A0A087Y1X4_POEFO Loading...

S-methyl-5'-thioadenosine phosphorylase

Catalyzes the reversible phosphorylation of S-methyl-5'-thioadenosine (MTA) to adenine and 5-methylthioribose-1-phosphate. Involved in the breakdown of MTA, a major by-product of polyamine biosynthesis. Responsible for the first step in the methionine salvage pathway after MTA has been generated from S-adenosylmethionine. Has broad substrate specificity with 6-aminopurine nucleosides as preferred substrates.

AlphaFold DB , UniProt , Accession A0A087Y1X4, Species POEFO (Poecilia formosa, Amazon molly), Gene MTAP, Length 280 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	39.3	Very low	75.9	Confident	242 Å²	242	68.7 Å²	68.7	100%	1.192	43%	0.427	S	S	*	.				0	120.7	0	-60.2	-179.5	-154.4	0	0	106.2	S3	M1-S3 PolarHBondContact O-N 3.19Å
2	A	40.3	Very low	77.8	Confident	102 Å²	102	63 Å²	63	84%	0.843	39%	0.391	S	S	*	.	P	Polyproline II helix	trans	-60.2	125.1	175.2	0	0	0	0	0	107.8	S4	A2-S4 PolarHBondContact O-N 3.33Å
3	S	47	Very low	78.7	Confident	114 Å²	114	58.2 Å²	58.2	80%	0.797	36%	0.361	S	S	*	.	P	Polyproline II helix	trans	-60.2	120.4	178.8	57.8	0	0	0	0	108.7	M1 V5	M1-S3 PolarHBondContact O-N 3.19Å; S3-V5 PolarHBondContact O-N 3.33Å
4	S	64.6	Low	78.4	Confident	80 Å²	80	54.2 Å²	54.2	56%	0.559	34%	0.338	S	S	*	.	P	Polyproline II helix	trans	-53.9	137.2	172.6	52	0	0	0	0	109.5	A2 P6	A2-S4 PolarHBondContact O-N 3.33Å; S4-P6 WeakPolarHBondContact O-CD 3.46Å
5	V	68.4	Low	77.6	Confident	53 Å²	53	52.5 Å²	52.5	32%	0.321	33%	0.329	S	S	.	.	P	Polyproline II helix	trans	-57	122.8	175.6	179.7	0	0	0	0	108.3	S3 V7 T84	S3-V5 PolarHBondContact O-N 3.33Å; V5-V7 PolarHBondContact O-N 2.99Å; V5-T84 HydrophobicContact CG1-CG2 4.27Å
6	P	86.4	Confident	76.6	Confident	107 Å²	107	52.4 Å²	52.4	70%	0.695	34%	0.34	S	S	*	.	P	Polyproline II helix	trans	-61.9	126.5	179.5	23.2	-31.3	0	0	0	109.7	S4	S4-P6 WeakPolarHBondContact O-CD 3.46Å
7	V	95.8	Very high	75.9	Confident	21 Å²	21	50.1 Å²	50.1	13%	0.127	33%	0.325	C	S	.	.	P	Polyproline II helix	trans	-83	119.4	-179.5	174.2	0	0	0	0	109.3	V5 I9 I255 W260	V5-V7 PolarHBondContact O-N 2.99Å; V7-I9 HydrophobicContact CG1-CD1 4.02Å; V7-I9 HydrophobicContact CG1-CG1 3.69Å; V7-I255 HydrophobicContact CG1-CG2 4.23Å; V7-W260 HydrophobicContact CG2-CG 4.33Å
8	K	98	Very high	75.5	Confident	35 Å²	35	49.2 Å²	49.2	15%	0.152	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	134.2	163.5	-175.8	-178.4	-71.7	-174.7	0	109.3	E51 V53 E81 T84 H85	K8-E51 WeakPolarHBondContact CA-O 3.25Å; K8-E51 HydrophobicContact CB-CB 4.41Å; K8-E51 WeakPolarHBondContact CE-OE2 3.26Å; K8-E51 HydrophobicContact CG-CB 3.98Å; K8-E51 IonicContact NZ-OE2 3.61Å; K8-V53 HydrophobicContact CD-CG2 4.04Å; K8-V53 HydrophobicContact CG-CG2 4.36Å; K8-E81 HydrophobicContact CD-CG 4.46Å; K8-E81 VanDerWaalsContact CD-O 3.22Å; K8-E81 WeakPolarHBondContact CD-O 3.32Å; K8-E81 PolarHBondContact NZ-O 3.15Å; K8-E81 IonicContact NZ-OE1 2.62Å; K8-E81 PolarHBondContact NZ-OE1 3.11Å; K8-T84 PolarHBondContact N-OG1 2.75Å; K8-T84 PolarHBondContact O-N 3.01Å; K8-T84 PolarHBondContact O-OG1 3.41Å; K8-H85 PolarHBondContact O-N 3.16Å
9	I	98.6	Very high	75.7	Confident	0 Å²	0	51.3 Å²	51.3	0%	0	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	118.7	-172.4	-54.2	-167.3	0	0	0	110.9	V7 I11 V50 E51 C52 V53 H85 V87 I252 I255	V7-I9 HydrophobicContact CG1-CD1 4.02Å; V7-I9 HydrophobicContact CG1-CG1 3.69Å; I9-I11 HydrophobicContact CG2-CG1 4.45Å; I9-V50 HydrophobicContact CD1-CG1 4.37Å; I9-V50 HydrophobicContact CG1-CG1 4.31Å; I9-E51 PolarHBondContact N-O 2.85Å; I9-C52 CarbonylContact O-C 3.52Å; I9-C52 WeakPolarHBondContact O-CA 3.47Å; I9-V53 PolarHBondContact O-N 3.1Å; I9-H85 HydrophobicContact CG1-CB 4.2Å; I9-H85 HydrophobicContact CG2-CB 4.32Å; I9-V87 HydrophobicContact CG2-CG2 4.12Å; I9-I252 HydrophobicContact CD1-CB 4.21Å; I9-I252 HydrophobicContact CD1-CG1 3.97Å; I9-I252 HydrophobicContact CD1-CG2 3.99Å; I9-I252 HydrophobicContact CG2-CD1 4.4Å; I9-I252 HydrophobicContact CG2-CG1 4.35Å; I9-I255 HydrophobicContact CD1-CB 4.04Å; I9-I255 HydrophobicContact CD1-CD1 4.28Å; I9-I255 HydrophobicContact CD1-CG2 3.71Å
10	G	98.5	Very high	75.7	Confident	0 Å²	0	51.5 Å²	51.5	0%	0	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	136.8	165.9	0	0	0	0	0	110.5	V53 H85 L86 V87	G10-V53 CarbonylContact C-O 3.48Å; G10-V53 VanDerWaalsContact CA-O 3.29Å; G10-V53 WeakPolarHBondContact CA-O 3.39Å; G10-H85 PolarHBondContact N-O 3.17Å; G10-L86 VanDerWaalsContact O-CA 3.31Å; G10-L86 WeakPolarHBondContact O-CA 3.5Å; G10-V87 PolarHBondContact O-N 3.21Å
11	I	98.4	Very high	76.1	Confident	2 Å²	2	54.2 Å²	54.2	1%	0.01	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	120.8	174.8	-55	170.5	0	0	0	107	I9 L23 I47 C52 V53 L54 L55 V87 L248 I252	I9-I11 HydrophobicContact CG2-CG1 4.45Å; I11-L23 HydrophobicContact CD1-CD2 4.49Å; I11-I47 HydrophobicContact CD1-CD1 3.85Å; I11-C52 HydrophobicContact CD1-CB 4.4Å; I11-V53 PolarHBondContact N-O 3.41Å; I11-L54 HydrophobicContact CB-CD1 3.97Å; I11-L54 HydrophobicContact CG2-CD1 3.78Å; I11-L54 CarbonylContact O-C 3.49Å; I11-L54 WeakPolarHBondContact O-CA 3.31Å; I11-L55 PolarHBondContact O-N 2.66Å; I11-V87 WeakPolarHBondContact CA-O 3.44Å; I11-L248 HydrophobicContact CG2-CD1 4.25Å; I11-I252 HydrophobicContact CD1-CD1 3.62Å; I11-I252 HydrophobicContact CG1-CD1 4.12Å
12	I	98.1	Very high	78.4	Confident	0 Å²	0	43.9 Å²	43.9	0%	0	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	107.9	174.1	-50.4	178	0	0	0	108.6	L55 R57 I75 L78 L86 V88 T89 E198	I12-L55 WeakPolarHBondContact CA-O 3.34Å; I12-R57 HydrophobicContact CG2-CB 3.86Å; I12-R57 HydrophobicContact CG2-CG 4.37Å; I12-R57 PolarHBondContact O-NH2 3.33Å; I12-I75 HydrophobicContact CD1-CD1 4.11Å; I12-L78 HydrophobicContact CD1-CD1 3.64Å; I12-L78 HydrophobicContact CG1-CD1 3.65Å; I12-L86 HydrophobicContact CD1-CD1 4.48Å; I12-V88 HydrophobicContact CB-CB 4.12Å; I12-V88 HydrophobicContact CB-CG1 3.65Å; I12-V88 HydrophobicContact CD1-CG1 4.04Å; I12-V88 HydrophobicContact CG1-CG1 3.91Å; I12-V88 WeakPolarHBondContact O-CA 3.5Å; I12-T89 PolarHBondContact O-N 3.02Å; I12-E198 HydrophobicContact CD1-CG 4.23Å
13	G	89.5	Confident	81	Confident	0 Å²	0	39.3 Å²	39.3	0%	0	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	127.7	-178.4	0	0	0	0	0	112.2	L17 L55 R57	G13-L17 WeakPolarHBondContact CA-O 3.39Å; G13-L55 PolarHBondContact N-O 2.9Å; G13-R57 VanDerWaalsContact O-CB 3.27Å; G13-R57 WeakPolarHBondContact O-CB 3.28Å; G13-R57 PolarHBondContact O-N 3.19Å
14	G	75.4	Confident	83.2	Confident	3 Å²	3	40.2 Å²	40.2	3%	0.031	24%	0.241	C	C	.	.			trans	-78.4	-179.5	163.8	0	0	0	0	0	112.3	G16 L17 R57 T89	G14-G16 PolarHBondContact O-N 3.25Å; G14-G16 VanDerWaalsContact O-N 3.12Å; G14-L17 PolarHBondContact O-N 2.81Å; G14-R57 VanDerWaalsContact CA-NH1 3.31Å; G14-T89 PolarHBondContact N-O 3.3Å; G14-T89 PolarHBondContact N-OG1 2.96Å; G14-T89 VanDerWaalsContact N-OG1 3.08Å
15	S	65.4	Low	84.7	Confident	29 Å²	29	39.9 Å²	39.9	20%	0.203	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	-49.2	116.8	179.5	-37.1	0	0	0	0	111.9	L17 H62 M237	S15-L17 VanDerWaalsContact C-N 3.27Å; S15-L17 PolarHBondContact O-N 3.18Å; S15-H62 PolarHBondContact OG-CE1 3.26Å; S15-M237 WeakPolarHBondContact O-CE 3.06Å
16	G	62.1	Low	86	Confident	50 Å²	50	42.9 Å²	42.9	52%	0.515	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	74.6	11.3	176.5	0	0	0	0	0	115.3	G14	G14-G16 PolarHBondContact O-N 3.25Å; G14-G16 VanDerWaalsContact O-N 3.12Å
17	L	64.8	Low	86.5	Confident	14 Å²	14	42 Å²	42	7%	0.073	25%	0.249	C	C	.	.			trans	-128.3	27.9	174.4	-73	177.9	0	0	0	111.8	G13 G14 S15 T89 M214 M237 A241 A244	G13-L17 WeakPolarHBondContact CA-O 3.39Å; G14-L17 PolarHBondContact O-N 2.81Å; S15-L17 VanDerWaalsContact C-N 3.27Å; S15-L17 PolarHBondContact O-N 3.18Å; L17-T89 HydrophobicContact CB-CG2 4.26Å; L17-T89 WeakPolarHBondContact CB-OG1 3.48Å; L17-T89 HydrophobicContact CD1-CG2 3.98Å; L17-M214 HydrophobicContact CD1-CE 4.23Å; L17-M237 HydrophobicContact CD1-CE 3.55Å; L17-M237 HydrophobicContact CG-CE 3.58Å; L17-A241 HydrophobicContact CD2-CB 3.69Å; L17-A241 WeakPolarHBondContact CD2-O 3.4Å; L17-A244 HydrophobicContact CD1-CB 3.87Å; L17-A244 HydrophobicContact CD2-CB 3.8Å
18	D	68.6	Low	86.6	Confident	33 Å²	33	45.3 Å²	45.3	18%	0.176	26%	0.263	C	S	.	.			trans	-116.2	22	-177.9	59.4	-29.5	0	0	0	112.6	P20 A56	D18-P20 VanDerWaalsContact O-CD 3.26Å; D18-P20 WeakPolarHBondContact O-CD 3.22Å; D18-P20 VanDerWaalsContact O-N 3.14Å; D18-A56 HydrophobicContact CB-CB 4.02Å
19	D	79.1	Confident	86.6	Confident	90 Å²	90	47.6 Å²	47.6	48%	0.481	27%	0.271	S	S	.	.			trans	-60.3	113	179.9	-176	-2.5	0	0	0	111.2	D21 I22	D19-D21 PolarHBondContact O-N 3.17Å; D19-D21 WeakPolarHBondContact OD1-CB 3.47Å; D19-D21 PolarHBondContact OD1-N 3.28Å; D19-I22 VanDerWaalsContact O-CG2 3.26Å; D19-I22 WeakPolarHBondContact O-CG2 3.48Å; D19-I22 PolarHBondContact O-N 3.35Å
20	P	76.2	Confident	86.6	Confident	54 Å²	54	55.2 Å²	55.2	35%	0.351	30%	0.301	S	S	.	.	G	3₁₀ helix	trans	-68	-16.7	-179.4	30.2	-35.9	0	0	0	112.7	D18 I22 L23 R26 L54	D18-P20 VanDerWaalsContact O-CD 3.26Å; D18-P20 WeakPolarHBondContact O-CD 3.22Å; D18-P20 VanDerWaalsContact O-N 3.14Å; P20-I22 PolarHBondContact O-N 3.47Å; P20-L23 PolarHBondContact O-N 3.09Å; P20-R26 WeakPolarHBondContact O-CD 3.18Å; P20-R26 PolarHBondContact O-NH1 3.42Å; P20-L54 HydrophobicContact CB-CD2 4.19Å
21	D	84.2	Confident	86.6	Confident	109 Å²	109	57 Å²	57	58%	0.583	31%	0.311	S	S	*	.	G	3₁₀ helix	trans	-68.2	-8.2	178.8	-71.4	-19.5	0	0	0	112.7	D19 L23 R26	D19-D21 PolarHBondContact O-N 3.17Å; D19-D21 WeakPolarHBondContact OD1-CB 3.47Å; D19-D21 PolarHBondContact OD1-N 3.28Å; D21-L23 PolarHBondContact O-N 3.13Å; D21-R26 IonicContact OD1-CZ 2.84Å; D21-R26 IonicContact OD1-NH1 3.21Å; D21-R26 PolarHBondContact OD1-NH1 2.7Å; D21-R26 IonicContact OD1-NH2 2.81Å; D21-R26 PolarHBondContact OD1-NH2 3.06Å
22	I	87.9	Confident	86.6	Confident	26 Å²	26	62.8 Å²	62.8	13%	0.133	34%	0.342	C	S	.	.	G	3₁₀ helix	trans	-62.9	-20.4	170.9	-159	174.3	0	0	0	113.1	D19 P20 I47 L54 L248 L249	D19-I22 VanDerWaalsContact O-CG2 3.26Å; D19-I22 WeakPolarHBondContact O-CG2 3.48Å; D19-I22 PolarHBondContact O-N 3.35Å; P20-I22 PolarHBondContact O-N 3.47Å; I22-I47 HydrophobicContact CD1-CD1 4.31Å; I22-I47 HydrophobicContact CG1-CD1 4.13Å; I22-I47 WeakPolarHBondContact O-CG1 3.35Å; I22-L54 HydrophobicContact CG2-CD2 4.43Å; I22-L248 HydrophobicContact CD1-CB 4.08Å; I22-L248 HydrophobicContact CD1-CD1 4.07Å; I22-L249 HydrophobicContact CD1-CD2 4.29Å; I22-L249 HydrophobicContact CD1-CG 4.24Å; I22-L249 HydrophobicContact CG1-CD2 3.58Å; I22-L249 HydrophobicContact CG1-CG 3.95Å
23	L	93.1	Very high	86.6	Confident	6 Å²	6	63.7 Å²	63.7	3%	0.031	35%	0.348	C	S	.	.	S	Bend	trans	-105.2	136.1	-176.6	-60.7	-173.4	0	0	0	112.4	I11 P20 D21 R26 I43 I47 C52 L54	I11-L23 HydrophobicContact CD1-CD2 4.49Å; P20-L23 PolarHBondContact O-N 3.09Å; D21-L23 PolarHBondContact O-N 3.13Å; L23-R26 HydrophobicContact CB-CG 3.82Å; L23-R26 VanDerWaalsContact O-CD 3.27Å; L23-R26 WeakPolarHBondContact O-CD 3.33Å; L23-R26 WeakPolarHBondContact O-CG 3.05Å; L23-I43 HydrophobicContact CD1-CG2 4.23Å; L23-I43 VanDerWaalsContact CD1-O 3.29Å; L23-I43 WeakPolarHBondContact CD1-O 3.23Å; L23-I47 HydrophobicContact CD2-CD1 3.88Å; L23-I47 HydrophobicContact CD2-CG1 3.68Å; L23-C52 HydrophobicContact CD2-CB 3.62Å; L23-L54 HydrophobicContact CD1-CB 3.79Å
24	E	94.7	Very high	87	Confident	132 Å²	132	66 Å²	66	62%	0.617	36%	0.363	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-86.5	149	167.4	-64.4	175.5	-161.1	0	0	111	G45 K46	E24-G45 CarbonylContact O-C 3.51Å; E24-G45 WeakPolarHBondContact O-CA 3.16Å; E24-K46 PolarHBondContact N-O 3.39Å; E24-K46 PolarHBondContact O-N 2.93Å
25	G	95.4	Very high	88.1	Confident	74 Å²	74	67.1 Å²	67.1	76%	0.763	37%	0.367	S	S	*	.	E	Extended strand (participates in β ladder)	trans	64.1	42.2	172.5	0	0	0	0	0	114.5
26	R	95.9	Very high	89.7	Confident	115 Å²	115	67.4 Å²	67.4	43%	0.434	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.8	136.8	-166.8	-60.3	177.6	-66.5	-176.5	-10	113.6	P20 D21 L23 I43 L44	P20-R26 WeakPolarHBondContact O-CD 3.18Å; P20-R26 PolarHBondContact O-NH1 3.42Å; D21-R26 IonicContact OD1-CZ 2.84Å; D21-R26 IonicContact OD1-NH1 3.21Å; D21-R26 PolarHBondContact OD1-NH1 2.7Å; D21-R26 IonicContact OD1-NH2 2.81Å; D21-R26 PolarHBondContact OD1-NH2 3.06Å; L23-R26 HydrophobicContact CB-CG 3.82Å; L23-R26 VanDerWaalsContact O-CD 3.27Å; L23-R26 WeakPolarHBondContact O-CD 3.33Å; L23-R26 WeakPolarHBondContact O-CG 3.05Å; R26-I43 HydrophobicContact CB-CG2 4.23Å; R26-I43 HydrophobicContact CG-CG2 4.36Å; R26-L44 CarbonylContact C-O 3.57Å; R26-L44 VanDerWaalsContact CA-O 3.25Å; R26-L44 WeakPolarHBondContact CA-O 3.27Å
27	T	97.6	Very high	91.4	Very high	90 Å²	90	71.9 Å²	71.9	55%	0.552	38%	0.379	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-131.8	128.4	169.6	-56.4	0	0	0	0	109.4	L44	T27-L44 PolarHBondContact N-O 3.34Å; T27-L44 PolarHBondContact O-N 3.3Å
28	E	97.4	Very high	93	Very high	90 Å²	90	71.9 Å²	71.9	42%	0.421	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	135.2	177.1	-175.9	168.5	-136.9	0	0	110.7	Y30 A41 I43 R60	E28-Y30 HydrophobicContact CG-CE2 4.19Å; E28-A41 HydrophobicContact CG-CB 3.47Å; E28-A41 VanDerWaalsContact CG-CB 3.47Å; E28-I43 HydrophobicContact CB-CD1 4.07Å; E28-I43 HydrophobicContact CG-CD1 3.82Å; E28-R60 IonicContact OE1-CZ 2.92Å; E28-R60 IonicContact OE1-NH1 3.14Å; E28-R60 PolarHBondContact OE1-NH1 2.8Å; E28-R60 IonicContact OE1-NH2 3.12Å; E28-R60 PolarHBondContact OE1-NH2 3.01Å
29	R	98	Very high	94.5	Very high	83 Å²	83	71.1 Å²	71.1	31%	0.313	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	112.8	179.7	-165.6	179.1	70.4	-174.7	7.6	111.9	V31 L42 L44 E81	R29-V31 HydrophobicContact CG-CG1 4.06Å; R29-L42 PolarHBondContact N-O 2.9Å; R29-L42 PolarHBondContact O-N 3.11Å; R29-L44 HydrophobicContact CB-CD1 3.76Å; R29-E81 IonicContact CZ-OE2 3.1Å; R29-E81 IonicContact NH1-OE1 3.5Å; R29-E81 IonicContact NH1-OE2 3.51Å; R29-E81 PolarHBondContact NH1-OE2 3.43Å; R29-E81 VanDerWaalsContact NH2-CG 3.27Å; R29-E81 IonicContact NH2-OE1 3.66Å; R29-E81 IonicContact NH2-OE2 3.82Å; R29-E81 PolarHBondContact NH2-OE2 3.23Å
30	Y	98.4	Very high	95.4	Very high	160 Å²	160	68.2 Å²	68.2	63%	0.627	36%	0.362	S	S	*	.			trans	-77.5	136.3	167.1	-69	-85.6	0	0	0	109.9	E28 A41	E28-Y30 HydrophobicContact CG-CE2 4.19Å; Y30-A41 HydrophobicContact CD1-CB 3.86Å; Y30-A41 HydrophobicContact CD2-CB 4.08Å; Y30-A41 HydrophobicContact CE1-CB 3.69Å; Y30-A41 HydrophobicContact CE2-CB 3.91Å; Y30-A41 HydrophobicContact CG-CB 4.06Å
31	V	98.4	Very high	96.4	Very high	36 Å²	36	65.7 Å²	65.7	22%	0.218	35%	0.345	C	S	.	.			trans	-136.2	151.6	179.8	-58.3	0	0	0	0	110.1	R29 P38 L42 A77	R29-V31 HydrophobicContact CG-CG1 4.06Å; V31-P38 HydrophobicContact CG2-CG 3.72Å; V31-P38 VanDerWaalsContact O-CD 3.23Å; V31-P38 WeakPolarHBondContact O-CD 3.25Å; V31-L42 HydrophobicContact CG1-CD1 4.16Å; V31-L42 HydrophobicContact CG2-CD1 3.96Å; V31-L42 HydrophobicContact CG2-CG 4.22Å; V31-A77 HydrophobicContact CG2-CB 3.84Å
32	D	98.1	Very high	97.1	Very high	125 Å²	125	60.5 Å²	60.5	67%	0.668	32%	0.318	S	S	*	.			trans	-107.1	148.9	168	-66.5	-71.5	0	0	0	109	K37	D32-K37 VanDerWaalsContact OD1-CE 3.28Å; D32-K37 WeakPolarHBondContact OD1-CE 3.31Å; D32-K37 WeakPolarHBondContact OD1-CG 3.24Å
33	T	98.6	Very high	97.5	Very high	19 Å²	19	60.3 Å²	60.3	12%	0.117	32%	0.317	C	S	.	.	B	Isolated β-bridge	trans	-126.8	165.9	177.3	79.9	0	0	0	0	110.5	Y35 G36 P38 A73 W76 A77	T33-Y35 PolarHBondContact O-N 2.81Å; T33-Y35 PolarHBondContact OG1-N 2.82Å; T33-Y35 VanDerWaalsContact OG1-N 3.16Å; T33-G36 WeakPolarHBondContact CB-O 3.45Å; T33-G36 PolarHBondContact N-O 2.95Å; T33-G36 PolarHBondContact O-N 3.3Å; T33-G36 PolarHBondContact OG1-N 3.26Å; T33-G36 PolarHBondContact OG1-O 2.9Å; T33-P38 HydrophobicContact CG2-CG 4.22Å; T33-A73 HydrophobicContact CG2-CB 4.23Å; T33-A73 WeakPolarHBondContact OG1-CA 3.44Å; T33-A73 WeakPolarHBondContact OG1-CB 3.48Å; T33-W76 HydrophobicContact CG2-CB 4.42Å; T33-W76 HydrophobicContact CG2-CG 4.47Å; T33-A77 HydrophobicContact CG2-CB 3.89Å
34	P	98.1	Very high	97.8	Very high	49 Å²	49	61.6 Å²	61.6	32%	0.318	32%	0.323	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.1	-14.8	172.9	-22.2	34.2	0	0	0	114.7	W76 T127	P34-W76 HydrophobicContact CG-CZ2 3.85Å; P34-T127 WeakPolarHBondContact CB-O 3.36Å; P34-T127 PolarHBondContact O-OG1 2.87Å
35	Y	98.4	Very high	97.9	Very high	26 Å²	26	55.9 Å²	55.9	10%	0.102	30%	0.3	C	S	.	.	T	Hydrogen-bonded Turn	trans	-103.1	11.4	177	-52.3	-84.5	0	0	0	112.7	T33 N70 Q72 W76 L121 P129	T33-Y35 PolarHBondContact O-N 2.81Å; T33-Y35 PolarHBondContact OG1-N 2.82Å; T33-Y35 VanDerWaalsContact OG1-N 3.16Å; Y35-N70 PolarHBondContact O-ND2 3.04Å; Y35-Q72 HydrophobicContact CD1-CB 3.7Å; Y35-Q72 HydrophobicContact CD1-CG 4.1Å; Y35-Q72 HydrophobicContact CD2-CB 4.09Å; Y35-Q72 HydrophobicContact CE1-CB 4.37Å; Y35-Q72 HydrophobicContact CE1-CG 4.49Å; Y35-Q72 HydrophobicContact CG-CB 3.54Å; Y35-Q72 HydrophobicContact CG-CG 4.43Å; Y35-W76 HydrophobicContact CD2-CB 4.1Å; Y35-W76 HydrophobicContact CD2-CD2 4.27Å; Y35-W76 HydrophobicContact CD2-CE3 4.36Å; Y35-W76 HydrophobicContact CD2-CG 4.18Å; Y35-W76 HydrophobicContact CE2-CB 4.3Å; Y35-W76 AromaticContact CE2-CD2 3.78Å; Y35-W76 HydrophobicContact CE2-CD2 3.78Å; Y35-W76 AromaticContact CE2-CE3 3.48Å; Y35-W76 HydrophobicContact CE2-CE3 3.48Å; Y35-W76 VanDerWaalsContact CE2-CE3 3.48Å; Y35-W76 HydrophobicContact CE2-CG 4.16Å; Y35-W76 AromaticContact CE2-CZ3 3.99Å; Y35-W76 HydrophobicContact CE2-CZ3 3.99Å; Y35-L121 HydrophobicContact CD2-CD2 4.41Å; Y35-L121 HydrophobicContact CE1-CD2 4.39Å; Y35-L121 HydrophobicContact CE2-CD2 3.79Å; Y35-L121 WeakPolarHBondContact OH-CA 3.36Å; Y35-L121 WeakPolarHBondContact OH-CB 3.47Å; Y35-L121 PolarHBondContact OH-O 2.62Å; Y35-P129 WeakPolarHBondContact OH-CD 3.39Å
36	G	98.3	Very high	98	Very high	34 Å²	34	57 Å²	57	35%	0.351	28%	0.284	S	S	.	.	B	Isolated β-bridge	trans	94.3	-157.2	-175.1	0	0	0	0	0	113.1	T33	T33-G36 WeakPolarHBondContact CB-O 3.45Å; T33-G36 PolarHBondContact N-O 2.95Å; T33-G36 PolarHBondContact O-N 3.3Å; T33-G36 PolarHBondContact OG1-N 3.26Å; T33-G36 PolarHBondContact OG1-O 2.9Å
37	K	98.6	Very high	98	Very high	144 Å²	144	51.8 Å²	51.8	63%	0.626	26%	0.264	S	S	*	.			trans	-83.5	141.1	-174.9	-65.6	-172.5	177.2	-170.7	0	111.6	D32 N70 A73	D32-K37 VanDerWaalsContact OD1-CE 3.28Å; D32-K37 WeakPolarHBondContact OD1-CE 3.31Å; D32-K37 WeakPolarHBondContact OD1-CG 3.24Å; K37-N70 PolarHBondContact O-ND2 2.85Å; K37-A73 WeakPolarHBondContact O-CB 3.45Å
38	P	98.8	Very high	97.7	Very high	15 Å²	15	53.4 Å²	53.4	10%	0.097	26%	0.264	C	S	.	.			trans	-60.4	167.7	163.4	-19.2	33.2	0	0	0	111.2	V31 T33 D40 L55 N74 A77	V31-P38 HydrophobicContact CG2-CG 3.72Å; V31-P38 VanDerWaalsContact O-CD 3.23Å; V31-P38 WeakPolarHBondContact O-CD 3.25Å; T33-P38 HydrophobicContact CG2-CG 4.22Å; P38-D40 PolarHBondContact O-N 3.29Å; P38-L55 HydrophobicContact CB-CD1 4.32Å; P38-L55 HydrophobicContact CB-CD2 4.42Å; P38-N74 VanDerWaalsContact CA-OD1 3.23Å; P38-N74 WeakPolarHBondContact CA-OD1 3.37Å; P38-N74 WeakPolarHBondContact CB-OD1 3.42Å; P38-A77 HydrophobicContact CB-CB 4.49Å; P38-A77 HydrophobicContact CG-CB 3.65Å
39	S	98.4	Very high	97.5	Very high	16 Å²	16	56.5 Å²	56.5	11%	0.112	28%	0.283	C	S	.	.	S	Bend	trans	-57.1	-31	-179.6	-65.9	0	0	0	0	114	A56 R57 I64 N74	S39-A56 WeakPolarHBondContact CB-O 3.44Å; S39-R57 WeakPolarHBondContact CB-O 3.34Å; S39-R57 PolarHBondContact OG-O 2.88Å; S39-I64 WeakPolarHBondContact O-CD1 3.04Å; S39-N74 PolarHBondContact N-OD1 3.47Å; S39-N74 PolarHBondContact OG-ND2 2.88Å; S39-N74 PolarHBondContact OG-OD1 3.04Å
40	D	97.9	Very high	97.4	Very high	30 Å²	30	53 Å²	53	16%	0.16	27%	0.271	C	S	.	.	S	Bend	trans	-158.5	-176.3	177.3	-146.9	-35.6	0	0	0	110	P38 L55 R60	P38-D40 PolarHBondContact O-N 3.29Å; D40-L55 HydrophobicContact CB-CD1 4.37Å; D40-R60 IonicContact OD1-CZ 4Å; D40-R60 IonicContact OD1-NE 3.49Å; D40-R60 PolarHBondContact OD1-NE 2.95Å; D40-R60 IonicContact OD1-NH2 2.7Å; D40-R60 PolarHBondContact OD1-NH2 3.07Å; D40-R60 WeakPolarHBondContact OD2-CB 3.26Å; D40-R60 WeakPolarHBondContact OD2-CG 3.29Å; D40-R60 IonicContact OD2-CZ 3.55Å; D40-R60 PolarHBondContact OD2-N 3.09Å; D40-R60 IonicContact OD2-NE 3.73Å; D40-R60 PolarHBondContact OD2-NE 3.33Å; D40-R60 IonicContact OD2-NH2 2.66Å
41	A	97.9	Very high	97.4	Very high	1 Å²	1	50 Å²	50	1%	0.008	26%	0.263	C	S	.	.			trans	-58	146.6	166.4	0	0	0	0	0	111.7	E28 Y30 I43	E28-A41 HydrophobicContact CG-CB 3.47Å; E28-A41 VanDerWaalsContact CG-CB 3.47Å; Y30-A41 HydrophobicContact CD1-CB 3.86Å; Y30-A41 HydrophobicContact CD2-CB 4.08Å; Y30-A41 HydrophobicContact CE1-CB 3.69Å; Y30-A41 HydrophobicContact CE2-CB 3.91Å; Y30-A41 HydrophobicContact CG-CB 4.06Å; A41-I43 HydrophobicContact CB-CD1 4.42Å
42	L	98.5	Very high	97.4	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	128.8	165.2	-58.1	180	0	0	0	108.4	R29 V31 L44 V53 L55 A77 L78 E81	R29-L42 PolarHBondContact N-O 2.9Å; R29-L42 PolarHBondContact O-N 3.11Å; V31-L42 HydrophobicContact CG1-CD1 4.16Å; V31-L42 HydrophobicContact CG2-CD1 3.96Å; V31-L42 HydrophobicContact CG2-CG 4.22Å; L42-L44 HydrophobicContact CB-CD1 3.92Å; L42-V53 HydrophobicContact CB-CG1 3.82Å; L42-V53 HydrophobicContact CD1-CG1 4.24Å; L42-V53 HydrophobicContact CD2-CG1 4.1Å; L42-V53 HydrophobicContact CG-CG1 4.28Å; L42-L55 HydrophobicContact CD2-CB 4.24Å; L42-L55 HydrophobicContact CD2-CD1 4.2Å; L42-L55 HydrophobicContact CD2-CD2 4.23Å; L42-L55 HydrophobicContact CD2-CG 4.46Å; L42-A77 HydrophobicContact CD1-CB 4.3Å; L42-A77 HydrophobicContact CD2-CB 4.37Å; L42-L78 HydrophobicContact CD2-CD2 4.06Å; L42-E81 HydrophobicContact CD1-CB 4.46Å
43	I	98	Very high	97.4	Very high	22 Å²	22	42.5 Å²	42.5	11%	0.113	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	103.8	172.6	-48	-56.4	0	0	0	107.8	L23 R26 E28 A41 V53 L54	L23-I43 HydrophobicContact CD1-CG2 4.23Å; L23-I43 VanDerWaalsContact CD1-O 3.29Å; L23-I43 WeakPolarHBondContact CD1-O 3.23Å; R26-I43 HydrophobicContact CB-CG2 4.23Å; R26-I43 HydrophobicContact CG-CG2 4.36Å; E28-I43 HydrophobicContact CB-CD1 4.07Å; E28-I43 HydrophobicContact CG-CD1 3.82Å; A41-I43 HydrophobicContact CB-CD1 4.42Å; I43-V53 WeakPolarHBondContact O-CA 3.43Å; I43-L54 HydrophobicContact CB-CB 4.22Å; I43-L54 PolarHBondContact N-O 2.73Å; I43-L54 PolarHBondContact O-N 3.42Å
