S	S	.	.	H	α-helix	trans	-61.8	-45.2	178.6	-174.6	-104.5	0	0	0	113.2	Q247 Y248 K249 L253 E254 L255	Q247-F251 PolarHBondContact O-N 3.32Å; Y248-F251 PolarHBondContact O-N 3.38Å; K249-F251 VanDerWaalsContact C-N 3.26Å; K249-F251 PolarHBondContact O-N 3.44Å; F251-L253 PolarHBondContact O-N 3.35Å; F251-E254 PolarHBondContact O-N 2.94Å; F251-L255 HydrophobicContact CD1-CD1 3.73Å; F251-L255 HydrophobicContact CD1-CG 4.42Å; F251-L255 HydrophobicContact CE1-CD1 3.34Å; F251-L255 HydrophobicContact CE1-CG 4.11Å; F251-L255 HydrophobicContact CZ-CD1 3.93Å; F251-L255 HydrophobicContact CZ-CG 4.29Å; F251-L255 WeakPolarHBondContact O-CG 3.37Å; F251-L255 PolarHBondContact O-N 3.06Å
252	N	69.6	Low	69.2	Low	58 Å²	58	100 Å²	100	31%	0.31	48%	0.477	S	S	.	.	H	α-helix	trans	-67.8	-34.5	177.2	-79.5	-17.4	0	0	0	113.3	Y248 K249 S250 E254 L255 S256	Y248-N252 WeakPolarHBondContact CE1-ND2 3.21Å; Y248-N252 PolarHBondContact O-N 3.05Å; Y248-N252 PolarHBondContact OH-ND2 3.43Å; K249-N252 PolarHBondContact O-N 3.01Å; S250-N252 PolarHBondContact O-N 3.11Å; N252-E254 VanDerWaalsContact C-N 3.33Å; N252-L255 PolarHBondContact O-N 3.49Å; N252-S256 WeakPolarHBondContact O-CB 3.42Å; N252-S256 PolarHBondContact O-N 2.96Å; N252-S256 PolarHBondContact O-OG 3.5Å
253	L	71.5	Confident	67	Low	104 Å²	104	108.3 Å²	108.3	55%	0.545	52%	0.515	S	S	.	.	H	α-helix	trans	-65.5	-37.1	173.4	-80.4	160.3	0	0	0	111.5	K249 S250 F251 S256 R257	K249-L253 WeakPolarHBondContact O-CB 3.41Å; K249-L253 WeakPolarHBondContact O-CD1 3.42Å; K249-L253 WeakPolarHBondContact O-CG 3.42Å; K249-L253 PolarHBondContact O-N 3.3Å; S250-L253 PolarHBondContact O-N 2.99Å; F251-L253 PolarHBondContact O-N 3.35Å; L253-S256 WeakPolarHBondContact CA-OG 3.5Å; L253-S256 PolarHBondContact O-OG 3.18Å; L253-R257 WeakPolarHBondContact O-CG 3.46Å; L253-R257 PolarHBondContact O-N 2.96Å
254	E	66.4	Low	64.7	Low	116 Å²	116	111.4 Å²	111.4	54%	0.542	53%	0.532	S	S	.	.	H	α-helix	trans	-69	-44.3	174.3	-73.6	171.8	-167.7	0	0	112.2	S250 F251 N252 S256 R257 C258	S250-E254 WeakPolarHBondContact O-CG 3.39Å; S250-E254 PolarHBondContact O-N 3.33Å; F251-E254 PolarHBondContact O-N 2.94Å; N252-E254 VanDerWaalsContact C-N 3.33Å; E254-S256 VanDerWaalsContact C-N 3.3Å; E254-S256 PolarHBondContact O-N 2.92Å; E254-R257 PolarHBondContact O-N 2.96Å; E254-R257 VanDerWaalsContact O-N 3.13Å; E254-C258 PolarHBondContact O-N 3.39Å
