A0A087X848_POEFO Loading...

Glyoxylate reductase/hydroxypyruvate reductase

AlphaFold DB , UniProt , Accession A0A087X848, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 329 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	36.4	Very low	70.1	Confident	242 Å²	242	106.2 Å²	106.2	100%	1.192	56%	0.559	S	S	*	*				0	107.5	0	-68.6	171.6	-164.9	0	0	107.6	A3	M1-A3 PolarHBondContact O-N 2.69Å
2	K	36.2	Very low	72.5	Confident	208 Å²	208	97.3 Å²	97.3	90%	0.904	51%	0.512	S	S	*	.			trans	-71.4	115.3	170.6	-78.9	-178.9	175.7	179.4	0	106.1	V4	K2-V4 PolarHBondContact O-N 2.79Å
3	A	39.7	Very low	74.5	Confident	89 Å²	89	89.8 Å²	89.8	74%	0.736	47%	0.473	S	S	*	.			trans	-51.6	127.7	170.8	0	0	0	0	0	107.9	M1 R5	M1-A3 PolarHBondContact O-N 2.69Å; A3-R5 PolarHBondContact O-N 3.29Å
4	V	42.9	Very low	76.2	Confident	146 Å²	146	84.6 Å²	84.6	89%	0.885	44%	0.443	S	S	*	.			trans	-62.9	96.1	168.1	-179.3	0	0	0	0	105	K2 G6	K2-V4 PolarHBondContact O-N 2.79Å; V4-G6 PolarHBondContact O-N 2.68Å; V4-G6 VanDerWaalsContact O-N 3.08Å
5	R	59.8	Low	77.7	Confident	235 Å²	235	86.1 Å²	86.1	89%	0.887	44%	0.441	S	S	*	.			trans	-60.1	115	172.4	-106.7	-178.5	175.2	-177.8	-1.5	105.5	A3	A3-R5 PolarHBondContact O-N 3.29Å
6	G	76.9	Confident	79	Confident	62 Å²	62	81.8 Å²	81.8	64%	0.639	42%	0.419	S	S	*	.	P	Polyproline II helix	trans	-56.4	148	174.1	0	0	0	0	0	110.3	V4 M8	V4-G6 PolarHBondContact O-N 2.68Å; V4-G6 VanDerWaalsContact O-N 3.08Å; G6-M8 PolarHBondContact O-N 3.14Å
7	L	89	Confident	80.1	Confident	85 Å²	85	79.4 Å²	79.4	45%	0.445	41%	0.409	S	S	.	.	P	Polyproline II helix	trans	-58.4	136.6	176.5	-68.3	172.1	0	0	0	109.8	K9 G29 E32	L7-K9 PolarHBondContact O-N 3.42Å; L7-G29 WeakPolarHBondContact CD2-O 3.41Å; L7-E32 HydrophobicContact CB-CB 4.06Å; L7-E32 HydrophobicContact CD1-CB 4.33Å
8	M	95.9	Very high	81.1	Confident	30 Å²	30	82.4 Å²	82.4	15%	0.148	42%	0.422	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77	119.4	177	-67.3	176.5	-71.5	0	0	109.6	G6 V10 V30 C31 E32 H55 K78 L318 Q319	G6-M8 PolarHBondContact O-N 3.14Å; M8-V10 PolarHBondContact O-N 3.3Å; M8-V30 HydrophobicContact CE-CG1 3.59Å; M8-V30 VanDerWaalsContact CE-O 3.23Å; M8-V30 WeakPolarHBondContact CE-O 3.34Å; M8-V30 PolarHBondContact N-O 2.91Å; M8-C31 HydrophobicContact CB-CB 4.45Å; M8-C31 CarbonylContact O-C 3.57Å; M8-C31 WeakPolarHBondContact O-CA 3.44Å; M8-C31 WeakPolarHBondContact O-CB 3.44Å; M8-E32 PolarHBondContact O-N 2.69Å; M8-H55 HydrophobicContact CB-CB 3.93Å; M8-H55 HydrophobicContact CG-CB 4.43Å; M8-K78 PolarHBondContact SD-NZ 3.48Å; M8-L318 HydrophobicContact CB-CD2 4.18Å; M8-L318 HydrophobicContact CE-CB 3.82Å; M8-L318 HydrophobicContact SD-CB 4Å; M8-L318 HydrophobicContact SD-CD2 4.13Å; M8-L318 VanDerWaalsContact SD-O 3.35Å; M8-Q319 HydrophobicContact CE-CG 4.43Å
9	K	97.4	Very high	82	Confident	63 Å²	63	82.4 Å²	82.4	27%	0.274	42%	0.419	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.4	130.5	175.2	-175.9	178.2	176.6	-173.3	0	111.3	L7 E32 G50 Q52 H55 G56	L7-K9 PolarHBondContact O-N 3.42Å; K9-E32 CarbonylContact C-O 3.59Å; K9-E32 WeakPolarHBondContact CA-O 3.33Å; K9-G50 PolarHBondContact NZ-O 2.75Å; K9-Q52 PolarHBondContact NZ-O 3.2Å; K9-H55 PolarHBondContact N-ND1 2.83Å; K9-H55 WeakPolarHBondContact O-CA 3.31Å; K9-H55 WeakPolarHBondContact O-CB 3.49Å; K9-H55 PolarHBondContact O-N 2.91Å; K9-G56 PolarHBondContact O-N 3.23Å
10	V	98.3	Very high	82.8	Confident	0 Å²	0	78.3 Å²	78.3	0%	0	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	138.3	172.9	166.1	0	0	0	0	108.9	M8 I12 C31 E32 V33 S34 G56 L314 L318	M8-V10 PolarHBondContact O-N 3.3Å; V10-I12 HydrophobicContact CG1-CG1 3.95Å; V10-C31 HydrophobicContact CG2-CB 3.81Å; V10-E32 PolarHBondContact N-O 2.82Å; V10-V33 HydrophobicContact CB-CG2 4.31Å; V10-V33 HydrophobicContact CG1-CG2 4.43Å; V10-S34 PolarHBondContact O-N 3.32Å; V10-G56 WeakPolarHBondContact CA-O 3.38Å; V10-L314 HydrophobicContact CG1-CD2 3.7Å; V10-L314 HydrophobicContact CG2-CD2 4.21Å; V10-L318 HydrophobicContact CG2-CD1 3.55Å; V10-L318 HydrophobicContact CG2-CD2 4.48Å
11	F	98.7	Very high	83.4	Confident	8 Å²	8	77 Å²	77	4%	0.035	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	132.2	167.6	-172.1	-114.9	0	0	0	110.7	T13 S34 W36 V42 L47 V51 G56 L57 L58	F11-T13 HydrophobicContact CD1-CG2 4.24Å; F11-T13 HydrophobicContact CE1-CG2 4.05Å; F11-S34 CarbonylContact C-O 3.57Å; F11-S34 VanDerWaalsContact CA-O 3.31Å; F11-S34 WeakPolarHBondContact CA-O 3.34Å; F11-W36 HydrophobicContact CZ-CB 4.36Å; F11-V42 HydrophobicContact CZ-CG2 4.39Å; F11-L47 HydrophobicContact CD1-CD1 4.27Å; F11-L47 HydrophobicContact CE1-CD1 3.87Å; F11-V51 HydrophobicContact CD1-CG1 3.84Å; F11-G56 PolarHBondContact N-O 3.23Å; F11-L57 HydrophobicContact CB-CD1 4.36Å; F11-L57 HydrophobicContact CD1-CD1 3.93Å; F11-L57 WeakPolarHBondContact O-CA 3.43Å; F11-L58 PolarHBondContact O-N 3.49Å
12	I	98.7	Very high	86.2	Confident	0 Å²	0	70.8 Å²	70.8	0%	0	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	121.6	176.3	-53.9	-174.9	0	0	0	108.2	V10 R14 I16 L24 V33 S34 Q35 W36 L58	V10-I12 HydrophobicContact CG1-CG1 3.95Å; I12-R14 VanDerWaalsContact C-N 3.25Å; I12-R14 WeakPolarHBondContact CG2-O 3.37Å; I12-R14 PolarHBondContact O-N 3.42Å; I12-I16 HydrophobicContact CG2-CG2 4.1Å; I12-L24 HydrophobicContact CD1-CD1 3.41Å; I12-L24 VanDerWaalsContact CD1-CD1 3.41Å; I12-V33 HydrophobicContact CD1-CG1 3.49Å; I12-V33 VanDerWaalsContact CD1-CG1 3.49Å; I12-V33 HydrophobicContact CG1-CG1 3.9Å; I12-S34 PolarHBondContact N-O 3.14Å; I12-Q35 HydrophobicContact CB-CB 4.17Å; I12-Q35 HydrophobicContact CB-CG 4.02Å; I12-Q35 HydrophobicContact CG2-CG 4.2Å; I12-Q35 WeakPolarHBondContact O-CA 3.44Å; I12-W36 PolarHBondContact O-N 3.29Å; I12-L58 HydrophobicContact CB-CB 4.43Å; I12-L58 HydrophobicContact CG1-CB 4.08Å; I12-L58 HydrophobicContact CG2-CB 4.26Å; I12-L58 HydrophobicContact CG2-CD2 4.11Å
13	T	98.7	Very high	89.1	Confident	0 Å²	0	63.4 Å²	63.4	0%	0	33%	0.333	C	S	.	.	S	Bend	trans	-77.9	-3.3	-172.1	63.1	0	0	0	0	114.7	F11 W36 V42 L47 L57 L58 C59 D63	F11-T13 HydrophobicContact CD1-CG2 4.24Å; F11-T13 HydrophobicContact CE1-CG2 4.05Å; T13-W36 VanDerWaalsContact O-CD1 3.32Å; T13-V42 HydrophobicContact CG2-CG1 4.21Å; T13-L47 HydrophobicContact CG2-CD1 3.84Å; T13-L57 HydrophobicContact CG2-CD1 3.87Å; T13-L58 PolarHBondContact N-O 3.28Å; T13-L58 PolarHBondContact OG1-O 3.12Å; T13-C59 HydrophobicContact CG2-CB 4.09Å; T13-C59 WeakPolarHBondContact OG1-CA 3.33Å; T13-D63 WeakPolarHBondContact CB-OD2 3.39Å; T13-D63 PolarHBondContact OG1-OD2 2.8Å
14	R	98.4	Very high	91.7	Very high	16 Å²	16	60.1 Å²	60.1	6%	0.06	30%	0.303	C	S	.	.	S	Bend	trans	-159.8	165.2	-179.4	-147.6	60.8	57.1	93	15.4	113.5	I12 I16 W36 S38 D39 E40 P41 L60 D63	I12-R14 VanDerWaalsContact C-N 3.25Å; I12-R14 WeakPolarHBondContact CG2-O 3.37Å; I12-R14 PolarHBondContact O-N 3.42Å; R14-I16 PolarHBondContact O-N 3.22Å; R14-W36 CarbonylContact C-O 3.47Å; R14-W36 WeakPolarHBondContact CA-O 3.49Å; R14-S38 WeakPolarHBondContact CD-O 3.4Å; R14-S38 VanDerWaalsContact CG-O 3.28Å; R14-S38 WeakPolarHBondContact CG-O 3.4Å; R14-D39 WeakPolarHBondContact CD-O 3.4Å; R14-D39 PolarHBondContact NH1-O 3.24Å; R14-E40 WeakPolarHBondContact CD-O 3.1Å; R14-E40 VanDerWaalsContact CZ-O 3.3Å; R14-E40 PolarHBondContact NE-O 3.45Å; R14-E40 VanDerWaalsContact NE-O 3.13Å; R14-E40 PolarHBondContact NH1-O 3.04Å; R14-P41 VanDerWaalsContact NH2-CA 3.35Å; R14-L60 HydrophobicContact CB-CD1 3.64Å; R14-L60 HydrophobicContact CB-CG 4.32Å; R14-L60 HydrophobicContact CG-CD1 3.92Å; R14-D63 IonicContact NH2-OD1 3.32Å; R14-D63 PolarHBondContact NH2-OD1 3.43Å
15	R	98.5	Very high	93.9	Very high	108 Å²	108	57 Å²	57	41%	0.408	29%	0.287	S	S	.	.			trans	-58	130.8	154.6	-76.2	-169.5	-100.6	130	2.9	110.2	W36 D37 S38 D39	R15-W36 PolarHBondContact N-O 3.08Å; R15-D37 WeakPolarHBondContact CD-OD1 3.33Å; R15-D37 VanDerWaalsContact CG-OD1 3.24Å; R15-D37 WeakPolarHBondContact CG-OD1 3.37Å; R15-D37 IonicContact NE-OD1 3.03Å; R15-D37 PolarHBondContact NE-OD1 3.3Å; R15-S38 PolarHBondContact N-O 3.02Å; R15-S38 VanDerWaalsContact N-O 3.15Å; R15-D39 IonicContact CZ-OD1 3.69Å; R15-D39 VanDerWaalsContact CZ-OD1 3.28Å; R15-D39 IonicContact CZ-OD2 3.76Å; R15-D39 IonicContact NE-OD1 3.02Å; R15-D39 IonicContact NH1-OD1 3.33Å; R15-D39 PolarHBondContact NH1-OD1 2.65Å; R15-D39 IonicContact NH1-OD2 2.71Å; R15-D39 PolarHBondContact NH1-OD2 2.81Å; R15-D39 IonicContact NH2-OD1 3.59Å; R15-D39 IonicContact NH2-OD2 3.89Å; R15-D39 PolarHBondContact NH2-OD2 3.37Å
16	I	98.1	Very high	95.2	Very high	17 Å²	17	48.8 Å²	48.8	9%	0.087	28%	0.276	C	S	.	.			trans	-116.5	158.8	178.2	63.4	173.8	0	0	0	110.5	I12 R14 L24 L58 V311	I12-I16 HydrophobicContact CG2-CG2 4.1Å; R14-I16 PolarHBondContact O-N 3.22Å; I16-L24 HydrophobicContact CD1-CD1 4.28Å; I16-L58 HydrophobicContact CD1-CD1 4.15Å; I16-L58 HydrophobicContact CG2-CD2 4.02Å; I16-V311 HydrophobicContact CD1-CG2 3.92Å
17	P	98.3	Very high	95.6	Very high	40 Å²	40	46.7 Å²	46.7	26%	0.26	25%	0.252	S	S	.	.			trans	-55.3	149.1	175.6	-27.3	34.8	0	0	0	113.8	E19 G20 T21 M83 R303 S307	P17-E19 WeakPolarHBondContact CB-OE2 3.39Å; P17-E19 PolarHBondContact O-N 3.39Å; P17-E19 VanDerWaalsContact O-N 3.14Å; P17-G20 PolarHBondContact O-N 3.2Å; P17-T21 PolarHBondContact O-N 2.92Å; P17-M83 HydrophobicContact CG-CE 3.96Å; P17-R303 HydrophobicContact CG-CB 4.05Å; P17-S307 PolarHBondContact O-OG 2.63Å
18	Q	97.4	Very high	95.1	Very high	135 Å²	135	48.2 Å²	48.2	63%	0.631	27%	0.266	S	S	*	.	H	α-helix	trans	-52.9	-37.4	-171	179	173.2	-9.4	0	0	113.3	G20 T21 E22	Q18-G20 VanDerWaalsContact C-N 3.26Å; Q18-G20 PolarHBondContact O-N 2.96Å; Q18-T21 CarbonylContact O-C 3.52Å; Q18-T21 WeakPolarHBondContact O-CB 3.46Å; Q18-T21 PolarHBondContact O-N 2.97Å; Q18-E22 HydrophobicContact CG-CG 3.99Å; Q18-E22 WeakPolarHBondContact CG-OE1 3.25Å; Q18-E22 PolarHBondContact NE2-OE1 3.14Å; Q18-E22 WeakPolarHBondContact O-CG 3.34Å; Q18-E22 PolarHBondContact O-N 3.4Å
19	E	98.3	Very high	94.4	Very high	81 Å²	81	50 Å²	50	38%	0.379	29%	0.291	S	S	.	.	H	α-helix	trans	-58.4	-36.2	-178.9	-62.1	85.8	162.9	0	0	112.6	P17 I23 G304 A308	P17-E19 WeakPolarHBondContact CB-OE2 3.39Å; P17-E19 PolarHBondContact O-N 3.39Å; P17-E19 VanDerWaalsContact O-N 3.14Å; E19-I23 WeakPolarHBondContact O-CD1 3.25Å; E19-I23 VanDerWaalsContact O-CG1 3.31Å; E19-I23 WeakPolarHBondContact O-CG1 3.4Å; E19-I23 PolarHBondContact O-N 3.13Å; E19-G304 VanDerWaalsContact OE2-CA 3.22Å; E19-G304 WeakPolarHBondContact OE2-CA 3.31Å; E19-A308 HydrophobicContact CB-CB 4.25Å
20	G	97.9	Very high	93.9	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-74.5	-41.5	173.6	0	0	0	0	0	112.2	P17 Q18 E22 I23 L24 S307	P17-G20 PolarHBondContact O-N 3.2Å; Q18-G20 VanDerWaalsContact C-N 3.26Å; Q18-G20 PolarHBondContact O-N 2.96Å; G20-E22 VanDerWaalsContact C-N 3.33Å; G20-E22 PolarHBondContact O-N 3.4Å; G20-I23 PolarHBondContact O-N 3.11Å; G20-L24 PolarHBondContact O-N 3.28Å; G20-S307 WeakPolarHBondContact CA-OG 3.27Å; G20-S307 PolarHBondContact N-OG 2.81Å
21	T	95.3	Very high	93.6	Very high	53 Å²	53	49.3 Å²	49.3	33%	0.325	29%	0.293	S	S	.	.	H	α-helix	trans	-61.8	-39.9	178.3	-54.1	0	0	0	0	111.9	P17 Q18 L24 S25	P17-T21 PolarHBondContact O-N 2.92Å; Q18-T21 CarbonylContact O-C 3.52Å; Q18-T21 WeakPolarHBondContact O-CB 3.46Å; Q18-T21 PolarHBondContact O-N 2.97Å; T21-L24 PolarHBondContact O-N 3.41Å; T21-S25 WeakPolarHBondContact O-CB 3.31Å; T21-S25 PolarHBondContact O-N 3.1Å; T21-S25 PolarHBondContact O-OG 3.23Å
22	E	96.3	Very high	93.4	Very high	111 Å²	111	54.8 Å²	54.8	52%	0.519	32%	0.318	S	S	.	.	H	α-helix	trans	-63	-42.9	175.5	-74	177.3	174.8	0	0	112	Q18 G20 S25 G26	Q18-E22 HydrophobicContact CG-CG 3.99Å; Q18-E22 WeakPolarHBondContact CG-OE1 3.25Å; Q18-E22 PolarHBondContact NE2-OE1 3.14Å; Q18-E22 WeakPolarHBondContact O-CG 3.34Å; Q18-E22 PolarHBondContact O-N 3.4Å; G20-E22 VanDerWaalsContact C-N 3.33Å; G20-E22 PolarHBondContact O-N 3.4Å; E22-S25 PolarHBondContact O-N 2.83Å; E22-G26 PolarHBondContact O-N 3.1Å
23	I	96.4	Very high	93.3	Very high	53 Å²	53	57.7 Å²	57.7	27%	0.272	34%	0.336	S	S	.	.	H	α-helix	trans	-64.1	-43.3	176.3	-65.4	168.5	0	0	0	111	E19 G20 S25 G26 A27 A308 V311 Q312 L315	E19-I23 WeakPolarHBondContact O-CD1 3.25Å; E19-I23 VanDerWaalsContact O-CG1 3.31Å; E19-I23 WeakPolarHBondContact O-CG1 3.4Å; E19-I23 PolarHBondContact O-N 3.13Å; G20-I23 PolarHBondContact O-N 3.11Å; I23-S25 VanDerWaalsContact C-N 3.31Å; I23-S25 PolarHBondContact O-N 3.36Å; I23-G26 PolarHBondContact O-N 3.48Å; I23-A27 PolarHBondContact O-N 3.1Å; I23-A308 HydrophobicContact CD1-CB 3.65Å; I23-V311 HydrophobicContact CB-CG1 3.88Å; I23-V311 HydrophobicContact CG2-CB 4.49Å; I23-V311 HydrophobicContact CG2-CG1 3.52Å; I23-Q312 HydrophobicContact CD1-CG 4.24Å; I23-L315 HydrophobicContact CG2-CD1 3.89Å
24	L	93.6	Very high	93.2	Very high	20 Å²	20	60.1 Å²	60.1	11%	0.105	35%	0.353	C	S	.	.	H	α-helix	trans	-61.5	-41.1	175.6	-75.9	171.7	0	0	0	111.9	I12 I16 G20 T21 G26 A27 V33 V311 L315	I12-L24 HydrophobicContact CD1-CD1 3.41Å; I12-L24 VanDerWaalsContact CD1-CD1 3.41Å; I16-L24 HydrophobicContact CD1-CD1 4.28Å; G20-L24 PolarHBondContact O-N 3.28Å; T21-L24 PolarHBondContact O-N 3.41Å; L24-G26 VanDerWaalsContact C-N 3.31Å; L24-G26 PolarHBondContact O-N 3.37Å; L24-A27 PolarHBondContact O-N 2.99Å; L24-A27 VanDerWaalsContact O-N 3.16Å; L24-V33 HydrophobicContact CD2-CG2 4.29Å; L24-V311 HydrophobicContact CD1-CG2 4.03Å; L24-V311 HydrophobicContact CD2-CG1 3.71Å; L24-V311 HydrophobicContact CD2-CG2 4.46Å; L24-V311 HydrophobicContact CG-CB 4.46Å; L24-V311 HydrophobicContact CG-CG1 3.62Å; L24-V311 HydrophobicContact CG-CG2 3.95Å; L24-L315 HydrophobicContact CD2-CD2 4.46Å
25	S	89.9	Confident	93.1	Very high	79 Å²	79	62.5 Å²	62.5	55%	0.552	37%	0.365	S	S	*	.	H	α-helix	trans	-67	-33.8	-179.8	-57.3	0	0	0	0	111.8	T21 E22 I23 T28	T21-S25 WeakPolarHBondContact O-CB 3.31Å; T21-S25 PolarHBondContact O-N 3.1Å; T21-S25 PolarHBondContact O-OG 3.23Å; E22-S25 PolarHBondContact O-N 2.83Å; I23-S25 VanDerWaalsContact C-N 3.31Å; I23-S25 PolarHBondContact O-N 3.36Å; S25-T28 VanDerWaalsContact O-CG2 3.26Å; S25-T28 WeakPolarHBondContact O-CG2 3.44Å
26	G	87.3	Confident	93.1	Very high	63 Å²	63	60.7 Å²	60.7	65%	0.649	36%	0.358	S	S	*	.	H	α-helix	trans	-71.9	-23.7	172.7	0	0	0	0	0	114.3	E22 I23 L24 T28	E22-G26 PolarHBondContact O-N 3.1Å; I23-G26 PolarHBondContact O-N 3.48Å; L24-G26 VanDerWaalsContact C-N 3.31Å; L24-G26 PolarHBondContact O-N 3.37Å; G26-T28 PolarHBondContact O-N 2.99Å
27	A	86.1	Confident	93.1	Very high	18 Å²	18	65.6 Å²	65.6	15%	0.149	38%	0.384	C	S	.	.			trans	-81.3	37	-179	0	0	0	0	0	113.6	I23 L24 G29 V30 L315	I23-A27 PolarHBondContact O-N 3.1Å; L24-A27 PolarHBondContact O-N 2.99Å; L24-A27 VanDerWaalsContact O-N 3.16Å; A27-G29 PolarHBondContact O-N 3.22Å; A27-V30 HydrophobicContact CB-CG2 4.4Å; A27-V30 WeakPolarHBondContact O-CB 3.45Å; A27-V30 PolarHBondContact O-N 3.21Å; A27-L315 HydrophobicContact CB-CD1 3.83Å; A27-L315 HydrophobicContact CB-CD2 4.05Å
28	T	78.1	Confident	93.1	Very high	118 Å²	118	65 Å²	65	72%	0.724	38%	0.381	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.6	134.2	178.8	62.5	0	0	0	0	111.2	S25 G26 V30	S25-T28 VanDerWaalsContact O-CG2 3.26Å; S25-T28 WeakPolarHBondContact O-CG2 3.44Å; G26-T28 PolarHBondContact O-N 2.99Å; T28-V30 PolarHBondContact O-N 3.24Å
29	G	81.4	Confident	93.1	Very high	66 Å²	66	63.4 Å²	63.4	68%	0.68	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	85.9	-4.5	-179.8	0	0	0	0	0	115.9	L7 A27	L7-G29 WeakPolarHBondContact CD2-O 3.41Å; A27-G29 PolarHBondContact O-N 3.22Å
30	V	86.1	Confident	93	Very high	32 Å²	32	65.8 Å²	65.8	19%	0.194	39%	0.388	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.3	-49.8	177	-179.2	0	0	0	0	111.5	M8 A27 T28 L315 Q319	M8-V30 HydrophobicContact CE-CG1 3.59Å; M8-V30 VanDerWaalsContact CE-O 3.23Å; M8-V30 WeakPolarHBondContact CE-O 3.34Å; M8-V30 PolarHBondContact N-O 2.91Å; A27-V30 HydrophobicContact CB-CG2 4.4Å; A27-V30 WeakPolarHBondContact O-CB 3.45Å; A27-V30 PolarHBondContact O-N 3.21Å; T28-V30 PolarHBondContact O-N 3.24Å; V30-L315 HydrophobicContact CG1-CD2 4.24Å; V30-Q319 HydrophobicContact CG1-CG 4.05Å
31	C	92.5	Very high	93	Very high	17 Å²	17	69.4 Å²	69.4	12%	0.115	41%	0.412	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.2	156.5	-172.1	54.2	0	0	0	0	112.7	M8 V10 L318	M8-C31 HydrophobicContact CB-CB 4.45Å; M8-C31 CarbonylContact O-C 3.57Å; M8-C31 WeakPolarHBondContact O-CA 3.44Å; M8-C31 WeakPolarHBondContact O-CB 3.44Å; V10-C31 HydrophobicContact CG2-CB 3.81Å; C31-L318 HydrophobicContact CB-CD1 4.22Å
32	E	94.7	Very high	93.1	Very high	124 Å²	124	67.4 Å²	67.4	58%	0.579	40%	0.399	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-105.4	122.5	166.8	-178.1	-175	171.1	0	0	107.7	L7 M8 K9 V10	L7-E32 HydrophobicContact CB-CB 4.06Å; L7-E32 HydrophobicContact CD1-CB 4.33Å; M8-E32 PolarHBondContact O-N 2.69Å; K9-E32 CarbonylContact C-O 3.59Å; K9-E32 WeakPolarHBondContact CA-O 3.33Å; V10-E32 PolarHBondContact N-O 2.82Å
33	V	95.8	Very high	93.2	Very high	60 Å²	60	65.1 Å²	65.1	36%	0.364	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	124.3	-174.5	178.9	0	0	0	0	110.2	V10 I12 L24	V10-V33 HydrophobicContact CB-CG2 4.31Å; V10-V33 HydrophobicContact CG1-CG2 4.43Å; I12-V33 HydrophobicContact CD1-CG1 3.49Å; I12-V33 VanDerWaalsContact CD1-CG1 3.49Å; I12-V33 HydrophobicContact CG1-CG1 3.9Å; L24-V33 HydrophobicContact CD2-CG2 4.29Å
34	S	96.4	Very high	93.3	Very high	51 Å²	51	66.2 Å²	66.2	36%	0.357	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	135.1	161.7	171.6	0	0	0	0	108.4	V10 F11 I12	V10-S34 PolarHBondContact O-N 3.32Å; F11-S34 CarbonylContact C-O 3.57Å; F11-S34 VanDerWaalsContact CA-O 3.31Å; F11-S34 WeakPolarHBondContact CA-O 3.34Å; I12-S34 PolarHBondContact N-O 3.14Å
35	Q	97.8	Very high	93.5	Very high	67 Å²	67	68.6 Å²	68.6	31%	0.313	42%	0.417	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	139.9	-176.3	179.8	176	-40.7	0	0	110.5	I12 D37	I12-Q35 HydrophobicContact CB-CB 4.17Å; I12-Q35 HydrophobicContact CB-CG 4.02Å; I12-Q35 HydrophobicContact CG2-CG 4.2Å; I12-Q35 WeakPolarHBondContact O-CA 3.44Å; Q35-D37 PolarHBondContact O-N 3.45Å
36	W	98.4	Very high	93.9	Very high	70 Å²	70	68.5 Å²	68.5	27%	0.265	41%	0.408	S	S	.	.			trans	-73.7	100	160.9	177.4	-111.8	0	0	0	109	F11 I12 T13 R14 R15 S38 E40 V42 P43 E46	F11-W36 HydrophobicContact CZ-CB 4.36Å; I12-W36 PolarHBondContact O-N 3.29Å; T13-W36 VanDerWaalsContact O-CD1 3.32Å; R14-W36 CarbonylContact C-O 3.47Å; R14-W36 WeakPolarHBondContact CA-O 3.49Å; R15-W36 PolarHBondContact N-O 3.08Å; W36-S38 PolarHBondContact O-N 3.01Å; W36-E40 PolarHBondContact NE1-O 3.16Å; W36-V42 HydrophobicContact CB-CB 4.24Å; W36-V42 HydrophobicContact CB-CG2 4.2Å; W36-V42 HydrophobicContact CD2-CB 4.16Å; W36-V42 HydrophobicContact CD2-CG2 3.99Å; W36-V42 HydrophobicContact CE3-CG2 4.3Å; W36-V42 HydrophobicContact CG-CB 3.79Å; W36-V42 HydrophobicContact CG-CG2 3.93Å; W36-P43 HydrophobicContact CH2-CG 4.37Å; W36-P43 HydrophobicContact CZ2-CG 4.36Å; W36-E46 HydrophobicContact CZ3-CB 4.4Å; W36-E46 HydrophobicContact CZ3-CG 4.18Å
37	D	97.6	Very high	94.5	Very high	120 Å²	120	65.7 Å²	65.7	64%	0.642	38%	0.378	S	S	*	.			trans	-80.7	62.3	-173.7	-168.8	24.5	0	0	0	112.8	R15 Q35	R15-D37 WeakPolarHBondContact CD-OD1 3.33Å; R15-D37 VanDerWaalsContact CG-OD1 3.24Å; R15-D37 WeakPolarHBondContact CG-OD1 3.37Å; R15-D37 IonicContact NE-OD1 3.03Å; R15-D37 PolarHBondContact NE-OD1 3.3Å; Q35-D37 PolarHBondContact O-N 3.45Å
38	S	98.2	Very high	95.1	Very high	27 Å²	27	66.4 Å²	66.4	19%	0.189	38%	0.379	C	S	.	.	S	Bend	trans	-144.4	161.1	178	-167.6	0	0	0	0	110.9	R14 R15 W36 E40	R14-S38 WeakPolarHBondContact CD-O 3.4Å; R14-S38 VanDerWaalsContact CG-O 3.28Å; R14-S38 WeakPolarHBondContact CG-O 3.4Å; R15-S38 PolarHBondContact N-O 3.02Å; R15-S38 VanDerWaalsContact N-O 3.15Å; W36-S38 PolarHBondContact O-N 3.01Å; S38-E40 WeakPolarHBondContact OG-CB 3.46Å; S38-E40 PolarHBondContact OG-N 3.38Å
39	D	96.4	Very high	96.1	Very high	101 Å²	101	66.9 Å²	66.9	54%	0.54	37%	0.371	S	S	.	.	S	Bend	trans	-84.4	-21.9	164.5	-57.8	-46.9	0	0	0	110.7	R14 R15	R14-D39 WeakPolarHBondContact CD-O 3.4Å; R14-D39 PolarHBondContact NH1-O 3.24Å; R15-D39 IonicContact CZ-OD1 3.69Å; R15-D39 VanDerWaalsContact CZ-OD1 3.28Å; R15-D39 IonicContact CZ-OD2 3.76Å; R15-D39 IonicContact NE-OD1 3.02Å; R15-D39 IonicContact NH1-OD1 3.33Å; R15-D39 PolarHBondContact NH1-OD1 2.65Å; R15-D39 IonicContact NH1-OD2 2.71Å; R15-D39 PolarHBondContact NH1-OD2 2.81Å; R15-D39 IonicContact NH2-OD1 3.59Å; R15-D39 IonicContact NH2-OD2 3.89Å; R15-D39 PolarHBondContact NH2-OD2 3.37Å
40	E	97.7	Very high	96.9	Very high	131 Å²	131	64.2 Å²	64.2	61%	0.612	34%	0.344	S	S	*	.	S	Bend	trans	-76.1	149.9	179.9	-65.5	-57.4	144.5	0	0	113.5	R14 W36 S38 V42	R14-E40 WeakPolarHBondContact CD-O 3.1Å; R14-E40 VanDerWaalsContact CZ-O 3.3Å; R14-E40 PolarHBondContact NE-O 3.45Å; R14-E40 VanDerWaalsContact NE-O 3.13Å; R14-E40 PolarHBondContact NH1-O 3.04Å; W36-E40 PolarHBondContact NE1-O 3.16Å; S38-E40 WeakPolarHBondContact OG-CB 3.46Å; S38-E40 PolarHBondContact OG-N 3.38Å; E40-V42 PolarHBondContact O-N 3.16Å
41	P	97.4	Very high	97.5	Very high	77 Å²	77	62.8 Å²	62.8	50%	0.5	34%	0.335	S	S	.	.			trans	-45.7	129.3	173.1	-30.4	38	0	0	0	114.2	R14 P43	R14-P41 VanDerWaalsContact NH2-CA 3.35Å; P41-P43 VanDerWaalsContact O-CD 3.23Å; P41-P43 WeakPolarHBondContact O-CD 3.48Å
42	V	98.1	Very high	97.7	Very high	11 Å²	11	67.3 Å²	67.3	7%	0.067	35%	0.354	C	S	.	.			trans	-62.3	121.4	171.6	59.8	0	0	0	0	107.7	F11 T13 W36 E40 E46 L47	F11-V42 HydrophobicContact CZ-CG2 4.39Å; T13-V42 HydrophobicContact CG2-CG1 4.21Å; W36-V42 HydrophobicContact CB-CB 4.24Å; W36-V42 HydrophobicContact CB-CG2 4.2Å; W36-V42 HydrophobicContact CD2-CB 4.16Å; W36-V42 HydrophobicContact CD2-CG2 3.99Å; W36-V42 HydrophobicContact CE3-CG2 4.3Å; W36-V42 HydrophobicContact CG-CB 3.79Å; W36-V42 HydrophobicContact CG-CG2 3.93Å; E40-V42 PolarHBondContact O-N 3.16Å; V42-E46 HydrophobicContact CG2-CB 3.91Å; V42-L47 HydrophobicContact CG1-CB 4.09Å; V42-L47 HydrophobicContact CG1-CD1 4.34Å; V42-L47 HydrophobicContact CG2-CB 4.15Å
43	P	98.1	Very high	97.9	Very high	63 Å²	63	62.8 Å²	62.8	41%	0.409	34%	0.342	S	S	.	.			trans	-61	147.7	178.1	-24.9	35.3	0	0	0	110.5	W36 P41 A45 E46 L47	W36-P43 HydrophobicContact CH2-CG 4.37Å; W36-P43 HydrophobicContact CZ2-CG 4.36Å; P41-P43 VanDerWaalsContact O-CD 3.23Å; P41-P43 WeakPolarHBondContact O-CD 3.48Å; P43-A45 VanDerWaalsContact C-N 3.28Å; P43-A45 PolarHBondContact O-N 3.41Å; P43-A45 VanDerWaalsContact O-N 3.16Å; P43-E46 HydrophobicContact CB-CG 4.48Å; P43-E46 PolarHBondContact O-N 2.88Å; P43-L47 PolarHBondContact O-N 3.33Å
44	R	97.8	Very high	98	Very high	76 Å²	76	60 Å²	60	29%	0.287	32%	0.324	S	S	.	.	H	α-helix	trans	-51.8	-45.2	-175.9	-177.8	56.3	171.2	-154.6	-4.3	113.3	E46 L47 L48 K64 D66 E68	R44-E46 VanDerWaalsContact C-N 3.35Å; R44-E46 PolarHBondContact O-N 3.41Å; R44-L47 WeakPolarHBondContact O-CB 3.27Å; R44-L47 PolarHBondContact O-N 2.75Å; R44-L48 HydrophobicContact CG-CD1 4.34Å; R44-L48 WeakPolarHBondContact O-CG 3.11Å; R44-L48 PolarHBondContact O-N 3.35Å; R44-K64 PolarHBondContact NH1-O 2.86Å; R44-D66 IonicContact CZ-OD1 3.19Å; R44-D66 IonicContact CZ-OD2 2.74Å; R44-D66 IonicContact NH1-OD1 2.79Å; R44-D66 IonicContact NH1-OD2 2.89Å; R44-D66 IonicContact NH2-OD1 2.69Å; R44-D66 PolarHBondContact NH2-OD1 3.28Å; R44-D66 IonicContact NH2-OD2 3.14Å; R44-D66 PolarHBondContact NH2-OD2 3.44Å; R44-E68 IonicContact CZ-OE2 3.42Å; R44-E68 IonicContact NE-OE2 3.53Å; R44-E68 PolarHBondContact NE-OE2 2.95Å; R44-E68 VanDerWaalsContact NE-OE2 3.14Å; R44-E68 IonicContact NH2-OE2 3.83Å; R44-E68 PolarHBondContact NH2-OE2 3.49Å
45	A	98.4	Very high	98.1	Very high	70 Å²	70	59.7 Å²	59.7	58%	0.579	32%	0.317	S	S	*	.	H	α-helix	trans	-62.2	-39.8	178.7	0	0	0	0	0	112.8	P43 K49	P43-A45 VanDerWaalsContact C-N 3.28Å; P43-A45 PolarHBondContact O-N 3.41Å; P43-A45 VanDerWaalsContact O-N 3.16Å; A45-K49 WeakPolarHBondContact O-CB 3.45Å; A45-K49 PolarHBondContact O-N 2.85Å; A45-K49 VanDerWaalsContact O-N 3.08Å
46	E	98.5	Very high	98.2	Very high	77 Å²	77	56.5 Å²	56.5	36%	0.36	30%	0.303	S	S	.	.	H	α-helix	trans	-72.8	-34.3	177.4	-66	-57	142.2	0	0	111.9	W36 V42 P43 R44 K49 G50	W36-E46 HydrophobicContact CZ3-CB 4.4Å; W36-E46 HydrophobicContact CZ3-CG 4.18Å; V42-E46 HydrophobicContact CG2-CB 3.91Å; P43-E46 HydrophobicContact CB-CG 4.48Å; P43-E46 PolarHBondContact O-N 2.88Å; R44-E46 VanDerWaalsContact C-N 3.35Å; R44-E46 PolarHBondContact O-N 3.41Å; E46-K49 PolarHBondContact O-N 3.26Å; E46-G50 PolarHBondContact O-N 3.09Å
47	L	98.8	Very high	98.2	Very high	4 Å²	4	53.2 Å²	53.2	2%	0.021	29%	0.29	C	S	.	.	H	α-helix	trans	-59.9	-52.4	171.4	174.5	61.2	0	0	0	110.5	F11 T13 V42 P43 R44 K49 G50 V51 I65 V69	F11-L47 HydrophobicContact CD1-CD1 4.27Å; F11-L47 HydrophobicContact CE1-CD1 3.87Å; T13-L47 HydrophobicContact CG2-CD1 3.84Å; V42-L47 HydrophobicContact CG1-CB 4.09Å; V42-L47 HydrophobicContact CG1-CD1 4.34Å; V42-L47 HydrophobicContact CG2-CB 4.15Å; P43-L47 PolarHBondContact O-N 3.33Å; R44-L47 WeakPolarHBondContact O-CB 3.27Å; R44-L47 PolarHBondContact O-N 2.75Å; L47-K49 VanDerWaalsContact C-N 3.28Å; L47-K49 PolarHBondContact O-N 3.44Å; L47-G50 PolarHBondContact O-N 2.97Å; L47-G50 VanDerWaalsContact O-N 3.16Å; L47-V51 HydrophobicContact CD1-CG1 3.87Å; L47-V51 WeakPolarHBondContact O-CG1 3.5Å; L47-V51 WeakPolarHBondContact O-CG2 3.27Å; L47-V51 PolarHBondContact O-N 3.4Å; L47-I65 HydrophobicContact CD2-CD1 4.3Å; L47-V69 HydrophobicContact CD2-CG1 4.48Å; L47-V69 HydrophobicContact CD2-CG2 3.85Å; L47-V69 HydrophobicContact CG-CG1 4.4Å; L47-V69 HydrophobicContact CG-CG2 4.33Å
48	L	98.8	Very high	98.3	Very high	33 Å²	33	47.6 Å²	47.6	17%	0.173	26%	0.26	C	S	.	.	H	α-helix	trans	-58.6	-40.2	179.9	-67.1	175.2	0	0	0	111.8	R44 V51 Q52 E68 V69 A72	R44-L48 HydrophobicContact CG-CD1 4.34Å; R44-L48 WeakPolarHBondContact O-CG 3.11Å; R44-L48 PolarHBondContact O-N 3.35Å; L48-V51 WeakPolarHBondContact O-CG2 3.32Å; L48-Q52 WeakPolarHBondContact O-CG 3.48Å; L48-E68 HydrophobicContact CD1-CG 4.28Å; L48-E68 HydrophobicContact CD2-CG 3.84Å; L48-V69 HydrophobicContact CD2-CG2 4.04Å; L48-A72 HydrophobicContact CB-CB 4.28Å; L48-A72 HydrophobicContact CD2-CB 3.81Å