44	L	98.3	Very high	97.4	Very high	33 Å²	33	41.9 Å²	41.9	17%	0.173	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	142.9	177.4	-69.1	74.3	0	0	0	108.9	R26 T27 R29 L42 E81	R26-L44 CarbonylContact C-O 3.57Å; R26-L44 VanDerWaalsContact CA-O 3.25Å; R26-L44 WeakPolarHBondContact CA-O 3.27Å; T27-L44 PolarHBondContact N-O 3.34Å; T27-L44 PolarHBondContact O-N 3.3Å; R29-L44 HydrophobicContact CB-CD1 3.76Å; L42-L44 HydrophobicContact CB-CD1 3.92Å; L44-E81 WeakPolarHBondContact CD2-OE1 3.35Å
45	G	97.3	Very high	97.4	Very high	12 Å²	12	39.6 Å²	39.6	12%	0.124	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-179.8	-159.3	176.1	0	0	0	0	0	111.4	E24 C52	E24-G45 CarbonylContact O-C 3.51Å; E24-G45 WeakPolarHBondContact O-CA 3.16Å; G45-C52 PolarHBondContact N-O 2.84Å; G45-C52 PolarHBondContact O-N 2.99Å
46	K	97.3	Very high	97.3	Very high	98 Å²	98	38.8 Å²	38.8	43%	0.426	20%	0.201	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	148.6	179.9	-62.2	-176.5	179.6	-179.2	0	112.3	E24 K48 V50	E24-K46 PolarHBondContact N-O 3.39Å; E24-K46 PolarHBondContact O-N 2.93Å; K46-K48 WeakPolarHBondContact CB-O 3.41Å; K46-V50 VanDerWaalsContact CA-O 3.23Å; K46-V50 WeakPolarHBondContact CA-O 3.21Å
47	I	95.8	Very high	97.3	Very high	4 Å²	4	37.2 Å²	37.2	2%	0.021	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	111.4	160.9	-69.9	169.6	0	0	0	106.2	I11 I22 L23 N49 V50 L249 I252 P253	I11-I47 HydrophobicContact CD1-CD1 3.85Å; I22-I47 HydrophobicContact CD1-CD1 4.31Å; I22-I47 HydrophobicContact CG1-CD1 4.13Å; I22-I47 WeakPolarHBondContact O-CG1 3.35Å; L23-I47 HydrophobicContact CD2-CD1 3.88Å; L23-I47 HydrophobicContact CD2-CG1 3.68Å; I47-N49 PolarHBondContact O-N 2.89Å; I47-V50 PolarHBondContact N-O 3.36Å; I47-V50 VanDerWaalsContact N-O 3.09Å; I47-V50 PolarHBondContact O-N 3.43Å; I47-L249 HydrophobicContact CD1-CD2 4.22Å; I47-L249 HydrophobicContact CG1-CD2 4.17Å; I47-L249 HydrophobicContact CG2-CD2 3.86Å; I47-I252 HydrophobicContact CB-CG2 3.97Å; I47-I252 HydrophobicContact CD1-CD1 3.47Å; I47-I252 VanDerWaalsContact CD1-CD1 3.47Å; I47-I252 HydrophobicContact CD1-CG2 4.49Å; I47-I252 HydrophobicContact CG2-CB 4.4Å; I47-I252 HydrophobicContact CG2-CG2 4.11Å; I47-P253 HydrophobicContact CG2-CG 4.35Å
48	K	92.1	Very high	97.2	Very high	124 Å²	124	30.9 Å²	30.9	54%	0.539	16%	0.157	S	C	.	.	T	Hydrogen-bonded Turn	trans	52.8	-119.4	-164.3	-51.6	-174.9	-171.8	172.4	0	109.4	K46 P253	K46-K48 WeakPolarHBondContact CB-O 3.41Å; K48-P253 HydrophobicContact CB-CG 4.46Å; K48-P253 HydrophobicContact CD-CB 4.12Å; K48-P253 HydrophobicContact CD-CG 3.57Å; K48-P253 HydrophobicContact CG-CG 4.08Å
49	N	92.1	Very high	97.1	Very high	156 Å²	156	30.3 Å²	30.3	83%	0.834	15%	0.154	S	C	*	.	T	Hydrogen-bonded Turn	trans	-98.6	8.7	-179.6	-65.8	-34.7	0	0	0	114.1	I47	I47-N49 PolarHBondContact O-N 2.89Å
50	V	97	Very high	96.8	Very high	8 Å²	8	35.2 Å²	35.2	5%	0.048	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	126.1	-175.1	-168.8	0	0	0	0	110.5	I9 K46 I47 C52 I252 S256	I9-V50 HydrophobicContact CD1-CG1 4.37Å; I9-V50 HydrophobicContact CG1-CG1 4.31Å; K46-V50 VanDerWaalsContact CA-O 3.23Å; K46-V50 WeakPolarHBondContact CA-O 3.21Å; I47-V50 PolarHBondContact N-O 3.36Å; I47-V50 VanDerWaalsContact N-O 3.09Å; I47-V50 PolarHBondContact O-N 3.43Å; V50-C52 PolarHBondContact O-N 2.92Å; V50-C52 PolarHBondContact O-SG 3.43Å; V50-C52 VanDerWaalsContact O-SG 3.39Å; V50-I252 HydrophobicContact CB-CG2 3.78Å; V50-I252 HydrophobicContact CG1-CG2 3.86Å; V50-I252 HydrophobicContact CG2-CG2 4.08Å; V50-S256 VanDerWaalsContact CG2-CB 3.42Å; V50-S256 VanDerWaalsContact CG2-OG 3.22Å; V50-S256 WeakPolarHBondContact CG2-OG 3.28Å
51	E	97.9	Very high	96.5	Very high	98 Å²	98	41.3 Å²	41.3	46%	0.458	20%	0.198	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.8	127.3	174.6	-62.8	-166.3	144.4	0	0	111	K8 I9	K8-E51 WeakPolarHBondContact CA-O 3.25Å; K8-E51 HydrophobicContact CB-CB 4.41Å; K8-E51 WeakPolarHBondContact CE-OE2 3.26Å; K8-E51 HydrophobicContact CG-CB 3.98Å; K8-E51 IonicContact NZ-OE2 3.61Å; I9-E51 PolarHBondContact N-O 2.85Å
52	C	98.3	Very high	96.3	Very high	2 Å²	2	45.8 Å²	45.8	1%	0.014	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	151.7	-177.7	-62.4	0	0	0	0	111.3	I9 I11 L23 G45 V50	I9-C52 CarbonylContact O-C 3.52Å; I9-C52 WeakPolarHBondContact O-CA 3.47Å; I11-C52 HydrophobicContact CD1-CB 4.4Å; L23-C52 HydrophobicContact CD2-CB 3.62Å; G45-C52 PolarHBondContact N-O 2.84Å; G45-C52 PolarHBondContact O-N 2.99Å; V50-C52 PolarHBondContact O-N 2.92Å; V50-C52 PolarHBondContact O-SG 3.43Å; V50-C52 VanDerWaalsContact O-SG 3.39Å
53	V	98.4	Very high	96.2	Very high	2 Å²	2	50.8 Å²	50.8	1%	0.012	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	109.6	174.9	-170	0	0	0	0	108.6	K8 I9 G10 I11 L42 I43 L78 E81	K8-V53 HydrophobicContact CD-CG2 4.04Å; K8-V53 HydrophobicContact CG-CG2 4.36Å; I9-V53 PolarHBondContact O-N 3.1Å; G10-V53 CarbonylContact C-O 3.48Å; G10-V53 VanDerWaalsContact CA-O 3.29Å; G10-V53 WeakPolarHBondContact CA-O 3.39Å; I11-V53 PolarHBondContact N-O 3.41Å; L42-V53 HydrophobicContact CB-CG1 3.82Å; L42-V53 HydrophobicContact CD1-CG1 4.24Å; L42-V53 HydrophobicContact CD2-CG1 4.1Å; L42-V53 HydrophobicContact CG-CG1 4.28Å; I43-V53 WeakPolarHBondContact O-CA 3.43Å; V53-L78 HydrophobicContact CB-CD2 3.91Å; V53-L78 HydrophobicContact CG1-CD2 3.65Å; V53-E81 HydrophobicContact CG1-CG 4.46Å; V53-E81 HydrophobicContact CG2-CG 3.7Å
54	L	98	Very high	96.2	Very high	6 Å²	6	51.7 Å²	51.7	3%	0.031	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	139.2	177.1	174.3	70.9	0	0	0	110.5	I11 P20 I22 L23 I43	I11-L54 HydrophobicContact CB-CD1 3.97Å; I11-L54 HydrophobicContact CG2-CD1 3.78Å; I11-L54 CarbonylContact O-C 3.49Å; I11-L54 WeakPolarHBondContact O-CA 3.31Å; P20-L54 HydrophobicContact CB-CD2 4.19Å; I22-L54 HydrophobicContact CG2-CD2 4.43Å; L23-L54 HydrophobicContact CD1-CB 3.79Å; I43-L54 HydrophobicContact CB-CB 4.22Å; I43-L54 PolarHBondContact N-O 2.73Å; I43-L54 PolarHBondContact O-N 3.42Å
55	L	98.2	Very high	96.2	Very high	1 Å²	1	53.8 Å²	53.8	1%	0.005	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	125.7	172.8	176.8	59.8	0	0	0	110.1	I11 I12 G13 P38 D40 L42 R57 N74 L78	I11-L55 PolarHBondContact O-N 2.66Å; I12-L55 WeakPolarHBondContact CA-O 3.34Å; G13-L55 PolarHBondContact N-O 2.9Å; P38-L55 HydrophobicContact CB-CD1 4.32Å; P38-L55 HydrophobicContact CB-CD2 4.42Å; D40-L55 HydrophobicContact CB-CD1 4.37Å; L42-L55 HydrophobicContact CD2-CB 4.24Å; L42-L55 HydrophobicContact CD2-CD1 4.2Å; L42-L55 HydrophobicContact CD2-CD2 4.23Å; L42-L55 HydrophobicContact CD2-CG 4.46Å; L55-R57 PolarHBondContact O-N 3.39Å; L55-N74 HydrophobicContact CD2-CB 3.68Å; L55-L78 HydrophobicContact CD2-CD1 4.21Å; L55-L78 HydrophobicContact CD2-CG 4.48Å
56	A	97.2	Very high	96.2	Very high	9 Å²	9	54.1 Å²	54.1	7%	0.074	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	116	174.2	0	0	0	0	0	110.2	D18 S39 H58 G59	D18-A56 HydrophobicContact CB-CB 4.02Å; S39-A56 WeakPolarHBondContact CB-O 3.44Å; A56-H58 VanDerWaalsContact C-N 3.27Å; A56-H58 PolarHBondContact O-N 2.69Å; A56-G59 PolarHBondContact O-N 2.98Å
57	R	98.1	Very high	96.3	Very high	1 Å²	1	50.2 Å²	50.2	0%	0.004	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.7	-37.7	-173.3	-173	175.2	-67.5	101.5	-2.9	113.3	I12 G13 G14 S39 L55 V69 T89 E198	I12-R57 HydrophobicContact CG2-CB 3.86Å; I12-R57 HydrophobicContact CG2-CG 4.37Å; I12-R57 PolarHBondContact O-NH2 3.33Å; G13-R57 VanDerWaalsContact O-CB 3.27Å; G13-R57 WeakPolarHBondContact O-CB 3.28Å; G13-R57 PolarHBondContact O-N 3.19Å; G14-R57 VanDerWaalsContact CA-NH1 3.31Å; S39-R57 WeakPolarHBondContact CB-O 3.34Å; S39-R57 PolarHBondContact OG-O 2.88Å; L55-R57 PolarHBondContact O-N 3.39Å; R57-V69 HydrophobicContact CG-CG1 3.94Å; R57-V69 HydrophobicContact CG-CG2 4.25Å; R57-T89 PolarHBondContact NH1-O 3.07Å; R57-E198 IonicContact CZ-OE1 3.01Å; R57-E198 IonicContact CZ-OE2 3.43Å; R57-E198 IonicContact NE-OE1 3.78Å; R57-E198 IonicContact NE-OE2 3.92Å; R57-E198 PolarHBondContact NE-OE2 3.49Å; R57-E198 IonicContact NH2-OE1 2.9Å; R57-E198 PolarHBondContact NH2-OE1 3.26Å; R57-E198 IonicContact NH2-OE2 2.72Å; R57-E198 PolarHBondContact NH2-OE2 3.01Å
58	H	96.9	Very high	96.4	Very high	10 Å²	10	55.2 Å²	55.2	5%	0.046	28%	0.275	C	S	.	.	T	Hydrogen-bonded Turn	trans	-102.7	12.5	-175.2	-61.2	-76.1	0	0	0	113	A56 H62 T63 I64	A56-H58 VanDerWaalsContact C-N 3.27Å; A56-H58 PolarHBondContact O-N 2.69Å; H58-H62 AromaticContact CD2-CE1 3.44Å; H58-H62 PolarHBondContact CD2-CE1 3.33Å; H58-H62 VanDerWaalsContact CD2-CE1 3.44Å; H58-H62 AromaticContact CD2-ND1 3.98Å; H58-H62 AromaticContact CG-CE1 3.4Å; H58-H62 VanDerWaalsContact CG-CE1 3.4Å; H58-H62 AromaticContact CG-ND1 3.83Å; H58-H62 CarbonylContact O-C 3.59Å; H58-H62 WeakPolarHBondContact O-CA 3.22Å; H58-T63 PolarHBondContact O-N 3Å; H58-I64 PolarHBondContact ND1-O 3.34Å; H58-I64 PolarHBondContact O-N 3.43Å; H58-I64 VanDerWaalsContact O-N 3.11Å
59	G	95.8	Very high	96.7	Very high	3 Å²	3	49.6 Å²	49.6	3%	0.031	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	73.1	152	-161	0	0	0	0	0	111.3	A56 Q61 H62	A56-G59 PolarHBondContact O-N 2.98Å; G59-Q61 PolarHBondContact O-N 2.91Å; G59-H62 PolarHBondContact O-N 3.3Å
60	R	92.4	Very high	97.1	Very high	120 Å²	120	44.3 Å²	44.3	45%	0.453	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.2	-16.8	-176.2	75.8	-170.8	71.1	-174.1	-1.1	114.6	E28 D40	E28-R60 IonicContact OE1-CZ 2.92Å; E28-R60 IonicContact OE1-NH1 3.14Å; E28-R60 PolarHBondContact OE1-NH1 2.8Å; E28-R60 IonicContact OE1-NH2 3.12Å; E28-R60 PolarHBondContact OE1-NH2 3.01Å; D40-R60 IonicContact OD1-CZ 4Å; D40-R60 IonicContact OD1-NE 3.49Å; D40-R60 PolarHBondContact OD1-NE 2.95Å; D40-R60 IonicContact OD1-NH2 2.7Å; D40-R60 PolarHBondContact OD1-NH2 3.07Å; D40-R60 WeakPolarHBondContact OD2-CB 3.26Å; D40-R60 WeakPolarHBondContact OD2-CG 3.29Å; D40-R60 IonicContact OD2-CZ 3.55Å; D40-R60 PolarHBondContact OD2-N 3.09Å; D40-R60 IonicContact OD2-NE 3.73Å; D40-R60 PolarHBondContact OD2-NE 3.33Å; D40-R60 IonicContact OD2-NH2 2.66Å
61	Q	92.1	Very high	97.1	Very high	158 Å²	158	44.3 Å²	44.3	74%	0.738	22%	0.222	S	C	*	.	T	Hydrogen-bonded Turn	trans	-100.5	6	176.2	-64.9	-178.1	-5.2	0	0	112.7	G59 T63	G59-Q61 PolarHBondContact O-N 2.91Å; Q61-T63 VanDerWaalsContact C-N 3.34Å; Q61-T63 HydrophobicContact CB-CG2 3.86Å; Q61-T63 PolarHBondContact O-N 3.33Å
62	H	93.2	Very high	97.2	Very high	94 Å²	94	40.5 Å²	40.5	44%	0.435	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.6	42.2	-179.1	-152.2	83.8	0	0	0	113.9	S15 H58 G59	S15-H62 PolarHBondContact OG-CE1 3.26Å; H58-H62 AromaticContact CD2-CE1 3.44Å; H58-H62 PolarHBondContact CD2-CE1 3.33Å; H58-H62 VanDerWaalsContact CD2-CE1 3.44Å; H58-H62 AromaticContact CD2-ND1 3.98Å; H58-H62 AromaticContact CG-CE1 3.4Å; H58-H62 VanDerWaalsContact CG-CE1 3.4Å; H58-H62 AromaticContact CG-ND1 3.83Å; H58-H62 CarbonylContact O-C 3.59Å; H58-H62 WeakPolarHBondContact O-CA 3.22Å; G59-H62 PolarHBondContact O-N 3.3Å
63	T	96.2	Very high	97.2	Very high	105 Å²	105	40.4 Å²	40.4	64%	0.644	20%	0.204	S	C	*	.			trans	-94.1	-7.7	-173.6	51.3	0	0	0	0	114	H58 Q61	H58-T63 PolarHBondContact O-N 3Å; Q61-T63 VanDerWaalsContact C-N 3.34Å; Q61-T63 HydrophobicContact CB-CG2 3.86Å; Q61-T63 PolarHBondContact O-N 3.33Å
64	I	97.8	Very high	97.2	Very high	41 Å²	41	40.3 Å²	40.3	21%	0.21	20%	0.203	C	C	.	.	S	Bend	trans	-110.3	112.3	-175.4	-51.8	170.2	0	0	0	110	S39 H58 N68 V69	S39-I64 WeakPolarHBondContact O-CD1 3.04Å; H58-I64 PolarHBondContact ND1-O 3.34Å; H58-I64 PolarHBondContact O-N 3.43Å; H58-I64 VanDerWaalsContact O-N 3.11Å; I64-N68 HydrophobicContact CG2-CB 4.09Å; I64-N68 WeakPolarHBondContact CG2-O 3.36Å; I64-V69 HydrophobicContact CG2-CG2 3.94Å
65	M	97.6	Very high	97.3	Very high	78 Å²	78	40 Å²	40	38%	0.384	20%	0.202	S	C	.	.			trans	-66.6	154	176.1	71.3	170.6	178.6	0	0	112.2	S67 N68 V69 P172	M65-S67 VanDerWaalsContact C-N 3.3Å; M65-S67 PolarHBondContact O-N 3.23Å; M65-S67 VanDerWaalsContact O-N 3.11Å; M65-N68 VanDerWaalsContact CE-CG 3.5Å; M65-N68 WeakPolarHBondContact CE-ND2 3.43Å; M65-N68 VanDerWaalsContact CE-OD1 3.27Å; M65-N68 WeakPolarHBondContact CE-OD1 3.18Å; M65-N68 HydrophobicContact CG-CB 4.08Å; M65-N68 PolarHBondContact O-N 3.33Å; M65-V69 PolarHBondContact O-N 3.18Å; M65-P172 HydrophobicContact SD-CB 4.28Å; M65-P172 HydrophobicContact SD-CG 4.04Å
66	P	98.3	Very high	97.3	Very high	18 Å²	18	41.9 Å²	41.9	12%	0.117	21%	0.209	C	C	.	.	G	3₁₀ helix	trans	-52.7	-37.6	-173.4	-28.5	34.4	0	0	0	115.9	N68 Y71 M193 T194	P66-N68 VanDerWaalsContact C-N 3.26Å; P66-N68 PolarHBondContact O-N 2.88Å; P66-Y71 WeakPolarHBondContact O-CE2 3.33Å; P66-Y71 PolarHBondContact O-OH 3.22Å; P66-M193 HydrophobicContact CB-CB 3.59Å; P66-M193 WeakPolarHBondContact CB-O 3.21Å; P66-M193 HydrophobicContact CG-CB 3.67Å; P66-M193 HydrophobicContact CG-CG 4.41Å; P66-M193 HydrophobicContact CG-SD 3.89Å; P66-T194 HydrophobicContact CB-CG2 4.1Å; P66-T194 HydrophobicContact CG-CG2 4.42Å
67	S	98.6	Very high	97.4	Very high	17 Å²	17	41.6 Å²	41.6	12%	0.119	21%	0.207	C	C	.	.	G	3₁₀ helix	trans	-64.7	-28.1	176.7	-57.4	0	0	0	0	114	M65 E170	M65-S67 VanDerWaalsContact C-N 3.3Å; M65-S67 PolarHBondContact O-N 3.23Å; M65-S67 VanDerWaalsContact O-N 3.11Å; S67-E170 WeakPolarHBondContact CA-OE1 3.39Å; S67-E170 WeakPolarHBondContact CB-OE1 3.26Å; S67-E170 PolarHBondContact OG-O 3.16Å; S67-E170 VanDerWaalsContact OG-O 3.1Å; S67-E170 PolarHBondContact OG-OE1 3.01Å
68	N	98.6	Very high	97.4	Very high	108 Å²	108	41.6 Å²	41.6	58%	0.578	21%	0.206	S	C	*	.	G	3₁₀ helix	trans	-101.6	0.1	-174.3	-72.5	8.5	0	0	0	112.8	I64 M65 P66 N70	I64-N68 HydrophobicContact CG2-CB 4.09Å; I64-N68 WeakPolarHBondContact CG2-O 3.36Å; M65-N68 VanDerWaalsContact CE-CG 3.5Å; M65-N68 WeakPolarHBondContact CE-ND2 3.43Å; M65-N68 VanDerWaalsContact CE-OD1 3.27Å; M65-N68 WeakPolarHBondContact CE-OD1 3.18Å; M65-N68 HydrophobicContact CG-CB 4.08Å; M65-N68 PolarHBondContact O-N 3.33Å; P66-N68 VanDerWaalsContact C-N 3.26Å; P66-N68 PolarHBondContact O-N 2.88Å; N68-N70 PolarHBondContact O-N 2.83Å
69	V	98.8	Very high	97.5	Very high	7 Å²	7	45.9 Å²	45.9	4%	0.042	22%	0.222	C	C	.	.			trans	-62.1	128.8	172	172.5	0	0	0	0	108.4	R57 I64 M65 Y71	R57-V69 HydrophobicContact CG-CG1 3.94Å; R57-V69 HydrophobicContact CG-CG2 4.25Å; I64-V69 HydrophobicContact CG2-CG2 3.94Å; M65-V69 PolarHBondContact O-N 3.18Å; V69-Y71 VanDerWaalsContact C-N 3.29Å; V69-Y71 HydrophobicContact CB-CD2 4.19Å; V69-Y71 HydrophobicContact CB-CE1 4.09Å; V69-Y71 HydrophobicContact CB-CE2 3.68Å; V69-Y71 HydrophobicContact CG1-CD1 3.84Å; V69-Y71 HydrophobicContact CG1-CD2 4.19Å; V69-Y71 HydrophobicContact CG1-CE1 3.7Å; V69-Y71 HydrophobicContact CG1-CE2 4.04Å; V69-Y71 HydrophobicContact CG1-CG 4.08Å; V69-Y71 WeakPolarHBondContact O-CD2 3.28Å; V69-Y71 WeakPolarHBondContact O-CE2 3.39Å; V69-Y71 PolarHBondContact O-N 3.16Å
70	N	98.8	Very high	97.6	Very high	45 Å²	45	50.9 Å²	50.9	24%	0.241	25%	0.245	C	C	.	.			trans	-82.9	77	177.4	-167.4	-16	0	0	0	110.5	Y35 K37 N68 Q72 A73 N74	Y35-N70 PolarHBondContact O-ND2 3.04Å; K37-N70 PolarHBondContact O-ND2 2.85Å; N68-N70 PolarHBondContact O-N 2.83Å; N70-Q72 VanDerWaalsContact C-N 3.3Å; N70-Q72 PolarHBondContact O-N 2.91Å; N70-A73 HydrophobicContact CB-CB 4.1Å; N70-A73 WeakPolarHBondContact ND2-CB 3.33Å; N70-A73 PolarHBondContact O-N 2.92Å; N70-A73 WeakPolarHBondContact OD1-CB 3.33Å; N70-A73 PolarHBondContact OD1-N 2.83Å; N70-A73 VanDerWaalsContact OD1-N 3.1Å; N70-N74 VanDerWaalsContact O-CG 3.24Å; N70-N74 PolarHBondContact O-N 3.4Å; N70-N74 PolarHBondContact O-OD1 3.48Å
71	Y	98.9	Very high	97.9	Very high	8 Å²	8	46.8 Å²	46.8	3%	0.031	23%	0.231	C	C	.	.	H	α-helix	trans	-60.1	-37.8	-176.6	-60.1	-84.4	0	0	0	112.7	P66 V69 N74 I75 R117 P197 E198	P66-Y71 WeakPolarHBondContact O-CE2 3.33Å; P66-Y71 PolarHBondContact O-OH 3.22Å; V69-Y71 VanDerWaalsContact C-N 3.29Å; V69-Y71 HydrophobicContact CB-CD2 4.19Å; V69-Y71 HydrophobicContact CB-CE1 4.09Å; V69-Y71 HydrophobicContact CB-CE2 3.68Å; V69-Y71 HydrophobicContact CG1-CD1 3.84Å; V69-Y71 HydrophobicContact CG1-CD2 4.19Å; V69-Y71 HydrophobicContact CG1-CE1 3.7Å; V69-Y71 HydrophobicContact CG1-CE2 4.04Å; V69-Y71 HydrophobicContact CG1-CG 4.08Å; V69-Y71 WeakPolarHBondContact O-CD2 3.28Å; V69-Y71 WeakPolarHBondContact O-CE2 3.39Å; V69-Y71 PolarHBondContact O-N 3.16Å; Y71-N74 PolarHBondContact O-N 3.13Å; Y71-I75 WeakPolarHBondContact O-CG1 3.21Å; Y71-I75 PolarHBondContact O-N 3.2Å; Y71-R117 PolarHBondContact OH-NH1 3.22Å; Y71-P197 HydrophobicContact CD2-CG 3.86Å; Y71-P197 HydrophobicContact CG-CG 3.91Å; Y71-E198 HydrophobicContact CD1-CB 3.9Å; Y71-E198 HydrophobicContact CD1-CG 4.4Å; Y71-E198 HydrophobicContact CE1-CB 4.32Å
72	Q	98.9	Very high	98.2	Very high	18 Å²	18	41.1 Å²	41.1	8%	0.084	22%	0.215	C	C	.	.	H	α-helix	trans	-61.2	-49.6	176.9	-68.4	171	-60.9	0	0	110.7	Y35 N70 N74 W76 P118 T120 L121 D123 L201	Y35-Q72 HydrophobicContact CD1-CB 3.7Å; Y35-Q72 HydrophobicContact CD1-CG 4.1Å; Y35-Q72 HydrophobicContact CD2-CB 4.09Å; Y35-Q72 HydrophobicContact CE1-CB 4.37Å; Y35-Q72 HydrophobicContact CE1-CG 4.49Å; Y35-Q72 HydrophobicContact CG-CB 3.54Å; Y35-Q72 HydrophobicContact CG-CG 4.43Å; N70-Q72 VanDerWaalsContact C-N 3.3Å; N70-Q72 PolarHBondContact O-N 2.91Å; Q72-N74 PolarHBondContact O-N 3.48Å; Q72-W76 WeakPolarHBondContact O-CB 3.36Å; Q72-W76 PolarHBondContact O-N 3.13Å; Q72-P118 HydrophobicContact CG-CB 4.42Å; Q72-T120 PolarHBondContact NE2-O 3.33Å; Q72-L121 HydrophobicContact CB-CD2 4.18Å; Q72-L121 HydrophobicContact CG-CD2 4.31Å; Q72-D123 PolarHBondContact NE2-OD2 3.31Å; Q72-L201 HydrophobicContact CG-CD1 4.07Å; Q72-L201 HydrophobicContact CG-CD2 4.09Å
73	A	98.9	Very high	98.4	Very high	0 Å²	0	37 Å²	37	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-64.8	-40	178.3	0	0	0	0	0	112.7	T33 K37 N70 W76 A77	T33-A73 HydrophobicContact CG2-CB 4.23Å; T33-A73 WeakPolarHBondContact OG1-CA 3.44Å; T33-A73 WeakPolarHBondContact OG1-CB 3.48Å; K37-A73 WeakPolarHBondContact O-CB 3.45Å; N70-A73 HydrophobicContact CB-CB 4.1Å; N70-A73 WeakPolarHBondContact ND2-CB 3.33Å; N70-A73 PolarHBondContact O-N 2.92Å; N70-A73 WeakPolarHBondContact OD1-CB 3.33Å; N70-A73 PolarHBondContact OD1-N 2.83Å; N70-A73 VanDerWaalsContact OD1-N 3.1Å; A73-W76 PolarHBondContact O-N 3.35Å; A73-A77 WeakPolarHBondContact O-CB 3.41Å; A73-A77 PolarHBondContact O-N 3.39Å
74	N	98.9	Very high	98.5	Very high	0 Å²	0	33 Å²	33	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-60	-51.5	178.3	-71.5	-7.6	0	0	0	111.7	P38 S39 L55 N70 Y71 Q72 L78	P38-N74 VanDerWaalsContact CA-OD1 3.23Å; P38-N74 WeakPolarHBondContact CA-OD1 3.37Å; P38-N74 WeakPolarHBondContact CB-OD1 3.42Å; S39-N74 PolarHBondContact N-OD1 3.47Å; S39-N74 PolarHBondContact OG-ND2 2.88Å; S39-N74 PolarHBondContact OG-OD1 3.04Å; L55-N74 HydrophobicContact CD2-CB 3.68Å; N70-N74 VanDerWaalsContact O-CG 3.24Å; N70-N74 PolarHBondContact O-N 3.4Å; N70-N74 PolarHBondContact O-OD1 3.48Å; Y71-N74 PolarHBondContact O-N 3.13Å; Q72-N74 PolarHBondContact O-N 3.48Å; N74-L78 WeakPolarHBondContact O-CG 3.13Å; N74-L78 PolarHBondContact O-N 2.72Å
75	I	98.9	Very high	98.6	Very high	0 Å²	0	31 Å²	31	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-67.2	-42.8	-179.7	-64.1	-59.6	0	0	0	111.1	I12 Y71 L78 R79 L86 E198 L201 A202 A205 L207	I12-I75 HydrophobicContact CD1-CD1 4.11Å; Y71-I75 WeakPolarHBondContact O-CG1 3.21Å; Y71-I75 PolarHBondContact O-N 3.2Å; I75-L78 PolarHBondContact O-N 2.88Å; I75-R79 WeakPolarHBondContact O-CB 3.48Å; I75-R79 PolarHBondContact O-N 2.98Å; I75-L86 HydrophobicContact CD1-CD1 3.42Å; I75-L86 VanDerWaalsContact CD1-CD1 3.42Å; I75-E198 HydrophobicContact CD1-CG 3.94Å; I75-L201 HydrophobicContact CB-CB 4.2Å; I75-L201 HydrophobicContact CG1-CB 3.89Å; I75-L201 HydrophobicContact CG2-CB 4.22Å; I75-A202 HydrophobicContact CD1-CB 4.1Å; I75-A205 HydrophobicContact CG2-CB 3.73Å; I75-L207 HydrophobicContact CG2-CD1 4.32Å
76	W	98.9	Very high	98.6	Very high	39 Å²	39	27.3 Å²	27.3	15%	0.148	14%	0.144	C	C	.	.	H	α-helix	trans	-59.7	-48.5	177.6	-173.3	-83.6	0	0	0	111.7	T33 P34 Y35 Q72 A73 L78 R79 E80 L121 P129	T33-W76 HydrophobicContact CG2-CB 4.42Å; T33-W76 HydrophobicContact CG2-CG 4.47Å; P34-W76 HydrophobicContact CG-CZ2 3.85Å; Y35-W76 HydrophobicContact CD2-CB 4.1Å; Y35-W76 HydrophobicContact CD2-CD2 4.27Å; Y35-W76 HydrophobicContact CD2-CE3 4.36Å; Y35-W76 HydrophobicContact CD2-CG 4.18Å; Y35-W76 HydrophobicContact CE2-CB 4.3Å; Y35-W76 AromaticContact CE2-CD2 3.78Å; Y35-W76 HydrophobicContact CE2-CD2 3.78Å; Y35-W76 AromaticContact CE2-CE3 3.48Å; Y35-W76 HydrophobicContact CE2-CE3 3.48Å; Y35-W76 VanDerWaalsContact CE2-CE3 3.48Å; Y35-W76 HydrophobicContact CE2-CG 4.16Å; Y35-W76 AromaticContact CE2-CZ3 3.99Å; Y35-W76 HydrophobicContact CE2-CZ3 3.99Å; Q72-W76 WeakPolarHBondContact O-CB 3.36Å; Q72-W76 PolarHBondContact O-N 3.13Å; A73-W76 PolarHBondContact O-N 3.35Å; W76-L78 VanDerWaalsContact C-N 3.32Å; W76-L78 PolarHBondContact O-N 3.07Å; W76-R79 WeakPolarHBondContact O-CB 3.36Å; W76-R79 PolarHBondContact O-N 3.36Å; W76-E80 HydrophobicContact CG-CG 4.37Å; W76-E80 VanDerWaalsContact NE1-CG 3.28Å; W76-E80 WeakPolarHBondContact O-CG 3.43Å; W76-E80 PolarHBondContact O-N 3.19Å; W76-L121 HydrophobicContact CE3-CD1 4.36Å; W76-L121 HydrophobicContact CE3-CD2 4.38Å; W76-P129 HydrophobicContact CH2-CG 3.89Å; W76-P129 HydrophobicContact CZ3-CG 3.74Å
77	A	98.9	Very high	98.6	Very high	4 Å²	4	26.4 Å²	26.4	3%	0.033	14%	0.138	C	C	.	.	H	α-helix	trans	-59.4	-41.4	-180	0	0	0	0	0	112.6	V31 T33 P38 L42 A73 E81	V31-A77 HydrophobicContact CG2-CB 3.84Å; T33-A77 HydrophobicContact CG2-CB 3.89Å; P38-A77 HydrophobicContact CB-CB 4.49Å; P38-A77 HydrophobicContact CG-CB 3.65Å; L42-A77 HydrophobicContact CD1-CB 4.3Å; L42-A77 HydrophobicContact CD2-CB 4.37Å; A73-A77 WeakPolarHBondContact O-CB 3.41Å; A73-A77 PolarHBondContact O-N 3.39Å; A77-E81 WeakPolarHBondContact O-CB 3.31Å; A77-E81 PolarHBondContact O-N 2.9Å