255	L	65.9	Low	62.3	Low	68 Å²	68	113.2 Å²	113.2	36%	0.356	55%	0.546	S	S	.	.	H	α-helix	trans	-59.2	-39.9	176.6	-78.1	172.8	0	0	0	112.6	F251 N252 R257 C258	F251-L255 HydrophobicContact CD1-CD1 3.73Å; F251-L255 HydrophobicContact CD1-CG 4.42Å; F251-L255 HydrophobicContact CE1-CD1 3.34Å; F251-L255 HydrophobicContact CE1-CG 4.11Å; F251-L255 HydrophobicContact CZ-CD1 3.93Å; F251-L255 HydrophobicContact CZ-CG 4.29Å; F251-L255 WeakPolarHBondContact O-CG 3.37Å; F251-L255 PolarHBondContact O-N 3.06Å; N252-L255 PolarHBondContact O-N 3.49Å; L255-R257 VanDerWaalsContact C-N 3.32Å; L255-C258 PolarHBondContact O-N 3Å
256	S	64.4	Low	60	Low	91 Å²	91	117 Å²	117	64%	0.636	57%	0.571	S	S	*	*	H	α-helix	trans	-72.5	-23.1	178.5	51.9	0	0	0	0	113.6	N252 L253 E254	N252-S256 WeakPolarHBondContact O-CB 3.42Å; N252-S256 PolarHBondContact O-N 2.96Å; N252-S256 PolarHBondContact O-OG 3.5Å; L253-S256 WeakPolarHBondContact CA-OG 3.5Å; L253-S256 PolarHBondContact O-OG 3.18Å; E254-S256 VanDerWaalsContact C-N 3.3Å; E254-S256 PolarHBondContact O-N 2.92Å
257	R	61.2	Low	57.8	Low	204 Å²	204	118 Å²	118	77%	0.77	59%	0.592	S	S	*	*	H	α-helix	trans	-79.1	-21	173.8	-75.4	177.6	179.1	-170.3	0.5	113.6	L253 E254 L255 P259	L253-R257 WeakPolarHBondContact O-CG 3.46Å; L253-R257 PolarHBondContact O-N 2.96Å; E254-R257 PolarHBondContact O-N 2.96Å; E254-R257 VanDerWaalsContact O-N 3.13Å; L255-R257 VanDerWaalsContact C-N 3.32Å; R257-P259 WeakPolarHBondContact O-CD 2.95Å
258	C	48.1	Very low	56	Low	71 Å²	71	116.5 Å²	116.5	48%	0.48	59%	0.592	S	S	.	*			trans	-75.5	110.6	177.6	-97.3	0	0	0	0	111.6	E254 L255 R260 N261	E254-C258 PolarHBondContact O-N 3.39Å; L255-C258 PolarHBondContact O-N 3Å; C258-R260 PolarHBondContact O-N 3.41Å; C258-R260 VanDerWaalsContact O-N 3.14Å; C258-N261 PolarHBondContact O-N 3.14Å
259	P	55	Low	54.2	Low	117 Å²	117	119.4 Å²	119.4	76%	0.76	61%	0.607	S	S	*	*	G	3₁₀ helix	trans	-63.9	-24.6	-176.7	-19.3	32	0	0	0	113.5	R257 N261	R257-P259 WeakPolarHBondContact O-CD 2.95Å; P259-N261 VanDerWaalsContact C-N 3.32Å; P259-N261 PolarHBondContact O-N 3.38Å
260	R	50.5	Low	52.7	Low	236 Å²	236	120 Å²	120	89%	0.891	62%	0.618	S	S	*	*	G	3₁₀ helix	trans	-76.1	-8.1	-175.2	-87.7	-176.2	179.1	170.7	0.3	115.4	C258	C258-R260 PolarHBondContact O-N 3.41Å; C258-R260 VanDerWaalsContact O-N 3.14Å