49	K	98.6	Very high	98.3	Very high	128 Å²	128	46.3 Å²	46.3	56%	0.557	25%	0.251	S	S	*	.	H	α-helix	trans	-68.6	-44	175.1	-177.8	-176.9	172.8	-168.8	0	112.4	A45 E46 L47 V51 Q52	A45-K49 WeakPolarHBondContact O-CB 3.45Å; A45-K49 PolarHBondContact O-N 2.85Å; A45-K49 VanDerWaalsContact O-N 3.08Å; E46-K49 PolarHBondContact O-N 3.26Å; L47-K49 VanDerWaalsContact C-N 3.28Å; L47-K49 PolarHBondContact O-N 3.44Å; K49-V51 PolarHBondContact O-N 3.26Å; K49-Q52 PolarHBondContact O-N 3.08Å
50	G	98.1	Very high	98.4	Very high	10 Å²	10	43 Å²	43	10%	0.103	23%	0.233	C	C	.	.	H	α-helix	trans	-62.5	-41	-176.6	0	0	0	0	0	112.8	K9 E46 L47 Q52	K9-G50 PolarHBondContact NZ-O 2.75Å; E46-G50 PolarHBondContact O-N 3.09Å; L47-G50 PolarHBondContact O-N 2.97Å; L47-G50 VanDerWaalsContact O-N 3.16Å; G50-Q52 VanDerWaalsContact C-N 3.31Å; G50-Q52 PolarHBondContact O-N 2.64Å
51	V	98.6	Very high	98.4	Very high	1 Å²	1	39.4 Å²	39.4	1%	0.006	22%	0.218	C	C	.	.	H	α-helix	trans	-74.2	-15.4	-178	-61.1	0	0	0	0	114.3	F11 L47 L48 K49 G53 A54 L57 V69 A72 A73	F11-V51 HydrophobicContact CD1-CG1 3.84Å; L47-V51 HydrophobicContact CD1-CG1 3.87Å; L47-V51 WeakPolarHBondContact O-CG1 3.5Å; L47-V51 WeakPolarHBondContact O-CG2 3.27Å; L47-V51 PolarHBondContact O-N 3.4Å; L48-V51 WeakPolarHBondContact O-CG2 3.32Å; K49-V51 PolarHBondContact O-N 3.26Å; V51-G53 PolarHBondContact O-N 3.37Å; V51-G53 VanDerWaalsContact O-N 3.11Å; V51-A54 WeakPolarHBondContact O-CB 3.38Å; V51-A54 PolarHBondContact O-N 3.46Å; V51-L57 HydrophobicContact CG1-CD1 4Å; V51-L57 HydrophobicContact CG1-CD2 4.3Å; V51-V69 HydrophobicContact CG1-CG1 4.13Å; V51-V69 HydrophobicContact CG2-CG1 4.15Å; V51-A72 HydrophobicContact CG2-CB 3.96Å; V51-A73 HydrophobicContact CB-CB 3.97Å; V51-A73 HydrophobicContact CG2-CB 4.02Å; V51-A73 VanDerWaalsContact O-CA 3.31Å; V51-A73 WeakPolarHBondContact O-CA 3.36Å
52	Q	98.6	Very high	98.4	Very high	112 Å²	112	39.3 Å²	39.3	52%	0.523	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.5	118.3	-176.1	-74.6	176.7	-6.2	0	0	112.6	K9 L48 K49 G50 A54 A72	K9-Q52 PolarHBondContact NZ-O 3.2Å; L48-Q52 WeakPolarHBondContact O-CG 3.48Å; K49-Q52 PolarHBondContact O-N 3.08Å; G50-Q52 VanDerWaalsContact C-N 3.31Å; G50-Q52 PolarHBondContact O-N 2.64Å; Q52-A54 PolarHBondContact O-N 2.9Å; Q52-A72 WeakPolarHBondContact CA-O 3.41Å; Q52-A72 WeakPolarHBondContact CG-O 3.48Å
53	G	98	Very high	98.4	Very high	30 Å²	30	39.1 Å²	39.1	31%	0.309	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	69.9	9.8	-179.2	0	0	0	0	0	114.8	V51 A73 N76	V51-G53 PolarHBondContact O-N 3.37Å; V51-G53 VanDerWaalsContact O-N 3.11Å; G53-A73 WeakPolarHBondContact CA-O 3.27Å; G53-A73 PolarHBondContact N-O 2.85Å; G53-N76 PolarHBondContact O-ND2 3.14Å
54	A	98.6	Very high	98.4	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	23%	0.226	C	C	.	.			trans	-65.3	142.2	176.1	0	0	0	0	0	110.8	V51 Q52 N76 L77	V51-A54 WeakPolarHBondContact O-CB 3.38Å; V51-A54 PolarHBondContact O-N 3.46Å; Q52-A54 PolarHBondContact O-N 2.9Å; A54-N76 CarbonylContact O-C 3.59Å; A54-L77 VanDerWaalsContact O-CA 3.27Å; A54-L77 WeakPolarHBondContact O-CA 3.46Å; A54-L77 PolarHBondContact O-N 2.9Å; A54-L77 VanDerWaalsContact O-N 3.14Å
55	H	98.7	Very high	98.5	Very high	46 Å²	46	39 Å²	39	21%	0.213	21%	0.213	C	C	.	.	S	Bend	trans	-92	-29.8	172.4	-62	77	0	0	0	111.4	M8 K9 N76 K78 V79 L318	M8-H55 HydrophobicContact CB-CB 3.93Å; M8-H55 HydrophobicContact CG-CB 4.43Å; K9-H55 PolarHBondContact N-ND1 2.83Å; K9-H55 WeakPolarHBondContact O-CA 3.31Å; K9-H55 WeakPolarHBondContact O-CB 3.49Å; K9-H55 PolarHBondContact O-N 2.91Å; H55-N76 WeakPolarHBondContact CA-O 3.29Å; H55-K78 WeakPolarHBondContact O-CG 3.22Å; H55-K78 PolarHBondContact O-N 2.78Å; H55-V79 PolarHBondContact O-N 2.96Å; H55-L318 HydrophobicContact CB-CD2 3.7Å
56	G	98.7	Very high	98.5	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	144.3	177.6	0	0	0	0	0	111.7	K9 V10 F11 V79	K9-G56 PolarHBondContact O-N 3.23Å; V10-G56 WeakPolarHBondContact CA-O 3.38Å; F11-G56 PolarHBondContact N-O 3.23Å; G56-V79 WeakPolarHBondContact CA-O 3.23Å
57	L	98.9	Very high	98.5	Very high	1 Å²	1	35.5 Å²	35.5	1%	0.005	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	123.4	174.8	173.1	58.8	0	0	0	109.2	F11 T13 V51 C59 I65 V69 L77 V79 I80 S81	F11-L57 HydrophobicContact CB-CD1 4.36Å; F11-L57 HydrophobicContact CD1-CD1 3.93Å; F11-L57 WeakPolarHBondContact O-CA 3.43Å; T13-L57 HydrophobicContact CG2-CD1 3.87Å; V51-L57 HydrophobicContact CG1-CD1 4Å; V51-L57 HydrophobicContact CG1-CD2 4.3Å; L57-C59 HydrophobicContact CG-CB 4.27Å; L57-I65 HydrophobicContact CD2-CD1 3.95Å; L57-I65 HydrophobicContact CD2-CG1 4.37Å; L57-I65 HydrophobicContact CD2-CG2 4.21Å; L57-V69 HydrophobicContact CD2-CG1 4.48Å; L57-L77 HydrophobicContact CB-CD1 4.12Å; L57-V79 PolarHBondContact N-O 3.33Å; L57-I80 HydrophobicContact CB-CG1 4.27Å; L57-I80 HydrophobicContact CD2-CG1 4.44Å; L57-I80 CarbonylContact O-C 3.54Å; L57-I80 WeakPolarHBondContact O-CA 3.43Å; L57-S81 PolarHBondContact O-N 2.74Å
58	L	98.9	Very high	98.5	Very high	1 Å²	1	40.3 Å²	40.3	1%	0.005	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	117.6	164.6	-165.6	159.3	0	0	0	108.3	F11 I12 T13 I16 S81 T310 V311 L314	F11-L58 PolarHBondContact O-N 3.49Å; I12-L58 HydrophobicContact CB-CB 4.43Å; I12-L58 HydrophobicContact CG1-CB 4.08Å; I12-L58 HydrophobicContact CG2-CB 4.26Å; I12-L58 HydrophobicContact CG2-CD2 4.11Å; T13-L58 PolarHBondContact N-O 3.28Å; T13-L58 PolarHBondContact OG1-O 3.12Å; I16-L58 HydrophobicContact CD1-CD1 4.15Å; I16-L58 HydrophobicContact CG2-CD2 4.02Å; L58-S81 VanDerWaalsContact CA-O 3.31Å; L58-S81 WeakPolarHBondContact CA-O 3.28Å; L58-T310 HydrophobicContact CD1-CG2 3.75Å; L58-T310 HydrophobicContact CD2-CG2 4Å; L58-T310 HydrophobicContact CG-CG2 3.59Å; L58-V311 HydrophobicContact CD1-CG2 3.86Å; L58-L314 HydrophobicContact CB-CD2 4.4Å
59	C	98.9	Very high	98.5	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	167.1	-177.5	62.5	0	0	0	0	112.4	T13 L57 D63 I65 S81 T82 M83	T13-C59 HydrophobicContact CG2-CB 4.09Å; T13-C59 WeakPolarHBondContact OG1-CA 3.33Å; L57-C59 HydrophobicContact CG-CB 4.27Å; C59-D63 HydrophobicContact CB-CB 4.26Å; C59-I65 HydrophobicContact CB-CD1 4.14Å; C59-I65 HydrophobicContact CB-CG1 4.25Å; C59-S81 PolarHBondContact N-O 2.83Å; C59-T82 WeakPolarHBondContact O-CA 3.48Å; C59-M83 PolarHBondContact O-N 2.9Å
60	L	98.7	Very high	98.5	Very high	33 Å²	33	32.8 Å²	32.8	17%	0.173	18%	0.18	C	C	.	.			trans	-111.7	166.2	174.4	-53.9	-173.3	0	0	0	110	R14 S62 D63 M83 H89	R14-L60 HydrophobicContact CB-CD1 3.64Å; R14-L60 HydrophobicContact CB-CG 4.32Å; R14-L60 HydrophobicContact CG-CD1 3.92Å; L60-S62 PolarHBondContact O-N 2.96Å; L60-D63 PolarHBondContact N-OD2 3.12Å; L60-D63 PolarHBondContact O-N 2.9Å; L60-M83 HydrophobicContact CD2-CB 3.68Å; L60-M83 HydrophobicContact CD2-CG 4.48Å; L60-M83 HydrophobicContact CD2-SD 4.21Å; L60-H89 PolarHBondContact O-CD2 3.05Å; L60-H89 PolarHBondContact O-NE2 3.38Å
61	L	98	Very high	98.5	Very high	55 Å²	55	37 Å²	37	29%	0.288	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.5	-19.9	179.5	66.3	86.4	0	0	0	114.8	H89	L61-H89 WeakPolarHBondContact O-CB 3.21Å
62	S	97.3	Very high	98.5	Very high	74 Å²	74	38.3 Å²	38.3	52%	0.517	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.4	-10.6	179.6	50.2	0	0	0	0	113.4	L60	L60-S62 PolarHBondContact O-N 2.96Å
63	D	98.2	Very high	98.5	Very high	7 Å²	7	33.1 Å²	33.1	4%	0.037	19%	0.187	C	C	.	.	S	Bend	trans	-87.8	113.7	177.7	-52.5	-50.9	0	0	0	109.4	T13 R14 C59 L60 I65 H89	T13-D63 WeakPolarHBondContact CB-OD2 3.39Å; T13-D63 PolarHBondContact OG1-OD2 2.8Å; R14-D63 IonicContact NH2-OD1 3.32Å; R14-D63 PolarHBondContact NH2-OD1 3.43Å; C59-D63 HydrophobicContact CB-CB 4.26Å; L60-D63 PolarHBondContact N-OD2 3.12Å; L60-D63 PolarHBondContact O-N 2.9Å; D63-I65 HydrophobicContact CB-CD1 3.87Å; D63-I65 PolarHBondContact O-N 2.87Å; D63-I65 VanDerWaalsContact O-N 3.12Å; D63-H89 PolarHBondContact O-CD2 2.79Å; D63-H89 VanDerWaalsContact O-CD2 3.29Å
64	K	98	Very high	98.5	Very high	138 Å²	138	32.8 Å²	32.8	60%	0.6	18%	0.184	S	C	*	.			trans	-74.7	102.9	176	-175.6	179.1	176.4	-177.2	0	110.8	R44 D66	R44-K64 PolarHBondContact NH1-O 2.86Å; K64-D66 WeakPolarHBondContact CE-OD2 3.07Å; K64-D66 HydrophobicContact CG-CB 4.37Å; K64-D66 IonicContact NZ-OD2 2.68Å; K64-D66 PolarHBondContact O-N 2.88Å
65	I	98.7	Very high	98.5	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	23%	0.226	C	C	.	.	B	Isolated β-bridge	trans	-95.4	82.4	179.3	-46.9	-51.3	0	0	0	109.2	L47 L57 C59 D63 V69 L70 I80 H89 L90 A91	L47-I65 HydrophobicContact CD2-CD1 4.3Å; L57-I65 HydrophobicContact CD2-CD1 3.95Å; L57-I65 HydrophobicContact CD2-CG1 4.37Å; L57-I65 HydrophobicContact CD2-CG2 4.21Å; C59-I65 HydrophobicContact CB-CD1 4.14Å; C59-I65 HydrophobicContact CB-CG1 4.25Å; D63-I65 HydrophobicContact CB-CD1 3.87Å; D63-I65 PolarHBondContact O-N 2.87Å; D63-I65 VanDerWaalsContact O-N 3.12Å; I65-V69 HydrophobicContact CD1-CG1 4.33Å; I65-V69 HydrophobicContact CG2-CB 4.38Å; I65-V69 HydrophobicContact CG2-CG1 4.16Å; I65-L70 HydrophobicContact CG2-CD2 4.12Å; I65-I80 HydrophobicContact CG2-CD1 4.16Å; I65-H89 PolarHBondContact N-O 3.29Å; I65-L90 HydrophobicContact CB-CD2 3.63Å; I65-L90 HydrophobicContact CG1-CD2 3.58Å; I65-L90 HydrophobicContact CG2-CD2 4.39Å; I65-A91 PolarHBondContact O-N 3.41Å
66	D	98.6	Very high	98.5	Very high	35 Å²	35	40.7 Å²	40.7	19%	0.187	24%	0.235	C	C	.	.			trans	-101.5	-175.8	178.8	59.4	21.7	0	0	0	112.3	R44 K64 E68 V69 L70	R44-D66 IonicContact CZ-OD1 3.19Å; R44-D66 IonicContact CZ-OD2 2.74Å; R44-D66 IonicContact NH1-OD1 2.79Å; R44-D66 IonicContact NH1-OD2 2.89Å; R44-D66 IonicContact NH2-OD1 2.69Å; R44-D66 PolarHBondContact NH2-OD1 3.28Å; R44-D66 IonicContact NH2-OD2 3.14Å; R44-D66 PolarHBondContact NH2-OD2 3.44Å; K64-D66 WeakPolarHBondContact CE-OD2 3.07Å; K64-D66 HydrophobicContact CG-CB 4.37Å; K64-D66 IonicContact NZ-OD2 2.68Å; K64-D66 PolarHBondContact O-N 2.88Å; D66-E68 PolarHBondContact O-N 3.16Å; D66-E68 PolarHBondContact OD1-N 3.07Å; D66-V69 PolarHBondContact O-N 2.86Å; D66-V69 VanDerWaalsContact O-N 3.12Å; D66-V69 PolarHBondContact OD1-N 3.07Å; D66-L70 WeakPolarHBondContact O-CG 3.33Å; D66-L70 PolarHBondContact O-N 3.01Å; D66-L70 VanDerWaalsContact O-N 3.14Å
67	A	98.4	Very high	98.5	Very high	38 Å²	38	41.2 Å²	41.2	31%	0.314	24%	0.238	S	C	.	.	H	α-helix	trans	-54.2	-36.7	-177.9	0	0	0	0	0	113.5	V69 L70 D71 E94	A67-V69 PolarHBondContact O-N 2.8Å; A67-L70 PolarHBondContact O-N 3.29Å; A67-D71 WeakPolarHBondContact O-CB 3.37Å; A67-D71 PolarHBondContact O-N 3.27Å; A67-E94 HydrophobicContact CB-CG 4.27Å
68	E	98.7	Very high	98.4	Very high	105 Å²	105	44.5 Å²	44.5	49%	0.491	25%	0.253	S	S	.	.	H	α-helix	trans	-65.9	-40.2	-179.8	-175.6	-169.6	-148.3	0	0	111.3	R44 L48 D66 L70 D71 A72	R44-E68 IonicContact CZ-OE2 3.42Å; R44-E68 IonicContact NE-OE2 3.53Å; R44-E68 PolarHBondContact NE-OE2 2.95Å; R44-E68 VanDerWaalsContact NE-OE2 3.14Å; R44-E68 IonicContact NH2-OE2 3.83Å; R44-E68 PolarHBondContact NH2-OE2 3.49Å; L48-E68 HydrophobicContact CD1-CG 4.28Å; L48-E68 HydrophobicContact CD2-CG 3.84Å; D66-E68 PolarHBondContact O-N 3.16Å; D66-E68 PolarHBondContact OD1-N 3.07Å; E68-L70 VanDerWaalsContact C-N 3.34Å; E68-D71 PolarHBondContact O-N 3.32Å; E68-A72 WeakPolarHBondContact O-CB 3.39Å; E68-A72 PolarHBondContact O-N 2.84Å
69	V	98.8	Very high	98.4	Very high	1 Å²	1	44.5 Å²	44.5	1%	0.006	25%	0.252	C	S	.	.	H	α-helix	trans	-65	-41.6	174.1	-179.6	0	0	0	0	110.9	L47 L48 V51 L57 I65 D66 A67 D71 A72 A73	L47-V69 HydrophobicContact CD2-CG1 4.48Å; L47-V69 HydrophobicContact CD2-CG2 3.85Å; L47-V69 HydrophobicContact CG-CG1 4.4Å; L47-V69 HydrophobicContact CG-CG2 4.33Å; L48-V69 HydrophobicContact CD2-CG2 4.04Å; V51-V69 HydrophobicContact CG1-CG1 4.13Å; V51-V69 HydrophobicContact CG2-CG1 4.15Å; L57-V69 HydrophobicContact CD2-CG1 4.48Å; I65-V69 HydrophobicContact CD1-CG1 4.33Å; I65-V69 HydrophobicContact CG2-CB 4.38Å; I65-V69 HydrophobicContact CG2-CG1 4.16Å; D66-V69 PolarHBondContact O-N 2.86Å; D66-V69 VanDerWaalsContact O-N 3.12Å; D66-V69 PolarHBondContact OD1-N 3.07Å; A67-V69 PolarHBondContact O-N 2.8Å; V69-D71 VanDerWaalsContact C-N 3.34Å; V69-A72 PolarHBondContact O-N 3.06Å; V69-A73 WeakPolarHBondContact O-CB 3.08Å; V69-A73 PolarHBondContact O-N 3.24Å
70	L	98.8	Very high	98.4	Very high	1 Å²	1	44.5 Å²	44.5	1%	0.005	25%	0.252	C	S	.	.	H	α-helix	trans	-66.3	-36.6	178.9	-59.2	173.8	0	0	0	111.9	I65 D66 A67 E68 G74 L77 I80 E94 I95 R98 I100	I65-L70 HydrophobicContact CG2-CD2 4.12Å; D66-L70 WeakPolarHBondContact O-CG 3.33Å; D66-L70 PolarHBondContact O-N 3.01Å; D66-L70 VanDerWaalsContact O-N 3.14Å; A67-L70 PolarHBondContact O-N 3.29Å; E68-L70 VanDerWaalsContact C-N 3.34Å; L70-G74 PolarHBondContact O-N 3.01Å; L70-L77 HydrophobicContact CD2-CD2 3.96Å; L70-I80 HydrophobicContact CD2-CD1 3.75Å; L70-E94 HydrophobicContact CD1-CB 3.62Å; L70-I95 HydrophobicContact CD1-CG1 3.83Å; L70-I95 HydrophobicContact CD2-CG1 4.04Å; L70-R98 VanDerWaalsContact C-NH1 3.29Å; L70-R98 PolarHBondContact O-NH1 2.8Å; L70-I100 HydrophobicContact CD2-CD1 4.11Å
71	D	98.8	Very high	98.4	Very high	99 Å²	99	42.9 Å²	42.9	53%	0.529	24%	0.244	S	C	.	.	H	α-helix	trans	-69.3	-44.8	175.1	-72	-19.3	0	0	0	111.5	A67 E68 V69 A73 G74 R98	A67-D71 WeakPolarHBondContact O-CB 3.37Å; A67-D71 PolarHBondContact O-N 3.27Å; E68-D71 PolarHBondContact O-N 3.32Å; V69-D71 VanDerWaalsContact C-N 3.34Å; D71-A73 VanDerWaalsContact C-N 3.28Å; D71-A73 PolarHBondContact O-N 3.37Å; D71-G74 PolarHBondContact O-N 2.69Å; D71-R98 IonicContact OD1-CZ 3.84Å; D71-R98 IonicContact OD1-NH1 3.61Å; D71-R98 PolarHBondContact OD1-NH1 2.93Å; D71-R98 IonicContact OD1-NH2 2.78Å; D71-R98 PolarHBondContact OD1-NH2 3.48Å
72	A	98.7	Very high	98.5	Very high	29 Å²	29	40.3 Å²	40.3	24%	0.24	23%	0.23	C	C	.	.	H	α-helix	trans	-61.6	-37.7	175.7	0	0	0	0	0	111.9	L48 V51 Q52 E68 V69 G74	L48-A72 HydrophobicContact CB-CB 4.28Å; L48-A72 HydrophobicContact CD2-CB 3.81Å; V51-A72 HydrophobicContact CG2-CB 3.96Å; Q52-A72 WeakPolarHBondContact CA-O 3.41Å; Q52-A72 WeakPolarHBondContact CG-O 3.48Å; E68-A72 WeakPolarHBondContact O-CB 3.39Å; E68-A72 PolarHBondContact O-N 2.84Å; V69-A72 PolarHBondContact O-N 3.06Å; A72-G74 VanDerWaalsContact C-N 3.33Å
73	A	98.7	Very high	98.6	Very high	2 Å²	2	37.7 Å²	37.7	2%	0.017	21%	0.21	C	C	.	.	H	α-helix	trans	-64.2	-39.7	176.2	0	0	0	0	0	112.3	V51 G53 V69 D71 L77	V51-A73 HydrophobicContact CB-CB 3.97Å; V51-A73 HydrophobicContact CG2-CB 4.02Å; V51-A73 VanDerWaalsContact O-CA 3.31Å; V51-A73 WeakPolarHBondContact O-CA 3.36Å; G53-A73 WeakPolarHBondContact CA-O 3.27Å; G53-A73 PolarHBondContact N-O 2.85Å; V69-A73 WeakPolarHBondContact O-CB 3.08Å; V69-A73 PolarHBondContact O-N 3.24Å; D71-A73 VanDerWaalsContact C-N 3.28Å; D71-A73 PolarHBondContact O-N 3.37Å; A73-L77 HydrophobicContact CB-CB 4.08Å; A73-L77 HydrophobicContact CB-CD2 3.73Å; A73-L77 HydrophobicContact CB-CG 4.38Å
74	G	98.2	Very high	98.5	Very high	23 Å²	23	37.5 Å²	37.5	24%	0.237	21%	0.209	C	C	.	.			trans	79.4	-170.7	178.2	0	0	0	0	0	113.7	L70 D71 A72 N76 L77	L70-G74 PolarHBondContact O-N 3.01Å; D71-G74 PolarHBondContact O-N 2.69Å; A72-G74 VanDerWaalsContact C-N 3.33Å; G74-N76 PolarHBondContact O-N 3.48Å; G74-N76 VanDerWaalsContact O-N 3.13Å; G74-L77 PolarHBondContact O-N 3.46Å
75	P	97.8	Very high	98.5	Very high	136 Å²	136	33.1 Å²	33.1	88%	0.883	19%	0.194	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72.6	-8	-166.7	29.6	-37.1	0	0	0	114.9	L77	P75-L77 VanDerWaalsContact C-N 3.34Å
76	N	98.1	Very high	98.3	Very high	76 Å²	76	33.8 Å²	33.8	41%	0.406	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.2	-23.2	179.7	-68.5	-12.2	0	0	0	112.6	G53 A54 H55 G74 K78	G53-N76 PolarHBondContact O-ND2 3.14Å; A54-N76 CarbonylContact O-C 3.59Å; H55-N76 WeakPolarHBondContact CA-O 3.29Å; G74-N76 PolarHBondContact O-N 3.48Å; G74-N76 VanDerWaalsContact O-N 3.13Å; N76-K78 PolarHBondContact O-N 2.86Å
77	L	98.8	Very high	98.2	Very high	12 Å²	12	35.1 Å²	35.1	6%	0.063	21%	0.206	C	C	.	.			trans	-65.8	122.5	-174.9	-172.7	64.7	0	0	0	109.5	A54 L57 L70 A73 G74 P75 I80 I100	A54-L77 VanDerWaalsContact O-CA 3.27Å; A54-L77 WeakPolarHBondContact O-CA 3.46Å; A54-L77 PolarHBondContact O-N 2.9Å; A54-L77 VanDerWaalsContact O-N 3.14Å; L57-L77 HydrophobicContact CB-CD1 4.12Å; L70-L77 HydrophobicContact CD2-CD2 3.96Å; A73-L77 HydrophobicContact CB-CB 4.08Å; A73-L77 HydrophobicContact CB-CD2 3.73Å; A73-L77 HydrophobicContact CB-CG 4.38Å; G74-L77 PolarHBondContact O-N 3.46Å; P75-L77 VanDerWaalsContact C-N 3.34Å; L77-I80 HydrophobicContact CD2-CD1 4.18Å; L77-I80 HydrophobicContact CD2-CG1 4.17Å; L77-I100 HydrophobicContact CB-CD1 4.38Å; L77-I100 HydrophobicContact CD2-CD1 3.9Å; L77-I100 HydrophobicContact CG-CD1 4.1Å; L77-I100 WeakPolarHBondContact O-CG1 3.45Å
78	K	98.3	Very high	98.1	Very high	70 Å²	70	36.6 Å²	36.6	30%	0.304	21%	0.208	S	C	.	.			trans	-127.4	-18.3	-177.3	52.7	173.3	153	-175	0	114.1	M8 H55 N76 R101 L318	M8-K78 PolarHBondContact SD-NZ 3.48Å; H55-K78 WeakPolarHBondContact O-CG 3.22Å; H55-K78 PolarHBondContact O-N 2.78Å; N76-K78 PolarHBondContact O-N 2.86Å; K78-R101 PolarHBondContact O-N 3.06Å; K78-L318 WeakPolarHBondContact CE-O 3.36Å; K78-L318 HydrophobicContact CG-CD2 4.48Å; K78-L318 PolarHBondContact NZ-O 3.08Å
79	V	98.8	Very high	98	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	135.7	177.4	57.9	0	0	0	0	111.4	H55 G56 L57 R101 L314 L318 M323	H55-V79 PolarHBondContact O-N 2.96Å; G56-V79 WeakPolarHBondContact CA-O 3.23Å; L57-V79 PolarHBondContact N-O 3.33Å; V79-R101 CarbonylContact C-O 3.41Å; V79-R101 WeakPolarHBondContact CA-O 3.26Å; V79-L314 HydrophobicContact CG1-CD1 3.89Å; V79-L318 HydrophobicContact CG1-CD2 3.88Å; V79-L318 HydrophobicContact CG1-CG 3.8Å; V79-M323 HydrophobicContact CG2-SD 3.97Å
80	I	98.9	Very high	98	Very high	0 Å²	0	33 Å²	33	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	124.5	166.3	-63.3	163.6	0	0	0	106.8	L57 I65 L70 L77 L90 I95 I100 R101 V102 G103	L57-I80 HydrophobicContact CB-CG1 4.27Å; L57-I80 HydrophobicContact CD2-CG1 4.44Å; L57-I80 CarbonylContact O-C 3.54Å; L57-I80 WeakPolarHBondContact O-CA 3.43Å; I65-I80 HydrophobicContact CG2-CD1 4.16Å; L70-I80 HydrophobicContact CD2-CD1 3.75Å; L77-I80 HydrophobicContact CD2-CD1 4.18Å; L77-I80 HydrophobicContact CD2-CG1 4.17Å; I80-L90 HydrophobicContact CG2-CD2 4.3Å; I80-I95 HydrophobicContact CD1-CD1 3.75Å; I80-I95 HydrophobicContact CD1-CG1 3.93Å; I80-I100 HydrophobicContact CB-CG2 4.49Å; I80-I100 HydrophobicContact CD1-CG2 3.83Å; I80-I100 HydrophobicContact CG1-CG2 3.84Å; I80-R101 PolarHBondContact N-O 3.46Å; I80-V102 CarbonylContact O-C 3.57Å; I80-V102 VanDerWaalsContact O-CA 3.27Å; I80-V102 WeakPolarHBondContact O-CA 3.35Å; I80-G103 PolarHBondContact O-N 2.56Å
81	S	98.8	Very high	98	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	113.8	176.3	-162.2	0	0	0	0	109	L57 L58 C59 G103 T310 N313	L57-S81 PolarHBondContact O-N 2.74Å; L58-S81 VanDerWaalsContact CA-O 3.31Å; L58-S81 WeakPolarHBondContact CA-O 3.28Å; C59-S81 PolarHBondContact N-O 2.83Å; S81-G103 WeakPolarHBondContact CA-O 3.08Å; S81-T310 WeakPolarHBondContact CB-O 3.46Å; S81-T310 VanDerWaalsContact OG-CG2 3.26Å; S81-T310 WeakPolarHBondContact OG-CG2 3.21Å; S81-T310 PolarHBondContact OG-O 3.3Å; S81-N313 WeakPolarHBondContact OG-CB 3.47Å
82	T	98.9	Very high	98	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	131.6	178.8	-172.6	0	0	0	0	110.6	C59 S84 H89 L90 G103	C59-T82 WeakPolarHBondContact O-CA 3.48Å; T82-S84 WeakPolarHBondContact CG2-OG 3.4Å; T82-S84 PolarHBondContact O-N 2.74Å; T82-S84 PolarHBondContact OG1-OG 2.87Å; T82-H89 PolarHBondContact OG1-CE1 3.24Å; T82-H89 VanDerWaalsContact OG1-CE1 3.29Å; T82-H89 PolarHBondContact OG1-NE2 2.88Å; T82-L90 HydrophobicContact CG2-CD1 4.22Å; T82-G103 WeakPolarHBondContact CG2-O 3.27Å; T82-G103 PolarHBondContact N-O 3.47Å
83	M	98.8	Very high	97.9	Very high	19 Å²	19	37.1 Å²	37.1	9%	0.094	21%	0.214	C	C	.	.	S	Bend	trans	-81.5	57.9	173.3	-166.4	-176.2	161.8	0	0	110.5	P17 C59 L60 R303 M306 T310	P17-M83 HydrophobicContact CG-CE 3.96Å; C59-M83 PolarHBondContact O-N 2.9Å; L60-M83 HydrophobicContact CD2-CB 3.68Å; L60-M83 HydrophobicContact CD2-CG 4.48Å; L60-M83 HydrophobicContact CD2-SD 4.21Å; M83-R303 HydrophobicContact CE-CB 4.39Å; M83-R303 WeakPolarHBondContact CE-O 3.5Å; M83-M306 HydrophobicContact CE-CB 3.64Å; M83-M306 HydrophobicContact CE-CE 4.5Å; M83-M306 HydrophobicContact CG-CB 4Å; M83-M306 HydrophobicContact CG-CE 4.14Å; M83-M306 WeakPolarHBondContact O-CE 3.18Å; M83-T310 WeakPolarHBondContact CA-OG1 3.38Å; M83-T310 HydrophobicContact CB-CG2 4.05Å; M83-T310 WeakPolarHBondContact CB-OG1 3.5Å; M83-T310 WeakPolarHBondContact CG-OG1 3.23Å
84	S	98.1	Very high	97.9	Very high	3 Å²	3	39.8 Å²	39.8	2%	0.021	23%	0.226	C	C	.	.	S	Bend	trans	-160	158.2	-178.4	63.2	0	0	0	0	111.5	T82 G86 H89 Y104 T105	T82-S84 WeakPolarHBondContact CG2-OG 3.4Å; T82-S84 PolarHBondContact O-N 2.74Å; T82-S84 PolarHBondContact OG1-OG 2.87Å; S84-G86 WeakPolarHBondContact CB-O 3.44Å; S84-G86 PolarHBondContact OG-O 3Å; S84-H89 PolarHBondContact OG-CE1 3.48Å; S84-Y104 WeakPolarHBondContact O-CB 3.49Å; S84-T105 WeakPolarHBondContact CA-OG1 3.46Å; S84-T105 PolarHBondContact N-OG1 3.27Å; S84-T105 PolarHBondContact O-N 2.72Å; S84-T105 PolarHBondContact O-OG1 3.2Å
85	V	96.3	Very high	97.9	Very high	47 Å²	47	38.7 Å²	38.7	29%	0.285	21%	0.214	S	C	.	.	S	Bend	trans	-86.7	-37.7	169.2	69.2	0	0	0	0	112.4	F87 Y104 P106 L109 I166	V85-F87 WeakPolarHBondContact O-CD1 3.45Å; V85-Y104 HydrophobicContact CG2-CD2 4.35Å; V85-Y104 HydrophobicContact CG2-CE2 4.3Å; V85-P106 HydrophobicContact CG2-CB 4.35Å; V85-L109 HydrophobicContact CB-CD1 4.31Å; V85-L109 HydrophobicContact CB-CD2 4.1Å; V85-L109 HydrophobicContact CG1-CD1 3.88Å; V85-L109 HydrophobicContact CG1-CD2 4.19Å; V85-I166 HydrophobicContact CG1-CD1 4.46Å
86	G	94.4	Very high	97.9	Very high	14 Å²	14	37.6 Å²	37.6	14%	0.144	20%	0.196	C	C	.	.			trans	-76.6	144.5	172	0	0	0	0	0	110	S84 H89	S84-G86 WeakPolarHBondContact CB-O 3.44Å; S84-G86 PolarHBondContact OG-O 3Å; G86-H89 PolarHBondContact O-CE1 2.87Å; G86-H89 VanDerWaalsContact O-CE1 3.25Å
87	F	96.3	Very high	97.9	Very high	63 Å²	63	41.8 Å²	41.8	28%	0.276	21%	0.21	S	C	.	.			trans	-135	17.2	-171.7	48.6	-106.6	0	0	0	112	V85 H89 L90 L92 Y104 L327	V85-F87 WeakPolarHBondContact O-CD1 3.45Å; F87-H89 PolarHBondContact O-N 2.81Å; F87-L90 HydrophobicContact CB-CD1 4.13Å; F87-L90 HydrophobicContact CB-CG 4.45Å; F87-L90 WeakPolarHBondContact O-CB 3.39Å; F87-L90 PolarHBondContact O-N 3.29Å; F87-L90 VanDerWaalsContact O-N 3.07Å; F87-L92 HydrophobicContact CD2-CD1 3.65Å; F87-L92 HydrophobicContact CD2-CG 4.48Å; F87-L92 HydrophobicContact CE2-CD1 3.81Å; F87-Y104 HydrophobicContact CD1-CD2 4.4Å; F87-L327 HydrophobicContact CB-CD2 4.43Å; F87-L327 HydrophobicContact CD1-CD1 4.32Å; F87-L327 HydrophobicContact CD1-CD2 4Å; F87-L327 HydrophobicContact CD2-CD2 4.26Å; F87-L327 HydrophobicContact CE1-CD1 3.94Å; F87-L327 HydrophobicContact CE1-CD2 4.31Å; F87-L327 HydrophobicContact CG-CD2 3.97Å; F87-L327 HydrophobicContact CZ-CD1 4.28Å
88	D	96.7	Very high	97.9	Very high	69 Å²	69	45.4 Å²	45.4	37%	0.369	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.9	-18.8	177	51.1	-68.4	0	0	0	113.4	L90 L219 R246	D88-L90 VanDerWaalsContact C-N 3.28Å; D88-L90 PolarHBondContact O-N 3.36Å; D88-L219 HydrophobicContact CB-CB 4.25Å; D88-L219 HydrophobicContact CB-CD2 4.21Å; D88-R246 IonicContact OD1-CZ 3.02Å; D88-R246 IonicContact OD1-NE 3.75Å; D88-R246 PolarHBondContact OD1-NE 3.32Å; D88-R246 IonicContact OD1-NH2 3.75Å; D88-R246 PolarHBondContact OD1-NH2 3.15Å; D88-R246 VanDerWaalsContact OD1-NH2 3.12Å; D88-R246 IonicContact OD2-NE 3.98Å; D88-R246 PolarHBondContact OD2-NE 2.88Å
89	H	98.2	Very high	97.9	Very high	18 Å²	18	45 Å²	45	8%	0.083	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.7	-4.6	173.7	62	-66.1	0	0	0	114	L60 L61 D63 I65 T82 S84 G86 F87	L60-H89 PolarHBondContact O-CD2 3.05Å; L60-H89 PolarHBondContact O-NE2 3.38Å; L61-H89 WeakPolarHBondContact O-CB 3.21Å; D63-H89 PolarHBondContact O-CD2 2.79Å; D63-H89 VanDerWaalsContact O-CD2 3.29Å; I65-H89 PolarHBondContact N-O 3.29Å; T82-H89 PolarHBondContact OG1-CE1 3.24Å; T82-H89 VanDerWaalsContact OG1-CE1 3.29Å; T82-H89 PolarHBondContact OG1-NE2 2.88Å; S84-H89 PolarHBondContact OG-CE1 3.48Å; G86-H89 PolarHBondContact O-CE1 2.87Å; G86-H89 VanDerWaalsContact O-CE1 3.25Å; F87-H89 PolarHBondContact O-N 2.81Å
90	L	98.7	Very high	97.9	Very high	11 Å²	11	45.3 Å²	45.3	6%	0.058	24%	0.24	C	C	.	.	B	Isolated β-bridge	trans	-105.4	130.1	-179.5	-52.9	-175.6	0	0	0	111	I65 I80 T82 F87 D88 L92 I95 V102	I65-L90 HydrophobicContact CB-CD2 3.63Å; I65-L90 HydrophobicContact CG1-CD2 3.58Å; I65-L90 HydrophobicContact CG2-CD2 4.39Å; I80-L90 HydrophobicContact CG2-CD2 4.3Å; T82-L90 HydrophobicContact CG2-CD1 4.22Å; F87-L90 HydrophobicContact CB-CD1 4.13Å; F87-L90 HydrophobicContact CB-CG 4.45Å; F87-L90 WeakPolarHBondContact O-CB 3.39Å; F87-L90 PolarHBondContact O-N 3.29Å; F87-L90 VanDerWaalsContact O-N 3.07Å; D88-L90 VanDerWaalsContact C-N 3.28Å; D88-L90 PolarHBondContact O-N 3.36Å; L90-L92 HydrophobicContact CB-CD2 3.78Å; L90-L92 HydrophobicContact CD1-CD2 4.36Å; L90-L92 PolarHBondContact O-N 3.21Å; L90-I95 HydrophobicContact CB-CD1 3.83Å; L90-V102 HydrophobicContact CD1-CG1 3.89Å
91	A	98.2	Very high	97.9	Very high	31 Å²	31	48 Å²	48	26%	0.256	25%	0.25	S	S	.	.			trans	-74.1	74.9	172.6	0	0	0	0	0	111.5	I65 D93 E94 I95	I65-A91 PolarHBondContact O-N 3.41Å; A91-D93 VanDerWaalsContact C-N 3.31Å; A91-D93 PolarHBondContact O-N 2.99Å; A91-E94 HydrophobicContact CB-CB 4.24Å; A91-E94 PolarHBondContact O-N 3.08Å; A91-E94 VanDerWaalsContact O-N 3.1Å; A91-I95 WeakPolarHBondContact O-CG1 3.45Å; A91-I95 PolarHBondContact O-N 3.42Å