78	L	98.8	Very high	98.6	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-70.3	-38.4	178	-67.6	167	0	0	0	112	I12 L42 V53 L55 N74 I75 W76 E81 C83 L86	I12-L78 HydrophobicContact CD1-CD1 3.64Å; I12-L78 HydrophobicContact CG1-CD1 3.65Å; L42-L78 HydrophobicContact CD2-CD2 4.06Å; V53-L78 HydrophobicContact CB-CD2 3.91Å; V53-L78 HydrophobicContact CG1-CD2 3.65Å; L55-L78 HydrophobicContact CD2-CD1 4.21Å; L55-L78 HydrophobicContact CD2-CG 4.48Å; N74-L78 WeakPolarHBondContact O-CG 3.13Å; N74-L78 PolarHBondContact O-N 2.72Å; I75-L78 PolarHBondContact O-N 2.88Å; W76-L78 VanDerWaalsContact C-N 3.32Å; W76-L78 PolarHBondContact O-N 3.07Å; L78-E81 PolarHBondContact O-N 3.29Å; L78-C83 HydrophobicContact CB-CB 4.48Å; L78-C83 WeakPolarHBondContact O-CB 3.46Å; L78-C83 PolarHBondContact O-N 3.28Å; L78-C83 VanDerWaalsContact O-N 3.08Å; L78-C83 PolarHBondContact O-SG 2.78Å; L78-L86 HydrophobicContact CB-CD2 3.96Å; L78-L86 HydrophobicContact CD1-CD2 3.74Å; L78-L86 HydrophobicContact CG-CD2 4.37Å
79	R	98.2	Very high	98.5	Very high	100 Å²	100	20.6 Å²	20.6	38%	0.377	11%	0.105	S	C	.	.	H	α-helix	trans	-60.5	-50.3	172.6	179	-169.6	-179.7	-108.2	9.6	111.3	I75 W76 E81 G82 A205 L207	I75-R79 WeakPolarHBondContact O-CB 3.48Å; I75-R79 PolarHBondContact O-N 2.98Å; W76-R79 WeakPolarHBondContact O-CB 3.36Å; W76-R79 PolarHBondContact O-N 3.36Å; R79-E81 PolarHBondContact O-N 2.91Å; R79-G82 WeakPolarHBondContact O-CA 3.12Å; R79-G82 PolarHBondContact O-N 3.36Å; R79-A205 HydrophobicContact CB-CB 4.42Å; R79-A205 HydrophobicContact CG-CB 4.39Å; R79-L207 HydrophobicContact CB-CD1 4.3Å
80	E	98.4	Very high	98.5	Very high	109 Å²	109	20.4 Å²	20.4	51%	0.509	11%	0.105	S	C	.	.	H	α-helix	trans	-65.5	-28.5	-179.3	-69.4	-53.4	116.1	0	0	112.2	W76 G82	W76-E80 HydrophobicContact CG-CG 4.37Å; W76-E80 VanDerWaalsContact NE1-CG 3.28Å; W76-E80 WeakPolarHBondContact O-CG 3.43Å; W76-E80 PolarHBondContact O-N 3.19Å; E80-G82 PolarHBondContact O-N 3.12Å; E80-G82 VanDerWaalsContact O-N 3.15Å
81	E	98.3	Very high	98.3	Very high	33 Å²	33	19.2 Å²	19.2	15%	0.154	10%	0.101	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.6	1.9	171.4	-172.6	39.2	-158.4	0	0	114	K8 R29 L42 L44 V53 A77 L78 R79	K8-E81 HydrophobicContact CD-CG 4.46Å; K8-E81 VanDerWaalsContact CD-O 3.22Å; K8-E81 WeakPolarHBondContact CD-O 3.32Å; K8-E81 PolarHBondContact NZ-O 3.15Å; K8-E81 IonicContact NZ-OE1 2.62Å; K8-E81 PolarHBondContact NZ-OE1 3.11Å; R29-E81 IonicContact CZ-OE2 3.1Å; R29-E81 IonicContact NH1-OE1 3.5Å; R29-E81 IonicContact NH1-OE2 3.51Å; R29-E81 PolarHBondContact NH1-OE2 3.43Å; R29-E81 VanDerWaalsContact NH2-CG 3.27Å; R29-E81 IonicContact NH2-OE1 3.66Å; R29-E81 IonicContact NH2-OE2 3.82Å; R29-E81 PolarHBondContact NH2-OE2 3.23Å; L42-E81 HydrophobicContact CD1-CB 4.46Å; L44-E81 WeakPolarHBondContact CD2-OE1 3.35Å; V53-E81 HydrophobicContact CG1-CG 4.46Å; V53-E81 HydrophobicContact CG2-CG 3.7Å; A77-E81 WeakPolarHBondContact O-CB 3.31Å; A77-E81 PolarHBondContact O-N 2.9Å; L78-E81 PolarHBondContact O-N 3.29Å; R79-E81 PolarHBondContact O-N 2.91Å
82	G	97.7	Very high	98.2	Very high	40 Å²	40	19 Å²	19	41%	0.412	10%	0.1	S	C	.	.	T	Hydrogen-bonded Turn	trans	82.1	18.9	175.7	0	0	0	0	0	113.3	R79 E80 T84	R79-G82 WeakPolarHBondContact O-CA 3.12Å; R79-G82 PolarHBondContact O-N 3.36Å; E80-G82 PolarHBondContact O-N 3.12Å; E80-G82 VanDerWaalsContact O-N 3.15Å; G82-T84 PolarHBondContact O-N 2.81Å
83	C	98.6	Very high	98.2	Very high	7 Å²	7	18.4 Å²	18.4	5%	0.047	10%	0.099	C	C	.	.			trans	-59.5	140.9	171.9	-63.3	0	0	0	0	109.8	L78 L86 L207	L78-C83 HydrophobicContact CB-CB 4.48Å; L78-C83 WeakPolarHBondContact O-CB 3.46Å; L78-C83 PolarHBondContact O-N 3.28Å; L78-C83 VanDerWaalsContact O-N 3.08Å; L78-C83 PolarHBondContact O-SG 2.78Å; C83-L86 HydrophobicContact CB-CD2 4.34Å; C83-L207 WeakPolarHBondContact O-CD2 3.22Å
84	T	98.4	Very high	98.1	Very high	20 Å²	20	18.4 Å²	18.4	12%	0.123	10%	0.099	C	C	.	.	S	Bend	trans	-106.6	-27.3	175.3	53.6	0	0	0	0	111.2	V5 K8 G82 C208	V5-T84 HydrophobicContact CG1-CG2 4.27Å; K8-T84 PolarHBondContact N-OG1 2.75Å; K8-T84 PolarHBondContact O-N 3.01Å; K8-T84 PolarHBondContact O-OG1 3.41Å; G82-T84 PolarHBondContact O-N 2.81Å; T84-C208 PolarHBondContact O-N 3.07Å
85	H	98.8	Very high	98.1	Very high	0 Å²	0	18.4 Å²	18.4	0%	0	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	147.9	-178.9	-62.6	72.7	0	0	0	109.4	K8 I9 G10 C208 W260	K8-H85 PolarHBondContact O-N 3.16Å; I9-H85 HydrophobicContact CG1-CB 4.2Å; I9-H85 HydrophobicContact CG2-CB 4.32Å; G10-H85 PolarHBondContact N-O 3.17Å; H85-C208 CarbonylContact C-O 3.57Å; H85-C208 VanDerWaalsContact CA-O 3.25Å; H85-C208 WeakPolarHBondContact CA-O 3.25Å; H85-C208 HydrophobicContact CB-CB 4.33Å; H85-C208 WeakPolarHBondContact CD2-CB 3.45Å; H85-W260 AromaticContact CE1-CD1 3.99Å; H85-W260 AromaticContact CE1-CD2 3.51Å; H85-W260 AromaticContact CE1-CE2 3.83Å; H85-W260 AromaticContact CE1-CE3 3.88Å; H85-W260 AromaticContact CE1-CG 3.65Å; H85-W260 AromaticContact NE2-CD2 3.16Å; H85-W260 AromaticContact NE2-CE2 3.4Å; H85-W260 AromaticContact NE2-CE3 3.16Å; H85-W260 AromaticContact NE2-CG 3.83Å; H85-W260 AromaticContact NE2-CH2 3.63Å; H85-W260 AromaticContact NE2-CZ2 3.67Å; H85-W260 AromaticContact NE2-CZ3 3.37Å; H85-W260 WeakPolarHBondContact NE2-CZ3 3.13Å
86	L	98.8	Very high	98.1	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	120.2	165	-61.3	-175.5	0	0	0	107.8	G10 I12 I75 L78 C83 V88 A202 L207 C208 Y209 A210	G10-L86 VanDerWaalsContact O-CA 3.31Å; G10-L86 WeakPolarHBondContact O-CA 3.5Å; I12-L86 HydrophobicContact CD1-CD1 4.48Å; I75-L86 HydrophobicContact CD1-CD1 3.42Å; I75-L86 VanDerWaalsContact CD1-CD1 3.42Å; L78-L86 HydrophobicContact CB-CD2 3.96Å; L78-L86 HydrophobicContact CD1-CD2 3.74Å; L78-L86 HydrophobicContact CG-CD2 4.37Å; C83-L86 HydrophobicContact CB-CD2 4.34Å; L86-V88 HydrophobicContact CB-CG1 4.46Å; L86-A202 HydrophobicContact CD1-CB 3.96Å; L86-L207 HydrophobicContact CD1-CD1 3.65Å; L86-L207 HydrophobicContact CD2-CD1 4.37Å; L86-L207 HydrophobicContact CG-CB 4.42Å; L86-L207 HydrophobicContact CG-CD1 3.89Å; L86-C208 PolarHBondContact N-O 3.07Å; L86-Y209 HydrophobicContact CB-CD2 3.77Å; L86-Y209 HydrophobicContact CD1-CD2 4.1Å; L86-Y209 WeakPolarHBondContact O-CA 3.4Å; L86-A210 PolarHBondContact O-N 2.86Å
87	V	98.4	Very high	98	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	114.4	170.8	-173.7	0	0	0	0	107.5	I9 G10 I11 T145 L149 A210 I212 L248 I255	I9-V87 HydrophobicContact CG2-CG2 4.12Å; G10-V87 PolarHBondContact O-N 3.21Å; I11-V87 WeakPolarHBondContact CA-O 3.44Å; V87-T145 HydrophobicContact CG2-CG2 4.02Å; V87-L149 HydrophobicContact CG1-CD1 4.19Å; V87-L149 HydrophobicContact CG1-CD2 4.11Å; V87-A210 WeakPolarHBondContact CA-O 3.18Å; V87-I212 HydrophobicContact CG1-CD1 4.07Å; V87-I212 HydrophobicContact CG1-CG1 4.38Å; V87-L248 HydrophobicContact CB-CD2 4.1Å; V87-L248 HydrophobicContact CG1-CD2 3.5Å; V87-I255 HydrophobicContact CG2-CD1 4.21Å
88	V	98.3	Very high	98	Very high	1 Å²	1	29 Å²	29	1%	0.006	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	157.1	-170.6	-48.9	0	0	0	0	111.5	I12 L86 Y209 A210 I212	I12-V88 HydrophobicContact CB-CB 4.12Å; I12-V88 HydrophobicContact CB-CG1 3.65Å; I12-V88 HydrophobicContact CD1-CG1 4.04Å; I12-V88 HydrophobicContact CG1-CG1 3.91Å; I12-V88 WeakPolarHBondContact O-CA 3.5Å; L86-V88 HydrophobicContact CB-CG1 4.46Å; V88-Y209 HydrophobicContact CB-CE2 4.46Å; V88-Y209 HydrophobicContact CG1-CD2 4.3Å; V88-Y209 HydrophobicContact CG1-CE2 3.58Å; V88-Y209 HydrophobicContact CG2-CE1 4.4Å; V88-Y209 HydrophobicContact CG2-CE2 4.01Å; V88-Y209 WeakPolarHBondContact CG2-OH 3.42Å; V88-A210 PolarHBondContact N-O 2.94Å; V88-I212 PolarHBondContact O-N 2.92Å
89	T	97.1	Very high	98	Very high	1 Å²	1	29.3 Å²	29.3	1%	0.006	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	145.9	171.6	60.4	0	0	0	0	110.7	I12 G14 L17 R57 I212 A244 L248	I12-T89 PolarHBondContact O-N 3.02Å; G14-T89 PolarHBondContact N-O 3.3Å; G14-T89 PolarHBondContact N-OG1 2.96Å; G14-T89 VanDerWaalsContact N-OG1 3.08Å; L17-T89 HydrophobicContact CB-CG2 4.26Å; L17-T89 WeakPolarHBondContact CB-OG1 3.48Å; L17-T89 HydrophobicContact CD1-CG2 3.98Å; R57-T89 PolarHBondContact NH1-O 3.07Å; T89-I212 WeakPolarHBondContact CA-O 3.44Å; T89-I212 HydrophobicContact CG2-CB 4.46Å; T89-A244 HydrophobicContact CG2-CB 4.33Å; T89-L248 HydrophobicContact CG2-CD1 4Å
90	T	96.9	Very high	97.9	Very high	4 Å²	4	29 Å²	29	3%	0.025	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.3	132.2	177.8	-174.7	0	0	0	0	110.7	M166 N192 T194 I212 A213 M214	T90-M166 HydrophobicContact CG2-CE 4.14Å; T90-N192 PolarHBondContact OG1-ND2 3.44Å; T90-T194 PolarHBondContact OG1-OG1 3.17Å; T90-I212 PolarHBondContact N-O 3.12Å; T90-I212 VanDerWaalsContact N-O 3.11Å; T90-A213 HydrophobicContact CG2-CB 3.76Å; T90-A213 CarbonylContact O-C 3.5Å; T90-A213 WeakPolarHBondContact O-CA 3.37Å; T90-M214 PolarHBondContact O-N 2.99Å
91	A	95.1	Very high	97.8	Very high	20 Å²	20	26.3 Å²	26.3	17%	0.165	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	142.3	165	0	0	0	0	0	109.2	T216 V233 M237	A91-T216 HydrophobicContact CB-CG2 3.93Å; A91-V233 HydrophobicContact CB-CG1 4.45Å; A91-M237 HydrophobicContact CB-CE 4.09Å; A91-M237 HydrophobicContact CB-CG 4.42Å; A91-M237 HydrophobicContact CB-SD 3.87Å
92	C	97.3	Very high	97.6	Very high	3 Å²	3	24.8 Å²	24.8	2%	0.02	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.8	152.9	178.4	60.2	0	0	0	0	112.8	M166 V190 I191 N192 M214 A215 T216	C92-M166 HydrophobicContact CB-CE 3.75Å; C92-M166 HydrophobicContact CB-SD 4.25Å; C92-V190 HydrophobicContact CB-CB 4.16Å; C92-I191 CarbonylContact C-O 3.44Å; C92-I191 WeakPolarHBondContact CA-O 3.21Å; C92-I191 WeakPolarHBondContact CB-O 3.36Å; C92-N192 HydrophobicContact CB-CB 4.12Å; C92-M214 PolarHBondContact N-O 3.42Å; C92-M214 VanDerWaalsContact SG-C 3.56Å; C92-M214 PolarHBondContact SG-O 2.85Å; C92-M214 VanDerWaalsContact SG-O 3.38Å; C92-A215 CarbonylContact O-C 3.58Å; C92-A215 VanDerWaalsContact O-CA 3.26Å; C92-A215 WeakPolarHBondContact O-CA 3.25Å; C92-T216 PolarHBondContact O-N 3.25Å; C92-T216 PolarHBondContact O-OG1 2.87Å
93	G	97.9	Very high	97.6	Very high	6 Å²	6	23.2 Å²	23.2	6%	0.062	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	142.8	164.4	0	0	0	0	0	110.2	V190 I191 D217	G93-V190 CarbonylContact O-C 3.51Å; G93-V190 VanDerWaalsContact O-CA 3.25Å; G93-V190 WeakPolarHBondContact O-CA 3.31Å; G93-I191 PolarHBondContact N-O 3.05Å; G93-I191 WeakPolarHBondContact O-CG2 3.29Å; G93-I191 PolarHBondContact O-N 2.78Å; G93-D217 WeakPolarHBondContact CA-OD1 3.07Å
94	S	98.5	Very high	97.6	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	133.2	172.4	173.6	0	0	0	0	111	R96 I99 D217 Y218 W221	S94-R96 PolarHBondContact OG-N 2.78Å; S94-R96 PolarHBondContact OG-O 2.92Å; S94-I99 WeakPolarHBondContact CB-O 3.26Å; S94-I99 WeakPolarHBondContact OG-CB 3.02Å; S94-I99 PolarHBondContact OG-O 3.35Å; S94-D217 WeakPolarHBondContact CB-O 3.29Å; S94-D217 PolarHBondContact N-O 3.44Å; S94-Y218 CarbonylContact O-C 3.58Å; S94-Y218 WeakPolarHBondContact O-CA 3.25Å; S94-W221 PolarHBondContact O-NE1 3.26Å
95	L	98.8	Very high	97.6	Very high	0 Å²	0	22 Å²	22	0%	0	11%	0.111	C	C	.	.			trans	-105.3	13	172.5	-61.3	179.1	0	0	0	111.9	F183 R184 A188 D189 I191 D219	L95-F183 HydrophobicContact CD1-CB 3.92Å; L95-R184 HydrophobicContact CB-CG 3.91Å; L95-R184 HydrophobicContact CD2-CG 4.38Å; L95-R184 WeakPolarHBondContact O-CG 3.19Å; L95-R184 PolarHBondContact O-NH1 2.81Å; L95-A188 HydrophobicContact CD1-CB 3.63Å; L95-D189 WeakPolarHBondContact CA-O 3.34Å; L95-D189 WeakPolarHBondContact CB-O 3.35Å; L95-D189 PolarHBondContact N-O 3.28Å; L95-I191 HydrophobicContact CD1-CB 4.13Å; L95-I191 HydrophobicContact CD1-CG2 4.46Å; L95-I191 HydrophobicContact CD2-CG2 4.05Å; L95-I191 HydrophobicContact CG-CB 4.31Å; L95-I191 HydrophobicContact CG-CG2 4.11Å; L95-D219 HydrophobicContact CD2-CB 4.25Å
96	R	98.4	Very high	97.6	Very high	49 Å²	49	22 Å²	22	19%	0.185	11%	0.111	C	C	.	.	S	Bend	trans	-138.3	140	-175.6	-62	-64.8	178.1	-150	-5.8	110.7	S94 E98 I99 R184 G187 A188 D189 Y218	S94-R96 PolarHBondContact OG-N 2.78Å; S94-R96 PolarHBondContact OG-O 2.92Å; R96-E98 VanDerWaalsContact C-N 3.29Å; R96-E98 HydrophobicContact CB-CG 4.33Å; R96-E98 PolarHBondContact O-N 2.9Å; R96-I99 HydrophobicContact CB-CB 4.3Å; R96-I99 HydrophobicContact CB-CD1 3.94Å; R96-I99 HydrophobicContact CB-CG1 3.98Å; R96-I99 HydrophobicContact CG-CD1 4.04Å; R96-I99 PolarHBondContact O-N 3.15Å; R96-R184 PolarHBondContact NH2-O 2.83Å; R96-G187 VanDerWaalsContact NH2-CA 3.32Å; R96-G187 PolarHBondContact NH2-O 3.48Å; R96-A188 PolarHBondContact NE-O 3.4Å; R96-A188 PolarHBondContact NH2-O 2.87Å; R96-D189 HydrophobicContact CG-CB 4.08Å; R96-D189 IonicContact CZ-OD1 3.44Å; R96-D189 IonicContact NE-OD1 2.8Å; R96-D189 PolarHBondContact NE-OD1 2.93Å; R96-D189 IonicContact NH2-OD1 3.54Å; R96-D189 PolarHBondContact NH2-OD1 2.83Å; R96-Y218 VanDerWaalsContact O-CE1 3.32Å; R96-Y218 WeakPolarHBondContact O-CE1 3.31Å
97	E	97.5	Very high	97.6	Very high	101 Å²	101	22 Å²	22	47%	0.472	11%	0.111	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.5	-42.4	-177.3	-174.4	63.5	-137.6	0	0	111.3	I99 Y218 W221 K222	E97-I99 VanDerWaalsContact C-N 3.28Å; E97-I99 PolarHBondContact O-N 3.22Å; E97-Y218 PolarHBondContact O-OH 3.43Å; E97-W221 HydrophobicContact CB-CH2 4.28Å; E97-W221 VanDerWaalsContact OE2-CH2 3.32Å; E97-W221 WeakPolarHBondContact OE2-CH2 3.16Å; E97-K222 VanDerWaalsContact CD-NZ 3.34Å; E97-K222 IonicContact OE1-NZ 2.97Å; E97-K222 PolarHBondContact OE1-NZ 3.08Å; E97-K222 WeakPolarHBondContact OE2-CE 3.44Å; E97-K222 IonicContact OE2-NZ 2.73Å; E97-K222 PolarHBondContact OE2-NZ 3.45Å
98	E	98.1	Very high	97.6	Very high	116 Å²	116	24 Å²	24	54%	0.542	12%	0.122	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.3	-20.1	-176.8	63.9	-87.3	-154.5	0	0	114.3	R96 Q100 H161	R96-E98 VanDerWaalsContact C-N 3.29Å; R96-E98 HydrophobicContact CB-CG 4.33Å; R96-E98 PolarHBondContact O-N 2.9Å; E98-Q100 PolarHBondContact O-N 3.41Å; E98-H161 PolarHBondContact O-CE1 3.18Å; E98-H161 PolarHBondContact O-NE2 3.37Å
99	I	98.4	Very high	97.6	Very high	6 Å²	6	27.1 Å²	27.1	3%	0.031	14%	0.137	C	C	.	.	S	Bend	trans	-92.5	96.5	173.1	-56	174.6	0	0	0	107.5	S94 R96 E97 D103 V105 D189 V190 A215 Y218	S94-I99 WeakPolarHBondContact CB-O 3.26Å; S94-I99 WeakPolarHBondContact OG-CB 3.02Å; S94-I99 PolarHBondContact OG-O 3.35Å; R96-I99 HydrophobicContact CB-CB 4.3Å; R96-I99 HydrophobicContact CB-CD1 3.94Å; R96-I99 HydrophobicContact CB-CG1 3.98Å; R96-I99 HydrophobicContact CG-CD1 4.04Å; R96-I99 PolarHBondContact O-N 3.15Å; E97-I99 VanDerWaalsContact C-N 3.28Å; E97-I99 PolarHBondContact O-N 3.22Å; I99-D103 HydrophobicContact CG2-CB 4.47Å; I99-V105 HydrophobicContact CD1-CG2 4.25Å; I99-V105 HydrophobicContact CG2-CG2 3.74Å; I99-D189 HydrophobicContact CD1-CB 3.95Å; I99-V190 HydrophobicContact CD1-CG1 4.18Å; I99-V190 HydrophobicContact CG2-CG1 4.19Å; I99-A215 HydrophobicContact CG2-CB 3.87Å; I99-Y218 WeakPolarHBondContact O-CE1 3.5Å
100	Q	96.7	Very high	97.7	Very high	93 Å²	93	29 Å²	29	44%	0.435	15%	0.145	S	C	.	.			trans	-87.9	150.5	-175.4	-69.5	167.5	-6.9	0	0	111.3	E98 G102 D103 A215 Y218	E98-Q100 PolarHBondContact O-N 3.41Å; Q100-G102 PolarHBondContact O-N 2.87Å; Q100-D103 PolarHBondContact N-OD2 2.89Å; Q100-D103 WeakPolarHBondContact O-CB 3.38Å; Q100-D103 VanDerWaalsContact O-CG 3.31Å; Q100-D103 PolarHBondContact O-N 3.02Å; Q100-A215 WeakPolarHBondContact O-CB 3.47Å; Q100-Y218 WeakPolarHBondContact CA-OH 3.2Å; Q100-Y218 VanDerWaalsContact CG-OH 3.24Å; Q100-Y218 WeakPolarHBondContact CG-OH 3.41Å
101	P	95.6	Very high	97.8	Very high	52 Å²	52	30.8 Å²	30.8	34%	0.338	15%	0.154	S	C	.	.	T	Hydrogen-bonded Turn	trans	-48.3	129.2	166.5	-29.4	36.1	0	0	0	111.9	A215 Y218 T236	P101-A215 CarbonylContact C-O 3.32Å; P101-A215 WeakPolarHBondContact CA-O 3.45Å; P101-Y218 HydrophobicContact CG-CD2 4.03Å; P101-Y218 HydrophobicContact CG-CE2 3.89Å; P101-T236 HydrophobicContact CB-CG2 4.13Å
102	G	94.1	Very high	98	Very high	1 Å²	1	32.5 Å²	32.5	1%	0.01	16%	0.16	C	C	.	.	T	Hydrogen-bonded Turn	trans	89.9	-7.6	-172.9	0	0	0	0	0	115.2	Q100 A215 K243	Q100-G102 PolarHBondContact O-N 2.87Å; G102-A215 PolarHBondContact N-O 2.84Å; G102-K243 PolarHBondContact O-NZ 3.5Å
103	D	97.6	Very high	98.1	Very high	8 Å²	8	37.2 Å²	37.2	4%	0.043	18%	0.178	C	C	.	.			trans	-73	149	169.8	-72.2	-7.5	0	0	0	110.9	I99 Q100 K159 H161 A215	I99-D103 HydrophobicContact CG2-CB 4.47Å; Q100-D103 PolarHBondContact N-OD2 2.89Å; Q100-D103 WeakPolarHBondContact O-CB 3.38Å; Q100-D103 VanDerWaalsContact O-CG 3.31Å; Q100-D103 PolarHBondContact O-N 3.02Å; D103-K159 VanDerWaalsContact CG-NZ 3.27Å; D103-K159 WeakPolarHBondContact OD1-CD 3.32Å; D103-K159 WeakPolarHBondContact OD1-CG 3.23Å; D103-K159 IonicContact OD1-NZ 2.62Å; D103-K159 PolarHBondContact OD1-NZ 2.95Å; D103-K159 WeakPolarHBondContact OD2-CE 3.47Å; D103-K159 IonicContact OD2-NZ 3.61Å; D103-K159 PolarHBondContact OD2-NZ 2.88Å; D103-H161 IonicContact OD2-CD2 2.92Å; D103-H161 IonicContact OD2-CE1 2.77Å; D103-H161 IonicContact OD2-NE2 2.72Å; D103-H161 PolarHBondContact OD2-NE2 2.73Å; D103-A215 PolarHBondContact O-N 3.3Å
104	I	98.2	Very high	98.1	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	141.3	170.2	-60.9	-58.4	0	0	0	110	I106 V158 K159 C160 H161 I212 A213 M214 I247	I104-I106 HydrophobicContact CG2-CD1 3.8Å; I104-I106 HydrophobicContact CG2-CG1 4.44Å; I104-V158 HydrophobicContact CB-CG1 4.43Å; I104-V158 HydrophobicContact CG1-CG1 3.75Å; I104-K159 PolarHBondContact N-O 3.21Å; I104-K159 VanDerWaalsContact N-O 3.13Å; I104-C160 HydrophobicContact CB-CB 4.49Å; I104-C160 CarbonylContact O-C 3.5Å; I104-C160 VanDerWaalsContact O-CA 3.28Å; I104-C160 WeakPolarHBondContact O-CA 3.17Å; I104-H161 PolarHBondContact O-N 3.03Å; I104-I212 HydrophobicContact CD1-CG2 4.06Å; I104-I212 HydrophobicContact CG2-CG2 3.7Å; I104-A213 CarbonylContact C-O 3.5Å; I104-A213 WeakPolarHBondContact CA-O 3.44Å; I104-M214 HydrophobicContact CD1-CB 4.05Å; I104-M214 HydrophobicContact CD1-CE 3.86Å; I104-M214 HydrophobicContact CD1-CG 4.19Å; I104-I247 HydrophobicContact CG1-CD1 4.1Å; I104-I247 HydrophobicContact CG2-CD1 4.33Å
105	V	98.8	Very high	98.1	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	121.4	170.7	-171.8	0	0	0	0	108.7	I99 I107 H161 V190 A213	I99-V105 HydrophobicContact CD1-CG2 4.25Å; I99-V105 HydrophobicContact CG2-CG2 3.74Å; V105-I107 HydrophobicContact CB-CG2 4.27Å; V105-I107 HydrophobicContact CG1-CG2 3.73Å; V105-I107 PolarHBondContact O-N 2.66Å; V105-H161 HydrophobicContact CB-CB 4.41Å; V105-H161 HydrophobicContact CG1-CB 4.16Å; V105-H161 HydrophobicContact CG2-CB 4.13Å; V105-V190 HydrophobicContact CG2-CG1 4.02Å; V105-A213 HydrophobicContact CB-CB 4.29Å; V105-A213 PolarHBondContact N-O 3.42Å; V105-A213 WeakPolarHBondContact O-CB 3.44Å; V105-A213 PolarHBondContact O-N 2.7Å
106	I	98.8	Very high	98.1	Very high	0 Å²	0	50.1 Å²	50.1	0%	0	24%	0.242	C	C	.	.			trans	-91.6	82	171.8	-53.1	-56.1	0	0	0	108.2	I104 R146 L149 V150 H161 I212	I104-I106 HydrophobicContact CG2-CD1 3.8Å; I104-I106 HydrophobicContact CG2-CG1 4.44Å; I106-R146 HydrophobicContact CG2-CB 3.77Å; I106-R146 HydrophobicContact CG2-CG 3.77Å; I106-R146 PolarHBondContact O-NH2 3.11Å; I106-R146 VanDerWaalsContact O-NH2 3.09Å; I106-L149 HydrophobicContact CD1-CB 3.95Å; I106-L149 HydrophobicContact CD1-CD1 4.41Å; I106-L149 HydrophobicContact CG1-CB 4.29Å; I106-L149 HydrophobicContact CG2-CB 4.39Å; I106-L149 HydrophobicContact CG2-CD1 4.5Å; I106-V150 HydrophobicContact CB-CG2 3.91Å; I106-V150 HydrophobicContact CG1-CG2 3.84Å; I106-V150 HydrophobicContact CG2-CG2 4.16Å; I106-H161 PolarHBondContact N-O 3.17Å; I106-I212 HydrophobicContact CD1-CB 4.45Å; I106-I212 HydrophobicContact CD1-CG1 4.11Å; I106-I212 HydrophobicContact CD1-CG2 4.43Å
107	I	98.9	Very high	98.1	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	24%	0.236	C	C	.	.			trans	-58.5	148.5	-173.1	60.1	173.3	0	0	0	112.3	V105 F141 R146 G164 M166 V190 T195 A213	V105-I107 HydrophobicContact CB-CG2 4.27Å; V105-I107 HydrophobicContact CG1-CG2 3.73Å; V105-I107 PolarHBondContact O-N 2.66Å; I107-F141 HydrophobicContact CD1-CE1 3.58Å; I107-F141 HydrophobicContact CD1-CE2 4.41Å; I107-F141 HydrophobicContact CD1-CZ 3.43Å; I107-F141 VanDerWaalsContact CD1-CZ 3.43Å; I107-F141 HydrophobicContact CG1-CD1 4.34Å; I107-F141 HydrophobicContact CG1-CE1 3.66Å; I107-F141 HydrophobicContact CG1-CE2 4.33Å; I107-F141 HydrophobicContact CG1-CZ 3.68Å; I107-R146 WeakPolarHBondContact O-CD 3.42Å; I107-R146 PolarHBondContact O-NE 3.3Å; I107-G164 WeakPolarHBondContact CA-O 3.13Å; I107-G164 WeakPolarHBondContact CB-O 3.44Å; I107-M166 HydrophobicContact CD1-CB 3.76Å; I107-M166 HydrophobicContact CD1-CE 4.22Å; I107-M166 HydrophobicContact CD1-CG 4.28Å; I107-M166 HydrophobicContact CG2-CB 4.35Å; I107-M166 HydrophobicContact CG2-CE 4.31Å; I107-V190 HydrophobicContact CG2-CG2 3.9Å; I107-T195 HydrophobicContact CD1-CG2 4.21Å; I107-A213 HydrophobicContact CG2-CB 4.07Å
108	D	98.9	Very high	98.2	Very high	43 Å²	43	47.4 Å²	47.4	23%	0.23	24%	0.237	C	C	.	.			trans	-128.8	-14.1	-177.2	65	-39.8	0	0	0	113.9	F141 G164	D108-F141 WeakPolarHBondContact O-CD2 3.24Å; D108-G164 PolarHBondContact N-O 3.49Å; D108-G164 VanDerWaalsContact N-O 3.16Å; D108-G164 PolarHBondContact OD1-N 2.98Å
109	Q	98.9	Very high	98.2	Very high	67 Å²	67	45.1 Å²	45.1	31%	0.313	23%	0.227	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	165.4	179	-72.7	-61.6	-30	0	0	111.1	V138 T165 M166	Q109-V138 PolarHBondContact NE2-O 2.62Å; Q109-T165 HydrophobicContact CB-CG2 4.19Å; Q109-M166 PolarHBondContact O-N 2.68Å
110	F	98.9	Very high	98.2	Very high	40 Å²	40	46.6 Å²	46.6	18%	0.175	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.5	158.2	172.4	71.5	-98.1	0	0	0	112.4	D112 M137 P140 F141 M166 T195 V196 V199 V200	F110-D112 HydrophobicContact CD2-CB 4.47Å; F110-D112 HydrophobicContact CE2-CB 4.29Å; F110-M137 HydrophobicContact CE1-SD 4.14Å; F110-M137 HydrophobicContact CZ-CG 4.48Å; F110-M137 HydrophobicContact CZ-SD 4.4Å; F110-P140 HydrophobicContact CD1-CB 3.84Å; F110-P140 HydrophobicContact CD1-CG 3.86Å; F110-P140 HydrophobicContact CE1-CB 3.61Å; F110-P140 HydrophobicContact CE1-CG 4Å; F110-F141 HydrophobicContact CD1-CE2 4.48Å; F110-M166 CarbonylContact C-O 3.52Å; F110-M166 WeakPolarHBondContact CA-O 3.38Å; F110-M166 VanDerWaalsContact CB-O 3.29Å; F110-M166 WeakPolarHBondContact CB-O 3.32Å; F110-T195 HydrophobicContact CB-CG2 4.34Å; F110-V196 HydrophobicContact CB-CG2 4.37Å; F110-V196 HydrophobicContact CD2-CG2 3.33Å; F110-V196 HydrophobicContact CE2-CG2 3.63Å; F110-V196 HydrophobicContact CG-CG2 3.86Å; F110-V196 HydrophobicContact CZ-CG2 4.36Å; F110-V199 HydrophobicContact CD1-CG1 3.79Å; F110-V199 HydrophobicContact CE1-CG1 3.69Å; F110-V199 HydrophobicContact CZ-CG1 4.4Å; F110-V200 HydrophobicContact CZ-CG2 4.03Å
