G4V9E4_SCHMA Loading...

Glutamine synthetase

AlphaFold DB , UniProt , Accession G4V9E4, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 364 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	36.1	Very low	53.5	Low	231 Å²	231	120.5 Å²	120.5	100%	1.138	63%	0.627	S	S	*	*				0	127.8	0	-70.3	178.8	-169.8	0	0	107.4	L3	M1-L3 PolarHBondContact O-N 3.38Å
2	P	36.8	Very low	55.7	Low	105 Å²	105	116.3 Å²	116.3	68%	0.682	60%	0.6	S	S	*	*			trans	-62.6	125.4	168.5	-4.6	20.1	0	0	0	107.2	T4	P2-T4 HydrophobicContact CB-CG2 3.76Å; P2-T4 PolarHBondContact O-N 3.39Å
3	L	46.5	Very low	57.8	Low	184 Å²	184	113.8 Å²	113.8	96%	0.963	59%	0.593	S	S	*	*			trans	-69.6	73.1	163.8	-80.9	156.7	0	0	0	107.3	M1	M1-L3 PolarHBondContact O-N 3.38Å
4	T	42	Very low	59.9	Low	92 Å²	92	112.9 Å²	112.9	56%	0.564	59%	0.589	S	S	*	*			trans	-115.4	64.5	175.2	57.1	0	0	0	0	108.6	P2 R6	P2-T4 HydrophobicContact CB-CG2 3.76Å; P2-T4 PolarHBondContact O-N 3.39Å; T4-R6 VanDerWaalsContact C-N 3.28Å; T4-R6 PolarHBondContact O-N 3.44Å; T4-R6 VanDerWaalsContact O-N 3.11Å
5	S	43.3	Very low	61.9	Low	58 Å²	58	109.7 Å²	109.7	41%	0.406	57%	0.572	S	S	.	*			trans	-69.2	97.5	151.1	59.4	0	0	0	0	106.1	S7	S5-S7 PolarHBondContact O-N 3.06Å
6	R	55.4	Low	63.6	Low	236 Å²	236	105.4 Å²	105.4	89%	0.891	56%	0.558	S	S	*	*			trans	-69.6	-9.7	-178.4	-73.1	-175.4	178.8	-177.1	-0.8	113	T4	T4-R6 VanDerWaalsContact C-N 3.28Å; T4-R6 PolarHBondContact O-N 3.44Å; T4-R6 VanDerWaalsContact O-N 3.11Å
7	S	61.9	Low	65.3	Low	50 Å²	50	105.6 Å²	105.6	35%	0.35	55%	0.553	S	S	.	*	S	Bend	trans	-108.1	131	176.8	-175.8	0	0	0	0	110.5	S5 Y9 D10	S5-S7 PolarHBondContact O-N 3.06Å; S7-Y9 PolarHBondContact O-N 3.12Å; S7-Y9 VanDerWaalsContact O-N 3.16Å; S7-Y9 VanDerWaalsContact OG-CB 3.27Å; S7-Y9 WeakPolarHBondContact OG-CB 3.33Å; S7-Y9 PolarHBondContact OG-N 2.74Å; S7-D10 PolarHBondContact O-N 3.01Å
8	P	64.4	Low	66.9	Low	64 Å²	64	107.6 Å²	107.6	42%	0.416	55%	0.553	S	S	.	*	H	α-helix	trans	-48.4	-36.3	165.3	-27.4	34.9	0	0	0	112.1	D10 S11 K12	P8-D10 PolarHBondContact O-N 3.31Å; P8-S11 WeakPolarHBondContact O-CB 3.31Å; P8-S11 PolarHBondContact O-N 3.42Å; P8-K12 WeakPolarHBondContact O-CG 3.28Å; P8-K12 PolarHBondContact O-N 2.83Å
9	Y	66.5	Low	68.2	Low	167 Å²	167	108.1 Å²	108.1	66%	0.655	55%	0.548	S	S	*	.	H	α-helix	trans	-53.8	-50.7	-178.5	-171.6	-93.6	0	0	0	113.3	S7 S11 K12 T13	S7-Y9 PolarHBondContact O-N 3.12Å; S7-Y9 VanDerWaalsContact O-N 3.16Å; S7-Y9 VanDerWaalsContact OG-CB 3.27Å; S7-Y9 WeakPolarHBondContact OG-CB 3.33Å; S7-Y9 PolarHBondContact OG-N 2.74Å; Y9-S11 VanDerWaalsContact C-N 3.29Å; Y9-S11 PolarHBondContact O-N 3.28Å; Y9-K12 PolarHBondContact O-N 3.21Å; Y9-K12 VanDerWaalsContact O-N 3.14Å; Y9-T13 PolarHBondContact O-N 2.98Å; Y9-T13 PolarHBondContact O-OG1 3.38Å
10	D	63.3	Low	69.3	Low	83 Å²	83	109.5 Å²	109.5	44%	0.444	56%	0.557	S	S	.	*	H	α-helix	trans	-63.3	-38.2	-177.4	-64	-24.1	0	0	0	111.5	S7 P8 L14	S7-D10 PolarHBondContact O-N 3.01Å; P8-D10 PolarHBondContact O-N 3.31Å; D10-L14 WeakPolarHBondContact O-CG 3.24Å; D10-L14 PolarHBondContact O-N 3.23Å
11	S	72.5	Confident	70.6	Confident	56 Å²	56	109.4 Å²	109.4	39%	0.392	56%	0.558	S	S	.	*	H	α-helix	trans	-65.9	-40.7	176.8	-176	0	0	0	0	111.4	P8 Y9 L14 L15	P8-S11 WeakPolarHBondContact O-CB 3.31Å; P8-S11 PolarHBondContact O-N 3.42Å; Y9-S11 VanDerWaalsContact C-N 3.29Å; Y9-S11 PolarHBondContact O-N 3.28Å; S11-L14 PolarHBondContact O-N 3.23Å; S11-L15 WeakPolarHBondContact O-CB 3.29Å; S11-L15 PolarHBondContact O-N 2.93Å
12	K	79.6	Confident	73.5	Confident	69 Å²	69	104.4 Å²	104.4	30%	0.3	54%	0.542	S	S	.	.	H	α-helix	trans	-68.4	-40.5	179.9	-61.9	-59	174.7	-178.1	0	112.4	P8 Y9 L14 L15 A16 D233	P8-K12 WeakPolarHBondContact O-CG 3.28Å; P8-K12 PolarHBondContact O-N 2.83Å; Y9-K12 PolarHBondContact O-N 3.21Å; Y9-K12 VanDerWaalsContact O-N 3.14Å; K12-L14 VanDerWaalsContact C-N 3.3Å; K12-L14 PolarHBondContact O-N 2.94Å; K12-L15 PolarHBondContact O-N 3.06Å; K12-A16 WeakPolarHBondContact O-CB 3.47Å; K12-A16 PolarHBondContact O-N 2.86Å; K12-D233 WeakPolarHBondContact CE-OD1 3.37Å; K12-D233 IonicContact NZ-OD1 2.74Å; K12-D233 PolarHBondContact NZ-OD1 3.28Å
13	T	83.3	Confident	76.3	Confident	84 Å²	84	102.9 Å²	102.9	52%	0.515	53%	0.526	S	S	.	.	H	α-helix	trans	-62.1	-39.3	174.6	-52	0	0	0	0	111.6	Y9	Y9-T13 PolarHBondContact O-N 2.98Å; Y9-T13 PolarHBondContact O-OG1 3.38Å
14	L	87.6	Confident	78.7	Confident	102 Å²	102	97.6 Å²	97.6	53%	0.534	50%	0.503	S	S	.	.	H	α-helix	trans	-70.6	-31.3	175.9	-70.8	173.9	0	0	0	113.3	D10 S11 K12 K17 Y18	D10-L14 WeakPolarHBondContact O-CG 3.24Å; D10-L14 PolarHBondContact O-N 3.23Å; S11-L14 PolarHBondContact O-N 3.23Å; K12-L14 VanDerWaalsContact C-N 3.3Å; K12-L14 PolarHBondContact O-N 2.94Å; L14-K17 VanDerWaalsContact O-CE 3.28Å; L14-K17 WeakPolarHBondContact O-CE 3.47Å; L14-K17 VanDerWaalsContact O-CG 3.31Å; L14-K17 WeakPolarHBondContact O-CG 3.42Å; L14-Y18 VanDerWaalsContact O-CD2 3.24Å; L14-Y18 WeakPolarHBondContact O-CD2 3.32Å; L14-Y18 WeakPolarHBondContact O-CE2 3.48Å
15	L	89.1	Confident	81.2	Confident	64 Å²	64	99.1 Å²	99.1	34%	0.335	51%	0.507	S	S	.	.	H	α-helix	trans	-76.1	-36.9	177.9	-175.7	59.4	0	0	0	112.2	S11 K12 K17 Y18 Y19	S11-L15 WeakPolarHBondContact O-CB 3.29Å; S11-L15 PolarHBondContact O-N 2.93Å; K12-L15 PolarHBondContact O-N 3.06Å; L15-K17 VanDerWaalsContact C-N 3.29Å; L15-K17 PolarHBondContact O-N 2.99Å; L15-Y18 WeakPolarHBondContact O-CB 3.19Å; L15-Y18 PolarHBondContact O-N 3.3Å; L15-Y19 HydrophobicContact CD1-CD2 4.5Å; L15-Y19 HydrophobicContact CD1-CE2 4.17Å; L15-Y19 HydrophobicContact CD2-CD2 4.32Å; L15-Y19 HydrophobicContact CD2-CE2 3.52Å; L15-Y19 HydrophobicContact CG-CD2 3.84Å; L15-Y19 HydrophobicContact CG-CE2 3.51Å; L15-Y19 PolarHBondContact O-N 2.68Å
16	A	89.9	Confident	83.7	Confident	42 Å²	42	100 Å²	100	35%	0.347	51%	0.507	S	S	.	.	H	α-helix	trans	-52.4	-44.2	-177.6	0	0	0	0	0	112.9	K12 Y18 Y19 D20	K12-A16 WeakPolarHBondContact O-CB 3.47Å; K12-A16 PolarHBondContact O-N 2.86Å; A16-Y18 PolarHBondContact O-N 2.82Å; A16-Y19 PolarHBondContact O-N 3.49Å; A16-D20 PolarHBondContact O-N 3.11Å
17	K	91.9	Very high	85.8	Confident	109 Å²	109	92.3 Å²	92.3	47%	0.474	48%	0.48	S	S	.	.	H	α-helix	trans	-58.4	-24.7	178	78.9	-168.9	179.8	171.3	0	114.3	L14 L15	L14-K17 VanDerWaalsContact O-CE 3.28Å; L14-K17 WeakPolarHBondContact O-CE 3.47Å; L14-K17 VanDerWaalsContact O-CG 3.31Å; L14-K17 WeakPolarHBondContact O-CG 3.42Å; L15-K17 VanDerWaalsContact C-N 3.29Å; L15-K17 PolarHBondContact O-N 2.99Å
18	Y	94.1	Very high	87.5	Confident	140 Å²	140	90 Å²	90	55%	0.549	46%	0.464	S	S	.	.	H	α-helix	trans	-87.7	-30.8	176.9	-61.6	-77.2	0	0	0	111.7	L14 L15 A16 D20 L21	L14-Y18 VanDerWaalsContact O-CD2 3.24Å; L14-Y18 WeakPolarHBondContact O-CD2 3.32Å; L14-Y18 WeakPolarHBondContact O-CE2 3.48Å; L15-Y18 WeakPolarHBondContact O-CB 3.19Å; L15-Y18 PolarHBondContact O-N 3.3Å; A16-Y18 PolarHBondContact O-N 2.82Å; Y18-D20 VanDerWaalsContact C-N 3.28Å; Y18-L21 HydrophobicContact CD1-CD1 4.28Å; Y18-L21 WeakPolarHBondContact O-CB 3.45Å; Y18-L21 PolarHBondContact O-N 2.8Å
19	Y	90.8	Very high	89.1	Confident	118 Å²	118	90 Å²	90	46%	0.463	46%	0.459	S	S	.	.	H	α-helix	trans	-69	-27.9	171	-79	-54.5	0	0	0	112.7	L15 A16 L21 R92	L15-Y19 HydrophobicContact CD1-CD2 4.5Å; L15-Y19 HydrophobicContact CD1-CE2 4.17Å; L15-Y19 HydrophobicContact CD2-CD2 4.32Å; L15-Y19 HydrophobicContact CD2-CE2 3.52Å; L15-Y19 HydrophobicContact CG-CD2 3.84Å; L15-Y19 HydrophobicContact CG-CE2 3.51Å; L15-Y19 PolarHBondContact O-N 2.68Å; A16-Y19 PolarHBondContact O-N 3.49Å; Y19-L21 PolarHBondContact O-N 3.23Å; Y19-R92 HydrophobicContact CE1-CG 4.35Å
20	D	91.9	Very high	90.7	Very high	135 Å²	135	82 Å²	82	72%	0.722	43%	0.427	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.9	-8.7	175.9	-67	-25	0	0	0	113.6	A16 Y18	A16-D20 PolarHBondContact O-N 3.11Å; Y18-D20 VanDerWaalsContact C-N 3.28Å
21	L	96.3	Very high	92.4	Very high	109 Å²	109	78.7 Å²	78.7	57%	0.571	41%	0.409	S	S	*	.	S	Bend	trans	-66.1	136.8	174.7	-67.3	174	0	0	0	110.1	Y18 Y19 Q23	Y18-L21 HydrophobicContact CD1-CD1 4.28Å; Y18-L21 WeakPolarHBondContact O-CB 3.45Å; Y18-L21 PolarHBondContact O-N 2.8Å; Y19-L21 PolarHBondContact O-N 3.23Å; L21-Q23 PolarHBondContact O-N 3.2Å
22	P	95.8	Very high	93.6	Very high	125 Å²	125	76 Å²	76	81%	0.812	39%	0.391	S	S	*	.	P	Polyproline II helix	trans	-58.8	116.3	172.7	-22.6	32.9	0	0	0	110.7
23	Q	96.5	Very high	94.5	Very high	73 Å²	73	72.8 Å²	72.8	34%	0.341	38%	0.376	S	S	.	.	P	Polyproline II helix	trans	-72	130.6	170.8	-177.1	177	-42.6	0	0	109.2	L21 D25 K27 N96	L21-Q23 PolarHBondContact O-N 3.2Å; Q23-D25 PolarHBondContact O-N 3.34Å; Q23-K27 WeakPolarHBondContact CG-O 3.32Å; Q23-K27 PolarHBondContact NE2-O 3.02Å; Q23-N96 PolarHBondContact NE2-OD1 3.38Å; Q23-N96 PolarHBondContact OE1-ND2 3.16Å; Q23-N96 PolarHBondContact OE1-OD1 3.33Å
24	P	96.8	Very high	95.3	Very high	73 Å²	73	69.4 Å²	69.4	47%	0.474	35%	0.354	S	S	.	.	P	Polyproline II helix	trans	-56.6	136.7	174.6	-24.9	34	0	0	0	111.7	D26 K27	P24-D26 VanDerWaalsContact CB-OD1 3.29Å; P24-D26 WeakPolarHBondContact CB-OD1 3.49Å; P24-D26 PolarHBondContact O-N 2.87Å; P24-D26 VanDerWaalsContact O-N 3.12Å; P24-K27 HydrophobicContact CB-CB 4.22Å; P24-K27 HydrophobicContact CB-CG 3.9Å; P24-K27 HydrophobicContact CG-CG 4.24Å; P24-K27 PolarHBondContact O-N 2.92Å
25	D	94.4	Very high	95.8	Very high	125 Å²	125	65.3 Å²	65.3	67%	0.668	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.3	-23.7	-175.4	-89	-43.5	0	0	0	114.2	Q23 K95	Q23-D25 PolarHBondContact O-N 3.34Å; D25-K95 PolarHBondContact O-NZ 3.34Å; D25-K95 IonicContact OD1-NZ 3.63Å; D25-K95 PolarHBondContact OD1-NZ 2.85Å