261	N	44.3	Very low	51.3	Low	72 Å²	72	124.5 Å²	124.5	39%	0.385	63%	0.632	S	S	.	*	G	3₁₀ helix	trans	-103.5	7.7	-176.9	-81.2	-0	0	0	0	115.3	C258 P259 Q263 I264	C258-N261 PolarHBondContact O-N 3.14Å; P259-N261 VanDerWaalsContact C-N 3.32Å; P259-N261 PolarHBondContact O-N 3.38Å; N261-Q263 PolarHBondContact O-N 3.28Å; N261-I264 PolarHBondContact O-N 3.23Å; N261-I264 VanDerWaalsContact O-N 3.11Å
262	R	41.4	Very low	49.7	Very low	231 Å²	231	123.2 Å²	123.2	87%	0.872	63%	0.63	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.2	-10.5	173.6	-73.4	-169.2	-171.4	-176.6	4	114.3
263	Q	43.1	Very low	48.3	Very low	182 Å²	182	123.1 Å²	123.1	85%	0.85	63%	0.631	S	S	*	*	T	Hydrogen-bonded Turn	trans	-103	1.7	175.1	-77.3	-172.4	-16.9	0	0	115.1	N261 T265	N261-Q263 PolarHBondContact O-N 3.28Å; Q263-T265 PolarHBondContact O-N 2.9Å
264	I	40	Very low	47.1	Very low	124 Å²	124	122.4 Å²	122.4	64%	0.636	63%	0.628	S	S	*	*			trans	-98.5	75.1	169.6	-49.9	179.2	0	0	0	107.7	N261 L266	N261-I264 PolarHBondContact O-N 3.23Å; N261-I264 VanDerWaalsContact O-N 3.11Å; I264-L266 PolarHBondContact O-N 3.04Å
265	T	37.3	Very low	46.1	Very low	116 Å²	116	121.8 Å²	121.8	71%	0.712	63%	0.628	S	S	*	*			trans	-54.5	117.7	166.3	38.7	0	0	0	0	110.3	Q263 G267	Q263-T265 PolarHBondContact O-N 2.9Å; T265-G267 PolarHBondContact O-N 3.19Å
266	L	35.5	Very low	45	Very low	156 Å²	156	120.8 Å²	120.8	82%	0.817	62%	0.622	S	S	*	*			trans	49.8	40.7	146.2	-66.7	161.5	0	0	0	117.4	I264 T268	I264-L266 PolarHBondContact O-N 3.04Å; L266-T268 PolarHBondContact O-N 3.3Å
267	G	36	Very low	44.1	Very low	66 Å²	66	121 Å²	121	68%	0.68	62%	0.616	S	S	*	*			trans	-77.4	71.3	155.1	0	0	0	0	0	109.6	T265 K269	T265-G267 PolarHBondContact O-N 3.19Å; G267-K269 PolarHBondContact O-N 3.09Å
268	T	41.8	Very low	43.6	Very low	100 Å²	100	117.3 Å²	117.3	61%	0.613	61%	0.608	S	S	*	*			trans	-50.9	110.4	166.7	42.3	0	0	0	0	107.9	L266 P270	L266-T268 PolarHBondContact O-N 3.3Å; T268-P270 WeakPolarHBondContact O-CD 3.18Å
269	K	41.5	Very low	43.7	Very low	151 Å²	151	117 Å²	117	66%	0.657	60%	0.6	S	S	*	*			trans	-60.8	105.4	165.9	-91	-172.2	173.4	-173.7	0	106.6	G267 E271 L272 T273	G267-K269 PolarHBondContact O-N 3.09Å; K269-E271 PolarHBondContact O-N 3.47Å; K269-L272 HydrophobicContact CD-CD1 4.47Å; K269-L272 PolarHBondContact O-N 3.48Å; K269-T273 PolarHBondContact O-OG1 3.11Å