111	I	98.9	Very high	98.3	Very high	42 Å²	42	42.3 Å²	42.3	22%	0.215	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	127.5	165.9	-65	169.4	0	0	0	107.5	T165 M166 L167 T168 W186 A188	I111-T165 HydrophobicContact CD1-CG2 3.93Å; I111-T165 HydrophobicContact CG1-CG2 3.8Å; I111-M166 PolarHBondContact N-O 3.36Å; I111-L167 HydrophobicContact CB-CB 4.43Å; I111-L167 HydrophobicContact CB-CD1 4.15Å; I111-L167 HydrophobicContact CB-CG 4.24Å; I111-L167 HydrophobicContact CG2-CD1 3.92Å; I111-L167 HydrophobicContact CG2-CG 4.29Å; I111-L167 WeakPolarHBondContact O-CA 3.37Å; I111-T168 PolarHBondContact O-N 2.72Å; I111-W186 HydrophobicContact CD1-CB 4.2Å; I111-W186 HydrophobicContact CG2-CE3 4.03Å; I111-W186 HydrophobicContact CG2-CZ3 4.11Å; I111-A188 HydrophobicContact CD1-CB 4.35Å
112	D	98.9	Very high	98.4	Very high	55 Å²	55	42.1 Å²	42.1	29%	0.294	21%	0.209	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	120.7	-179.1	-172.5	15.1	0	0	0	111.9	F110 T114 Q119 V196	F110-D112 HydrophobicContact CD2-CB 4.47Å; F110-D112 HydrophobicContact CE2-CB 4.29Å; D112-T114 WeakPolarHBondContact OD1-CA 3.46Å; D112-T114 VanDerWaalsContact OD1-CB 3.25Å; D112-T114 WeakPolarHBondContact OD1-CB 3.37Å; D112-T114 VanDerWaalsContact OD1-CG2 3.31Å; D112-T114 WeakPolarHBondContact OD1-CG2 3.44Å; D112-T114 PolarHBondContact OD1-N 2.77Å; D112-T114 PolarHBondContact OD1-OG1 2.92Å; D112-T114 PolarHBondContact OD2-OG1 3.43Å; D112-Q119 PolarHBondContact OD2-NE2 3.01Å; D112-V196 HydrophobicContact CB-CG1 4.27Å; D112-V196 HydrophobicContact CB-CG2 4.37Å
113	R	98.8	Very high	98.6	Very high	103 Å²	103	45 Å²	45	39%	0.389	22%	0.224	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	19.6	170.4	-73.8	-66.7	-65.4	148.8	0.6	111.7	L167 T168 I169 E170 F183 W186	R113-L167 HydrophobicContact CB-CD2 4.18Å; R113-L167 HydrophobicContact CG-CD1 4.2Å; R113-L167 HydrophobicContact CG-CD2 4.06Å; R113-L167 HydrophobicContact CG-CG 4.19Å; R113-T168 CarbonylContact C-O 3.59Å; R113-T168 VanDerWaalsContact C-O 3.23Å; R113-T168 WeakPolarHBondContact CA-O 3.32Å; R113-T168 WeakPolarHBondContact CB-O 3.21Å; R113-T168 PolarHBondContact N-O 3.31Å; R113-I169 HydrophobicContact CB-CG2 4.21Å; R113-E170 PolarHBondContact O-N 2.72Å; R113-F183 HydrophobicContact CG-CE1 4.1Å; R113-F183 HydrophobicContact CG-CZ 4.47Å; R113-W186 HydrophobicContact CG-CZ3 3.96Å
114	T	98.9	Very high	98.5	Very high	15 Å²	15	47.5 Å²	47.5	9%	0.092	25%	0.252	C	S	.	.			trans	-75.7	158.6	167.1	74.1	0	0	0	0	110	D112 Q119 T168 V196	D112-T114 WeakPolarHBondContact OD1-CA 3.46Å; D112-T114 VanDerWaalsContact OD1-CB 3.25Å; D112-T114 WeakPolarHBondContact OD1-CB 3.37Å; D112-T114 VanDerWaalsContact OD1-CG2 3.31Å; D112-T114 WeakPolarHBondContact OD1-CG2 3.44Å; D112-T114 PolarHBondContact OD1-N 2.77Å; D112-T114 PolarHBondContact OD1-OG1 2.92Å; D112-T114 PolarHBondContact OD2-OG1 3.43Å; T114-Q119 PolarHBondContact OG1-NE2 2.9Å; T114-T168 HydrophobicContact CG2-CG2 3.66Å; T114-T168 PolarHBondContact N-O 3.19Å; T114-V196 HydrophobicContact CG2-CB 4.25Å; T114-V196 HydrophobicContact CG2-CG1 4.46Å
115	T	98.8	Very high	98.4	Very high	104 Å²	104	52.9 Å²	52.9	64%	0.638	28%	0.277	S	S	*	.			trans	-141.1	-17.7	-173.9	56.5	0	0	0	0	114.2	E170	T115-E170 PolarHBondContact N-OE2 2.84Å; T115-E170 PolarHBondContact OG1-OE2 2.76Å
116	K	98.3	Very high	98.1	Very high	157 Å²	157	59 Å²	59	68%	0.683	32%	0.317	S	S	*	.	S	Bend	trans	-115.4	-2	-170.4	-62.9	-178.6	-178.8	176.6	0	114.9	E170	K116-E170 HydrophobicContact CD-CG 4.33Å; K116-E170 HydrophobicContact CG-CG 4.36Å; K116-E170 PolarHBondContact N-OE2 3.37Å
117	R	98.6	Very high	97.9	Very high	17 Å²	17	63.3 Å²	63.3	6%	0.064	34%	0.343	C	S	.	.			trans	-104.7	130.4	-159.4	-55	174.8	-168.3	-171.4	-4.6	111.3	Y71 Q119 I169 E170 M193 V196 P197	Y71-R117 PolarHBondContact OH-NH1 3.22Å; R117-Q119 VanDerWaalsContact O-CG 3.28Å; R117-Q119 WeakPolarHBondContact O-CG 3.14Å; R117-Q119 PolarHBondContact O-N 2.95Å; R117-I169 PolarHBondContact NH2-O 2.78Å; R117-E170 IonicContact CZ-OE1 3.29Å; R117-E170 IonicContact NE-OE1 3.58Å; R117-E170 PolarHBondContact NE-OE1 3.38Å; R117-E170 IonicContact NE-OE2 2.77Å; R117-E170 PolarHBondContact NH2-O 2.9Å; R117-E170 IonicContact NH2-OE1 2.7Å; R117-M193 VanDerWaalsContact CZ-O 3.24Å; R117-M193 PolarHBondContact NH1-O 3.05Å; R117-M193 PolarHBondContact NH2-O 3.49Å; R117-V196 PolarHBondContact NH1-O 2.65Å; R117-P197 HydrophobicContact CB-CG 4.2Å
118	P	98.6	Very high	97.7	Very high	76 Å²	76	63.9 Å²	63.9	49%	0.494	35%	0.348	S	S	.	.			trans	-59.2	129	166.6	-21.6	33.1	0	0	0	110.3	Q72 P197	Q72-P118 HydrophobicContact CG-CB 4.42Å; P118-P197 VanDerWaalsContact O-CG 3.31Å; P118-P197 WeakPolarHBondContact O-CG 3.43Å
119	Q	98.8	Very high	97.5	Very high	68 Å²	68	63.1 Å²	63.1	32%	0.318	35%	0.345	S	S	.	.			trans	-113.7	6.2	-175	-50.2	-161.3	2.6	0	0	114.3	D112 T114 R117 P197 V200	D112-Q119 PolarHBondContact OD2-NE2 3.01Å; T114-Q119 PolarHBondContact OG1-NE2 2.9Å; R117-Q119 VanDerWaalsContact O-CG 3.28Å; R117-Q119 WeakPolarHBondContact O-CG 3.14Å; R117-Q119 PolarHBondContact O-N 2.95Å; Q119-P197 HydrophobicContact CB-CB 4Å; Q119-P197 HydrophobicContact CG-CB 3.94Å; Q119-V200 WeakPolarHBondContact O-CG1 3.4Å
120	T	98.8	Very high	97.4	Very high	37 Å²	37	64.2 Å²	64.2	23%	0.227	36%	0.358	C	S	.	.			trans	-135.8	150.3	179.2	-172.8	0	0	0	0	110.6	Q72 Y122 D123 E204	Q72-T120 PolarHBondContact NE2-O 3.33Å; T120-Y122 VanDerWaalsContact C-N 3.28Å; T120-Y122 PolarHBondContact OG1-N 3.36Å; T120-D123 HydrophobicContact CG2-CB 4.37Å; T120-E204 WeakPolarHBondContact CA-OE2 3.43Å; T120-E204 WeakPolarHBondContact CB-OE1 3.32Å; T120-E204 VanDerWaalsContact OG1-CD 3.31Å; T120-E204 PolarHBondContact OG1-OE1 3.34Å; T120-E204 PolarHBondContact OG1-OE2 3.36Å; T120-E204 VanDerWaalsContact OG1-OE2 3.09Å
121	L	98.7	Very high	97.3	Very high	4 Å²	4	63.1 Å²	63.1	2%	0.021	36%	0.358	C	S	.	.	S	Bend	trans	-77.6	-17.5	165.6	-63	176.5	0	0	0	110.9	Y35 Q72 W76 D123 S128 P129 L201 E204 A205	Y35-L121 HydrophobicContact CD2-CD2 4.41Å; Y35-L121 HydrophobicContact CE1-CD2 4.39Å; Y35-L121 HydrophobicContact CE2-CD2 3.79Å; Y35-L121 WeakPolarHBondContact OH-CA 3.36Å; Y35-L121 WeakPolarHBondContact OH-CB 3.47Å; Y35-L121 PolarHBondContact OH-O 2.62Å; Q72-L121 HydrophobicContact CB-CD2 4.18Å; Q72-L121 HydrophobicContact CG-CD2 4.31Å; W76-L121 HydrophobicContact CE3-CD1 4.36Å; W76-L121 HydrophobicContact CE3-CD2 4.38Å; L121-D123 PolarHBondContact O-N 2.8Å; L121-S128 WeakPolarHBondContact O-CB 3.43Å; L121-P129 WeakPolarHBondContact O-CD 3.48Å; L121-L201 HydrophobicContact CD2-CD2 3.96Å; L121-L201 HydrophobicContact CG-CD2 3.89Å; L121-E204 HydrophobicContact CD1-CB 4.26Å; L121-E204 PolarHBondContact N-OE2 3.1Å; L121-A205 HydrophobicContact CD1-CB 4.39Å
122	Y	98.3	Very high	97.2	Very high	47 Å²	47	64.7 Å²	64.7	18%	0.184	37%	0.369	C	S	.	.			trans	-102.1	59.9	-174.5	-60.9	-99.4	0	0	0	110.7	T120 G124 P129 C133 E204 V275	T120-Y122 VanDerWaalsContact C-N 3.28Å; T120-Y122 PolarHBondContact OG1-N 3.36Å; Y122-G124 VanDerWaalsContact C-N 3.31Å; Y122-G124 PolarHBondContact O-N 2.8Å; Y122-P129 HydrophobicContact CD1-CB 3.82Å; Y122-P129 HydrophobicContact CE1-CB 3.56Å; Y122-P129 HydrophobicContact CE1-CG 4.48Å; Y122-C133 HydrophobicContact CD1-CB 4.36Å; Y122-C133 HydrophobicContact CD2-CB 3.3Å; Y122-C133 HydrophobicContact CE2-CB 3.94Å; Y122-C133 HydrophobicContact CG-CB 3.56Å; Y122-E204 HydrophobicContact CE2-CB 4.47Å; Y122-V275 HydrophobicContact CD1-CG1 3.99Å; Y122-V275 HydrophobicContact CD1-CG2 4.18Å; Y122-V275 HydrophobicContact CE1-CB 4.33Å; Y122-V275 HydrophobicContact CE1-CG1 3.77Å; Y122-V275 HydrophobicContact CE1-CG2 3.52Å; Y122-V275 HydrophobicContact CE2-CG2 4.1Å; Y122-V275 VanDerWaalsContact CZ-CG2 3.48Å
123	D	96.5	Very high	97.2	Very high	62 Å²	62	62.7 Å²	62.7	33%	0.332	36%	0.36	S	S	.	.			trans	-86.2	1	-173.3	63.3	20.8	0	0	0	114.2	Q72 T120 L121 Q125 S128	Q72-D123 PolarHBondContact NE2-OD2 3.31Å; T120-D123 HydrophobicContact CG2-CB 4.37Å; L121-D123 PolarHBondContact O-N 2.8Å; D123-Q125 PolarHBondContact O-N 3.09Å; D123-Q125 VanDerWaalsContact OD1-CB 3.26Å; D123-Q125 WeakPolarHBondContact OD1-CB 3.5Å; D123-Q125 VanDerWaalsContact OD1-CG 3.27Å; D123-Q125 WeakPolarHBondContact OD1-CG 3.34Å; D123-Q125 PolarHBondContact OD1-N 3.22Å; D123-S128 WeakPolarHBondContact OD1-CB 3.4Å; D123-S128 PolarHBondContact OD1-OG 2.93Å; D123-S128 VanDerWaalsContact OD1-OG 3.08Å
124	G	95.9	Very high	97.2	Very high	61 Å²	61	63.7 Å²	63.7	63%	0.629	37%	0.368	S	S	*	.			trans	77.7	4.6	177.4	0	0	0	0	0	114.1	Y122 S128	Y122-G124 VanDerWaalsContact C-N 3.31Å; Y122-G124 PolarHBondContact O-N 2.8Å; G124-S128 PolarHBondContact N-OG 2.8Å
125	Q	95.6	Very high	97.2	Very high	112 Å²	112	64.1 Å²	64.1	52%	0.523	37%	0.37	S	S	.	.			trans	-69.6	150.6	171.4	-64.3	-57.4	-42.7	0	0	110.9	D123 T127 S128	D123-Q125 PolarHBondContact O-N 3.09Å; D123-Q125 VanDerWaalsContact OD1-CB 3.26Å; D123-Q125 WeakPolarHBondContact OD1-CB 3.5Å; D123-Q125 VanDerWaalsContact OD1-CG 3.27Å; D123-Q125 WeakPolarHBondContact OD1-CG 3.34Å; D123-Q125 PolarHBondContact OD1-N 3.22Å; Q125-T127 PolarHBondContact O-N 3.29Å; Q125-T127 VanDerWaalsContact O-N 3.07Å; Q125-S128 PolarHBondContact N-OG 2.78Å; Q125-S128 VanDerWaalsContact N-OG 3.13Å; Q125-S128 WeakPolarHBondContact O-CB 3.4Å; Q125-S128 PolarHBondContact O-N 3.41Å; Q125-S128 PolarHBondContact O-OG 3.28Å
126	P	93.8	Very high	97.2	Very high	128 Å²	128	61.9 Å²	61.9	83%	0.831	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.5	-24	179	-25.7	34.9	0	0	0	114.7
127	T	93.8	Very high	97.2	Very high	91 Å²	91	56.6 Å²	56.6	56%	0.558	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.9	-13.9	177.3	55	0	0	0	0	113	P34 Q125	P34-T127 WeakPolarHBondContact CB-O 3.36Å; P34-T127 PolarHBondContact O-OG1 2.87Å; Q125-T127 PolarHBondContact O-N 3.29Å; Q125-T127 VanDerWaalsContact O-N 3.07Å
128	S	94.9	Very high	97.1	Very high	13 Å²	13	61.2 Å²	61.2	9%	0.091	37%	0.365	C	S	.	.	S	Bend	trans	-87.1	155.6	-179.9	75.9	0	0	0	0	111.9	L121 D123 G124 Q125	L121-S128 WeakPolarHBondContact O-CB 3.43Å; D123-S128 WeakPolarHBondContact OD1-CB 3.4Å; D123-S128 PolarHBondContact OD1-OG 2.93Å; D123-S128 VanDerWaalsContact OD1-OG 3.08Å; G124-S128 PolarHBondContact N-OG 2.8Å; Q125-S128 PolarHBondContact N-OG 2.78Å; Q125-S128 VanDerWaalsContact N-OG 3.13Å; Q125-S128 WeakPolarHBondContact O-CB 3.4Å; Q125-S128 PolarHBondContact O-N 3.41Å; Q125-S128 PolarHBondContact O-OG 3.28Å
129	P	95.7	Very high	97.1	Very high	27 Å²	27	62.7 Å²	62.7	18%	0.175	37%	0.365	C	S	.	.	P	Polyproline II helix	trans	-54.2	140.6	168.4	-26.2	35.6	0	0	0	112.1	Y35 W76 L121 Y122	Y35-P129 WeakPolarHBondContact OH-CD 3.39Å; W76-P129 HydrophobicContact CH2-CG 3.89Å; W76-P129 HydrophobicContact CZ3-CG 3.74Å; L121-P129 WeakPolarHBondContact O-CD 3.48Å; Y122-P129 HydrophobicContact CD1-CB 3.82Å; Y122-P129 HydrophobicContact CE1-CB 3.56Å; Y122-P129 HydrophobicContact CE1-CG 4.48Å
130	P	95.9	Very high	97.1	Very high	90 Å²	90	59.5 Å²	59.5	58%	0.584	35%	0.351	S	S	*	.	S	Bend	trans	-72.6	156.3	-177.6	31.3	-36.4	0	0	0	112.1	L277	P130-L277 HydrophobicContact CB-CD2 4.46Å; P130-L277 HydrophobicContact CG-CD2 4.25Å; P130-L277 WeakPolarHBondContact O-CD2 3.38Å
131	G	96.2	Very high	97.1	Very high	17 Å²	17	57.9 Å²	57.9	18%	0.175	34%	0.341	C	S	.	.	S	Bend	trans	103	-175.7	174.5	0	0	0	0	0	113.4	M276	G131-M276 CarbonylContact C-O 3.5Å; G131-M276 WeakPolarHBondContact CA-O 3.26Å
132	V	98.1	Very high	97.1	Very high	74 Å²	74	58.3 Å²	58.3	45%	0.448	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	122.9	177	179.9	0	0	0	0	108.2	V275 M276	V132-V275 WeakPolarHBondContact O-CA 3.28Å; V132-M276 HydrophobicContact CB-CE 4.15Å; V132-M276 HydrophobicContact CG1-CE 4.16Å; V132-M276 PolarHBondContact N-O 2.75Å; V132-M276 PolarHBondContact O-N 3.48Å
133	C	98.5	Very high	97.1	Very high	14 Å²	14	58.8 Å²	58.8	10%	0.095	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	129.9	-179.6	-175.4	0	0	0	0	111.8	Y122 E204 S274 V275	Y122-C133 HydrophobicContact CD1-CB 4.36Å; Y122-C133 HydrophobicContact CD2-CB 3.3Å; Y122-C133 HydrophobicContact CE2-CB 3.94Å; Y122-C133 HydrophobicContact CG-CB 3.56Å; C133-E204 PolarHBondContact SG-OE1 2.88Å; C133-S274 WeakPolarHBondContact CA-O 3.44Å; C133-V275 HydrophobicContact CB-CG2 4.26Å
134	H	98.6	Very high	97.2	Very high	123 Å²	123	59 Å²	59	57%	0.569	35%	0.348	S	S	*	.			trans	-122	74.8	171.8	-63.7	-55.4	0	0	0	110	P136 S274 M276	H134-P136 WeakPolarHBondContact O-CD 3.35Å; H134-S274 PolarHBondContact N-O 2.94Å; H134-M276 WeakPolarHBondContact CD2-CE 3.38Å; H134-M276 VanDerWaalsContact NE2-CE 3.26Å; H134-M276 WeakPolarHBondContact NE2-CE 3.42Å
135	I	98.7	Very high	97.3	Very high	24 Å²	24	56.1 Å²	56.1	12%	0.123	32%	0.318	C	S	.	.			trans	-70.8	129.6	-173.8	-166.7	69.5	0	0	0	112.2	M137 V200 K203 E204 M270 A271	I135-M137 HydrophobicContact CB-CE 4.29Å; I135-M137 HydrophobicContact CG1-CE 3.89Å; I135-M137 HydrophobicContact CG2-CE 3.46Å; I135-M137 VanDerWaalsContact CG2-CE 3.46Å; I135-V200 HydrophobicContact CG2-CG1 4.14Å; I135-K203 HydrophobicContact CD1-CG 4.07Å; I135-K203 HydrophobicContact CG1-CB 4.02Å; I135-K203 HydrophobicContact CG1-CG 3.65Å; I135-E204 HydrophobicContact CB-CG 3.87Å; I135-E204 HydrophobicContact CG1-CG 4.13Å; I135-E204 HydrophobicContact CG2-CG 3.81Å; I135-M270 HydrophobicContact CD1-CG 4.44Å; I135-A271 HydrophobicContact CD1-CB 4.5Å
136	P	98.6	Very high	97.5	Very high	58 Å²	58	52.1 Å²	52.1	38%	0.377	30%	0.298	S	S	.	.			trans	-66.8	134	174.1	-23.4	34	0	0	0	112.7	H134 M270 S274	H134-P136 WeakPolarHBondContact O-CD 3.35Å; P136-M270 HydrophobicContact CG-CG 4.36Å; P136-S274 VanDerWaalsContact CD-OG 3.25Å; P136-S274 WeakPolarHBondContact CD-OG 3.42Å
137	M	98.8	Very high	97.7	Very high	46 Å²	46	51.3 Å²	51.3	23%	0.227	28%	0.283	C	S	.	.			trans	-118.5	17.4	-179.2	-74.2	-66.7	146.9	0	0	114.2	F110 I135 E139 P140 V200 K203	F110-M137 HydrophobicContact CE1-SD 4.14Å; F110-M137 HydrophobicContact CZ-CG 4.48Å; F110-M137 HydrophobicContact CZ-SD 4.4Å; I135-M137 HydrophobicContact CB-CE 4.29Å; I135-M137 HydrophobicContact CG1-CE 3.89Å; I135-M137 HydrophobicContact CG2-CE 3.46Å; I135-M137 VanDerWaalsContact CG2-CE 3.46Å; M137-E139 VanDerWaalsContact C-N 3.26Å; M137-E139 PolarHBondContact O-N 3.04Å; M137-P140 WeakPolarHBondContact O-CD 3.43Å; M137-P140 HydrophobicContact SD-CB 3.94Å; M137-V200 HydrophobicContact CE-CB 4.17Å; M137-V200 HydrophobicContact CE-CG1 4Å; M137-V200 HydrophobicContact CE-CG2 4.32Å; M137-V200 HydrophobicContact SD-CG2 4.28Å; M137-K203 HydrophobicContact CE-CB 3.43Å; M137-K203 VanDerWaalsContact CE-CB 3.43Å; M137-K203 HydrophobicContact CE-CG 3.66Å
138	V	97.3	Very high	97.9	Very high	113 Å²	113	47.2 Å²	47.2	69%	0.685	26%	0.258	S	S	*	.	S	Bend	trans	-58.3	-39.5	177.4	62.7	0	0	0	0	112.4	Q109	Q109-V138 PolarHBondContact NE2-O 2.62Å
139	E	97.7	Very high	98.1	Very high	107 Å²	107	46.6 Å²	46.6	50%	0.5	25%	0.253	S	S	.	.	S	Bend	trans	-125	84	174.3	-66.9	-173.9	119.3	0	0	108.3	M137 F141 N143 K203	M137-E139 VanDerWaalsContact C-N 3.26Å; M137-E139 PolarHBondContact O-N 3.04Å; E139-F141 VanDerWaalsContact C-N 3.29Å; E139-F141 PolarHBondContact O-N 2.98Å; E139-N143 PolarHBondContact OE1-ND2 3.46Å; E139-K203 PolarHBondContact O-NZ 2.79Å
140	P	98.7	Very high	98.3	Very high	1 Å²	1	46.2 Å²	46.2	1%	0.006	25%	0.251	C	S	.	.			trans	-71.4	-25.9	-169.5	20.7	-23.1	0	0	0	112.8	F110 M137 V199	F110-P140 HydrophobicContact CD1-CB 3.84Å; F110-P140 HydrophobicContact CD1-CG 3.86Å; F110-P140 HydrophobicContact CE1-CB 3.61Å; F110-P140 HydrophobicContact CE1-CG 4Å; M137-P140 WeakPolarHBondContact O-CD 3.43Å; M137-P140 HydrophobicContact SD-CB 3.94Å; P140-V199 HydrophobicContact CB-CG2 3.94Å; P140-V199 VanDerWaalsContact O-CG2 3.28Å; P140-V199 WeakPolarHBondContact O-CG2 3.29Å
141	F	98.9	Very high	98.4	Very high	4 Å²	4	47.4 Å²	47.4	2%	0.018	25%	0.248	C	C	.	.	S	Bend	trans	-107.2	155.6	-179.2	-54.4	-95.9	0	0	0	112	I107 D108 F110 E139 N143 R146 T195 V199 Y209	I107-F141 HydrophobicContact CD1-CE1 3.58Å; I107-F141 HydrophobicContact CD1-CE2 4.41Å; I107-F141 HydrophobicContact CD1-CZ 3.43Å; I107-F141 VanDerWaalsContact CD1-CZ 3.43Å; I107-F141 HydrophobicContact CG1-CD1 4.34Å; I107-F141 HydrophobicContact CG1-CE1 3.66Å; I107-F141 HydrophobicContact CG1-CE2 4.33Å; I107-F141 HydrophobicContact CG1-CZ 3.68Å; D108-F141 WeakPolarHBondContact O-CD2 3.24Å; F110-F141 HydrophobicContact CD1-CE2 4.48Å; E139-F141 VanDerWaalsContact C-N 3.29Å; E139-F141 PolarHBondContact O-N 2.98Å; F141-N143 PolarHBondContact O-N 3.28Å; F141-R146 HydrophobicContact CB-CG 4.4Å; F141-T195 HydrophobicContact CE1-CG2 4.41Å; F141-T195 HydrophobicContact CZ-CG2 3.98Å; F141-V199 HydrophobicContact CD1-CG2 4.16Å; F141-V199 HydrophobicContact CE1-CG2 4.02Å; F141-V199 HydrophobicContact CG-CG2 4.49Å; F141-V199 HydrophobicContact CZ-CG2 4.19Å; F141-Y209 CarbonylContact C-O 3.53Å; F141-Y209 WeakPolarHBondContact CA-O 3.48Å; F141-Y209 AromaticContact CD1-CD1 3.74Å; F141-Y209 HydrophobicContact CD1-CD1 3.74Å; F141-Y209 AromaticContact CD1-CE1 3.83Å; F141-Y209 HydrophobicContact CD1-CE1 3.83Å; F141-Y209 HydrophobicContact CE1-CD1 4.07Å; F141-Y209 AromaticContact CE1-CE1 3.67Å; F141-Y209 HydrophobicContact CE1-CE1 3.67Å
142	C	98.7	Very high	98.5	Very high	13 Å²	13	46.6 Å²	46.6	9%	0.088	24%	0.24	C	C	.	.			trans	-77.3	107.4	178.5	-176.2	0	0	0	0	111.4	K144 T145 R146 C208 Y209	C142-K144 PolarHBondContact O-N 3.3Å; C142-T145 PolarHBondContact O-N 3.39Å; C142-T145 PolarHBondContact SG-OG1 3.44Å; C142-T145 VanDerWaalsContact SG-OG1 3.36Å; C142-R146 WeakPolarHBondContact O-CG 2.89Å; C142-R146 PolarHBondContact O-N 3.02Å; C142-C208 HydrophobicContact CB-CB 3.97Å; C142-C208 VanDerWaalsContact SG-SG 3.68Å; C142-Y209 PolarHBondContact N-O 2.84Å
143	N	98.3	Very high	98.5	Very high	57 Å²	57	43 Å²	43	31%	0.305	22%	0.218	S	C	.	.	H	α-helix	trans	-57.3	-45.3	-178.2	-70.9	-25.6	0	0	0	113.6	E139 F141 T145 R146 E147	E139-N143 PolarHBondContact OE1-ND2 3.46Å; F141-N143 PolarHBondContact O-N 3.28Å; N143-T145 VanDerWaalsContact C-N 3.33Å; N143-T145 PolarHBondContact O-N 2.79Å; N143-R146 WeakPolarHBondContact O-CB 3.29Å; N143-R146 PolarHBondContact O-N 3.01Å; N143-R146 VanDerWaalsContact O-N 3.13Å; N143-R146 PolarHBondContact OD1-NH1 2.87Å; N143-E147 WeakPolarHBondContact O-CG 3.37Å; N143-E147 PolarHBondContact O-N 2.84Å
144	K	98.4	Very high	98.4	Very high	67 Å²	67	50.6 Å²	50.6	29%	0.291	25%	0.245	S	C	.	.	H	α-helix	trans	-59.2	-42.2	177.4	-79	-173.1	84.8	-179.7	0	112.3	C142 E147 V148 D259 W260 T263	C142-K144 PolarHBondContact O-N 3.3Å; K144-E147 PolarHBondContact O-N 2.97Å; K144-V148 WeakPolarHBondContact O-CG2 3.36Å; K144-V148 PolarHBondContact O-N 2.81Å; K144-D259 PolarHBondContact NZ-O 2.91Å; K144-W260 HydrophobicContact CB-CH2 3.59Å; K144-W260 HydrophobicContact CB-CZ3 3.55Å; K144-W260 HydrophobicContact CD-CZ3 4.22Å; K144-T263 WeakPolarHBondContact CD-OG1 3.19Å
145	T	98.8	Very high	98.4	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-66.6	-41.6	177.3	-53	0	0	0	0	110.8	V87 C142 N143 E147 V148 L149 A210 I255	V87-T145 HydrophobicContact CG2-CG2 4.02Å; C142-T145 PolarHBondContact O-N 3.39Å; C142-T145 PolarHBondContact SG-OG1 3.44Å; C142-T145 VanDerWaalsContact SG-OG1 3.36Å; N143-T145 VanDerWaalsContact C-N 3.33Å; N143-T145 PolarHBondContact O-N 2.79Å; T145-E147 VanDerWaalsContact C-N 3.35Å; T145-E147 PolarHBondContact O-N 2.92Å; T145-V148 PolarHBondContact O-N 3Å; T145-L149 HydrophobicContact CG2-CD1 4.39Å; T145-L149 WeakPolarHBondContact O-CG 3.4Å; T145-L149 PolarHBondContact O-N 3.46Å; T145-A210 HydrophobicContact CG2-CB 3.57Å; T145-I255 HydrophobicContact CG2-CD1 3.93Å
146	R	98.8	Very high	98.4	Very high	28 Å²	28	51.1 Å²	51.1	11%	0.106	26%	0.259	C	S	.	.	H	α-helix	trans	-60.7	-42.3	177	-70.4	176.1	61.2	-106.3	-18.5	112.4	I106 I107 F141 C142 N143 V148 L149 V150 V162 A210	I106-R146 HydrophobicContact CG2-CB 3.77Å; I106-R146 HydrophobicContact CG2-CG 3.77Å; I106-R146 PolarHBondContact O-NH2 3.11Å; I106-R146 VanDerWaalsContact O-NH2 3.09Å; I107-R146 WeakPolarHBondContact O-CD 3.42Å; I107-R146 PolarHBondContact O-NE 3.3Å; F141-R146 HydrophobicContact CB-CG 4.4Å; C142-R146 WeakPolarHBondContact O-CG 2.89Å; C142-R146 PolarHBondContact O-N 3.02Å; N143-R146 WeakPolarHBondContact O-CB 3.29Å; N143-R146 PolarHBondContact O-N 3.01Å; N143-R146 VanDerWaalsContact O-N 3.13Å; N143-R146 PolarHBondContact OD1-NH1 2.87Å; R146-V148 PolarHBondContact O-N 2.96Å; R146-L149 PolarHBondContact O-N 3.11Å; R146-V150 WeakPolarHBondContact O-CG2 3.39Å; R146-V150 PolarHBondContact O-N 2.91Å; R146-V162 PolarHBondContact NH2-O 2.8Å; R146-A210 HydrophobicContact CG-CB 4.18Å
147	E	98.6	Very high	98.3	Very high	111 Å²	111	51.7 Å²	51.7	52%	0.519	28%	0.275	S	S	.	.	H	α-helix	trans	-56.9	-48.7	176.4	-74.5	165.4	-177.6	0	0	111.2	N143 K144 T145 L149 V150 E151	N143-E147 WeakPolarHBondContact O-CG 3.37Å; N143-E147 PolarHBondContact O-N 2.84Å; K144-E147 PolarHBondContact O-N 2.97Å; T145-E147 VanDerWaalsContact C-N 3.35Å; T145-E147 PolarHBondContact O-N 2.92Å; E147-L149 VanDerWaalsContact C-N 3.34Å; E147-L149 PolarHBondContact O-N 3.16Å; E147-V150 PolarHBondContact O-N 3.39Å; E147-E151 WeakPolarHBondContact O-CG 3.4Å; E147-E151 PolarHBondContact O-N 2.92Å
148	V	98.8	Very high	98.2	Very high	5 Å²	5	50.5 Å²	50.5	3%	0.03	27%	0.27	C	S	.	.	H	α-helix	trans	-59.3	-44.7	175.8	179.2	0	0	0	0	111.4	K144 T145 R146 V150 E151 V152 A251 Q254 I255 M258	K144-V148 WeakPolarHBondContact O-CG2 3.36Å; K144-V148 PolarHBondContact O-N 2.81Å; T145-V148 PolarHBondContact O-N 3Å; R146-V148 PolarHBondContact O-N 2.96Å; V148-V150 VanDerWaalsContact C-N 3.33Å; V148-V150 PolarHBondContact O-N 3.34Å; V148-E151 PolarHBondContact O-N 3.39Å; V148-V152 HydrophobicContact CG1-CG2 4.19Å; V148-V152 VanDerWaalsContact O-CB 3.31Å; V148-V152 WeakPolarHBondContact O-CB 3.27Å; V148-V152 VanDerWaalsContact O-CG2 3.24Å; V148-V152 WeakPolarHBondContact O-CG2 3.35Å; V148-V152 PolarHBondContact O-N 3.03Å; V148-A251 HydrophobicContact CG1-CB 4.16Å; V148-Q254 HydrophobicContact CG1-CB 3.99Å; V148-I255 HydrophobicContact CB-CG1 4.32Å; V148-I255 HydrophobicContact CG1-CG1 3.99Å; V148-I255 HydrophobicContact CG2-CG1 4.46Å; V148-M258 HydrophobicContact CG2-CE 4.07Å; V148-M258 HydrophobicContact CG2-SD 3.41Å; V148-M258 WeakPolarHBondContact CG2-SD 3.45Å