26	D	96.5	Very high	96.2	Very high	75 Å²	75	62.6 Å²	62.6	40%	0.401	32%	0.319	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.3	6	179.4	74.3	-43.3	0	0	0	113.1	P24 Q50	P24-D26 VanDerWaalsContact CB-OD1 3.29Å; P24-D26 WeakPolarHBondContact CB-OD1 3.49Å; P24-D26 PolarHBondContact O-N 2.87Å; P24-D26 VanDerWaalsContact O-N 3.12Å; D26-Q50 CarbonylContact C-O 3.59Å; D26-Q50 WeakPolarHBondContact CA-O 3.39Å; D26-Q50 CarbonylContact O-C 3.54Å; D26-Q50 WeakPolarHBondContact O-CA 3.42Å; D26-Q50 VanDerWaalsContact O-O 3.09Å; D26-Q50 PolarHBondContact O-OE1 2.79Å
27	K	98	Very high	96.5	Very high	75 Å²	75	62.2 Å²	62.2	33%	0.326	32%	0.319	S	S	.	.			trans	-122.8	103.1	176.3	-57.1	-61.1	171.5	-152	0	109.2	Q23 P24 T48	Q23-K27 WeakPolarHBondContact CG-O 3.32Å; Q23-K27 PolarHBondContact NE2-O 3.02Å; P24-K27 HydrophobicContact CB-CB 4.22Å; P24-K27 HydrophobicContact CB-CG 3.9Å; P24-K27 HydrophobicContact CG-CG 4.24Å; P24-K27 PolarHBondContact O-N 2.92Å; K27-T48 HydrophobicContact CB-CG2 3.94Å; K27-T48 HydrophobicContact CD-CG2 3.95Å; K27-T48 HydrophobicContact CG-CG2 4.45Å
28	I	98.4	Very high	96.8	Very high	2 Å²	2	59.4 Å²	59.4	1%	0.01	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	126.9	-178.6	-60.6	76.4	0	0	0	109	V30 T48 M49 E51 E52 K95	I28-V30 HydrophobicContact CG2-CG2 4.02Å; I28-T48 CarbonylContact O-C 3.54Å; I28-T48 WeakPolarHBondContact O-CA 3.36Å; I28-M49 PolarHBondContact N-O 2.91Å; I28-M49 PolarHBondContact O-N 2.86Å; I28-E51 VanDerWaalsContact CD1-C 3.47Å; I28-E52 HydrophobicContact CG1-CB 4.13Å; I28-K95 HydrophobicContact CG1-CB 4.09Å; I28-K95 HydrophobicContact CG2-CB 4.47Å; I28-K95 VanDerWaalsContact CG2-O 3.24Å; I28-K95 WeakPolarHBondContact CG2-O 3.33Å
29	Q	98.6	Very high	96.9	Very high	64 Å²	64	53 Å²	53	30%	0.299	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	120.8	172.8	-58.8	-173.7	-84.5	0	0	109.6	T46 N96 K97	Q29-T46 HydrophobicContact CB-CG2 3.83Å; Q29-T46 HydrophobicContact CG-CG2 4.42Å; Q29-N96 WeakPolarHBondContact CA-OD1 3.29Å; Q29-N96 HydrophobicContact CB-CB 4.46Å; Q29-N96 WeakPolarHBondContact CB-OD1 3.42Å; Q29-N96 PolarHBondContact N-OD1 3.06Å; Q29-N96 WeakPolarHBondContact O-CA 3.36Å; Q29-N96 WeakPolarHBondContact O-CB 3.33Å; Q29-K97 PolarHBondContact O-N 3.14Å
30	V	98.8	Very high	97.2	Very high	0 Å²	0	49.8 Å²	49.8	0%	0	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	109.9	179.2	-177	0	0	0	0	108.5	I28 Y32 T46 M47 M49 P53 K97 V99	I28-V30 HydrophobicContact CG2-CG2 4.02Å; V30-Y32 HydrophobicContact CB-CE2 4.38Å; V30-Y32 HydrophobicContact CG1-CD2 4Å; V30-Y32 HydrophobicContact CG1-CE2 3.65Å; V30-T46 WeakPolarHBondContact O-CA 3.37Å; V30-M47 PolarHBondContact N-O 2.6Å; V30-M47 PolarHBondContact O-N 2.62Å; V30-M49 HydrophobicContact CB-CG 4.47Å; V30-M49 HydrophobicContact CB-SD 4.22Å; V30-M49 HydrophobicContact CG1-SD 4.42Å; V30-M49 HydrophobicContact CG2-CB 4.26Å; V30-M49 HydrophobicContact CG2-CG 3.89Å; V30-M49 HydrophobicContact CG2-SD 3.62Å; V30-P53 HydrophobicContact CG2-CG 4.09Å; V30-K97 HydrophobicContact CG1-CB 4.34Å; V30-K97 HydrophobicContact CG2-CB 4.42Å; V30-V99 HydrophobicContact CG1-CB 4.28Å; V30-V99 HydrophobicContact CG1-CG2 3.41Å; V30-V99 VanDerWaalsContact CG1-CG2 3.41Å
31	M	98.9	Very high	97.4	Very high	13 Å²	13	47.4 Å²	47.4	6%	0.064	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	112.8	179.4	-173.4	178	-65.4	0	0	110.3	V33 C44 K45 K97 L98 V99 F225	M31-V33 HydrophobicContact CG-CG2 4.32Å; M31-C44 HydrophobicContact CG-CB 3.87Å; M31-C44 HydrophobicContact SD-CB 3.94Å; M31-K45 CarbonylContact C-O 3.41Å; M31-K45 WeakPolarHBondContact CA-O 3.4Å; M31-K97 PolarHBondContact N-O 3.23Å; M31-L98 HydrophobicContact CB-CD2 3.81Å; M31-L98 HydrophobicContact CG-CD2 4.3Å; M31-L98 CarbonylContact O-C 3.51Å; M31-L98 WeakPolarHBondContact O-CA 3.49Å; M31-L98 HydrophobicContact SD-CD2 3.94Å; M31-V99 PolarHBondContact O-N 3.05Å; M31-F225 HydrophobicContact SD-CE1 3.78Å; M31-F225 HydrophobicContact SD-CZ 3.39Å; M31-F225 WeakPolarHBondContact SD-CZ 3.42Å
32	Y	98.9	Very high	97.5	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	130.2	173.7	-77.1	-128.8	0	0	0	108.2	V30 C44 K45 C59 P60 W62 L81 P83 V99 C101	V30-Y32 HydrophobicContact CB-CE2 4.38Å; V30-Y32 HydrophobicContact CG1-CD2 4Å; V30-Y32 HydrophobicContact CG1-CE2 3.65Å; Y32-C44 CarbonylContact O-C 3.56Å; Y32-C44 WeakPolarHBondContact O-CA 3.35Å; Y32-C44 WeakPolarHBondContact O-CB 3.39Å; Y32-K45 PolarHBondContact N-O 3.08Å; Y32-K45 PolarHBondContact O-N 2.82Å; Y32-C59 WeakPolarHBondContact OH-CB 3.35Å; Y32-P60 WeakPolarHBondContact CE1-O 3.35Å; Y32-P60 VanDerWaalsContact OH-CD 3.3Å; Y32-P60 WeakPolarHBondContact OH-CD 3.24Å; Y32-P60 PolarHBondContact OH-O 2.99Å; Y32-W62 HydrophobicContact CD1-CB 4.26Å; Y32-W62 HydrophobicContact CD1-CE3 4.16Å; Y32-W62 AromaticContact CD2-CE3 3.97Å; Y32-W62 HydrophobicContact CD2-CE3 3.97Å; Y32-W62 HydrophobicContact CD2-CZ3 4.23Å; Y32-W62 HydrophobicContact CE1-CB 4.02Å; Y32-W62 HydrophobicContact CE1-CE3 4.42Å; Y32-W62 HydrophobicContact CE2-CE3 4.25Å; Y32-W62 AromaticContact CG-CE3 3.94Å; Y32-W62 HydrophobicContact CG-CE3 3.94Å; Y32-W62 HydrophobicContact CG-CZ3 4.46Å; Y32-L81 HydrophobicContact CD1-CB 4.13Å; Y32-L81 HydrophobicContact CD1-CD1 4.19Å; Y32-P83 HydrophobicContact CE1-CG 3.8Å; Y32-V99 CarbonylContact C-O 3.53Å; Y32-V99 WeakPolarHBondContact CA-O 3.49Å; Y32-C101 WeakPolarHBondContact CD1-SG 3.4Å
33	V	98.9	Very high	97.7	Very high	0 Å²	0	42 Å²	42	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	134.4	-178.8	-178	0	0	0	0	108.6	M31 L42 R43 C44 V99 L100 C101 M222 F225	M31-V33 HydrophobicContact CG-CG2 4.32Å; V33-L42 HydrophobicContact CG1-CD2 3.96Å; V33-R43 WeakPolarHBondContact CA-O 3.27Å; V33-C44 HydrophobicContact CG2-CB 4.14Å; V33-V99 PolarHBondContact N-O 2.82Å; V33-L100 HydrophobicContact CG1-CD1 4.41Å; V33-L100 CarbonylContact O-C 3.5Å; V33-C101 PolarHBondContact O-N 2.84Å; V33-M222 HydrophobicContact CB-CE 4.31Å; V33-M222 HydrophobicContact CG2-CE 4.26Å; V33-F225 HydrophobicContact CB-CD2 4.5Å; V33-F225 HydrophobicContact CG1-CB 4.18Å; V33-F225 HydrophobicContact CG1-CD2 3.57Å; V33-F225 HydrophobicContact CG1-CE2 4.13Å; V33-F225 HydrophobicContact CG1-CG 3.82Å; V33-F225 HydrophobicContact CG2-CD1 4Å; V33-F225 HydrophobicContact CG2-CD2 4.07Å; V33-F225 HydrophobicContact CG2-CE1 3.89Å; V33-F225 HydrophobicContact CG2-CE2 3.97Å; V33-F225 HydrophobicContact CG2-CG 4.09Å; V33-F225 HydrophobicContact CG2-CZ 3.89Å
34	W	98.8	Very high	97.8	Very high	13 Å²	13	41 Å²	41	5%	0.049	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.4	162.4	177.7	71.6	100.1	0	0	0	112.2	L42 R43 K45 F64 L81 C101 T103	W34-L42 CarbonylContact O-C 3.51Å; W34-L42 WeakPolarHBondContact O-CA 3.39Å; W34-R43 HydrophobicContact CD2-CB 3.8Å; W34-R43 HydrophobicContact CE3-CB 4.16Å; W34-R43 HydrophobicContact CG-CB 4.46Å; W34-R43 HydrophobicContact CH2-CB 3.76Å; W34-R43 HydrophobicContact CZ2-CB 3.37Å; W34-R43 HydrophobicContact CZ2-CG 4.14Å; W34-R43 HydrophobicContact CZ3-CB 4.14Å; W34-R43 PolarHBondContact N-O 3.49Å; W34-R43 PolarHBondContact O-N 3.04Å; W34-K45 HydrophobicContact CH2-CD 4.44Å; W34-K45 HydrophobicContact CH2-CG 4.22Å; W34-K45 HydrophobicContact CZ3-CG 4Å; W34-F64 AromaticContact CD1-CZ 3.8Å; W34-F64 HydrophobicContact CZ2-CB 4.23Å; W34-F64 HydrophobicContact CZ2-CD1 4.23Å; W34-F64 AromaticContact CZ2-CD2 3.83Å; W34-F64 HydrophobicContact CZ2-CD2 3.83Å; W34-F64 HydrophobicContact CZ2-CE2 4.24Å; W34-F64 AromaticContact CZ2-CG 3.82Å; W34-F64 HydrophobicContact CZ2-CG 3.82Å; W34-F64 AromaticContact NE1-CD2 3.97Å; W34-F64 AromaticContact NE1-CE1 3.75Å; W34-F64 AromaticContact NE1-CE2 3.47Å; W34-F64 AromaticContact NE1-CZ 3.33Å; W34-F64 VanDerWaalsContact NE1-CZ 3.33Å; W34-L81 HydrophobicContact CB-CD2 3.64Å; W34-L81 HydrophobicContact CD2-CD1 4.27Å; W34-L81 HydrophobicContact CD2-CD2 3.69Å; W34-L81 HydrophobicContact CE3-CD1 3.82Å; W34-L81 HydrophobicContact CE3-CD2 3.99Å; W34-L81 HydrophobicContact CG-CD2 3.55Å; W34-L81 HydrophobicContact CZ3-CD1 4.02Å; W34-C101 HydrophobicContact CB-CB 4.41Å; W34-T103 HydrophobicContact CB-CG2 4.17Å; W34-T103 HydrophobicContact CG-CG2 4.29Å
35	I	98.7	Very high	97.9	Very high	17 Å²	17	40.4 Å²	40.4	9%	0.087	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	133.2	177.2	-53.9	155	0	0	0	108.5	N41 L42 Q71 W221 Y352	I35-N41 WeakPolarHBondContact CA-O 3.45Å; I35-L42 HydrophobicContact CG1-CD2 3.98Å; I35-Q71 PolarHBondContact O-NE2 3.07Å; I35-Q71 VanDerWaalsContact O-NE2 3.14Å; I35-W221 HydrophobicContact CD1-CD2 3.82Å; I35-W221 HydrophobicContact CD1-CG 4.1Å; I35-W221 HydrophobicContact CD1-CH2 4.45Å; I35-W221 HydrophobicContact CD1-CZ2 3.74Å; I35-W221 HydrophobicContact CG1-CD2 3.95Å; I35-W221 HydrophobicContact CG1-CE3 4.19Å; I35-W221 HydrophobicContact CG1-CG 4.46Å; I35-W221 HydrophobicContact CG1-CH2 4.29Å; I35-W221 HydrophobicContact CG1-CZ2 4.07Å; I35-W221 HydrophobicContact CG1-CZ3 4.35Å; I35-W221 HydrophobicContact CG2-CH2 4.23Å; I35-W221 HydrophobicContact CG2-CZ2 4.34Å; I35-Y352 HydrophobicContact CD1-CD2 4.37Å; I35-Y352 HydrophobicContact CD1-CE2 4.04Å
36	D	97.6	Very high	98.1	Very high	6 Å²	6	36.8 Å²	36.8	3%	0.032	20%	0.197	C	C	.	.			trans	-82.5	-174.8	-180	76.8	11.4	0	0	0	113.8	S38 G39 N41 R43	D36-S38 PolarHBondContact O-N 3.06Å; D36-S38 WeakPolarHBondContact OD1-CB 3.29Å; D36-S38 PolarHBondContact OD1-N 2.97Å; D36-S38 PolarHBondContact OD1-OG 3.29Å; D36-S38 VanDerWaalsContact OD1-OG 3.06Å; D36-G39 PolarHBondContact O-N 2.93Å; D36-G39 VanDerWaalsContact O-N 3.14Å; D36-N41 PolarHBondContact N-O 2.86Å; D36-N41 WeakPolarHBondContact OD2-CB 3.37Å; D36-R43 HydrophobicContact CB-CG 3.85Å; D36-R43 IonicContact OD2-CZ 3.06Å; D36-R43 VanDerWaalsContact OD2-CZ 3.29Å; D36-R43 IonicContact OD2-NE 2.67Å; D36-R43 PolarHBondContact OD2-NE 3.22Å; D36-R43 IonicContact OD2-NH2 3.8Å; D36-R43 PolarHBondContact OD2-NH2 2.67Å