92	L	97.9	Very high	97.9	Very high	45 Å²	45	48 Å²	48	24%	0.236	25%	0.251	C	S	.	.	H	α-helix	trans	-56.3	-38.5	-170.6	-63.5	-171.2	0	0	0	114.2	F87 L90 E94 I95 K96 L327 L329	F87-L92 HydrophobicContact CD2-CD1 3.65Å; F87-L92 HydrophobicContact CD2-CG 4.48Å; F87-L92 HydrophobicContact CE2-CD1 3.81Å; L90-L92 HydrophobicContact CB-CD2 3.78Å; L90-L92 HydrophobicContact CD1-CD2 4.36Å; L90-L92 PolarHBondContact O-N 3.21Å; L92-E94 PolarHBondContact O-N 2.81Å; L92-I95 HydrophobicContact CD2-CD1 4.41Å; L92-I95 PolarHBondContact O-N 3.4Å; L92-K96 VanDerWaalsContact O-CB 3.25Å; L92-K96 WeakPolarHBondContact O-CB 3.18Å; L92-K96 PolarHBondContact O-N 3.23Å; L92-L327 HydrophobicContact CD1-CD2 4.31Å; L92-L327 HydrophobicContact CD2-CD2 4.11Å; L92-L329 HydrophobicContact CB-CD2 4.31Å; L92-L329 HydrophobicContact CD1-CD2 4.25Å; L92-L329 HydrophobicContact CD2-CD2 3.86Å; L92-L329 HydrophobicContact CG-CD2 4.37Å
93	D	97.6	Very high	97.9	Very high	141 Å²	141	48 Å²	48	75%	0.754	25%	0.251	S	S	*	.	H	α-helix	trans	-63.8	-41.3	179	-68.8	-28.7	0	0	0	111.8	A91 K97	A91-D93 VanDerWaalsContact C-N 3.31Å; A91-D93 PolarHBondContact O-N 2.99Å; D93-K97 WeakPolarHBondContact O-CB 3.45Å; D93-K97 PolarHBondContact O-N 2.83Å
94	E	98.3	Very high	97.9	Very high	58 Å²	58	48.9 Å²	48.9	27%	0.271	25%	0.253	S	S	.	.	H	α-helix	trans	-70.4	-40.6	176.2	-76.3	-64.3	138.4	0	0	111.8	A67 L70 A91 L92 K97 R98	A67-E94 HydrophobicContact CB-CG 4.27Å; L70-E94 HydrophobicContact CD1-CB 3.62Å; A91-E94 HydrophobicContact CB-CB 4.24Å; A91-E94 PolarHBondContact O-N 3.08Å; A91-E94 VanDerWaalsContact O-N 3.1Å; L92-E94 PolarHBondContact O-N 2.81Å; E94-K97 PolarHBondContact O-N 2.97Å; E94-R98 VanDerWaalsContact O-CG 3.25Å; E94-R98 WeakPolarHBondContact O-CG 3.32Å; E94-R98 PolarHBondContact O-N 3.25Å; E94-R98 VanDerWaalsContact O-N 3.1Å; E94-R98 IonicContact OE2-CZ 3.71Å; E94-R98 IonicContact OE2-NE 3.62Å; E94-R98 IonicContact OE2-NH2 3.59Å; E94-R98 PolarHBondContact OE2-NH2 3.11Å
95	I	98.7	Very high	97.9	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-60.3	-47.1	175.4	-69.6	170.9	0	0	0	110.3	L70 I80 L90 A91 L92 R98 G99 I100 V102 L329	L70-I95 HydrophobicContact CD1-CG1 3.83Å; L70-I95 HydrophobicContact CD2-CG1 4.04Å; I80-I95 HydrophobicContact CD1-CD1 3.75Å; I80-I95 HydrophobicContact CD1-CG1 3.93Å; L90-I95 HydrophobicContact CB-CD1 3.83Å; A91-I95 WeakPolarHBondContact O-CG1 3.45Å; A91-I95 PolarHBondContact O-N 3.42Å; L92-I95 HydrophobicContact CD2-CD1 4.41Å; L92-I95 PolarHBondContact O-N 3.4Å; I95-R98 PolarHBondContact O-N 2.97Å; I95-G99 PolarHBondContact O-N 3.4Å; I95-I100 HydrophobicContact CG2-CB 3.78Å; I95-I100 HydrophobicContact CG2-CG2 4Å; I95-I100 WeakPolarHBondContact CG2-O 3.46Å; I95-I100 PolarHBondContact O-N 2.89Å; I95-I100 VanDerWaalsContact O-N 3.1Å; I95-V102 HydrophobicContact CD1-CG2 4.46Å; I95-V102 HydrophobicContact CG2-CG2 3.52Å; I95-L329 HydrophobicContact CB-CD1 4.4Å; I95-L329 HydrophobicContact CG2-CD1 3.6Å
96	K	98.3	Very high	97.9	Very high	113 Å²	113	46.7 Å²	46.7	49%	0.491	24%	0.24	S	C	.	.	H	α-helix	trans	-61.5	-47	178	-176.6	177.3	-174.3	164.6	0	111.5	L92 R98 G99 L329	L92-K96 VanDerWaalsContact O-CB 3.25Å; L92-K96 WeakPolarHBondContact O-CB 3.18Å; L92-K96 PolarHBondContact O-N 3.23Å; K96-R98 PolarHBondContact O-N 3.09Å; K96-G99 PolarHBondContact O-N 3.02Å; K96-L329 HydrophobicContact CB-CB 4.11Å; K96-L329 HydrophobicContact CB-CD1 4.19Å; K96-L329 HydrophobicContact CD-CB 4.15Å; K96-L329 WeakPolarHBondContact CD-OXT 3.31Å; K96-L329 WeakPolarHBondContact CE-O 3.48Å; K96-L329 WeakPolarHBondContact CE-OXT 3.41Å; K96-L329 HydrophobicContact CG-CB 4.09Å; K96-L329 VanDerWaalsContact NZ-C 3.34Å; K96-L329 PolarHBondContact NZ-O 2.91Å; K96-L329 PolarHBondContact NZ-OXT 3.28Å
97	K	98.1	Very high	98	Very high	163 Å²	163	50.1 Å²	50.1	71%	0.709	26%	0.255	S	S	*	.	H	α-helix	trans	-57.8	-32.6	177.3	-179.3	-179	172.8	-171.1	0	112.5	D93 E94	D93-K97 WeakPolarHBondContact O-CB 3.45Å; D93-K97 PolarHBondContact O-N 2.83Å; E94-K97 PolarHBondContact O-N 2.97Å
98	R	98.4	Very high	98	Very high	88 Å²	88	49.5 Å²	49.5	33%	0.332	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86	-3.6	177.9	-65.6	171.4	-163.4	-120.1	-4	113.8	L70 D71 E94 I95 K96 I100	L70-R98 VanDerWaalsContact C-NH1 3.29Å; L70-R98 PolarHBondContact O-NH1 2.8Å; D71-R98 IonicContact OD1-CZ 3.84Å; D71-R98 IonicContact OD1-NH1 3.61Å; D71-R98 PolarHBondContact OD1-NH1 2.93Å; D71-R98 IonicContact OD1-NH2 2.78Å; D71-R98 PolarHBondContact OD1-NH2 3.48Å; E94-R98 VanDerWaalsContact O-CG 3.25Å; E94-R98 WeakPolarHBondContact O-CG 3.32Å; E94-R98 PolarHBondContact O-N 3.25Å; E94-R98 VanDerWaalsContact O-N 3.1Å; E94-R98 IonicContact OE2-CZ 3.71Å; E94-R98 IonicContact OE2-NE 3.62Å; E94-R98 IonicContact OE2-NH2 3.59Å; E94-R98 PolarHBondContact OE2-NH2 3.11Å; I95-R98 PolarHBondContact O-N 2.97Å; K96-R98 PolarHBondContact O-N 3.09Å; R98-I100 HydrophobicContact CB-CD1 3.68Å; R98-I100 HydrophobicContact CB-CG1 3.84Å; R98-I100 HydrophobicContact CG-CD1 4.46Å; R98-I100 PolarHBondContact O-N 3.04Å
99	G	98	Very high	98.1	Very high	61 Å²	61	46.5 Å²	46.5	63%	0.629	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	66.8	23.5	-177.3	0	0	0	0	0	113.7	I95 K96	I95-G99 PolarHBondContact O-N 3.4Å; K96-G99 PolarHBondContact O-N 3.02Å
100	I	98.8	Very high	98.1	Very high	7 Å²	7	46.5 Å²	46.5	4%	0.036	24%	0.241	C	C	.	.			trans	-80.3	129.2	179.6	-63.8	165.9	0	0	0	108.6	L70 L77 I80 I95 R98	L70-I100 HydrophobicContact CD2-CD1 4.11Å; L77-I100 HydrophobicContact CB-CD1 4.38Å; L77-I100 HydrophobicContact CD2-CD1 3.9Å; L77-I100 HydrophobicContact CG-CD1 4.1Å; L77-I100 WeakPolarHBondContact O-CG1 3.45Å; I80-I100 HydrophobicContact CB-CG2 4.49Å; I80-I100 HydrophobicContact CD1-CG2 3.83Å; I80-I100 HydrophobicContact CG1-CG2 3.84Å; I95-I100 HydrophobicContact CG2-CB 3.78Å; I95-I100 HydrophobicContact CG2-CG2 4Å; I95-I100 WeakPolarHBondContact CG2-O 3.46Å; I95-I100 PolarHBondContact O-N 2.89Å; I95-I100 VanDerWaalsContact O-N 3.1Å; R98-I100 HydrophobicContact CB-CD1 3.68Å; R98-I100 HydrophobicContact CB-CG1 3.84Å; R98-I100 HydrophobicContact CG-CD1 4.46Å; R98-I100 PolarHBondContact O-N 3.04Å
101	R	98.8	Very high	98.1	Very high	57 Å²	57	50.3 Å²	50.3	22%	0.215	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	147.7	176.8	-62.1	-179.7	68.7	-166.4	2.8	110.8	K78 V79 I80 L321 M323 E326	K78-R101 PolarHBondContact O-N 3.06Å; V79-R101 CarbonylContact C-O 3.41Å; V79-R101 WeakPolarHBondContact CA-O 3.26Å; I80-R101 PolarHBondContact N-O 3.46Å; R101-L321 PolarHBondContact NH1-O 2.81Å; R101-L321 PolarHBondContact NH2-O 3.33Å; R101-M323 HydrophobicContact CB-CE 3.76Å; R101-E326 IonicContact CZ-OE1 2.91Å; R101-E326 IonicContact CZ-OE2 3.29Å; R101-E326 IonicContact NE-OE1 3.64Å; R101-E326 PolarHBondContact NE-OE1 3.33Å; R101-E326 IonicContact NE-OE2 3.94Å; R101-E326 VanDerWaalsContact NH2-CD 3.31Å; R101-E326 IonicContact NH2-OE1 3.69Å; R101-E326 PolarHBondContact NH2-OE1 3.18Å; R101-E326 IonicContact NH2-OE2 3.88Å; R101-E326 PolarHBondContact NH2-OE2 3.39Å
102	V	98.9	Very high	98.1	Very high	1 Å²	1	49.2 Å²	49.2	1%	0.006	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	123.9	-179.5	178.5	0	0	0	0	111.3	I80 L90 I95 M323 E326 L327 L329	I80-V102 CarbonylContact O-C 3.57Å; I80-V102 VanDerWaalsContact O-CA 3.27Å; I80-V102 WeakPolarHBondContact O-CA 3.35Å; L90-V102 HydrophobicContact CD1-CG1 3.89Å; I95-V102 HydrophobicContact CD1-CG2 4.46Å; I95-V102 HydrophobicContact CG2-CG2 3.52Å; V102-M323 WeakPolarHBondContact O-CE 3.44Å; V102-E326 WeakPolarHBondContact O-CA 3.43Å; V102-L327 HydrophobicContact CB-CB 4.1Å; V102-L327 HydrophobicContact CB-CD2 4.47Å; V102-L327 HydrophobicContact CG1-CB 4Å; V102-L327 HydrophobicContact CG1-CD2 4.02Å; V102-L327 PolarHBondContact O-N 3.02Å; V102-L329 HydrophobicContact CG2-CD1 3.97Å
103	G	98.8	Very high	98.1	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	143	167.7	0	0	0	0	0	111.2	I80 S81 T82 S325	I80-G103 PolarHBondContact O-N 2.56Å; S81-G103 WeakPolarHBondContact CA-O 3.08Å; T82-G103 WeakPolarHBondContact CG2-O 3.27Å; T82-G103 PolarHBondContact N-O 3.47Å; G103-S325 WeakPolarHBondContact CA-O 3.31Å
104	Y	98.7	Very high	98.2	Very high	36 Å²	36	40.9 Å²	40.9	14%	0.141	21%	0.208	C	C	.	.			trans	-145.6	174.8	177.6	78.3	-53.9	0	0	0	110.3	S84 V85 F87 P106 N313 S325 L327	S84-Y104 WeakPolarHBondContact O-CB 3.49Å; V85-Y104 HydrophobicContact CG2-CD2 4.35Å; V85-Y104 HydrophobicContact CG2-CE2 4.3Å; F87-Y104 HydrophobicContact CD1-CD2 4.4Å; Y104-P106 HydrophobicContact CD1-CG 4.33Å; Y104-P106 HydrophobicContact CD2-CB 4.34Å; Y104-P106 HydrophobicContact CD2-CG 4.33Å; Y104-P106 HydrophobicContact CE1-CB 4.49Å; Y104-P106 HydrophobicContact CE1-CG 3.77Å; Y104-P106 HydrophobicContact CE2-CB 3.62Å; Y104-P106 HydrophobicContact CE2-CG 3.78Å; Y104-P106 VanDerWaalsContact CZ-CG 3.46Å; Y104-P106 WeakPolarHBondContact O-CD 3.48Å; Y104-N313 PolarHBondContact N-ND2 3.07Å; Y104-N313 PolarHBondContact O-ND2 3.13Å; Y104-N313 VanDerWaalsContact O-ND2 3.07Å; Y104-S325 PolarHBondContact N-O 2.88Å; Y104-S325 VanDerWaalsContact O-CB 3.28Å; Y104-S325 WeakPolarHBondContact O-CB 3.45Å; Y104-L327 HydrophobicContact CD1-CB 3.96Å; Y104-L327 HydrophobicContact CE1-CB 4.2Å
105	T	98.3	Very high	98.2	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	22%	0.218	C	C	.	.			trans	-116.2	63	-173.5	66	0	0	0	0	113.4	S84 M306 L309 T310	S84-T105 WeakPolarHBondContact CA-OG1 3.46Å; S84-T105 PolarHBondContact N-OG1 3.27Å; S84-T105 PolarHBondContact O-N 2.72Å; S84-T105 PolarHBondContact O-OG1 3.2Å; T105-M306 HydrophobicContact CG2-CB 4.29Å; T105-M306 HydrophobicContact CG2-CG 4.5Å; T105-L309 HydrophobicContact CG2-CB 4.48Å; T105-L309 HydrophobicContact CG2-CD2 4.16Å; T105-L309 HydrophobicContact CG2-CG 4.33Å; T105-T310 VanDerWaalsContact CG2-OG1 3.26Å; T105-T310 WeakPolarHBondContact CG2-OG1 3.4Å
106	P	96.4	Very high	98.2	Very high	4 Å²	4	44.3 Å²	44.3	3%	0.026	23%	0.225	C	C	.	.			trans	-67.6	166.4	172.3	35	-37	0	0	0	110.7	V85 Y104 V108	V85-P106 HydrophobicContact CG2-CB 4.35Å; Y104-P106 HydrophobicContact CD1-CG 4.33Å; Y104-P106 HydrophobicContact CD2-CB 4.34Å; Y104-P106 HydrophobicContact CD2-CG 4.33Å; Y104-P106 HydrophobicContact CE1-CB 4.49Å; Y104-P106 HydrophobicContact CE1-CG 3.77Å; Y104-P106 HydrophobicContact CE2-CB 3.62Å; Y104-P106 HydrophobicContact CE2-CG 3.78Å; Y104-P106 VanDerWaalsContact CZ-CG 3.46Å; Y104-P106 WeakPolarHBondContact O-CD 3.48Å; P106-V108 PolarHBondContact O-N 2.87Å
107	D	96.1	Very high	98.3	Very high	86 Å²	86	39 Å²	39	46%	0.46	20%	0.202	S	C	.	.	S	Bend	trans	68.1	-54.5	172	-58.7	-63.3	0	0	0	114.8	L109 T110 R165	D107-L109 PolarHBondContact O-N 3.18Å; D107-T110 WeakPolarHBondContact CA-OG1 3.39Å; D107-T110 VanDerWaalsContact O-CB 3.25Å; D107-T110 WeakPolarHBondContact O-CB 3.49Å; D107-T110 PolarHBondContact O-N 2.93Å; D107-T110 PolarHBondContact O-OG1 3.3Å; D107-R165 WeakPolarHBondContact OD1-CD 3.34Å; D107-R165 IonicContact OD1-CZ 2.74Å; D107-R165 IonicContact OD1-NE 3.43Å; D107-R165 PolarHBondContact OD1-NE 3.38Å; D107-R165 IonicContact OD1-NH2 3.98Å; D107-R165 IonicContact OD2-CZ 3.64Å; D107-R165 IonicContact OD2-NE 3.3Å; D107-R165 IonicContact OD2-NH2 3.77Å; D107-R165 PolarHBondContact OD2-NH2 3.01Å
108	V	97.4	Very high	98.3	Very high	50 Å²	50	31.8 Å²	31.8	30%	0.303	17%	0.172	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-17.8	-171	-59.9	0	0	0	0	115.9	P106 V305 M306 L309	P106-V108 PolarHBondContact O-N 2.87Å; V108-V305 HydrophobicContact CB-CG1 3.72Å; V108-V305 HydrophobicContact CG1-CG1 3.65Å; V108-V305 HydrophobicContact CG2-CG1 4.44Å; V108-M306 HydrophobicContact CG2-CG 3.73Å; V108-L309 HydrophobicContact CG1-CD2 3.93Å; V108-L309 HydrophobicContact CG2-CD2 4.08Å
109	L	97.1	Very high	98.3	Very high	7 Å²	7	30 Å²	30	4%	0.037	18%	0.176	C	C	.	.	T	Hydrogen-bonded Turn	trans	-111.9	2	179.6	61.5	79.7	0	0	0	114	V85 D107 D111 T113 I166 T302 M306	V85-L109 HydrophobicContact CB-CD1 4.31Å; V85-L109 HydrophobicContact CB-CD2 4.1Å; V85-L109 HydrophobicContact CG1-CD1 3.88Å; V85-L109 HydrophobicContact CG1-CD2 4.19Å; D107-L109 PolarHBondContact O-N 3.18Å; L109-D111 PolarHBondContact O-N 3.44Å; L109-T113 WeakPolarHBondContact CD1-OG1 3.47Å; L109-T113 WeakPolarHBondContact O-CB 3.37Å; L109-T113 PolarHBondContact O-N 3.45Å; L109-T113 PolarHBondContact O-OG1 2.99Å; L109-I166 HydrophobicContact CD1-CD1 4.01Å; L109-T302 HydrophobicContact CB-CG2 3.67Å; L109-M306 HydrophobicContact CB-CG 4.42Å; L109-M306 HydrophobicContact CB-SD 3.84Å; L109-M306 HydrophobicContact CD2-CE 3.62Å; L109-M306 HydrophobicContact CD2-CG 4.38Å; L109-M306 HydrophobicContact CD2-SD 3.69Å; L109-M306 HydrophobicContact CG-SD 4.42Å
110	T	98.4	Very high	98.4	Very high	18 Å²	18	27.2 Å²	27.2	11%	0.11	15%	0.147	C	C	.	.	H	α-helix	trans	-59.4	-49.1	-171.4	-59.2	0	0	0	0	111.4	D107 A114 R165 I166 A169	D107-T110 WeakPolarHBondContact CA-OG1 3.39Å; D107-T110 VanDerWaalsContact O-CB 3.25Å; D107-T110 WeakPolarHBondContact O-CB 3.49Å; D107-T110 PolarHBondContact O-N 2.93Å; D107-T110 PolarHBondContact O-OG1 3.3Å; T110-A114 WeakPolarHBondContact O-CB 3.44Å; T110-A114 PolarHBondContact O-N 3.33Å; T110-R165 HydrophobicContact CG2-CB 4.06Å; T110-R165 WeakPolarHBondContact CG2-O 3.47Å; T110-I166 HydrophobicContact CG2-CG1 4.28Å; T110-A169 HydrophobicContact CG2-CB 3.71Å
111	D	98.6	Very high	98.4	Very high	91 Å²	91	26.9 Å²	26.9	49%	0.487	15%	0.145	S	C	.	.	H	α-helix	trans	-67.5	-49.7	-177	-75.9	-46.7	0	0	0	112.5	L109 T113 A114 E115 R173	L109-D111 PolarHBondContact O-N 3.44Å; D111-T113 VanDerWaalsContact C-N 3.28Å; D111-T113 PolarHBondContact O-N 3.47Å; D111-A114 PolarHBondContact O-N 2.96Å; D111-A114 VanDerWaalsContact O-N 3.16Å; D111-E115 WeakPolarHBondContact O-CB 3.45Å; D111-E115 VanDerWaalsContact O-CG 3.27Å; D111-E115 WeakPolarHBondContact O-CG 3.4Å; D111-E115 PolarHBondContact O-N 3.32Å; D111-R173 VanDerWaalsContact CB-NH2 3.32Å; D111-R173 VanDerWaalsContact CG-NH2 3.34Å; D111-R173 IonicContact OD1-CZ 2.87Å; D111-R173 IonicContact OD1-NH1 3.39Å; D111-R173 PolarHBondContact OD1-NH1 2.92Å; D111-R173 IonicContact OD1-NH2 3.72Å; D111-R173 PolarHBondContact OD1-NH2 2.93Å
112	A	98.7	Very high	98.4	Very high	7 Å²	7	26.7 Å²	26.7	6%	0.058	15%	0.148	C	C	.	.	H	α-helix	trans	-57.4	-42.5	177.7	0	0	0	0	0	112.1	E115 L116 G296 T299 T302	A112-E115 PolarHBondContact O-N 2.95Å; A112-L116 PolarHBondContact O-N 3.17Å; A112-G296 CarbonylContact C-O 3.5Å; A112-G296 VanDerWaalsContact O-O 3.1Å; A112-T299 HydrophobicContact CB-CG2 4.11Å; A112-T302 HydrophobicContact CB-CG2 4.09Å; A112-T302 WeakPolarHBondContact CB-OG1 3.41Å
113	T	98.8	Very high	98.4	Very high	11 Å²	11	27.6 Å²	27.6	7%	0.067	16%	0.156	C	C	.	.	H	α-helix	trans	-68.2	-39.1	179.3	-50.1	0	0	0	0	111.9	L109 D111 T117 I166 G296	L109-T113 WeakPolarHBondContact CD1-OG1 3.47Å; L109-T113 WeakPolarHBondContact O-CB 3.37Å; L109-T113 PolarHBondContact O-N 3.45Å; L109-T113 PolarHBondContact O-OG1 2.99Å; D111-T113 VanDerWaalsContact C-N 3.28Å; D111-T113 PolarHBondContact O-N 3.47Å; T113-T117 WeakPolarHBondContact O-CB 3.16Å; T113-T117 PolarHBondContact O-N 3.25Å; T113-T117 PolarHBondContact O-OG1 3.39Å; T113-I166 HydrophobicContact CG2-CD1 4.09Å; T113-I166 HydrophobicContact CG2-CG2 3.96Å; T113-G296 VanDerWaalsContact CA-O 3.22Å; T113-G296 WeakPolarHBondContact CA-O 3.27Å; T113-G296 PolarHBondContact N-O 3.35Å
114	A	98.8	Very high	98.4	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-66.5	-41	174.8	0	0	0	0	0	112	T110 D111 T117 V118 A169 I170	T110-A114 WeakPolarHBondContact O-CB 3.44Å; T110-A114 PolarHBondContact O-N 3.33Å; D111-A114 PolarHBondContact O-N 2.96Å; D111-A114 VanDerWaalsContact O-N 3.16Å; A114-T117 PolarHBondContact O-N 2.68Å; A114-V118 WeakPolarHBondContact O-CG2 3.39Å; A114-V118 PolarHBondContact O-N 3.29Å; A114-A169 HydrophobicContact CB-CB 3.57Å; A114-I170 HydrophobicContact CB-CG1 3.75Å
115	E	98.9	Very high	98.4	Very high	99 Å²	99	26.3 Å²	26.3	46%	0.463	15%	0.152	S	C	.	.	H	α-helix	trans	-59.4	-49.2	175.4	-75.4	163.6	-157.4	0	0	111.6	D111 A112 T117 V118 A119 R173	D111-E115 WeakPolarHBondContact O-CB 3.45Å; D111-E115 VanDerWaalsContact O-CG 3.27Å; D111-E115 WeakPolarHBondContact O-CG 3.4Å; D111-E115 PolarHBondContact O-N 3.32Å; A112-E115 PolarHBondContact O-N 2.95Å; E115-T117 VanDerWaalsContact C-N 3.33Å; E115-T117 PolarHBondContact O-N 2.92Å; E115-V118 PolarHBondContact O-N 2.76Å; E115-A119 WeakPolarHBondContact O-CB 3.49Å; E115-A119 PolarHBondContact O-N 2.95Å; E115-R173 IonicContact OE1-CZ 3.17Å; E115-R173 IonicContact OE1-NE 2.71Å; E115-R173 IonicContact OE1-NH2 3.35Å; E115-R173 PolarHBondContact OE1-NH2 3.29Å
116	L	98.9	Very high	98.4	Very high	31 Å²	31	33.3 Å²	33.3	16%	0.162	18%	0.178	C	C	.	.	H	α-helix	trans	-62.1	-43.4	176.2	-174.5	78.6	0	0	0	111.4	A112 V118 A119 L120 D270 L292 I295	A112-L116 PolarHBondContact O-N 3.17Å; L116-V118 VanDerWaalsContact C-N 3.27Å; L116-V118 PolarHBondContact O-N 2.87Å; L116-A119 CarbonylContact O-C 3.56Å; L116-A119 WeakPolarHBondContact O-CB 3.28Å; L116-A119 PolarHBondContact O-N 3.12Å; L116-A119 VanDerWaalsContact O-N 3.08Å; L116-L120 WeakPolarHBondContact O-CB 3.5Å; L116-L120 PolarHBondContact O-N 2.99Å; L116-D270 HydrophobicContact CD2-CB 4.33Å; L116-D270 VanDerWaalsContact CD2-CG 3.5Å; L116-D270 WeakPolarHBondContact CD2-OD1 3.38Å; L116-L292 HydrophobicContact CD1-CD1 4.05Å; L116-L292 HydrophobicContact CD2-CD1 4.31Å; L116-L292 HydrophobicContact CG-CD1 4.33Å; L116-I295 HydrophobicContact CD1-CD1 3.96Å; L116-I295 HydrophobicContact CD1-CG1 3.86Å; L116-I295 VanDerWaalsContact CD2-C 3.41Å; L116-I295 HydrophobicContact CD2-CB 4.43Å; L116-I295 HydrophobicContact CD2-CG1 3.61Å; L116-I295 HydrophobicContact CG-CG1 4.4Å
117	T	98.9	Very high	98.5	Very high	1 Å²	1	37 Å²	37	1%	0.006	19%	0.192	C	C	.	.	H	α-helix	trans	-60.4	-40.9	-178.4	-56.6	0	0	0	0	111.2	T113 A114 E115 L121 I170 V214 I242 S244	T113-T117 WeakPolarHBondContact O-CB 3.16Å; T113-T117 PolarHBondContact O-N 3.25Å; T113-T117 PolarHBondContact O-OG1 3.39Å; A114-T117 PolarHBondContact O-N 2.68Å; E115-T117 VanDerWaalsContact C-N 3.33Å; E115-T117 PolarHBondContact O-N 2.92Å; T117-L121 WeakPolarHBondContact O-CB 3.4Å; T117-L121 PolarHBondContact O-N 2.71Å; T117-I170 HydrophobicContact CG2-CD1 3.67Å; T117-I170 HydrophobicContact CG2-CG1 4.18Å; T117-V214 HydrophobicContact CG2-CG1 3.59Å; T117-I242 HydrophobicContact CG2-CG2 3.93Å; T117-S244 WeakPolarHBondContact CG2-OG 3.27Å; T117-S244 VanDerWaalsContact OG1-CB 3.31Å; T117-S244 WeakPolarHBondContact OG1-CB 3.41Å; T117-S244 PolarHBondContact OG1-OG 2.6Å
118	V	98.9	Very high	98.7	Very high	13 Å²	13	37.2 Å²	37.2	8%	0.079	19%	0.193	C	C	.	.	H	α-helix	trans	-68.1	-40.2	174	175.9	0	0	0	0	111.3	A114 E115 L116 L120 L121 L122 I170 R173 L174 F177	A114-V118 WeakPolarHBondContact O-CG2 3.39Å; A114-V118 PolarHBondContact O-N 3.29Å; E115-V118 PolarHBondContact O-N 2.76Å; L116-V118 VanDerWaalsContact C-N 3.27Å; L116-V118 PolarHBondContact O-N 2.87Å; V118-L120 PolarHBondContact O-N 3.4Å; V118-L121 PolarHBondContact O-N 2.98Å; V118-L122 HydrophobicContact CG1-CD1 3.94Å; V118-L122 HydrophobicContact CG1-CG 4.3Å; V118-L122 WeakPolarHBondContact O-CB 3.27Å; V118-L122 VanDerWaalsContact O-CG 3.27Å; V118-L122 WeakPolarHBondContact O-CG 3.28Å; V118-L122 PolarHBondContact O-N 3.29Å; V118-I170 HydrophobicContact CG2-CG2 4.34Å; V118-R173 HydrophobicContact CG2-CB 3.97Å; V118-L174 HydrophobicContact CG1-CD2 4.06Å; V118-L174 HydrophobicContact CG2-CD2 3.98Å; V118-L174 HydrophobicContact CG2-CG 4.13Å; V118-F177 HydrophobicContact CG1-CE2 4.38Å; V118-F177 HydrophobicContact CG1-CZ 4.46Å
119	A	98.9	Very high	98.7	Very high	49 Å²	49	37.8 Å²	37.8	41%	0.405	20%	0.197	S	C	.	.	H	α-helix	trans	-60.8	-44.6	175.3	0	0	0	0	0	112	E115 L116 L122 A123	E115-A119 WeakPolarHBondContact O-CB 3.49Å; E115-A119 PolarHBondContact O-N 2.95Å; L116-A119 CarbonylContact O-C 3.56Å; L116-A119 WeakPolarHBondContact O-CB 3.28Å; L116-A119 PolarHBondContact O-N 3.12Å; L116-A119 VanDerWaalsContact O-N 3.08Å; A119-L122 PolarHBondContact O-N 3.21Å; A119-A123 VanDerWaalsContact O-CB 3.25Å; A119-A123 WeakPolarHBondContact O-CB 3.16Å; A119-A123 PolarHBondContact O-N 3.47Å
120	L	98.9	Very high	98.8	Very high	3 Å²	3	39.2 Å²	39.2	2%	0.016	20%	0.204	C	C	.	.	H	α-helix	trans	-62.6	-44.4	175.4	177.5	57.3	0	0	0	111.2	L116 V118 A123 T124 I242 D270 V290 L292	L116-L120 WeakPolarHBondContact O-CB 3.5Å; L116-L120 PolarHBondContact O-N 2.99Å; V118-L120 PolarHBondContact O-N 3.4Å; L120-A123 PolarHBondContact O-N 2.71Å; L120-T124 VanDerWaalsContact O-CB 3.27Å; L120-T124 WeakPolarHBondContact O-CB 3.46Å; L120-T124 PolarHBondContact O-N 2.64Å; L120-T124 PolarHBondContact O-OG1 3.45Å; L120-I242 HydrophobicContact CD2-CG2 4.09Å; L120-I242 HydrophobicContact CG-CD1 4.48Å; L120-I242 HydrophobicContact CG-CG2 4.28Å; L120-D270 HydrophobicContact CD2-CB 4.13Å; L120-V290 HydrophobicContact CD1-CB 4.1Å; L120-V290 HydrophobicContact CD1-CG1 3.79Å; L120-L292 HydrophobicContact CB-CD1 4.23Å; L120-L292 HydrophobicContact CD1-CD1 3.86Å; L120-L292 HydrophobicContact CD1-CG 4.04Å; L120-L292 HydrophobicContact CD2-CD1 4.32Å; L120-L292 HydrophobicContact CG-CD1 4.36Å
121	L	98.9	Very high	98.8	Very high	1 Å²	1	39.3 Å²	39.3	1%	0.005	21%	0.209	C	C	.	.	H	α-helix	trans	-56.4	-51.7	173.8	-175.9	157.5	0	0	0	111.2	T117 V118 T124 A125 L153 L174 F212 V214 I242	T117-L121 WeakPolarHBondContact O-CB 3.4Å; T117-L121 PolarHBondContact O-N 2.71Å; V118-L121 PolarHBondContact O-N 2.98Å; L121-T124 PolarHBondContact O-N 3.01Å; L121-A125 WeakPolarHBondContact O-CB 3.24Å; L121-A125 PolarHBondContact O-N 3.44Å; L121-L153 HydrophobicContact CD2-CD1 3.93Å; L121-L153 HydrophobicContact CD2-CD2 4.11Å; L121-L153 HydrophobicContact CD2-CG 4.21Å; L121-L174 HydrophobicContact CD1-CD1 4.28Å; L121-L174 HydrophobicContact CD1-CD2 4.29Å; L121-F212 HydrophobicContact CD1-CB 4.35Å; L121-F212 HydrophobicContact CD1-CD1 4.26Å; L121-F212 HydrophobicContact CD2-CD1 4.09Å; L121-F212 HydrophobicContact CD2-CE1 4.24Å; L121-F212 HydrophobicContact CG-CD1 4.18Å; L121-V214 HydrophobicContact CD1-CG2 3.92Å; L121-I242 HydrophobicContact CB-CD1 4.17Å; L121-I242 HydrophobicContact CB-CG1 3.93Å; L121-I242 HydrophobicContact CD1-CG1 4.3Å; L121-I242 HydrophobicContact CG-CG1 4.05Å
122	L	98.9	Very high	98.8	Very high	52 Å²	52	38.5 Å²	38.5	27%	0.272	21%	0.207	S	C	.	.	H	α-helix	trans	-65.2	-44.4	-178.5	-69	172.1	0	0	0	111.6	V118 A119 T124 R126 L153 F177	V118-L122 HydrophobicContact CG1-CD1 3.94Å; V118-L122 HydrophobicContact CG1-CG 4.3Å; V118-L122 WeakPolarHBondContact O-CB 3.27Å; V118-L122 VanDerWaalsContact O-CG 3.27Å; V118-L122 WeakPolarHBondContact O-CG 3.28Å; V118-L122 PolarHBondContact O-N 3.29Å; A119-L122 PolarHBondContact O-N 3.21Å; L122-T124 VanDerWaalsContact C-N 3.28Å; L122-T124 PolarHBondContact O-N 3.21Å; L122-R126 WeakPolarHBondContact O-CB 3.09Å; L122-R126 WeakPolarHBondContact O-CG 3.44Å; L122-R126 PolarHBondContact O-N 3.48Å; L122-L153 HydrophobicContact CD2-CD1 3.78Å; L122-F177 HydrophobicContact CD1-CE1 3.9Å; L122-F177 HydrophobicContact CD1-CZ 3.85Å; L122-F177 HydrophobicContact CD2-CD1 4.29Å; L122-F177 HydrophobicContact CD2-CE1 3.85Å; L122-F177 HydrophobicContact CD2-CZ 4.48Å; L122-F177 HydrophobicContact CG-CE1 4.49Å
123	A	98.9	Very high	98.8	Very high	21 Å²	21	42.9 Å²	42.9	17%	0.174	23%	0.226	C	C	.	.	H	α-helix	trans	-59.8	-41.6	178.4	0	0	0	0	0	111.7	A119 L120 R127 L128 P129	A119-A123 VanDerWaalsContact O-CB 3.25Å; A119-A123 WeakPolarHBondContact O-CB 3.16Å; A119-A123 PolarHBondContact O-N 3.47Å; L120-A123 PolarHBondContact O-N 2.71Å; A123-R127 PolarHBondContact O-N 3.18Å; A123-R127 VanDerWaalsContact O-N 3.13Å; A123-L128 HydrophobicContact CB-CB 4.25Å; A123-L128 HydrophobicContact CB-CD2 4.35Å; A123-L128 PolarHBondContact O-N 2.89Å; A123-P129 WeakPolarHBondContact O-CD 3.47Å
124	T	98.9	Very high	98.8	Very high	6 Å²	6	44.6 Å²	44.6	4%	0.037	23%	0.233	C	C	.	.	H	α-helix	trans	-69.6	-56.2	178.1	-53.9	0	0	0	0	110.9	L120 L121 L122 R126 R127 V240 I242 A266 A267 V290	L120-T124 VanDerWaalsContact O-CB 3.27Å; L120-T124 WeakPolarHBondContact O-CB 3.46Å; L120-T124 PolarHBondContact O-N 2.64Å; L120-T124 PolarHBondContact O-OG1 3.45Å; L121-T124 PolarHBondContact O-N 3.01Å; L122-T124 VanDerWaalsContact C-N 3.28Å; L122-T124 PolarHBondContact O-N 3.21Å; T124-R126 VanDerWaalsContact C-N 3.29Å; T124-R126 PolarHBondContact O-N 2.89Å; T124-R127 PolarHBondContact O-N 3.5Å; T124-R127 VanDerWaalsContact O-N 3.15Å; T124-V240 HydrophobicContact CG2-CG1 3.75Å; T124-I242 HydrophobicContact CG2-CD1 4.39Å; T124-A266 HydrophobicContact CG2-CB 3.68Å; T124-A267 VanDerWaalsContact CG2-C 3.48Å; T124-A267 WeakPolarHBondContact CG2-O 3.27Å; T124-V290 HydrophobicContact CG2-CG2 4.31Å
125	A	98.8	Very high	98.8	Very high	3 Å²	3	48.6 Å²	48.6	3%	0.025	26%	0.257	C	S	.	.	H	α-helix	trans	-64.8	-32.4	-174.7	0	0	0	0	0	113.2	L121 G150 Y151 F212 V240	L121-A125 WeakPolarHBondContact O-CB 3.24Å; L121-A125 PolarHBondContact O-N 3.44Å; A125-G150 CarbonylContact O-C 3.57Å; A125-G150 VanDerWaalsContact O-CA 3.25Å; A125-G150 WeakPolarHBondContact O-CA 3.41Å; A125-Y151 PolarHBondContact O-N 2.92Å; A125-F212 HydrophobicContact CB-CE1 3.72Å; A125-F212 HydrophobicContact CB-CZ 4.48Å; A125-V240 HydrophobicContact CB-CG2 4.24Å
126	R	98.8	Very high	98.8	Very high	146 Å²	146	51.5 Å²	51.5	55%	0.551	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.8	9.1	179.3	-56.3	-58.9	-54.3	-73	-4.9	113.5	L122 T124 L128	L122-R126 WeakPolarHBondContact O-CB 3.09Å; L122-R126 WeakPolarHBondContact O-CG 3.44Å; L122-R126 PolarHBondContact O-N 3.48Å; T124-R126 VanDerWaalsContact C-N 3.29Å; T124-R126 PolarHBondContact O-N 2.89Å; R126-L128 VanDerWaalsContact C-N 3.27Å; R126-L128 HydrophobicContact CB-CD1 3.64Å; R126-L128 PolarHBondContact O-N 3.27Å