149	L	98.8	Very high	98.2	Very high	0 Å²	0	49.4 Å²	49.4	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-61.5	-41.5	178.8	-66.9	173.3	0	0	0	112.1	V87 I106 T145 R146 E147 A153 A210 I212 I247 A251	V87-L149 HydrophobicContact CG1-CD1 4.19Å; V87-L149 HydrophobicContact CG1-CD2 4.11Å; I106-L149 HydrophobicContact CD1-CB 3.95Å; I106-L149 HydrophobicContact CD1-CD1 4.41Å; I106-L149 HydrophobicContact CG1-CB 4.29Å; I106-L149 HydrophobicContact CG2-CB 4.39Å; I106-L149 HydrophobicContact CG2-CD1 4.5Å; T145-L149 HydrophobicContact CG2-CD1 4.39Å; T145-L149 WeakPolarHBondContact O-CG 3.4Å; T145-L149 PolarHBondContact O-N 3.46Å; R146-L149 PolarHBondContact O-N 3.11Å; E147-L149 VanDerWaalsContact C-N 3.34Å; E147-L149 PolarHBondContact O-N 3.16Å; L149-A153 WeakPolarHBondContact O-CB 3.18Å; L149-A153 PolarHBondContact O-N 3.36Å; L149-A210 HydrophobicContact CD1-CB 3.78Å; L149-I212 HydrophobicContact CD1-CG1 4.07Å; L149-I212 HydrophobicContact CD2-CD1 3.97Å; L149-I212 HydrophobicContact CD2-CG1 4.25Å; L149-I247 HydrophobicContact CD2-CG2 3.83Å; L149-A251 HydrophobicContact CD2-CB 3.77Å
150	V	98.7	Very high	98.1	Very high	19 Å²	19	45.8 Å²	45.8	12%	0.115	24%	0.243	C	C	.	.	H	α-helix	trans	-65.3	-46.2	177.1	166.6	0	0	0	0	111.3	I106 R146 E147 V148 A153 R154 V162	I106-V150 HydrophobicContact CB-CG2 3.91Å; I106-V150 HydrophobicContact CG1-CG2 3.84Å; I106-V150 HydrophobicContact CG2-CG2 4.16Å; R146-V150 WeakPolarHBondContact O-CG2 3.39Å; R146-V150 PolarHBondContact O-N 2.91Å; E147-V150 PolarHBondContact O-N 3.39Å; V148-V150 VanDerWaalsContact C-N 3.33Å; V148-V150 PolarHBondContact O-N 3.34Å; V150-A153 PolarHBondContact O-N 3.08Å; V150-R154 WeakPolarHBondContact O-CB 3.42Å; V150-R154 PolarHBondContact O-N 3.29Å; V150-V162 HydrophobicContact CG1-CB 4.28Å; V150-V162 HydrophobicContact CG1-CG1 3.57Å; V150-V162 HydrophobicContact CG2-CB 4.12Å; V150-V162 HydrophobicContact CG2-CG1 4.18Å
151	E	98.6	Very high	98.1	Very high	114 Å²	114	47.7 Å²	47.7	53%	0.533	25%	0.251	S	S	.	.	H	α-helix	trans	-63.1	-43.5	178.9	-73.2	178.9	174.1	0	0	111.6	E147 V148 R154 S155	E147-E151 WeakPolarHBondContact O-CG 3.4Å; E147-E151 PolarHBondContact O-N 2.92Å; V148-E151 PolarHBondContact O-N 3.39Å; E151-R154 PolarHBondContact O-N 2.91Å; E151-S155 PolarHBondContact O-N 3.47Å
152	V	98.6	Very high	98.1	Very high	0 Å²	0	50.6 Å²	50.6	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-62.1	-50.1	175.6	166.5	0	0	0	0	111.1	V148 R154 S155 L156 I247 T250 A251	V148-V152 HydrophobicContact CG1-CG2 4.19Å; V148-V152 VanDerWaalsContact O-CB 3.31Å; V148-V152 WeakPolarHBondContact O-CB 3.27Å; V148-V152 VanDerWaalsContact O-CG2 3.24Å; V148-V152 WeakPolarHBondContact O-CG2 3.35Å; V148-V152 PolarHBondContact O-N 3.03Å; V152-R154 VanDerWaalsContact C-N 3.26Å; V152-R154 PolarHBondContact O-N 3.03Å; V152-S155 PolarHBondContact O-N 3.12Å; V152-S155 VanDerWaalsContact O-N 3.11Å; V152-S155 PolarHBondContact O-OG 3Å; V152-L156 HydrophobicContact CG1-CD1 3.79Å; V152-L156 HydrophobicContact CG1-CG 4.38Å; V152-L156 WeakPolarHBondContact O-CG 3.21Å; V152-L156 PolarHBondContact O-N 3.46Å; V152-I247 HydrophobicContact CG1-CB 4.37Å; V152-I247 HydrophobicContact CG1-CG1 4.47Å; V152-I247 HydrophobicContact CG1-CG2 4.12Å; V152-T250 HydrophobicContact CG1-CG2 3.78Å; V152-T250 HydrophobicContact CG2-CG2 4.16Å; V152-A251 HydrophobicContact CB-CB 4.36Å; V152-A251 HydrophobicContact CG1-CB 4.33Å; V152-A251 HydrophobicContact CG2-CB 3.99Å
153	A	97.9	Very high	98.1	Very high	0 Å²	0	58.3 Å²	58.3	0%	0	30%	0.296	C	S	.	.	H	α-helix	trans	-55.7	-43.3	177.5	0	0	0	0	0	111.6	L149 V150 L156 G157 V158 C160 I247	L149-A153 WeakPolarHBondContact O-CB 3.18Å; L149-A153 PolarHBondContact O-N 3.36Å; V150-A153 PolarHBondContact O-N 3.08Å; A153-L156 PolarHBondContact O-N 3.01Å; A153-G157 PolarHBondContact O-N 3.38Å; A153-V158 HydrophobicContact CB-CB 4.44Å; A153-V158 PolarHBondContact O-N 3.35Å; A153-C160 HydrophobicContact CB-CB 3.8Å; A153-I247 HydrophobicContact CB-CD1 3.87Å; A153-I247 HydrophobicContact CB-CG1 4.26Å
154	R	97.6	Very high	98.1	Very high	173 Å²	173	55.7 Å²	55.7	65%	0.653	28%	0.282	S	S	*	.	H	α-helix	trans	-61.6	-46.9	175.6	-173.5	-176.3	-65.3	154.4	1.4	112	V150 E151 V152 L156 G157	V150-R154 WeakPolarHBondContact O-CB 3.42Å; V150-R154 PolarHBondContact O-N 3.29Å; E151-R154 PolarHBondContact O-N 2.91Å; V152-R154 VanDerWaalsContact C-N 3.26Å; V152-R154 PolarHBondContact O-N 3.03Å; R154-L156 PolarHBondContact O-N 3.01Å; R154-G157 PolarHBondContact O-N 3.21Å
155	S	98.3	Very high	98.1	Very high	87 Å²	87	54 Å²	54	61%	0.608	28%	0.278	S	S	*	.	H	α-helix	trans	-63.1	-29.7	179.4	73.8	0	0	0	0	113.5	E151 V152 G157	E151-S155 PolarHBondContact O-N 3.47Å; V152-S155 PolarHBondContact O-N 3.12Å; V152-S155 VanDerWaalsContact O-N 3.11Å; V152-S155 PolarHBondContact O-OG 3Å; S155-G157 VanDerWaalsContact C-N 3.27Å
156	L	97.8	Very high	98.2	Very high	71 Å²	71	54 Å²	54	37%	0.372	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.7	-1.6	176.6	-66.1	173.9	0	0	0	112.7	V152 A153 R154 V158 I247	V152-L156 HydrophobicContact CG1-CD1 3.79Å; V152-L156 HydrophobicContact CG1-CG 4.38Å; V152-L156 WeakPolarHBondContact O-CG 3.21Å; V152-L156 PolarHBondContact O-N 3.46Å; A153-L156 PolarHBondContact O-N 3.01Å; R154-L156 PolarHBondContact O-N 3.01Å; L156-V158 HydrophobicContact CB-CG2 3.92Å; L156-V158 PolarHBondContact O-N 2.87Å; L156-I247 HydrophobicContact CD1-CG1 4Å
157	G	97.4	Very high	98.2	Very high	70 Å²	70	52.6 Å²	52.6	72%	0.722	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.3	19.2	-175	0	0	0	0	0	113.6	A153 R154 S155	A153-G157 PolarHBondContact O-N 3.38Å; R154-G157 PolarHBondContact O-N 3.21Å; S155-G157 VanDerWaalsContact C-N 3.27Å
158	V	96.6	Very high	98.2	Very high	20 Å²	20	47.3 Å²	47.3	12%	0.121	25%	0.248	C	C	.	.			trans	-79.3	125.3	178.1	177.1	0	0	0	0	109	I104 A153 L156 C160 K243 I247	I104-V158 HydrophobicContact CB-CG1 4.43Å; I104-V158 HydrophobicContact CG1-CG1 3.75Å; A153-V158 HydrophobicContact CB-CB 4.44Å; A153-V158 PolarHBondContact O-N 3.35Å; L156-V158 HydrophobicContact CB-CG2 3.92Å; L156-V158 PolarHBondContact O-N 2.87Å; V158-C160 PolarHBondContact O-N 2.87Å; V158-C160 VanDerWaalsContact O-N 3.16Å; V158-K243 HydrophobicContact CG1-CB 4.25Å; V158-K243 HydrophobicContact CG1-CD 4.31Å; V158-K243 HydrophobicContact CG1-CG 4.44Å; V158-K243 HydrophobicContact CG2-CB 4.4Å; V158-K243 HydrophobicContact CG2-CG 4.45Å; V158-I247 HydrophobicContact CG1-CD1 4.22Å
159	K	96.3	Very high	98.2	Very high	90 Å²	90	47.8 Å²	47.8	39%	0.391	25%	0.25	S	S	.	.			trans	-60.7	118	173.6	-173.9	164.2	171.7	-117.3	0	109.5	D103 I104	D103-K159 VanDerWaalsContact CG-NZ 3.27Å; D103-K159 WeakPolarHBondContact OD1-CD 3.32Å; D103-K159 WeakPolarHBondContact OD1-CG 3.23Å; D103-K159 IonicContact OD1-NZ 2.62Å; D103-K159 PolarHBondContact OD1-NZ 2.95Å; D103-K159 WeakPolarHBondContact OD2-CE 3.47Å; D103-K159 IonicContact OD2-NZ 3.61Å; D103-K159 PolarHBondContact OD2-NZ 2.88Å; I104-K159 PolarHBondContact N-O 3.21Å; I104-K159 VanDerWaalsContact N-O 3.13Å
160	C	96.9	Very high	98.2	Very high	32 Å²	32	48.6 Å²	48.6	22%	0.216	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	131.3	-168.6	-176	0	0	0	0	111.3	I104 A153 V158	I104-C160 HydrophobicContact CB-CB 4.49Å; I104-C160 CarbonylContact O-C 3.5Å; I104-C160 VanDerWaalsContact O-CA 3.28Å; I104-C160 WeakPolarHBondContact O-CA 3.17Å; A153-C160 HydrophobicContact CB-CB 3.8Å; V158-C160 PolarHBondContact O-N 2.87Å; V158-C160 VanDerWaalsContact O-N 3.16Å
161	H	98.6	Very high	98.1	Very high	41 Å²	41	48.5 Å²	48.5	19%	0.19	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	125.3	170.4	-58.8	-88.2	0	0	0	108.9	E98 D103 I104 V105 I106 R163	E98-H161 PolarHBondContact O-CE1 3.18Å; E98-H161 PolarHBondContact O-NE2 3.37Å; D103-H161 IonicContact OD2-CD2 2.92Å; D103-H161 IonicContact OD2-CE1 2.77Å; D103-H161 IonicContact OD2-NE2 2.72Å; D103-H161 PolarHBondContact OD2-NE2 2.73Å; I104-H161 PolarHBondContact O-N 3.03Å; V105-H161 HydrophobicContact CB-CB 4.41Å; V105-H161 HydrophobicContact CG1-CB 4.16Å; V105-H161 HydrophobicContact CG2-CB 4.13Å; I106-H161 PolarHBondContact N-O 3.17Å; H161-R163 VanDerWaalsContact C-N 3.27Å; H161-R163 PolarHBondContact O-N 3.22Å
162	V	98.4	Very high	98.1	Very high	64 Å²	64	47 Å²	47	39%	0.388	26%	0.257	S	S	.	.	S	Bend	trans	-81.2	-4.9	-169.3	-55.1	0	0	0	0	114.3	R146 V150	R146-V162 PolarHBondContact NH2-O 2.8Å; V150-V162 HydrophobicContact CG1-CB 4.28Å; V150-V162 HydrophobicContact CG1-CG1 3.57Å; V150-V162 HydrophobicContact CG2-CB 4.12Å; V150-V162 HydrophobicContact CG2-CG1 4.18Å
163	R	98.4	Very high	98.1	Very high	176 Å²	176	53.8 Å²	53.8	66%	0.664	28%	0.282	S	S	*	.			trans	-155.2	161.8	179.4	64.8	-177.9	70.6	-177.9	0.5	109.1	H161	H161-R163 VanDerWaalsContact C-N 3.27Å; H161-R163 PolarHBondContact O-N 3.22Å
164	G	98.7	Very high	98.1	Very high	1 Å²	1	57.5 Å²	57.5	1%	0.01	30%	0.299	C	S	.	.			trans	171.1	140.7	176.2	0	0	0	0	0	111.5	I107 D108 D189	I107-G164 WeakPolarHBondContact CA-O 3.13Å; I107-G164 WeakPolarHBondContact CB-O 3.44Å; D108-G164 PolarHBondContact N-O 3.49Å; D108-G164 VanDerWaalsContact N-O 3.16Å; D108-G164 PolarHBondContact OD1-N 2.98Å; G164-D189 WeakPolarHBondContact CA-OD2 3.32Å
165	T	98.9	Very high	98.1	Very high	31 Å²	31	49.9 Å²	49.9	19%	0.19	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	115.5	175.7	-57.7	0	0	0	0	110.2	Q109 I111 D189 V190	Q109-T165 HydrophobicContact CB-CG2 4.19Å; I111-T165 HydrophobicContact CD1-CG2 3.93Å; I111-T165 HydrophobicContact CG1-CG2 3.8Å; T165-D189 PolarHBondContact N-OD2 3.29Å; T165-D189 PolarHBondContact O-N 3.29Å; T165-V190 PolarHBondContact O-N 2.7Å
166	M	98.9	Very high	98.1	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	115.6	176	-179.1	64.4	74.9	0	0	111.7	T90 C92 I107 Q109 F110 I111 V190 N192 T195 A213	T90-M166 HydrophobicContact CG2-CE 4.14Å; C92-M166 HydrophobicContact CB-CE 3.75Å; C92-M166 HydrophobicContact CB-SD 4.25Å; I107-M166 HydrophobicContact CD1-CB 3.76Å; I107-M166 HydrophobicContact CD1-CE 4.22Å; I107-M166 HydrophobicContact CD1-CG 4.28Å; I107-M166 HydrophobicContact CG2-CB 4.35Å; I107-M166 HydrophobicContact CG2-CE 4.31Å; Q109-M166 PolarHBondContact O-N 2.68Å; F110-M166 CarbonylContact C-O 3.52Å; F110-M166 WeakPolarHBondContact CA-O 3.38Å; F110-M166 VanDerWaalsContact CB-O 3.29Å; F110-M166 WeakPolarHBondContact CB-O 3.32Å; I111-M166 PolarHBondContact N-O 3.36Å; M166-V190 CarbonylContact C-O 3.52Å; M166-V190 WeakPolarHBondContact CA-O 3.37Å; M166-V190 HydrophobicContact CB-CG2 4.28Å; M166-V190 HydrophobicContact CE-CB 4.09Å; M166-V190 HydrophobicContact CE-CG2 3.44Å; M166-V190 VanDerWaalsContact CE-CG2 3.44Å; M166-V190 HydrophobicContact SD-CB 4.17Å; M166-V190 HydrophobicContact SD-CG2 3.73Å; M166-N192 HydrophobicContact CE-CB 4.12Å; M166-N192 HydrophobicContact SD-CB 3.59Å; M166-N192 VanDerWaalsContact SD-CB 3.59Å; M166-N192 PolarHBondContact SD-N 2.9Å; M166-N192 VanDerWaalsContact SD-N 3.43Å; M166-T195 HydrophobicContact CG-CG2 4.27Å; M166-A213 HydrophobicContact CE-CB 3.73Å
167	L	98.9	Very high	98.1	Very high	0 Å²	0	50.6 Å²	50.6	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	120.8	167.5	-170.5	142.1	0	0	0	110.2	I111 R113 I169 F183 W186 A188 V190 I191 N192	I111-L167 HydrophobicContact CB-CB 4.43Å; I111-L167 HydrophobicContact CB-CD1 4.15Å; I111-L167 HydrophobicContact CB-CG 4.24Å; I111-L167 HydrophobicContact CG2-CD1 3.92Å; I111-L167 HydrophobicContact CG2-CG 4.29Å; I111-L167 WeakPolarHBondContact O-CA 3.37Å; R113-L167 HydrophobicContact CB-CD2 4.18Å; R113-L167 HydrophobicContact CG-CD1 4.2Å; R113-L167 HydrophobicContact CG-CD2 4.06Å; R113-L167 HydrophobicContact CG-CG 4.19Å; L167-I169 HydrophobicContact CD2-CG2 3.38Å; L167-F183 HydrophobicContact CD1-CB 3.78Å; L167-F183 HydrophobicContact CD1-CD1 3.26Å; L167-F183 HydrophobicContact CD1-CD2 4.16Å; L167-F183 HydrophobicContact CD1-CE1 3.81Å; L167-F183 HydrophobicContact CD1-CG 3.46Å; L167-F183 VanDerWaalsContact CD1-CG 3.46Å; L167-F183 HydrophobicContact CD1-CZ 4.46Å; L167-F183 HydrophobicContact CD2-CD1 4.12Å; L167-F183 HydrophobicContact CD2-CD2 3.81Å; L167-F183 HydrophobicContact CD2-CE1 4.06Å; L167-F183 HydrophobicContact CD2-CE2 3.76Å; L167-F183 HydrophobicContact CD2-CG 4Å; L167-F183 HydrophobicContact CD2-CZ 3.89Å; L167-F183 HydrophobicContact CG-CD1 4.33Å; L167-F183 HydrophobicContact CG-CG 4.33Å; L167-W186 HydrophobicContact CD1-CE3 3.87Å; L167-W186 HydrophobicContact CD1-CZ3 4.1Å; L167-A188 HydrophobicContact CB-CB 3.79Å; L167-A188 HydrophobicContact CD1-CB 4.14Å; L167-V190 PolarHBondContact N-O 2.77Å; L167-I191 HydrophobicContact CD2-CD1 3.99Å; L167-I191 HydrophobicContact CD2-CG1 4.04Å; L167-I191 CarbonylContact O-C 3.23Å; L167-I191 VanDerWaalsContact O-CA 3.28Å; L167-I191 WeakPolarHBondContact O-CA 3.37Å; L167-N192 PolarHBondContact O-N 3.24Å
168	T	98.9	Very high	98.2	Very high	0 Å²	0	50.7 Å²	50.7	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	110.8	178.5	-53	0	0	0	0	110.5	I111 R113 T114 N192 T195 V196	I111-T168 PolarHBondContact O-N 2.72Å; R113-T168 CarbonylContact C-O 3.59Å; R113-T168 VanDerWaalsContact C-O 3.23Å; R113-T168 WeakPolarHBondContact CA-O 3.32Å; R113-T168 WeakPolarHBondContact CB-O 3.21Å; R113-T168 PolarHBondContact N-O 3.31Å; T114-T168 HydrophobicContact CG2-CG2 3.66Å; T114-T168 PolarHBondContact N-O 3.19Å; T168-N192 CarbonylContact C-O 3.57Å; T168-N192 WeakPolarHBondContact CA-O 3.47Å; T168-N192 PolarHBondContact OG1-OD1 2.98Å; T168-T195 WeakPolarHBondContact OG1-CB 3.23Å; T168-V196 HydrophobicContact CG2-CB 4.07Å; T168-V196 PolarHBondContact OG1-N 3.39Å
169	I	98.9	Very high	98.3	Very high	15 Å²	15	51.4 Å²	51.4	8%	0.077	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	159.8	173.1	64.8	175.5	0	0	0	111.8	R113 R117 L167 F183 I191 N192 M193	R113-I169 HydrophobicContact CB-CG2 4.21Å; R117-I169 PolarHBondContact NH2-O 2.78Å; L167-I169 HydrophobicContact CD2-CG2 3.38Å; I169-F183 HydrophobicContact CG2-CE2 3.94Å; I169-F183 HydrophobicContact CG2-CZ 4.08Å; I169-I191 HydrophobicContact CD1-CD1 4.26Å; I169-I191 HydrophobicContact CG2-CD1 3.81Å; I169-I191 HydrophobicContact CG2-CG1 4.24Å; I169-N192 PolarHBondContact N-O 2.88Å; I169-M193 HydrophobicContact CD1-CE 4.11Å; I169-M193 HydrophobicContact CD1-CG 4.44Å; I169-M193 HydrophobicContact CG1-CG 3.88Å; I169-M193 WeakPolarHBondContact O-CA 3.5Å
170	E	98.8	Very high	98.4	Very high	16 Å²	16	47.1 Å²	47.1	8%	0.075	24%	0.242	C	C	.	.			trans	-63.2	-43.1	176	-173.5	57.1	-118.5	0	0	113.1	S67 R113 T115 K116 R117	S67-E170 WeakPolarHBondContact CA-OE1 3.39Å; S67-E170 WeakPolarHBondContact CB-OE1 3.26Å; S67-E170 PolarHBondContact OG-O 3.16Å; S67-E170 VanDerWaalsContact OG-O 3.1Å; S67-E170 PolarHBondContact OG-OE1 3.01Å; R113-E170 PolarHBondContact O-N 2.72Å; T115-E170 PolarHBondContact N-OE2 2.84Å; T115-E170 PolarHBondContact OG1-OE2 2.76Å; K116-E170 HydrophobicContact CD-CG 4.33Å; K116-E170 HydrophobicContact CG-CG 4.36Å; K116-E170 PolarHBondContact N-OE2 3.37Å; R117-E170 IonicContact CZ-OE1 3.29Å; R117-E170 IonicContact NE-OE1 3.58Å; R117-E170 PolarHBondContact NE-OE1 3.38Å; R117-E170 IonicContact NE-OE2 2.77Å; R117-E170 PolarHBondContact NH2-O 2.9Å; R117-E170 IonicContact NH2-OE1 2.7Å
171	G	97.8	Very high	98.5	Very high	17 Å²	17	49.1 Å²	49.1	18%	0.175	25%	0.25	C	S	.	.			trans	71.2	-165.8	-171.6	0	0	0	0	0	113.5	R173	G171-R173 VanDerWaalsContact C-N 3.28Å
172	P	97.3	Very high	98.5	Very high	83 Å²	83	50.1 Å²	50.1	54%	0.539	26%	0.256	S	S	.	.	S	Bend	cis	-79.5	-4.2	-2	34.2	-36.8	0	0	0	113.5	M65	M65-P172 HydrophobicContact SD-CB 4.28Å; M65-P172 HydrophobicContact SD-CG 4.04Å
173	R	98.3	Very high	98.5	Very high	142 Å²	142	47.1 Å²	47.1	54%	0.536	24%	0.238	S	C	.	.	S	Bend	trans	-66.7	148.1	172.8	65.9	168.1	-175.5	85	-4.4	111	G171 E179 M193	G171-R173 VanDerWaalsContact C-N 3.28Å; R173-E179 IonicContact CZ-OE1 3.59Å; R173-E179 IonicContact CZ-OE2 3.54Å; R173-E179 IonicContact NH1-OE1 3.54Å; R173-E179 IonicContact NH1-OE2 2.77Å; R173-E179 PolarHBondContact NH1-OE2 3.18Å; R173-E179 IonicContact NH2-OE1 2.72Å; R173-E179 PolarHBondContact NH2-OE1 3.37Å; R173-E179 IonicContact NH2-OE2 3.43Å; R173-E179 PolarHBondContact NH2-OE2 3.41Å; R173-M193 WeakPolarHBondContact O-CE 3.41Å
174	F	98.1	Very high	98.5	Very high	79 Å²	79	41.9 Å²	41.9	35%	0.346	22%	0.218	S	C	.	.	P	Polyproline II helix	trans	-67.8	169.2	161.5	-63.7	-70.1	0	0	0	111.1	M193 V228	F174-M193 HydrophobicContact CD1-CE 4.03Å; F174-M193 HydrophobicContact CE1-CE 4.23Å; F174-V228 HydrophobicContact CB-CG1 3.85Å; F174-V228 HydrophobicContact CD1-CG1 3.66Å; F174-V228 HydrophobicContact CD1-CG2 4Å; F174-V228 HydrophobicContact CD2-CG1 4.03Å; F174-V228 HydrophobicContact CE1-CG1 4.19Å; F174-V228 HydrophobicContact CE1-CG2 3.64Å; F174-V228 HydrophobicContact CE2-CG2 4.26Å; F174-V228 HydrophobicContact CG-CG1 3.57Å; F174-V228 HydrophobicContact CG-CG2 4.46Å; F174-V228 HydrophobicContact CZ-CG2 3.79Å
175	S	98.3	Very high	98.5	Very high	13 Å²	13	49.6 Å²	49.6	9%	0.091	25%	0.253	C	S	.	.	P	Polyproline II helix	trans	-71	151.4	179	-68	0	0	0	0	111.8	I191 C220	S175-I191 WeakPolarHBondContact OG-CD1 3.18Å; S175-C220 PolarHBondContact O-SG 3.45Å; S175-C220 VanDerWaalsContact O-SG 3.36Å
176	S	98.4	Very high	98.5	Very high	54 Å²	54	53.9 Å²	53.9	38%	0.378	27%	0.266	S	S	.	.	P	Polyproline II helix	trans	-72.8	158.9	159.7	64.5	0	0	0	0	109.8	A178 E179 S180 C220	S176-A178 VanDerWaalsContact C-N 3.26Å; S176-A178 PolarHBondContact O-N 3.41Å; S176-E179 PolarHBondContact N-OE2 2.66Å; S176-E179 WeakPolarHBondContact O-CB 3.28Å; S176-E179 PolarHBondContact O-N 3.02Å; S176-E179 VanDerWaalsContact O-N 3.11Å; S176-E179 VanDerWaalsContact OG-CG 3.28Å; S176-E179 WeakPolarHBondContact OG-CG 3.36Å; S176-E179 PolarHBondContact OG-N 2.85Å; S176-E179 PolarHBondContact OG-OE2 2.81Å; S176-S180 PolarHBondContact O-N 3.38Å; S176-C220 VanDerWaalsContact C-SG 3.51Å
177	R	97.4	Very high	98.5	Very high	118 Å²	118	55.4 Å²	55.4	45%	0.445	28%	0.282	S	S	.	.	H	α-helix	trans	-58.7	-38.1	176.9	-174.9	174	-66	157.5	-0	112.8	E179 S180 L181 C220	R177-E179 VanDerWaalsContact C-N 3.34Å; R177-E179 PolarHBondContact O-N 2.9Å; R177-S180 PolarHBondContact O-N 3.33Å; R177-L181 HydrophobicContact CG-CD1 4.01Å; R177-L181 HydrophobicContact CG-CG 4.28Å; R177-L181 WeakPolarHBondContact O-CB 3.45Å; R177-L181 VanDerWaalsContact O-CG 3.3Å; R177-L181 WeakPolarHBondContact O-CG 3.17Å; R177-L181 PolarHBondContact O-N 2.98Å; R177-C220 VanDerWaalsContact CA-SG 3.57Å; R177-C220 WeakPolarHBondContact CG-O 3.28Å; R177-C220 PolarHBondContact N-SG 3.04Å; R177-C220 PolarHBondContact NE-O 3.36Å; R177-C220 VanDerWaalsContact NE-O 3.1Å
178	A	98.4	Very high	98.5	Very high	73 Å²	73	55.4 Å²	55.4	60%	0.603	28%	0.282	S	S	*	.	H	α-helix	trans	-61.9	-42.3	176.8	0	0	0	0	0	111.9	S176 M182	S176-A178 VanDerWaalsContact C-N 3.26Å; S176-A178 PolarHBondContact O-N 3.41Å; A178-M182 VanDerWaalsContact O-CB 3.31Å; A178-M182 WeakPolarHBondContact O-CB 3.19Å; A178-M182 PolarHBondContact O-N 3.15Å
179	E	98.8	Very high	98.5	Very high	35 Å²	35	57 Å²	57	16%	0.164	29%	0.29	C	S	.	.	H	α-helix	trans	-63	-47.5	173.5	-72.5	168.5	137.1	0	0	111.2	R173 S176 R177 L181 M182 F183	R173-E179 IonicContact CZ-OE1 3.59Å; R173-E179 IonicContact CZ-OE2 3.54Å; R173-E179 IonicContact NH1-OE1 3.54Å; R173-E179 IonicContact NH1-OE2 2.77Å; R173-E179 PolarHBondContact NH1-OE2 3.18Å; R173-E179 IonicContact NH2-OE1 2.72Å; R173-E179 PolarHBondContact NH2-OE1 3.37Å; R173-E179 IonicContact NH2-OE2 3.43Å; R173-E179 PolarHBondContact NH2-OE2 3.41Å; S176-E179 PolarHBondContact N-OE2 2.66Å; S176-E179 WeakPolarHBondContact O-CB 3.28Å; S176-E179 PolarHBondContact O-N 3.02Å; S176-E179 VanDerWaalsContact O-N 3.11Å; S176-E179 VanDerWaalsContact OG-CG 3.28Å; S176-E179 WeakPolarHBondContact OG-CG 3.36Å; S176-E179 PolarHBondContact OG-N 2.85Å; S176-E179 PolarHBondContact OG-OE2 2.81Å; R177-E179 VanDerWaalsContact C-N 3.34Å; R177-E179 PolarHBondContact O-N 2.9Å; E179-L181 PolarHBondContact O-N 3.17Å; E179-M182 WeakPolarHBondContact O-CB 3.32Å; E179-M182 PolarHBondContact O-N 3.39Å; E179-M182 VanDerWaalsContact O-N 3.13Å; E179-F183 HydrophobicContact CB-CD2 4.4Å; E179-F183 HydrophobicContact CB-CE2 3.73Å; E179-F183 HydrophobicContact CB-CZ 3.87Å; E179-F183 HydrophobicContact CG-CZ 4.39Å; E179-F183 WeakPolarHBondContact O-CD2 3.45Å; E179-F183 WeakPolarHBondContact O-CG 3.37Å; E179-F183 PolarHBondContact O-N 3.39Å
180	S	98.6	Very high	98.5	Very high	0 Å²	0	56.3 Å²	56.3	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-56.7	-46.7	178.8	-161.2	0	0	0	0	112.5	S176 R177 F183 R184 D219 W221	S176-S180 PolarHBondContact O-N 3.38Å; R177-S180 PolarHBondContact O-N 3.33Å; S180-F183 PolarHBondContact O-N 2.93Å; S180-R184 WeakPolarHBondContact O-CG 3.44Å; S180-R184 PolarHBondContact O-N 2.93Å; S180-R184 VanDerWaalsContact O-N 3.14Å; S180-D219 WeakPolarHBondContact CB-OD2 3.48Å; S180-D219 PolarHBondContact OG-OD2 2.85Å; S180-W221 WeakPolarHBondContact OG-CB 3.46Å
181	L	98.5	Very high	98.5	Very high	74 Å²	74	55.9 Å²	55.9	39%	0.387	29%	0.285	S	S	.	.	H	α-helix	trans	-65.1	-39.4	176.2	-69	172.5	0	0	0	112.3	R177 E179 R184 Q185 W221	R177-L181 HydrophobicContact CG-CD1 4.01Å; R177-L181 HydrophobicContact CG-CG 4.28Å; R177-L181 WeakPolarHBondContact O-CB 3.45Å; R177-L181 VanDerWaalsContact O-CG 3.3Å; R177-L181 WeakPolarHBondContact O-CG 3.17Å; R177-L181 PolarHBondContact O-N 2.98Å; E179-L181 PolarHBondContact O-N 3.17Å; L181-R184 PolarHBondContact O-N 3.41Å; L181-Q185 WeakPolarHBondContact O-CG 3.38Å; L181-Q185 PolarHBondContact O-N 3.29Å; L181-W221 HydrophobicContact CD2-CB 4.17Å
182	M	98.8	Very high	98.5	Very high	62 Å²	62	55.5 Å²	55.5	31%	0.305	28%	0.279	S	S	.	.	H	α-helix	trans	-63	-45.1	175.4	178.4	-175.8	71.7	0	0	111.4	A178 E179 R184 Q185 W186	A178-M182 VanDerWaalsContact O-CB 3.31Å; A178-M182 WeakPolarHBondContact O-CB 3.19Å; A178-M182 PolarHBondContact O-N 3.15Å; E179-M182 WeakPolarHBondContact O-CB 3.32Å; E179-M182 PolarHBondContact O-N 3.39Å; E179-M182 VanDerWaalsContact O-N 3.13Å; M182-R184 VanDerWaalsContact C-N 3.29Å; M182-R184 PolarHBondContact O-N 2.92Å; M182-Q185 WeakPolarHBondContact O-CB 3.25Å; M182-Q185 PolarHBondContact O-N 3.44Å; M182-W186 HydrophobicContact CE-CH2 3.77Å; M182-W186 HydrophobicContact CE-CZ2 3.64Å; M182-W186 HydrophobicContact CE-CZ3 4.49Å; M182-W186 HydrophobicContact CG-CZ2 3.94Å; M182-W186 PolarHBondContact O-N 2.99Å; M182-W186 VanDerWaalsContact O-N 3.09Å; M182-W186 HydrophobicContact SD-CH2 4.38Å; M182-W186 HydrophobicContact SD-CZ2 3.65Å