37	G	96.9	Very high	98.2	Very high	34 Å²	34	35.4 Å²	35.4	35%	0.351	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.9	-13.2	-176.7	0	0	0	0	0	114.5	G39 T69 Q71	G37-G39 VanDerWaalsContact C-N 3.31Å; G37-T69 WeakPolarHBondContact CA-O 3.32Å; G37-T69 PolarHBondContact N-O 2.9Å; G37-Q71 VanDerWaalsContact CA-CG 3.5Å
38	S	96.3	Very high	98.2	Very high	50 Å²	50	35.5 Å²	35.5	35%	0.35	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.5	-17.5	174.4	91.8	0	0	0	0	112.5	D36 E40 N41	D36-S38 PolarHBondContact O-N 3.06Å; D36-S38 WeakPolarHBondContact OD1-CB 3.29Å; D36-S38 PolarHBondContact OD1-N 2.97Å; D36-S38 PolarHBondContact OD1-OG 3.29Å; D36-S38 VanDerWaalsContact OD1-OG 3.06Å; S38-E40 PolarHBondContact O-N 2.7Å; S38-E40 WeakPolarHBondContact OG-CB 3.41Å; S38-E40 PolarHBondContact OG-N 3.38Å; S38-E40 VanDerWaalsContact OG-N 3.14Å; S38-N41 PolarHBondContact OG-N 3.06Å; S38-N41 PolarHBondContact OG-ND2 2.58Å; S38-N41 VanDerWaalsContact OG-ND2 3.13Å
39	G	96.4	Very high	98.2	Very high	7 Å²	7	36.7 Å²	36.7	7%	0.072	20%	0.202	C	C	.	.	S	Bend	trans	72.6	3.1	-173.3	0	0	0	0	0	114.5	D36 G37 W221	D36-G39 PolarHBondContact O-N 2.93Å; D36-G39 VanDerWaalsContact O-N 3.14Å; G37-G39 VanDerWaalsContact C-N 3.31Å; G39-W221 WeakPolarHBondContact O-CH2 3.39Å
40	E	96.8	Very high	98.1	Very high	50 Å²	50	38.8 Å²	38.8	23%	0.234	21%	0.212	C	C	.	.	S	Bend	trans	-114.8	-41.8	-177	-68.8	178.8	-90.9	0	0	111.8	S38 P293 K294 N348	S38-E40 PolarHBondContact O-N 2.7Å; S38-E40 WeakPolarHBondContact OG-CB 3.41Å; S38-E40 PolarHBondContact OG-N 3.38Å; S38-E40 VanDerWaalsContact OG-N 3.14Å; E40-P293 HydrophobicContact CG-CB 3.89Å; E40-P293 HydrophobicContact CG-CG 3.55Å; E40-K294 IonicContact OE1-NZ 3.71Å; E40-N348 PolarHBondContact OE2-ND2 2.74Å
41	N	97.5	Very high	98	Very high	85 Å²	85	46.3 Å²	46.3	46%	0.455	25%	0.247	S	C	.	.			trans	-95.5	147.9	-169.5	-61.4	-64.9	0	0	0	111.9	I35 D36 S38	I35-N41 WeakPolarHBondContact CA-O 3.45Å; D36-N41 PolarHBondContact N-O 2.86Å; D36-N41 WeakPolarHBondContact OD2-CB 3.37Å; S38-N41 PolarHBondContact OG-N 3.06Å; S38-N41 PolarHBondContact OG-ND2 2.58Å; S38-N41 VanDerWaalsContact OG-ND2 3.13Å
42	L	98.6	Very high	98	Very high	31 Å²	31	48.1 Å²	48.1	16%	0.162	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	143.9	175.8	-69	158.3	0	0	0	110.5	V33 W34 I35 W221 R224 F225	V33-L42 HydrophobicContact CG1-CD2 3.96Å; W34-L42 CarbonylContact O-C 3.51Å; W34-L42 WeakPolarHBondContact O-CA 3.39Å; I35-L42 HydrophobicContact CG1-CD2 3.98Å; L42-W221 HydrophobicContact CD1-CE3 4.04Å; L42-W221 HydrophobicContact CD1-CZ3 4.46Å; L42-W221 HydrophobicContact CD2-CE3 3.81Å; L42-W221 HydrophobicContact CD2-CZ3 4.32Å; L42-W221 HydrophobicContact CG-CE3 4Å; L42-W221 HydrophobicContact CG-CZ3 4.19Å; L42-R224 HydrophobicContact CD1-CB 4.07Å; L42-F225 HydrophobicContact CB-CD2 4.28Å; L42-F225 HydrophobicContact CD1-CB 3.76Å; L42-F225 HydrophobicContact CD1-CD2 4.42Å
43	R	98.7	Very high	97.9	Very high	89 Å²	89	48.2 Å²	48.2	34%	0.336	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	156.3	173.2	-54.4	-63.6	-175.5	104.1	4.7	108.8	V33 W34 D36 S68 T69	V33-R43 WeakPolarHBondContact CA-O 3.27Å; W34-R43 HydrophobicContact CD2-CB 3.8Å; W34-R43 HydrophobicContact CE3-CB 4.16Å; W34-R43 HydrophobicContact CG-CB 4.46Å; W34-R43 HydrophobicContact CH2-CB 3.76Å; W34-R43 HydrophobicContact CZ2-CB 3.37Å; W34-R43 HydrophobicContact CZ2-CG 4.14Å; W34-R43 HydrophobicContact CZ3-CB 4.14Å; W34-R43 PolarHBondContact N-O 3.49Å; W34-R43 PolarHBondContact O-N 3.04Å; D36-R43 HydrophobicContact CB-CG 3.85Å; D36-R43 IonicContact OD2-CZ 3.06Å; D36-R43 VanDerWaalsContact OD2-CZ 3.29Å; D36-R43 IonicContact OD2-NE 2.67Å; D36-R43 PolarHBondContact OD2-NE 3.22Å; D36-R43 IonicContact OD2-NH2 3.8Å; D36-R43 PolarHBondContact OD2-NH2 2.67Å; R43-S68 PolarHBondContact NH1-O 3.49Å; R43-T69 HydrophobicContact CG-CG2 4.36Å
44	C	98.8	Very high	97.9	Very high	53 Å²	53	54.6 Å²	54.6	36%	0.358	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.6	156.5	174.6	67.7	0	0	0	0	113.3	M31 Y32 V33 F225	M31-C44 HydrophobicContact CG-CB 3.87Å; M31-C44 HydrophobicContact SD-CB 3.94Å; Y32-C44 CarbonylContact O-C 3.56Å; Y32-C44 WeakPolarHBondContact O-CA 3.35Å; Y32-C44 WeakPolarHBondContact O-CB 3.39Å; V33-C44 HydrophobicContact CG2-CB 4.14Å; C44-F225 HydrophobicContact CB-CE2 3.76Å; C44-F225 HydrophobicContact CB-CZ 3.96Å
45	K	98.7	Very high	97.8	Very high	60 Å²	60	57.2 Å²	57.2	26%	0.261	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.6	162	166.2	65.1	178.3	-176.4	161.8	0	110.7	M31 Y32 W34 W62 N63	M31-K45 CarbonylContact C-O 3.41Å; M31-K45 WeakPolarHBondContact CA-O 3.4Å; Y32-K45 PolarHBondContact N-O 3.08Å; Y32-K45 PolarHBondContact O-N 2.82Å; W34-K45 HydrophobicContact CH2-CD 4.44Å; W34-K45 HydrophobicContact CH2-CG 4.22Å; W34-K45 HydrophobicContact CZ3-CG 4Å; K45-W62 HydrophobicContact CD-CE3 4.4Å; K45-W62 HydrophobicContact CD-CH2 4.05Å; K45-W62 HydrophobicContact CD-CZ2 4.27Å; K45-W62 HydrophobicContact CD-CZ3 4.11Å; K45-W62 HydrophobicContact CG-CE3 4.27Å; K45-W62 HydrophobicContact CG-CH2 4.07Å; K45-W62 HydrophobicContact CG-CZ3 3.79Å; K45-W62 VanDerWaalsContact NZ-CE2 3.31Å; K45-N63 WeakPolarHBondContact CE-O 3.3Å; K45-N63 PolarHBondContact NZ-O 2.8Å
46	T	98.7	Very high	97.8	Very high	48 Å²	48	57.3 Å²	57.3	29%	0.294	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	132.8	-171.7	-62.9	0	0	0	0	112.2	Q29 V30 W62 R92	Q29-T46 HydrophobicContact CB-CG2 3.83Å; Q29-T46 HydrophobicContact CG-CG2 4.42Å; V30-T46 WeakPolarHBondContact O-CA 3.37Å; T46-W62 WeakPolarHBondContact O-CH2 3.4Å; T46-R92 PolarHBondContact OG1-NH1 3.04Å; T46-R92 VanDerWaalsContact OG1-NH1 3.08Å; T46-R92 PolarHBondContact OG1-NH2 3Å
47	M	98.1	Very high	97.8	Very high	46 Å²	46	64.1 Å²	64.1	23%	0.227	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	153.6	166.7	-173.3	175.9	-69.9	0	0	109.9	V30 P60 W62	V30-M47 PolarHBondContact N-O 2.6Å; V30-M47 PolarHBondContact O-N 2.62Å; M47-P60 HydrophobicContact CE-CG 4.37Å; M47-P60 HydrophobicContact SD-CG 3.91Å; M47-W62 HydrophobicContact CB-CE3 4.19Å; M47-W62 HydrophobicContact CB-CH2 3.66Å; M47-W62 HydrophobicContact CB-CZ2 4.44Å; M47-W62 HydrophobicContact CB-CZ3 3.51Å; M47-W62 HydrophobicContact CE-CD2 3.44Å; M47-W62 VanDerWaalsContact CE-CD2 3.44Å; M47-W62 VanDerWaalsContact CE-CE2 3.48Å; M47-W62 HydrophobicContact CE-CE3 3.73Å; M47-W62 HydrophobicContact CE-CG 3.9Å; M47-W62 HydrophobicContact CE-CH2 4.1Å; M47-W62 HydrophobicContact CE-CZ2 3.83Å; M47-W62 HydrophobicContact CE-CZ3 4.06Å; M47-W62 HydrophobicContact CG-CH2 4.44Å
48	T	98.6	Very high	97.9	Very high	77 Å²	77	66.3 Å²	66.3	47%	0.472	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	120.7	164.2	-55.1	0	0	0	0	109.7	K27 I28	K27-T48 HydrophobicContact CB-CG2 3.94Å; K27-T48 HydrophobicContact CD-CG2 3.95Å; K27-T48 HydrophobicContact CG-CG2 4.45Å; I28-T48 CarbonylContact O-C 3.54Å; I28-T48 WeakPolarHBondContact O-CA 3.36Å
49	M	98.3	Very high	98	Very high	28 Å²	28	64.3 Å²	64.3	14%	0.138	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	152.3	171.7	-68.2	-174.3	60.4	0	0	110.7	I28 V30 P53 D58	I28-M49 PolarHBondContact N-O 2.91Å; I28-M49 PolarHBondContact O-N 2.86Å; V30-M49 HydrophobicContact CB-CG 4.47Å; V30-M49 HydrophobicContact CB-SD 4.22Å; V30-M49 HydrophobicContact CG1-SD 4.42Å; V30-M49 HydrophobicContact CG2-CB 4.26Å; V30-M49 HydrophobicContact CG2-CG 3.89Å; V30-M49 HydrophobicContact CG2-SD 3.62Å; M49-P53 HydrophobicContact CE-CB 4.01Å; M49-P53 HydrophobicContact CE-CG 4.24Å; M49-P53 HydrophobicContact SD-CB 4.35Å; M49-P53 HydrophobicContact SD-CG 3.99Å; M49-D58 WeakPolarHBondContact CE-O 3.49Å
50	Q	97.6	Very high	98	Very high	108 Å²	108	66.7 Å²	66.7	51%	0.505	34%	0.338	S	S	.	.	S	Bend	trans	-81.6	-20.2	179.5	-60.3	-54.4	-53.4	0	0	113.3	D26	D26-Q50 CarbonylContact C-O 3.59Å; D26-Q50 WeakPolarHBondContact CA-O 3.39Å; D26-Q50 CarbonylContact O-C 3.54Å; D26-Q50 WeakPolarHBondContact O-CA 3.42Å; D26-Q50 VanDerWaalsContact O-O 3.09Å; D26-Q50 PolarHBondContact O-OE1 2.79Å
51	E	96.3	Very high	98.1	Very high	157 Å²	157	68.6 Å²	68.6	73%	0.734	35%	0.348	S	S	*	.	S	Bend	trans	-133.4	153.1	-178.7	-64	-177.4	-178.3	0	0	109.2	I28 P53	I28-E51 VanDerWaalsContact CD1-C 3.47Å; E51-P53 VanDerWaalsContact O-CD 3.29Å; E51-P53 WeakPolarHBondContact O-CD 3.36Å
52	E	97.8	Very high	98.1	Very high	51 Å²	51	67.2 Å²	67.2	24%	0.238	34%	0.336	C	S	.	.			trans	-75.2	114.9	176.8	-174.6	-165.3	158.6	0	0	109.7	I28 K54 K95 K97	I28-E52 HydrophobicContact CG1-CB 4.13Å; E52-K54 IonicContact OE1-NZ 3.58Å; E52-K54 PolarHBondContact OE1-NZ 3.41Å; E52-K54 IonicContact OE2-NZ 4Å; E52-K54 PolarHBondContact OE2-NZ 2.87Å; E52-K95 HydrophobicContact CB-CB 4.36Å; E52-K95 HydrophobicContact CG-CB 4.01Å; E52-K95 HydrophobicContact CG-CG 4.45Å; E52-K97 VanDerWaalsContact OE1-CE 3.3Å; E52-K97 WeakPolarHBondContact OE1-CE 3.44Å; E52-K97 IonicContact OE1-NZ 3.37Å; E52-K97 PolarHBondContact OE1-NZ 3.07Å
53	P	98	Very high	98	Very high	3 Å²	3	68.5 Å²	68.5	2%	0.019	34%	0.343	C	S	.	.			trans	-70.4	141.7	176.9	34.2	-37	0	0	0	109.7	V30 M49 E51 D58 C59 M86 K97	V30-P53 HydrophobicContact CG2-CG 4.09Å; M49-P53 HydrophobicContact CE-CB 4.01Å; M49-P53 HydrophobicContact CE-CG 4.24Å; M49-P53 HydrophobicContact SD-CB 4.35Å; M49-P53 HydrophobicContact SD-CG 3.99Å; E51-P53 VanDerWaalsContact O-CD 3.29Å; E51-P53 WeakPolarHBondContact O-CD 3.36Å; P53-D58 HydrophobicContact CB-CB 3.63Å; P53-C59 VanDerWaalsContact CB-SG 3.56Å; P53-M86 HydrophobicContact CB-CE 3.78Å; P53-M86 HydrophobicContact CB-SD 4.39Å; P53-M86 HydrophobicContact CG-CE 3.96Å; P53-M86 HydrophobicContact CG-SD 4.2Å; P53-K97 HydrophobicContact CG-CG 4.02Å; P53-K97 WeakPolarHBondContact O-CE 3.46Å