127	R	98.8	Very high	98.8	Very high	81 Å²	81	54 Å²	54	31%	0.306	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	57	37.6	170.4	-54.2	176	66	-174.9	0.9	113.3	A123 T124 E130 G131 C149	A123-R127 PolarHBondContact O-N 3.18Å; A123-R127 VanDerWaalsContact O-N 3.13Å; T124-R127 PolarHBondContact O-N 3.5Å; T124-R127 VanDerWaalsContact O-N 3.15Å; R127-E130 WeakPolarHBondContact CB-OE1 2.98Å; R127-E130 IonicContact CZ-OE1 2.96Å; R127-E130 IonicContact CZ-OE2 2.74Å; R127-E130 IonicContact NE-OE1 3.96Å; R127-E130 PolarHBondContact NE-OE1 2.84Å; R127-E130 IonicContact NE-OE2 3.31Å; R127-E130 IonicContact NH2-OE1 3.46Å; R127-E130 PolarHBondContact NH2-OE1 3.07Å; R127-E130 IonicContact NH2-OE2 3.65Å; R127-E130 PolarHBondContact NH2-OE2 3.34Å; R127-E130 PolarHBondContact O-N 3.25Å; R127-G131 PolarHBondContact O-N 2.92Å; R127-C149 VanDerWaalsContact CD-O 3.31Å; R127-C149 WeakPolarHBondContact CD-O 3.28Å; R127-C149 PolarHBondContact NH1-O 2.99Å
128	L	98.9	Very high	98.7	Very high	92 Å²	92	56.8 Å²	56.8	48%	0.482	31%	0.311	S	S	.	.	H	α-helix	trans	-58.3	-47.2	-177.4	-96.1	62.8	0	0	0	112.4	A123 R126 E130 G131 V132	A123-L128 HydrophobicContact CB-CB 4.25Å; A123-L128 HydrophobicContact CB-CD2 4.35Å; A123-L128 PolarHBondContact O-N 2.89Å; R126-L128 VanDerWaalsContact C-N 3.27Å; R126-L128 HydrophobicContact CB-CD1 3.64Å; R126-L128 PolarHBondContact O-N 3.27Å; L128-E130 VanDerWaalsContact C-N 3.34Å; L128-E130 PolarHBondContact O-N 3.44Å; L128-G131 PolarHBondContact O-N 3.39Å; L128-G131 VanDerWaalsContact O-N 3.15Å; L128-V132 WeakPolarHBondContact O-CG2 3.29Å; L128-V132 PolarHBondContact O-N 3.18Å
129	P	98.8	Very high	98.7	Very high	62 Å²	62	57.4 Å²	57.4	40%	0.403	32%	0.32	S	S	.	.	H	α-helix	trans	-58.6	-43.8	-179.9	-28.6	38.3	0	0	0	113.2	A123 V132 E133 V290	A123-P129 WeakPolarHBondContact O-CD 3.47Å; P129-V132 PolarHBondContact O-N 2.94Å; P129-E133 PolarHBondContact O-N 3.25Å; P129-V290 HydrophobicContact CG-CG1 4.31Å; P129-V290 HydrophobicContact CG-CG2 3.88Å
130	E	98.7	Very high	98.7	Very high	36 Å²	36	62.4 Å²	62.4	17%	0.168	33%	0.328	C	S	.	.	H	α-helix	trans	-62.1	-45.3	174.8	-63.7	178.5	-89.1	0	0	111.2	R127 L128 V132 E133 E134 L148 K287	R127-E130 WeakPolarHBondContact CB-OE1 2.98Å; R127-E130 IonicContact CZ-OE1 2.96Å; R127-E130 IonicContact CZ-OE2 2.74Å; R127-E130 IonicContact NE-OE1 3.96Å; R127-E130 PolarHBondContact NE-OE1 2.84Å; R127-E130 IonicContact NE-OE2 3.31Å; R127-E130 IonicContact NH2-OE1 3.46Å; R127-E130 PolarHBondContact NH2-OE1 3.07Å; R127-E130 IonicContact NH2-OE2 3.65Å; R127-E130 PolarHBondContact NH2-OE2 3.34Å; R127-E130 PolarHBondContact O-N 3.25Å; L128-E130 VanDerWaalsContact C-N 3.34Å; L128-E130 PolarHBondContact O-N 3.44Å; E130-V132 PolarHBondContact O-N 3.1Å; E130-E133 PolarHBondContact O-N 3.14Å; E130-E134 WeakPolarHBondContact O-CG 3.28Å; E130-E134 PolarHBondContact O-N 3.37Å; E130-L148 HydrophobicContact CB-CD2 4.05Å; E130-K287 HydrophobicContact CG-CB 4.2Å
131	G	98.6	Very high	98.6	Very high	21 Å²	21	66.5 Å²	66.5	22%	0.216	36%	0.358	C	S	.	.	H	α-helix	trans	-62.5	-39.3	177.7	0	0	0	0	0	113.6	R127 L128 E133 V135	R127-G131 PolarHBondContact O-N 2.92Å; L128-G131 PolarHBondContact O-N 3.39Å; L128-G131 VanDerWaalsContact O-N 3.15Å; G131-E133 VanDerWaalsContact C-N 3.34Å; G131-V135 WeakPolarHBondContact O-CG2 3.48Å; G131-V135 PolarHBondContact O-N 3.13Å
132	V	98.7	Very high	98.6	Very high	73 Å²	73	70 Å²	70	44%	0.442	38%	0.382	S	S	.	.	H	α-helix	trans	-62.9	-42.6	174.3	169.1	0	0	0	0	110.8	L128 P129 E130 V135 K136	L128-V132 WeakPolarHBondContact O-CG2 3.29Å; L128-V132 PolarHBondContact O-N 3.18Å; P129-V132 PolarHBondContact O-N 2.94Å; E130-V132 PolarHBondContact O-N 3.1Å; V132-V135 PolarHBondContact O-N 3.15Å; V132-K136 HydrophobicContact CG1-CD 4.09Å; V132-K136 WeakPolarHBondContact O-CG 3.24Å; V132-K136 PolarHBondContact O-N 3.45Å; V132-K136 VanDerWaalsContact O-N 3.13Å
133	E	98.6	Very high	98.5	Very high	100 Å²	100	77.4 Å²	77.4	47%	0.467	41%	0.406	S	S	.	.	H	α-helix	trans	-64.7	-43.7	179.5	-174.6	54.5	-151.7	0	0	112	P129 E130 G131 V135 K136 N137	P129-E133 PolarHBondContact O-N 3.25Å; E130-E133 PolarHBondContact O-N 3.14Å; G131-E133 VanDerWaalsContact C-N 3.34Å; E133-V135 PolarHBondContact O-N 3.43Å; E133-K136 PolarHBondContact O-N 3.3Å; E133-N137 WeakPolarHBondContact O-CB 3.15Å; E133-N137 PolarHBondContact O-N 3.19Å; E133-N137 PolarHBondContact O-ND2 3.04Å; E133-N137 PolarHBondContact O-OD1 2.91Å
134	E	98.7	Very high	98.5	Very high	47 Å²	47	80.5 Å²	80.5	22%	0.22	42%	0.416	C	S	.	.	H	α-helix	trans	-62.6	-27.4	177.8	-68.4	-67.6	129.3	0	0	113.5	E130 N137 G139 W140 W147 L148	E130-E134 WeakPolarHBondContact O-CG 3.28Å; E130-E134 PolarHBondContact O-N 3.37Å; E134-N137 VanDerWaalsContact CA-OD1 3.31Å; E134-N137 WeakPolarHBondContact CA-OD1 3.49Å; E134-N137 PolarHBondContact O-OD1 2.65Å; E134-N137 VanDerWaalsContact O-OD1 3.14Å; E134-G139 PolarHBondContact O-N 3.3Å; E134-W140 PolarHBondContact O-N 3.44Å; E134-W147 HydrophobicContact CB-CH2 3.74Å; E134-W147 HydrophobicContact CB-CZ2 3.63Å; E134-W147 HydrophobicContact CG-CH2 4.23Å; E134-W147 HydrophobicContact CG-CZ2 3.6Å; E134-W147 WeakPolarHBondContact OE2-CZ2 3.28Å; E134-L148 HydrophobicContact CG-CD1 4.43Å
135	V	98.7	Very high	98.4	Very high	83 Å²	83	84.6 Å²	84.6	50%	0.503	44%	0.443	S	S	.	.	H	α-helix	trans	-74.2	-45.9	171.8	174.9	0	0	0	0	110.6	G131 V132 E133 G138 W140	G131-V135 WeakPolarHBondContact O-CG2 3.48Å; G131-V135 PolarHBondContact O-N 3.13Å; V132-V135 PolarHBondContact O-N 3.15Å; E133-V135 PolarHBondContact O-N 3.43Å; V135-G138 PolarHBondContact O-N 3.44Å; V135-W140 HydrophobicContact CG1-CE3 4.47Å; V135-W140 HydrophobicContact CG2-CB 4.47Å; V135-W140 HydrophobicContact CG2-CD2 4.49Å; V135-W140 HydrophobicContact CG2-CE3 3.85Å; V135-W140 HydrophobicContact CG2-CZ3 4.49Å
136	K	98.6	Very high	98.4	Very high	161 Å²	161	92 Å²	92	70%	0.7	48%	0.481	S	S	*	.	H	α-helix	trans	-66.7	-37.6	-177.6	-72.8	176.7	177.3	179.4	0	112.9	V132 E133	V132-K136 HydrophobicContact CG1-CD 4.09Å; V132-K136 WeakPolarHBondContact O-CG 3.24Å; V132-K136 PolarHBondContact O-N 3.45Å; V132-K136 VanDerWaalsContact O-N 3.13Å; E133-K136 PolarHBondContact O-N 3.3Å
137	N	98.4	Very high	98.4	Very high	82 Å²	82	89 Å²	89	44%	0.439	47%	0.469	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89	-2.3	-176.4	73.6	17.3	0	0	0	113.8	E133 E134 G139	E133-N137 WeakPolarHBondContact O-CB 3.15Å; E133-N137 PolarHBondContact O-N 3.19Å; E133-N137 PolarHBondContact O-ND2 3.04Å; E133-N137 PolarHBondContact O-OD1 2.91Å; E134-N137 VanDerWaalsContact CA-OD1 3.31Å; E134-N137 WeakPolarHBondContact CA-OD1 3.49Å; E134-N137 PolarHBondContact O-OD1 2.65Å; E134-N137 VanDerWaalsContact O-OD1 3.14Å; N137-G139 PolarHBondContact OD1-N 2.92Å
138	G	98.2	Very high	98.4	Very high	61 Å²	61	87.1 Å²	87.1	63%	0.629	47%	0.465	S	S	*	.	T	Hydrogen-bonded Turn	trans	80.5	10	-179.6	0	0	0	0	0	115.5	V135 W140	V135-G138 PolarHBondContact O-N 3.44Å; G138-W140 PolarHBondContact O-N 2.91Å
139	G	98	Very high	98.4	Very high	25 Å²	25	86.4 Å²	86.4	26%	0.258	47%	0.467	S	S	.	.			trans	-65.7	-24.3	174.9	0	0	0	0	0	113.7	E134 N137 S141	E134-G139 PolarHBondContact O-N 3.3Å; N137-G139 PolarHBondContact OD1-N 2.92Å; G139-S141 PolarHBondContact O-N 3.48Å; G139-S141 VanDerWaalsContact O-N 3.09Å
140	W	98.3	Very high	98.3	Very high	154 Å²	154	85 Å²	85	58%	0.583	46%	0.464	S	S	*	.			trans	-71.9	102.4	173.3	-174.1	27.5	0	0	0	112.3	E134 V135 G138 S142 W147	E134-W140 PolarHBondContact O-N 3.44Å; V135-W140 HydrophobicContact CG1-CE3 4.47Å; V135-W140 HydrophobicContact CG2-CB 4.47Å; V135-W140 HydrophobicContact CG2-CD2 4.49Å; V135-W140 HydrophobicContact CG2-CE3 3.85Å; V135-W140 HydrophobicContact CG2-CZ3 4.49Å; G138-W140 PolarHBondContact O-N 2.91Å; W140-S142 VanDerWaalsContact CD1-O 3.25Å; W140-S142 PolarHBondContact NE1-O 3.46Å; W140-S142 VanDerWaalsContact NE1-O 3.15Å; W140-W147 HydrophobicContact CB-CH2 4.03Å; W140-W147 HydrophobicContact CB-CZ3 4.43Å; W140-W147 AromaticContact CD1-CZ3 3.7Å; W140-W147 HydrophobicContact CG-CH2 4.35Å; W140-W147 HydrophobicContact CG-CZ3 4.26Å
141	S	97.4	Very high	98.4	Very high	90 Å²	90	88 Å²	88	63%	0.629	47%	0.474	S	S	*	.			trans	-99.7	-34.4	179.4	28.9	0	0	0	0	113.7	G139 K144	G139-S141 PolarHBondContact O-N 3.48Å; G139-S141 VanDerWaalsContact O-N 3.09Å; S141-K144 WeakPolarHBondContact OG-CE 3.32Å; S141-K144 PolarHBondContact OG-NZ 3.49Å
142	S	98.2	Very high	98.3	Very high	74 Å²	74	89.4 Å²	89.4	52%	0.517	49%	0.489	S	S	.	.	S	Bend	trans	-166.9	174.8	178.9	-166.5	0	0	0	0	109.9	W140	W140-S142 VanDerWaalsContact CD1-O 3.25Å; W140-S142 PolarHBondContact NE1-O 3.46Å; W140-S142 VanDerWaalsContact NE1-O 3.15Å
143	W	98.5	Very high	98.4	Very high	208 Å²	208	86.5 Å²	86.5	79%	0.788	47%	0.471	S	S	*	.			trans	-67.5	132.7	164.6	-178.7	89.6	0	0	0	109.8	P145	W143-P145 HydrophobicContact CH2-CB 3.71Å; W143-P145 HydrophobicContact CZ2-CB 4.49Å; W143-P145 HydrophobicContact CZ3-CB 3.91Å; W143-P145 HydrophobicContact CZ3-CG 4.3Å
144	K	98.4	Very high	98.4	Very high	86 Å²	86	86.6 Å²	86.6	37%	0.374	48%	0.482	S	S	.	.			trans	-131.3	126.3	-176.2	-68.6	175.4	-172.7	173.1	0	109.2	S141 L146 W147	S141-K144 WeakPolarHBondContact OG-CE 3.32Å; S141-K144 PolarHBondContact OG-NZ 3.49Å; K144-L146 PolarHBondContact O-N 2.83Å; K144-W147 HydrophobicContact CB-CB 3.5Å; K144-W147 HydrophobicContact CB-CG 4.37Å; K144-W147 HydrophobicContact CD-CB 4.03Å; K144-W147 HydrophobicContact CD-CD2 4.23Å; K144-W147 HydrophobicContact CD-CE3 4.38Å; K144-W147 HydrophobicContact CD-CG 4.11Å; K144-W147 HydrophobicContact CG-CB 4.39Å; K144-W147 PolarHBondContact O-N 3.25Å
145	P	97.3	Very high	98.4	Very high	92 Å²	92	86.6 Å²	86.6	60%	0.597	50%	0.495	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67	-19.9	-171.8	24.5	-34.4	0	0	0	114.9	W143	W143-P145 HydrophobicContact CH2-CB 3.71Å; W143-P145 HydrophobicContact CZ2-CB 4.49Å; W143-P145 HydrophobicContact CZ3-CB 3.91Å; W143-P145 HydrophobicContact CZ3-CG 4.3Å
146	L	98.2	Very high	98.4	Very high	157 Å²	157	82.9 Å²	82.9	82%	0.822	47%	0.473	S	S	*	.	T	Hydrogen-bonded Turn	trans	-119.5	6.2	-174.8	-60.1	176.9	0	0	0	113.4	K144	K144-L146 PolarHBondContact O-N 2.83Å
147	W	98.4	Very high	98.4	Very high	83 Å²	83	75.8 Å²	75.8	31%	0.314	44%	0.443	S	S	.	.	S	Bend	trans	-97.9	137.4	-173.4	-176.2	56.5	0	0	0	111	E134 W140 K144 C149	E134-W147 HydrophobicContact CB-CH2 3.74Å; E134-W147 HydrophobicContact CB-CZ2 3.63Å; E134-W147 HydrophobicContact CG-CH2 4.23Å; E134-W147 HydrophobicContact CG-CZ2 3.6Å; E134-W147 WeakPolarHBondContact OE2-CZ2 3.28Å; W140-W147 HydrophobicContact CB-CH2 4.03Å; W140-W147 HydrophobicContact CB-CZ3 4.43Å; W140-W147 AromaticContact CD1-CZ3 3.7Å; W140-W147 HydrophobicContact CG-CH2 4.35Å; W140-W147 HydrophobicContact CG-CZ3 4.26Å; K144-W147 HydrophobicContact CB-CB 3.5Å; K144-W147 HydrophobicContact CB-CG 4.37Å; K144-W147 HydrophobicContact CD-CB 4.03Å; K144-W147 HydrophobicContact CD-CD2 4.23Å; K144-W147 HydrophobicContact CD-CE3 4.38Å; K144-W147 HydrophobicContact CD-CG 4.11Å; K144-W147 HydrophobicContact CG-CB 4.39Å; K144-W147 PolarHBondContact O-N 3.25Å; W147-C149 PolarHBondContact O-N 2.97Å; W147-C149 VanDerWaalsContact O-N 3.11Å
148	L	98.1	Very high	98.4	Very high	42 Å²	42	71.9 Å²	71.9	22%	0.22	42%	0.422	C	S	.	.	S	Bend	trans	53.1	27.5	-178.4	-64.3	172.6	0	0	0	114.4	E130 E134 G150	E130-L148 HydrophobicContact CB-CD2 4.05Å; E134-L148 HydrophobicContact CG-CD1 4.43Å; L148-G150 PolarHBondContact O-N 2.97Å
149	C	98.7	Very high	98.4	Very high	78 Å²	78	69 Å²	69	53%	0.527	39%	0.392	S	S	.	.			trans	-59.9	137.5	167.8	-60.7	0	0	0	0	109.7	R127 W147	R127-C149 VanDerWaalsContact CD-O 3.31Å; R127-C149 WeakPolarHBondContact CD-O 3.28Å; R127-C149 PolarHBondContact NH1-O 2.99Å; W147-C149 PolarHBondContact O-N 2.97Å; W147-C149 VanDerWaalsContact O-N 3.11Å
150	G	98.6	Very high	98.5	Very high	31 Å²	31	67.8 Å²	67.8	32%	0.32	38%	0.38	S	S	.	.			trans	-127.8	-168	179.1	0	0	0	0	0	111.6	A125 L148	A125-G150 CarbonylContact O-C 3.57Å; A125-G150 VanDerWaalsContact O-CA 3.25Å; A125-G150 WeakPolarHBondContact O-CA 3.41Å; L148-G150 PolarHBondContact O-N 2.97Å
151	Y	98.8	Very high	98.5	Very high	99 Å²	99	60.9 Å²	60.9	39%	0.388	35%	0.354	S	S	.	.			trans	-99.6	131.7	-176.8	-60.5	-84.7	0	0	0	110.9	A125 T238 V240 A265	A125-Y151 PolarHBondContact O-N 2.92Å; Y151-T238 HydrophobicContact CE1-CG2 3.78Å; Y151-V240 HydrophobicContact CD2-CG2 4.27Å; Y151-A265 HydrophobicContact CD2-CB 4.12Å; Y151-A265 HydrophobicContact CE2-CB 3.41Å; Y151-A265 VanDerWaalsContact CE2-CB 3.41Å
152	G	98.5	Very high	98.5	Very high	51 Å²	51	57.3 Å²	57.3	53%	0.526	33%	0.332	S	S	.	.			trans	-97.5	150.7	-178.5	0	0	0	0	0	113	F212	G152-F212 WeakPolarHBondContact O-CE2 3.31Å
153	L	98.8	Very high	98.5	Very high	12 Å²	12	54 Å²	54	6%	0.063	31%	0.308	C	S	.	.			trans	-81.2	-22.3	177.2	-79.2	162.8	0	0	0	113.8	L121 L122 G155 S156 V158 L174 F177 V179 F212	L121-L153 HydrophobicContact CD2-CD1 3.93Å; L121-L153 HydrophobicContact CD2-CD2 4.11Å; L121-L153 HydrophobicContact CD2-CG 4.21Å; L122-L153 HydrophobicContact CD2-CD1 3.78Å; L153-G155 PolarHBondContact O-N 3.15Å; L153-S156 WeakPolarHBondContact O-CB 3.42Å; L153-S156 PolarHBondContact O-N 2.9Å; L153-S156 VanDerWaalsContact O-N 3.08Å; L153-S156 PolarHBondContact O-OG 3.44Å; L153-V158 HydrophobicContact CD2-CG2 4.06Å; L153-L174 HydrophobicContact CD1-CD2 3.93Å; L153-L174 HydrophobicContact CD2-CD2 4.32Å; L153-F177 HydrophobicContact CB-CB 3.72Å; L153-F177 HydrophobicContact CD1-CB 3.73Å; L153-F177 HydrophobicContact CD1-CD1 3.72Å; L153-F177 HydrophobicContact CD1-CD2 4.37Å; L153-F177 HydrophobicContact CD1-CE1 4.42Å; L153-F177 HydrophobicContact CD1-CG 3.68Å; L153-F177 HydrophobicContact CG-CB 4.36Å; L153-V179 HydrophobicContact CD2-CG2 4.21Å; L153-F212 HydrophobicContact CD2-CD1 4.45Å; L153-F212 HydrophobicContact CD2-CD2 3.72Å; L153-F212 HydrophobicContact CD2-CE1 4.49Å; L153-F212 HydrophobicContact CD2-CE2 3.75Å; L153-F212 HydrophobicContact CD2-CG 4.09Å; L153-F212 HydrophobicContact CD2-CZ 4.16Å; L153-F212 HydrophobicContact CG-CE2 4.25Å; L153-F212 HydrophobicContact CG-CZ 4.31Å
154	S	98.7	Very high	98.4	Very high	102 Å²	102	45.7 Å²	45.7	71%	0.713	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.6	127.5	-178.4	-171.6	0	0	0	0	110.8	S156 F177	S154-S156 PolarHBondContact O-N 2.78Å; S154-F177 WeakPolarHBondContact CA-O 3.01Å; S154-F177 PolarHBondContact N-O 3.47Å
155	G	98.6	Very high	98.3	Very high	47 Å²	47	47.9 Å²	47.9	49%	0.485	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	75.7	0.5	-176.8	0	0	0	0	0	114.9	L153 G178 K180	L153-G155 PolarHBondContact O-N 3.15Å; G155-G178 PolarHBondContact N-O 3.35Å; G155-K180 WeakPolarHBondContact O-CB 3.42Å
156	S	98.9	Very high	98.4	Very high	5 Å²	5	45.1 Å²	45.1	4%	0.035	27%	0.273	C	S	.	.			trans	-79.5	163.2	-173.5	72.3	0	0	0	0	113.9	L153 S154 K180 R181 D211	L153-S156 WeakPolarHBondContact O-CB 3.42Å; L153-S156 PolarHBondContact O-N 2.9Å; L153-S156 VanDerWaalsContact O-N 3.08Å; L153-S156 PolarHBondContact O-OG 3.44Å; S154-S156 PolarHBondContact O-N 2.78Å; S156-K180 WeakPolarHBondContact O-CB 3.23Å; S156-K180 PolarHBondContact O-N 3.45Å; S156-R181 PolarHBondContact O-N 3.21Å; S156-D211 WeakPolarHBondContact CA-OD2 3.41Å
157	T	98.9	Very high	98.4	Very high	13 Å²	13	37.6 Å²	37.6	8%	0.08	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	126.1	164.5	-56.5	0	0	0	0	109.7	R181 L183 E209 D211 F212	T157-R181 WeakPolarHBondContact CA-O 3.26Å; T157-R181 HydrophobicContact CG2-CB 3.99Å; T157-L183 HydrophobicContact CG2-CD1 3.7Å; T157-L183 HydrophobicContact CG2-CG 3.78Å; T157-E209 WeakPolarHBondContact CB-O 3.33Å; T157-D211 PolarHBondContact N-OD2 2.91Å; T157-D211 PolarHBondContact O-N 2.77Å; T157-F212 PolarHBondContact O-N 2.83Å
158	V	98.9	Very high	98.4	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	124.8	176.8	178.7	0	0	0	0	109.5	L153 V160 L174 V179 R181 L182 L183 F212	L153-V158 HydrophobicContact CD2-CG2 4.06Å; V158-V160 HydrophobicContact CG1-CG2 4.36Å; V158-L174 HydrophobicContact CG1-CD1 3.84Å; V158-V179 HydrophobicContact CB-CG1 4.18Å; V158-V179 HydrophobicContact CG2-CB 4.4Å; V158-V179 HydrophobicContact CG2-CG1 3.78Å; V158-V179 HydrophobicContact CG2-CG2 3.66Å; V158-R181 PolarHBondContact N-O 3.29Å; V158-L182 HydrophobicContact CB-CD1 4.25Å; V158-L182 HydrophobicContact CG1-CD1 4.33Å; V158-L182 CarbonylContact O-C 3.52Å; V158-L182 WeakPolarHBondContact O-CA 3.34Å; V158-L183 PolarHBondContact O-N 3.15Å; V158-F212 CarbonylContact C-O 3.42Å; V158-F212 WeakPolarHBondContact CA-O 3.43Å; V158-F212 HydrophobicContact CG1-CB 4.46Å; V158-F212 HydrophobicContact CG2-CB 4.2Å; V158-F212 HydrophobicContact CG2-CD2 4.28Å
159	G	98.9	Very high	98.4	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	124.7	174.6	0	0	0	0	0	111.9	L183 S210 F212 V213 V214	G159-L183 CarbonylContact C-O 3.47Å; G159-L183 WeakPolarHBondContact CA-O 3.36Å; G159-S210 VanDerWaalsContact CA-OG 3.25Å; G159-S210 WeakPolarHBondContact CA-OG 3.25Å; G159-S210 PolarHBondContact N-OG 3.22Å; G159-S210 VanDerWaalsContact N-OG 3.17Å; G159-F212 PolarHBondContact N-O 3.33Å; G159-V213 CarbonylContact O-C 3.55Å; G159-V213 WeakPolarHBondContact O-CA 3.33Å; G159-V214 PolarHBondContact O-N 2.91Å
160	V	98.9	Very high	98.4	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	116.4	176.7	-175.8	0	0	0	0	110.7	V158 G162 L163 L182 L183 Y184 A185 V214	V158-V160 HydrophobicContact CG1-CG2 4.36Å; V160-G162 PolarHBondContact O-N 3.49Å; V160-L163 HydrophobicContact CB-CD1 4.18Å; V160-L163 HydrophobicContact CG1-CD1 4.07Å; V160-L182 HydrophobicContact CG2-CD1 4.42Å; V160-L183 PolarHBondContact N-O 3.23Å; V160-Y184 WeakPolarHBondContact O-CA 3.46Å; V160-Y184 WeakPolarHBondContact O-CB 3.38Å; V160-A185 PolarHBondContact O-N 3.3Å; V160-A185 VanDerWaalsContact O-N 3.13Å; V160-V214 CarbonylContact C-O 3.53Å; V160-V214 WeakPolarHBondContact CA-O 3.22Å
161	I	98.8	Very high	98.4	Very high	8 Å²	8	27.3 Å²	27.3	4%	0.041	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	106.5	173.2	-53.5	-178.2	0	0	0	108.1	L203 L206 V213 V214 V215 S216 C217 L226 F231	I161-L203 HydrophobicContact CD1-CD1 3.71Å; I161-L203 HydrophobicContact CG1-CD1 4.07Å; I161-L206 HydrophobicContact CD1-CD2 4.49Å; I161-L206 HydrophobicContact CG1-CD1 4.42Å; I161-L206 HydrophobicContact CG1-CD2 4.07Å; I161-V213 HydrophobicContact CD1-CG1 4.01Å; I161-V213 HydrophobicContact CG1-CG1 4.27Å; I161-V214 PolarHBondContact N-O 2.85Å; I161-V215 HydrophobicContact CB-CG1 4.47Å; I161-V215 HydrophobicContact CD1-CG2 4.21Å; I161-S216 CarbonylContact O-C 3.55Å; I161-S216 PolarHBondContact O-N 2.79Å; I161-C217 HydrophobicContact CG2-CB 4.43Å; I161-C217 PolarHBondContact O-N 3.42Å; I161-L226 HydrophobicContact CG2-CD2 3.96Å; I161-F231 HydrophobicContact CD1-CE2 3.52Å; I161-F231 HydrophobicContact CD1-CZ 3.66Å
162	G	97.8	Very high	98.4	Very high	16 Å²	16	26.6 Å²	26.6	17%	0.165	17%	0.174	C	C	.	.			trans	89.4	78.8	-175	0	0	0	0	0	113.5	V160 G164 A185 S216	V160-G162 PolarHBondContact O-N 3.49Å; G162-G164 PolarHBondContact O-N 2.6Å; G162-A185 PolarHBondContact N-O 3.33Å; G162-S216 PolarHBondContact O-OG 2.9Å
163	L	97.9	Very high	98.4	Very high	3 Å²	3	26.9 Å²	26.9	2%	0.016	16%	0.159	C	C	.	.			trans	-78.5	52.5	175.1	-158.7	75.2	0	0	0	113	V160 M168 A171 Y184 H192 A193	V160-L163 HydrophobicContact CB-CD1 4.18Å; V160-L163 HydrophobicContact CG1-CD1 4.07Å; L163-M168 HydrophobicContact CD1-CG 4.41Å; L163-M168 HydrophobicContact CD1-SD 3.78Å; L163-M168 HydrophobicContact CD2-SD 3.53Å; L163-M168 VanDerWaalsContact CD2-SD 3.53Å; L163-M168 HydrophobicContact CG-CG 4Å; L163-M168 HydrophobicContact CG-SD 3.49Å; L163-M168 WeakPolarHBondContact CG-SD 3.26Å; L163-A171 HydrophobicContact CD1-CB 4.37Å; L163-Y184 HydrophobicContact CB-CD2 3.5Å; L163-Y184 HydrophobicContact CB-CE2 4.18Å; L163-Y184 HydrophobicContact CB-CG 3.84Å; L163-Y184 HydrophobicContact CD2-CD1 3.75Å; L163-Y184 HydrophobicContact CD2-CD2 3.8Å; L163-Y184 HydrophobicContact CD2-CE1 3.99Å; L163-Y184 HydrophobicContact CD2-CE2 4.04Å; L163-Y184 HydrophobicContact CD2-CG 3.63Å; L163-Y184 HydrophobicContact CG-CD2 4.27Å; L163-Y184 HydrophobicContact CG-CG 4.23Å; L163-H192 PolarHBondContact O-NE2 2.95Å; L163-A193 HydrophobicContact CD2-CB 3.61Å
164	G	96.5	Very high	98.4	Very high	35 Å²	35	26.3 Å²	26.3	36%	0.361	16%	0.156	S	C	.	.	S	Bend	trans	-76.3	-161.8	169.6	0	0	0	0	0	111.8	G162 I166 G167 M168	G162-G164 PolarHBondContact O-N 2.6Å; G164-I166 PolarHBondContact O-N 2.74Å; G164-G167 PolarHBondContact O-N 3.46Å; G164-M168 WeakPolarHBondContact O-CB 3.44Å; G164-M168 WeakPolarHBondContact O-CG 3.48Å; G164-M168 PolarHBondContact O-N 3.44Å
165	R	96.9	Very high	98.4	Very high	132 Å²	132	24.2 Å²	24.2	50%	0.498	14%	0.136	S	C	.	.	H	α-helix	trans	-54.6	-50.1	178	-64.3	167.2	172.4	110.2	-10	112.5	D107 T110 M168 A169	D107-R165 WeakPolarHBondContact OD1-CD 3.34Å; D107-R165 IonicContact OD1-CZ 2.74Å; D107-R165 IonicContact OD1-NE 3.43Å; D107-R165 PolarHBondContact OD1-NE 3.38Å; D107-R165 IonicContact OD1-NH2 3.98Å; D107-R165 IonicContact OD2-CZ 3.64Å; D107-R165 IonicContact OD2-NE 3.3Å; D107-R165 IonicContact OD2-NH2 3.77Å; D107-R165 PolarHBondContact OD2-NH2 3.01Å; T110-R165 HydrophobicContact CG2-CB 4.06Å; T110-R165 WeakPolarHBondContact CG2-O 3.47Å; R165-M168 PolarHBondContact O-N 3.35Å; R165-A169 PolarHBondContact O-N 2.95Å
166	I	98.4	Very high	98.3	Very high	33 Å²	33	27.3 Å²	27.3	17%	0.169	15%	0.148	C	C	.	.	H	α-helix	trans	-66.8	-46.9	179.4	-61.6	169.2	0	0	0	110.5	V85 L109 T110 T113 G164 M168 A169 I170	V85-I166 HydrophobicContact CG1-CD1 4.46Å; L109-I166 HydrophobicContact CD1-CD1 4.01Å; T110-I166 HydrophobicContact CG2-CG1 4.28Å; T113-I166 HydrophobicContact CG2-CD1 4.09Å; T113-I166 HydrophobicContact CG2-CG2 3.96Å; G164-I166 PolarHBondContact O-N 2.74Å; I166-M168 VanDerWaalsContact C-N 3.27Å; I166-M168 PolarHBondContact O-N 2.93Å; I166-A169 PolarHBondContact O-N 3.44Å; I166-A169 VanDerWaalsContact O-N 3.15Å; I166-I170 HydrophobicContact CG2-CD1 3.74Å; I166-I170 HydrophobicContact CG2-CG1 4.31Å; I166-I170 VanDerWaalsContact O-CG1 3.27Å; I166-I170 WeakPolarHBondContact O-CG1 3.38Å; I166-I170 PolarHBondContact O-N 3.26Å
167	G	98.4	Very high	98.3	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-57.6	-38	177	0	0	0	0	0	113.3	G164 A171 S216	G164-G167 PolarHBondContact O-N 3.46Å; G167-A171 WeakPolarHBondContact O-CB 3.26Å; G167-A171 PolarHBondContact O-N 2.99Å; G167-S216 WeakPolarHBondContact CA-OG 3.21Å
168	M	98.3	Very high	98.3	Very high	12 Å²	12	32.3 Å²	32.3	6%	0.059	18%	0.178	C	C	.	.	H	α-helix	trans	-66.5	-47.6	173.4	-78.2	-58.9	-69.1	0	0	112.9	L163 G164 R165 I166 I170 A171 Q172 H192 E195 V196	L163-M168 HydrophobicContact CD1-CG 4.41Å; L163-M168 HydrophobicContact CD1-SD 3.78Å; L163-M168 HydrophobicContact CD2-SD 3.53Å; L163-M168 VanDerWaalsContact CD2-SD 3.53Å; L163-M168 HydrophobicContact CG-CG 4Å; L163-M168 HydrophobicContact CG-SD 3.49Å; L163-M168 WeakPolarHBondContact CG-SD 3.26Å; G164-M168 WeakPolarHBondContact O-CB 3.44Å; G164-M168 WeakPolarHBondContact O-CG 3.48Å; G164-M168 PolarHBondContact O-N 3.44Å; R165-M168 PolarHBondContact O-N 3.35Å; I166-M168 VanDerWaalsContact C-N 3.27Å; I166-M168 PolarHBondContact O-N 2.93Å; M168-I170 PolarHBondContact O-N 3.46Å; M168-A171 PolarHBondContact O-N 2.65Å; M168-A171 VanDerWaalsContact O-N 3.15Å; M168-Q172 WeakPolarHBondContact O-CB 3.4Å; M168-Q172 WeakPolarHBondContact O-CG 3.44Å; M168-Q172 PolarHBondContact O-N 3.47Å; M168-H192 WeakPolarHBondContact CE-O 3.2Å; M168-H192 WeakPolarHBondContact CG-CD2 3.37Å; M168-H192 WeakPolarHBondContact CG-NE2 3.26Å; M168-H192 PolarHBondContact SD-CD2 3.32Å; M168-E195 HydrophobicContact CE-CB 4.09Å; M168-V196 HydrophobicContact CE-CB 4.38Å; M168-V196 HydrophobicContact CE-CG1 3.72Å; M168-V196 HydrophobicContact CE-CG2 3.79Å; M168-V196 HydrophobicContact SD-CG1 4.46Å; M168-V196 HydrophobicContact SD-CG2 3.78Å
169	A	98.8	Very high	98.3	Very high	5 Å²	5	33.2 Å²	33.2	4%	0.041	18%	0.184	C	C	.	.	H	α-helix	trans	-62.1	-34.3	178	0	0	0	0	0	112.1	T110 A114 R165 I166 R173	T110-A169 HydrophobicContact CG2-CB 3.71Å; A114-A169 HydrophobicContact CB-CB 3.57Å; R165-A169 PolarHBondContact O-N 2.95Å; I166-A169 PolarHBondContact O-N 3.44Å; I166-A169 VanDerWaalsContact O-N 3.15Å; A169-R173 WeakPolarHBondContact O-CD 3.44Å; A169-R173 VanDerWaalsContact O-CG 3.27Å; A169-R173 WeakPolarHBondContact O-CG 3.36Å; A169-R173 PolarHBondContact O-N 3.29Å; A169-R173 PolarHBondContact O-NH1 3.46Å
170	I	98.8	Very high	98.3	Very high	1 Å²	1	40.9 Å²	40.9	1%	0.005	22%	0.217	C	C	.	.	H	α-helix	trans	-64.4	-52.9	170.9	-67.9	161.8	0	0	0	110	A114 T117 V118 I166 M168 Q172 R173 L174 V214	A114-I170 HydrophobicContact CB-CG1 3.75Å; T117-I170 HydrophobicContact CG2-CD1 3.67Å; T117-I170 HydrophobicContact CG2-CG1 4.18Å; V118-I170 HydrophobicContact CG2-CG2 4.34Å; I166-I170 HydrophobicContact CG2-CD1 3.74Å; I166-I170 HydrophobicContact CG2-CG1 4.31Å; I166-I170 VanDerWaalsContact O-CG1 3.27Å; I166-I170 WeakPolarHBondContact O-CG1 3.38Å; I166-I170 PolarHBondContact O-N 3.26Å; M168-I170 PolarHBondContact O-N 3.46Å; I170-Q172 PolarHBondContact O-N 3.16Å; I170-R173 PolarHBondContact O-N 3.18Å; I170-R173 VanDerWaalsContact O-N 3.12Å; I170-L174 HydrophobicContact CG2-CD1 3.77Å; I170-L174 HydrophobicContact CG2-CG 4.32Å; I170-L174 WeakPolarHBondContact O-CG 3.36Å; I170-L174 PolarHBondContact O-N 2.98Å; I170-V214 HydrophobicContact CD1-CG1 4.1Å; I170-V214 HydrophobicContact CG2-CG1 4.32Å
171	A	98.6	Very high	98.3	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-56.8	-47.7	-178.9	0	0	0	0	0	111.8	L163 G167 M168 R173 L174 L175 L182 V196	L163-A171 HydrophobicContact CD1-CB 4.37Å; G167-A171 WeakPolarHBondContact O-CB 3.26Å; G167-A171 PolarHBondContact O-N 2.99Å; M168-A171 PolarHBondContact O-N 2.65Å; M168-A171 VanDerWaalsContact O-N 3.15Å; A171-R173 VanDerWaalsContact C-N 3.28Å; A171-R173 PolarHBondContact O-N 3.29Å; A171-L174 PolarHBondContact O-N 3.06Å; A171-L175 WeakPolarHBondContact O-CG 3.26Å; A171-L175 PolarHBondContact O-N 2.94Å; A171-L175 VanDerWaalsContact O-N 3.14Å; A171-L182 HydrophobicContact CB-CD1 3.76Å; A171-L182 HydrophobicContact CB-CD2 3.62Å; A171-L182 HydrophobicContact CB-CG 4.34Å; A171-V196 HydrophobicContact CB-CB 4.11Å; A171-V196 HydrophobicContact CB-CG1 4Å; A171-V196 HydrophobicContact CB-CG2 4.07Å