183	F	98.8	Very high	98.6	Very high	1 Å²	1	53 Å²	53	0%	0.004	26%	0.26	C	S	.	.	H	α-helix	trans	-62.3	-36.9	179.5	-61.6	-27.9	0	0	0	112.6	L95 R113 L167 I169 E179 S180 Q185 W186 G187 A188 I191	L95-F183 HydrophobicContact CD1-CB 3.92Å; R113-F183 HydrophobicContact CG-CE1 4.1Å; R113-F183 HydrophobicContact CG-CZ 4.47Å; L167-F183 HydrophobicContact CD1-CB 3.78Å; L167-F183 HydrophobicContact CD1-CD1 3.26Å; L167-F183 HydrophobicContact CD1-CD2 4.16Å; L167-F183 HydrophobicContact CD1-CE1 3.81Å; L167-F183 HydrophobicContact CD1-CG 3.46Å; L167-F183 VanDerWaalsContact CD1-CG 3.46Å; L167-F183 HydrophobicContact CD1-CZ 4.46Å; L167-F183 HydrophobicContact CD2-CD1 4.12Å; L167-F183 HydrophobicContact CD2-CD2 3.81Å; L167-F183 HydrophobicContact CD2-CE1 4.06Å; L167-F183 HydrophobicContact CD2-CE2 3.76Å; L167-F183 HydrophobicContact CD2-CG 4Å; L167-F183 HydrophobicContact CD2-CZ 3.89Å; L167-F183 HydrophobicContact CG-CD1 4.33Å; L167-F183 HydrophobicContact CG-CG 4.33Å; I169-F183 HydrophobicContact CG2-CE2 3.94Å; I169-F183 HydrophobicContact CG2-CZ 4.08Å; E179-F183 HydrophobicContact CB-CD2 4.4Å; E179-F183 HydrophobicContact CB-CE2 3.73Å; E179-F183 HydrophobicContact CB-CZ 3.87Å; E179-F183 HydrophobicContact CG-CZ 4.39Å; E179-F183 WeakPolarHBondContact O-CD2 3.45Å; E179-F183 WeakPolarHBondContact O-CG 3.37Å; E179-F183 PolarHBondContact O-N 3.39Å; S180-F183 PolarHBondContact O-N 2.93Å; F183-Q185 VanDerWaalsContact C-N 3.33Å; F183-Q185 PolarHBondContact O-N 3.32Å; F183-W186 HydrophobicContact CD1-CD2 4.46Å; F183-W186 AromaticContact CD1-CE3 3.91Å; F183-W186 HydrophobicContact CD1-CE3 3.91Å; F183-W186 HydrophobicContact CD1-CH2 4.42Å; F183-W186 AromaticContact CD1-CZ3 3.9Å; F183-W186 HydrophobicContact CD1-CZ3 3.9Å; F183-W186 HydrophobicContact CE1-CE3 4.43Å; F183-W186 HydrophobicContact CE1-CH2 4.25Å; F183-W186 AromaticContact CE1-CZ3 3.95Å; F183-W186 HydrophobicContact CE1-CZ3 3.95Å; F183-W186 WeakPolarHBondContact O-CB 3.46Å; F183-W186 PolarHBondContact O-N 3.41Å; F183-G187 PolarHBondContact O-N 2.95Å; F183-A188 HydrophobicContact CB-CB 4.4Å; F183-A188 WeakPolarHBondContact O-CB 3.47Å; F183-A188 PolarHBondContact O-N 3.18Å; F183-A188 VanDerWaalsContact O-N 3.14Å; F183-I191 HydrophobicContact CD2-CD1 3.83Å; F183-I191 HydrophobicContact CE2-CD1 3.88Å
184	R	98.6	Very high	98.6	Very high	66 Å²	66	46.6 Å²	46.6	25%	0.249	24%	0.237	C	C	.	.	H	α-helix	trans	-60.2	-41	171.6	-73	168.7	52.4	91.8	-7.9	112.5	L95 R96 S180 L181 M182 W186 G187	L95-R184 HydrophobicContact CB-CG 3.91Å; L95-R184 HydrophobicContact CD2-CG 4.38Å; L95-R184 WeakPolarHBondContact O-CG 3.19Å; L95-R184 PolarHBondContact O-NH1 2.81Å; R96-R184 PolarHBondContact NH2-O 2.83Å; S180-R184 WeakPolarHBondContact O-CG 3.44Å; S180-R184 PolarHBondContact O-N 2.93Å; S180-R184 VanDerWaalsContact O-N 3.14Å; L181-R184 PolarHBondContact O-N 3.41Å; M182-R184 VanDerWaalsContact C-N 3.29Å; M182-R184 PolarHBondContact O-N 2.92Å; R184-W186 VanDerWaalsContact C-N 3.3Å; R184-W186 PolarHBondContact O-N 3.49Å; R184-G187 PolarHBondContact O-N 3.49Å
185	Q	98.6	Very high	98.6	Very high	162 Å²	162	42.9 Å²	42.9	76%	0.757	22%	0.221	S	C	*	.	H	α-helix	trans	-67.2	-30.2	176.9	-66.9	176.2	26.7	0	0	112.4	L181 M182 F183 G187	L181-Q185 WeakPolarHBondContact O-CG 3.38Å; L181-Q185 PolarHBondContact O-N 3.29Å; M182-Q185 WeakPolarHBondContact O-CB 3.25Å; M182-Q185 PolarHBondContact O-N 3.44Å; F183-Q185 VanDerWaalsContact C-N 3.33Å; F183-Q185 PolarHBondContact O-N 3.32Å; Q185-G187 PolarHBondContact O-N 3.41Å
186	W	98.7	Very high	98.7	Very high	122 Å²	122	42.2 Å²	42.2	46%	0.462	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72.3	-10.1	174.2	-64.4	-2.6	0	0	0	113.8	I111 R113 L167 M182 F183 R184	I111-W186 HydrophobicContact CD1-CB 4.2Å; I111-W186 HydrophobicContact CG2-CE3 4.03Å; I111-W186 HydrophobicContact CG2-CZ3 4.11Å; R113-W186 HydrophobicContact CG-CZ3 3.96Å; L167-W186 HydrophobicContact CD1-CE3 3.87Å; L167-W186 HydrophobicContact CD1-CZ3 4.1Å; M182-W186 HydrophobicContact CE-CH2 3.77Å; M182-W186 HydrophobicContact CE-CZ2 3.64Å; M182-W186 HydrophobicContact CE-CZ3 4.49Å; M182-W186 HydrophobicContact CG-CZ2 3.94Å; M182-W186 PolarHBondContact O-N 2.99Å; M182-W186 VanDerWaalsContact O-N 3.09Å; M182-W186 HydrophobicContact SD-CH2 4.38Å; M182-W186 HydrophobicContact SD-CZ2 3.65Å; F183-W186 HydrophobicContact CD1-CD2 4.46Å; F183-W186 AromaticContact CD1-CE3 3.91Å; F183-W186 HydrophobicContact CD1-CE3 3.91Å; F183-W186 HydrophobicContact CD1-CH2 4.42Å; F183-W186 AromaticContact CD1-CZ3 3.9Å; F183-W186 HydrophobicContact CD1-CZ3 3.9Å; F183-W186 HydrophobicContact CE1-CE3 4.43Å; F183-W186 HydrophobicContact CE1-CH2 4.25Å; F183-W186 AromaticContact CE1-CZ3 3.95Å; F183-W186 HydrophobicContact CE1-CZ3 3.95Å; F183-W186 WeakPolarHBondContact O-CB 3.46Å; F183-W186 PolarHBondContact O-N 3.41Å; R184-W186 VanDerWaalsContact C-N 3.3Å; R184-W186 PolarHBondContact O-N 3.49Å
187	G	98.7	Very high	98.7	Very high	31 Å²	31	39.7 Å²	39.7	32%	0.32	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	92.7	8.8	-177	0	0	0	0	0	114.4	R96 F183 R184 Q185	R96-G187 VanDerWaalsContact NH2-CA 3.32Å; R96-G187 PolarHBondContact NH2-O 3.48Å; F183-G187 PolarHBondContact O-N 2.95Å; R184-G187 PolarHBondContact O-N 3.49Å; Q185-G187 PolarHBondContact O-N 3.41Å
188	A	98.9	Very high	98.7	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	18%	0.177	C	C	.	.			trans	-67.2	141.5	174.2	0	0	0	0	0	111.5	L95 R96 I111 L167 F183	L95-A188 HydrophobicContact CD1-CB 3.63Å; R96-A188 PolarHBondContact NE-O 3.4Å; R96-A188 PolarHBondContact NH2-O 2.87Å; I111-A188 HydrophobicContact CD1-CB 4.35Å; L167-A188 HydrophobicContact CB-CB 3.79Å; L167-A188 HydrophobicContact CD1-CB 4.14Å; F183-A188 HydrophobicContact CB-CB 4.4Å; F183-A188 WeakPolarHBondContact O-CB 3.47Å; F183-A188 PolarHBondContact O-N 3.18Å; F183-A188 VanDerWaalsContact O-N 3.14Å
189	D	98.9	Very high	98.8	Very high	34 Å²	34	30.6 Å²	30.6	18%	0.182	15%	0.149	C	C	.	.			trans	-108.2	-35	-176.1	-58.1	-53.1	0	0	0	112.5	L95 R96 I99 G164 T165	L95-D189 WeakPolarHBondContact CA-O 3.34Å; L95-D189 WeakPolarHBondContact CB-O 3.35Å; L95-D189 PolarHBondContact N-O 3.28Å; R96-D189 HydrophobicContact CG-CB 4.08Å; R96-D189 IonicContact CZ-OD1 3.44Å; R96-D189 IonicContact NE-OD1 2.8Å; R96-D189 PolarHBondContact NE-OD1 2.93Å; R96-D189 IonicContact NH2-OD1 3.54Å; R96-D189 PolarHBondContact NH2-OD1 2.83Å; I99-D189 HydrophobicContact CD1-CB 3.95Å; G164-D189 WeakPolarHBondContact CA-OD2 3.32Å; T165-D189 PolarHBondContact N-OD2 3.29Å; T165-D189 PolarHBondContact O-N 3.29Å
190	V	98.9	Very high	98.8	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	154.6	176.8	-73.4	0	0	0	0	109.9	C92 G93 I99 V105 I107 T165 M166 L167	C92-V190 HydrophobicContact CB-CB 4.16Å; G93-V190 CarbonylContact O-C 3.51Å; G93-V190 VanDerWaalsContact O-CA 3.25Å; G93-V190 WeakPolarHBondContact O-CA 3.31Å; I99-V190 HydrophobicContact CD1-CG1 4.18Å; I99-V190 HydrophobicContact CG2-CG1 4.19Å; V105-V190 HydrophobicContact CG2-CG1 4.02Å; I107-V190 HydrophobicContact CG2-CG2 3.9Å; T165-V190 PolarHBondContact O-N 2.7Å; M166-V190 CarbonylContact C-O 3.52Å; M166-V190 WeakPolarHBondContact CA-O 3.37Å; M166-V190 HydrophobicContact CB-CG2 4.28Å; M166-V190 HydrophobicContact CE-CB 4.09Å; M166-V190 HydrophobicContact CE-CG2 3.44Å; M166-V190 VanDerWaalsContact CE-CG2 3.44Å; M166-V190 HydrophobicContact SD-CB 4.17Å; M166-V190 HydrophobicContact SD-CG2 3.73Å; L167-V190 PolarHBondContact N-O 2.77Å
191	I	98.9	Very high	98.8	Very high	8 Å²	8	29.5 Å²	29.5	4%	0.041	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	132.4	-177.7	-177.3	171.2	0	0	0	111	C92 G93 L95 L167 I169 S175 F183 D219	C92-I191 CarbonylContact C-O 3.44Å; C92-I191 WeakPolarHBondContact CA-O 3.21Å; C92-I191 WeakPolarHBondContact CB-O 3.36Å; G93-I191 PolarHBondContact N-O 3.05Å; G93-I191 WeakPolarHBondContact O-CG2 3.29Å; G93-I191 PolarHBondContact O-N 2.78Å; L95-I191 HydrophobicContact CD1-CB 4.13Å; L95-I191 HydrophobicContact CD1-CG2 4.46Å; L95-I191 HydrophobicContact CD2-CG2 4.05Å; L95-I191 HydrophobicContact CG-CB 4.31Å; L95-I191 HydrophobicContact CG-CG2 4.11Å; L167-I191 HydrophobicContact CD2-CD1 3.99Å; L167-I191 HydrophobicContact CD2-CG1 4.04Å; L167-I191 CarbonylContact O-C 3.23Å; L167-I191 VanDerWaalsContact O-CA 3.28Å; L167-I191 WeakPolarHBondContact O-CA 3.37Å; I169-I191 HydrophobicContact CD1-CD1 4.26Å; I169-I191 HydrophobicContact CG2-CD1 3.81Å; I169-I191 HydrophobicContact CG2-CG1 4.24Å; S175-I191 WeakPolarHBondContact OG-CD1 3.18Å; F183-I191 HydrophobicContact CD2-CD1 3.83Å; F183-I191 HydrophobicContact CE2-CD1 3.88Å; I191-D219 HydrophobicContact CG2-CB 4.08Å
192	N	98.6	Very high	98.8	Very high	8 Å²	8	26 Å²	26	4%	0.043	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142	-169	173.4	80.9	1.1	0	0	0	111.7	T90 C92 M166 L167 T168 I169 T194 T195	T90-N192 PolarHBondContact OG1-ND2 3.44Å; C92-N192 HydrophobicContact CB-CB 4.12Å; M166-N192 HydrophobicContact CE-CB 4.12Å; M166-N192 HydrophobicContact SD-CB 3.59Å; M166-N192 VanDerWaalsContact SD-CB 3.59Å; M166-N192 PolarHBondContact SD-N 2.9Å; M166-N192 VanDerWaalsContact SD-N 3.43Å; L167-N192 PolarHBondContact O-N 3.24Å; T168-N192 CarbonylContact C-O 3.57Å; T168-N192 WeakPolarHBondContact CA-O 3.47Å; T168-N192 PolarHBondContact OG1-OD1 2.98Å; I169-N192 PolarHBondContact N-O 2.88Å; N192-T194 PolarHBondContact OD1-N 2.93Å; N192-T195 PolarHBondContact ND2-N 2.8Å; N192-T195 PolarHBondContact ND2-OG1 3.02Å; N192-T195 PolarHBondContact OD1-N 3.49Å
193	M	98.8	Very high	98.8	Very high	30 Å²	30	24 Å²	24	15%	0.148	12%	0.115	C	C	.	.	S	Bend	trans	-123	6.6	178.5	-54.3	-174.4	-173.3	0	0	113.8	P66 R117 I169 R173 F174	P66-M193 HydrophobicContact CB-CB 3.59Å; P66-M193 WeakPolarHBondContact CB-O 3.21Å; P66-M193 HydrophobicContact CG-CB 3.67Å; P66-M193 HydrophobicContact CG-CG 4.41Å; P66-M193 HydrophobicContact CG-SD 3.89Å; R117-M193 VanDerWaalsContact CZ-O 3.24Å; R117-M193 PolarHBondContact NH1-O 3.05Å; R117-M193 PolarHBondContact NH2-O 3.49Å; I169-M193 HydrophobicContact CD1-CE 4.11Å; I169-M193 HydrophobicContact CD1-CG 4.44Å; I169-M193 HydrophobicContact CG1-CG 3.88Å; I169-M193 WeakPolarHBondContact O-CA 3.5Å; R173-M193 WeakPolarHBondContact O-CE 3.41Å; F174-M193 HydrophobicContact CD1-CE 4.03Å; F174-M193 HydrophobicContact CE1-CE 4.23Å
194	T	98.8	Very high	98.8	Very high	8 Å²	8	24.3 Å²	24.3	5%	0.049	12%	0.117	C	C	.	.	S	Bend	trans	-134.7	-13.5	-165.4	57.4	0	0	0	0	116.1	P66 T90 N192 V196	P66-T194 HydrophobicContact CB-CG2 4.1Å; P66-T194 HydrophobicContact CG-CG2 4.42Å; T90-T194 PolarHBondContact OG1-OG1 3.17Å; N192-T194 PolarHBondContact OD1-N 2.93Å; T194-V196 VanDerWaalsContact C-N 3.34Å; T194-V196 PolarHBondContact O-N 3.11Å
195	T	98.9	Very high	98.8	Very high	1 Å²	1	21.8 Å²	21.8	1%	0.006	11%	0.11	C	C	.	.	H	α-helix	trans	-65.1	-40.7	-176.7	-72.4	0	0	0	0	111.7	I107 F110 F141 M166 T168 N192 E198 V199	I107-T195 HydrophobicContact CD1-CG2 4.21Å; F110-T195 HydrophobicContact CB-CG2 4.34Å; F141-T195 HydrophobicContact CE1-CG2 4.41Å; F141-T195 HydrophobicContact CZ-CG2 3.98Å; M166-T195 HydrophobicContact CG-CG2 4.27Å; T168-T195 WeakPolarHBondContact OG1-CB 3.23Å; N192-T195 PolarHBondContact ND2-N 2.8Å; N192-T195 PolarHBondContact ND2-OG1 3.02Å; N192-T195 PolarHBondContact OD1-N 3.49Å; T195-E198 PolarHBondContact O-N 3.43Å; T195-E198 VanDerWaalsContact O-N 3.12Å; T195-V199 HydrophobicContact CG2-CB 4.48Å; T195-V199 HydrophobicContact CG2-CG1 4.11Å; T195-V199 WeakPolarHBondContact O-CG1 3.44Å; T195-V199 PolarHBondContact O-N 3.44Å
196	V	98.9	Very high	98.8	Very high	0 Å²	0	14.3 Å²	14.3	0%	0	8%	0.077	C	C	.	.	H	α-helix	trans	-98.8	130.4	172.4	-175.7	0	0	0	0	109.8	F110 D112 T114 R117 T168 T194	F110-V196 HydrophobicContact CB-CG2 4.37Å; F110-V196 HydrophobicContact CD2-CG2 3.33Å; F110-V196 HydrophobicContact CE2-CG2 3.63Å; F110-V196 HydrophobicContact CG-CG2 3.86Å; F110-V196 HydrophobicContact CZ-CG2 4.36Å; D112-V196 HydrophobicContact CB-CG1 4.27Å; D112-V196 HydrophobicContact CB-CG2 4.37Å; T114-V196 HydrophobicContact CG2-CB 4.25Å; T114-V196 HydrophobicContact CG2-CG1 4.46Å; R117-V196 PolarHBondContact NH1-O 2.65Å; T168-V196 HydrophobicContact CG2-CB 4.07Å; T168-V196 PolarHBondContact OG1-N 3.39Å; T194-V196 VanDerWaalsContact C-N 3.34Å; T194-V196 PolarHBondContact O-N 3.11Å
197	P	98.9	Very high	98.8	Very high	0 Å²	0	8.9 Å²	8.9	0%	0	6%	0.057	C	C	.	.	H	α-helix	cis	-96.1	12.4	6.8	37.6	-35.6	0	0	0	115.4	Y71 R117 P118 Q119 V199 V200 L201	Y71-P197 HydrophobicContact CD2-CG 3.86Å; Y71-P197 HydrophobicContact CG-CG 3.91Å; R117-P197 HydrophobicContact CB-CG 4.2Å; P118-P197 VanDerWaalsContact O-CG 3.31Å; P118-P197 WeakPolarHBondContact O-CG 3.43Å; Q119-P197 HydrophobicContact CB-CB 4Å; Q119-P197 HydrophobicContact CG-CB 3.94Å; P197-V199 VanDerWaalsContact C-N 3.32Å; P197-V199 PolarHBondContact O-N 2.88Å; P197-V200 WeakPolarHBondContact O-CB 3.48Å; P197-V200 PolarHBondContact O-N 2.97Å; P197-L201 HydrophobicContact CB-CD1 4.18Å; P197-L201 HydrophobicContact CB-CG 4.37Å; P197-L201 HydrophobicContact CG-CD1 4.01Å; P197-L201 WeakPolarHBondContact O-CG 3.33Å; P197-L201 PolarHBondContact O-N 3.41Å
198	E	98.9	Very high	98.8	Very high	1 Å²	1	7.5 Å²	7.5	1%	0.005	4%	0.042	C	C	.	.	H	α-helix	trans	-53.7	-45.4	-175.3	-163.7	173.9	86.6	0	0	113	I12 R57 Y71 I75 T195 V200 A202 Y209	I12-E198 HydrophobicContact CD1-CG 4.23Å; R57-E198 IonicContact CZ-OE1 3.01Å; R57-E198 IonicContact CZ-OE2 3.43Å; R57-E198 IonicContact NE-OE1 3.78Å; R57-E198 IonicContact NE-OE2 3.92Å; R57-E198 PolarHBondContact NE-OE2 3.49Å; R57-E198 IonicContact NH2-OE1 2.9Å; R57-E198 PolarHBondContact NH2-OE1 3.26Å; R57-E198 IonicContact NH2-OE2 2.72Å; R57-E198 PolarHBondContact NH2-OE2 3.01Å; Y71-E198 HydrophobicContact CD1-CB 3.9Å; Y71-E198 HydrophobicContact CD1-CG 4.4Å; Y71-E198 HydrophobicContact CE1-CB 4.32Å; I75-E198 HydrophobicContact CD1-CG 3.94Å; T195-E198 PolarHBondContact O-N 3.43Å; T195-E198 VanDerWaalsContact O-N 3.12Å; E198-V200 PolarHBondContact O-N 3.44Å; E198-A202 WeakPolarHBondContact O-CB 3.42Å; E198-A202 PolarHBondContact O-N 2.84Å; E198-Y209 HydrophobicContact CG-CE2 3.89Å; E198-Y209 PolarHBondContact OE1-OH 3.3Å
199	V	98.9	Very high	98.8	Very high	0 Å²	0	7.7 Å²	7.7	0%	0	4%	0.043	C	C	.	.	H	α-helix	trans	-65.3	-36.3	176.8	66	0	0	0	0	113	F110 P140 F141 T195 P197 K203 Y209	F110-V199 HydrophobicContact CD1-CG1 3.79Å; F110-V199 HydrophobicContact CE1-CG1 3.69Å; F110-V199 HydrophobicContact CZ-CG1 4.4Å; P140-V199 HydrophobicContact CB-CG2 3.94Å; P140-V199 VanDerWaalsContact O-CG2 3.28Å; P140-V199 WeakPolarHBondContact O-CG2 3.29Å; F141-V199 HydrophobicContact CD1-CG2 4.16Å; F141-V199 HydrophobicContact CE1-CG2 4.02Å; F141-V199 HydrophobicContact CG-CG2 4.49Å; F141-V199 HydrophobicContact CZ-CG2 4.19Å; T195-V199 HydrophobicContact CG2-CB 4.48Å; T195-V199 HydrophobicContact CG2-CG1 4.11Å; T195-V199 WeakPolarHBondContact O-CG1 3.44Å; T195-V199 PolarHBondContact O-N 3.44Å; P197-V199 VanDerWaalsContact C-N 3.32Å; P197-V199 PolarHBondContact O-N 2.88Å; V199-K203 PolarHBondContact O-N 3.47Å; V199-K203 VanDerWaalsContact O-N 3.17Å; V199-Y209 HydrophobicContact CB-CD1 3.92Å; V199-Y209 HydrophobicContact CB-CE1 3.57Å; V199-Y209 HydrophobicContact CG2-CD1 3.57Å; V199-Y209 HydrophobicContact CG2-CE1 3.69Å; V199-Y209 HydrophobicContact CG2-CG 4.42Å
200	V	98.9	Very high	98.8	Very high	12 Å²	12	6.1 Å²	6.1	7%	0.073	3%	0.034	C	C	.	.	H	α-helix	trans	-67.6	-50.6	-177.8	178	0	0	0	0	109.8	F110 Q119 I135 M137 P197 E198 A202 K203 E204	F110-V200 HydrophobicContact CZ-CG2 4.03Å; Q119-V200 WeakPolarHBondContact O-CG1 3.4Å; I135-V200 HydrophobicContact CG2-CG1 4.14Å; M137-V200 HydrophobicContact CE-CB 4.17Å; M137-V200 HydrophobicContact CE-CG1 4Å; M137-V200 HydrophobicContact CE-CG2 4.32Å; M137-V200 HydrophobicContact SD-CG2 4.28Å; P197-V200 WeakPolarHBondContact O-CB 3.48Å; P197-V200 PolarHBondContact O-N 2.97Å; E198-V200 PolarHBondContact O-N 3.44Å; V200-A202 VanDerWaalsContact C-N 3.34Å; V200-A202 PolarHBondContact O-N 2.66Å; V200-K203 VanDerWaalsContact O-CB 3.32Å; V200-K203 WeakPolarHBondContact O-CB 2.91Å; V200-K203 PolarHBondContact O-N 2.84Å; V200-K203 VanDerWaalsContact O-N 3.15Å; V200-E204 PolarHBondContact O-N 3.16Å; V200-E204 VanDerWaalsContact O-N 3.08Å
201	L	98.9	Very high	98.8	Very high	0 Å²	0	6.1 Å²	6.1	0%	0	4%	0.035	C	C	.	.	H	α-helix	trans	-65.5	-37.6	-179.9	-65.3	167.6	0	0	0	111.4	Q72 I75 L121 P197 K203 E204 A205	Q72-L201 HydrophobicContact CG-CD1 4.07Å; Q72-L201 HydrophobicContact CG-CD2 4.09Å; I75-L201 HydrophobicContact CB-CB 4.2Å; I75-L201 HydrophobicContact CG1-CB 3.89Å; I75-L201 HydrophobicContact CG2-CB 4.22Å; L121-L201 HydrophobicContact CD2-CD2 3.96Å; L121-L201 HydrophobicContact CG-CD2 3.89Å; P197-L201 HydrophobicContact CB-CD1 4.18Å; P197-L201 HydrophobicContact CB-CG 4.37Å; P197-L201 HydrophobicContact CG-CD1 4.01Å; P197-L201 WeakPolarHBondContact O-CG 3.33Å; P197-L201 PolarHBondContact O-N 3.41Å; L201-K203 VanDerWaalsContact C-N 3.27Å; L201-K203 PolarHBondContact O-N 2.68Å; L201-E204 PolarHBondContact O-N 2.98Å; L201-A205 WeakPolarHBondContact O-CB 3.44Å; L201-A205 PolarHBondContact O-N 3.01Å
202	A	98.9	Very high	98.7	Very high	0 Å²	0	5.8 Å²	5.8	0%	0	3%	0.033	C	C	.	.	H	α-helix	trans	-61.8	-36.5	174.8	0	0	0	0	0	112.2	I75 L86 E198 V200 A205 G206 L207 Y209	I75-A202 HydrophobicContact CD1-CB 4.1Å; L86-A202 HydrophobicContact CD1-CB 3.96Å; E198-A202 WeakPolarHBondContact O-CB 3.42Å; E198-A202 PolarHBondContact O-N 2.84Å; V200-A202 VanDerWaalsContact C-N 3.34Å; V200-A202 PolarHBondContact O-N 2.66Å; A202-A205 PolarHBondContact O-N 3.21Å; A202-G206 PolarHBondContact O-N 2.85Å; A202-L207 WeakPolarHBondContact O-CB 3.28Å; A202-L207 PolarHBondContact O-N 2.83Å; A202-Y209 HydrophobicContact CB-CD2 3.56Å; A202-Y209 HydrophobicContact CB-CE2 4.41Å; A202-Y209 HydrophobicContact CB-CG 3.86Å
203	K	98.8	Very high	98.7	Very high	19 Å²	19	5.4 Å²	5.4	8%	0.083	3%	0.031	C	C	.	.	H	α-helix	trans	-67.5	-45.2	175.3	-159.9	79.9	167.1	-172.7	0	111.8	I135 M137 E139 V199 V200 L201 A205 G206 L267	I135-K203 HydrophobicContact CD1-CG 4.07Å; I135-K203 HydrophobicContact CG1-CB 4.02Å; I135-K203 HydrophobicContact CG1-CG 3.65Å; M137-K203 HydrophobicContact CE-CB 3.43Å; M137-K203 VanDerWaalsContact CE-CB 3.43Å; M137-K203 HydrophobicContact CE-CG 3.66Å; E139-K203 PolarHBondContact O-NZ 2.79Å; V199-K203 PolarHBondContact O-N 3.47Å; V199-K203 VanDerWaalsContact O-N 3.17Å; V200-K203 VanDerWaalsContact O-CB 3.32Å; V200-K203 WeakPolarHBondContact O-CB 2.91Å; V200-K203 PolarHBondContact O-N 2.84Å; V200-K203 VanDerWaalsContact O-N 3.15Å; L201-K203 VanDerWaalsContact C-N 3.27Å; L201-K203 PolarHBondContact O-N 2.68Å; K203-A205 VanDerWaalsContact C-N 3.25Å; K203-A205 PolarHBondContact O-N 2.81Å; K203-G206 PolarHBondContact O-N 2.94Å; K203-L267 HydrophobicContact CD-CD2 4.26Å
204	E	98.8	Very high	98.6	Very high	9 Å²	9	4 Å²	4	4%	0.042	2%	0.024	C	C	.	.	H	α-helix	trans	-61.1	-35.4	174.1	-70.5	-166.1	158.8	0	0	112.1	T120 L121 Y122 C133 I135 V200 L201 G206 A271	T120-E204 WeakPolarHBondContact CA-OE2 3.43Å; T120-E204 WeakPolarHBondContact CB-OE1 3.32Å; T120-E204 VanDerWaalsContact OG1-CD 3.31Å; T120-E204 PolarHBondContact OG1-OE1 3.34Å; T120-E204 PolarHBondContact OG1-OE2 3.36Å; T120-E204 VanDerWaalsContact OG1-OE2 3.09Å; L121-E204 HydrophobicContact CD1-CB 4.26Å; L121-E204 PolarHBondContact N-OE2 3.1Å; Y122-E204 HydrophobicContact CE2-CB 4.47Å; C133-E204 PolarHBondContact SG-OE1 2.88Å; I135-E204 HydrophobicContact CB-CG 3.87Å; I135-E204 HydrophobicContact CG1-CG 4.13Å; I135-E204 HydrophobicContact CG2-CG 3.81Å; V200-E204 PolarHBondContact O-N 3.16Å; V200-E204 VanDerWaalsContact O-N 3.08Å; L201-E204 PolarHBondContact O-N 2.98Å; E204-G206 PolarHBondContact O-N 2.85Å; E204-A271 WeakPolarHBondContact O-CB 3.11Å
205	A	98.5	Very high	98.5	Very high	12 Å²	12	3.6 Å²	3.6	10%	0.099	2%	0.021	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.8	-8.9	174.4	0	0	0	0	0	113.8	I75 R79 L121 L201 A202 K203 L207	I75-A205 HydrophobicContact CG2-CB 3.73Å; R79-A205 HydrophobicContact CB-CB 4.42Å; R79-A205 HydrophobicContact CG-CB 4.39Å; L121-A205 HydrophobicContact CD1-CB 4.39Å; L201-A205 WeakPolarHBondContact O-CB 3.44Å; L201-A205 PolarHBondContact O-N 3.01Å; A202-A205 PolarHBondContact O-N 3.21Å; K203-A205 VanDerWaalsContact C-N 3.25Å; K203-A205 PolarHBondContact O-N 2.81Å; A205-L207 HydrophobicContact CB-CD1 3.8Å; A205-L207 HydrophobicContact CB-CG 3.8Å
206	G	98.1	Very high	98.4	Very high	6 Å²	6	3.8 Å²	3.8	6%	0.062	2%	0.022	C	C	.	.	T	Hydrogen-bonded Turn	trans	72.8	27.5	-177.7	0	0	0	0	0	113.7	A202 K203 E204	A202-G206 PolarHBondContact O-N 2.85Å; K203-G206 PolarHBondContact O-N 2.94Å; E204-G206 PolarHBondContact O-N 2.85Å
207	L	98.5	Very high	98.2	Very high	8 Å²	8	4.5 Å²	4.5	4%	0.042	3%	0.026	C	C	.	.			trans	-97.5	144.3	-176	-57.9	175	0	0	0	111.7	I75 R79 C83 L86 A202 A205 Y209	I75-L207 HydrophobicContact CG2-CD1 4.32Å; R79-L207 HydrophobicContact CB-CD1 4.3Å; C83-L207 WeakPolarHBondContact O-CD2 3.22Å; L86-L207 HydrophobicContact CD1-CD1 3.65Å; L86-L207 HydrophobicContact CD2-CD1 4.37Å; L86-L207 HydrophobicContact CG-CB 4.42Å; L86-L207 HydrophobicContact CG-CD1 3.89Å; A202-L207 WeakPolarHBondContact O-CB 3.28Å; A202-L207 PolarHBondContact O-N 2.83Å; A205-L207 HydrophobicContact CB-CD1 3.8Å; A205-L207 HydrophobicContact CB-CG 3.8Å; L207-Y209 PolarHBondContact O-N 2.84Å; L207-Y209 VanDerWaalsContact O-N 3.16Å
208	C	98.7	Very high	98.1	Very high	1 Å²	1	5.4 Å²	5.4	1%	0.007	3%	0.03	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.3	102	168.3	-72.2	0	0	0	0	109.6	T84 H85 L86 C142 L267	T84-C208 PolarHBondContact O-N 3.07Å; H85-C208 CarbonylContact C-O 3.57Å; H85-C208 VanDerWaalsContact CA-O 3.25Å; H85-C208 WeakPolarHBondContact CA-O 3.25Å; H85-C208 HydrophobicContact CB-CB 4.33Å; H85-C208 WeakPolarHBondContact CD2-CB 3.45Å; L86-C208 PolarHBondContact N-O 3.07Å; C142-C208 HydrophobicContact CB-CB 3.97Å; C142-C208 VanDerWaalsContact SG-SG 3.68Å; C208-L267 HydrophobicContact CB-CD1 4.29Å; C208-L267 WeakPolarHBondContact SG-CD1 3.27Å