54	K	97.7	Very high	98	Very high	134 Å²	134	64.9 Å²	64.9	58%	0.583	33%	0.33	S	S	*	.	S	Bend	trans	-106.5	-30.2	-175.8	-59.2	-61.4	172.1	-179.3	0	112.1	E52 D58	E52-K54 IonicContact OE1-NZ 3.58Å; E52-K54 PolarHBondContact OE1-NZ 3.41Å; E52-K54 IonicContact OE2-NZ 4Å; E52-K54 PolarHBondContact OE2-NZ 2.87Å; K54-D58 WeakPolarHBondContact CA-OD2 3.46Å; K54-D58 PolarHBondContact N-OD2 3.42Å
55	V	98.2	Very high	97.9	Very high	67 Å²	67	65.4 Å²	65.4	41%	0.406	33%	0.329	S	S	.	.	S	Bend	trans	-132.4	155.1	175.1	-62.2	0	0	0	0	110.3	E57 D58 M86	V55-E57 WeakPolarHBondContact CB-OE2 3.47Å; V55-E57 HydrophobicContact CG2-CB 4.18Å; V55-E57 WeakPolarHBondContact CG2-OE2 3.31Å; V55-E57 PolarHBondContact O-N 3.11Å; V55-D58 PolarHBondContact N-OD2 2.92Å; V55-D58 WeakPolarHBondContact O-CB 3.39Å; V55-D58 PolarHBondContact O-N 3.06Å; V55-M86 WeakPolarHBondContact O-CE 3.32Å
56	P	98.1	Very high	97.9	Very high	20 Å²	20	62.5 Å²	62.5	13%	0.13	32%	0.317	C	S	.	.	G	3₁₀ helix	trans	-51.3	-32.5	-179.1	-27.9	35.6	0	0	0	114	D58 C59 P83 M86	P56-D58 PolarHBondContact O-N 2.97Å; P56-C59 VanDerWaalsContact O-CB 3.31Å; P56-C59 WeakPolarHBondContact O-CB 3.23Å; P56-C59 PolarHBondContact O-N 2.99Å; P56-C59 VanDerWaalsContact O-N 3.07Å; P56-P83 HydrophobicContact CB-CB 4.03Å; P56-P83 WeakPolarHBondContact O-CB 3.46Å; P56-M86 HydrophobicContact CG-CB 4.1Å
57	E	97.9	Very high	97.8	Very high	148 Å²	148	62.8 Å²	62.8	69%	0.692	32%	0.32	S	S	*	.	G	3₁₀ helix	trans	-66.2	-21.9	179.7	-63.6	70.7	-155.9	0	0	113.8	V55 C59	V55-E57 WeakPolarHBondContact CB-OE2 3.47Å; V55-E57 HydrophobicContact CG2-CB 4.18Å; V55-E57 WeakPolarHBondContact CG2-OE2 3.31Å; V55-E57 PolarHBondContact O-N 3.11Å; E57-C59 PolarHBondContact O-N 2.76Å
58	D	98	Very high	97.8	Very high	81 Å²	81	64.3 Å²	64.3	43%	0.433	34%	0.336	S	S	.	.	G	3₁₀ helix	trans	-71.9	-18.6	174.1	-60.7	-29.5	0	0	0	111.7	M49 P53 K54 V55 P56	M49-D58 WeakPolarHBondContact CE-O 3.49Å; P53-D58 HydrophobicContact CB-CB 3.63Å; K54-D58 WeakPolarHBondContact CA-OD2 3.46Å; K54-D58 PolarHBondContact N-OD2 3.42Å; V55-D58 PolarHBondContact N-OD2 2.92Å; V55-D58 WeakPolarHBondContact O-CB 3.39Å; V55-D58 PolarHBondContact O-N 3.06Å; P56-D58 PolarHBondContact O-N 2.97Å
59	C	98.4	Very high	97.7	Very high	7 Å²	7	61.1 Å²	61.1	5%	0.047	32%	0.316	C	S	.	.	S	Bend	trans	-86.6	131.9	179.3	-66.8	0	0	0	0	110.4	Y32 P53 P56 E57 P83	Y32-C59 WeakPolarHBondContact OH-CB 3.35Å; P53-C59 VanDerWaalsContact CB-SG 3.56Å; P56-C59 VanDerWaalsContact O-CB 3.31Å; P56-C59 WeakPolarHBondContact O-CB 3.23Å; P56-C59 PolarHBondContact O-N 2.99Å; P56-C59 VanDerWaalsContact O-N 3.07Å; E57-C59 PolarHBondContact O-N 2.76Å; C59-P83 HydrophobicContact CB-CB 4.04Å; C59-P83 HydrophobicContact CB-CG 3.61Å
60	P	97.9	Very high	97.6	Very high	57 Å²	57	62.7 Å²	62.7	37%	0.37	34%	0.34	S	S	.	.	P	Polyproline II helix	trans	-65.8	151.2	178.8	27.4	-34.9	0	0	0	111.5	Y32 M47 W62	Y32-P60 WeakPolarHBondContact CE1-O 3.35Å; Y32-P60 VanDerWaalsContact OH-CD 3.3Å; Y32-P60 WeakPolarHBondContact OH-CD 3.24Å; Y32-P60 PolarHBondContact OH-O 2.99Å; M47-P60 HydrophobicContact CE-CG 4.37Å; M47-P60 HydrophobicContact SD-CG 3.91Å; P60-W62 PolarHBondContact O-N 2.71Å
61	M	97.7	Very high	97.6	Very high	91 Å²	91	58.1 Å²	58.1	45%	0.448	32%	0.318	S	S	.	.	P	Polyproline II helix	trans	-59	141.2	160.4	-74.2	-171.9	69.6	0	0	109.3	Y80 L81 K82	M61-Y80 HydrophobicContact CE-CD1 4.47Å; M61-Y80 HydrophobicContact CE-CG 4.28Å; M61-L81 WeakPolarHBondContact CA-O 3.48Å; M61-K82 HydrophobicContact CE-CB 4.36Å
62	W	98	Very high	97.5	Very high	55 Å²	55	52.1 Å²	52.1	21%	0.208	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	179.2	175.5	-155.4	1.5	0	0	0	110.1	Y32 K45 T46 M47 P60 Y80 L81	Y32-W62 HydrophobicContact CD1-CB 4.26Å; Y32-W62 HydrophobicContact CD1-CE3 4.16Å; Y32-W62 AromaticContact CD2-CE3 3.97Å; Y32-W62 HydrophobicContact CD2-CE3 3.97Å; Y32-W62 HydrophobicContact CD2-CZ3 4.23Å; Y32-W62 HydrophobicContact CE1-CB 4.02Å; Y32-W62 HydrophobicContact CE1-CE3 4.42Å; Y32-W62 HydrophobicContact CE2-CE3 4.25Å; Y32-W62 AromaticContact CG-CE3 3.94Å; Y32-W62 HydrophobicContact CG-CE3 3.94Å; Y32-W62 HydrophobicContact CG-CZ3 4.46Å; K45-W62 HydrophobicContact CD-CE3 4.4Å; K45-W62 HydrophobicContact CD-CH2 4.05Å; K45-W62 HydrophobicContact CD-CZ2 4.27Å; K45-W62 HydrophobicContact CD-CZ3 4.11Å; K45-W62 HydrophobicContact CG-CE3 4.27Å; K45-W62 HydrophobicContact CG-CH2 4.07Å; K45-W62 HydrophobicContact CG-CZ3 3.79Å; K45-W62 VanDerWaalsContact NZ-CE2 3.31Å; T46-W62 WeakPolarHBondContact O-CH2 3.4Å; M47-W62 HydrophobicContact CB-CE3 4.19Å; M47-W62 HydrophobicContact CB-CH2 3.66Å; M47-W62 HydrophobicContact CB-CZ2 4.44Å; M47-W62 HydrophobicContact CB-CZ3 3.51Å; M47-W62 HydrophobicContact CE-CD2 3.44Å; M47-W62 VanDerWaalsContact CE-CD2 3.44Å; M47-W62 VanDerWaalsContact CE-CE2 3.48Å; M47-W62 HydrophobicContact CE-CE3 3.73Å; M47-W62 HydrophobicContact CE-CG 3.9Å; M47-W62 HydrophobicContact CE-CH2 4.1Å; M47-W62 HydrophobicContact CE-CZ2 3.83Å; M47-W62 HydrophobicContact CE-CZ3 4.06Å; M47-W62 HydrophobicContact CG-CH2 4.44Å; P60-W62 PolarHBondContact O-N 2.71Å; W62-Y80 CarbonylContact O-C 3.49Å; W62-Y80 VanDerWaalsContact O-CA 3.29Å; W62-Y80 WeakPolarHBondContact O-CA 3.29Å; W62-L81 HydrophobicContact CB-CB 4.42Å; W62-L81 PolarHBondContact N-O 3.04Å; W62-L81 PolarHBondContact O-N 2.83Å
63	N	97.5	Very high	97.2	Very high	58 Å²	58	57 Å²	57	31%	0.31	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	162.9	178.2	68.4	-54.8	0	0	0	110.1	K45 D78 V79 Y80	K45-N63 WeakPolarHBondContact CE-O 3.3Å; K45-N63 PolarHBondContact NZ-O 2.8Å; N63-D78 PolarHBondContact ND2-OD1 3.23Å; N63-V79 CarbonylContact C-O 3.53Å; N63-V79 WeakPolarHBondContact CA-O 3.28Å; N63-Y80 HydrophobicContact CB-CD1 4.01Å; N63-Y80 HydrophobicContact CB-CE1 4.15Å
64	F	98	Very high	96.8	Very high	13 Å²	13	59.9 Å²	59.9	6%	0.057	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.9	167	170.4	65.4	-80.2	0	0	0	109.6	W34 G66 T69 Q71 V79 L81 T103	W34-F64 AromaticContact CD1-CZ 3.8Å; W34-F64 HydrophobicContact CZ2-CB 4.23Å; W34-F64 HydrophobicContact CZ2-CD1 4.23Å; W34-F64 AromaticContact CZ2-CD2 3.83Å; W34-F64 HydrophobicContact CZ2-CD2 3.83Å; W34-F64 HydrophobicContact CZ2-CE2 4.24Å; W34-F64 AromaticContact CZ2-CG 3.82Å; W34-F64 HydrophobicContact CZ2-CG 3.82Å; W34-F64 AromaticContact NE1-CD2 3.97Å; W34-F64 AromaticContact NE1-CE1 3.75Å; W34-F64 AromaticContact NE1-CE2 3.47Å; W34-F64 AromaticContact NE1-CZ 3.33Å; W34-F64 VanDerWaalsContact NE1-CZ 3.33Å; F64-G66 PolarHBondContact O-N 3.25Å; F64-T69 HydrophobicContact CD2-CG2 3.91Å; F64-T69 HydrophobicContact CE2-CG2 3.78Å; F64-T69 WeakPolarHBondContact CE2-OG1 3.38Å; F64-Q71 VanDerWaalsContact CE2-OE1 3.31Å; F64-Q71 VanDerWaalsContact CZ-OE1 3.27Å; F64-V79 HydrophobicContact CD1-CB 4.26Å; F64-V79 VanDerWaalsContact CD1-O 3.28Å; F64-V79 WeakPolarHBondContact CD1-O 3.42Å; F64-V79 HydrophobicContact CE1-CB 3.62Å; F64-V79 HydrophobicContact CE1-CG1 3.49Å; F64-V79 VanDerWaalsContact CE1-CG1 3.49Å; F64-V79 HydrophobicContact CE2-CB 4Å; F64-V79 HydrophobicContact CE2-CG1 4.36Å; F64-V79 HydrophobicContact CZ-CB 3.49Å; F64-V79 VanDerWaalsContact CZ-CB 3.49Å; F64-V79 HydrophobicContact CZ-CG1 3.41Å; F64-V79 VanDerWaalsContact CZ-CG1 3.41Å; F64-V79 HydrophobicContact CZ-CG2 4.32Å; F64-V79 PolarHBondContact N-O 3.39Å; F64-V79 PolarHBondContact O-N 2.64Å; F64-L81 HydrophobicContact CD1-CD1 3.92Å; F64-L81 HydrophobicContact CD1-CD2 3.72Å; F64-L81 HydrophobicContact CD1-CG 3.61Å; F64-L81 HydrophobicContact CE1-CD2 3.45Å; F64-L81 VanDerWaalsContact CE1-CD2 3.45Å; F64-L81 HydrophobicContact CE1-CG 3.84Å; F64-T103 HydrophobicContact CE1-CG2 4.24Å; F64-T103 HydrophobicContact CZ-CG2 4.22Å
65	D	97.5	Very high	96.5	Very high	64 Å²	64	58.6 Å²	58.6	34%	0.342	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	100	173.9	173	26	0	0	0	110.4	S67 S68 S77	D65-S67 VanDerWaalsContact CG-OG 3.3Å; D65-S67 PolarHBondContact O-N 2.76Å; D65-S67 WeakPolarHBondContact OD1-CB 3.3Å; D65-S67 PolarHBondContact OD1-N 3.1Å; D65-S67 VanDerWaalsContact OD1-N 3.1Å; D65-S67 PolarHBondContact OD1-OG 2.98Å; D65-S67 PolarHBondContact OD2-OG 3.2Å; D65-S68 PolarHBondContact O-N 3.35Å; D65-S68 PolarHBondContact OD2-OG 2.81Å; D65-S77 WeakPolarHBondContact OD1-CB 3.44Å; D65-S77 PolarHBondContact OD1-OG 2.88Å; D65-S77 VanDerWaalsContact OD1-OG 3.04Å
66	G	97.6	Very high	96.1	Very high	0 Å²	0	58.6 Å²	58.6	0%	0	35%	0.354	C	S	.	.	G	3₁₀ helix	trans	-66.7	-19.9	178.1	0	0	0	0	0	114	F64 S68 T69 G70 Q71 A72 S77	F64-G66 PolarHBondContact O-N 3.25Å; G66-S68 PolarHBondContact O-N 3Å; G66-T69 WeakPolarHBondContact CA-OG1 3.08Å; G66-T69 PolarHBondContact O-N 2.74Å; G66-T69 VanDerWaalsContact O-N 3.14Å; G66-T69 PolarHBondContact O-OG1 3.21Å; G66-T69 VanDerWaalsContact O-OG1 3.11Å; G66-G70 PolarHBondContact O-N 3.04Å; G66-G70 VanDerWaalsContact O-N 3.14Å; G66-Q71 PolarHBondContact O-N 2.89Å; G66-A72 PolarHBondContact O-N 3.39Å; G66-S77 WeakPolarHBondContact CA-O 3.17Å; G66-S77 PolarHBondContact N-O 3.5Å
67	S	96.7	Very high	95.9	Very high	53 Å²	53	59.2 Å²	59.2	37%	0.371	36%	0.359	S	S	.	.	G	3₁₀ helix	trans	-67.4	-28.7	175.7	76	0	0	0	0	112	D65 T69 A72	D65-S67 VanDerWaalsContact CG-OG 3.3Å; D65-S67 PolarHBondContact O-N 2.76Å; D65-S67 WeakPolarHBondContact OD1-CB 3.3Å; D65-S67 PolarHBondContact OD1-N 3.1Å; D65-S67 VanDerWaalsContact OD1-N 3.1Å; D65-S67 PolarHBondContact OD1-OG 2.98Å; D65-S67 PolarHBondContact OD2-OG 3.2Å; S67-T69 VanDerWaalsContact C-N 3.25Å; S67-T69 PolarHBondContact O-N 2.98Å; S67-A72 VanDerWaalsContact CA-O 3.28Å; S67-A72 WeakPolarHBondContact CA-O 3.47Å
68	S	97.5	Very high	95.7	Very high	78 Å²	78	55.5 Å²	55.5	55%	0.545	34%	0.344	S	S	.	.	G	3₁₀ helix	trans	-81.5	1.1	175.3	-66.3	0	0	0	0	113.9	R43 D65 G66	R43-S68 PolarHBondContact NH1-O 3.49Å; D65-S68 PolarHBondContact O-N 3.35Å; D65-S68 PolarHBondContact OD2-OG 2.81Å; G66-S68 PolarHBondContact O-N 3Å