270	P	46.5	Very low	42.9	Very low	80 Å²	80	116.9 Å²	116.9	52%	0.519	59%	0.587	S	S	.	*	H	α-helix	trans	-60.7	-35	-172.8	-20.3	34	0	0	0	111	T268 L272 T273 D274	T268-P270 WeakPolarHBondContact O-CD 3.18Å; P270-L272 VanDerWaalsContact C-N 3.29Å; P270-L272 PolarHBondContact O-N 3.35Å; P270-L272 VanDerWaalsContact O-N 3.16Å; P270-T273 PolarHBondContact O-N 3.42Å; P270-T273 PolarHBondContact O-OG1 3.04Å; P270-D274 WeakPolarHBondContact O-CB 3.25Å; P270-D274 PolarHBondContact O-N 3.25Å
271	E	43.7	Very low	42.7	Very low	156 Å²	156	110 Å²	110	73%	0.729	57%	0.572	S	S	*	*	H	α-helix	trans	-59.8	-29.6	-174.1	-64.9	175.4	166.4	0	0	114.8	K269 L275	K269-E271 PolarHBondContact O-N 3.47Å; E271-L275 PolarHBondContact O-N 3.27Å
272	L	39.4	Very low	42.8	Very low	88 Å²	88	113.9 Å²	113.9	46%	0.461	59%	0.585	S	S	.	*	H	α-helix	trans	-87	-39.4	179.1	-92.8	148.4	0	0	0	112.4	K269 P270 D274 L275 I276	K269-L272 HydrophobicContact CD-CD1 4.47Å; K269-L272 PolarHBondContact O-N 3.48Å; P270-L272 VanDerWaalsContact C-N 3.29Å; P270-L272 PolarHBondContact O-N 3.35Å; P270-L272 VanDerWaalsContact O-N 3.16Å; L272-D274 VanDerWaalsContact C-N 3.32Å; L272-L275 PolarHBondContact O-N 3.1Å; L272-I276 WeakPolarHBondContact O-CD1 3Å; L272-I276 VanDerWaalsContact O-CG1 3.25Å; L272-I276 WeakPolarHBondContact O-CG1 3.4Å; L272-I276 PolarHBondContact O-N 3.42Å; L272-I276 VanDerWaalsContact O-N 3.1Å
273	T	41.4	Very low	42.7	Very low	57 Å²	57	107.1 Å²	107.1	35%	0.35	57%	0.569	S	S	.	*	H	α-helix	trans	-65.7	-36.4	173.6	14.8	0	0	0	0	111.9	K269 P270 I276 N277	K269-T273 PolarHBondContact O-OG1 3.11Å; P270-T273 PolarHBondContact O-N 3.42Å; P270-T273 PolarHBondContact O-OG1 3.04Å; T273-I276 PolarHBondContact O-N 3.39Å; T273-N277 WeakPolarHBondContact O-CB 3.47Å; T273-N277 PolarHBondContact O-N 2.99Å; T273-N277 PolarHBondContact O-ND2 3.49Å
274	D	46.1	Very low	42.5	Very low	88 Å²	88	102.8 Å²	102.8	47%	0.471	56%	0.559	S	S	.	*	H	α-helix	trans	-69.6	-37.7	177.1	-72.6	-22.6	0	0	0	111.8	P270 L272 I276 N277 Q278	P270-D274 WeakPolarHBondContact O-CB 3.25Å; P270-D274 PolarHBondContact O-N 3.25Å; L272-D274 VanDerWaalsContact C-N 3.32Å; D274-I276 VanDerWaalsContact C-N 3.33Å; D274-I276 PolarHBondContact O-N 3.23Å; D274-N277 PolarHBondContact O-N 3.1Å; D274-Q278 WeakPolarHBondContact O-CB 3.42Å; D274-Q278 WeakPolarHBondContact O-CG 3.46Å; D274-Q278 PolarHBondContact O-N 2.89Å