172	Q	98.6	Very high	98.3	Very high	83 Å²	83	44.2 Å²	44.2	39%	0.388	23%	0.229	S	C	.	.	H	α-helix	trans	-55.8	-41	176.5	-73.3	172.4	-17.3	0	0	112.3	M168 I170 L174 P176 V196	M168-Q172 WeakPolarHBondContact O-CB 3.4Å; M168-Q172 WeakPolarHBondContact O-CG 3.44Å; M168-Q172 PolarHBondContact O-N 3.47Å; I170-Q172 PolarHBondContact O-N 3.16Å; Q172-L174 VanDerWaalsContact C-N 3.35Å; Q172-P176 WeakPolarHBondContact O-CD 3.22Å; Q172-V196 HydrophobicContact CB-CG1 4.35Å; Q172-V196 HydrophobicContact CG-CG1 3.44Å; Q172-V196 VanDerWaalsContact CG-CG1 3.44Å
173	R	98.8	Very high	98.3	Very high	58 Å²	58	43.4 Å²	43.4	22%	0.219	22%	0.221	C	C	.	.	H	α-helix	trans	-71.6	-27.2	178	-74.9	167.1	169.6	74.7	-3.2	113.2	D111 E115 V118 A169 I170 A171 P176 F177	D111-R173 VanDerWaalsContact CB-NH2 3.32Å; D111-R173 VanDerWaalsContact CG-NH2 3.34Å; D111-R173 IonicContact OD1-CZ 2.87Å; D111-R173 IonicContact OD1-NH1 3.39Å; D111-R173 PolarHBondContact OD1-NH1 2.92Å; D111-R173 IonicContact OD1-NH2 3.72Å; D111-R173 PolarHBondContact OD1-NH2 2.93Å; E115-R173 IonicContact OE1-CZ 3.17Å; E115-R173 IonicContact OE1-NE 2.71Å; E115-R173 IonicContact OE1-NH2 3.35Å; E115-R173 PolarHBondContact OE1-NH2 3.29Å; V118-R173 HydrophobicContact CG2-CB 3.97Å; A169-R173 WeakPolarHBondContact O-CD 3.44Å; A169-R173 VanDerWaalsContact O-CG 3.27Å; A169-R173 WeakPolarHBondContact O-CG 3.36Å; A169-R173 PolarHBondContact O-N 3.29Å; A169-R173 PolarHBondContact O-NH1 3.46Å; I170-R173 PolarHBondContact O-N 3.18Å; I170-R173 VanDerWaalsContact O-N 3.12Å; A171-R173 VanDerWaalsContact C-N 3.28Å; A171-R173 PolarHBondContact O-N 3.29Å; R173-P176 WeakPolarHBondContact O-CD 3.38Å; R173-F177 VanDerWaalsContact O-CD2 3.29Å; R173-F177 WeakPolarHBondContact O-CD2 3.38Å; R173-F177 VanDerWaalsContact O-CE2 3.25Å; R173-F177 WeakPolarHBondContact O-CE2 3.41Å
174	L	98.6	Very high	98.4	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-82.9	-27.1	-179.8	-69.5	175.9	0	0	0	113.3	V118 L121 L153 V158 I170 A171 Q172 F177 V179	V118-L174 HydrophobicContact CG1-CD2 4.06Å; V118-L174 HydrophobicContact CG2-CD2 3.98Å; V118-L174 HydrophobicContact CG2-CG 4.13Å; L121-L174 HydrophobicContact CD1-CD1 4.28Å; L121-L174 HydrophobicContact CD1-CD2 4.29Å; L153-L174 HydrophobicContact CD1-CD2 3.93Å; L153-L174 HydrophobicContact CD2-CD2 4.32Å; V158-L174 HydrophobicContact CG1-CD1 3.84Å; I170-L174 HydrophobicContact CG2-CD1 3.77Å; I170-L174 HydrophobicContact CG2-CG 4.32Å; I170-L174 WeakPolarHBondContact O-CG 3.36Å; I170-L174 PolarHBondContact O-N 2.98Å; A171-L174 PolarHBondContact O-N 3.06Å; Q172-L174 VanDerWaalsContact C-N 3.35Å; L174-F177 WeakPolarHBondContact O-CB 3.42Å; L174-F177 PolarHBondContact O-N 3.41Å; L174-V179 HydrophobicContact CB-CG2 4.23Å; L174-V179 WeakPolarHBondContact O-CG2 3.42Å
175	L	97.2	Very high	98.5	Very high	57 Å²	57	42.2 Å²	42.2	30%	0.298	21%	0.207	S	C	.	.	G	3₁₀ helix	trans	-53.2	-46.2	-178.6	-67.8	173.6	0	0	0	113.9	A171 F177 G178 V196	A171-L175 WeakPolarHBondContact O-CG 3.26Å; A171-L175 PolarHBondContact O-N 2.94Å; A171-L175 VanDerWaalsContact O-N 3.14Å; L175-F177 PolarHBondContact O-N 3.28Å; L175-F177 VanDerWaalsContact O-N 3.08Å; L175-G178 PolarHBondContact O-N 2.9Å; L175-V196 HydrophobicContact CD1-CB 4.07Å; L175-V196 HydrophobicContact CD1-CG1 4.11Å
176	P	98.4	Very high	98.5	Very high	113 Å²	113	38.2 Å²	38.2	73%	0.734	21%	0.207	S	C	*	.	G	3₁₀ helix	trans	-65.8	-11.8	-179.6	-21.2	34.9	0	0	0	114.6	Q172 R173 G178	Q172-P176 WeakPolarHBondContact O-CD 3.22Å; R173-P176 WeakPolarHBondContact O-CD 3.38Å; P176-G178 PolarHBondContact O-N 3.39Å
177	F	98.7	Very high	98.3	Very high	88 Å²	88	47.6 Å²	47.6	39%	0.386	24%	0.24	S	C	.	.	G	3₁₀ helix	trans	-77.7	1.4	172.8	-68.4	-98.7	0	0	0	113.1	V118 L122 L153 S154 R173 L174 L175	V118-F177 HydrophobicContact CG1-CE2 4.38Å; V118-F177 HydrophobicContact CG1-CZ 4.46Å; L122-F177 HydrophobicContact CD1-CE1 3.9Å; L122-F177 HydrophobicContact CD1-CZ 3.85Å; L122-F177 HydrophobicContact CD2-CD1 4.29Å; L122-F177 HydrophobicContact CD2-CE1 3.85Å; L122-F177 HydrophobicContact CD2-CZ 4.48Å; L122-F177 HydrophobicContact CG-CE1 4.49Å; L153-F177 HydrophobicContact CB-CB 3.72Å; L153-F177 HydrophobicContact CD1-CB 3.73Å; L153-F177 HydrophobicContact CD1-CD1 3.72Å; L153-F177 HydrophobicContact CD1-CD2 4.37Å; L153-F177 HydrophobicContact CD1-CE1 4.42Å; L153-F177 HydrophobicContact CD1-CG 3.68Å; L153-F177 HydrophobicContact CG-CB 4.36Å; S154-F177 WeakPolarHBondContact CA-O 3.01Å; S154-F177 PolarHBondContact N-O 3.47Å; R173-F177 VanDerWaalsContact O-CD2 3.29Å; R173-F177 WeakPolarHBondContact O-CD2 3.38Å; R173-F177 VanDerWaalsContact O-CE2 3.25Å; R173-F177 WeakPolarHBondContact O-CE2 3.41Å; L174-F177 WeakPolarHBondContact O-CB 3.42Å; L174-F177 PolarHBondContact O-N 3.41Å; L175-F177 PolarHBondContact O-N 3.28Å; L175-F177 VanDerWaalsContact O-N 3.08Å
178	G	98.4	Very high	98.2	Very high	35 Å²	35	51.3 Å²	51.3	36%	0.361	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	83.7	28.7	178.2	0	0	0	0	0	113.5	G155 L175 P176 K180	G155-G178 PolarHBondContact N-O 3.35Å; L175-G178 PolarHBondContact O-N 2.9Å; P176-G178 PolarHBondContact O-N 3.39Å; G178-K180 PolarHBondContact O-N 3.48Å
179	V	98.7	Very high	98.1	Very high	19 Å²	19	53.6 Å²	53.6	12%	0.115	28%	0.283	C	S	.	.			trans	-58.1	127.5	173.3	171.8	0	0	0	0	109.3	L153 V158 L174 R181	L153-V179 HydrophobicContact CD2-CG2 4.21Å; V158-V179 HydrophobicContact CB-CG1 4.18Å; V158-V179 HydrophobicContact CG2-CB 4.4Å; V158-V179 HydrophobicContact CG2-CG1 3.78Å; V158-V179 HydrophobicContact CG2-CG2 3.66Å; L174-V179 HydrophobicContact CB-CG2 4.23Å; L174-V179 WeakPolarHBondContact O-CG2 3.42Å; V179-R181 VanDerWaalsContact CG1-O 3.27Å; V179-R181 WeakPolarHBondContact CG1-O 3.29Å
180	K	98.6	Very high	97.9	Very high	160 Å²	160	56.9 Å²	56.9	70%	0.696	30%	0.297	S	S	*	.	S	Bend	trans	-81.2	-41.1	-177.8	-175.7	-175.3	175.5	-178.7	0	112	G155 S156 G178	G155-K180 WeakPolarHBondContact O-CB 3.42Å; S156-K180 WeakPolarHBondContact O-CB 3.23Å; S156-K180 PolarHBondContact O-N 3.45Å; G178-K180 PolarHBondContact O-N 3.48Å
181	R	98.7	Very high	97.6	Very high	73 Å²	73	61.7 Å²	61.7	28%	0.275	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	135.7	-178	-71.2	179	68.2	-148.7	5.4	110.4	S156 T157 V158 V179 E199 E209	S156-R181 PolarHBondContact O-N 3.21Å; T157-R181 WeakPolarHBondContact CA-O 3.26Å; T157-R181 HydrophobicContact CG2-CB 3.99Å; V158-R181 PolarHBondContact N-O 3.29Å; V179-R181 VanDerWaalsContact CG1-O 3.27Å; V179-R181 WeakPolarHBondContact CG1-O 3.29Å; R181-E199 IonicContact CZ-OE2 3.9Å; R181-E199 IonicContact NE-OE1 2.71Å; R181-E199 PolarHBondContact NE-OE1 2.95Å; R181-E199 IonicContact NE-OE2 3.12Å; R181-E199 IonicContact NH2-OE1 2.81Å; R181-E199 IonicContact NH2-OE2 2.87Å; R181-E199 PolarHBondContact NH2-OE2 3.17Å; R181-E209 IonicContact CZ-OE2 2.75Å; R181-E209 VanDerWaalsContact CZ-OE2 3.32Å; R181-E209 IonicContact NH1-OE2 3.25Å; R181-E209 PolarHBondContact NH1-OE2 2.89Å; R181-E209 IonicContact NH2-OE2 3.6Å; R181-E209 PolarHBondContact NH2-OE2 3.35Å
182	L	98.8	Very high	97.3	Very high	5 Å²	5	64.9 Å²	64.9	3%	0.026	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	112.6	172.6	-168.3	97.1	0	0	0	108.7	V158 V160 A171 V196 G198 E199	V158-L182 HydrophobicContact CB-CD1 4.25Å; V158-L182 HydrophobicContact CG1-CD1 4.33Å; V158-L182 CarbonylContact O-C 3.52Å; V158-L182 WeakPolarHBondContact O-CA 3.34Å; V160-L182 HydrophobicContact CG2-CD1 4.42Å; A171-L182 HydrophobicContact CB-CD1 3.76Å; A171-L182 HydrophobicContact CB-CD2 3.62Å; A171-L182 HydrophobicContact CB-CG 4.34Å; L182-V196 HydrophobicContact CD2-CB 3.9Å; L182-V196 HydrophobicContact CD2-CG2 3.37Å; L182-G198 WeakPolarHBondContact O-CA 3.37Å; L182-E199 PolarHBondContact O-N 3.05Å
183	L	98.9	Very high	97.2	Very high	0 Å²	0	61.1 Å²	61.1	0%	0	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100	148.8	175.1	-51.6	-175.8	0	0	0	109.2	T157 V158 G159 V160 E199 V201 L206 E209	T157-L183 HydrophobicContact CG2-CD1 3.7Å; T157-L183 HydrophobicContact CG2-CG 3.78Å; V158-L183 PolarHBondContact O-N 3.15Å; G159-L183 CarbonylContact C-O 3.47Å; G159-L183 WeakPolarHBondContact CA-O 3.36Å; V160-L183 PolarHBondContact N-O 3.23Å; L183-E199 HydrophobicContact CD2-CB 3.83Å; L183-E199 HydrophobicContact CD2-CG 4.35Å; L183-V201 HydrophobicContact CB-CG2 4.01Å; L183-V201 HydrophobicContact CD1-CG2 4.48Å; L183-V201 HydrophobicContact CD2-CG1 4.39Å; L183-L206 HydrophobicContact CB-CD1 4.41Å; L183-L206 HydrophobicContact CB-CG 4.23Å; L183-E209 HydrophobicContact CD1-CB 3.79Å
184	Y	98.8	Very high	97.1	Very high	8 Å²	8	62 Å²	62	3%	0.031	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	150.8	167.7	77.3	-79.1	0	0	0	113	V160 L163 A189 K190 A193 E199 F200 V201	V160-Y184 WeakPolarHBondContact O-CA 3.46Å; V160-Y184 WeakPolarHBondContact O-CB 3.38Å; L163-Y184 HydrophobicContact CB-CD2 3.5Å; L163-Y184 HydrophobicContact CB-CE2 4.18Å; L163-Y184 HydrophobicContact CB-CG 3.84Å; L163-Y184 HydrophobicContact CD2-CD1 3.75Å; L163-Y184 HydrophobicContact CD2-CD2 3.8Å; L163-Y184 HydrophobicContact CD2-CE1 3.99Å; L163-Y184 HydrophobicContact CD2-CE2 4.04Å; L163-Y184 HydrophobicContact CD2-CG 3.63Å; L163-Y184 HydrophobicContact CG-CD2 4.27Å; L163-Y184 HydrophobicContact CG-CG 4.23Å; Y184-A189 WeakPolarHBondContact OH-CA 3.04Å; Y184-K190 HydrophobicContact CE2-CB 4.3Å; Y184-K190 HydrophobicContact CE2-CG 4.01Å; Y184-K190 PolarHBondContact OH-N 3.09Å; Y184-A193 HydrophobicContact CD1-CB 4.38Å; Y184-A193 HydrophobicContact CE1-CB 3.51Å; Y184-A193 WeakPolarHBondContact OH-CB 3.43Å; Y184-E199 VanDerWaalsContact CD1-O 3.29Å; Y184-E199 WeakPolarHBondContact CD1-O 3.36Å; Y184-E199 PolarHBondContact N-O 2.74Å; Y184-F200 HydrophobicContact CD1-CB 4.45Å; Y184-F200 AromaticContact CD2-CD2 3.78Å; Y184-F200 HydrophobicContact CD2-CD2 3.78Å; Y184-F200 HydrophobicContact CD2-CE2 4.46Å; Y184-F200 HydrophobicContact CE1-CB 3.7Å; Y184-F200 HydrophobicContact CE1-CD2 4.36Å; Y184-F200 VanDerWaalsContact CE1-N 3.34Å; Y184-F200 HydrophobicContact CE2-CB 4.14Å; Y184-F200 AromaticContact CE2-CD2 3.35Å; Y184-F200 HydrophobicContact CE2-CD2 3.35Å; Y184-F200 HydrophobicContact CE2-CE2 4.13Å; Y184-F200 HydrophobicContact CE2-CG 4.09Å; Y184-F200 HydrophobicContact CG-CD2 4.46Å; Y184-F200 AromaticContact CZ-CD2 3.7Å; Y184-F200 AromaticContact CZ-CG 3.96Å; Y184-V201 PolarHBondContact O-N 3.44Å
185	A	98.4	Very high	97	Very high	5 Å²	5	68.2 Å²	68.2	4%	0.041	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	153.6	177	0	0	0	0	0	110.8	V160 G162 L203 L206	V160-A185 PolarHBondContact O-N 3.3Å; V160-A185 VanDerWaalsContact O-N 3.13Å; G162-A185 PolarHBondContact N-O 3.33Å; A185-L203 HydrophobicContact CB-CB 4.45Å; A185-L203 HydrophobicContact CB-CD1 4.11Å; A185-L206 HydrophobicContact CB-CD1 3.69Å
186	G	96.8	Very high	97	Very high	48 Å²	48	65.5 Å²	65.5	50%	0.495	37%	0.369	S	S	.	.	S	Bend	trans	169.4	-174.4	-178.9	0	0	0	0	0	110.1	T188 F200	G186-T188 VanDerWaalsContact C-N 3.32Å; G186-T188 PolarHBondContact O-N 3.01Å; G186-F200 WeakPolarHBondContact O-CE2 3.26Å; G186-F200 WeakPolarHBondContact O-CZ 3.35Å
187	R	94.8	Very high	96.9	Very high	230 Å²	230	66.3 Å²	66.3	87%	0.868	37%	0.367	S	S	*	.	S	Bend	trans	-63.3	-36.6	-178.4	-67.8	179.4	-71.2	176.3	-3	113.5
188	T	96	Very high	96.9	Very high	78 Å²	78	62.9 Å²	62.9	48%	0.479	36%	0.356	S	S	.	.	S	Bend	trans	-146.6	149.9	-175.7	57.6	0	0	0	0	110.9	G186 K190	G186-T188 VanDerWaalsContact C-N 3.32Å; G186-T188 PolarHBondContact O-N 3.01Å; T188-K190 WeakPolarHBondContact O-CE 3.2Å; T188-K190 PolarHBondContact OG1-NZ 3.43Å
189	A	96.5	Very high	96.9	Very high	59 Å²	59	64.8 Å²	64.8	49%	0.488	36%	0.356	S	S	.	.			trans	-56.7	149.1	168.5	0	0	0	0	0	110.9	Y184 F200	Y184-A189 WeakPolarHBondContact OH-CA 3.04Å; A189-F200 HydrophobicContact CB-CB 4.15Å; A189-F200 HydrophobicContact CB-CD1 3.69Å; A189-F200 HydrophobicContact CB-CE1 4.2Å; A189-F200 HydrophobicContact CB-CG 3.87Å
190	K	94.4	Very high	96.9	Very high	75 Å²	75	68.1 Å²	68.1	33%	0.326	37%	0.369	S	S	.	.			trans	-112.5	127.7	-178.8	-58.5	-53.5	177.1	-161.7	0	110	Y184 T188 H192 A193	Y184-K190 HydrophobicContact CE2-CB 4.3Å; Y184-K190 HydrophobicContact CE2-CG 4.01Å; Y184-K190 PolarHBondContact OH-N 3.09Å; T188-K190 WeakPolarHBondContact O-CE 3.2Å; T188-K190 PolarHBondContact OG1-NZ 3.43Å; K190-H192 PolarHBondContact O-N 2.93Å; K190-A193 HydrophobicContact CB-CB 4.34Å; K190-A193 WeakPolarHBondContact O-CB 3.49Å; K190-A193 PolarHBondContact O-N 3.36Å; K190-A193 VanDerWaalsContact O-N 3.07Å
191	A	93.5	Very high	96.9	Very high	102 Å²	102	61.5 Å²	61.5	84%	0.843	34%	0.342	S	S	*	.	G	3₁₀ helix	trans	-59	-38.6	178.3	0	0	0	0	0	111.9	A193	A191-A193 PolarHBondContact O-N 3.09Å
192	H	92.3	Very high	96.9	Very high	67 Å²	67	62.3 Å²	62.3	31%	0.31	36%	0.356	S	S	.	.	G	3₁₀ helix	trans	-72.5	-6.3	178.8	59.1	-102.2	0	0	0	114.2	L163 M168 K190 A194 E195	L163-H192 PolarHBondContact O-NE2 2.95Å; M168-H192 WeakPolarHBondContact CE-O 3.2Å; M168-H192 WeakPolarHBondContact CG-CD2 3.37Å; M168-H192 WeakPolarHBondContact CG-NE2 3.26Å; M168-H192 PolarHBondContact SD-CD2 3.32Å; K190-H192 PolarHBondContact O-N 2.93Å; H192-A194 PolarHBondContact O-N 2.97Å; H192-E195 WeakPolarHBondContact O-CB 3.47Å; H192-E195 PolarHBondContact O-N 3.17Å
193	A	96.4	Very high	96.9	Very high	3 Å²	3	64.4 Å²	64.4	3%	0.025	37%	0.368	C	S	.	.	G	3₁₀ helix	trans	-63.4	-24.9	178.2	0	0	0	0	0	113.2	L163 Y184 K190 A191 E195 V196 N197 G198	L163-A193 HydrophobicContact CD2-CB 3.61Å; Y184-A193 HydrophobicContact CD1-CB 4.38Å; Y184-A193 HydrophobicContact CE1-CB 3.51Å; Y184-A193 WeakPolarHBondContact OH-CB 3.43Å; K190-A193 HydrophobicContact CB-CB 4.34Å; K190-A193 WeakPolarHBondContact O-CB 3.49Å; K190-A193 PolarHBondContact O-N 3.36Å; K190-A193 VanDerWaalsContact O-N 3.07Å; A191-A193 PolarHBondContact O-N 3.09Å; A193-E195 PolarHBondContact O-N 2.99Å; A193-V196 VanDerWaalsContact O-CG2 3.27Å; A193-V196 WeakPolarHBondContact O-CG2 3.34Å; A193-V196 PolarHBondContact O-N 3.38Å; A193-V196 VanDerWaalsContact O-N 3.15Å; A193-N197 PolarHBondContact O-N 3.11Å; A193-G198 PolarHBondContact O-N 2.88Å
194	A	96	Very high	96.9	Very high	76 Å²	76	68.6 Å²	68.6	63%	0.628	39%	0.39	S	S	*	.	G	3₁₀ helix	trans	-61	-28.9	177.8	0	0	0	0	0	112.8	H192 V196 N197	H192-A194 PolarHBondContact O-N 2.97Å; A194-V196 PolarHBondContact O-N 3.13Å; A194-V196 VanDerWaalsContact O-N 3.15Å; A194-N197 PolarHBondContact O-N 3.45Å; A194-N197 VanDerWaalsContact O-N 3.13Å
195	E	96.6	Very high	96.9	Very high	131 Å²	131	70.2 Å²	70.2	61%	0.612	40%	0.401	S	S	*	.	G	3₁₀ helix	trans	-61.9	-22.9	178	-63.6	173.5	-151.6	0	0	113.1	M168 H192 A193	M168-E195 HydrophobicContact CE-CB 4.09Å; H192-E195 WeakPolarHBondContact O-CB 3.47Å; H192-E195 PolarHBondContact O-N 3.17Å; A193-E195 PolarHBondContact O-N 2.99Å
196	V	97.4	Very high	96.9	Very high	0 Å²	0	70 Å²	70	0%	0	40%	0.399	C	S	.	.	G	3₁₀ helix	trans	-117.6	13.3	179.2	-63	0	0	0	0	112.8	M168 A171 Q172 L175 L182 A193 A194 G198	M168-V196 HydrophobicContact CE-CB 4.38Å; M168-V196 HydrophobicContact CE-CG1 3.72Å; M168-V196 HydrophobicContact CE-CG2 3.79Å; M168-V196 HydrophobicContact SD-CG1 4.46Å; M168-V196 HydrophobicContact SD-CG2 3.78Å; A171-V196 HydrophobicContact CB-CB 4.11Å; A171-V196 HydrophobicContact CB-CG1 4Å; A171-V196 HydrophobicContact CB-CG2 4.07Å; Q172-V196 HydrophobicContact CB-CG1 4.35Å; Q172-V196 HydrophobicContact CG-CG1 3.44Å; Q172-V196 VanDerWaalsContact CG-CG1 3.44Å; L175-V196 HydrophobicContact CD1-CB 4.07Å; L175-V196 HydrophobicContact CD1-CG1 4.11Å; L182-V196 HydrophobicContact CD2-CB 3.9Å; L182-V196 HydrophobicContact CD2-CG2 3.37Å; A193-V196 VanDerWaalsContact O-CG2 3.27Å; A193-V196 WeakPolarHBondContact O-CG2 3.34Å; A193-V196 PolarHBondContact O-N 3.38Å; A193-V196 VanDerWaalsContact O-N 3.15Å; A194-V196 PolarHBondContact O-N 3.13Å; A194-V196 VanDerWaalsContact O-N 3.15Å; V196-G198 PolarHBondContact O-N 2.9Å
197	N	97.2	Very high	97	Very high	130 Å²	130	67.8 Å²	67.8	70%	0.695	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.4	39	-172.3	-57.4	-59.1	0	0	0	112.6	A193 A194	A193-N197 PolarHBondContact O-N 3.11Å; A194-N197 PolarHBondContact O-N 3.45Å; A194-N197 VanDerWaalsContact O-N 3.13Å
198	G	98.1	Very high	97.2	Very high	16 Å²	16	59.4 Å²	59.4	17%	0.165	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	126.6	-177.2	0	0	0	0	0	112.9	L182 A193 V196	L182-G198 WeakPolarHBondContact O-CA 3.37Å; A193-G198 PolarHBondContact O-N 2.88Å; V196-G198 PolarHBondContact O-N 2.9Å
199	E	98.5	Very high	97.3	Very high	76 Å²	76	58.9 Å²	58.9	36%	0.355	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	117.7	175.3	-61.9	171.4	-137.9	0	0	109.9	R181 L182 L183 Y184 V201	R181-E199 IonicContact CZ-OE2 3.9Å; R181-E199 IonicContact NE-OE1 2.71Å; R181-E199 PolarHBondContact NE-OE1 2.95Å; R181-E199 IonicContact NE-OE2 3.12Å; R181-E199 IonicContact NH2-OE1 2.81Å; R181-E199 IonicContact NH2-OE2 2.87Å; R181-E199 PolarHBondContact NH2-OE2 3.17Å; L182-E199 PolarHBondContact O-N 3.05Å; L183-E199 HydrophobicContact CD2-CB 3.83Å; L183-E199 HydrophobicContact CD2-CG 4.35Å; Y184-E199 VanDerWaalsContact CD1-O 3.29Å; Y184-E199 WeakPolarHBondContact CD1-O 3.36Å; Y184-E199 PolarHBondContact N-O 2.74Å; E199-V201 HydrophobicContact CB-CG1 4.34Å; E199-V201 PolarHBondContact O-N 3.04Å
200	F	98.6	Very high	97.4	Very high	88 Å²	88	56 Å²	56	39%	0.386	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	119.4	173.9	-173.5	-124.6	0	0	0	109.9	Y184 G186 A189	Y184-F200 HydrophobicContact CD1-CB 4.45Å; Y184-F200 AromaticContact CD2-CD2 3.78Å; Y184-F200 HydrophobicContact CD2-CD2 3.78Å; Y184-F200 HydrophobicContact CD2-CE2 4.46Å; Y184-F200 HydrophobicContact CE1-CB 3.7Å; Y184-F200 HydrophobicContact CE1-CD2 4.36Å; Y184-F200 VanDerWaalsContact CE1-N 3.34Å; Y184-F200 HydrophobicContact CE2-CB 4.14Å; Y184-F200 AromaticContact CE2-CD2 3.35Å; Y184-F200 HydrophobicContact CE2-CD2 3.35Å; Y184-F200 HydrophobicContact CE2-CE2 4.13Å; Y184-F200 HydrophobicContact CE2-CG 4.09Å; Y184-F200 HydrophobicContact CG-CD2 4.46Å; Y184-F200 AromaticContact CZ-CD2 3.7Å; Y184-F200 AromaticContact CZ-CG 3.96Å; G186-F200 WeakPolarHBondContact O-CE2 3.26Å; G186-F200 WeakPolarHBondContact O-CZ 3.35Å; A189-F200 HydrophobicContact CB-CB 4.15Å; A189-F200 HydrophobicContact CB-CD1 3.69Å; A189-F200 HydrophobicContact CB-CE1 4.2Å; A189-F200 HydrophobicContact CB-CG 3.87Å
201	V	98.8	Very high	97.6	Very high	21 Å²	21	54.2 Å²	54.2	13%	0.127	32%	0.315	C	S	.	.			trans	-135	159.8	-176	-62.1	0	0	0	0	111.5	L183 Y184 E199 T205 L206	L183-V201 HydrophobicContact CB-CG2 4.01Å; L183-V201 HydrophobicContact CD1-CG2 4.48Å; L183-V201 HydrophobicContact CD2-CG1 4.39Å; Y184-V201 PolarHBondContact O-N 3.44Å; E199-V201 HydrophobicContact CB-CG1 4.34Å; E199-V201 PolarHBondContact O-N 3.04Å; V201-T205 HydrophobicContact CB-CG2 4.06Å; V201-T205 HydrophobicContact CG1-CG2 4.29Å; V201-T205 HydrophobicContact CG2-CG2 4.35Å; V201-L206 HydrophobicContact CG2-CB 3.85Å
202	P	98.5	Very high	97.9	Very high	90 Å²	90	49.5 Å²	49.5	58%	0.584	28%	0.276	S	S	*	.			trans	-56.1	149.3	166.5	-23.6	34.9	0	0	0	111.6	D204 T205 L206	P202-D204 VanDerWaalsContact C-N 3.27Å; P202-D204 PolarHBondContact O-N 2.89Å; P202-T205 WeakPolarHBondContact O-CB 3.28Å; P202-T205 PolarHBondContact O-N 3.03Å; P202-T205 VanDerWaalsContact O-N 3.11Å; P202-L206 PolarHBondContact O-N 2.68Å; P202-L206 VanDerWaalsContact O-N 3.09Å
203	L	98.5	Very high	98.2	Very high	50 Å²	50	46.3 Å²	46.3	26%	0.262	26%	0.261	S	S	.	.	H	α-helix	trans	-55.4	-43.2	-179.3	-177.3	64.5	0	0	0	112	I161 A185 T205 L206 V207 L226 F231	I161-L203 HydrophobicContact CD1-CD1 3.71Å; I161-L203 HydrophobicContact CG1-CD1 4.07Å; A185-L203 HydrophobicContact CB-CB 4.45Å; A185-L203 HydrophobicContact CB-CD1 4.11Å; L203-T205 VanDerWaalsContact C-N 3.32Å; L203-T205 PolarHBondContact O-N 2.87Å; L203-L206 WeakPolarHBondContact O-CB 3.4Å; L203-L206 PolarHBondContact O-N 2.86Å; L203-L206 VanDerWaalsContact O-N 3.17Å; L203-V207 HydrophobicContact CD1-CG2 4.11Å; L203-V207 HydrophobicContact CG-CG2 4.21Å; L203-V207 VanDerWaalsContact O-CG2 3.26Å; L203-V207 WeakPolarHBondContact O-CG2 3.01Å; L203-V207 PolarHBondContact O-N 3.07Å; L203-L226 HydrophobicContact CD2-CD1 3.64Å; L203-L226 HydrophobicContact CD2-CD2 4.42Å; L203-L226 HydrophobicContact CD2-CG 4.16Å; L203-F231 HydrophobicContact CD1-CE2 4.26Å
204	D	98.3	Very high	98.3	Very high	87 Å²	87	46.2 Å²	46.2	47%	0.465	26%	0.26	S	S	.	.	H	α-helix	trans	-58.2	-43.4	178.5	-83.5	6.6	0	0	0	112.7	P202 V207 S208 K234	P202-D204 VanDerWaalsContact C-N 3.27Å; P202-D204 PolarHBondContact O-N 2.89Å; D204-V207 PolarHBondContact O-N 3.32Å; D204-S208 WeakPolarHBondContact O-CB 3.46Å; D204-S208 PolarHBondContact O-N 3.36Å; D204-S208 PolarHBondContact O-OG 3.17Å; D204-S208 VanDerWaalsContact O-OG 3.09Å; D204-K234 IonicContact OD1-NZ 2.65Å; D204-K234 PolarHBondContact OD1-NZ 3.49Å; D204-K234 IonicContact OD2-NZ 3.55Å; D204-K234 PolarHBondContact OD2-NZ 3.19Å
205	T	98.8	Very high	98.5	Very high	43 Å²	43	42.6 Å²	42.6	26%	0.264	23%	0.23	S	C	.	.	H	α-helix	trans	-60.9	-49.6	175.2	-56.6	0	0	0	0	110.4	V201 P202 L203 V207 S208 E209	V201-T205 HydrophobicContact CB-CG2 4.06Å; V201-T205 HydrophobicContact CG1-CG2 4.29Å; V201-T205 HydrophobicContact CG2-CG2 4.35Å; P202-T205 WeakPolarHBondContact O-CB 3.28Å; P202-T205 PolarHBondContact O-N 3.03Å; P202-T205 VanDerWaalsContact O-N 3.11Å; L203-T205 VanDerWaalsContact C-N 3.32Å; L203-T205 PolarHBondContact O-N 2.87Å; T205-V207 VanDerWaalsContact C-N 3.34Å; T205-V207 PolarHBondContact O-N 2.87Å; T205-S208 PolarHBondContact O-N 3.02Å; T205-S208 PolarHBondContact O-OG 2.96Å; T205-S208 VanDerWaalsContact O-OG 3.05Å; T205-E209 HydrophobicContact CG2-CG 4.33Å; T205-E209 WeakPolarHBondContact CG2-OE1 3.36Å; T205-E209 WeakPolarHBondContact O-CB 3.13Å; T205-E209 WeakPolarHBondContact O-CG 3.31Å; T205-E209 PolarHBondContact O-N 3.42Å
206	L	98.8	Very high	98.5	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-53.9	-50.7	177.8	-176.3	154.9	0	0	0	111.5	I161 L183 A185 V201 P202 L203 S210 V213	I161-L206 HydrophobicContact CD1-CD2 4.49Å; I161-L206 HydrophobicContact CG1-CD1 4.42Å; I161-L206 HydrophobicContact CG1-CD2 4.07Å; L183-L206 HydrophobicContact CB-CD1 4.41Å; L183-L206 HydrophobicContact CB-CG 4.23Å; A185-L206 HydrophobicContact CB-CD1 3.69Å; V201-L206 HydrophobicContact CG2-CB 3.85Å; P202-L206 PolarHBondContact O-N 2.68Å; P202-L206 VanDerWaalsContact O-N 3.09Å; L203-L206 WeakPolarHBondContact O-CB 3.4Å; L203-L206 PolarHBondContact O-N 2.86Å; L203-L206 VanDerWaalsContact O-N 3.17Å; L206-S210 VanDerWaalsContact O-CB 3.23Å; L206-S210 WeakPolarHBondContact O-CB 3.46Å; L206-S210 PolarHBondContact O-N 3.48Å; L206-S210 VanDerWaalsContact O-N 3.12Å; L206-S210 PolarHBondContact O-OG 3.32Å; L206-V213 HydrophobicContact CD2-CG1 4.1Å; L206-V213 HydrophobicContact CD2-CG2 4.34Å
207	V	98.6	Very high	98.6	Very high	1 Å²	1	38.2 Å²	38.2	1%	0.006	21%	0.213	C	C	.	.	H	α-helix	trans	-65.4	-41.6	-175.5	176.5	0	0	0	0	111.6	L203 D204 T205 F231 K234 M235	L203-V207 HydrophobicContact CD1-CG2 4.11Å; L203-V207 HydrophobicContact CG-CG2 4.21Å; L203-V207 VanDerWaalsContact O-CG2 3.26Å; L203-V207 WeakPolarHBondContact O-CG2 3.01Å; L203-V207 PolarHBondContact O-N 3.07Å; D204-V207 PolarHBondContact O-N 3.32Å; T205-V207 VanDerWaalsContact C-N 3.34Å; T205-V207 PolarHBondContact O-N 2.87Å; V207-F231 HydrophobicContact CG1-CD1 4.5Å; V207-F231 HydrophobicContact CG1-CD2 4.45Å; V207-F231 HydrophobicContact CG1-CE2 4.49Å; V207-F231 HydrophobicContact CG1-CG 4.46Å; V207-F231 VanDerWaalsContact CG1-O 3.26Å; V207-F231 WeakPolarHBondContact CG1-O 3.4Å; V207-F231 HydrophobicContact CG2-CD2 3.63Å; V207-F231 HydrophobicContact CG2-CE1 4.45Å; V207-F231 HydrophobicContact CG2-CE2 3.23Å; V207-F231 HydrophobicContact CG2-CG 4.39Å; V207-F231 HydrophobicContact CG2-CZ 3.71Å; V207-K234 HydrophobicContact CG1-CB 3.79Å; V207-M235 HydrophobicContact CG1-CB 4.45Å; V207-M235 HydrophobicContact CG1-CG 3.48Å; V207-M235 VanDerWaalsContact CG1-CG 3.48Å
208	S	98.7	Very high	98.6	Very high	55 Å²	55	35.6 Å²	35.6	39%	0.385	21%	0.205	S	C	.	.	H	α-helix	trans	-73.4	-31.2	-179.2	68.6	0	0	0	0	114.4	D204 T205 K234 K236	D204-S208 WeakPolarHBondContact O-CB 3.46Å; D204-S208 PolarHBondContact O-N 3.36Å; D204-S208 PolarHBondContact O-OG 3.17Å; D204-S208 VanDerWaalsContact O-OG 3.09Å; T205-S208 PolarHBondContact O-N 3.02Å; T205-S208 PolarHBondContact O-OG 2.96Å; T205-S208 VanDerWaalsContact O-OG 3.05Å; S208-K234 WeakPolarHBondContact CA-O 3.41Å; S208-K236 WeakPolarHBondContact O-CE 3.44Å
209	E	98.9	Very high	98.6	Very high	66 Å²	66	36.7 Å²	36.7	31%	0.308	21%	0.207	S	C	.	.	H	α-helix	trans	-95.5	-17.9	-173.2	-67.6	-171.8	-167	0	0	113.6	T157 R181 L183 T205 K236	T157-E209 WeakPolarHBondContact CB-O 3.33Å; R181-E209 IonicContact CZ-OE2 2.75Å; R181-E209 VanDerWaalsContact CZ-OE2 3.32Å; R181-E209 IonicContact NH1-OE2 3.25Å; R181-E209 PolarHBondContact NH1-OE2 2.89Å; R181-E209 IonicContact NH2-OE2 3.6Å; R181-E209 PolarHBondContact NH2-OE2 3.35Å; L183-E209 HydrophobicContact CD1-CB 3.79Å; T205-E209 HydrophobicContact CG2-CG 4.33Å; T205-E209 WeakPolarHBondContact CG2-OE1 3.36Å; T205-E209 WeakPolarHBondContact O-CB 3.13Å; T205-E209 WeakPolarHBondContact O-CG 3.31Å; T205-E209 PolarHBondContact O-N 3.42Å; E209-K236 VanDerWaalsContact C-CE 3.46Å; E209-K236 WeakPolarHBondContact O-CE 3.31Å; E209-K236 PolarHBondContact O-NZ 2.74Å
210	S	98.9	Very high	98.5	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	20%	0.203	C	C	.	.			trans	-79.4	138.5	-175.7	-59.9	0	0	0	0	113.3	G159 L206 F212	G159-S210 VanDerWaalsContact CA-OG 3.25Å; G159-S210 WeakPolarHBondContact CA-OG 3.25Å; G159-S210 PolarHBondContact N-OG 3.22Å; G159-S210 VanDerWaalsContact N-OG 3.17Å; L206-S210 VanDerWaalsContact O-CB 3.23Å; L206-S210 WeakPolarHBondContact O-CB 3.46Å; L206-S210 PolarHBondContact O-N 3.48Å; L206-S210 VanDerWaalsContact O-N 3.12Å; L206-S210 PolarHBondContact O-OG 3.32Å; S210-F212 WeakPolarHBondContact CB-O 3.44Å