209	Y	98.9	Very high	98	Very high	5 Å²	5	5.6 Å²	5.6	2%	0.02	3%	0.031	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	131.8	-178.7	-178.6	-87.6	0	0	0	112.6	L86 V88 F141 C142 E198 V199 A202 L207	L86-Y209 HydrophobicContact CB-CD2 3.77Å; L86-Y209 HydrophobicContact CD1-CD2 4.1Å; L86-Y209 WeakPolarHBondContact O-CA 3.4Å; V88-Y209 HydrophobicContact CB-CE2 4.46Å; V88-Y209 HydrophobicContact CG1-CD2 4.3Å; V88-Y209 HydrophobicContact CG1-CE2 3.58Å; V88-Y209 HydrophobicContact CG2-CE1 4.4Å; V88-Y209 HydrophobicContact CG2-CE2 4.01Å; V88-Y209 WeakPolarHBondContact CG2-OH 3.42Å; F141-Y209 CarbonylContact C-O 3.53Å; F141-Y209 WeakPolarHBondContact CA-O 3.48Å; F141-Y209 AromaticContact CD1-CD1 3.74Å; F141-Y209 HydrophobicContact CD1-CD1 3.74Å; F141-Y209 AromaticContact CD1-CE1 3.83Å; F141-Y209 HydrophobicContact CD1-CE1 3.83Å; F141-Y209 HydrophobicContact CE1-CD1 4.07Å; F141-Y209 AromaticContact CE1-CE1 3.67Å; F141-Y209 HydrophobicContact CE1-CE1 3.67Å; C142-Y209 PolarHBondContact N-O 2.84Å; E198-Y209 HydrophobicContact CG-CE2 3.89Å; E198-Y209 PolarHBondContact OE1-OH 3.3Å; V199-Y209 HydrophobicContact CB-CD1 3.92Å; V199-Y209 HydrophobicContact CB-CE1 3.57Å; V199-Y209 HydrophobicContact CG2-CD1 3.57Å; V199-Y209 HydrophobicContact CG2-CE1 3.69Å; V199-Y209 HydrophobicContact CG2-CG 4.42Å; A202-Y209 HydrophobicContact CB-CD2 3.56Å; A202-Y209 HydrophobicContact CB-CE2 4.41Å; A202-Y209 HydrophobicContact CB-CG 3.86Å; L207-Y209 PolarHBondContact O-N 2.84Å; L207-Y209 VanDerWaalsContact O-N 3.16Å
210	A	98.8	Very high	97.9	Very high	0 Å²	0	6.3 Å²	6.3	0%	0	4%	0.036	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	151	171.6	0	0	0	0	0	110.9	L86 V87 V88 T145 R146 L149	L86-A210 PolarHBondContact O-N 2.86Å; V87-A210 WeakPolarHBondContact CA-O 3.18Å; V88-A210 PolarHBondContact N-O 2.94Å; T145-A210 HydrophobicContact CG2-CB 3.57Å; R146-A210 HydrophobicContact CG-CB 4.18Å; L149-A210 HydrophobicContact CD1-CB 3.78Å
211	S	98.7	Very high	97.8	Very high	1 Å²	1	7.2 Å²	7.2	1%	0.007	4%	0.038	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	132.2	-176.1	-178.5	0	0	0	0	111.5
212	I	98.2	Very high	97.4	Very high	1 Å²	1	8.3 Å²	8.3	1%	0.005	4%	0.042	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98	100.6	169.4	-55.8	172	0	0	0	106.3	V87 V88 T89 T90 I104 I106 L149 A244 I247 L248	V87-I212 HydrophobicContact CG1-CD1 4.07Å; V87-I212 HydrophobicContact CG1-CG1 4.38Å; V88-I212 PolarHBondContact O-N 2.92Å; T89-I212 WeakPolarHBondContact CA-O 3.44Å; T89-I212 HydrophobicContact CG2-CB 4.46Å; T90-I212 PolarHBondContact N-O 3.12Å; T90-I212 VanDerWaalsContact N-O 3.11Å; I104-I212 HydrophobicContact CD1-CG2 4.06Å; I104-I212 HydrophobicContact CG2-CG2 3.7Å; I106-I212 HydrophobicContact CD1-CB 4.45Å; I106-I212 HydrophobicContact CD1-CG1 4.11Å; I106-I212 HydrophobicContact CD1-CG2 4.43Å; L149-I212 HydrophobicContact CD1-CG1 4.07Å; L149-I212 HydrophobicContact CD2-CD1 3.97Å; L149-I212 HydrophobicContact CD2-CG1 4.25Å; I212-A244 HydrophobicContact CG2-CB 4.37Å; I212-I247 HydrophobicContact CD1-CB 4.41Å; I212-I247 HydrophobicContact CD1-CG2 3.78Å; I212-L248 HydrophobicContact CD1-CD2 3.88Å; I212-L248 HydrophobicContact CD1-CG 4.05Å
213	A	97.9	Very high	96.6	Very high	0 Å²	0	15 Å²	15	0%	0	7%	0.074	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90	131.6	176	0	0	0	0	0	109.9	T90 I104 V105 I107 M166	T90-A213 HydrophobicContact CG2-CB 3.76Å; T90-A213 CarbonylContact O-C 3.5Å; T90-A213 WeakPolarHBondContact O-CA 3.37Å; I104-A213 CarbonylContact C-O 3.5Å; I104-A213 WeakPolarHBondContact CA-O 3.44Å; V105-A213 HydrophobicContact CB-CB 4.29Å; V105-A213 PolarHBondContact N-O 3.42Å; V105-A213 WeakPolarHBondContact O-CB 3.44Å; V105-A213 PolarHBondContact O-N 2.7Å; I107-A213 HydrophobicContact CG2-CB 4.07Å; M166-A213 HydrophobicContact CE-CB 3.73Å
214	M	97.2	Very high	95.8	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	117.2	177	-177.4	179.8	-64.7	0	0	109	L17 T90 C92 I104 T216 M237 N240 A244	L17-M214 HydrophobicContact CD1-CE 4.23Å; T90-M214 PolarHBondContact O-N 2.99Å; C92-M214 PolarHBondContact N-O 3.42Å; C92-M214 VanDerWaalsContact SG-C 3.56Å; C92-M214 PolarHBondContact SG-O 2.85Å; C92-M214 VanDerWaalsContact SG-O 3.38Å; I104-M214 HydrophobicContact CD1-CB 4.05Å; I104-M214 HydrophobicContact CD1-CE 3.86Å; I104-M214 HydrophobicContact CD1-CG 4.19Å; M214-T216 PolarHBondContact O-N 3.21Å; M214-M237 HydrophobicContact CG-SD 4.32Å; M214-M237 HydrophobicContact SD-SD 3.59Å; M214-N240 HydrophobicContact CE-CB 4.08Å; M214-N240 WeakPolarHBondContact CE-O 3.48Å; M214-N240 HydrophobicContact SD-CB 3.54Å; M214-N240 VanDerWaalsContact SD-CB 3.54Å; M214-A244 HydrophobicContact CE-CB 3.79Å
215	A	96.8	Very high	94.9	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.9	128.8	175.1	0	0	0	0	0	109.4	C92 I99 Q100 P101 G102 D103	C92-A215 CarbonylContact O-C 3.58Å; C92-A215 VanDerWaalsContact O-CA 3.26Å; C92-A215 WeakPolarHBondContact O-CA 3.25Å; I99-A215 HydrophobicContact CG2-CB 3.87Å; Q100-A215 WeakPolarHBondContact O-CB 3.47Å; P101-A215 CarbonylContact C-O 3.32Å; P101-A215 WeakPolarHBondContact CA-O 3.45Å; G102-A215 PolarHBondContact N-O 2.84Å; D103-A215 PolarHBondContact O-N 3.3Å
216	T	95.1	Very high	93.9	Very high	4 Å²	4	34.2 Å²	34.2	3%	0.025	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	-20.6	-178.3	46	0	0	0	0	113.9	A91 C92 M214 V233 T236 M237	A91-T216 HydrophobicContact CB-CG2 3.93Å; C92-T216 PolarHBondContact O-N 3.25Å; C92-T216 PolarHBondContact O-OG1 2.87Å; M214-T216 PolarHBondContact O-N 3.21Å; T216-V233 HydrophobicContact CG2-CG1 4.2Å; T216-T236 HydrophobicContact CG2-CG2 4.4Å; T216-T236 WeakPolarHBondContact O-CB 3.44Å; T216-T236 PolarHBondContact O-OG1 3.35Å; T216-M237 HydrophobicContact CG2-CG 3.62Å; T216-M237 HydrophobicContact CG2-SD 3.45Å; T216-M237 WeakPolarHBondContact CG2-SD 3.43Å
217	D	95.4	Very high	92.8	Very high	15 Å²	15	36.5 Å²	36.5	8%	0.08	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-163.2	177.5	-171.1	54.1	87.1	0	0	0	109.2	G93 S94 D219 V228	G93-D217 WeakPolarHBondContact CA-OD1 3.07Å; S94-D217 WeakPolarHBondContact CB-O 3.29Å; S94-D217 PolarHBondContact N-O 3.44Å; D217-D219 VanDerWaalsContact OD1-CA 3.31Å; D217-D219 WeakPolarHBondContact OD1-CA 3.37Å; D217-D219 PolarHBondContact OD1-N 2.93Å; D217-V228 HydrophobicContact CB-CB 4.09Å; D217-V228 HydrophobicContact CB-CG2 3.97Å; D217-V228 WeakPolarHBondContact OD1-CG2 3.39Å; D217-V228 WeakPolarHBondContact OD2-CG2 3.5Å
218	Y	97.5	Very high	92.1	Very high	20 Å²	20	37 Å²	37	8%	0.078	18%	0.183	C	C	.	.			trans	-105	29.3	173.4	-74.9	-73	0	0	0	112.3	S94 R96 E97 I99 Q100 P101 C220 W221 K222 E225	S94-Y218 CarbonylContact O-C 3.58Å; S94-Y218 WeakPolarHBondContact O-CA 3.25Å; R96-Y218 VanDerWaalsContact O-CE1 3.32Å; R96-Y218 WeakPolarHBondContact O-CE1 3.31Å; E97-Y218 PolarHBondContact O-OH 3.43Å; I99-Y218 WeakPolarHBondContact O-CE1 3.5Å; Q100-Y218 WeakPolarHBondContact CA-OH 3.2Å; Q100-Y218 VanDerWaalsContact CG-OH 3.24Å; Q100-Y218 WeakPolarHBondContact CG-OH 3.41Å; P101-Y218 HydrophobicContact CG-CD2 4.03Å; P101-Y218 HydrophobicContact CG-CE2 3.89Å; Y218-C220 PolarHBondContact O-N 2.91Å; Y218-C220 VanDerWaalsContact O-N 3.07Å; Y218-W221 AromaticContact CD1-CZ2 3.75Å; Y218-W221 HydrophobicContact CD1-CZ2 3.75Å; Y218-W221 HydrophobicContact CE1-CZ2 4.29Å; Y218-W221 HydrophobicContact CG-CZ2 4.48Å; Y218-W221 PolarHBondContact O-NE1 3.12Å; Y218-W221 VanDerWaalsContact O-NE1 3.1Å; Y218-K222 HydrophobicContact CD1-CD 4.36Å; Y218-K222 HydrophobicContact CD2-CD 3.85Å; Y218-K222 HydrophobicContact CE2-CD 4.36Å; Y218-K222 HydrophobicContact CG-CD 3.83Å; Y218-K222 VanDerWaalsContact CZ-NZ 3.29Å; Y218-E225 WeakPolarHBondContact CD2-OE2 3.46Å
219	D	97	Very high	91.4	Very high	5 Å²	5	39.2 Å²	39.2	3%	0.027	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	trans	50.3	-113.1	-171.8	-176.3	50.7	0	0	0	111.1	L95 S180 I191 D217 V228	L95-D219 HydrophobicContact CD2-CB 4.25Å; S180-D219 WeakPolarHBondContact CB-OD2 3.48Å; S180-D219 PolarHBondContact OG-OD2 2.85Å; I191-D219 HydrophobicContact CG2-CB 4.08Å; D217-D219 VanDerWaalsContact OD1-CA 3.31Å; D217-D219 WeakPolarHBondContact OD1-CA 3.37Å; D217-D219 PolarHBondContact OD1-N 2.93Å; D219-V228 PolarHBondContact O-N 2.63Å
220	C	96.1	Very high	90.6	Very high	15 Å²	15	43.4 Å²	43.4	10%	0.101	22%	0.224	C	C	.	.	T	Hydrogen-bonded Turn	trans	-142.7	16.3	179.4	63.5	0	0	0	0	114.9	S175 S176 R177 Y218 A227	S175-C220 PolarHBondContact O-SG 3.45Å; S175-C220 VanDerWaalsContact O-SG 3.36Å; S176-C220 VanDerWaalsContact C-SG 3.51Å; R177-C220 VanDerWaalsContact CA-SG 3.57Å; R177-C220 WeakPolarHBondContact CG-O 3.28Å; R177-C220 PolarHBondContact N-SG 3.04Å; R177-C220 PolarHBondContact NE-O 3.36Å; R177-C220 VanDerWaalsContact NE-O 3.1Å; Y218-C220 PolarHBondContact O-N 2.91Å; Y218-C220 VanDerWaalsContact O-N 3.07Å; C220-A227 HydrophobicContact CB-CB 4.38Å
221	W	96.5	Very high	89.8	Confident	30 Å²	30	49.2 Å²	49.2	11%	0.114	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.3	-23.4	-178.3	64.8	-91.8	0	0	0	113.7	S94 E97 S180 L181 Y218	S94-W221 PolarHBondContact O-NE1 3.26Å; E97-W221 HydrophobicContact CB-CH2 4.28Å; E97-W221 VanDerWaalsContact OE2-CH2 3.32Å; E97-W221 WeakPolarHBondContact OE2-CH2 3.16Å; S180-W221 WeakPolarHBondContact OG-CB 3.46Å; L181-W221 HydrophobicContact CD2-CB 4.17Å; Y218-W221 AromaticContact CD1-CZ2 3.75Å; Y218-W221 HydrophobicContact CD1-CZ2 3.75Å; Y218-W221 HydrophobicContact CE1-CZ2 4.29Å; Y218-W221 HydrophobicContact CG-CZ2 4.48Å; Y218-W221 PolarHBondContact O-NE1 3.12Å; Y218-W221 VanDerWaalsContact O-NE1 3.1Å
222	K	91.1	Very high	88.9	Confident	23 Å²	23	51.2 Å²	51.2	10%	0.1	27%	0.266	C	S	.	.			trans	-76	128.5	174	-72.7	-171.3	167.9	-173.2	0	110.2	E97 Y218 E225	E97-K222 VanDerWaalsContact CD-NZ 3.34Å; E97-K222 IonicContact OE1-NZ 2.97Å; E97-K222 PolarHBondContact OE1-NZ 3.08Å; E97-K222 WeakPolarHBondContact OE2-CE 3.44Å; E97-K222 IonicContact OE2-NZ 2.73Å; E97-K222 PolarHBondContact OE2-NZ 3.45Å; Y218-K222 HydrophobicContact CD1-CD 4.36Å; Y218-K222 HydrophobicContact CD2-CD 3.85Å; Y218-K222 HydrophobicContact CE2-CD 4.36Å; Y218-K222 HydrophobicContact CG-CD 3.83Å; Y218-K222 VanDerWaalsContact CZ-NZ 3.29Å; K222-E225 HydrophobicContact CB-CB 3.99Å; K222-E225 HydrophobicContact CB-CG 4.46Å; K222-E225 HydrophobicContact CD-CB 4.11Å; K222-E225 VanDerWaalsContact CD-CD 3.43Å; K222-E225 HydrophobicContact CD-CG 3.85Å; K222-E225 VanDerWaalsContact CD-OE1 3.32Å; K222-E225 WeakPolarHBondContact CD-OE1 3.21Å; K222-E225 IonicContact NZ-OE1 3.5Å; K222-E225 PolarHBondContact NZ-OE1 3.01Å
223	E	81.7	Confident	88.2	Confident	141 Å²	141	52.1 Å²	52.1	66%	0.659	27%	0.271	S	S	*	.	S	Bend	trans	-78.5	-26.9	-179.5	-67.6	-169.8	164.8	0	0	113.5
224	H	82.3	Confident	87.5	Confident	183 Å²	183	56.8 Å²	56.8	85%	0.847	30%	0.296	S	S	*	.	S	Bend	trans	-114.3	10.9	-172.9	-57.2	-46.7	0	0	0	114.1
225	E	79.3	Confident	87	Confident	99 Å²	99	62.9 Å²	62.9	46%	0.463	32%	0.322	S	S	.	.	S	Bend	trans	-111.4	157.1	169.6	-75.7	-164.7	-149.4	0	0	110.5	Y218 K222 A227	Y218-E225 WeakPolarHBondContact CD2-OE2 3.46Å; K222-E225 HydrophobicContact CB-CB 3.99Å; K222-E225 HydrophobicContact CB-CG 4.46Å; K222-E225 HydrophobicContact CD-CB 4.11Å; K222-E225 VanDerWaalsContact CD-CD 3.43Å; K222-E225 HydrophobicContact CD-CG 3.85Å; K222-E225 VanDerWaalsContact CD-OE1 3.32Å; K222-E225 WeakPolarHBondContact CD-OE1 3.21Å; K222-E225 IonicContact NZ-OE1 3.5Å; K222-E225 PolarHBondContact NZ-OE1 3.01Å; E225-A227 PolarHBondContact O-N 3.08Å
226	E	77.3	Confident	86.5	Confident	161 Å²	161	63.9 Å²	63.9	75%	0.752	33%	0.328	S	S	*	.	P	Polyproline II helix	trans	-60.6	130	174.1	-70.1	-174.4	174.2	0	0	110.1	N232	E226-N232 PolarHBondContact OE2-ND2 3.48Å
227	A	76.4	Confident	85.9	Confident	55 Å²	55	63.9 Å²	63.9	46%	0.455	33%	0.328	S	S	.	.	P	Polyproline II helix	trans	-65.6	153.3	174.1	0	0	0	0	0	110.7	C220 E225 C229	C220-A227 HydrophobicContact CB-CB 4.38Å; E225-A227 PolarHBondContact O-N 3.08Å; A227-C229 PolarHBondContact O-N 3.3Å
228	V	83.8	Confident	85.5	Confident	18 Å²	18	72 Å²	72	11%	0.109	36%	0.363	C	S	.	.	P	Polyproline II helix	trans	-54.3	134.8	177.9	63.4	0	0	0	0	112.5	F174 D217 D219 V233	F174-V228 HydrophobicContact CB-CG1 3.85Å; F174-V228 HydrophobicContact CD1-CG1 3.66Å; F174-V228 HydrophobicContact CD1-CG2 4Å; F174-V228 HydrophobicContact CD2-CG1 4.03Å; F174-V228 HydrophobicContact CE1-CG1 4.19Å; F174-V228 HydrophobicContact CE1-CG2 3.64Å; F174-V228 HydrophobicContact CE2-CG2 4.26Å; F174-V228 HydrophobicContact CG-CG1 3.57Å; F174-V228 HydrophobicContact CG-CG2 4.46Å; F174-V228 HydrophobicContact CZ-CG2 3.79Å; D217-V228 HydrophobicContact CB-CB 4.09Å; D217-V228 HydrophobicContact CB-CG2 3.97Å; D217-V228 WeakPolarHBondContact OD1-CG2 3.39Å; D217-V228 WeakPolarHBondContact OD2-CG2 3.5Å; D219-V228 PolarHBondContact O-N 2.63Å; V228-V233 HydrophobicContact CG2-CG2 3.8Å
229	C	83.9	Confident	85	Confident	47 Å²	47	76.5 Å²	76.5	32%	0.318	38%	0.384	S	S	.	.			trans	-143.5	165.8	169.3	77.8	0	0	0	0	109.5	A227 D231 N232 V233	A227-C229 PolarHBondContact O-N 3.3Å; C229-D231 VanDerWaalsContact C-N 3.31Å; C229-D231 PolarHBondContact O-N 3.24Å; C229-N232 PolarHBondContact O-N 3.24Å; C229-N232 PolarHBondContact SG-N 3.46Å; C229-V233 WeakPolarHBondContact O-CG2 3.43Å; C229-V233 PolarHBondContact O-N 3.35Å
230	V	81.4	Confident	84.5	Confident	93 Å²	93	77 Å²	77	56%	0.564	39%	0.387	S	S	*	.	H	α-helix	trans	-58.9	-42.4	-176.8	176.6	0	0	0	0	111.8	N232 V233 L234	V230-N232 PolarHBondContact O-N 3.32Å; V230-V233 PolarHBondContact O-N 2.77Å; V230-L234 HydrophobicContact CG1-CD1 3.85Å; V230-L234 HydrophobicContact CG1-CG 4.22Å; V230-L234 WeakPolarHBondContact O-CG 3.49Å; V230-L234 PolarHBondContact O-N 2.88Å
231	D	82.8	Confident	84	Confident	122 Å²	122	77.3 Å²	77.3	65%	0.652	39%	0.39	S	S	*	.	H	α-helix	trans	-64.1	-40.2	-178.1	-65.6	-27	0	0	0	112.1	C229 L234 K235	C229-D231 VanDerWaalsContact C-N 3.31Å; C229-D231 PolarHBondContact O-N 3.24Å; D231-L234 PolarHBondContact O-N 3.16Å; D231-K235 VanDerWaalsContact O-CB 3.29Å; D231-K235 WeakPolarHBondContact O-CB 3.42Å; D231-K235 PolarHBondContact O-N 2.71Å
232	N	80	Confident	83.7	Confident	43 Å²	43	80.7 Å²	80.7	23%	0.23	41%	0.411	C	S	.	.	H	α-helix	trans	-64	-43.6	177.2	-73.1	-4.1	0	0	0	111.1	E226 C229 V230 K235 T236	E226-N232 PolarHBondContact OE2-ND2 3.48Å; C229-N232 PolarHBondContact O-N 3.24Å; C229-N232 PolarHBondContact SG-N 3.46Å; V230-N232 PolarHBondContact O-N 3.32Å; N232-K235 PolarHBondContact O-N 3.01Å; N232-T236 PolarHBondContact O-N 2.75Å; N232-T236 PolarHBondContact O-OG1 2.59Å; N232-T236 VanDerWaalsContact O-OG1 3.11Å
233	V	81.9	Confident	83.8	Confident	21 Å²	21	82.2 Å²	82.2	13%	0.127	42%	0.418	C	S	.	.	H	α-helix	trans	-61.1	-50.9	175.8	175.5	0	0	0	0	110.7	A91 T216 V228 C229 V230 K235 T236 M237	A91-V233 HydrophobicContact CB-CG1 4.45Å; T216-V233 HydrophobicContact CG2-CG1 4.2Å; V228-V233 HydrophobicContact CG2-CG2 3.8Å; C229-V233 WeakPolarHBondContact O-CG2 3.43Å; C229-V233 PolarHBondContact O-N 3.35Å; V230-V233 PolarHBondContact O-N 2.77Å; V233-K235 VanDerWaalsContact C-N 3.32Å; V233-K235 PolarHBondContact O-N 3.09Å; V233-T236 PolarHBondContact O-N 3.38Å; V233-M237 HydrophobicContact CG1-CG 4.27Å; V233-M237 WeakPolarHBondContact O-CB 3.32Å; V233-M237 WeakPolarHBondContact O-CG 3.5Å; V233-M237 PolarHBondContact O-N 2.88Å
234	L	84.1	Confident	84.3	Confident	97 Å²	97	75.5 Å²	75.5	51%	0.508	39%	0.386	S	S	.	.	H	α-helix	trans	-62.1	-39.3	-178.5	-70.6	176.6	0	0	0	112.3	V230 D231 K238	V230-L234 HydrophobicContact CG1-CD1 3.85Å; V230-L234 HydrophobicContact CG1-CG 4.22Å; V230-L234 WeakPolarHBondContact O-CG 3.49Å; V230-L234 PolarHBondContact O-N 2.88Å; D231-L234 PolarHBondContact O-N 3.16Å; L234-K238 WeakPolarHBondContact O-CB 3.38Å; L234-K238 PolarHBondContact O-N 3.35Å
235	K	86.7	Confident	84.7	Confident	129 Å²	129	68.4 Å²	68.4	56%	0.561	36%	0.357	S	S	*	.	H	α-helix	trans	-62.8	-54.4	176.4	-178.3	-175.4	173.1	-169.4	0	111.3	D231 N232 V233 M237 K238 E239	D231-K235 VanDerWaalsContact O-CB 3.29Å; D231-K235 WeakPolarHBondContact O-CB 3.42Å; D231-K235 PolarHBondContact O-N 2.71Å; N232-K235 PolarHBondContact O-N 3.01Å; V233-K235 VanDerWaalsContact C-N 3.32Å; V233-K235 PolarHBondContact O-N 3.09Å; K235-M237 VanDerWaalsContact C-N 3.27Å; K235-M237 PolarHBondContact O-N 2.72Å; K235-K238 PolarHBondContact O-N 3.1Å; K235-K238 VanDerWaalsContact O-N 3.17Å; K235-E239 WeakPolarHBondContact CE-OE1 3.03Å; K235-E239 WeakPolarHBondContact O-CG 3.38Å; K235-E239 PolarHBondContact O-N 3.29Å; K235-E239 VanDerWaalsContact O-N 3.07Å
236	T	85.6	Confident	85.4	Confident	20 Å²	20	66 Å²	66	12%	0.123	35%	0.351	C	S	.	.	H	α-helix	trans	-60.4	-40.1	180	-55.6	0	0	0	0	111	P101 T216 N232 V233 E239 N240	P101-T236 HydrophobicContact CB-CG2 4.13Å; T216-T236 HydrophobicContact CG2-CG2 4.4Å; T216-T236 WeakPolarHBondContact O-CB 3.44Å; T216-T236 PolarHBondContact O-OG1 3.35Å; N232-T236 PolarHBondContact O-N 2.75Å; N232-T236 PolarHBondContact O-OG1 2.59Å; N232-T236 VanDerWaalsContact O-OG1 3.11Å; V233-T236 PolarHBondContact O-N 3.38Å; T236-E239 PolarHBondContact O-N 3Å; T236-N240 WeakPolarHBondContact CG2-ND2 3.19Å; T236-N240 WeakPolarHBondContact O-CB 3.43Å; T236-N240 PolarHBondContact O-N 3.27Å; T236-N240 PolarHBondContact O-ND2 3.23Å
237	M	84.2	Confident	86.4	Confident	5 Å²	5	58.4 Å²	58.4	3%	0.025	32%	0.316	C	S	.	.	H	α-helix	trans	-61.3	-46.9	175.9	-73.1	-61.5	-79.7	0	0	111.9	S15 L17 A91 M214 T216 V233 K235 E239 N240 A241	S15-M237 WeakPolarHBondContact O-CE 3.06Å; L17-M237 HydrophobicContact CD1-CE 3.55Å; L17-M237 HydrophobicContact CG-CE 3.58Å; A91-M237 HydrophobicContact CB-CE 4.09Å; A91-M237 HydrophobicContact CB-CG 4.42Å; A91-M237 HydrophobicContact CB-SD 3.87Å; M214-M237 HydrophobicContact CG-SD 4.32Å; M214-M237 HydrophobicContact SD-SD 3.59Å; T216-M237 HydrophobicContact CG2-CG 3.62Å; T216-M237 HydrophobicContact CG2-SD 3.45Å; T216-M237 WeakPolarHBondContact CG2-SD 3.43Å; V233-M237 HydrophobicContact CG1-CG 4.27Å; V233-M237 WeakPolarHBondContact O-CB 3.32Å; V233-M237 WeakPolarHBondContact O-CG 3.5Å; V233-M237 PolarHBondContact O-N 2.88Å; K235-M237 VanDerWaalsContact C-N 3.27Å; K235-M237 PolarHBondContact O-N 2.72Å; M237-E239 VanDerWaalsContact C-N 3.26Å; M237-E239 PolarHBondContact O-N 2.81Å; M237-N240 PolarHBondContact O-N 3.05Å; M237-N240 VanDerWaalsContact O-N 3.16Å; M237-A241 WeakPolarHBondContact O-CA 3.35Å; M237-A241 WeakPolarHBondContact O-CB 3.38Å; M237-A241 PolarHBondContact O-N 3.28Å
238	K	85.6	Confident	87.3	Confident	185 Å²	185	56 Å²	56	80%	0.804	30%	0.295	S	S	*	.	H	α-helix	trans	-58.8	-39.1	177.5	-175.9	178.5	178.5	-179.8	0	112.4	L234 K235 N240	L234-K238 WeakPolarHBondContact O-CB 3.38Å; L234-K238 PolarHBondContact O-N 3.35Å; K235-K238 PolarHBondContact O-N 3.1Å; K235-K238 VanDerWaalsContact O-N 3.17Å; K238-N240 VanDerWaalsContact C-N 3.34Å
239	E	87.1	Confident	87.8	Confident	114 Å²	114	58.4 Å²	58.4	53%	0.533	31%	0.307	S	S	.	.	H	α-helix	trans	-73.3	-25.5	-179.6	-70.1	172.3	-174.8	0	0	113.2	K235 T236 M237	K235-E239 WeakPolarHBondContact CE-OE1 3.03Å; K235-E239 WeakPolarHBondContact O-CG 3.38Å; K235-E239 PolarHBondContact O-N 3.29Å; K235-E239 VanDerWaalsContact O-N 3.07Å; T236-E239 PolarHBondContact O-N 3Å; M237-E239 VanDerWaalsContact C-N 3.26Å; M237-E239 PolarHBondContact O-N 2.81Å
240	N	87.5	Confident	88.5	Confident	17 Å²	17	58 Å²	58	9%	0.091	30%	0.304	C	S	.	.	H	α-helix	trans	-119.9	-5.6	-169.2	-65.8	-78.8	0	0	0	114.6	M214 T236 M237 K238 N242 K243	M214-N240 HydrophobicContact CE-CB 4.08Å; M214-N240 WeakPolarHBondContact CE-O 3.48Å; M214-N240 HydrophobicContact SD-CB 3.54Å; M214-N240 VanDerWaalsContact SD-CB 3.54Å; T236-N240 WeakPolarHBondContact CG2-ND2 3.19Å; T236-N240 WeakPolarHBondContact O-CB 3.43Å; T236-N240 PolarHBondContact O-N 3.27Å; T236-N240 PolarHBondContact O-ND2 3.23Å; M237-N240 PolarHBondContact O-N 3.05Å; M237-N240 VanDerWaalsContact O-N 3.16Å; K238-N240 VanDerWaalsContact C-N 3.34Å; N240-N242 PolarHBondContact O-N 2.97Å; N240-N242 VanDerWaalsContact O-N 3.17Å; N240-N242 PolarHBondContact O-OD1 3.32Å; N240-K243 HydrophobicContact CB-CD 4.25Å; N240-K243 VanDerWaalsContact O-CB 3.31Å; N240-K243 WeakPolarHBondContact O-CB 3.49Å; N240-K243 PolarHBondContact O-N 3.5Å; N240-K243 WeakPolarHBondContact OD1-CE 3.48Å; N240-K243 PolarHBondContact OD1-NZ 3.18Å
241	A	85.7	Confident	89.3	Confident	20 Å²	20	53.7 Å²	53.7	17%	0.165	28%	0.277	C	S	.	.	H	α-helix	trans	-55.8	-37.1	-176.4	0	0	0	0	0	112.9	L17 M237 K243 A244 S245	L17-A241 HydrophobicContact CD2-CB 3.69Å; L17-A241 WeakPolarHBondContact CD2-O 3.4Å; M237-A241 WeakPolarHBondContact O-CA 3.35Å; M237-A241 WeakPolarHBondContact O-CB 3.38Å; M237-A241 PolarHBondContact O-N 3.28Å; A241-K243 PolarHBondContact O-N 3.46Å; A241-A244 PolarHBondContact O-N 3.37Å; A241-S245 PolarHBondContact O-N 3.14Å; A241-S245 VanDerWaalsContact O-N 3.09Å; A241-S245 PolarHBondContact O-OG 3.21Å
242	N	89.3	Confident	89.9	Confident	101 Å²	101	47.9 Å²	47.9	54%	0.54	25%	0.246	S	C	.	.	H	α-helix	trans	-56.5	-31.7	176.8	65.8	-19	0	0	0	113.5	N240 S246	N240-N242 PolarHBondContact O-N 2.97Å; N240-N242 VanDerWaalsContact O-N 3.17Å; N240-N242 PolarHBondContact O-OD1 3.32Å; N242-S246 VanDerWaalsContact O-CB 3.25Å; N242-S246 WeakPolarHBondContact O-CB 3.38Å; N242-S246 PolarHBondContact O-N 3.02Å; N242-S246 PolarHBondContact O-OG 2.54Å
243	K	92.7	Very high	90.7	Very high	56 Å²	56	46.4 Å²	46.4	24%	0.243	24%	0.239	C	C	.	.	H	α-helix	trans	-63.7	-51.1	177.9	-65.1	171.6	174.1	171.8	0	110.6	G102 V158 N240 A241 S246 I247	G102-K243 PolarHBondContact O-NZ 3.5Å; V158-K243 HydrophobicContact CG1-CB 4.25Å; V158-K243 HydrophobicContact CG1-CD 4.31Å; V158-K243 HydrophobicContact CG1-CG 4.44Å; V158-K243 HydrophobicContact CG2-CB 4.4Å; V158-K243 HydrophobicContact CG2-CG 4.45Å; N240-K243 HydrophobicContact CB-CD 4.25Å; N240-K243 VanDerWaalsContact O-CB 3.31Å; N240-K243 WeakPolarHBondContact O-CB 3.49Å; N240-K243 PolarHBondContact O-N 3.5Å; N240-K243 WeakPolarHBondContact OD1-CE 3.48Å; N240-K243 PolarHBondContact OD1-NZ 3.18Å; A241-K243 PolarHBondContact O-N 3.46Å; K243-S246 PolarHBondContact O-N 3.46Å; K243-I247 WeakPolarHBondContact O-CG1 3.42Å; K243-I247 PolarHBondContact O-N 3.38Å