69	T	97.4	Very high	95.7	Very high	10 Å²	10	51.7 Å²	51.7	6%	0.061	32%	0.324	C	S	.	.	G	3₁₀ helix	trans	-132.4	6	-177.9	69.8	0	0	0	0	113.6	G37 R43 F64 G66 S67 Q71	G37-T69 WeakPolarHBondContact CA-O 3.32Å; G37-T69 PolarHBondContact N-O 2.9Å; R43-T69 HydrophobicContact CG-CG2 4.36Å; F64-T69 HydrophobicContact CD2-CG2 3.91Å; F64-T69 HydrophobicContact CE2-CG2 3.78Å; F64-T69 WeakPolarHBondContact CE2-OG1 3.38Å; G66-T69 WeakPolarHBondContact CA-OG1 3.08Å; G66-T69 PolarHBondContact O-N 2.74Å; G66-T69 VanDerWaalsContact O-N 3.14Å; G66-T69 PolarHBondContact O-OG1 3.21Å; G66-T69 VanDerWaalsContact O-OG1 3.11Å; S67-T69 VanDerWaalsContact C-N 3.25Å; S67-T69 PolarHBondContact O-N 2.98Å; T69-Q71 WeakPolarHBondContact OG1-CG 3.37Å; T69-Q71 PolarHBondContact OG1-OE1 3.43Å
70	G	96	Very high	95.7	Very high	62 Å²	62	54.3 Å²	54.3	64%	0.639	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	71.6	26.3	-177.6	0	0	0	0	0	114	G66	G66-G70 PolarHBondContact O-N 3.04Å; G66-G70 VanDerWaalsContact O-N 3.14Å
71	Q	97.2	Very high	95.8	Very high	11 Å²	11	51.6 Å²	51.6	5%	0.051	32%	0.315	C	S	.	.	S	Bend	trans	-119.2	-3.5	-174.7	-65.8	175.9	-72.4	0	0	113.5	I35 G37 F64 G66 T69 V79 H111 S113	I35-Q71 PolarHBondContact O-NE2 3.07Å; I35-Q71 VanDerWaalsContact O-NE2 3.14Å; G37-Q71 VanDerWaalsContact CA-CG 3.5Å; F64-Q71 VanDerWaalsContact CE2-OE1 3.31Å; F64-Q71 VanDerWaalsContact CZ-OE1 3.27Å; G66-Q71 PolarHBondContact O-N 2.89Å; T69-Q71 WeakPolarHBondContact OG1-CG 3.37Å; T69-Q71 PolarHBondContact OG1-OE1 3.43Å; Q71-V79 HydrophobicContact CB-CG2 4.13Å; Q71-H111 WeakPolarHBondContact CA-NE2 3.46Å; Q71-H111 PolarHBondContact O-CD2 2.84Å; Q71-H111 PolarHBondContact O-NE2 3.01Å; Q71-S113 PolarHBondContact NE2-OG 2.7Å; Q71-S113 VanDerWaalsContact NE2-OG 3.07Å
72	A	95.1	Very high	95.8	Very high	32 Å²	32	51.5 Å²	51.5	26%	0.264	31%	0.312	S	S	.	.	S	Bend	trans	-156.7	158.6	174.8	0	0	0	0	0	111.4	G66 S67 V79	G66-A72 PolarHBondContact O-N 3.39Å; S67-A72 VanDerWaalsContact CA-O 3.28Å; S67-A72 WeakPolarHBondContact CA-O 3.47Å; A72-V79 HydrophobicContact CB-CG2 4.05Å
73	E	91.4	Very high	95.8	Very high	154 Å²	154	49.5 Å²	49.5	72%	0.72	31%	0.306	S	S	*	.			trans	-78.2	150.7	168.3	-63.6	-178.2	179.7	0	0	110.1	S75 N76 S77	E73-S75 PolarHBondContact O-N 3.35Å; E73-S75 VanDerWaalsContact O-N 3.12Å; E73-N76 CarbonylContact O-C 3.57Å; E73-N76 VanDerWaalsContact O-C 3.29Å; E73-N76 PolarHBondContact O-N 3.29Å; E73-N76 VanDerWaalsContact O-N 3.14Å; E73-S77 WeakPolarHBondContact O-CA 3.15Å; E73-S77 WeakPolarHBondContact O-CB 3.39Å; E73-S77 PolarHBondContact O-N 2.98Å
74	G	89.1	Confident	95.9	Very high	62 Å²	62	47.6 Å²	47.6	64%	0.639	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.6	-22.2	-177.3	0	0	0	0	0	114.9	N76	G74-N76 VanDerWaalsContact C-N 3.34Å
75	S	90.5	Very high	95.9	Very high	108 Å²	108	47.6 Å²	47.6	76%	0.755	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.1	-21	178.7	55.8	0	0	0	0	113.8	E73	E73-S75 PolarHBondContact O-N 3.35Å; E73-S75 VanDerWaalsContact O-N 3.12Å
76	N	90.7	Very high	96	Very high	67 Å²	67	46.3 Å²	46.3	36%	0.358	29%	0.292	S	S	.	.	S	Bend	trans	-151.4	71.5	179.5	-173.3	7	0	0	0	109.1	E73 G74 Y106	E73-N76 CarbonylContact O-C 3.57Å; E73-N76 VanDerWaalsContact O-C 3.29Å; E73-N76 PolarHBondContact O-N 3.29Å; E73-N76 VanDerWaalsContact O-N 3.14Å; G74-N76 VanDerWaalsContact C-N 3.34Å; N76-Y106 WeakPolarHBondContact ND2-CD1 3.49Å; N76-Y106 WeakPolarHBondContact ND2-CE1 3.37Å; N76-Y106 VanDerWaalsContact ND2-CG 3.29Å
77	S	93.2	Very high	96	Very high	32 Å²	32	47 Å²	47	22%	0.224	30%	0.295	C	S	.	.			trans	-93.8	-8	-161.8	71.4	0	0	0	0	115.3	D65 G66 E73 V79	D65-S77 WeakPolarHBondContact OD1-CB 3.44Å; D65-S77 PolarHBondContact OD1-OG 2.88Å; D65-S77 VanDerWaalsContact OD1-OG 3.04Å; G66-S77 WeakPolarHBondContact CA-O 3.17Å; G66-S77 PolarHBondContact N-O 3.5Å; E73-S77 WeakPolarHBondContact O-CA 3.15Å; E73-S77 WeakPolarHBondContact O-CB 3.39Å; E73-S77 PolarHBondContact O-N 2.98Å; S77-V79 PolarHBondContact O-N 2.93Å
78	D	95.1	Very high	96.1	Very high	70 Å²	70	49.9 Å²	49.9	37%	0.374	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.3	118.5	-179.2	-88.3	-39.9	0	0	0	112	N63	N63-D78 PolarHBondContact ND2-OD1 3.23Å
79	V	97.8	Very high	96.2	Very high	2 Å²	2	46.1 Å²	46.1	1%	0.012	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	135	169	180	0	0	0	0	108.5	N63 F64 Q71 A72 S77 T103 Y104	N63-V79 CarbonylContact C-O 3.53Å; N63-V79 WeakPolarHBondContact CA-O 3.28Å; F64-V79 HydrophobicContact CD1-CB 4.26Å; F64-V79 VanDerWaalsContact CD1-O 3.28Å; F64-V79 WeakPolarHBondContact CD1-O 3.42Å; F64-V79 HydrophobicContact CE1-CB 3.62Å; F64-V79 HydrophobicContact CE1-CG1 3.49Å; F64-V79 VanDerWaalsContact CE1-CG1 3.49Å; F64-V79 HydrophobicContact CE2-CB 4Å; F64-V79 HydrophobicContact CE2-CG1 4.36Å; F64-V79 HydrophobicContact CZ-CB 3.49Å; F64-V79 VanDerWaalsContact CZ-CB 3.49Å; F64-V79 HydrophobicContact CZ-CG1 3.41Å; F64-V79 VanDerWaalsContact CZ-CG1 3.41Å; F64-V79 HydrophobicContact CZ-CG2 4.32Å; F64-V79 PolarHBondContact N-O 3.39Å; F64-V79 PolarHBondContact O-N 2.64Å; Q71-V79 HydrophobicContact CB-CG2 4.13Å; A72-V79 HydrophobicContact CB-CG2 4.05Å; S77-V79 PolarHBondContact O-N 2.93Å; V79-T103 HydrophobicContact CG1-CG2 4.43Å; V79-Y104 WeakPolarHBondContact CG1-O 3.19Å
80	Y	98.4	Very high	96.3	Very high	62 Å²	62	47.1 Å²	47.1	24%	0.243	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	142.3	-177.9	-67.7	-80.6	0	0	0	112.3	M61 W62 N63 T103 Y104 N105 K108	M61-Y80 HydrophobicContact CE-CD1 4.47Å; M61-Y80 HydrophobicContact CE-CG 4.28Å; W62-Y80 CarbonylContact O-C 3.49Å; W62-Y80 VanDerWaalsContact O-CA 3.29Å; W62-Y80 WeakPolarHBondContact O-CA 3.29Å; N63-Y80 HydrophobicContact CB-CD1 4.01Å; N63-Y80 HydrophobicContact CB-CE1 4.15Å; Y80-T103 CarbonylContact O-C 3.46Å; Y80-T103 WeakPolarHBondContact O-CA 3.46Å; Y80-Y104 PolarHBondContact N-O 3.1Å; Y80-Y104 PolarHBondContact O-N 3.28Å; Y80-N105 WeakPolarHBondContact CD2-O 3.41Å; Y80-K108 HydrophobicContact CD2-CD 3.92Å; Y80-K108 VanDerWaalsContact CD2-NZ 3.28Å; Y80-K108 HydrophobicContact CE2-CD 4.07Å; Y80-K108 HydrophobicContact CG-CD 4.4Å; Y80-K108 VanDerWaalsContact CG-NZ 3.25Å
81	L	98.7	Very high	96.3	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	119.9	172.2	-62.2	172.3	0	0	0	108.9	Y32 W34 M61 W62 F64 C101 E102 T103	Y32-L81 HydrophobicContact CD1-CB 4.13Å; Y32-L81 HydrophobicContact CD1-CD1 4.19Å; W34-L81 HydrophobicContact CB-CD2 3.64Å; W34-L81 HydrophobicContact CD2-CD1 4.27Å; W34-L81 HydrophobicContact CD2-CD2 3.69Å; W34-L81 HydrophobicContact CE3-CD1 3.82Å; W34-L81 HydrophobicContact CE3-CD2 3.99Å; W34-L81 HydrophobicContact CG-CD2 3.55Å; W34-L81 HydrophobicContact CZ3-CD1 4.02Å; M61-L81 WeakPolarHBondContact CA-O 3.48Å; W62-L81 HydrophobicContact CB-CB 4.42Å; W62-L81 PolarHBondContact N-O 3.04Å; W62-L81 PolarHBondContact O-N 2.83Å; F64-L81 HydrophobicContact CD1-CD1 3.92Å; F64-L81 HydrophobicContact CD1-CD2 3.72Å; F64-L81 HydrophobicContact CD1-CG 3.61Å; F64-L81 HydrophobicContact CE1-CD2 3.45Å; F64-L81 VanDerWaalsContact CE1-CD2 3.45Å; F64-L81 HydrophobicContact CE1-CG 3.84Å; L81-C101 HydrophobicContact CB-CB 3.96Å; L81-C101 HydrophobicContact CD2-CB 3.95Å; L81-C101 HydrophobicContact CG-CB 4.49Å; L81-E102 WeakPolarHBondContact CA-O 3.29Å; L81-T103 HydrophobicContact CD2-CG2 4.2Å
82	K	98.6	Very high	96.3	Very high	88 Å²	88	47.9 Å²	47.9	38%	0.383	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	113.8	172.3	-175.6	-172.9	175.7	-170.6	0	109.1	M61 C84 C101 E102 Y104	M61-K82 HydrophobicContact CE-CB 4.36Å; K82-C84 PolarHBondContact O-N 3.28Å; K82-C101 CarbonylContact O-C 3.57Å; K82-C101 VanDerWaalsContact O-CA 3.28Å; K82-C101 WeakPolarHBondContact O-CA 3.22Å; K82-E102 HydrophobicContact CB-CB 4.42Å; K82-E102 PolarHBondContact N-O 3.36Å; K82-E102 PolarHBondContact O-N 2.84Å; K82-Y104 HydrophobicContact CB-CD2 3.85Å; K82-Y104 HydrophobicContact CB-CE2 3.63Å; K82-Y104 HydrophobicContact CD-CD2 4.46Å; K82-Y104 HydrophobicContact CD-CE2 3.59Å; K82-Y104 HydrophobicContact CG-CE2 4.26Å
83	P	98.8	Very high	96.4	Very high	13 Å²	13	47.3 Å²	47.3	8%	0.084	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-51.5	136	173.8	-31.7	39.9	0	0	0	112.5	Y32 P56 C59 V99	Y32-P83 HydrophobicContact CE1-CG 3.8Å; P56-P83 HydrophobicContact CB-CB 4.03Å; P56-P83 WeakPolarHBondContact O-CB 3.46Å; C59-P83 HydrophobicContact CB-CB 4.04Å; C59-P83 HydrophobicContact CB-CG 3.61Å; P83-V99 HydrophobicContact CB-CG1 3.61Å; P83-V99 HydrophobicContact CG-CG1 4.03Å
84	C	98.5	Very high	96.6	Very high	19 Å²	19	42.7 Å²	42.7	13%	0.128	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	-23.1	-176.6	71.5	0	0	0	0	115.2	K82 L100 E102 R116	K82-C84 PolarHBondContact O-N 3.28Å; C84-L100 PolarHBondContact N-O 3.36Å; C84-L100 VanDerWaalsContact SG-C 3.59Å; C84-L100 PolarHBondContact SG-O 2.95Å; C84-E102 HydrophobicContact CB-CG 4.18Å; C84-R116 VanDerWaalsContact CB-CZ 3.45Å; C84-R116 PolarHBondContact O-NH2 3.45Å; C84-R116 PolarHBondContact SG-NE 3.01Å; C84-R116 VanDerWaalsContact SG-NE 3.42Å
85	A	98.7	Very high	97	Very high	12 Å²	12	43.3 Å²	43.3	10%	0.099	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148	151.4	169.4	0	0	0	0	0	110.3	F87 V99 L100 D218	A85-F87 HydrophobicContact CB-CE2 3.81Å; A85-F87 HydrophobicContact CB-CZ 4.32Å; A85-V99 CarbonylContact O-C 3.41Å; A85-V99 WeakPolarHBondContact O-CA 3.44Å; A85-L100 HydrophobicContact CB-CB 4.17Å; A85-L100 PolarHBondContact N-O 3.46Å; A85-L100 PolarHBondContact O-N 3.43Å; A85-D218 HydrophobicContact CB-CB 3.99Å