211	D	98.9	Very high	98.3	Very high	37 Å²	37	36.3 Å²	36.3	20%	0.198	22%	0.219	C	C	.	.	S	Bend	trans	-86.6	-26.7	164.9	-54	-55.4	0	0	0	110.7	S156 T157 K236 A239 V240	S156-D211 WeakPolarHBondContact CA-OD2 3.41Å; T157-D211 PolarHBondContact N-OD2 2.91Å; T157-D211 PolarHBondContact O-N 2.77Å; D211-K236 WeakPolarHBondContact OD1-CD 3.37Å; D211-K236 IonicContact OD1-NZ 2.74Å; D211-K236 PolarHBondContact OD1-NZ 3.12Å; D211-K236 IonicContact OD2-NZ 3.4Å; D211-A239 CarbonylContact O-C 3.51Å; D211-A239 WeakPolarHBondContact O-CA 3.39Å; D211-V240 PolarHBondContact O-N 2.97Å
212	F	98.9	Very high	98.2	Very high	3 Å²	3	41.9 Å²	41.9	1%	0.013	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	127.5	173.8	-58.8	-89.4	0	0	0	109.5	L121 A125 G152 L153 T157 V158 G159 S210 V240	L121-F212 HydrophobicContact CD1-CB 4.35Å; L121-F212 HydrophobicContact CD1-CD1 4.26Å; L121-F212 HydrophobicContact CD2-CD1 4.09Å; L121-F212 HydrophobicContact CD2-CE1 4.24Å; L121-F212 HydrophobicContact CG-CD1 4.18Å; A125-F212 HydrophobicContact CB-CE1 3.72Å; A125-F212 HydrophobicContact CB-CZ 4.48Å; G152-F212 WeakPolarHBondContact O-CE2 3.31Å; L153-F212 HydrophobicContact CD2-CD1 4.45Å; L153-F212 HydrophobicContact CD2-CD2 3.72Å; L153-F212 HydrophobicContact CD2-CE1 4.49Å; L153-F212 HydrophobicContact CD2-CE2 3.75Å; L153-F212 HydrophobicContact CD2-CG 4.09Å; L153-F212 HydrophobicContact CD2-CZ 4.16Å; L153-F212 HydrophobicContact CG-CE2 4.25Å; L153-F212 HydrophobicContact CG-CZ 4.31Å; T157-F212 PolarHBondContact O-N 2.83Å; V158-F212 CarbonylContact C-O 3.42Å; V158-F212 WeakPolarHBondContact CA-O 3.43Å; V158-F212 HydrophobicContact CG1-CB 4.46Å; V158-F212 HydrophobicContact CG2-CB 4.2Å; V158-F212 HydrophobicContact CG2-CD2 4.28Å; G159-F212 PolarHBondContact N-O 3.33Å; S210-F212 WeakPolarHBondContact CB-O 3.44Å; F212-V240 WeakPolarHBondContact CA-O 3.25Å; F212-V240 HydrophobicContact CD1-CB 3.79Å; F212-V240 HydrophobicContact CD1-CG1 4.48Å; F212-V240 HydrophobicContact CD1-CG2 4.29Å; F212-V240 HydrophobicContact CE1-CB 4.02Å; F212-V240 HydrophobicContact CE1-CG2 4Å
213	V	98.9	Very high	98.2	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	124.9	174.1	-179.1	0	0	0	0	109.1	G159 I161 L206 F231 M235 V240 F241 I242	G159-V213 CarbonylContact O-C 3.55Å; G159-V213 WeakPolarHBondContact O-CA 3.33Å; I161-V213 HydrophobicContact CD1-CG1 4.01Å; I161-V213 HydrophobicContact CG1-CG1 4.27Å; L206-V213 HydrophobicContact CD2-CG1 4.1Å; L206-V213 HydrophobicContact CD2-CG2 4.34Å; V213-F231 HydrophobicContact CG1-CZ 3.97Å; V213-M235 HydrophobicContact CB-CE 4.16Å; V213-M235 HydrophobicContact CG2-CE 3.81Å; V213-V240 PolarHBondContact N-O 2.98Å; V213-F241 HydrophobicContact CB-CD2 4.28Å; V213-F241 HydrophobicContact CG1-CD2 4.26Å; V213-F241 HydrophobicContact CG1-CE2 4.45Å; V213-I242 PolarHBondContact O-N 3.47Å
214	V	98.9	Very high	98.2	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	126	179.4	-175.8	0	0	0	0	109.8	T117 L121 G159 V160 I161 I170 I242	T117-V214 HydrophobicContact CG2-CG1 3.59Å; L121-V214 HydrophobicContact CD1-CG2 3.92Å; G159-V214 PolarHBondContact O-N 2.91Å; V160-V214 CarbonylContact C-O 3.53Å; V160-V214 WeakPolarHBondContact CA-O 3.22Å; I161-V214 PolarHBondContact N-O 2.85Å; I170-V214 HydrophobicContact CD1-CG1 4.1Å; I170-V214 HydrophobicContact CG2-CG1 4.32Å; V214-I242 CarbonylContact C-O 3.35Å; V214-I242 WeakPolarHBondContact CA-O 3.36Å; V214-I242 HydrophobicContact CG2-CB 4.31Å
215	V	98.9	Very high	98.2	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104	113	179.7	-169.6	0	0	0	0	110	I161 F241 I242 N243 S244 S245 V249	I161-V215 HydrophobicContact CB-CG1 4.47Å; I161-V215 HydrophobicContact CD1-CG2 4.21Å; V215-F241 HydrophobicContact CG2-CD2 4.49Å; V215-F241 HydrophobicContact CG2-CE2 3.46Å; V215-F241 VanDerWaalsContact CG2-CE2 3.46Å; V215-F241 HydrophobicContact CG2-CZ 3.56Å; V215-I242 PolarHBondContact N-O 3.12Å; V215-N243 HydrophobicContact CB-CB 4.37Å; V215-S244 PolarHBondContact O-N 2.76Å; V215-S245 WeakPolarHBondContact CG1-OG 3.43Å; V215-S245 PolarHBondContact O-N 3.17Å; V215-V249 HydrophobicContact CG1-CG1 3.82Å
216	S	98.3	Very high	98.2	Very high	19 Å²	19	39.8 Å²	39.8	13%	0.133	23%	0.23	C	C	.	.			trans	-132.9	25.5	179.8	60.5	0	0	0	0	112.4	I161 G162 G167	I161-S216 CarbonylContact O-C 3.55Å; I161-S216 PolarHBondContact O-N 2.79Å; G162-S216 PolarHBondContact O-OG 2.9Å; G167-S216 WeakPolarHBondContact CA-OG 3.21Å
217	C	98.1	Very high	98.2	Very high	20 Å²	20	39.8 Å²	39.8	14%	0.135	23%	0.23	C	C	.	.	P	Polyproline II helix	trans	-82.7	166.3	178.8	71	0	0	0	0	112.5	I161 S245	I161-C217 HydrophobicContact CG2-CB 4.43Å; I161-C217 PolarHBondContact O-N 3.42Å; C217-S245 WeakPolarHBondContact O-CB 3.37Å
218	S	97.1	Very high	98.2	Very high	75 Å²	75	42.7 Å²	42.7	52%	0.524	25%	0.245	S	C	.	.	P	Polyproline II helix	trans	-76.5	151.9	168.9	-58.8	0	0	0	0	110.6	T220 T223	S218-T220 PolarHBondContact O-N 2.89Å; S218-T223 PolarHBondContact O-OG1 2.95Å
219	L	97.9	Very high	98.2	Very high	40 Å²	40	47.2 Å²	47.2	21%	0.209	26%	0.258	C	S	.	.	P	Polyproline II helix	trans	-76.5	119.1	166	179.7	64	0	0	0	109.7	D88 T223 Q224 R246 A248 V249	D88-L219 HydrophobicContact CB-CB 4.25Å; D88-L219 HydrophobicContact CB-CD2 4.21Å; L219-T223 WeakPolarHBondContact CA-OG1 3.43Å; L219-Q224 HydrophobicContact CD1-CB 4.03Å; L219-Q224 HydrophobicContact CD1-CG 4.48Å; L219-R246 HydrophobicContact CB-CB 3.96Å; L219-R246 HydrophobicContact CB-CG 3.69Å; L219-R246 HydrophobicContact CD2-CB 4.18Å; L219-R246 HydrophobicContact CD2-CG 4.24Å; L219-A248 HydrophobicContact CD1-CB 3.87Å; L219-A248 HydrophobicContact CD2-CB 3.87Å; L219-V249 HydrophobicContact CD1-CG2 4.04Å
220	T	96.1	Very high	98.2	Very high	44 Å²	44	46.4 Å²	46.4	27%	0.27	26%	0.262	S	S	.	.			trans	-139.5	169.8	176.5	74.1	0	0	0	0	108.4	S218 E222 T223 Q224	S218-T220 PolarHBondContact O-N 2.89Å; T220-E222 VanDerWaalsContact CB-OE2 3.27Å; T220-E222 WeakPolarHBondContact CB-OE2 3.41Å; T220-E222 PolarHBondContact O-N 2.87Å; T220-E222 VanDerWaalsContact O-N 3.14Å; T220-E222 PolarHBondContact OG1-N 3.49Å; T220-E222 PolarHBondContact OG1-OE2 3.31Å; T220-T223 PolarHBondContact N-OG1 2.81Å; T220-T223 PolarHBondContact O-N 2.91Å; T220-T223 PolarHBondContact O-OG1 2.78Å; T220-T223 PolarHBondContact OG1-N 3.1Å; T220-Q224 PolarHBondContact O-N 3.19Å
221	P	95.6	Very high	98.1	Very high	111 Å²	111	46.8 Å²	46.8	72%	0.721	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.8	-32.5	174.2	-28	37.2	0	0	0	113.6
222	E	96	Very high	98.1	Very high	138 Å²	138	45.1 Å²	45.1	65%	0.645	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.3	-19	179.8	-52.5	81.8	179.3	0	0	114.2	T220	T220-E222 VanDerWaalsContact CB-OE2 3.27Å; T220-E222 WeakPolarHBondContact CB-OE2 3.41Å; T220-E222 PolarHBondContact O-N 2.87Å; T220-E222 VanDerWaalsContact O-N 3.14Å; T220-E222 PolarHBondContact OG1-N 3.49Å; T220-E222 PolarHBondContact OG1-OE2 3.31Å
223	T	98.3	Very high	98.1	Very high	22 Å²	22	48.2 Å²	48.2	14%	0.135	28%	0.277	C	S	.	.	T	Hydrogen-bonded Turn	trans	-105	-10.9	178.5	62.1	0	0	0	0	113.1	S218 L219 T220 G225 L226 V249	S218-T223 PolarHBondContact O-OG1 2.95Å; L219-T223 WeakPolarHBondContact CA-OG1 3.43Å; T220-T223 PolarHBondContact N-OG1 2.81Å; T220-T223 PolarHBondContact O-N 2.91Å; T220-T223 PolarHBondContact O-OG1 2.78Å; T220-T223 PolarHBondContact OG1-N 3.1Å; T223-G225 PolarHBondContact O-N 2.92Å; T223-L226 VanDerWaalsContact O-CB 3.22Å; T223-L226 WeakPolarHBondContact O-CB 3.34Å; T223-L226 PolarHBondContact O-N 3.36Å; T223-L226 VanDerWaalsContact O-N 3.16Å; T223-V249 WeakPolarHBondContact O-CA 3.38Å
224	Q	98.3	Very high	98.1	Very high	132 Å²	132	52.2 Å²	52.2	62%	0.617	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.6	123.5	174.3	-176.1	173.1	-7.4	0	0	110.3	L219 T220 L226 A248	L219-Q224 HydrophobicContact CD1-CB 4.03Å; L219-Q224 HydrophobicContact CD1-CG 4.48Å; T220-Q224 PolarHBondContact O-N 3.19Å; Q224-L226 PolarHBondContact O-N 2.92Å; Q224-A248 WeakPolarHBondContact CA-O 3.39Å
225	G	98.3	Very high	98.1	Very high	29 Å²	29	52.6 Å²	52.6	30%	0.299	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	64.8	17.7	-176.5	0	0	0	0	0	114.4	T223 C227 A248 V249	T223-G225 PolarHBondContact O-N 2.92Å; G225-C227 PolarHBondContact O-N 3.01Å; G225-A248 PolarHBondContact N-O 3.11Å; G225-V249 CarbonylContact C-O 3.6Å
226	L	98.7	Very high	98.1	Very high	44 Å²	44	55.6 Å²	55.6	23%	0.23	31%	0.309	C	S	.	.			trans	-56.8	-38.5	-179.5	-177.3	68	0	0	0	112.8	I161 L203 T223 Q224 D228 V249	I161-L226 HydrophobicContact CG2-CD2 3.96Å; L203-L226 HydrophobicContact CD2-CD1 3.64Å; L203-L226 HydrophobicContact CD2-CD2 4.42Å; L203-L226 HydrophobicContact CD2-CG 4.16Å; T223-L226 VanDerWaalsContact O-CB 3.22Å; T223-L226 WeakPolarHBondContact O-CB 3.34Å; T223-L226 PolarHBondContact O-N 3.36Å; T223-L226 VanDerWaalsContact O-N 3.16Å; Q224-L226 PolarHBondContact O-N 2.92Å; L226-D228 PolarHBondContact O-N 2.97Å; L226-V249 HydrophobicContact CB-CG1 4.19Å; L226-V249 PolarHBondContact N-O 3.46Å; L226-V249 VanDerWaalsContact N-O 3.07Å
227	C	98.8	Very high	98.1	Very high	0 Å²	0	62.1 Å²	62.1	0%	0	34%	0.335	C	S	.	.	B	Isolated β-bridge	trans	-93.9	77.9	178.4	-60.2	0	0	0	0	109.3	G225 F231 F232 F241 V249 V250 N251	G225-C227 PolarHBondContact O-N 3.01Å; C227-F231 HydrophobicContact CB-CD1 4.02Å; C227-F231 HydrophobicContact CB-CE1 4.17Å; C227-F231 HydrophobicContact CB-CG 4.24Å; C227-F231 HydrophobicContact CB-CZ 4.49Å; C227-F231 VanDerWaalsContact SG-CZ 3.59Å; C227-F232 HydrophobicContact CB-CE1 4.49Å; C227-F232 HydrophobicContact CB-CZ 3.96Å; C227-F232 VanDerWaalsContact O-CE2 3.28Å; C227-F232 WeakPolarHBondContact O-CE2 3.37Å; C227-F241 HydrophobicContact CB-CE2 4.24Å; C227-F241 HydrophobicContact CB-CZ 4.03Å; C227-V249 PolarHBondContact N-O 3.31Å; C227-V250 HydrophobicContact CB-CB 4.47Å; C227-V250 HydrophobicContact CB-CG2 4.04Å; C227-N251 PolarHBondContact O-N 2.79Å
228	D	98.8	Very high	98.2	Very high	61 Å²	61	64.2 Å²	64.2	33%	0.326	35%	0.348	S	S	.	.	S	Bend	trans	-103.5	-171.4	179.3	70.5	3.1	0	0	0	112.7	L226 A230 F231 F232 N251	L226-D228 PolarHBondContact O-N 2.97Å; D228-A230 VanDerWaalsContact C-N 3.28Å; D228-A230 PolarHBondContact O-N 2.83Å; D228-A230 WeakPolarHBondContact OD1-CA 3.38Å; D228-A230 WeakPolarHBondContact OD1-CB 3.41Å; D228-A230 PolarHBondContact OD1-N 3.04Å; D228-F231 VanDerWaalsContact O-CB 3.32Å; D228-F231 WeakPolarHBondContact O-CB 3.43Å; D228-F231 PolarHBondContact O-N 2.83Å; D228-F231 PolarHBondContact OD1-N 2.76Å; D228-F232 WeakPolarHBondContact O-CD2 3.38Å; D228-F232 PolarHBondContact O-N 3.07Å; D228-N251 HydrophobicContact CB-CB 4.49Å
229	K	98.8	Very high	98.3	Very high	151 Å²	151	60.7 Å²	60.7	66%	0.657	32%	0.323	S	S	*	.	H	α-helix	trans	-53.3	-42	174.9	-172	171.5	-176.5	170.4	0	113.5	F231 F232 S233 D254	K229-F231 VanDerWaalsContact C-N 3.34Å; K229-F232 PolarHBondContact O-N 3.14Å; K229-S233 VanDerWaalsContact O-CB 3.31Å; K229-S233 WeakPolarHBondContact O-CB 3.22Å; K229-S233 PolarHBondContact O-N 3.5Å; K229-D254 HydrophobicContact CB-CB 4.18Å; K229-D254 VanDerWaalsContact N-CG 3.28Å; K229-D254 PolarHBondContact N-OD2 3.25Å
230	A	98.6	Very high	98.3	Very high	48 Å²	48	58.8 Å²	58.8	40%	0.397	31%	0.313	S	S	.	.	H	α-helix	trans	-67.9	-39.9	-178.7	0	0	0	0	0	110.5	D228 S233 K234	D228-A230 VanDerWaalsContact C-N 3.28Å; D228-A230 PolarHBondContact O-N 2.83Å; D228-A230 WeakPolarHBondContact OD1-CA 3.38Å; D228-A230 WeakPolarHBondContact OD1-CB 3.41Å; D228-A230 PolarHBondContact OD1-N 3.04Å; A230-S233 PolarHBondContact O-N 2.81Å; A230-S233 PolarHBondContact O-OG 2.76Å; A230-K234 WeakPolarHBondContact O-CG 3.45Å; A230-K234 PolarHBondContact O-N 2.84Å
231	F	98.8	Very high	98.5	Very high	9 Å²	9	56.7 Å²	56.7	4%	0.039	30%	0.3	C	S	.	.	H	α-helix	trans	-57.4	-55.7	171.9	-178.6	-82.7	0	0	0	111.6	I161 L203 V207 V213 C227 D228 K229 S233 K234 M235 F241	I161-F231 HydrophobicContact CD1-CE2 3.52Å; I161-F231 HydrophobicContact CD1-CZ 3.66Å; L203-F231 HydrophobicContact CD1-CE2 4.26Å; V207-F231 HydrophobicContact CG1-CD1 4.5Å; V207-F231 HydrophobicContact CG1-CD2 4.45Å; V207-F231 HydrophobicContact CG1-CE2 4.49Å; V207-F231 HydrophobicContact CG1-CG 4.46Å; V207-F231 VanDerWaalsContact CG1-O 3.26Å; V207-F231 WeakPolarHBondContact CG1-O 3.4Å; V207-F231 HydrophobicContact CG2-CD2 3.63Å; V207-F231 HydrophobicContact CG2-CE1 4.45Å; V207-F231 HydrophobicContact CG2-CE2 3.23Å; V207-F231 HydrophobicContact CG2-CG 4.39Å; V207-F231 HydrophobicContact CG2-CZ 3.71Å; V213-F231 HydrophobicContact CG1-CZ 3.97Å; C227-F231 HydrophobicContact CB-CD1 4.02Å; C227-F231 HydrophobicContact CB-CE1 4.17Å; C227-F231 HydrophobicContact CB-CG 4.24Å; C227-F231 HydrophobicContact CB-CZ 4.49Å; C227-F231 VanDerWaalsContact SG-CZ 3.59Å; D228-F231 VanDerWaalsContact O-CB 3.32Å; D228-F231 WeakPolarHBondContact O-CB 3.43Å; D228-F231 PolarHBondContact O-N 2.83Å; D228-F231 PolarHBondContact OD1-N 2.76Å; K229-F231 VanDerWaalsContact C-N 3.34Å; F231-S233 VanDerWaalsContact C-N 3.27Å; F231-S233 PolarHBondContact O-N 2.74Å; F231-K234 PolarHBondContact O-N 3.04Å; F231-K234 VanDerWaalsContact O-N 3.15Å; F231-M235 HydrophobicContact CD1-SD 4.1Å; F231-M235 HydrophobicContact CE1-CG 4.33Å; F231-M235 HydrophobicContact CE1-SD 3.64Å; F231-M235 PolarHBondContact O-N 2.9Å; F231-F241 AromaticContact CE1-CD2 3.92Å; F231-F241 HydrophobicContact CE1-CD2 3.92Å; F231-F241 AromaticContact CE1-CE2 3.73Å; F231-F241 HydrophobicContact CE1-CE2 3.73Å; F231-F241 HydrophobicContact CZ-CD2 4.44Å; F231-F241 HydrophobicContact CZ-CE2 4.03Å
232	F	98.9	Very high	98.6	Very high	2 Å²	2	51.4 Å²	51.4	1%	0.009	27%	0.266	C	S	.	.	H	α-helix	trans	-65.7	-29.7	-178.3	-61.2	-57.7	0	0	0	112.9	C227 D228 K229 K234 M235 F241 V250 D254 L255 A258 Q263 I264	C227-F232 HydrophobicContact CB-CE1 4.49Å; C227-F232 HydrophobicContact CB-CZ 3.96Å; C227-F232 VanDerWaalsContact O-CE2 3.28Å; C227-F232 WeakPolarHBondContact O-CE2 3.37Å; D228-F232 WeakPolarHBondContact O-CD2 3.38Å; D228-F232 PolarHBondContact O-N 3.07Å; K229-F232 PolarHBondContact O-N 3.14Å; F232-K234 PolarHBondContact O-N 3.44Å; F232-M235 HydrophobicContact CD1-SD 3.81Å; F232-M235 HydrophobicContact CE1-SD 4.37Å; F232-M235 PolarHBondContact O-N 3.43Å; F232-F241 HydrophobicContact CE1-CD1 4.34Å; F232-F241 HydrophobicContact CE1-CD2 4.13Å; F232-F241 HydrophobicContact CE1-CE1 4.5Å; F232-F241 HydrophobicContact CE1-CE2 4.29Å; F232-F241 HydrophobicContact CE1-CG 4.14Å; F232-F241 HydrophobicContact CE1-CZ 4.48Å; F232-V250 HydrophobicContact CZ-CG1 4.15Å; F232-D254 HydrophobicContact CD2-CB 4.11Å; F232-D254 HydrophobicContact CE2-CB 4.22Å; F232-L255 HydrophobicContact CD1-CD1 4.49Å; F232-L255 HydrophobicContact CE1-CD1 3.8Å; F232-L255 HydrophobicContact CE2-CB 3.84Å; F232-L255 HydrophobicContact CE2-CD1 4.36Å; F232-L255 HydrophobicContact CZ-CB 3.86Å; F232-L255 HydrophobicContact CZ-CD1 3.73Å; F232-L255 HydrophobicContact CZ-CG 4.33Å; F232-A258 HydrophobicContact CB-CB 3.74Å; F232-A258 HydrophobicContact CD2-CB 4.29Å; F232-A258 HydrophobicContact CG-CB 3.97Å; F232-Q263 WeakPolarHBondContact O-CG 3.32Å; F232-Q263 PolarHBondContact O-NE2 3.49Å; F232-I264 HydrophobicContact CD1-CD1 4.1Å; F232-I264 HydrophobicContact CE1-CD1 4.42Å
233	S	98.7	Very high	98.8	Very high	67 Å²	67	44.8 Å²	44.8	47%	0.469	24%	0.235	S	C	.	.	H	α-helix	trans	-64.2	-26	176.5	77	0	0	0	0	113.8	K229 A230 F231 Q263	K229-S233 VanDerWaalsContact O-CB 3.31Å; K229-S233 WeakPolarHBondContact O-CB 3.22Å; K229-S233 PolarHBondContact O-N 3.5Å; A230-S233 PolarHBondContact O-N 2.81Å; A230-S233 PolarHBondContact O-OG 2.76Å; F231-S233 VanDerWaalsContact C-N 3.27Å; F231-S233 PolarHBondContact O-N 2.74Å; S233-Q263 PolarHBondContact O-NE2 2.78Å
234	K	98.8	Very high	98.8	Very high	85 Å²	85	44.5 Å²	44.5	37%	0.37	23%	0.233	S	C	.	.	H	α-helix	trans	-89.1	-16.3	179.2	-66	176.4	-167.9	178.5	0	112.7	D204 V207 S208 A230 F231 F232	D204-K234 IonicContact OD1-NZ 2.65Å; D204-K234 PolarHBondContact OD1-NZ 3.49Å; D204-K234 IonicContact OD2-NZ 3.55Å; D204-K234 PolarHBondContact OD2-NZ 3.19Å; V207-K234 HydrophobicContact CG1-CB 3.79Å; S208-K234 WeakPolarHBondContact CA-O 3.41Å; A230-K234 WeakPolarHBondContact O-CG 3.45Å; A230-K234 PolarHBondContact O-N 2.84Å; F231-K234 PolarHBondContact O-N 3.04Å; F231-K234 VanDerWaalsContact O-N 3.15Å; F232-K234 PolarHBondContact O-N 3.44Å
235	M	98.9	Very high	98.7	Very high	7 Å²	7	38.5 Å²	38.5	3%	0.034	21%	0.206	C	C	.	.	S	Bend	trans	-68.2	152.1	178	-70.2	-172.5	65.8	0	0	111.2	V207 V213 F231 F232 A239 F241 I264	V207-M235 HydrophobicContact CG1-CB 4.45Å; V207-M235 HydrophobicContact CG1-CG 3.48Å; V207-M235 VanDerWaalsContact CG1-CG 3.48Å; V213-M235 HydrophobicContact CB-CE 4.16Å; V213-M235 HydrophobicContact CG2-CE 3.81Å; F231-M235 HydrophobicContact CD1-SD 4.1Å; F231-M235 HydrophobicContact CE1-CG 4.33Å; F231-M235 HydrophobicContact CE1-SD 3.64Å; F231-M235 PolarHBondContact O-N 2.9Å; F232-M235 HydrophobicContact CD1-SD 3.81Å; F232-M235 HydrophobicContact CE1-SD 4.37Å; F232-M235 PolarHBondContact O-N 3.43Å; M235-A239 HydrophobicContact CB-CB 4.48Å; M235-A239 HydrophobicContact CE-CB 3.62Å; M235-F241 HydrophobicContact CE-CB 4.05Å; M235-F241 HydrophobicContact CE-CD2 4.48Å; M235-F241 HydrophobicContact SD-CB 4.49Å; M235-F241 HydrophobicContact SD-CD2 4.29Å; M235-I264 HydrophobicContact CB-CG2 3.59Å; M235-I264 HydrophobicContact CE-CG2 4.27Å; M235-I264 HydrophobicContact CG-CG2 4.36Å; M235-I264 HydrophobicContact SD-CG2 4.04Å
236	K	98.9	Very high	98.8	Very high	64 Å²	64	39 Å²	39	28%	0.278	20%	0.199	S	C	.	.			trans	-65.1	145.8	171.1	-54.2	179	-170.3	173.4	0	109.8	S208 E209 D211 T238 A239	S208-K236 WeakPolarHBondContact O-CE 3.44Å; E209-K236 VanDerWaalsContact C-CE 3.46Å; E209-K236 WeakPolarHBondContact O-CE 3.31Å; E209-K236 PolarHBondContact O-NZ 2.74Å; D211-K236 WeakPolarHBondContact OD1-CD 3.37Å; D211-K236 IonicContact OD1-NZ 2.74Å; D211-K236 PolarHBondContact OD1-NZ 3.12Å; D211-K236 IonicContact OD2-NZ 3.4Å; K236-T238 PolarHBondContact O-N 3.42Å; K236-T238 VanDerWaalsContact O-N 3.1Å; K236-A239 HydrophobicContact CB-CB 4.06Å; K236-A239 VanDerWaalsContact O-CB 3.25Å; K236-A239 WeakPolarHBondContact O-CB 3.23Å; K236-A239 PolarHBondContact O-N 3.37Å
237	K	98.8	Very high	98.8	Very high	155 Å²	155	37 Å²	37	67%	0.674	19%	0.19	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.6	-31.1	171.7	-169.3	173	-177.1	175.8	0	113.6	G262 Q263 I264 A265	K237-G262 VanDerWaalsContact CE-O 3.26Å; K237-G262 WeakPolarHBondContact CE-O 3.47Å; K237-G262 WeakPolarHBondContact CG-O 3.46Å; K237-Q263 WeakPolarHBondContact CA-O 3.36Å; K237-I264 CarbonylContact O-C 3.56Å; K237-A265 PolarHBondContact O-N 3.29Å; K237-A265 VanDerWaalsContact O-N 3.11Å
238	T	98.9	Very high	98.7	Very high	65 Å²	65	38.4 Å²	38.4	40%	0.399	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90	-1.8	179.8	54.1	0	0	0	0	113.5	Y151 K236	Y151-T238 HydrophobicContact CE1-CG2 3.78Å; K236-T238 PolarHBondContact O-N 3.42Å; K236-T238 VanDerWaalsContact O-N 3.1Å
239	A	98.9	Very high	98.7	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	19%	0.186	C	C	.	.			trans	-76.2	148.6	-173.1	0	0	0	0	0	112.4	D211 M235 K236 A265	D211-A239 CarbonylContact O-C 3.51Å; D211-A239 WeakPolarHBondContact O-CA 3.39Å; M235-A239 HydrophobicContact CB-CB 4.48Å; M235-A239 HydrophobicContact CE-CB 3.62Å; K236-A239 HydrophobicContact CB-CB 4.06Å; K236-A239 VanDerWaalsContact O-CB 3.25Å; K236-A239 WeakPolarHBondContact O-CB 3.23Å; K236-A239 PolarHBondContact O-N 3.37Å; A239-A265 WeakPolarHBondContact O-CB 3.19Å; A239-A265 PolarHBondContact O-N 3Å
240	V	99	Very high	98.7	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	129.2	173.4	179.7	0	0	0	0	109.5	T124 A125 Y151 D211 F212 V213 I242 A266	T124-V240 HydrophobicContact CG2-CG1 3.75Å; A125-V240 HydrophobicContact CB-CG2 4.24Å; Y151-V240 HydrophobicContact CD2-CG2 4.27Å; D211-V240 PolarHBondContact O-N 2.97Å; F212-V240 WeakPolarHBondContact CA-O 3.25Å; F212-V240 HydrophobicContact CD1-CB 3.79Å; F212-V240 HydrophobicContact CD1-CG1 4.48Å; F212-V240 HydrophobicContact CD1-CG2 4.29Å; F212-V240 HydrophobicContact CE1-CB 4.02Å; F212-V240 HydrophobicContact CE1-CG2 4Å; V213-V240 PolarHBondContact N-O 2.98Å; V240-I242 HydrophobicContact CG1-CD1 3.92Å; V240-I242 HydrophobicContact CG1-CG1 4.35Å; V240-A266 WeakPolarHBondContact CA-O 3.44Å; V240-A266 HydrophobicContact CG2-CB 4.47Å
241	F	99	Very high	98.8	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	129.5	-179.7	177.6	-98.3	0	0	0	111.5	V213 V215 C227 F231 F232 M235 N243 V250 L255 I264 A266 A267 G268 L269	V213-F241 HydrophobicContact CB-CD2 4.28Å; V213-F241 HydrophobicContact CG1-CD2 4.26Å; V213-F241 HydrophobicContact CG1-CE2 4.45Å; V215-F241 HydrophobicContact CG2-CD2 4.49Å; V215-F241 HydrophobicContact CG2-CE2 3.46Å; V215-F241 VanDerWaalsContact CG2-CE2 3.46Å; V215-F241 HydrophobicContact CG2-CZ 3.56Å; C227-F241 HydrophobicContact CB-CE2 4.24Å; C227-F241 HydrophobicContact CB-CZ 4.03Å; F231-F241 AromaticContact CE1-CD2 3.92Å; F231-F241 HydrophobicContact CE1-CD2 3.92Å; F231-F241 AromaticContact CE1-CE2 3.73Å; F231-F241 HydrophobicContact CE1-CE2 3.73Å; F231-F241 HydrophobicContact CZ-CD2 4.44Å; F231-F241 HydrophobicContact CZ-CE2 4.03Å; F232-F241 HydrophobicContact CE1-CD1 4.34Å; F232-F241 HydrophobicContact CE1-CD2 4.13Å; F232-F241 HydrophobicContact CE1-CE1 4.5Å; F232-F241 HydrophobicContact CE1-CE2 4.29Å; F232-F241 HydrophobicContact CE1-CG 4.14Å; F232-F241 HydrophobicContact CE1-CZ 4.48Å; M235-F241 HydrophobicContact CE-CB 4.05Å; M235-F241 HydrophobicContact CE-CD2 4.48Å; M235-F241 HydrophobicContact SD-CB 4.49Å; M235-F241 HydrophobicContact SD-CD2 4.29Å; F241-N243 HydrophobicContact CE1-CB 3.9Å; F241-N243 HydrophobicContact CZ-CB 4.21Å; F241-V250 HydrophobicContact CE1-CG2 3.81Å; F241-V250 HydrophobicContact CZ-CG2 3.72Å; F241-L255 HydrophobicContact CD1-CD1 4.36Å; F241-I264 HydrophobicContact CB-CD1 4.14Å; F241-A266 PolarHBondContact N-O 3.08Å; F241-A267 HydrophobicContact CB-CB 4.31Å; F241-A267 HydrophobicContact CD1-CB 4.25Å; F241-A267 CarbonylContact O-C 3.2Å; F241-A267 WeakPolarHBondContact O-CA 3.42Å; F241-G268 PolarHBondContact O-N 3.33Å; F241-L269 HydrophobicContact CD1-CD2 4.45Å; F241-L269 HydrophobicContact CE1-CD2 4.18Å
242	I	98.9	Very high	98.8	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	129.1	-178.9	-54.1	-64	0	0	0	110	T117 L120 L121 T124 V213 V214 V215 V240 G268	T117-I242 HydrophobicContact CG2-CG2 3.93Å; L120-I242 HydrophobicContact CD2-CG2 4.09Å; L120-I242 HydrophobicContact CG-CD1 4.48Å; L120-I242 HydrophobicContact CG-CG2 4.28Å; L121-I242 HydrophobicContact CB-CD1 4.17Å; L121-I242 HydrophobicContact CB-CG1 3.93Å; L121-I242 HydrophobicContact CD1-CG1 4.3Å; L121-I242 HydrophobicContact CG-CG1 4.05Å; T124-I242 HydrophobicContact CG2-CD1 4.39Å; V213-I242 PolarHBondContact O-N 3.47Å; V214-I242 CarbonylContact C-O 3.35Å; V214-I242 WeakPolarHBondContact CA-O 3.36Å; V214-I242 HydrophobicContact CG2-CB 4.31Å; V215-I242 PolarHBondContact N-O 3.12Å; V240-I242 HydrophobicContact CG1-CD1 3.92Å; V240-I242 HydrophobicContact CG1-CG1 4.35Å; I242-G268 CarbonylContact C-O 3.5Å; I242-G268 VanDerWaalsContact CA-O 3.28Å; I242-G268 WeakPolarHBondContact CA-O 3.11Å
243	N	98.9	Very high	98.7	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	118.1	175.2	-174.2	18	0	0	0	111.8	V215 F241 S245 R246 V250 G268 L269 D270 V271	V215-N243 HydrophobicContact CB-CB 4.37Å; F241-N243 HydrophobicContact CE1-CB 3.9Å; F241-N243 HydrophobicContact CZ-CB 4.21Å; N243-S245 WeakPolarHBondContact OD1-CB 3.41Å; N243-S245 PolarHBondContact OD1-N 2.81Å; N243-S245 PolarHBondContact OD1-OG 2.83Å; N243-R246 PolarHBondContact ND2-O 2.97Å; N243-V250 HydrophobicContact CB-CG2 4.33Å; N243-V250 VanDerWaalsContact ND2-CG2 3.34Å; N243-V250 WeakPolarHBondContact ND2-CG2 3.35Å; N243-G268 PolarHBondContact N-O 2.89Å; N243-L269 HydrophobicContact CB-CD2 3.87Å; N243-D270 PolarHBondContact O-N 3.27Å; N243-V271 HydrophobicContact CB-CG2 4.46Å; N243-V271 WeakPolarHBondContact ND2-CG2 3.12Å
244	S	98.2	Very high	98.8	Very high	15 Å²	15	35.3 Å²	35.3	11%	0.105	18%	0.175	C	C	.	.			trans	-124.7	22.5	170.8	56.2	0	0	0	0	112.1	T117 V215	T117-S244 WeakPolarHBondContact CG2-OG 3.27Å; T117-S244 VanDerWaalsContact OG1-CB 3.31Å; T117-S244 WeakPolarHBondContact OG1-CB 3.41Å; T117-S244 PolarHBondContact OG1-OG 2.6Å; V215-S244 PolarHBondContact O-N 2.76Å
245	S	98.1	Very high	98.8	Very high	7 Å²	7	31.2 Å²	31.2	5%	0.049	16%	0.158	C	C	.	.	S	Bend	trans	-91.9	-92.3	177.8	63.1	0	0	0	0	113	V215 C217 N243	V215-S245 WeakPolarHBondContact CG1-OG 3.43Å; V215-S245 PolarHBondContact O-N 3.17Å; C217-S245 WeakPolarHBondContact O-CB 3.37Å; N243-S245 WeakPolarHBondContact OD1-CB 3.41Å; N243-S245 PolarHBondContact OD1-N 2.81Å; N243-S245 PolarHBondContact OD1-OG 2.83Å
246	R	98.6	Very high	98.8	Very high	38 Å²	38	33.4 Å²	33.4	14%	0.143	17%	0.166	C	C	.	.			trans	-139.8	150.8	171.3	-69.4	-66.3	-177.4	-101.9	10.7	109.8	D88 L219 N243 A248 V249	D88-R246 IonicContact OD1-CZ 3.02Å; D88-R246 IonicContact OD1-NE 3.75Å; D88-R246 PolarHBondContact OD1-NE 3.32Å; D88-R246 IonicContact OD1-NH2 3.75Å; D88-R246 PolarHBondContact OD1-NH2 3.15Å; D88-R246 VanDerWaalsContact OD1-NH2 3.12Å; D88-R246 IonicContact OD2-NE 3.98Å; D88-R246 PolarHBondContact OD2-NE 2.88Å; L219-R246 HydrophobicContact CB-CB 3.96Å; L219-R246 HydrophobicContact CB-CG 3.69Å; L219-R246 HydrophobicContact CD2-CB 4.18Å; L219-R246 HydrophobicContact CD2-CG 4.24Å; N243-R246 PolarHBondContact ND2-O 2.97Å; R246-A248 VanDerWaalsContact C-N 3.3Å; R246-A248 PolarHBondContact O-N 3.04Å; R246-V249 HydrophobicContact CB-CG2 4.3Å; R246-V249 PolarHBondContact O-N 3.42Å
247	G	98.5	Very high	98.8	Very high	4 Å²	4	35.4 Å²	35.4	4%	0.041	18%	0.176	C	C	.	.	G	3₁₀ helix	trans	-60	-40.4	176.7	0	0	0	0	0	112.7	V249 V250 T272 T273	G247-V249 PolarHBondContact O-N 3.29Å; G247-V250 PolarHBondContact O-N 3.4Å; G247-T272 WeakPolarHBondContact CA-O 3.43Å; G247-T273 WeakPolarHBondContact CA-OG1 3.36Å