275	L	44.8	Very low	42.6	Very low	103 Å²	103	101.8 Å²	101.8	54%	0.539	56%	0.562	S	S	.	*	H	α-helix	trans	-61.1	-44	172.1	-124.2	100.9	0	0	0	111.3	E271 L272 Q278 E279	E271-L275 PolarHBondContact O-N 3.27Å; L272-L275 PolarHBondContact O-N 3.1Å; L275-Q278 PolarHBondContact O-N 3.43Å; L275-E279 PolarHBondContact O-N 3.16Å
276	I	43.3	Very low	42.8	Very low	47 Å²	47	105.5 Å²	105.5	24%	0.241	57%	0.568	C	S	.	*	H	α-helix	trans	-63.9	-46.3	178.7	-70.4	167.6	0	0	0	110.7	L272 T273 D274 Q278 E279 F280	L272-I276 WeakPolarHBondContact O-CD1 3Å; L272-I276 VanDerWaalsContact O-CG1 3.25Å; L272-I276 WeakPolarHBondContact O-CG1 3.4Å; L272-I276 PolarHBondContact O-N 3.42Å; L272-I276 VanDerWaalsContact O-N 3.1Å; T273-I276 PolarHBondContact O-N 3.39Å; D274-I276 VanDerWaalsContact C-N 3.33Å; D274-I276 PolarHBondContact O-N 3.23Å; I276-Q278 PolarHBondContact O-N 2.75Å; I276-E279 PolarHBondContact O-N 3.46Å; I276-F280 HydrophobicContact CG2-CD2 3.48Å; I276-F280 VanDerWaalsContact CG2-CD2 3.48Å; I276-F280 HydrophobicContact CG2-CE2 3.37Å; I276-F280 WeakPolarHBondContact O-CD2 3.35Å; I276-F280 PolarHBondContact O-N 3.33Å
277	N	45.6	Very low	42.8	Very low	95 Å²	95	108.1 Å²	108.1	51%	0.508	58%	0.582	S	S	.	*	H	α-helix	trans	-65.7	-37	178.7	-76.3	-22.6	0	0	0	112.4	T273 D274 T281	T273-N277 WeakPolarHBondContact O-CB 3.47Å; T273-N277 PolarHBondContact O-N 2.99Å; T273-N277 PolarHBondContact O-ND2 3.49Å; D274-N277 PolarHBondContact O-N 3.1Å; N277-T281 PolarHBondContact O-N 3.25Å; N277-T281 VanDerWaalsContact O-N 3.1Å; N277-T281 PolarHBondContact O-OG1 3.06Å
278	Q	51.4	Low	43.2	Very low	128 Å²	128	110.2 Å²	110.2	60%	0.598	58%	0.577	S	S	*	*	H	α-helix	trans	-67.5	-36.9	174.5	-75.8	-173.3	8.6	0	0	112.4	D274 L275 I276 K282	D274-Q278 WeakPolarHBondContact O-CB 3.42Å; D274-Q278 WeakPolarHBondContact O-CG 3.46Å; D274-Q278 PolarHBondContact O-N 2.89Å; L275-Q278 PolarHBondContact O-N 3.43Å; I276-Q278 PolarHBondContact O-N 2.75Å; Q278-K282 PolarHBondContact O-N 3.01Å
279	E	48.3	Very low	43.2	Very low	65 Å²	65	110.7 Å²	110.7	30%	0.304	58%	0.575	S	S	.	*	H	α-helix	trans	-70.8	-41.4	174.4	-76.6	-162.6	156.6	0	0	112.5	L275 I276 T281 K282 V283	L275-E279 PolarHBondContact O-N 3.16Å; I276-E279 PolarHBondContact O-N 3.46Å; E279-T281 VanDerWaalsContact C-N 3.25Å; E279-T281 PolarHBondContact O-N 2.93Å; E279-K282 PolarHBondContact O-N 3.42Å; E279-K282 VanDerWaalsContact O-N 3.09Å; E279-V283 PolarHBondContact O-N 3.3Å