86	M	98.7	Very high	97.3	Very high	37 Å²	37	38.2 Å²	38.2	18%	0.182	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	138.4	-176	-174	-174.6	-57	0	0	111.5	P53 V55 P56 K97 L98 V99	P53-M86 HydrophobicContact CB-CE 3.78Å; P53-M86 HydrophobicContact CB-SD 4.39Å; P53-M86 HydrophobicContact CG-CE 3.96Å; P53-M86 HydrophobicContact CG-SD 4.2Å; V55-M86 WeakPolarHBondContact O-CE 3.32Å; P56-M86 HydrophobicContact CG-CB 4.1Å; M86-K97 HydrophobicContact CG-CB 4.25Å; M86-K97 HydrophobicContact CG-CD 4.19Å; M86-K97 HydrophobicContact CG-CG 4.38Å; M86-K97 HydrophobicContact SD-CB 4.47Å; M86-K97 HydrophobicContact SD-CD 3.89Å; M86-K97 HydrophobicContact SD-CG 4.03Å; M86-L98 WeakPolarHBondContact CA-O 3.43Å; M86-V99 HydrophobicContact CE-CG2 4.35Å; M86-V99 HydrophobicContact CG-CG2 4.18Å
87	F	98.8	Very high	97.7	Very high	14 Å²	14	36 Å²	36	6%	0.061	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	159	-177.9	-58.1	-92.7	0	0	0	109.9	A85 K97 L98 A188 V190 H219 M222	A85-F87 HydrophobicContact CB-CE2 3.81Å; A85-F87 HydrophobicContact CB-CZ 4.32Å; F87-K97 WeakPolarHBondContact O-CA 3.44Å; F87-L98 HydrophobicContact CB-CB 4.35Å; F87-L98 PolarHBondContact N-O 3.43Å; F87-L98 PolarHBondContact O-N 3.4Å; F87-A188 HydrophobicContact CB-CB 4.34Å; F87-A188 WeakPolarHBondContact CB-O 3.08Å; F87-V190 HydrophobicContact CD1-CG2 3.95Å; F87-V190 HydrophobicContact CE1-CG2 4.01Å; F87-H219 AromaticContact CE1-CE1 3.74Å; F87-H219 AromaticContact CE1-ND1 3.6Å; F87-M222 HydrophobicContact CB-CG 4.38Å; F87-M222 HydrophobicContact CD1-CG 4.23Å; F87-M222 HydrophobicContact CD2-CB 4.12Å; F87-M222 HydrophobicContact CD2-CE 3.71Å; F87-M222 HydrophobicContact CD2-CG 3.6Å; F87-M222 HydrophobicContact CD2-SD 4.26Å; F87-M222 HydrophobicContact CE1-CB 4.49Å; F87-M222 HydrophobicContact CE1-CG 4.43Å; F87-M222 HydrophobicContact CE2-CB 3.79Å; F87-M222 HydrophobicContact CE2-CE 4.07Å; F87-M222 HydrophobicContact CE2-CG 3.82Å; F87-M222 HydrophobicContact CG-CG 3.8Å; F87-M222 HydrophobicContact CZ-CB 3.99Å; F87-M222 HydrophobicContact CZ-CG 4.23Å
88	R	98.8	Very high	98	Very high	114 Å²	114	34.5 Å²	34.5	43%	0.43	18%	0.18	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.8	142.6	170.3	-59.4	174.8	65.5	-166.3	5.6	109.1	P90 Y187 A188	R88-P90 VanDerWaalsContact O-CD 3.23Å; R88-P90 WeakPolarHBondContact O-CD 3.28Å; R88-Y187 HydrophobicContact CB-CD1 4.08Å; R88-Y187 HydrophobicContact CB-CE1 3.7Å; R88-Y187 WeakPolarHBondContact CD-O 3.39Å; R88-Y187 VanDerWaalsContact CZ-CZ 3.48Å; R88-Y187 VanDerWaalsContact NH2-CE2 3.27Å; R88-Y187 VanDerWaalsContact NH2-CZ 3.25Å; R88-Y187 PolarHBondContact NH2-OH 3.15Å; R88-A188 PolarHBondContact N-O 3.12Å; R88-A188 WeakPolarHBondContact O-CA 3.33Å; R88-A188 WeakPolarHBondContact O-CB 3.29Å
89	D	98.8	Very high	98.2	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	16%	0.162	C	C	.	.			trans	-81.4	108.9	176.7	-172.4	-29.4	0	0	0	110.5	F91 R92 G93 N96 L98 Y187	D89-F91 VanDerWaalsContact C-N 3.25Å; D89-F91 PolarHBondContact O-N 3.49Å; D89-F91 WeakPolarHBondContact OD1-CA 3.42Å; D89-F91 WeakPolarHBondContact OD1-CB 3.43Å; D89-F91 WeakPolarHBondContact OD1-CD2 3.4Å; D89-F91 PolarHBondContact OD1-N 2.86Å; D89-R92 HydrophobicContact CB-CB 4.45Å; D89-R92 PolarHBondContact OD1-N 3.32Å; D89-R92 VanDerWaalsContact OD2-CD 3.29Å; D89-R92 WeakPolarHBondContact OD2-CD 3.22Å; D89-R92 IonicContact OD2-NE 2.74Å; D89-R92 IonicContact OD2-NH1 3.89Å; D89-G93 WeakPolarHBondContact O-CA 3.33Å; D89-G93 PolarHBondContact O-N 2.86Å; D89-N96 HydrophobicContact CB-CB 3.91Å; D89-N96 PolarHBondContact N-O 2.91Å; D89-N96 VanDerWaalsContact N-O 3.11Å; D89-L98 HydrophobicContact CB-CD2 4.01Å; D89-L98 HydrophobicContact CB-CG 4.12Å; D89-Y187 WeakPolarHBondContact O-CE1 3.24Å
90	P	98.6	Very high	98.2	Very high	31 Å²	31	31.2 Å²	31.2	20%	0.201	16%	0.162	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.4	-13.5	-179.1	33.3	-34.6	0	0	0	113.1	R88 A184 Y187 I226	R88-P90 VanDerWaalsContact O-CD 3.23Å; R88-P90 WeakPolarHBondContact O-CD 3.28Å; P90-A184 HydrophobicContact CB-CB 3.78Å; P90-A184 HydrophobicContact CG-CB 3.91Å; P90-Y187 HydrophobicContact CB-CD1 3.81Å; P90-Y187 HydrophobicContact CB-CG 4.47Å; P90-I226 HydrophobicContact CG-CD1 4.38Å; P90-I226 HydrophobicContact CG-CG1 4.41Å
91	F	97.6	Very high	98.2	Very high	36 Å²	36	28.6 Å²	28.6	16%	0.158	15%	0.153	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.4	-32.2	-178.1	-49.5	-69.9	0	0	0	111.8	D89 L98 F225 I226 R229 V230	D89-F91 VanDerWaalsContact C-N 3.25Å; D89-F91 PolarHBondContact O-N 3.49Å; D89-F91 WeakPolarHBondContact OD1-CA 3.42Å; D89-F91 WeakPolarHBondContact OD1-CB 3.43Å; D89-F91 WeakPolarHBondContact OD1-CD2 3.4Å; D89-F91 PolarHBondContact OD1-N 2.86Å; F91-L98 HydrophobicContact CE2-CD1 4.43Å; F91-F225 HydrophobicContact CE2-CE1 4.33Å; F91-I226 HydrophobicContact CE2-CG1 4.35Å; F91-I226 HydrophobicContact CZ-CB 4.3Å; F91-I226 HydrophobicContact CZ-CG1 4.32Å; F91-I226 HydrophobicContact CZ-CG2 4.01Å; F91-R229 HydrophobicContact CD1-CB 4.43Å; F91-R229 HydrophobicContact CD2-CB 4.49Å; F91-R229 HydrophobicContact CE1-CB 3.63Å; F91-R229 HydrophobicContact CE2-CB 3.69Å; F91-R229 HydrophobicContact CE2-CG 3.98Å; F91-R229 HydrophobicContact CZ-CB 3.21Å; F91-R229 HydrophobicContact CZ-CG 4.02Å; F91-V230 HydrophobicContact CE1-CG2 3.97Å; F91-V230 HydrophobicContact CZ-CG2 4.44Å
92	R	96.7	Very high	98.2	Very high	53 Å²	53	29.3 Å²	29.3	20%	0.2	16%	0.156	C	C	.	.	T	Hydrogen-bonded Turn	trans	-106.1	-20.3	-179.3	-60	179	176.8	145.3	-7.9	113.6	Y19 T46 D89 N96	Y19-R92 HydrophobicContact CE1-CG 4.35Å; T46-R92 PolarHBondContact OG1-NH1 3.04Å; T46-R92 VanDerWaalsContact OG1-NH1 3.08Å; T46-R92 PolarHBondContact OG1-NH2 3Å; D89-R92 HydrophobicContact CB-CB 4.45Å; D89-R92 PolarHBondContact OD1-N 3.32Å; D89-R92 VanDerWaalsContact OD2-CD 3.29Å; D89-R92 WeakPolarHBondContact OD2-CD 3.22Å; D89-R92 IonicContact OD2-NE 2.74Å; D89-R92 IonicContact OD2-NH1 3.89Å; R92-N96 HydrophobicContact CB-CB 3.9Å; R92-N96 WeakPolarHBondContact CB-ND2 3.2Å
93	G	96.1	Very high	98.2	Very high	19 Å²	19	25.3 Å²	25.3	20%	0.196	14%	0.139	C	C	.	.			trans	63.9	-165.5	-179.2	0	0	0	0	0	113.9	D89 N96 Y187	D89-G93 WeakPolarHBondContact O-CA 3.33Å; D89-G93 PolarHBondContact O-N 2.86Å; G93-N96 WeakPolarHBondContact O-CB 3.35Å; G93-N96 PolarHBondContact O-N 3.18Å; G93-N96 PolarHBondContact O-ND2 3.45Å; G93-Y187 WeakPolarHBondContact CA-OH 3.27Å
94	G	95.7	Very high	98.2	Very high	58 Å²	58	25.8 Å²	25.8	60%	0.598	14%	0.139	S	C	*	.	T	Hydrogen-bonded Turn	trans	59.5	-136.6	174.9	0	0	0	0	0	113.9	N96 Y187	G94-N96 VanDerWaalsContact C-N 3.31Å; G94-Y187 PolarHBondContact N-OH 3.36Å
95	K	97.4	Very high	98.1	Very high	74 Å²	74	27 Å²	27	32%	0.322	14%	0.144	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.9	-4	179.9	-66.3	174.1	177.6	162.4	0	113.4	D25 I28 E52 K97	D25-K95 PolarHBondContact O-NZ 3.34Å; D25-K95 IonicContact OD1-NZ 3.63Å; D25-K95 PolarHBondContact OD1-NZ 2.85Å; I28-K95 HydrophobicContact CG1-CB 4.09Å; I28-K95 HydrophobicContact CG2-CB 4.47Å; I28-K95 VanDerWaalsContact CG2-O 3.24Å; I28-K95 WeakPolarHBondContact CG2-O 3.33Å; E52-K95 HydrophobicContact CB-CB 4.36Å; E52-K95 HydrophobicContact CG-CB 4.01Å; E52-K95 HydrophobicContact CG-CG 4.45Å; K95-K97 WeakPolarHBondContact O-CE 3.34Å
96	N	98.5	Very high	97.8	Very high	1 Å²	1	33 Å²	33	1%	0.005	17%	0.165	C	C	.	.			trans	-68.4	151.3	-175.8	-58.4	-54	0	0	0	112.3	Q23 Q29 D89 R92 G93 G94	Q23-N96 PolarHBondContact NE2-OD1 3.38Å; Q23-N96 PolarHBondContact OE1-ND2 3.16Å; Q23-N96 PolarHBondContact OE1-OD1 3.33Å; Q29-N96 WeakPolarHBondContact CA-OD1 3.29Å; Q29-N96 HydrophobicContact CB-CB 4.46Å; Q29-N96 WeakPolarHBondContact CB-OD1 3.42Å; Q29-N96 PolarHBondContact N-OD1 3.06Å; Q29-N96 WeakPolarHBondContact O-CA 3.36Å; Q29-N96 WeakPolarHBondContact O-CB 3.33Å; D89-N96 HydrophobicContact CB-CB 3.91Å; D89-N96 PolarHBondContact N-O 2.91Å; D89-N96 VanDerWaalsContact N-O 3.11Å; R92-N96 HydrophobicContact CB-CB 3.9Å; R92-N96 WeakPolarHBondContact CB-ND2 3.2Å; G93-N96 WeakPolarHBondContact O-CB 3.35Å; G93-N96 PolarHBondContact O-N 3.18Å; G93-N96 PolarHBondContact O-ND2 3.45Å; G94-N96 VanDerWaalsContact C-N 3.31Å
97	K	98.8	Very high	97.6	Very high	22 Å²	22	34 Å²	34	10%	0.096	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	147.7	-171.1	-54.9	-65.5	-179.3	177.9	0	112.6	Q29 V30 M31 E52 P53 M86 F87 K95 V99	Q29-K97 PolarHBondContact O-N 3.14Å; V30-K97 HydrophobicContact CG1-CB 4.34Å; V30-K97 HydrophobicContact CG2-CB 4.42Å; M31-K97 PolarHBondContact N-O 3.23Å; E52-K97 VanDerWaalsContact OE1-CE 3.3Å; E52-K97 WeakPolarHBondContact OE1-CE 3.44Å; E52-K97 IonicContact OE1-NZ 3.37Å; E52-K97 PolarHBondContact OE1-NZ 3.07Å; P53-K97 HydrophobicContact CG-CG 4.02Å; P53-K97 WeakPolarHBondContact O-CE 3.46Å; M86-K97 HydrophobicContact CG-CB 4.25Å; M86-K97 HydrophobicContact CG-CD 4.19Å; M86-K97 HydrophobicContact CG-CG 4.38Å; M86-K97 HydrophobicContact SD-CB 4.47Å; M86-K97 HydrophobicContact SD-CD 3.89Å; M86-K97 HydrophobicContact SD-CG 4.03Å; F87-K97 WeakPolarHBondContact O-CA 3.44Å; K95-K97 WeakPolarHBondContact O-CE 3.34Å; K97-V99 HydrophobicContact CB-CG2 4.38Å
98	L	98.9	Very high	97.4	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	134.6	157.8	-51.8	179.5	0	0	0	108.1	M31 M86 F87 D89 F91 M222 F225 I226	M31-L98 HydrophobicContact CB-CD2 3.81Å; M31-L98 HydrophobicContact CG-CD2 4.3Å; M31-L98 CarbonylContact O-C 3.51Å; M31-L98 WeakPolarHBondContact O-CA 3.49Å; M31-L98 HydrophobicContact SD-CD2 3.94Å; M86-L98 WeakPolarHBondContact CA-O 3.43Å; F87-L98 HydrophobicContact CB-CB 4.35Å; F87-L98 PolarHBondContact N-O 3.43Å; F87-L98 PolarHBondContact O-N 3.4Å; D89-L98 HydrophobicContact CB-CD2 4.01Å; D89-L98 HydrophobicContact CB-CG 4.12Å; F91-L98 HydrophobicContact CE2-CD1 4.43Å; L98-M222 HydrophobicContact CB-CE 3.87Å; L98-M222 HydrophobicContact CB-SD 3.83Å; L98-M222 HydrophobicContact CD1-SD 3.54Å; L98-M222 VanDerWaalsContact CD1-SD 3.54Å; L98-M222 HydrophobicContact CG-SD 4.33Å; L98-F225 HydrophobicContact CD1-CD1 4.11Å; L98-F225 HydrophobicContact CD1-CE1 4.17Å; L98-F225 HydrophobicContact CD2-CE1 4.11Å; L98-I226 HydrophobicContact CD1-CD1 4.44Å; L98-I226 HydrophobicContact CD1-CG1 4.18Å