248	A	98.5	Very high	98.8	Very high	29 Å²	29	28.3 Å²	28.3	24%	0.24	15%	0.146	C	C	.	.	G	3₁₀ helix	trans	-67.1	-6.7	-177	0	0	0	0	0	114.9	L219 Q224 G225 R246 T273	L219-A248 HydrophobicContact CD1-CB 3.87Å; L219-A248 HydrophobicContact CD2-CB 3.87Å; Q224-A248 WeakPolarHBondContact CA-O 3.39Å; G225-A248 PolarHBondContact N-O 3.11Å; R246-A248 VanDerWaalsContact C-N 3.3Å; R246-A248 PolarHBondContact O-N 3.04Å; A248-T273 PolarHBondContact N-OG1 3.37Å; A248-T273 VanDerWaalsContact N-OG1 3.09Å
249	V	98.8	Very high	98.8	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	13%	0.128	C	C	.	.	G	3₁₀ helix	trans	-72.4	-21.6	168.9	177.9	0	0	0	0	111.2	V215 L219 T223 G225 L226 C227 R246 G247	V215-V249 HydrophobicContact CG1-CG1 3.82Å; L219-V249 HydrophobicContact CD1-CG2 4.04Å; T223-V249 WeakPolarHBondContact O-CA 3.38Å; G225-V249 CarbonylContact C-O 3.6Å; L226-V249 HydrophobicContact CB-CG1 4.19Å; L226-V249 PolarHBondContact N-O 3.46Å; L226-V249 VanDerWaalsContact N-O 3.07Å; C227-V249 PolarHBondContact N-O 3.31Å; R246-V249 HydrophobicContact CB-CG2 4.3Å; R246-V249 PolarHBondContact O-N 3.42Å; G247-V249 PolarHBondContact O-N 3.29Å
250	V	98.9	Very high	98.8	Very high	10 Å²	10	29.8 Å²	29.8	6%	0.061	15%	0.152	C	C	.	.	B	Isolated β-bridge	trans	-110.6	130.6	-175.9	179	0	0	0	0	110.1	C227 F232 F241 N243 G247 Q252 L255	C227-V250 HydrophobicContact CB-CB 4.47Å; C227-V250 HydrophobicContact CB-CG2 4.04Å; F232-V250 HydrophobicContact CZ-CG1 4.15Å; F241-V250 HydrophobicContact CE1-CG2 3.81Å; F241-V250 HydrophobicContact CZ-CG2 3.72Å; N243-V250 HydrophobicContact CB-CG2 4.33Å; N243-V250 VanDerWaalsContact ND2-CG2 3.34Å; N243-V250 WeakPolarHBondContact ND2-CG2 3.35Å; G247-V250 PolarHBondContact O-N 3.4Å; V250-Q252 PolarHBondContact O-N 3.03Å; V250-L255 HydrophobicContact CG1-CB 4Å; V250-L255 HydrophobicContact CG1-CD2 3.96Å
251	N	98.9	Very high	98.7	Very high	54 Å²	54	33.7 Å²	33.7	29%	0.289	18%	0.179	S	C	.	.			trans	-75.5	105.6	160	-175	-22.9	0	0	0	108.4	C227 D228 E253 D254 L255	C227-N251 PolarHBondContact O-N 2.79Å; D228-N251 HydrophobicContact CB-CB 4.49Å; N251-E253 VanDerWaalsContact C-N 3.31Å; N251-E253 PolarHBondContact O-N 2.91Å; N251-E253 PolarHBondContact OD1-N 2.86Å; N251-E253 VanDerWaalsContact OD1-N 3.08Å; N251-D254 HydrophobicContact CB-CB 4Å; N251-D254 WeakPolarHBondContact CB-OD2 3.46Å; N251-D254 VanDerWaalsContact ND2-CG 3.34Å; N251-D254 PolarHBondContact ND2-OD2 3.03Å; N251-D254 PolarHBondContact O-N 3.22Å; N251-D254 PolarHBondContact OD1-N 3.15Å; N251-L255 PolarHBondContact O-N 3.02Å
252	Q	98.8	Very high	98.7	Very high	18 Å²	18	35 Å²	35	8%	0.084	19%	0.192	C	C	.	.	H	α-helix	trans	-68.3	-27.3	-175.7	-70.9	-173.5	164.9	0	0	113.7	V250 Y256 T273 H281 L283	V250-Q252 PolarHBondContact O-N 3.03Å; Q252-Y256 WeakPolarHBondContact O-CB 3.49Å; Q252-Y256 PolarHBondContact O-N 3.3Å; Q252-T273 PolarHBondContact NE2-O 2.7Å; Q252-H281 PolarHBondContact NE2-NE2 3.45Å; Q252-L283 HydrophobicContact CB-CD1 4.09Å; Q252-L283 HydrophobicContact CG-CD1 4.16Å
253	E	98.8	Very high	98.7	Very high	154 Å²	154	38.6 Å²	38.6	72%	0.72	21%	0.209	S	C	*	.	H	α-helix	trans	-69.8	-46.3	175.2	-64.3	-179.3	176	0	0	109.9	N251 L255 Y256 E257	N251-E253 VanDerWaalsContact C-N 3.31Å; N251-E253 PolarHBondContact O-N 2.91Å; N251-E253 PolarHBondContact OD1-N 2.86Å; N251-E253 VanDerWaalsContact OD1-N 3.08Å; E253-L255 VanDerWaalsContact C-N 3.31Å; E253-L255 PolarHBondContact O-N 3.46Å; E253-Y256 WeakPolarHBondContact O-CB 3.25Å; E253-Y256 PolarHBondContact O-N 3.24Å; E253-E257 PolarHBondContact O-N 2.9Å
254	D	98.9	Very high	98.7	Very high	36 Å²	36	38.6 Å²	38.6	19%	0.193	21%	0.209	C	C	.	.	H	α-helix	trans	-63.8	-37.9	176.3	-67.7	-28.8	0	0	0	111.9	K229 F232 N251 E257 A258	K229-D254 HydrophobicContact CB-CB 4.18Å; K229-D254 VanDerWaalsContact N-CG 3.28Å; K229-D254 PolarHBondContact N-OD2 3.25Å; F232-D254 HydrophobicContact CD2-CB 4.11Å; F232-D254 HydrophobicContact CE2-CB 4.22Å; N251-D254 HydrophobicContact CB-CB 4Å; N251-D254 WeakPolarHBondContact CB-OD2 3.46Å; N251-D254 VanDerWaalsContact ND2-CG 3.34Å; N251-D254 PolarHBondContact ND2-OD2 3.03Å; N251-D254 PolarHBondContact O-N 3.22Å; N251-D254 PolarHBondContact OD1-N 3.15Å; D254-E257 PolarHBondContact O-N 3.18Å; D254-A258 VanDerWaalsContact O-CB 3.32Å; D254-A258 WeakPolarHBondContact O-CB 3.24Å; D254-A258 PolarHBondContact O-N 3.11Å
255	L	98.9	Very high	98.7	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-63.5	-44.9	174.2	177	62.1	0	0	0	111.4	F232 F241 V250 N251 E253 E257 A258 L259 I264 A267 L269 L283	F232-L255 HydrophobicContact CD1-CD1 4.49Å; F232-L255 HydrophobicContact CE1-CD1 3.8Å; F232-L255 HydrophobicContact CE2-CB 3.84Å; F232-L255 HydrophobicContact CE2-CD1 4.36Å; F232-L255 HydrophobicContact CZ-CB 3.86Å; F232-L255 HydrophobicContact CZ-CD1 3.73Å; F232-L255 HydrophobicContact CZ-CG 4.33Å; F241-L255 HydrophobicContact CD1-CD1 4.36Å; V250-L255 HydrophobicContact CG1-CB 4Å; V250-L255 HydrophobicContact CG1-CD2 3.96Å; N251-L255 PolarHBondContact O-N 3.02Å; E253-L255 VanDerWaalsContact C-N 3.31Å; E253-L255 PolarHBondContact O-N 3.46Å; L255-E257 VanDerWaalsContact C-N 3.35Å; L255-E257 PolarHBondContact O-N 3.27Å; L255-A258 PolarHBondContact O-N 2.94Å; L255-L259 HydrophobicContact CD1-CD1 3.88Å; L255-L259 HydrophobicContact CD1-CG 4.05Å; L255-L259 HydrophobicContact CG-CD1 3.86Å; L255-L259 HydrophobicContact CG-CG 4.45Å; L255-L259 VanDerWaalsContact O-CG 3.28Å; L255-L259 WeakPolarHBondContact O-CG 3.27Å; L255-L259 PolarHBondContact O-N 3.27Å; L255-I264 HydrophobicContact CD1-CD1 3.96Å; L255-A267 HydrophobicContact CD1-CB 3.93Å; L255-A267 HydrophobicContact CD2-CB 4.33Å; L255-L269 HydrophobicContact CD2-CD1 3.86Å; L255-L269 HydrophobicContact CD2-CD2 3.96Å; L255-L269 HydrophobicContact CD2-CG 4.37Å; L255-L283 HydrophobicContact CD2-CD2 4.35Å; L255-L283 HydrophobicContact CG-CD2 4.26Å
256	Y	98.9	Very high	98.8	Very high	53 Å²	53	38.9 Å²	38.9	21%	0.208	21%	0.213	C	C	.	.	H	α-helix	trans	-57.2	-49.6	176.2	170.5	-94.1	0	0	0	110.8	Q252 E253 A258 L259 N260 P282 L283 L286	Q252-Y256 WeakPolarHBondContact O-CB 3.49Å; Q252-Y256 PolarHBondContact O-N 3.3Å; E253-Y256 WeakPolarHBondContact O-CB 3.25Å; E253-Y256 PolarHBondContact O-N 3.24Å; Y256-A258 VanDerWaalsContact C-N 3.34Å; Y256-A258 PolarHBondContact O-N 3.01Å; Y256-L259 PolarHBondContact O-N 3.25Å; Y256-N260 HydrophobicContact CE1-CB 4.29Å; Y256-N260 WeakPolarHBondContact O-CB 3.06Å; Y256-N260 PolarHBondContact O-N 3.24Å; Y256-P282 HydrophobicContact CD2-CB 3.47Å; Y256-P282 VanDerWaalsContact CD2-CB 3.47Å; Y256-P282 HydrophobicContact CE2-CB 3.38Å; Y256-P282 HydrophobicContact CG-CB 4.1Å; Y256-L283 HydrophobicContact CD2-CD2 4.45Å; Y256-L286 HydrophobicContact CD2-CD1 3.61Å; Y256-L286 HydrophobicContact CD2-CD2 4.48Å; Y256-L286 HydrophobicContact CD2-CG 4.11Å; Y256-L286 HydrophobicContact CE2-CD1 3.96Å; Y256-L286 HydrophobicContact CE2-CD2 3.98Å; Y256-L286 HydrophobicContact CE2-CG 4.01Å
257	E	98.9	Very high	98.8	Very high	105 Å²	105	37 Å²	37	49%	0.491	21%	0.206	S	C	.	.	H	α-helix	trans	-62.3	-41.1	178.6	-71.2	-57.2	146.2	0	0	112	E253 D254 L255 L259 N260 S261	E253-E257 PolarHBondContact O-N 2.9Å; D254-E257 PolarHBondContact O-N 3.18Å; L255-E257 VanDerWaalsContact C-N 3.35Å; L255-E257 PolarHBondContact O-N 3.27Å; E257-L259 VanDerWaalsContact C-N 3.33Å; E257-L259 PolarHBondContact O-N 2.94Å; E257-N260 PolarHBondContact O-N 2.84Å; E257-S261 VanDerWaalsContact O-CB 3.24Å; E257-S261 WeakPolarHBondContact O-CB 3.46Å; E257-S261 PolarHBondContact O-N 2.98Å; E257-S261 PolarHBondContact O-OG 2.68Å
258	A	98.9	Very high	98.8	Very high	6 Å²	6	36.9 Å²	36.9	5%	0.05	20%	0.204	C	C	.	.	H	α-helix	trans	-62.8	-39.2	177.4	0	0	0	0	0	112.3	F232 D254 L255 Y256 G262 Q263 I264	F232-A258 HydrophobicContact CB-CB 3.74Å; F232-A258 HydrophobicContact CD2-CB 4.29Å; F232-A258 HydrophobicContact CG-CB 3.97Å; D254-A258 VanDerWaalsContact O-CB 3.32Å; D254-A258 WeakPolarHBondContact O-CB 3.24Å; D254-A258 PolarHBondContact O-N 3.11Å; L255-A258 PolarHBondContact O-N 2.94Å; Y256-A258 VanDerWaalsContact C-N 3.34Å; Y256-A258 PolarHBondContact O-N 3.01Å; A258-G262 PolarHBondContact O-N 2.97Å; A258-Q263 HydrophobicContact CB-CB 4.11Å; A258-Q263 HydrophobicContact CB-CG 4.41Å; A258-Q263 WeakPolarHBondContact O-CB 3.37Å; A258-Q263 PolarHBondContact O-N 3.46Å; A258-I264 HydrophobicContact CB-CD1 4.48Å; A258-I264 HydrophobicContact CB-CG1 4.28Å; A258-I264 PolarHBondContact O-N 3.45Å
259	L	98.9	Very high	98.8	Very high	5 Å²	5	35.6 Å²	35.6	3%	0.026	19%	0.193	C	C	.	.	H	α-helix	trans	-74.3	-44.6	177.5	-68.7	166.9	0	0	0	112.1	L255 Y256 E257 G262 I264 A267 L283 L286 C289	L255-L259 HydrophobicContact CD1-CD1 3.88Å; L255-L259 HydrophobicContact CD1-CG 4.05Å; L255-L259 HydrophobicContact CG-CD1 3.86Å; L255-L259 HydrophobicContact CG-CG 4.45Å; L255-L259 VanDerWaalsContact O-CG 3.28Å; L255-L259 WeakPolarHBondContact O-CG 3.27Å; L255-L259 PolarHBondContact O-N 3.27Å; Y256-L259 PolarHBondContact O-N 3.25Å; E257-L259 VanDerWaalsContact C-N 3.33Å; E257-L259 PolarHBondContact O-N 2.94Å; L259-G262 PolarHBondContact O-N 2.94Å; L259-I264 HydrophobicContact CD2-CD1 3.96Å; L259-I264 HydrophobicContact CD2-CG1 3.8Å; L259-I264 HydrophobicContact CG-CD1 4.37Å; L259-I264 HydrophobicContact CG-CG1 4.35Å; L259-A267 HydrophobicContact CD1-CB 3.97Å; L259-A267 HydrophobicContact CD2-CB 4.01Å; L259-A267 HydrophobicContact CG-CB 4.49Å; L259-L283 HydrophobicContact CD1-CD2 4.16Å; L259-L286 HydrophobicContact CB-CD1 3.66Å; L259-L286 HydrophobicContact CD1-CD1 4Å; L259-C289 HydrophobicContact CD1-CB 4.03Å
260	N	98.8	Very high	98.8	Very high	91 Å²	91	35.7 Å²	35.7	49%	0.487	19%	0.193	S	C	.	.	H	α-helix	trans	-67.1	-39.3	-177.5	-176.6	58.9	0	0	0	112.1	Y256 E257 G262 L286	Y256-N260 HydrophobicContact CE1-CB 4.29Å; Y256-N260 WeakPolarHBondContact O-CB 3.06Å; Y256-N260 PolarHBondContact O-N 3.24Å; E257-N260 PolarHBondContact O-N 2.84Å; N260-G262 VanDerWaalsContact C-N 3.28Å; N260-G262 PolarHBondContact O-N 3.32Å; N260-L286 HydrophobicContact CB-CD2 4.36Å
261	S	98.6	Very high	98.8	Very high	83 Å²	83	35.3 Å²	35.3	58%	0.58	19%	0.191	S	C	*	.	T	Hydrogen-bonded Turn	trans	-78.5	-9.8	175.4	64.4	0	0	0	0	113.9	E257 Q263	E257-S261 VanDerWaalsContact O-CB 3.24Å; E257-S261 WeakPolarHBondContact O-CB 3.46Å; E257-S261 PolarHBondContact O-N 2.98Å; E257-S261 PolarHBondContact O-OG 2.68Å; S261-Q263 VanDerWaalsContact C-N 3.33Å
262	G	98.4	Very high	98.8	Very high	26 Å²	26	33.2 Å²	33.2	27%	0.268	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	68.5	29.9	-174.2	0	0	0	0	0	113.5	K237 A258 L259 N260 I264	K237-G262 VanDerWaalsContact CE-O 3.26Å; K237-G262 WeakPolarHBondContact CE-O 3.47Å; K237-G262 WeakPolarHBondContact CG-O 3.46Å; A258-G262 PolarHBondContact O-N 2.97Å; L259-G262 PolarHBondContact O-N 2.94Å; N260-G262 VanDerWaalsContact C-N 3.28Å; N260-G262 PolarHBondContact O-N 3.32Å; G262-I264 VanDerWaalsContact C-N 3.29Å
263	Q	98.6	Very high	98.8	Very high	76 Å²	76	35.6 Å²	35.6	36%	0.355	20%	0.196	S	C	.	.	S	Bend	trans	-65.5	-33.5	170.2	178.2	65.4	38.6	0	0	111.5	F232 S233 K237 A258 S261	F232-Q263 WeakPolarHBondContact O-CG 3.32Å; F232-Q263 PolarHBondContact O-NE2 3.49Å; S233-Q263 PolarHBondContact O-NE2 2.78Å; K237-Q263 WeakPolarHBondContact CA-O 3.36Å; A258-Q263 HydrophobicContact CB-CB 4.11Å; A258-Q263 HydrophobicContact CB-CG 4.41Å; A258-Q263 WeakPolarHBondContact O-CB 3.37Å; A258-Q263 PolarHBondContact O-N 3.46Å; S261-Q263 VanDerWaalsContact C-N 3.33Å
264	I	98.9	Very high	98.8	Very high	1 Å²	1	32.1 Å²	32.1	1%	0.005	19%	0.187	C	C	.	.	S	Bend	trans	-129.3	162.7	170	66	175.2	0	0	0	109.7	F232 M235 K237 F241 L255 A258 L259 G262	F232-I264 HydrophobicContact CD1-CD1 4.1Å; F232-I264 HydrophobicContact CE1-CD1 4.42Å; M235-I264 HydrophobicContact CB-CG2 3.59Å; M235-I264 HydrophobicContact CE-CG2 4.27Å; M235-I264 HydrophobicContact CG-CG2 4.36Å; M235-I264 HydrophobicContact SD-CG2 4.04Å; K237-I264 CarbonylContact O-C 3.56Å; F241-I264 HydrophobicContact CB-CD1 4.14Å; L255-I264 HydrophobicContact CD1-CD1 3.96Å; A258-I264 HydrophobicContact CB-CD1 4.48Å; A258-I264 HydrophobicContact CB-CG1 4.28Å; A258-I264 PolarHBondContact O-N 3.45Å; L259-I264 HydrophobicContact CD2-CD1 3.96Å; L259-I264 HydrophobicContact CD2-CG1 3.8Å; L259-I264 HydrophobicContact CG-CD1 4.37Å; L259-I264 HydrophobicContact CG-CG1 4.35Å; G262-I264 VanDerWaalsContact C-N 3.29Å
265	A	98.9	Very high	98.8	Very high	18 Å²	18	34.1 Å²	34.1	15%	0.149	20%	0.195	C	C	.	.	S	Bend	trans	-76.1	-48.8	-172.3	0	0	0	0	0	112.8	Y151 K237 A239 N288	Y151-A265 HydrophobicContact CD2-CB 4.12Å; Y151-A265 HydrophobicContact CE2-CB 3.41Å; Y151-A265 VanDerWaalsContact CE2-CB 3.41Å; K237-A265 PolarHBondContact O-N 3.29Å; K237-A265 VanDerWaalsContact O-N 3.11Å; A239-A265 WeakPolarHBondContact O-CB 3.19Å; A239-A265 PolarHBondContact O-N 3Å; A265-N288 WeakPolarHBondContact O-CB 3.44Å; A265-N288 PolarHBondContact O-ND2 3.31Å
266	A	98.9	Very high	98.7	Very high	9 Å²	9	39.8 Å²	39.8	7%	0.074	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-162.6	163.9	-174.9	0	0	0	0	0	111.7	T124 V240 F241 N288	T124-A266 HydrophobicContact CG2-CB 3.68Å; V240-A266 WeakPolarHBondContact CA-O 3.44Å; V240-A266 HydrophobicContact CG2-CB 4.47Å; F241-A266 PolarHBondContact N-O 3.08Å; A266-N288 CarbonylContact C-O 3.43Å; A266-N288 WeakPolarHBondContact CA-O 3.38Å; A266-N288 HydrophobicContact CB-CB 4.11Å; A266-N288 VanDerWaalsContact CB-O 3.32Å; A266-N288 WeakPolarHBondContact CB-O 3.4Å
267	A	99	Very high	98.7	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	148.2	171.9	0	0	0	0	0	113.2	T124 F241 L255 L259 N288 C289 V290	T124-A267 VanDerWaalsContact CG2-C 3.48Å; T124-A267 WeakPolarHBondContact CG2-O 3.27Å; F241-A267 HydrophobicContact CB-CB 4.31Å; F241-A267 HydrophobicContact CD1-CB 4.25Å; F241-A267 CarbonylContact O-C 3.2Å; F241-A267 WeakPolarHBondContact O-CA 3.42Å; L255-A267 HydrophobicContact CD1-CB 3.93Å; L255-A267 HydrophobicContact CD2-CB 4.33Å; L259-A267 HydrophobicContact CD1-CB 3.97Å; L259-A267 HydrophobicContact CD2-CB 4.01Å; L259-A267 HydrophobicContact CG-CB 4.49Å; A267-N288 PolarHBondContact N-O 3.16Å; A267-C289 CarbonylContact O-C 3.57Å; A267-C289 WeakPolarHBondContact O-CA 3.37Å; A267-V290 PolarHBondContact O-N 2.79Å
268	G	98.9	Very high	98.7	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	124.1	172.6	0	0	0	0	0	110.3	F241 I242 N243 V290	F241-G268 PolarHBondContact O-N 3.33Å; I242-G268 CarbonylContact C-O 3.5Å; I242-G268 VanDerWaalsContact CA-O 3.28Å; I242-G268 WeakPolarHBondContact CA-O 3.11Å; N243-G268 PolarHBondContact N-O 2.89Å; G268-V290 CarbonylContact C-O 3.55Å; G268-V290 VanDerWaalsContact CA-O 3.31Å; G268-V290 WeakPolarHBondContact CA-O 3.4Å
269	L	98.9	Very high	98.7	Very high	2 Å²	2	41.9 Å²	41.9	1%	0.01	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	120.3	-176.8	-52.5	177.6	0	0	0	109.6	F241 N243 L255 V271 L283 V290 V291 L292	F241-L269 HydrophobicContact CD1-CD2 4.45Å; F241-L269 HydrophobicContact CE1-CD2 4.18Å; N243-L269 HydrophobicContact CB-CD2 3.87Å; L255-L269 HydrophobicContact CD2-CD1 3.86Å; L255-L269 HydrophobicContact CD2-CD2 3.96Å; L255-L269 HydrophobicContact CD2-CG 4.37Å; L269-V271 VanDerWaalsContact C-N 3.33Å; L269-L283 HydrophobicContact CD1-CD1 4.08Å; L269-V290 PolarHBondContact N-O 2.91Å; L269-V291 HydrophobicContact CD1-CG2 4.37Å; L269-V291 CarbonylContact O-C 3.58Å; L269-V291 WeakPolarHBondContact O-CA 3.35Å; L269-L292 PolarHBondContact O-N 3.15Å
270	D	98.9	Very high	98.6	Very high	2 Å²	2	48.2 Å²	48.2	1%	0.011	29%	0.291	C	S	.	.	S	Bend	trans	-87.5	-11	163.9	-168.7	49	0	0	0	111.7	L116 L120 N243 L292 H294 I295 G296	L116-D270 HydrophobicContact CD2-CB 4.33Å; L116-D270 VanDerWaalsContact CD2-CG 3.5Å; L116-D270 WeakPolarHBondContact CD2-OD1 3.38Å; L120-D270 HydrophobicContact CD2-CB 4.13Å; N243-D270 PolarHBondContact O-N 3.27Å; D270-L292 CarbonylContact C-O 3.55Å; D270-L292 WeakPolarHBondContact OD1-CB 3.38Å; D270-H294 WeakPolarHBondContact O-CA 3.16Å; D270-H294 PolarHBondContact O-N 3.12Å; D270-H294 WeakPolarHBondContact OD1-CA 3.44Å; D270-H294 PolarHBondContact OD1-N 3.39Å; D270-I295 PolarHBondContact OD1-N 2.94Å; D270-I295 PolarHBondContact OD2-N 3.33Å; D270-G296 WeakPolarHBondContact OD2-CA 3.22Å; D270-G296 PolarHBondContact OD2-N 3.37Å
271	V	98.9	Very high	98.6	Very high	2 Å²	2	45.7 Å²	45.7	1%	0.012	28%	0.276	C	S	.	.			trans	-137.2	145.7	-172.4	-67.2	0	0	0	0	110.7	N243 L269 E275	N243-V271 HydrophobicContact CB-CG2 4.46Å; N243-V271 WeakPolarHBondContact ND2-CG2 3.12Å; L269-V271 VanDerWaalsContact C-N 3.33Å; V271-E275 VanDerWaalsContact CA-OE1 3.23Å; V271-E275 WeakPolarHBondContact CA-OE1 3.4Å; V271-E275 WeakPolarHBondContact CB-OE1 3.43Å
272	T	98.9	Very high	98.6	Very high	11 Å²	11	44.6 Å²	44.6	7%	0.067	27%	0.267	C	S	.	.			trans	-142.7	174.7	-173.8	57	0	0	0	0	112.2	G247 P274 E275 L277 V291	G247-T272 WeakPolarHBondContact CA-O 3.43Å; T272-P274 PolarHBondContact OG1-O 2.94Å; T272-P274 VanDerWaalsContact OG1-O 3.11Å; T272-E275 PolarHBondContact N-OE1 3.09Å; T272-E275 VanDerWaalsContact OG1-CG 3.29Å; T272-E275 WeakPolarHBondContact OG1-CG 3.15Å; T272-L277 HydrophobicContact CG2-CB 4.25Å; T272-L277 HydrophobicContact CG2-CD1 4.47Å; T272-L277 HydrophobicContact CG2-CD2 4.15Å; T272-V291 HydrophobicContact CG2-CG1 3.68Å
273	T	98.1	Very high	98.6	Very high	68 Å²	68	43.4 Å²	43.4	42%	0.417	25%	0.254	S	S	.	.	S	Bend	trans	-136.8	116.3	174.3	-63.5	0	0	0	0	109.5	G247 A248 Q252	G247-T273 WeakPolarHBondContact CA-OG1 3.36Å; A248-T273 PolarHBondContact N-OG1 3.37Å; A248-T273 VanDerWaalsContact N-OG1 3.09Å; Q252-T273 PolarHBondContact NE2-O 2.7Å
274	P	98.4	Very high	98.6	Very high	80 Å²	80	43.7 Å²	43.7	52%	0.519	26%	0.258	S	S	.	.	S	Bend	cis	-71.8	174.6	-9.3	34.8	-36.7	0	0	0	112.1	T272 P276 L277	T272-P274 PolarHBondContact OG1-O 2.94Å; T272-P274 VanDerWaalsContact OG1-O 3.11Å; P274-P276 CarbonylContact O-C 3.57Å; P274-L277 PolarHBondContact O-N 2.9Å
275	E	98.2	Very high	98.6	Very high	79 Å²	79	48.4 Å²	48.4	37%	0.369	29%	0.287	S	S	.	.	S	Bend	trans	-112.8	123.4	164.1	-78.1	174.3	-157.1	0	0	109.2	V271 T272 H294	V271-E275 VanDerWaalsContact CA-OE1 3.23Å; V271-E275 WeakPolarHBondContact CA-OE1 3.4Å; V271-E275 WeakPolarHBondContact CB-OE1 3.43Å; T272-E275 PolarHBondContact N-OE1 3.09Å; T272-E275 VanDerWaalsContact OG1-CG 3.29Å; T272-E275 WeakPolarHBondContact OG1-CG 3.15Å; E275-H294 IonicContact OE1-ND1 3.98Å; E275-H294 IonicContact OE2-CE1 2.7Å; E275-H294 IonicContact OE2-CG 2.91Å; E275-H294 IonicContact OE2-ND1 3.68Å; E275-H294 PolarHBondContact OE2-ND1 3.39Å
276	P	98.1	Very high	98.6	Very high	118 Å²	118	48.6 Å²	48.6	77%	0.766	29%	0.285	S	S	*	.	S	Bend	cis	-71.4	148.4	-0.6	31.2	-35.6	0	0	0	113	P274	P274-P276 CarbonylContact O-C 3.57Å
277	L	98.4	Very high	98.6	Very high	21 Å²	21	55.7 Å²	55.7	11%	0.11	32%	0.315	C	S	.	.	P	Polyproline II helix	trans	-66.6	132.1	171.1	-168.8	69.4	0	0	0	109.5	T272 P274 T279 H281 L284 V291	T272-L277 HydrophobicContact CG2-CB 4.25Å; T272-L277 HydrophobicContact CG2-CD1 4.47Å; T272-L277 HydrophobicContact CG2-CD2 4.15Å; P274-L277 PolarHBondContact O-N 2.9Å; L277-T279 PolarHBondContact O-N 2.88Å; L277-H281 HydrophobicContact CD1-CB 4.09Å; L277-H281 HydrophobicContact CD2-CB 4Å; L277-H281 HydrophobicContact CG-CB 3.77Å; L277-L284 HydrophobicContact CD2-CD1 4.35Å; L277-L284 HydrophobicContact CD2-CD2 4.14Å; L277-L284 HydrophobicContact CD2-CG 4.03Å; L277-V291 HydrophobicContact CD2-CG1 4.49Å
278	P	98.6	Very high	98.6	Very high	54 Å²	54	57.6 Å²	57.6	35%	0.351	33%	0.325	S	S	.	.	P	Polyproline II helix	trans	-56.4	138.3	176.6	-26.5	35.7	0	0	0	111.8	N280 H281 L284	P278-N280 VanDerWaalsContact CB-OD1 3.27Å; P278-N280 WeakPolarHBondContact CB-OD1 3.43Å; P278-N280 PolarHBondContact O-N 3.33Å; P278-N280 VanDerWaalsContact O-N 3.15Å; P278-H281 WeakPolarHBondContact O-CB 3.45Å; P278-H281 PolarHBondContact O-N 3.46Å; P278-L284 WeakPolarHBondContact O-CD1 3.4Å
279	T	98.3	Very high	98.6	Very high	134 Å²	134	58.4 Å²	58.4	82%	0.822	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.9	-17.4	-176.8	53	0	0	0	0	113.7	L277	L277-T279 PolarHBondContact O-N 2.88Å
280	N	97.9	Very high	98.6	Very high	138 Å²	138	59.4 Å²	59.4	74%	0.738	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94	9.1	173.2	67.2	-17.4	0	0	0	113.4	P278	P278-N280 VanDerWaalsContact CB-OD1 3.27Å; P278-N280 WeakPolarHBondContact CB-OD1 3.43Å; P278-N280 PolarHBondContact O-N 3.33Å; P278-N280 VanDerWaalsContact O-N 3.15Å
281	H	98.6	Very high	98.6	Very high	38 Å²	38	61.2 Å²	61.2	18%	0.176	35%	0.348	C	S	.	.			trans	-67	137.7	-178	-170.2	-86.7	0	0	0	111.6	Q252 L277 P278 L283 L284	Q252-H281 PolarHBondContact NE2-NE2 3.45Å; L277-H281 HydrophobicContact CD1-CB 4.09Å; L277-H281 HydrophobicContact CD2-CB 4Å; L277-H281 HydrophobicContact CG-CB 3.77Å; P278-H281 WeakPolarHBondContact O-CB 3.45Å; P278-H281 PolarHBondContact O-N 3.46Å; H281-L283 VanDerWaalsContact C-N 3.28Å; H281-L283 PolarHBondContact ND1-N 2.71Å; H281-L283 PolarHBondContact O-N 2.72Å; H281-L283 VanDerWaalsContact O-N 3.14Å; H281-L284 WeakPolarHBondContact O-CB 3.27Å; H281-L284 PolarHBondContact O-N 2.81Å
282	P	98.6	Very high	98.6	Very high	60 Å²	60	63.2 Å²	63.2	39%	0.39	36%	0.358	S	S	.	.	G	3₁₀ helix	trans	-55.1	-34.9	-175.6	-28.6	35.3	0	0	0	115.2	Y256 L284 T285	Y256-P282 HydrophobicContact CD2-CB 3.47Å; Y256-P282 VanDerWaalsContact CD2-CB 3.47Å; Y256-P282 HydrophobicContact CE2-CB 3.38Å; Y256-P282 HydrophobicContact CG-CB 4.1Å; P282-L284 PolarHBondContact O-N 3.21Å; P282-T285 PolarHBondContact O-N 3.35Å; P282-T285 PolarHBondContact O-OG1 2.96Å
283	L	98.8	Very high	98.5	Very high	0 Å²	0	67.8 Å²	67.8	0%	0	39%	0.388	C	S	.	.	G	3₁₀ helix	trans	-56.8	-31.5	175.9	-70.2	173.1	0	0	0	113.4	Q252 L255 Y256 L259 L269 H281 T285 L286	Q252-L283 HydrophobicContact CB-CD1 4.09Å; Q252-L283 HydrophobicContact CG-CD1 4.16Å; L255-L283 HydrophobicContact CD2-CD2 4.35Å; L255-L283 HydrophobicContact CG-CD2 4.26Å; Y256-L283 HydrophobicContact CD2-CD2 4.45Å; L259-L283 HydrophobicContact CD1-CD2 4.16Å; L269-L283 HydrophobicContact CD1-CD1 4.08Å; H281-L283 VanDerWaalsContact C-N 3.28Å; H281-L283 PolarHBondContact ND1-N 2.71Å; H281-L283 PolarHBondContact O-N 2.72Å; H281-L283 VanDerWaalsContact O-N 3.14Å; L283-T285 PolarHBondContact O-N 3.01Å; L283-L286 HydrophobicContact CD2-CD1 4.36Å; L283-L286 PolarHBondContact O-N 3.35Å
284	L	98.7	Very high	98.6	Very high	82 Å²	82	66.5 Å²	66.5	43%	0.429	38%	0.377	S	S	.	.	G	3₁₀ helix	trans	-77	-8.6	-179.9	-60.3	180	0	0	0	113	L277 P278 H281 P282 V291	L277-L284 HydrophobicContact CD2-CD1 4.35Å; L277-L284 HydrophobicContact CD2-CD2 4.14Å; L277-L284 HydrophobicContact CD2-CG 4.03Å; P278-L284 WeakPolarHBondContact O-CD1 3.4Å; H281-L284 WeakPolarHBondContact O-CB 3.27Å; H281-L284 PolarHBondContact O-N 2.81Å; P282-L284 PolarHBondContact O-N 3.21Å; L284-V291 HydrophobicContact CD2-CB 4.06Å; L284-V291 HydrophobicContact CD2-CG2 3.94Å
285	T	98.6	Very high	98.6	Very high	101 Å²	101	65.6 Å²	65.6	62%	0.62	37%	0.367	S	S	*	.	G	3₁₀ helix	trans	-87.4	-9.4	173.6	76.4	0	0	0	0	112.6	P282 L283	P282-T285 PolarHBondContact O-N 3.35Å; P282-T285 PolarHBondContact O-OG1 2.96Å; L283-T285 PolarHBondContact O-N 3.01Å
286	L	98.8	Very high	98.6	Very high	21 Å²	21	62.1 Å²	62.1	11%	0.11	35%	0.353	C	S	.	.			trans	-94.3	121.8	-173.7	-60.9	-178.8	0	0	0	111.4	Y256 L259 N260 L283 N288 C289	Y256-L286 HydrophobicContact CD2-CD1 3.61Å; Y256-L286 HydrophobicContact CD2-CD2 4.48Å; Y256-L286 HydrophobicContact CD2-CG 4.11Å; Y256-L286 HydrophobicContact CE2-CD1 3.96Å; Y256-L286 HydrophobicContact CE2-CD2 3.98Å; Y256-L286 HydrophobicContact CE2-CG 4.01Å; L259-L286 HydrophobicContact CB-CD1 3.66Å; L259-L286 HydrophobicContact CD1-CD1 4Å; N260-L286 HydrophobicContact CB-CD2 4.36Å; L283-L286 HydrophobicContact CD2-CD1 4.36Å; L283-L286 PolarHBondContact O-N 3.35Å; L286-N288 PolarHBondContact O-N 2.83Å; L286-C289 HydrophobicContact CB-CB 3.94Å; L286-C289 PolarHBondContact O-N 2.99Å
287	K	98.5	Very high	98.6	Very high	158 Å²	158	57.4 Å²	57.4	69%	0.687	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.1	-23.4	178.6	-64.3	-172.8	178.7	-172	0	113.8	E130	E130-K287 HydrophobicContact CG-CB 4.2Å
288	N	98.8	Very high	98.6	Very high	41 Å²	41	58.9 Å²	58.9	22%	0.219	34%	0.337	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96.4	16.3	177.9	66	-28.7	0	0	0	113.2	A265 A266 A267 L286	A265-N288 WeakPolarHBondContact O-CB 3.44Å; A265-N288 PolarHBondContact O-ND2 3.31Å; A266-N288 CarbonylContact C-O 3.43Å; A266-N288 WeakPolarHBondContact CA-O 3.38Å; A266-N288 HydrophobicContact CB-CB 4.11Å; A266-N288 VanDerWaalsContact CB-O 3.32Å; A266-N288 WeakPolarHBondContact CB-O 3.4Å; A267-N288 PolarHBondContact N-O 3.16Å; L286-N288 PolarHBondContact O-N 2.83Å
289	C	98.9	Very high	98.6	Very high	17 Å²	17	58.7 Å²	58.7	12%	0.115	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	121.5	171	-165.1	0	0	0	0	109.8	L259 A267 L286	L259-C289 HydrophobicContact CD1-CB 4.03Å; A267-C289 CarbonylContact O-C 3.57Å; A267-C289 WeakPolarHBondContact O-CA 3.37Å; L286-C289 HydrophobicContact CB-CB 3.94Å; L286-C289 PolarHBondContact O-N 2.99Å
290	V	98.9	Very high	98.6	Very high	22 Å²	22	63 Å²	63	13%	0.133	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	126.4	173.7	-174.6	0	0	0	0	108.2	L120 T124 P129 A267 G268 L269	L120-V290 HydrophobicContact CD1-CB 4.1Å; L120-V290 HydrophobicContact CD1-CG1 3.79Å; T124-V290 HydrophobicContact CG2-CG2 4.31Å; P129-V290 HydrophobicContact CG-CG1 4.31Å; P129-V290 HydrophobicContact CG-CG2 3.88Å; A267-V290 PolarHBondContact O-N 2.79Å; G268-V290 CarbonylContact C-O 3.55Å; G268-V290 VanDerWaalsContact CA-O 3.31Å; G268-V290 WeakPolarHBondContact CA-O 3.4Å; L269-V290 PolarHBondContact N-O 2.91Å
291	V	98.9	Very high	98.6	Very high	41 Å²	41	60.4 Å²	60.4	25%	0.248	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123	127.4	178.6	-174.5	0	0	0	0	109.2	L269 T272 L277 L284	L269-V291 HydrophobicContact CD1-CG2 4.37Å; L269-V291 CarbonylContact O-C 3.58Å; L269-V291 WeakPolarHBondContact O-CA 3.35Å; T272-V291 HydrophobicContact CG2-CG1 3.68Å; L277-V291 HydrophobicContact CD2-CG1 4.49Å; L284-V291 HydrophobicContact CD2-CB 4.06Å; L284-V291 HydrophobicContact CD2-CG2 3.94Å