280	F	38.6	Very low	43.3	Very low	114 Å²	114	108.5 Å²	108.5	50%	0.5	57%	0.57	S	S	.	*	H	α-helix	trans	-57.7	-39.5	174.6	-88.8	-68.1	0	0	0	112.2	F241 I276 S284	F241-F280 HydrophobicContact CE2-CZ 4.37Å; F241-F280 HydrophobicContact CZ-CE1 4.28Å; F241-F280 AromaticContact CZ-CZ 3.97Å; F241-F280 HydrophobicContact CZ-CZ 3.97Å; I276-F280 HydrophobicContact CG2-CD2 3.48Å; I276-F280 VanDerWaalsContact CG2-CD2 3.48Å; I276-F280 HydrophobicContact CG2-CE2 3.37Å; I276-F280 WeakPolarHBondContact O-CD2 3.35Å; I276-F280 PolarHBondContact O-N 3.33Å; F280-S284 PolarHBondContact O-N 3.21Å
281	T	47.4	Very low	43.2	Very low	92 Å²	92	110.2 Å²	110.2	56%	0.564	57%	0.573	S	S	*	*	H	α-helix	trans	-69.5	-33.9	178.4	-45.9	0	0	0	0	111.8	N277 E279 C285	N277-T281 PolarHBondContact O-N 3.25Å; N277-T281 VanDerWaalsContact O-N 3.1Å; N277-T281 PolarHBondContact O-OG1 3.06Å; E279-T281 VanDerWaalsContact C-N 3.25Å; E279-T281 PolarHBondContact O-N 2.93Å; T281-C285 PolarHBondContact O-SG 3.04Å
282	K	45.6	Very low	43.1	Very low	153 Å²	153	107.3 Å²	107.3	67%	0.665	56%	0.563	S	S	*	*	H	α-helix	trans	-73.8	-35.3	178.2	-78.3	179.5	-179.2	172.1	0	113.5	Q278 E279	Q278-K282 PolarHBondContact O-N 3.01Å; E279-K282 PolarHBondContact O-N 3.42Å; E279-K282 VanDerWaalsContact O-N 3.09Å
283	V	40.5	Very low	43.4	Very low	89 Å²	89	108.6 Å²	108.6	54%	0.539	57%	0.57	S	S	.	*	H	α-helix	trans	-74.7	-37.1	179	179.3	0	0	0	0	111.1	E279 C285 K286	E279-V283 PolarHBondContact O-N 3.3Å; V283-C285 PolarHBondContact O-N 3.18Å; V283-K286 PolarHBondContact O-N 2.91Å
284	S	38.4	Very low	43.5	Very low	91 Å²	91	112.3 Å²	112.3	64%	0.636	59%	0.586	S	S	*	*	H	α-helix	trans	-69.9	-13	177.2	-166	0	0	0	0	114.3	F280	F280-S284 PolarHBondContact O-N 3.21Å
285	C	42.1	Very low	43.3	Very low	102 Å²	102	114.2 Å²	114.2	69%	0.689	60%	0.595	S	S	*	*	T	Hydrogen-bonded Turn	trans	-97.4	5.3	176.4	-69.8	0	0	0	0	114	T281 V283	T281-C285 PolarHBondContact O-SG 3.04Å; V283-C285 PolarHBondContact O-N 3.18Å
286	K	40.5	Very low	43.2	Very low	195 Å²	195	115.1 Å²	115.1	85%	0.848	60%	0.599	S	S	*	*			trans	-123.1	9.4	176.1	-78.4	-169.3	176.1	-176	0	114.7	V283	V283-K286 PolarHBondContact O-N 2.91Å
287	L	36.7	Very low	43.2	Very low	210 Å²	210	121.3 Å²	121.3	100%	1.099	63%	0.632	S	S	*	*			trans	-109.8	0	162.3	-72.2	169.8	0	0	0	108.4

Retrieved 287 of 287 residues in 61.4 ms (Link to these results)

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