99	V	98.9	Very high	97.3	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	109.5	-178.7	178.2	0	0	0	0	108.6	V30 M31 Y32 V33 P83 A85 M86 K97 C101	V30-V99 HydrophobicContact CG1-CB 4.28Å; V30-V99 HydrophobicContact CG1-CG2 3.41Å; V30-V99 VanDerWaalsContact CG1-CG2 3.41Å; M31-V99 PolarHBondContact O-N 3.05Å; Y32-V99 CarbonylContact C-O 3.53Å; Y32-V99 WeakPolarHBondContact CA-O 3.49Å; V33-V99 PolarHBondContact N-O 2.82Å; P83-V99 HydrophobicContact CB-CG1 3.61Å; P83-V99 HydrophobicContact CG-CG1 4.03Å; A85-V99 CarbonylContact O-C 3.41Å; A85-V99 WeakPolarHBondContact O-CA 3.44Å; M86-V99 HydrophobicContact CE-CG2 4.35Å; M86-V99 HydrophobicContact CG-CG2 4.18Å; K97-V99 HydrophobicContact CB-CG2 4.38Å; V99-C101 PolarHBondContact O-SG 3.43Å
100	L	98.9	Very high	97.3	Very high	2 Å²	2	40.7 Å²	40.7	1%	0.01	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.5	137.2	171.7	-172.4	63	0	0	0	109	V33 C84 A85 D218 W221 M222 Y352	V33-L100 HydrophobicContact CG1-CD1 4.41Å; V33-L100 CarbonylContact O-C 3.5Å; C84-L100 PolarHBondContact N-O 3.36Å; C84-L100 VanDerWaalsContact SG-C 3.59Å; C84-L100 PolarHBondContact SG-O 2.95Å; A85-L100 HydrophobicContact CB-CB 4.17Å; A85-L100 PolarHBondContact N-O 3.46Å; A85-L100 PolarHBondContact O-N 3.43Å; L100-D218 HydrophobicContact CD2-CB 3.99Å; L100-W221 HydrophobicContact CD1-CB 4.39Å; L100-W221 HydrophobicContact CD2-CB 4.36Å; L100-M222 HydrophobicContact CB-CE 4Å; L100-Y352 VanDerWaalsContact CD2-OH 3.31Å; L100-Y352 WeakPolarHBondContact CD2-OH 3.46Å
101	C	98.9	Very high	97.2	Very high	8 Å²	8	39.9 Å²	39.9	5%	0.054	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	142.8	-174.9	-62.1	0	0	0	0	112.3	Y32 V33 W34 L81 K82 V99	Y32-C101 WeakPolarHBondContact CD1-SG 3.4Å; V33-C101 PolarHBondContact O-N 2.84Å; W34-C101 HydrophobicContact CB-CB 4.41Å; L81-C101 HydrophobicContact CB-CB 3.96Å; L81-C101 HydrophobicContact CD2-CB 3.95Å; L81-C101 HydrophobicContact CG-CB 4.49Å; K82-C101 CarbonylContact O-C 3.57Å; K82-C101 VanDerWaalsContact O-CA 3.28Å; K82-C101 WeakPolarHBondContact O-CA 3.22Å; V99-C101 PolarHBondContact O-SG 3.43Å
102	E	98.6	Very high	97.1	Very high	14 Å²	14	44.2 Å²	44.2	7%	0.065	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	151.5	161.2	-74.2	-174.4	-122.8	0	0	111.2	L81 K82 C84 Y104 N114 R116	L81-E102 WeakPolarHBondContact CA-O 3.29Å; K82-E102 HydrophobicContact CB-CB 4.42Å; K82-E102 PolarHBondContact N-O 3.36Å; K82-E102 PolarHBondContact O-N 2.84Å; C84-E102 HydrophobicContact CB-CG 4.18Å; E102-Y104 HydrophobicContact CB-CD2 4.2Å; E102-Y104 HydrophobicContact CB-CE2 3.62Å; E102-Y104 PolarHBondContact OE2-OH 2.87Å; E102-N114 PolarHBondContact OE2-ND2 3.42Å; E102-N114 PolarHBondContact OE2-OD1 2.91Å; E102-R116 HydrophobicContact CG-CB 4.16Å; E102-R116 HydrophobicContact CG-CG 4.21Å; E102-R116 IonicContact OE1-CZ 2.8Å; E102-R116 IonicContact OE1-NH1 2.76Å; E102-R116 PolarHBondContact OE1-NH1 2.85Å
103	T	98.5	Very high	97.1	Very high	5 Å²	5	42.3 Å²	42.3	3%	0.031	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104	133.9	177.2	53.5	0	0	0	0	111.7	W34 F64 V79 Y80 L81 H111 N114	W34-T103 HydrophobicContact CB-CG2 4.17Å; W34-T103 HydrophobicContact CG-CG2 4.29Å; F64-T103 HydrophobicContact CE1-CG2 4.24Å; F64-T103 HydrophobicContact CZ-CG2 4.22Å; V79-T103 HydrophobicContact CG1-CG2 4.43Å; Y80-T103 CarbonylContact O-C 3.46Å; Y80-T103 WeakPolarHBondContact O-CA 3.46Å; L81-T103 HydrophobicContact CD2-CG2 4.2Å; T103-H111 WeakPolarHBondContact O-CB 3.3Å; T103-H111 PolarHBondContact O-N 3.39Å; T103-N114 WeakPolarHBondContact O-CB 3.28Å; T103-N114 PolarHBondContact O-ND2 3.41Å
104	Y	98.3	Very high	97.2	Very high	22 Å²	22	42 Å²	42	9%	0.086	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	141.8	-179.7	-73.1	-100.1	0	0	0	110.9	V79 Y80 K82 E102 K108 K109 P110	V79-Y104 WeakPolarHBondContact CG1-O 3.19Å; Y80-Y104 PolarHBondContact N-O 3.1Å; Y80-Y104 PolarHBondContact O-N 3.28Å; K82-Y104 HydrophobicContact CB-CD2 3.85Å; K82-Y104 HydrophobicContact CB-CE2 3.63Å; K82-Y104 HydrophobicContact CD-CD2 4.46Å; K82-Y104 HydrophobicContact CD-CE2 3.59Å; K82-Y104 HydrophobicContact CG-CE2 4.26Å; E102-Y104 HydrophobicContact CB-CD2 4.2Å; E102-Y104 HydrophobicContact CB-CE2 3.62Å; E102-Y104 PolarHBondContact OE2-OH 2.87Å; Y104-K108 VanDerWaalsContact CD1-O 3.3Å; Y104-K108 WeakPolarHBondContact CD1-O 3.08Å; Y104-K109 CarbonylContact C-O 3.5Å; Y104-K109 VanDerWaalsContact CA-O 3.28Å; Y104-K109 WeakPolarHBondContact CA-O 3.28Å; Y104-K109 VanDerWaalsContact CD1-C 3.44Å; Y104-K109 WeakPolarHBondContact CD1-O 3.43Å; Y104-P110 HydrophobicContact CD1-CG 4.36Å; Y104-P110 HydrophobicContact CE1-CB 4.38Å; Y104-P110 HydrophobicContact CE1-CG 3.87Å
105	N	96.5	Very high	97.3	Very high	44 Å²	44	41.6 Å²	41.6	24%	0.235	20%	0.202	C	C	.	.			trans	-66.6	171.8	177.7	-59.5	-34.9	0	0	0	112.1	Y80 D107 K108 K109 P110 H111	Y80-N105 WeakPolarHBondContact CD2-O 3.41Å; N105-D107 WeakPolarHBondContact CB-OD1 3.5Å; N105-D107 PolarHBondContact O-N 3.12Å; N105-D107 VanDerWaalsContact O-N 3.13Å; N105-K108 WeakPolarHBondContact O-CA 3.48Å; N105-K108 PolarHBondContact O-N 3.03Å; N105-K109 PolarHBondContact N-O 3.37Å; N105-P110 PolarHBondContact ND2-O 3.29Å; N105-H111 WeakPolarHBondContact OD1-CA 3.36Å; N105-H111 PolarHBondContact OD1-CD2 3.11Å
106	Y	92	Very high	97.4	Very high	138 Å²	138	39.3 Å²	39.3	54%	0.541	19%	0.191	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.6	-31.7	173.8	73.6	-87.4	0	0	0	113.3	N76 K108	N76-Y106 WeakPolarHBondContact ND2-CD1 3.49Å; N76-Y106 WeakPolarHBondContact ND2-CE1 3.37Å; N76-Y106 VanDerWaalsContact ND2-CG 3.29Å; Y106-K108 VanDerWaalsContact C-N 3.27Å; Y106-K108 PolarHBondContact O-N 3.14Å
107	D	94.2	Very high	97.4	Very high	60 Å²	60	43.3 Å²	43.3	32%	0.321	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85	9.2	178.1	78.6	-14.1	0	0	0	114.2	N105 K109	N105-D107 WeakPolarHBondContact CB-OD1 3.5Å; N105-D107 PolarHBondContact O-N 3.12Å; N105-D107 VanDerWaalsContact O-N 3.13Å; D107-K109 PolarHBondContact O-N 3.36Å; D107-K109 VanDerWaalsContact OD1-CB 3.32Å; D107-K109 WeakPolarHBondContact OD1-CB 3.44Å; D107-K109 WeakPolarHBondContact OD1-CG 3.48Å; D107-K109 PolarHBondContact OD1-N 3.29Å; D107-K109 VanDerWaalsContact OD2-CD 3.31Å; D107-K109 WeakPolarHBondContact OD2-CD 3.33Å; D107-K109 WeakPolarHBondContact OD2-CE 3.47Å; D107-K109 IonicContact OD2-NZ 3.97Å; D107-K109 PolarHBondContact OD2-NZ 3.38Å
108	K	94.6	Very high	97.3	Very high	102 Å²	102	46.2 Å²	46.2	44%	0.443	22%	0.223	S	C	.	.	S	Bend	trans	63.4	15.8	-179.5	-51.3	-61.7	-176.5	174.7	0	115	Y80 Y104 N105 Y106	Y80-K108 HydrophobicContact CD2-CD 3.92Å; Y80-K108 VanDerWaalsContact CD2-NZ 3.28Å; Y80-K108 HydrophobicContact CE2-CD 4.07Å; Y80-K108 HydrophobicContact CG-CD 4.4Å; Y80-K108 VanDerWaalsContact CG-NZ 3.25Å; Y104-K108 VanDerWaalsContact CD1-O 3.3Å; Y104-K108 WeakPolarHBondContact CD1-O 3.08Å; N105-K108 WeakPolarHBondContact O-CA 3.48Å; N105-K108 PolarHBondContact O-N 3.03Å; Y106-K108 VanDerWaalsContact C-N 3.27Å; Y106-K108 PolarHBondContact O-N 3.14Å
109	K	97.1	Very high	97.3	Very high	126 Å²	126	46.2 Å²	46.2	55%	0.548	22%	0.223	S	C	.	.	S	Bend	trans	-83.9	152.8	166.4	-62.7	-176.8	-167.6	126.4	0	111.1	Y104 N105 D107 H111	Y104-K109 CarbonylContact C-O 3.5Å; Y104-K109 VanDerWaalsContact CA-O 3.28Å; Y104-K109 WeakPolarHBondContact CA-O 3.28Å; Y104-K109 VanDerWaalsContact CD1-C 3.44Å; Y104-K109 WeakPolarHBondContact CD1-O 3.43Å; N105-K109 PolarHBondContact N-O 3.37Å; D107-K109 PolarHBondContact O-N 3.36Å; D107-K109 VanDerWaalsContact OD1-CB 3.32Å; D107-K109 WeakPolarHBondContact OD1-CB 3.44Å; D107-K109 WeakPolarHBondContact OD1-CG 3.48Å; D107-K109 PolarHBondContact OD1-N 3.29Å; D107-K109 VanDerWaalsContact OD2-CD 3.31Å; D107-K109 WeakPolarHBondContact OD2-CD 3.33Å; D107-K109 WeakPolarHBondContact OD2-CE 3.47Å; D107-K109 IonicContact OD2-NZ 3.97Å; D107-K109 PolarHBondContact OD2-NZ 3.38Å; K109-H111 PolarHBondContact O-N 3.2Å
110	P	97.8	Very high	97.3	Very high	39 Å²	39	48.6 Å²	48.6	25%	0.253	24%	0.236	S	C	.	.	B	Isolated β-bridge	trans	-53.1	131.9	173.9	-24	33.3	0	0	0	110.7	Y104 N105 N114 Y117	Y104-P110 HydrophobicContact CD1-CG 4.36Å; Y104-P110 HydrophobicContact CE1-CB 4.38Å; Y104-P110 HydrophobicContact CE1-CG 3.87Å; N105-P110 PolarHBondContact ND2-O 3.29Å; P110-N114 HydrophobicContact CB-CB 4.34Å; P110-Y117 HydrophobicContact CB-CD1 4.06Å; P110-Y117 HydrophobicContact CB-CD2 4.42Å; P110-Y117 HydrophobicContact CB-CG 3.92Å; P110-Y117 HydrophobicContact CG-CD1 3.56Å; P110-Y117 HydrophobicContact CG-CD2 3.63Å; P110-Y117 HydrophobicContact CG-CE1 3.76Å; P110-Y117 HydrophobicContact CG-CE2 3.83Å; P110-Y117 HydrophobicContact CG-CG 3.48Å; P110-Y117 VanDerWaalsContact CG-CG 3.48Å
111	H	97.4	Very high	97.3	Very high	15 Å²	15	52.1 Å²	52.1	7%	0.069	25%	0.254	C	S	.	.	P	Polyproline II helix	trans	-65.2	154	174.3	-177.7	-90.5	0	0	0	109.9	Q71 T103 N105 K109 S113 N114	Q71-H111 WeakPolarHBondContact CA-NE2 3.46Å; Q71-H111 PolarHBondContact O-CD2 2.84Å; Q71-H111 PolarHBondContact O-NE2 3.01Å; T103-H111 WeakPolarHBondContact O-CB 3.3Å; T103-H111 PolarHBondContact O-N 3.39Å; N105-H111 WeakPolarHBondContact OD1-CA 3.36Å; N105-H111 PolarHBondContact OD1-CD2 3.11Å; K109-H111 PolarHBondContact O-N 3.2Å; H111-S113 PolarHBondContact CE1-OG 2.9Å; H111-S113 PolarHBondContact ND1-N 3.14Å; H111-S113 VanDerWaalsContact ND1-N 3.11Å; H111-S113 PolarHBondContact ND1-OG 3.14Å; H111-S113 PolarHBondContact O-N 3.37Å; H111-N114 WeakPolarHBondContact O-CB 3.4Å; H111-N114 PolarHBondContact O-N 2.78Å
112	V	95.9	Very high	97.3	Very high	127 Å²	127	52.2 Å²	52.2	77%	0.77	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.2	-32.8	-176.5	65.1	0	0	0	0	113.1	N114	V112-N114 VanDerWaalsContact C-N 3.27Å; V112-N114 PolarHBondContact O-N 3.13Å