292	L	98.9	Very high	98.6	Very high	43 Å²	43	59.4 Å²	59.4	23%	0.225	33%	0.327	C	S	.	.			trans	-112.1	152	174.5	-55.8	179.5	0	0	0	109.9	L116 L120 L269 D270 H294 I295	L116-L292 HydrophobicContact CD1-CD1 4.05Å; L116-L292 HydrophobicContact CD2-CD1 4.31Å; L116-L292 HydrophobicContact CG-CD1 4.33Å; L120-L292 HydrophobicContact CB-CD1 4.23Å; L120-L292 HydrophobicContact CD1-CD1 3.86Å; L120-L292 HydrophobicContact CD1-CG 4.04Å; L120-L292 HydrophobicContact CD2-CD1 4.32Å; L120-L292 HydrophobicContact CG-CD1 4.36Å; L269-L292 PolarHBondContact O-N 3.15Å; D270-L292 CarbonylContact C-O 3.55Å; D270-L292 WeakPolarHBondContact OD1-CB 3.38Å; L292-H294 VanDerWaalsContact C-N 3.31Å; L292-H294 PolarHBondContact O-N 3.03Å; L292-H294 VanDerWaalsContact O-N 3.12Å; L292-I295 HydrophobicContact CB-CD1 4.41Å; L292-I295 HydrophobicContact CB-CG1 4.23Å; L292-I295 HydrophobicContact CD1-CD1 4.25Å; L292-I295 HydrophobicContact CD1-CG1 4.32Å
293	P	98.6	Very high	98.6	Very high	108 Å²	108	60.7 Å²	60.7	70%	0.701	33%	0.325	S	S	*	.			trans	-89.9	58	-174.4	36.1	-34.6	0	0	0	112.2	I295	P293-I295 HydrophobicContact CG-CG2 3.93Å; P293-I295 PolarHBondContact O-N 3.02Å
294	H	98.6	Very high	98.6	Very high	40 Å²	40	60.8 Å²	60.8	19%	0.185	33%	0.325	C	S	.	.	S	Bend	trans	54.8	55.6	175.4	-157.5	156.2	0	0	0	113.6	D270 E275 L292	D270-H294 WeakPolarHBondContact O-CA 3.16Å; D270-H294 PolarHBondContact O-N 3.12Å; D270-H294 WeakPolarHBondContact OD1-CA 3.44Å; D270-H294 PolarHBondContact OD1-N 3.39Å; E275-H294 IonicContact OE1-ND1 3.98Å; E275-H294 IonicContact OE2-CE1 2.7Å; E275-H294 IonicContact OE2-CG 2.91Å; E275-H294 IonicContact OE2-ND1 3.68Å; E275-H294 PolarHBondContact OE2-ND1 3.39Å; L292-H294 VanDerWaalsContact C-N 3.31Å; L292-H294 PolarHBondContact O-N 3.03Å; L292-H294 VanDerWaalsContact O-N 3.12Å
295	I	98.7	Very high	98.5	Very high	62 Å²	62	60.6 Å²	60.6	32%	0.318	33%	0.327	S	S	.	.			trans	-100.7	13.5	-175.7	61.9	174.3	0	0	0	113.2	L116 D270 L292 P293 S297 A298	L116-I295 HydrophobicContact CD1-CD1 3.96Å; L116-I295 HydrophobicContact CD1-CG1 3.86Å; L116-I295 VanDerWaalsContact CD2-C 3.41Å; L116-I295 HydrophobicContact CD2-CB 4.43Å; L116-I295 HydrophobicContact CD2-CG1 3.61Å; L116-I295 HydrophobicContact CG-CG1 4.4Å; D270-I295 PolarHBondContact OD1-N 2.94Å; D270-I295 PolarHBondContact OD2-N 3.33Å; L292-I295 HydrophobicContact CB-CD1 4.41Å; L292-I295 HydrophobicContact CB-CG1 4.23Å; L292-I295 HydrophobicContact CD1-CD1 4.25Å; L292-I295 HydrophobicContact CD1-CG1 4.32Å; P293-I295 HydrophobicContact CG-CG2 3.93Å; P293-I295 PolarHBondContact O-N 3.02Å; I295-S297 VanDerWaalsContact C-N 3.32Å; I295-S297 PolarHBondContact O-N 3.26Å; I295-S297 VanDerWaalsContact O-N 3.11Å; I295-A298 HydrophobicContact CB-CB 3.81Å; I295-A298 HydrophobicContact CG2-CB 4.38Å; I295-A298 WeakPolarHBondContact O-CB 3.27Å; I295-A298 PolarHBondContact O-N 2.75Å
296	G	98.4	Very high	98.6	Very high	6 Å²	6	56 Å²	56	6%	0.062	30%	0.299	C	S	.	.	T	Hydrogen-bonded Turn	trans	-38.6	-54.3	-178.7	0	0	0	0	0	115.1	A112 T113 D270	A112-G296 CarbonylContact C-O 3.5Å; A112-G296 VanDerWaalsContact O-O 3.1Å; T113-G296 VanDerWaalsContact CA-O 3.22Å; T113-G296 WeakPolarHBondContact CA-O 3.27Å; T113-G296 PolarHBondContact N-O 3.35Å; D270-G296 WeakPolarHBondContact OD2-CA 3.22Å; D270-G296 PolarHBondContact OD2-N 3.37Å
297	S	98.2	Very high	98.6	Very high	18 Å²	18	55 Å²	55	13%	0.126	29%	0.294	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.7	13	-177.2	62.9	0	0	0	0	114.5	I295 T299 R303	I295-S297 VanDerWaalsContact C-N 3.32Å; I295-S297 PolarHBondContact O-N 3.26Å; I295-S297 VanDerWaalsContact O-N 3.11Å; S297-T299 VanDerWaalsContact C-N 3.28Å; S297-T299 PolarHBondContact O-N 3.25Å; S297-R303 PolarHBondContact O-NE 3.15Å; S297-R303 PolarHBondContact OG-NE 3.13Å
298	A	98.1	Very high	98.6	Very high	52 Å²	52	48.3 Å²	48.3	43%	0.43	27%	0.268	S	S	.	.			trans	-82.2	60.4	-164.5	0	0	0	0	0	114.2	I295	I295-A298 HydrophobicContact CB-CB 3.81Å; I295-A298 HydrophobicContact CG2-CB 4.38Å; I295-A298 WeakPolarHBondContact O-CB 3.27Å; I295-A298 PolarHBondContact O-N 2.75Å
299	T	98.4	Very high	98.6	Very high	50 Å²	50	47 Å²	47	31%	0.307	26%	0.261	S	S	.	.	S	Bend	trans	-112.3	149.6	161.1	74.1	0	0	0	0	109.1	A112 S297 S301 T302 R303	A112-T299 HydrophobicContact CB-CG2 4.11Å; S297-T299 VanDerWaalsContact C-N 3.28Å; S297-T299 PolarHBondContact O-N 3.25Å; T299-S301 VanDerWaalsContact C-N 3.31Å; T299-S301 PolarHBondContact O-N 2.87Å; T299-S301 PolarHBondContact OG1-OG 3.15Å; T299-T302 PolarHBondContact O-N 3.14Å; T299-T302 WeakPolarHBondContact OG1-CB 3.47Å; T299-T302 PolarHBondContact OG1-N 2.74Å; T299-T302 VanDerWaalsContact OG1-N 3.09Å; T299-T302 PolarHBondContact OG1-OG1 3.31Å; T299-R303 WeakPolarHBondContact O-CB 3.33Å; T299-R303 WeakPolarHBondContact O-CG 3.48Å; T299-R303 PolarHBondContact O-N 3.13Å
300	Y	98.1	Very high	98.6	Very high	225 Å²	225	46.2 Å²	46.2	88%	0.882	26%	0.255	S	S	*	.	H	α-helix	trans	-56.4	-46.8	178.8	-73.1	-74.1	0	0	0	111.6	R303 G304	Y300-R303 PolarHBondContact O-N 2.74Å; Y300-G304 PolarHBondContact O-N 3.29Å
301	S	97.9	Very high	98.5	Very high	84 Å²	84	45.2 Å²	45.2	59%	0.587	25%	0.249	S	C	*	.	H	α-helix	trans	-63.1	-46.9	179.7	53.4	0	0	0	0	112.4	T299 G304 V305	T299-S301 VanDerWaalsContact C-N 3.31Å; T299-S301 PolarHBondContact O-N 2.87Å; T299-S301 PolarHBondContact OG1-OG 3.15Å; S301-G304 PolarHBondContact O-N 3.39Å; S301-V305 WeakPolarHBondContact O-CG2 3.25Å; S301-V305 PolarHBondContact O-N 2.96Å
302	T	98.6	Very high	98.5	Very high	16 Å²	16	47.4 Å²	47.4	10%	0.098	26%	0.257	C	S	.	.	H	α-helix	trans	-64	-44.5	178.9	-64.8	0	0	0	0	111.3	L109 A112 T299 G304 V305 M306	L109-T302 HydrophobicContact CB-CG2 3.67Å; A112-T302 HydrophobicContact CB-CG2 4.09Å; A112-T302 WeakPolarHBondContact CB-OG1 3.41Å; T299-T302 PolarHBondContact O-N 3.14Å; T299-T302 WeakPolarHBondContact OG1-CB 3.47Å; T299-T302 PolarHBondContact OG1-N 2.74Å; T299-T302 VanDerWaalsContact OG1-N 3.09Å; T299-T302 PolarHBondContact OG1-OG1 3.31Å; T302-G304 VanDerWaalsContact C-N 3.33Å; T302-G304 PolarHBondContact O-N 3.39Å; T302-V305 PolarHBondContact O-N 2.92Å; T302-M306 HydrophobicContact CG2-CG 4.32Å; T302-M306 HydrophobicContact CG2-SD 3.86Å; T302-M306 WeakPolarHBondContact O-CB 3.22Å; T302-M306 VanDerWaalsContact O-CG 3.22Å; T302-M306 WeakPolarHBondContact O-CG 3.41Å; T302-M306 PolarHBondContact O-N 2.91Å
303	R	98.6	Very high	98.5	Very high	88 Å²	88	45.4 Å²	45.4	33%	0.332	25%	0.246	S	C	.	.	H	α-helix	trans	-64.2	-38.4	177.1	-68.1	-65.6	-178.8	83.4	-3.6	111.7	P17 M83 S297 T299 Y300 M306 S307	P17-R303 HydrophobicContact CG-CB 4.05Å; M83-R303 HydrophobicContact CE-CB 4.39Å; M83-R303 WeakPolarHBondContact CE-O 3.5Å; S297-R303 PolarHBondContact O-NE 3.15Å; S297-R303 PolarHBondContact OG-NE 3.13Å; T299-R303 WeakPolarHBondContact O-CB 3.33Å; T299-R303 WeakPolarHBondContact O-CG 3.48Å; T299-R303 PolarHBondContact O-N 3.13Å; Y300-R303 PolarHBondContact O-N 2.74Å; R303-M306 PolarHBondContact O-N 3.39Å; R303-S307 WeakPolarHBondContact O-CB 3.49Å; R303-S307 PolarHBondContact O-N 3.38Å
304	G	98.6	Very high	98.5	Very high	1 Å²	1	40.2 Å²	40.2	1%	0.01	21%	0.213	C	C	.	.	H	α-helix	trans	-60	-50.9	173.6	0	0	0	0	0	112.7	E19 Y300 S301 T302 M306 S307 A308	E19-G304 VanDerWaalsContact OE2-CA 3.22Å; E19-G304 WeakPolarHBondContact OE2-CA 3.31Å; Y300-G304 PolarHBondContact O-N 3.29Å; S301-G304 PolarHBondContact O-N 3.39Å; T302-G304 VanDerWaalsContact C-N 3.33Å; T302-G304 PolarHBondContact O-N 3.39Å; G304-M306 PolarHBondContact O-N 2.85Å; G304-S307 WeakPolarHBondContact O-CB 3.47Å; G304-S307 PolarHBondContact O-N 2.83Å; G304-A308 PolarHBondContact O-N 3.3Å
305	V	98.6	Very high	98.5	Very high	78 Å²	78	39.1 Å²	39.1	47%	0.473	21%	0.208	S	C	.	.	H	α-helix	trans	-62.9	-41.1	177.9	175.8	0	0	0	0	111.8	V108 S301 T302 S307 A308 L309	V108-V305 HydrophobicContact CB-CG1 3.72Å; V108-V305 HydrophobicContact CG1-CG1 3.65Å; V108-V305 HydrophobicContact CG2-CG1 4.44Å; S301-V305 WeakPolarHBondContact O-CG2 3.25Å; S301-V305 PolarHBondContact O-N 2.96Å; T302-V305 PolarHBondContact O-N 2.92Å; V305-S307 VanDerWaalsContact C-N 3.34Å; V305-S307 PolarHBondContact O-N 2.89Å; V305-A308 PolarHBondContact O-N 2.89Å; V305-L309 WeakPolarHBondContact O-CB 3.25Å; V305-L309 PolarHBondContact O-N 3.08Å
306	M	98.8	Very high	98.4	Very high	5 Å²	5	36.5 Å²	36.5	3%	0.025	20%	0.196	C	C	.	.	H	α-helix	trans	-60.4	-43.9	174.4	-73.9	173.2	65.5	0	0	111.6	M83 T105 V108 L109 T302 R303 G304 L309 T310	M83-M306 HydrophobicContact CE-CB 3.64Å; M83-M306 HydrophobicContact CE-CE 4.5Å; M83-M306 HydrophobicContact CG-CB 4Å; M83-M306 HydrophobicContact CG-CE 4.14Å; M83-M306 WeakPolarHBondContact O-CE 3.18Å; T105-M306 HydrophobicContact CG2-CB 4.29Å; T105-M306 HydrophobicContact CG2-CG 4.5Å; V108-M306 HydrophobicContact CG2-CG 3.73Å; L109-M306 HydrophobicContact CB-CG 4.42Å; L109-M306 HydrophobicContact CB-SD 3.84Å; L109-M306 HydrophobicContact CD2-CE 3.62Å; L109-M306 HydrophobicContact CD2-CG 4.38Å; L109-M306 HydrophobicContact CD2-SD 3.69Å; L109-M306 HydrophobicContact CG-SD 4.42Å; T302-M306 HydrophobicContact CG2-CG 4.32Å; T302-M306 HydrophobicContact CG2-SD 3.86Å; T302-M306 WeakPolarHBondContact O-CB 3.22Å; T302-M306 VanDerWaalsContact O-CG 3.22Å; T302-M306 WeakPolarHBondContact O-CG 3.41Å; T302-M306 PolarHBondContact O-N 2.91Å; R303-M306 PolarHBondContact O-N 3.39Å; G304-M306 PolarHBondContact O-N 2.85Å; M306-L309 PolarHBondContact O-N 3.35Å; M306-T310 WeakPolarHBondContact O-CB 3.41Å; M306-T310 PolarHBondContact O-N 2.89Å; M306-T310 PolarHBondContact O-OG1 2.96Å
307	S	98.8	Very high	98.4	Very high	1 Å²	1	36.4 Å²	36.4	1%	0.007	20%	0.195	C	C	.	.	H	α-helix	trans	-59.9	-50	178.2	-170.4	0	0	0	0	110.6	P17 G20 R303 G304 V305 L309 T310 V311	P17-S307 PolarHBondContact O-OG 2.63Å; G20-S307 WeakPolarHBondContact CA-OG 3.27Å; G20-S307 PolarHBondContact N-OG 2.81Å; R303-S307 WeakPolarHBondContact O-CB 3.49Å; R303-S307 PolarHBondContact O-N 3.38Å; G304-S307 WeakPolarHBondContact O-CB 3.47Å; G304-S307 PolarHBondContact O-N 2.83Å; V305-S307 VanDerWaalsContact C-N 3.34Å; V305-S307 PolarHBondContact O-N 2.89Å; S307-L309 PolarHBondContact O-N 3.31Å; S307-T310 PolarHBondContact O-N 3.05Å; S307-V311 PolarHBondContact O-N 3.36Å
308	A	98.7	Very high	98.4	Very high	17 Å²	17	35.7 Å²	35.7	14%	0.14	19%	0.19	C	C	.	.	H	α-helix	trans	-59	-49.2	178.3	0	0	0	0	0	112.4	E19 I23 G304 V305 T310 V311 Q312	E19-A308 HydrophobicContact CB-CB 4.25Å; I23-A308 HydrophobicContact CD1-CB 3.65Å; G304-A308 PolarHBondContact O-N 3.3Å; V305-A308 PolarHBondContact O-N 2.89Å; A308-T310 VanDerWaalsContact C-N 3.33Å; A308-T310 PolarHBondContact O-N 3.3Å; A308-V311 PolarHBondContact O-N 3.33Å; A308-Q312 VanDerWaalsContact O-CG 3.26Å; A308-Q312 WeakPolarHBondContact O-CG 3.43Å; A308-Q312 PolarHBondContact O-N 3.07Å
309	L	98.8	Very high	98.3	Very high	14 Å²	14	37.8 Å²	37.8	7%	0.073	19%	0.191	C	C	.	.	H	α-helix	trans	-60.6	-42	178.5	177.4	57.5	0	0	0	111.9	T105 V108 V305 M306 S307 V311 Q312 N313 P324	T105-L309 HydrophobicContact CG2-CB 4.48Å; T105-L309 HydrophobicContact CG2-CD2 4.16Å; T105-L309 HydrophobicContact CG2-CG 4.33Å; V108-L309 HydrophobicContact CG1-CD2 3.93Å; V108-L309 HydrophobicContact CG2-CD2 4.08Å; V305-L309 WeakPolarHBondContact O-CB 3.25Å; V305-L309 PolarHBondContact O-N 3.08Å; M306-L309 PolarHBondContact O-N 3.35Å; S307-L309 PolarHBondContact O-N 3.31Å; L309-V311 VanDerWaalsContact C-N 3.35Å; L309-V311 PolarHBondContact O-N 2.99Å; L309-Q312 PolarHBondContact O-N 3.21Å; L309-N313 WeakPolarHBondContact O-CB 3.46Å; L309-N313 VanDerWaalsContact O-CG 3.31Å; L309-N313 PolarHBondContact O-N 3.33Å; L309-N313 PolarHBondContact O-ND2 3.04Å; L309-P324 HydrophobicContact CD1-CB 3.66Å; L309-P324 HydrophobicContact CD1-CG 4.36Å
310	T	98.8	Very high	98.1	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-62.1	-43.7	179.2	-54.1	0	0	0	0	111	L58 S81 M83 T105 M306 S307 A308 L314	L58-T310 HydrophobicContact CD1-CG2 3.75Å; L58-T310 HydrophobicContact CD2-CG2 4Å; L58-T310 HydrophobicContact CG-CG2 3.59Å; S81-T310 WeakPolarHBondContact CB-O 3.46Å; S81-T310 VanDerWaalsContact OG-CG2 3.26Å; S81-T310 WeakPolarHBondContact OG-CG2 3.21Å; S81-T310 PolarHBondContact OG-O 3.3Å; M83-T310 WeakPolarHBondContact CA-OG1 3.38Å; M83-T310 HydrophobicContact CB-CG2 4.05Å; M83-T310 WeakPolarHBondContact CB-OG1 3.5Å; M83-T310 WeakPolarHBondContact CG-OG1 3.23Å; T105-T310 VanDerWaalsContact CG2-OG1 3.26Å; T105-T310 WeakPolarHBondContact CG2-OG1 3.4Å; M306-T310 WeakPolarHBondContact O-CB 3.41Å; M306-T310 PolarHBondContact O-N 2.89Å; M306-T310 PolarHBondContact O-OG1 2.96Å; S307-T310 PolarHBondContact O-N 3.05Å; A308-T310 VanDerWaalsContact C-N 3.33Å; A308-T310 PolarHBondContact O-N 3.3Å; T310-L314 WeakPolarHBondContact O-CB 3.36Å; T310-L314 PolarHBondContact O-N 3.34Å
311	V	98.6	Very high	98.1	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-67.1	-41.7	176.1	169.7	0	0	0	0	111.6	I16 I23 L24 L58 S307 A308 L309 N313 L314 L315	I16-V311 HydrophobicContact CD1-CG2 3.92Å; I23-V311 HydrophobicContact CB-CG1 3.88Å; I23-V311 HydrophobicContact CG2-CB 4.49Å; I23-V311 HydrophobicContact CG2-CG1 3.52Å; L24-V311 HydrophobicContact CD1-CG2 4.03Å; L24-V311 HydrophobicContact CD2-CG1 3.71Å; L24-V311 HydrophobicContact CD2-CG2 4.46Å; L24-V311 HydrophobicContact CG-CB 4.46Å; L24-V311 HydrophobicContact CG-CG1 3.62Å; L24-V311 HydrophobicContact CG-CG2 3.95Å; L58-V311 HydrophobicContact CD1-CG2 3.86Å; S307-V311 PolarHBondContact O-N 3.36Å; A308-V311 PolarHBondContact O-N 3.33Å; L309-V311 VanDerWaalsContact C-N 3.35Å; L309-V311 PolarHBondContact O-N 2.99Å; V311-N313 PolarHBondContact O-N 3.24Å; V311-L314 WeakPolarHBondContact O-CB 3.29Å; V311-L314 PolarHBondContact O-N 3.36Å; V311-L315 HydrophobicContact CG1-CD1 3.91Å; V311-L315 HydrophobicContact CG1-CG 4.23Å; V311-L315 WeakPolarHBondContact O-CG 3.37Å; V311-L315 PolarHBondContact O-N 3.15Å
312	Q	98.5	Very high	98	Very high	88 Å²	88	35.1 Å²	35.1	41%	0.411	20%	0.197	S	C	.	.	H	α-helix	trans	-62.7	-42.8	177.5	-70.8	169.7	-3.6	0	0	112	I23 A308 L309 L315 G316 P324	I23-Q312 HydrophobicContact CD1-CG 4.24Å; A308-Q312 VanDerWaalsContact O-CG 3.26Å; A308-Q312 WeakPolarHBondContact O-CG 3.43Å; A308-Q312 PolarHBondContact O-N 3.07Å; L309-Q312 PolarHBondContact O-N 3.21Å; Q312-L315 PolarHBondContact O-N 3Å; Q312-G316 PolarHBondContact O-N 3.03Å; Q312-P324 HydrophobicContact CB-CG 3.94Å
313	N	98.7	Very high	98	Very high	0 Å²	0	35 Å²	35	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-58.1	-48.6	172	-75.5	-24.8	0	0	0	111.1	S81 Y104 L309 V311 L315 G316 G317 M323 P324 S325	S81-N313 WeakPolarHBondContact OG-CB 3.47Å; Y104-N313 PolarHBondContact N-ND2 3.07Å; Y104-N313 PolarHBondContact O-ND2 3.13Å; Y104-N313 VanDerWaalsContact O-ND2 3.07Å; L309-N313 WeakPolarHBondContact O-CB 3.46Å; L309-N313 VanDerWaalsContact O-CG 3.31Å; L309-N313 PolarHBondContact O-N 3.33Å; L309-N313 PolarHBondContact O-ND2 3.04Å; V311-N313 PolarHBondContact O-N 3.24Å; N313-L315 PolarHBondContact O-N 3.11Å; N313-G316 PolarHBondContact O-N 3.45Å; N313-G317 PolarHBondContact O-N 2.8Å; N313-M323 HydrophobicContact CB-CB 4.39Å; N313-M323 HydrophobicContact CB-SD 4.27Å; N313-M323 VanDerWaalsContact O-CG 3.27Å; N313-M323 WeakPolarHBondContact O-CG 3.35Å; N313-P324 VanDerWaalsContact OD1-CD 3.28Å; N313-P324 WeakPolarHBondContact OD1-CD 3.31Å; N313-S325 PolarHBondContact ND2-O 3.31Å; N313-S325 PolarHBondContact OD1-N 2.98Å; N313-S325 PolarHBondContact OD1-O 3.44Å
314	L	98.6	Very high	98	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-56.5	-51.5	178.3	-179.3	75.2	0	0	0	111.4	V10 L58 V79 T310 V311 G316 G317 L318	V10-L314 HydrophobicContact CG1-CD2 3.7Å; V10-L314 HydrophobicContact CG2-CD2 4.21Å; L58-L314 HydrophobicContact CB-CD2 4.4Å; V79-L314 HydrophobicContact CG1-CD1 3.89Å; T310-L314 WeakPolarHBondContact O-CB 3.36Å; T310-L314 PolarHBondContact O-N 3.34Å; V311-L314 WeakPolarHBondContact O-CB 3.29Å; V311-L314 PolarHBondContact O-N 3.36Å; L314-G316 PolarHBondContact O-N 3.39Å; L314-G317 PolarHBondContact O-N 2.84Å; L314-L318 HydrophobicContact CG-CD1 4.19Å; L314-L318 WeakPolarHBondContact O-CB 3.45Å; L314-L318 VanDerWaalsContact O-CG 3.29Å; L314-L318 WeakPolarHBondContact O-CG 3.43Å; L314-L318 PolarHBondContact O-N 3.33Å
315	L	98.1	Very high	98	Very high	17 Å²	17	35.6 Å²	35.6	9%	0.089	21%	0.211	C	C	.	.	H	α-helix	trans	-65.3	-38.3	-178.7	-68.3	176.9	0	0	0	112.5	I23 L24 A27 V30 V311 Q312 N313 L318 Q319	I23-L315 HydrophobicContact CG2-CD1 3.89Å; L24-L315 HydrophobicContact CD2-CD2 4.46Å; A27-L315 HydrophobicContact CB-CD1 3.83Å; A27-L315 HydrophobicContact CB-CD2 4.05Å; V30-L315 HydrophobicContact CG1-CD2 4.24Å; V311-L315 HydrophobicContact CG1-CD1 3.91Å; V311-L315 HydrophobicContact CG1-CG 4.23Å; V311-L315 WeakPolarHBondContact O-CG 3.37Å; V311-L315 PolarHBondContact O-N 3.15Å; Q312-L315 PolarHBondContact O-N 3Å; N313-L315 PolarHBondContact O-N 3.11Å; L315-L318 HydrophobicContact CD2-CD1 4.39Å; L315-Q319 WeakPolarHBondContact O-CB 3.25Å; L315-Q319 WeakPolarHBondContact O-CG 3.47Å; L315-Q319 PolarHBondContact O-N 2.83Å; L315-Q319 PolarHBondContact O-NE2 3.46Å
316	G	97.7	Very high	98	Very high	6 Å²	6	33.7 Å²	33.7	6%	0.062	20%	0.197	C	C	.	.	H	α-helix	trans	-62	-48.9	173.7	0	0	0	0	0	111.5	Q312 N313 L314 L318 Q319 G320 L321	Q312-G316 PolarHBondContact O-N 3.03Å; N313-G316 PolarHBondContact O-N 3.45Å; L314-G316 PolarHBondContact O-N 3.39Å; G316-L318 PolarHBondContact O-N 3.04Å; G316-Q319 PolarHBondContact O-N 2.94Å; G316-G320 PolarHBondContact O-N 3.49Å; G316-L321 PolarHBondContact O-N 3.27Å
317	G	97.8	Very high	97.9	Very high	4 Å²	4	34.5 Å²	34.5	4%	0.041	20%	0.202	C	C	.	.	H	α-helix	trans	-61.9	-41.8	177.3	0	0	0	0	0	113.4	N313 L314 Q319 G320	N313-G317 PolarHBondContact O-N 2.8Å; L314-G317 PolarHBondContact O-N 2.84Å; G317-Q319 VanDerWaalsContact C-N 3.3Å; G317-Q319 PolarHBondContact O-N 3.43Å; G317-G320 PolarHBondContact O-N 3.14Å
318	L	97.3	Very high	97.6	Very high	4 Å²	4	43.7 Å²	43.7	2%	0.021	24%	0.236	C	C	.	.	H	α-helix	trans	-59.7	-40.2	176.4	-77.6	174.2	0	0	0	112.5	M8 V10 C31 H55 K78 V79 L314 L315 G316	M8-L318 HydrophobicContact CB-CD2 4.18Å; M8-L318 HydrophobicContact CE-CB 3.82Å; M8-L318 HydrophobicContact SD-CB 4Å; M8-L318 HydrophobicContact SD-CD2 4.13Å; M8-L318 VanDerWaalsContact SD-O 3.35Å; V10-L318 HydrophobicContact CG2-CD1 3.55Å; V10-L318 HydrophobicContact CG2-CD2 4.48Å; C31-L318 HydrophobicContact CB-CD1 4.22Å; H55-L318 HydrophobicContact CB-CD2 3.7Å; K78-L318 WeakPolarHBondContact CE-O 3.36Å; K78-L318 HydrophobicContact CG-CD2 4.48Å; K78-L318 PolarHBondContact NZ-O 3.08Å; V79-L318 HydrophobicContact CG1-CD2 3.88Å; V79-L318 HydrophobicContact CG1-CG 3.8Å; L314-L318 HydrophobicContact CG-CD1 4.19Å; L314-L318 WeakPolarHBondContact O-CB 3.45Å; L314-L318 VanDerWaalsContact O-CG 3.29Å; L314-L318 WeakPolarHBondContact O-CG 3.43Å; L314-L318 PolarHBondContact O-N 3.33Å; L315-L318 HydrophobicContact CD2-CD1 4.39Å; G316-L318 PolarHBondContact O-N 3.04Å
319	Q	96.1	Very high	97.2	Very high	96 Å²	96	46.9 Å²	46.9	45%	0.449	25%	0.25	S	S	.	.	H	α-helix	trans	-87.3	-6.7	-176.7	-67.7	174.1	86.8	0	0	113.5	M8 V30 L315 G316 G317 L321	M8-Q319 HydrophobicContact CE-CG 4.43Å; V30-Q319 HydrophobicContact CG1-CG 4.05Å; L315-Q319 WeakPolarHBondContact O-CB 3.25Å; L315-Q319 WeakPolarHBondContact O-CG 3.47Å; L315-Q319 PolarHBondContact O-N 2.83Å; L315-Q319 PolarHBondContact O-NE2 3.46Å; G316-Q319 PolarHBondContact O-N 2.94Å; G317-Q319 VanDerWaalsContact C-N 3.3Å; G317-Q319 PolarHBondContact O-N 3.43Å; Q319-L321 VanDerWaalsContact C-N 3.29Å; Q319-L321 HydrophobicContact CB-CD1 3.95Å; Q319-L321 HydrophobicContact CB-CG 3.87Å
320	G	95.9	Very high	97.1	Very high	60 Å²	60	48.5 Å²	48.5	62%	0.619	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	72.6	23.2	-174	0	0	0	0	0	113.3	G316 G317	G316-G320 PolarHBondContact O-N 3.49Å; G317-G320 PolarHBondContact O-N 3.14Å
321	L	96.7	Very high	97	Very high	97 Å²	97	51.1 Å²	51.1	51%	0.508	27%	0.273	S	S	.	.	P	Polyproline II helix	trans	-94.4	172.4	176.6	-58.9	176.6	0	0	0	110.7	R101 G316 Q319 M323	R101-L321 PolarHBondContact NH1-O 2.81Å; R101-L321 PolarHBondContact NH2-O 3.33Å; G316-L321 PolarHBondContact O-N 3.27Å; Q319-L321 VanDerWaalsContact C-N 3.29Å; Q319-L321 HydrophobicContact CB-CD1 3.95Å; Q319-L321 HydrophobicContact CB-CG 3.87Å; L321-M323 PolarHBondContact O-N 2.86Å
322	D	96.8	Very high	96.9	Very high	145 Å²	145	53.9 Å²	53.9	78%	0.775	29%	0.288	S	S	*	.	P	Polyproline II helix	trans	-62.1	136.5	172.2	-69.3	-28.4	0	0	0	110.9
323	M	98.4	Very high	96.8	Very high	14 Å²	14	51.9 Å²	51.9	7%	0.069	28%	0.28	C	S	.	.	P	Polyproline II helix	trans	-93.8	134.2	172.1	-65	-171.1	-65	0	0	108.2	V79 R101 V102 N313 L321 S325 E326	V79-M323 HydrophobicContact CG2-SD 3.97Å; R101-M323 HydrophobicContact CB-CE 3.76Å; V102-M323 WeakPolarHBondContact O-CE 3.44Å; N313-M323 HydrophobicContact CB-CB 4.39Å; N313-M323 HydrophobicContact CB-SD 4.27Å; N313-M323 VanDerWaalsContact O-CG 3.27Å; N313-M323 WeakPolarHBondContact O-CG 3.35Å; L321-M323 PolarHBondContact O-N 2.86Å; M323-S325 PolarHBondContact O-N 3.09Å; M323-S325 VanDerWaalsContact O-N 3.1Å; M323-E326 HydrophobicContact CB-CB 4.17Å; M323-E326 HydrophobicContact CE-CB 3.62Å; M323-E326 HydrophobicContact CE-CG 3.33Å; M323-E326 VanDerWaalsContact CE-OE1 3.28Å; M323-E326 WeakPolarHBondContact CE-OE1 3.35Å
324	P	97.9	Very high	96.7	Very high	78 Å²	78	55.1 Å²	55.1	51%	0.506	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.2	-30.4	178.8	-26.6	33.1	0	0	0	113.8	L309 Q312 N313	L309-P324 HydrophobicContact CD1-CB 3.66Å; L309-P324 HydrophobicContact CD1-CG 4.36Å; Q312-P324 HydrophobicContact CB-CG 3.94Å; N313-P324 VanDerWaalsContact OD1-CD 3.28Å; N313-P324 WeakPolarHBondContact OD1-CD 3.31Å
325	S	98	Very high	96.6	Very high	24 Å²	24	58.8 Å²	58.8	17%	0.168	32%	0.318	C	S	.	.	T	Hydrogen-bonded Turn	trans	-143.2	84.5	175.8	-68.6	0	0	0	0	111.3	G103 Y104 N313 M323	G103-S325 WeakPolarHBondContact CA-O 3.31Å; Y104-S325 PolarHBondContact N-O 2.88Å; Y104-S325 VanDerWaalsContact O-CB 3.28Å; Y104-S325 WeakPolarHBondContact O-CB 3.45Å; N313-S325 PolarHBondContact ND2-O 3.31Å; N313-S325 PolarHBondContact OD1-N 2.98Å; N313-S325 PolarHBondContact OD1-O 3.44Å; M323-S325 PolarHBondContact O-N 3.09Å; M323-S325 VanDerWaalsContact O-N 3.1Å
326	E	98.3	Very high	96.5	Very high	37 Å²	37	61.8 Å²	61.8	17%	0.173	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	131.5	173.4	-176.1	156.2	-149.3	0	0	111.9	R101 V102 M323 R328	R101-E326 IonicContact CZ-OE1 2.91Å; R101-E326 IonicContact CZ-OE2 3.29Å; R101-E326 IonicContact NE-OE1 3.64Å; R101-E326 PolarHBondContact NE-OE1 3.33Å; R101-E326 IonicContact NE-OE2 3.94Å; R101-E326 VanDerWaalsContact NH2-CD 3.31Å; R101-E326 IonicContact NH2-OE1 3.69Å; R101-E326 PolarHBondContact NH2-OE1 3.18Å; R101-E326 IonicContact NH2-OE2 3.88Å; R101-E326 PolarHBondContact NH2-OE2 3.39Å; V102-E326 WeakPolarHBondContact O-CA 3.43Å; M323-E326 HydrophobicContact CB-CB 4.17Å; M323-E326 HydrophobicContact CE-CB 3.62Å; M323-E326 HydrophobicContact CE-CG 3.33Å; M323-E326 VanDerWaalsContact CE-OE1 3.28Å; M323-E326 WeakPolarHBondContact CE-OE1 3.35Å; E326-R328 IonicContact OE1-NH1 3.28Å; E326-R328 IonicContact OE2-CZ 3.36Å; E326-R328 IonicContact OE2-NH1 3.14Å; E326-R328 PolarHBondContact OE2-NH1 3.15Å; E326-R328 IonicContact OE2-NH2 2.68Å
327	L	97.2	Very high	96.4	Very high	23 Å²	23	66.1 Å²	66.1	12%	0.12	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	121.6	164.1	-178.7	65.6	0	0	0	108.8	F87 L92 V102 Y104 L329	F87-L327 HydrophobicContact CB-CD2 4.43Å; F87-L327 HydrophobicContact CD1-CD1 4.32Å; F87-L327 HydrophobicContact CD1-CD2 4Å; F87-L327 HydrophobicContact CD2-CD2 4.26Å; F87-L327 HydrophobicContact CE1-CD1 3.94Å; F87-L327 HydrophobicContact CE1-CD2 4.31Å; F87-L327 HydrophobicContact CG-CD2 3.97Å; F87-L327 HydrophobicContact CZ-CD1 4.28Å; L92-L327 HydrophobicContact CD1-CD2 4.31Å; L92-L327 HydrophobicContact CD2-CD2 4.11Å; V102-L327 HydrophobicContact CB-CB 4.1Å; V102-L327 HydrophobicContact CB-CD2 4.47Å; V102-L327 HydrophobicContact CG1-CB 4Å; V102-L327 HydrophobicContact CG1-CD2 4.02Å; V102-L327 PolarHBondContact O-N 3.02Å; Y104-L327 HydrophobicContact CD1-CB 3.96Å; Y104-L327 HydrophobicContact CE1-CB 4.2Å; L327-L329 HydrophobicContact CD2-CD2 3.82Å; L327-L329 HydrophobicContact CG-CD2 4.04Å
328	R	93.9	Very high	96.3	Very high	193 Å²	193	71.3 Å²	71.3	73%	0.728	38%	0.381	S	S	*	.	P	Polyproline II helix	trans	-82.5	116.1	175.1	-61.3	-64	-173.1	-161.6	-4.2	109.2	E326	E326-R328 IonicContact OE1-NH1 3.28Å; E326-R328 IonicContact OE2-CZ 3.36Å; E326-R328 IonicContact OE2-NH1 3.14Å; E326-R328 PolarHBondContact OE2-NH1 3.15Å; E326-R328 IonicContact OE2-NH2 2.68Å
329	L	88.6	Confident	96.2	Very high	84 Å²	84	77.4 Å²	77.4	44%	0.44	41%	0.414	S	S	.	.			trans	-92.3	0	-178.1	-58.9	178.8	0	0	0	113.3	L92 I95 K96 V102 L327	L92-L329 HydrophobicContact CB-CD2 4.31Å; L92-L329 HydrophobicContact CD1-CD2 4.25Å; L92-L329 HydrophobicContact CD2-CD2 3.86Å; L92-L329 HydrophobicContact CG-CD2 4.37Å; I95-L329 HydrophobicContact CB-CD1 4.4Å; I95-L329 HydrophobicContact CG2-CD1 3.6Å; K96-L329 HydrophobicContact CB-CB 4.11Å; K96-L329 HydrophobicContact CB-CD1 4.19Å; K96-L329 HydrophobicContact CD-CB 4.15Å; K96-L329 WeakPolarHBondContact CD-OXT 3.31Å; K96-L329 WeakPolarHBondContact CE-O 3.48Å; K96-L329 WeakPolarHBondContact CE-OXT 3.41Å; K96-L329 HydrophobicContact CG-CB 4.09Å; K96-L329 VanDerWaalsContact NZ-C 3.34Å; K96-L329 PolarHBondContact NZ-O 2.91Å; K96-L329 PolarHBondContact NZ-OXT 3.28Å; V102-L329 HydrophobicContact CG2-CD1 3.97Å; L327-L329 HydrophobicContact CD2-CD2 3.82Å; L327-L329 HydrophobicContact CG-CD2 4.04Å

Retrieved 329 of 329 residues in 164.6 ms (Link to these results)

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