244	A	92	Very high	91.5	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-65.2	-43.3	179.5	0	0	0	0	0	111.4	L17 T89 I212 M214 A241 S246 I247 L248	L17-A244 HydrophobicContact CD1-CB 3.87Å; L17-A244 HydrophobicContact CD2-CB 3.8Å; T89-A244 HydrophobicContact CG2-CB 4.33Å; I212-A244 HydrophobicContact CG2-CB 4.37Å; M214-A244 HydrophobicContact CE-CB 3.79Å; A241-A244 PolarHBondContact O-N 3.37Å; A244-S246 VanDerWaalsContact C-N 3.34Å; A244-S246 PolarHBondContact O-N 3.1Å; A244-I247 PolarHBondContact O-N 2.92Å; A244-L248 WeakPolarHBondContact O-CG 3.49Å; A244-L248 PolarHBondContact O-N 3.46Å
245	S	91.9	Very high	92.1	Very high	33 Å²	33	44.2 Å²	44.2	23%	0.231	23%	0.225	C	C	.	.	H	α-helix	trans	-60.9	-41.5	175.4	-58.4	0	0	0	0	112.1	A241 I247 L248 L249	A241-S245 PolarHBondContact O-N 3.14Å; A241-S245 VanDerWaalsContact O-N 3.09Å; A241-S245 PolarHBondContact O-OG 3.21Å; S245-I247 PolarHBondContact O-N 3.49Å; S245-L248 PolarHBondContact O-N 3.14Å; S245-L249 WeakPolarHBondContact O-CB 3.33Å; S245-L249 VanDerWaalsContact O-CG 3.26Å; S245-L249 WeakPolarHBondContact O-CG 3.05Å; S245-L249 PolarHBondContact O-N 3.43Å
246	S	94.5	Very high	92.6	Very high	50 Å²	50	40.1 Å²	40.1	35%	0.35	21%	0.212	S	C	.	.	H	α-helix	trans	-65	-39.5	177.4	-59.8	0	0	0	0	112.2	N242 K243 A244 T250	N242-S246 VanDerWaalsContact O-CB 3.25Å; N242-S246 WeakPolarHBondContact O-CB 3.38Å; N242-S246 PolarHBondContact O-N 3.02Å; N242-S246 PolarHBondContact O-OG 2.54Å; K243-S246 PolarHBondContact O-N 3.46Å; A244-S246 VanDerWaalsContact C-N 3.34Å; A244-S246 PolarHBondContact O-N 3.1Å; S246-T250 VanDerWaalsContact O-CB 3.32Å; S246-T250 WeakPolarHBondContact O-CB 3.25Å; S246-T250 PolarHBondContact O-N 3.28Å; S246-T250 VanDerWaalsContact O-N 3.13Å; S246-T250 PolarHBondContact O-OG1 2.67Å
247	I	96.5	Very high	93	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-61.8	-49	173.7	-68.9	165.8	0	0	0	109.9	I104 L149 V152 A153 L156 V158 I212 K243 A244 S245 T250 A251	I104-I247 HydrophobicContact CG1-CD1 4.1Å; I104-I247 HydrophobicContact CG2-CD1 4.33Å; L149-I247 HydrophobicContact CD2-CG2 3.83Å; V152-I247 HydrophobicContact CG1-CB 4.37Å; V152-I247 HydrophobicContact CG1-CG1 4.47Å; V152-I247 HydrophobicContact CG1-CG2 4.12Å; A153-I247 HydrophobicContact CB-CD1 3.87Å; A153-I247 HydrophobicContact CB-CG1 4.26Å; L156-I247 HydrophobicContact CD1-CG1 4Å; V158-I247 HydrophobicContact CG1-CD1 4.22Å; I212-I247 HydrophobicContact CD1-CB 4.41Å; I212-I247 HydrophobicContact CD1-CG2 3.78Å; K243-I247 WeakPolarHBondContact O-CG1 3.42Å; K243-I247 PolarHBondContact O-N 3.38Å; A244-I247 PolarHBondContact O-N 2.92Å; S245-I247 PolarHBondContact O-N 3.49Å; I247-T250 PolarHBondContact O-N 2.83Å; I247-A251 WeakPolarHBondContact O-CB 3.37Å; I247-A251 PolarHBondContact O-N 2.91Å
248	L	95.4	Very high	93.6	Very high	4 Å²	4	49.8 Å²	49.8	2%	0.021	26%	0.257	C	S	.	.	H	α-helix	trans	-58.2	-52.1	178.6	-73	170.8	0	0	0	112	I11 I22 V87 T89 I212 A244 S245 T250 A251 I252	I11-L248 HydrophobicContact CG2-CD1 4.25Å; I22-L248 HydrophobicContact CD1-CB 4.08Å; I22-L248 HydrophobicContact CD1-CD1 4.07Å; V87-L248 HydrophobicContact CB-CD2 4.1Å; V87-L248 HydrophobicContact CG1-CD2 3.5Å; T89-L248 HydrophobicContact CG2-CD1 4Å; I212-L248 HydrophobicContact CD1-CD2 3.88Å; I212-L248 HydrophobicContact CD1-CG 4.05Å; A244-L248 WeakPolarHBondContact O-CG 3.49Å; A244-L248 PolarHBondContact O-N 3.46Å; S245-L248 PolarHBondContact O-N 3.14Å; L248-T250 PolarHBondContact O-N 2.81Å; L248-A251 PolarHBondContact O-N 3.2Å; L248-I252 HydrophobicContact CB-CD1 4.4Å; L248-I252 HydrophobicContact CD2-CD1 4.42Å; L248-I252 WeakPolarHBondContact O-CB 3.34Å; L248-I252 VanDerWaalsContact O-CG1 3.31Å; L248-I252 WeakPolarHBondContact O-CG1 3.22Å; L248-I252 PolarHBondContact O-N 3.36Å
249	L	95.6	Very high	94.1	Very high	69 Å²	69	45.5 Å²	45.5	36%	0.361	24%	0.242	S	C	.	.	H	α-helix	trans	-60	-27.8	-179	-72.9	172.4	0	0	0	113.1	I22 I47 S245 P253	I22-L249 HydrophobicContact CD1-CD2 4.29Å; I22-L249 HydrophobicContact CD1-CG 4.24Å; I22-L249 HydrophobicContact CG1-CD2 3.58Å; I22-L249 HydrophobicContact CG1-CG 3.95Å; I47-L249 HydrophobicContact CD1-CD2 4.22Å; I47-L249 HydrophobicContact CG1-CD2 4.17Å; I47-L249 HydrophobicContact CG2-CD2 3.86Å; S245-L249 WeakPolarHBondContact O-CB 3.33Å; S245-L249 VanDerWaalsContact O-CG 3.26Å; S245-L249 WeakPolarHBondContact O-CG 3.05Å; S245-L249 PolarHBondContact O-N 3.43Å; L249-P253 VanDerWaalsContact O-CD 3.28Å; L249-P253 WeakPolarHBondContact O-CD 3.31Å; L249-P253 WeakPolarHBondContact O-CG 3.48Å
250	T	97.3	Very high	94.5	Very high	40 Å²	40	40.2 Å²	40.2	25%	0.245	22%	0.218	C	C	.	.	H	α-helix	trans	-91.5	-40.1	180	-53.7	0	0	0	0	112.1	V152 S246 I247 L248	V152-T250 HydrophobicContact CG1-CG2 3.78Å; V152-T250 HydrophobicContact CG2-CG2 4.16Å; S246-T250 VanDerWaalsContact O-CB 3.32Å; S246-T250 WeakPolarHBondContact O-CB 3.25Å; S246-T250 PolarHBondContact O-N 3.28Å; S246-T250 VanDerWaalsContact O-N 3.13Å; S246-T250 PolarHBondContact O-OG1 2.67Å; I247-T250 PolarHBondContact O-N 2.83Å; L248-T250 PolarHBondContact O-N 2.81Å
251	A	97.9	Very high	94.9	Very high	1 Å²	1	42 Å²	42	1%	0.008	23%	0.23	C	C	.	.	H	α-helix	trans	-75	-39.7	-176.5	0	0	0	0	0	113.3	V148 L149 V152 I247 L248 Q254 I255	V148-A251 HydrophobicContact CG1-CB 4.16Å; L149-A251 HydrophobicContact CD2-CB 3.77Å; V152-A251 HydrophobicContact CB-CB 4.36Å; V152-A251 HydrophobicContact CG1-CB 4.33Å; V152-A251 HydrophobicContact CG2-CB 3.99Å; I247-A251 WeakPolarHBondContact O-CB 3.37Å; I247-A251 PolarHBondContact O-N 2.91Å; L248-A251 PolarHBondContact O-N 3.2Å; A251-Q254 WeakPolarHBondContact O-CB 3.46Å; A251-Q254 PolarHBondContact O-N 2.8Å; A251-I255 HydrophobicContact CB-CD1 4.48Å; A251-I255 WeakPolarHBondContact O-CG1 3.31Å; A251-I255 PolarHBondContact O-N 3.32Å
252	I	97.3	Very high	95.4	Very high	1 Å²	1	46.3 Å²	46.3	1%	0.005	25%	0.246	C	C	.	.	H	α-helix	trans	-56.9	-47.3	-176.5	-76.4	172.5	0	0	0	112.6	I9 I11 I47 V50 L248 Q254 I255 S256	I9-I252 HydrophobicContact CD1-CB 4.21Å; I9-I252 HydrophobicContact CD1-CG1 3.97Å; I9-I252 HydrophobicContact CD1-CG2 3.99Å; I9-I252 HydrophobicContact CG2-CD1 4.4Å; I9-I252 HydrophobicContact CG2-CG1 4.35Å; I11-I252 HydrophobicContact CD1-CD1 3.62Å; I11-I252 HydrophobicContact CG1-CD1 4.12Å; I47-I252 HydrophobicContact CB-CG2 3.97Å; I47-I252 HydrophobicContact CD1-CD1 3.47Å; I47-I252 VanDerWaalsContact CD1-CD1 3.47Å; I47-I252 HydrophobicContact CD1-CG2 4.49Å; I47-I252 HydrophobicContact CG2-CB 4.4Å; I47-I252 HydrophobicContact CG2-CG2 4.11Å; V50-I252 HydrophobicContact CB-CG2 3.78Å; V50-I252 HydrophobicContact CG1-CG2 3.86Å; V50-I252 HydrophobicContact CG2-CG2 4.08Å; L248-I252 HydrophobicContact CB-CD1 4.4Å; L248-I252 HydrophobicContact CD2-CD1 4.42Å; L248-I252 WeakPolarHBondContact O-CB 3.34Å; L248-I252 VanDerWaalsContact O-CG1 3.31Å; L248-I252 WeakPolarHBondContact O-CG1 3.22Å; L248-I252 PolarHBondContact O-N 3.36Å; I252-Q254 VanDerWaalsContact C-N 3.33Å; I252-Q254 PolarHBondContact O-N 3.5Å; I252-I255 PolarHBondContact O-N 3.38Å; I252-S256 PolarHBondContact O-N 2.83Å
253	P	96.7	Very high	95.7	Very high	12 Å²	12	43 Å²	43	8%	0.078	23%	0.229	C	C	.	.	H	α-helix	trans	-58.6	-40.5	172.2	-26.5	35.7	0	0	0	113.6	I47 K48 L249 S256 Q257	I47-P253 HydrophobicContact CG2-CG 4.35Å; K48-P253 HydrophobicContact CB-CG 4.46Å; K48-P253 HydrophobicContact CD-CB 4.12Å; K48-P253 HydrophobicContact CD-CG 3.57Å; K48-P253 HydrophobicContact CG-CG 4.08Å; L249-P253 VanDerWaalsContact O-CD 3.28Å; L249-P253 WeakPolarHBondContact O-CD 3.31Å; L249-P253 WeakPolarHBondContact O-CG 3.48Å; P253-S256 PolarHBondContact O-N 3.29Å; P253-S256 PolarHBondContact O-OG 2.74Å; P253-Q257 WeakPolarHBondContact O-CG 3.48Å; P253-Q257 PolarHBondContact O-N 3.03Å
254	Q	97.6	Very high	95.8	Very high	72 Å²	72	40.7 Å²	40.7	34%	0.336	22%	0.22	S	C	.	.	H	α-helix	trans	-67.3	-44.7	179.7	-65.4	-174.5	21.1	0	0	111.6	V148 A251 I252 S256 Q257 M258	V148-Q254 HydrophobicContact CG1-CB 3.99Å; A251-Q254 WeakPolarHBondContact O-CB 3.46Å; A251-Q254 PolarHBondContact O-N 2.8Å; I252-Q254 VanDerWaalsContact C-N 3.33Å; I252-Q254 PolarHBondContact O-N 3.5Å; Q254-S256 VanDerWaalsContact C-N 3.27Å; Q254-S256 PolarHBondContact O-N 2.97Å; Q254-Q257 PolarHBondContact O-N 2.91Å; Q254-Q257 VanDerWaalsContact O-N 3.11Å; Q254-M258 WeakPolarHBondContact O-CG 3.38Å
255	I	97.5	Very high	96	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-53.5	-48.6	173.6	-68.4	166.4	0	0	0	109.2	V7 I9 V87 T145 V148 A251 I252 Q257 M258 W260	V7-I255 HydrophobicContact CG1-CG2 4.23Å; I9-I255 HydrophobicContact CD1-CB 4.04Å; I9-I255 HydrophobicContact CD1-CD1 4.28Å; I9-I255 HydrophobicContact CD1-CG2 3.71Å; V87-I255 HydrophobicContact CG2-CD1 4.21Å; T145-I255 HydrophobicContact CG2-CD1 3.93Å; V148-I255 HydrophobicContact CB-CG1 4.32Å; V148-I255 HydrophobicContact CG1-CG1 3.99Å; V148-I255 HydrophobicContact CG2-CG1 4.46Å; A251-I255 HydrophobicContact CB-CD1 4.48Å; A251-I255 WeakPolarHBondContact O-CG1 3.31Å; A251-I255 PolarHBondContact O-N 3.32Å; I252-I255 PolarHBondContact O-N 3.38Å; I255-Q257 PolarHBondContact O-N 3.1Å; I255-Q257 VanDerWaalsContact O-N 3.1Å; I255-M258 PolarHBondContact O-N 2.6Å; I255-M258 VanDerWaalsContact O-N 3.15Å; I255-W260 HydrophobicContact CB-CZ2 4.36Å; I255-W260 HydrophobicContact CG1-CZ2 4.49Å; I255-W260 HydrophobicContact CG2-CZ2 3.69Å; I255-W260 PolarHBondContact O-NE1 3.24Å
256	S	95.8	Very high	96.3	Very high	42 Å²	42	48.5 Å²	48.5	29%	0.294	25%	0.254	S	S	.	.	H	α-helix	trans	-61.8	-21.7	-177.4	77.7	0	0	0	0	115.2	V50 I252 P253 Q254	V50-S256 VanDerWaalsContact CG2-CB 3.42Å; V50-S256 VanDerWaalsContact CG2-OG 3.22Å; V50-S256 WeakPolarHBondContact CG2-OG 3.28Å; I252-S256 PolarHBondContact O-N 2.83Å; P253-S256 PolarHBondContact O-N 3.29Å; P253-S256 PolarHBondContact O-OG 2.74Å; Q254-S256 VanDerWaalsContact C-N 3.27Å; Q254-S256 PolarHBondContact O-N 2.97Å
257	Q	95.2	Very high	96.4	Very high	163 Å²	163	47 Å²	47	76%	0.762	24%	0.242	S	C	*	.	H	α-helix	trans	-90.5	-10.6	-177.6	-69.6	175.2	2.2	0	0	113.1	P253 Q254 I255	P253-Q257 WeakPolarHBondContact O-CG 3.48Å; P253-Q257 PolarHBondContact O-N 3.03Å; Q254-Q257 PolarHBondContact O-N 2.91Å; Q254-Q257 VanDerWaalsContact O-N 3.11Å; I255-Q257 PolarHBondContact O-N 3.1Å; I255-Q257 VanDerWaalsContact O-N 3.1Å
258	M	96.1	Very high	96.4	Very high	65 Å²	65	52.4 Å²	52.4	32%	0.32	27%	0.265	S	S	.	.	S	Bend	trans	-85.7	155.4	178.9	-62.7	171.5	79.4	0	0	111.7	V148 Q254 I255 W260	V148-M258 HydrophobicContact CG2-CE 4.07Å; V148-M258 HydrophobicContact CG2-SD 3.41Å; V148-M258 WeakPolarHBondContact CG2-SD 3.45Å; Q254-M258 WeakPolarHBondContact O-CG 3.38Å; I255-M258 PolarHBondContact O-N 2.6Å; I255-M258 VanDerWaalsContact O-N 3.15Å; M258-W260 HydrophobicContact CB-CZ2 4.32Å; M258-W260 HydrophobicContact SD-CZ2 3.96Å
259	D	95.8	Very high	96.5	Very high	95 Å²	95	55.9 Å²	55.9	51%	0.508	28%	0.284	S	S	.	.			trans	-80.2	120.2	169.2	-177.8	18.4	0	0	0	111.3	K144 T261	K144-D259 PolarHBondContact NZ-O 2.91Å; D259-T261 WeakPolarHBondContact OD1-CB 3.45Å; D259-T261 PolarHBondContact OD1-N 2.76Å; D259-T261 PolarHBondContact OD1-OG1 3Å
260	W	97	Very high	96.6	Very high	4 Å²	4	55.7 Å²	55.7	2%	0.015	28%	0.282	C	S	.	.			trans	-109.8	3.3	179.6	-65.4	97.8	0	0	0	113.6	V7 H85 K144 I255 M258 Q262 T263 T264	V7-W260 HydrophobicContact CG2-CG 4.33Å; H85-W260 AromaticContact CE1-CD1 3.99Å; H85-W260 AromaticContact CE1-CD2 3.51Å; H85-W260 AromaticContact CE1-CE2 3.83Å; H85-W260 AromaticContact CE1-CE3 3.88Å; H85-W260 AromaticContact CE1-CG 3.65Å; H85-W260 AromaticContact NE2-CD2 3.16Å; H85-W260 AromaticContact NE2-CE2 3.4Å; H85-W260 AromaticContact NE2-CE3 3.16Å; H85-W260 AromaticContact NE2-CG 3.83Å; H85-W260 AromaticContact NE2-CH2 3.63Å; H85-W260 AromaticContact NE2-CZ2 3.67Å; H85-W260 AromaticContact NE2-CZ3 3.37Å; H85-W260 WeakPolarHBondContact NE2-CZ3 3.13Å; K144-W260 HydrophobicContact CB-CH2 3.59Å; K144-W260 HydrophobicContact CB-CZ3 3.55Å; K144-W260 HydrophobicContact CD-CZ3 4.22Å; I255-W260 HydrophobicContact CB-CZ2 4.36Å; I255-W260 HydrophobicContact CG1-CZ2 4.49Å; I255-W260 HydrophobicContact CG2-CZ2 3.69Å; I255-W260 PolarHBondContact O-NE1 3.24Å; M258-W260 HydrophobicContact CB-CZ2 4.32Å; M258-W260 HydrophobicContact SD-CZ2 3.96Å; W260-Q262 PolarHBondContact O-N 3.08Å; W260-T263 HydrophobicContact CE3-CG2 4.05Å; W260-T263 HydrophobicContact CZ3-CG2 4.23Å; W260-T263 PolarHBondContact O-N 2.91Å; W260-T264 HydrophobicContact CB-CG2 4.09Å; W260-T264 WeakPolarHBondContact O-CB 3.49Å; W260-T264 WeakPolarHBondContact O-CG2 3.09Å; W260-T264 PolarHBondContact O-N 3.07Å; W260-T264 PolarHBondContact O-OG1 3.11Å
261	T	94.6	Very high	96.6	Very high	55 Å²	55	54.2 Å²	54.2	34%	0.337	27%	0.274	S	S	.	.	H	α-helix	trans	-57.8	-49.3	-172.2	-54.6	0	0	0	0	111.3	D259 T264 K265	D259-T261 WeakPolarHBondContact OD1-CB 3.45Å; D259-T261 PolarHBondContact OD1-N 2.76Å; D259-T261 PolarHBondContact OD1-OG1 3Å; T261-T264 PolarHBondContact O-OG1 3.4Å; T261-K265 WeakPolarHBondContact O-CB 3.44Å; T261-K265 PolarHBondContact O-N 3.49Å; T261-K265 VanDerWaalsContact O-N 3.12Å
262	Q	96.2	Very high	96.5	Very high	109 Å²	109	60.6 Å²	60.6	51%	0.509	30%	0.304	S	S	.	.	H	α-helix	trans	-70.9	-41.7	179.9	-169.5	61.4	49.4	0	0	112.5	W260 K265 N266	W260-Q262 PolarHBondContact O-N 3.08Å; Q262-K265 PolarHBondContact O-N 2.68Å; Q262-N266 PolarHBondContact NE2-OD1 2.92Å; Q262-N266 WeakPolarHBondContact O-CB 3.27Å; Q262-N266 PolarHBondContact O-N 3.13Å; Q262-N266 PolarHBondContact O-OD1 2.99Å
263	T	96.8	Very high	96.5	Very high	31 Å²	31	65.2 Å²	65.2	19%	0.19	34%	0.336	C	S	.	.	H	α-helix	trans	-63.2	-48.7	-178.8	-56.3	0	0	0	0	111.5	K144 W260 N266 L267	K144-T263 WeakPolarHBondContact CD-OG1 3.19Å; W260-T263 HydrophobicContact CE3-CG2 4.05Å; W260-T263 HydrophobicContact CZ3-CG2 4.23Å; W260-T263 PolarHBondContact O-N 2.91Å; T263-N266 PolarHBondContact O-N 3.09Å; T263-L267 HydrophobicContact CG2-CD1 4.39Å; T263-L267 WeakPolarHBondContact O-CG 3.26Å; T263-L267 PolarHBondContact O-N 3.39Å
264	T	95.1	Very high	96.6	Very high	8 Å²	8	65.3 Å²	65.3	5%	0.049	34%	0.337	C	S	.	.	H	α-helix	trans	-67.5	-37.1	178.9	55.9	0	0	0	0	111.8	W260 T261 L267 K268	W260-T264 HydrophobicContact CB-CG2 4.09Å; W260-T264 WeakPolarHBondContact O-CB 3.49Å; W260-T264 WeakPolarHBondContact O-CG2 3.09Å; W260-T264 PolarHBondContact O-N 3.07Å; W260-T264 PolarHBondContact O-OG1 3.11Å; T261-T264 PolarHBondContact O-OG1 3.4Å; T264-L267 PolarHBondContact O-N 3.28Å; T264-K268 WeakPolarHBondContact O-CB 3.1Å; T264-K268 VanDerWaalsContact O-CG 3.29Å; T264-K268 WeakPolarHBondContact O-CG 3.3Å; T264-K268 PolarHBondContact O-N 3.29Å
265	K	95.9	Very high	96.6	Very high	115 Å²	115	63.2 Å²	63.2	50%	0.5	33%	0.329	S	S	.	.	H	α-helix	trans	-60.7	-46.1	172.2	-177	178.2	179.1	-179.5	0	111.7	T261 Q262 K268 N269	T261-K265 WeakPolarHBondContact O-CB 3.44Å; T261-K265 PolarHBondContact O-N 3.49Å; T261-K265 VanDerWaalsContact O-N 3.12Å; Q262-K265 PolarHBondContact O-N 2.68Å; K265-K268 PolarHBondContact O-N 3.33Å; K265-N269 WeakPolarHBondContact O-CB 3.46Å; K265-N269 PolarHBondContact O-N 3.05Å; K265-N269 PolarHBondContact O-OD1 3.26Å
266	N	97.5	Very high	96.6	Very high	83 Å²	83	68.4 Å²	68.4	44%	0.444	36%	0.355	S	S	.	.	H	α-helix	trans	-63.1	-42.9	179	-72.6	-5.4	0	0	0	112	Q262 T263 N269 M270	Q262-N266 PolarHBondContact NE2-OD1 2.92Å; Q262-N266 WeakPolarHBondContact O-CB 3.27Å; Q262-N266 PolarHBondContact O-N 3.13Å; Q262-N266 PolarHBondContact O-OD1 2.99Å; T263-N266 PolarHBondContact O-N 3.09Å; N266-N269 PolarHBondContact O-N 3.13Å; N266-M270 WeakPolarHBondContact O-CB 3.38Å; N266-M270 PolarHBondContact O-N 3.11Å
267	L	96.9	Very high	96.5	Very high	19 Å²	19	71.8 Å²	71.8	10%	0.099	37%	0.369	C	S	.	.	H	α-helix	trans	-63.6	-44.8	176.4	-74.6	170.8	0	0	0	112.1	K203 C208 T263 T264 N269 M270 A271	K203-L267 HydrophobicContact CD-CD2 4.26Å; C208-L267 HydrophobicContact CB-CD1 4.29Å; C208-L267 WeakPolarHBondContact SG-CD1 3.27Å; T263-L267 HydrophobicContact CG2-CD1 4.39Å; T263-L267 WeakPolarHBondContact O-CG 3.26Å; T263-L267 PolarHBondContact O-N 3.39Å; T264-L267 PolarHBondContact O-N 3.28Å; L267-N269 PolarHBondContact O-N 3.49Å; L267-M270 PolarHBondContact O-N 2.8Å; L267-A271 WeakPolarHBondContact O-CB 3.41Å; L267-A271 PolarHBondContact O-N 2.77Å
268	K	95.5	Very high	95.9	Very high	113 Å²	113	68.6 Å²	68.6	49%	0.491	36%	0.362	S	S	.	.	H	α-helix	trans	-60.8	-45.1	175.6	-74.2	177.2	-179.8	-177.1	0	111.8	T264 K265 A271 Q272	T264-K268 WeakPolarHBondContact O-CB 3.1Å; T264-K268 VanDerWaalsContact O-CG 3.29Å; T264-K268 WeakPolarHBondContact O-CG 3.3Å; T264-K268 PolarHBondContact O-N 3.29Å; K265-K268 PolarHBondContact O-N 3.33Å; K268-A271 PolarHBondContact O-N 2.95Å; K268-Q272 WeakPolarHBondContact O-CB 3.42Å; K268-Q272 VanDerWaalsContact O-CG 3.25Å; K268-Q272 WeakPolarHBondContact O-CG 3.46Å; K268-Q272 PolarHBondContact O-N 2.72Å
269	N	97.6	Very high	95	Very high	76 Å²	76	75.3 Å²	75.3	41%	0.406	39%	0.39	S	S	.	.	H	α-helix	trans	-61.9	-45.2	177	-73.1	-4	0	0	0	111.4	K265 N266 L267 Q272 S273	K265-N269 WeakPolarHBondContact O-CB 3.46Å; K265-N269 PolarHBondContact O-N 3.05Å; K265-N269 PolarHBondContact O-OD1 3.26Å; N266-N269 PolarHBondContact O-N 3.13Å; L267-N269 PolarHBondContact O-N 3.49Å; N269-Q272 PolarHBondContact O-N 2.87Å; N269-S273 WeakPolarHBondContact O-CB 3.47Å; N269-S273 PolarHBondContact O-N 2.95Å; N269-S273 PolarHBondContact O-OG 3.33Å
270	M	98.3	Very high	93.2	Very high	66 Å²	66	83.1 Å²	83.1	33%	0.325	42%	0.422	S	S	.	.	H	α-helix	trans	-59.2	-48.6	176.8	178.2	-176.3	-69.8	0	0	111.4	I135 P136 N266 L267 S273 S274	I135-M270 HydrophobicContact CD1-CG 4.44Å; P136-M270 HydrophobicContact CG-CG 4.36Å; N266-M270 WeakPolarHBondContact O-CB 3.38Å; N266-M270 PolarHBondContact O-N 3.11Å; L267-M270 PolarHBondContact O-N 2.8Å; M270-S273 PolarHBondContact O-N 3.43Å; M270-S273 PolarHBondContact O-OG 2.75Å; M270-S273 VanDerWaalsContact O-OG 3.12Å; M270-S274 WeakPolarHBondContact O-CB 3.31Å; M270-S274 PolarHBondContact O-N 3.41Å; M270-S274 VanDerWaalsContact O-N 3.16Å; M270-S274 PolarHBondContact O-OG 3.4Å
271	A	97.3	Very high	93	Very high	9 Å²	9	87.1 Å²	87.1	7%	0.074	44%	0.443	C	S	.	.	H	α-helix	trans	-59.7	-47.9	177.5	0	0	0	0	0	111.3	I135 E204 L267 K268 S274	I135-A271 HydrophobicContact CD1-CB 4.5Å; E204-A271 WeakPolarHBondContact O-CB 3.11Å; L267-A271 WeakPolarHBondContact O-CB 3.41Å; L267-A271 PolarHBondContact O-N 2.77Å; K268-A271 PolarHBondContact O-N 2.95Å; A271-S274 WeakPolarHBondContact O-CB 3.06Å; A271-S274 PolarHBondContact O-N 3.48Å
272	Q	96.8	Very high	92.9	Very high	135 Å²	135	88.8 Å²	88.8	63%	0.631	45%	0.448	S	S	*	.	H	α-helix	trans	-63.1	-44.7	179.1	-73.6	173.9	-12.1	0	0	112.8	K268 N269 S274 V275	K268-Q272 WeakPolarHBondContact O-CB 3.42Å; K268-Q272 VanDerWaalsContact O-CG 3.25Å; K268-Q272 WeakPolarHBondContact O-CG 3.46Å; K268-Q272 PolarHBondContact O-N 2.72Å; N269-Q272 PolarHBondContact O-N 2.87Å; Q272-S274 PolarHBondContact O-N 2.71Å; Q272-V275 PolarHBondContact O-N 3.35Å
273	S	97.3	Very high	92.8	Very high	98 Å²	98	87.7 Å²	87.7	69%	0.685	45%	0.445	S	S	*	.	H	α-helix	trans	-70.8	-12.1	-179.8	64.3	0	0	0	0	113.5	N269 M270 V275	N269-S273 WeakPolarHBondContact O-CB 3.47Å; N269-S273 PolarHBondContact O-N 2.95Å; N269-S273 PolarHBondContact O-OG 3.33Å; M270-S273 PolarHBondContact O-N 3.43Å; M270-S273 PolarHBondContact O-OG 2.75Å; M270-S273 VanDerWaalsContact O-OG 3.12Å; S273-V275 VanDerWaalsContact C-N 3.33Å
274	S	97.9	Very high	92.5	Very high	13 Å²	13	91 Å²	91	9%	0.091	46%	0.46	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.6	-5.9	178.7	-58.4	0	0	0	0	113	C133 H134 P136 M270 A271 Q272	C133-S274 WeakPolarHBondContact CA-O 3.44Å; H134-S274 PolarHBondContact N-O 2.94Å; P136-S274 VanDerWaalsContact CD-OG 3.25Å; P136-S274 WeakPolarHBondContact CD-OG 3.42Å; M270-S274 WeakPolarHBondContact O-CB 3.31Å; M270-S274 PolarHBondContact O-N 3.41Å; M270-S274 VanDerWaalsContact O-N 3.16Å; M270-S274 PolarHBondContact O-OG 3.4Å; A271-S274 WeakPolarHBondContact O-CB 3.06Å; A271-S274 PolarHBondContact O-N 3.48Å; Q272-S274 PolarHBondContact O-N 2.71Å
275	V	98	Very high	92.4	Very high	29 Å²	29	96.2 Å²	96.2	18%	0.176	49%	0.486	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	120.3	-176.9	-175.3	0	0	0	0	110.7	Y122 V132 C133 Q272 S273 L277	Y122-V275 HydrophobicContact CD1-CG1 3.99Å; Y122-V275 HydrophobicContact CD1-CG2 4.18Å; Y122-V275 HydrophobicContact CE1-CB 4.33Å; Y122-V275 HydrophobicContact CE1-CG1 3.77Å; Y122-V275 HydrophobicContact CE1-CG2 3.52Å; Y122-V275 HydrophobicContact CE2-CG2 4.1Å; Y122-V275 VanDerWaalsContact CZ-CG2 3.48Å; V132-V275 WeakPolarHBondContact O-CA 3.28Å; C133-V275 HydrophobicContact CB-CG2 4.26Å; Q272-V275 PolarHBondContact O-N 3.35Å; S273-V275 VanDerWaalsContact C-N 3.33Å; V275-L277 HydrophobicContact CG1-CD2 4.14Å
276	M	96.5	Very high	92.1	Very high	109 Å²	109	94.9 Å²	94.9	54%	0.537	49%	0.485	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	115.8	169.5	-63	-174.5	-60.6	0	0	109.7	G131 V132 H134	G131-M276 CarbonylContact C-O 3.5Å; G131-M276 WeakPolarHBondContact CA-O 3.26Å; V132-M276 HydrophobicContact CB-CE 4.15Å; V132-M276 HydrophobicContact CG1-CE 4.16Å; V132-M276 PolarHBondContact N-O 2.75Å; V132-M276 PolarHBondContact O-N 3.48Å; H134-M276 WeakPolarHBondContact CD2-CE 3.38Å; H134-M276 VanDerWaalsContact NE2-CE 3.26Å; H134-M276 WeakPolarHBondContact NE2-CE 3.42Å
277	L	93.9	Very high	91.7	Very high	113 Å²	113	95.8 Å²	95.8	59%	0.592	49%	0.488	S	S	*	.	P	Polyproline II helix	trans	-88.1	152.4	174.1	-64.5	174.5	0	0	0	110.9	P130 V275 K279	P130-L277 HydrophobicContact CB-CD2 4.46Å; P130-L277 HydrophobicContact CG-CD2 4.25Å; P130-L277 WeakPolarHBondContact O-CD2 3.38Å; V275-L277 HydrophobicContact CG1-CD2 4.14Å; L277-K279 PolarHBondContact O-N 3.34Å
278	P	83.2	Confident	91.3	Very high	96 Å²	96	101.7 Å²	101.7	62%	0.623	52%	0.517	S	S	*	.	P	Polyproline II helix	trans	-54.7	135.1	171.2	-22.1	32.6	0	0	0	110.6	H280	P278-H280 PolarHBondContact O-N 3.37Å
279	K	76.3	Confident	91	Very high	206 Å²	206	100.8 Å²	100.8	90%	0.896	52%	0.52	S	S	*	.	P	Polyproline II helix	trans	-76.4	121.9	168.2	-66.8	-177.8	179.5	179.1	0	107.6	L277	L277-K279 PolarHBondContact O-N 3.34Å
280	H	58.8	Low	90.4	Very high	259 Å²	259	103 Å²	103	100%	1.199	53%	0.53	S	S	*	.			trans	-66.1	0	168.4	-67.3	-60.7	0	0	0	111.1	P278	P278-H280 PolarHBondContact O-N 3.37Å

Retrieved 280 of 280 residues in 478.2 ms (Link to these results)

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