113	S	95.9	Very high	97.3	Very high	13 Å²	13	52 Å²	52	9%	0.091	25%	0.253	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.2	-2.4	174.6	72	0	0	0	0	114.2	Q71 H111 H115	Q71-S113 PolarHBondContact NE2-OG 2.7Å; Q71-S113 VanDerWaalsContact NE2-OG 3.07Å; H111-S113 PolarHBondContact CE1-OG 2.9Å; H111-S113 PolarHBondContact ND1-N 3.14Å; H111-S113 VanDerWaalsContact ND1-N 3.11Å; H111-S113 PolarHBondContact ND1-OG 3.14Å; H111-S113 PolarHBondContact O-N 3.37Å; S113-H115 VanDerWaalsContact C-N 3.33Å; S113-H115 PolarHBondContact O-N 2.8Å
114	N	98.1	Very high	97.3	Very high	11 Å²	11	56.5 Å²	56.5	6%	0.059	27%	0.274	C	S	.	.			trans	-83.6	75.3	178.5	-177.1	1.3	0	0	0	110.8	E102 T103 P110 H111 V112 R116 Y117	E102-N114 PolarHBondContact OE2-ND2 3.42Å; E102-N114 PolarHBondContact OE2-OD1 2.91Å; T103-N114 WeakPolarHBondContact O-CB 3.28Å; T103-N114 PolarHBondContact O-ND2 3.41Å; P110-N114 HydrophobicContact CB-CB 4.34Å; H111-N114 WeakPolarHBondContact O-CB 3.4Å; H111-N114 PolarHBondContact O-N 2.78Å; V112-N114 VanDerWaalsContact C-N 3.27Å; V112-N114 PolarHBondContact O-N 3.13Å; N114-R116 VanDerWaalsContact C-N 3.25Å; N114-R116 PolarHBondContact O-N 2.88Å; N114-R116 WeakPolarHBondContact OD1-CB 3.18Å; N114-R116 PolarHBondContact OD1-N 2.84Å; N114-Y117 PolarHBondContact OD1-N 3.24Å; N114-Y117 VanDerWaalsContact OD1-N 3.13Å
115	H	98.5	Very high	97.3	Very high	51 Å²	51	62.9 Å²	62.9	24%	0.236	30%	0.302	C	S	.	.	H	α-helix	trans	-70.9	-21.7	176.4	-55.7	144.2	0	0	0	113.2	S113 Y117 L118 C119 D350 M353	S113-H115 VanDerWaalsContact C-N 3.33Å; S113-H115 PolarHBondContact O-N 2.8Å; H115-Y117 VanDerWaalsContact C-N 3.28Å; H115-Y117 PolarHBondContact O-N 3.16Å; H115-L118 PolarHBondContact O-N 3.04Å; H115-C119 WeakPolarHBondContact O-CB 3.39Å; H115-C119 PolarHBondContact O-N 2.85Å; H115-D350 WeakPolarHBondContact CB-OD2 3.3Å; H115-D350 IonicContact CE1-OD2 3.18Å; H115-D350 IonicContact CG-OD2 3.54Å; H115-D350 IonicContact ND1-OD2 2.69Å; H115-D350 PolarHBondContact ND1-OD2 3.36Å; H115-M353 HydrophobicContact CB-CG 3.9Å; H115-M353 PolarHBondContact CE1-SD 2.84Å; H115-M353 PolarHBondContact ND1-SD 2.92Å; H115-M353 VanDerWaalsContact ND1-SD 3.42Å
116	R	98.7	Very high	97.4	Very high	25 Å²	25	60.8 Å²	60.8	9%	0.094	29%	0.291	C	S	.	.	H	α-helix	trans	-57.4	-42.1	175.8	-174	179	-171.2	-81.9	-0.4	111.6	C84 E102 N114 L118 C119 N120 V214 D218 Y352	C84-R116 VanDerWaalsContact CB-CZ 3.45Å; C84-R116 PolarHBondContact O-NH2 3.45Å; C84-R116 PolarHBondContact SG-NE 3.01Å; C84-R116 VanDerWaalsContact SG-NE 3.42Å; E102-R116 HydrophobicContact CG-CB 4.16Å; E102-R116 HydrophobicContact CG-CG 4.21Å; E102-R116 IonicContact OE1-CZ 2.8Å; E102-R116 IonicContact OE1-NH1 2.76Å; E102-R116 PolarHBondContact OE1-NH1 2.85Å; N114-R116 VanDerWaalsContact C-N 3.25Å; N114-R116 PolarHBondContact O-N 2.88Å; N114-R116 WeakPolarHBondContact OD1-CB 3.18Å; N114-R116 PolarHBondContact OD1-N 2.84Å; R116-L118 PolarHBondContact O-N 2.84Å; R116-C119 WeakPolarHBondContact O-CB 3.36Å; R116-C119 PolarHBondContact O-N 2.86Å; R116-N120 WeakPolarHBondContact O-CB 3.34Å; R116-N120 PolarHBondContact O-N 3.46Å; R116-V214 HydrophobicContact CG-CG2 3.93Å; R116-D218 IonicContact CZ-OD1 3.59Å; R116-D218 IonicContact CZ-OD2 2.92Å; R116-D218 IonicContact NE-OD1 3.95Å; R116-D218 PolarHBondContact NE-OD1 3.15Å; R116-D218 IonicContact NE-OD2 2.76Å; R116-D218 IonicContact NH2-OD1 2.96Å; R116-D218 IonicContact NH2-OD2 3.83Å; R116-D218 PolarHBondContact NH2-OD2 2.97Å; R116-Y352 HydrophobicContact CB-CD1 4.04Å; R116-Y352 HydrophobicContact CB-CD2 3.81Å; R116-Y352 HydrophobicContact CB-CE1 3.94Å; R116-Y352 HydrophobicContact CB-CE2 3.69Å; R116-Y352 HydrophobicContact CB-CG 3.98Å; R116-Y352 WeakPolarHBondContact CD-OH 3.41Å; R116-Y352 HydrophobicContact CG-CD1 3.97Å; R116-Y352 HydrophobicContact CG-CE1 3.55Å; R116-Y352 HydrophobicContact CG-CE2 4.12Å; R116-Y352 HydrophobicContact CG-CG 4.43Å
117	Y	98.5	Very high	97.7	Very high	86 Å²	86	59.7 Å²	59.7	34%	0.337	29%	0.289	S	S	.	.	H	α-helix	trans	-55.7	-52.6	-179.4	177.5	-98.8	0	0	0	112.2	P110 N114 H115 N120 L121	P110-Y117 HydrophobicContact CB-CD1 4.06Å; P110-Y117 HydrophobicContact CB-CD2 4.42Å; P110-Y117 HydrophobicContact CB-CG 3.92Å; P110-Y117 HydrophobicContact CG-CD1 3.56Å; P110-Y117 HydrophobicContact CG-CD2 3.63Å; P110-Y117 HydrophobicContact CG-CE1 3.76Å; P110-Y117 HydrophobicContact CG-CE2 3.83Å; P110-Y117 HydrophobicContact CG-CG 3.48Å; P110-Y117 VanDerWaalsContact CG-CG 3.48Å; N114-Y117 PolarHBondContact OD1-N 3.24Å; N114-Y117 VanDerWaalsContact OD1-N 3.13Å; H115-Y117 VanDerWaalsContact C-N 3.28Å; H115-Y117 PolarHBondContact O-N 3.16Å; Y117-N120 PolarHBondContact O-N 3.29Å; Y117-L121 HydrophobicContact CD1-CD1 4.18Å; Y117-L121 HydrophobicContact CE1-CD1 3.57Å; Y117-L121 HydrophobicContact CE1-CG 4.44Å; Y117-L121 WeakPolarHBondContact O-CG 3.45Å; Y117-L121 PolarHBondContact O-N 2.95Å
118	L	97.7	Very high	97.8	Very high	83 Å²	83	61.3 Å²	61.3	44%	0.435	31%	0.305	S	S	.	.	H	α-helix	trans	-67.5	-38.9	179	-67.7	179.5	0	0	0	111.9	H115 R116 N120 L121 V122	H115-L118 PolarHBondContact O-N 3.04Å; R116-L118 PolarHBondContact O-N 2.84Å; L118-N120 PolarHBondContact O-N 3.47Å; L118-L121 HydrophobicContact CD2-CD1 4.5Å; L118-L121 PolarHBondContact O-N 3.29Å; L118-V122 PolarHBondContact O-N 3.43Å
119	C	98.7	Very high	98	Very high	0 Å²	0	59.6 Å²	59.6	0%	0	30%	0.298	C	S	.	.	H	α-helix	trans	-56.9	-49.6	173.7	-179.4	0	0	0	0	111	H115 R116 L121 V122 M123 Y352 R356	H115-C119 WeakPolarHBondContact O-CB 3.39Å; H115-C119 PolarHBondContact O-N 2.85Å; R116-C119 WeakPolarHBondContact O-CB 3.36Å; R116-C119 PolarHBondContact O-N 2.86Å; C119-L121 VanDerWaalsContact C-N 3.32Å; C119-L121 PolarHBondContact O-N 3.48Å; C119-V122 PolarHBondContact O-N 3.34Å; C119-V122 VanDerWaalsContact O-N 3.15Å; C119-M123 VanDerWaalsContact O-CG 3.23Å; C119-M123 WeakPolarHBondContact O-CG 3.28Å; C119-M123 PolarHBondContact O-N 2.99Å; C119-Y352 HydrophobicContact CB-CD1 4.33Å; C119-Y352 PolarHBondContact SG-O 2.87Å; C119-R356 HydrophobicContact CB-CB 4.09Å
120	N	98.6	Very high	98.1	Very high	50 Å²	50	57.2 Å²	57.2	27%	0.267	29%	0.289	S	S	.	.	H	α-helix	trans	-60	-40.7	-179.1	-169.2	58.9	0	0	0	112.4	R116 Y117 L118 V122 M123 E124 V214	R116-N120 WeakPolarHBondContact O-CB 3.34Å; R116-N120 PolarHBondContact O-N 3.46Å; Y117-N120 PolarHBondContact O-N 3.29Å; L118-N120 PolarHBondContact O-N 3.47Å; N120-V122 PolarHBondContact O-N 3.49Å; N120-M123 PolarHBondContact O-N 3.28Å; N120-E124 PolarHBondContact O-N 3.37Å; N120-V214 HydrophobicContact CB-CG2 4.15Å; N120-V214 WeakPolarHBondContact OD1-CG1 3.33Å
121	L	98.5	Very high	98.1	Very high	75 Å²	75	55.5 Å²	55.5	39%	0.393	28%	0.278	S	S	.	.	H	α-helix	trans	-61.9	-41.5	175.8	-68.9	178.5	0	0	0	112.7	Y117 L118 C119 K125	Y117-L121 HydrophobicContact CD1-CD1 4.18Å; Y117-L121 HydrophobicContact CE1-CD1 3.57Å; Y117-L121 HydrophobicContact CE1-CG 4.44Å; Y117-L121 WeakPolarHBondContact O-CG 3.45Å; Y117-L121 PolarHBondContact O-N 2.95Å; L118-L121 HydrophobicContact CD2-CD1 4.5Å; L118-L121 PolarHBondContact O-N 3.29Å; C119-L121 VanDerWaalsContact C-N 3.32Å; C119-L121 PolarHBondContact O-N 3.48Å; L121-K125 WeakPolarHBondContact O-CG 3.37Å; L121-K125 PolarHBondContact O-N 2.97Å; L121-K125 VanDerWaalsContact O-N 3.16Å
122	V	98.7	Very high	98.2	Very high	11 Å²	11	59.4 Å²	59.4	7%	0.067	29%	0.292	C	S	.	.	H	α-helix	trans	-67	-43.2	176.4	168.7	0	0	0	0	110.9	L118 C119 N120 E124 K125 A126 R356 V359 E360 L364	L118-V122 PolarHBondContact O-N 3.43Å; C119-V122 PolarHBondContact O-N 3.34Å; C119-V122 VanDerWaalsContact O-N 3.15Å; N120-V122 PolarHBondContact O-N 3.49Å; V122-E124 PolarHBondContact O-N 3.2Å; V122-K125 PolarHBondContact O-N 3.15Å; V122-A126 WeakPolarHBondContact O-CB 3.31Å; V122-A126 PolarHBondContact O-N 3.07Å; V122-R356 HydrophobicContact CB-CG 4.03Å; V122-R356 HydrophobicContact CG1-CG 4.25Å; V122-R356 HydrophobicContact CG2-CG 3.82Å; V122-V359 HydrophobicContact CG1-CB 4.09Å; V122-V359 HydrophobicContact CG1-CG1 3.76Å; V122-E360 HydrophobicContact CG1-CB 4.21Å; V122-L364 HydrophobicContact CG1-CD1 4.01Å
123	M	98.6	Very high	98.4	Very high	9 Å²	9	53.4 Å²	53.4	4%	0.044	26%	0.256	C	S	.	.	H	α-helix	trans	-62.8	-40.1	178.8	-64.6	-61.6	176.4	0	0	112.1	C119 N120 A126 K127 P131 F133 G213 V214 T355 V359	C119-M123 VanDerWaalsContact O-CG 3.23Å; C119-M123 WeakPolarHBondContact O-CG 3.28Å; C119-M123 PolarHBondContact O-N 2.99Å; N120-M123 PolarHBondContact O-N 3.28Å; M123-A126 CarbonylContact O-C 3.6Å; M123-A126 PolarHBondContact O-N 3.36Å; M123-K127 PolarHBondContact O-N 3.4Å; M123-P131 HydrophobicContact SD-CG 3.98Å; M123-F133 HydrophobicContact CE-CE2 3.72Å; M123-F133 HydrophobicContact CE-CZ 3.77Å; M123-F133 HydrophobicContact SD-CE2 4.24Å; M123-G213 VanDerWaalsContact SD-CA 3.56Å; M123-V214 HydrophobicContact CG-CB 4.4Å; M123-T355 WeakPolarHBondContact CE-O 3.12Å; M123-V359 HydrophobicContact CE-CB 4.43Å; M123-V359 HydrophobicContact CE-CG2 3.89Å; M123-V359 HydrophobicContact SD-CB 4.34Å; M123-V359 HydrophobicContact SD-CG1 4.42Å; M123-V359 HydrophobicContact SD-CG2 3.82Å
124	E	98.6	Very high	98.5	Very high	100 Å²	100	53.6 Å²	53.6	47%	0.467	26%	0.26	S	S	.	.	H	α-helix	trans	-67.1	-37.9	174.5	-73.6	-59.1	134.2	0	0	112.5	N120 V122 A126 K127	N120-E124 PolarHBondContact O-N 3.37Å; V122-E124 PolarHBondContact O-N 3.2Å; E124-A126 VanDerWaalsContact C-N 3.31Å; E124-A126 PolarHBondContact O-N 3.26Å; E124-K127 WeakPolarHBondContact O-CB 3.4Å; E124-K127 PolarHBondContact O-N 2.87Å; E124-K127 IonicContact OE1-NZ 3.39Å; E124-K127 PolarHBondContact OE1-NZ 3.42Å; E124-K127 IonicContact OE2-NZ 2.68Å; E124-K127 PolarHBondContact OE2-NZ 3.03Å
125	K	98.6	Very high	98.5	Very high	155 Å²	155	53.1 Å²	53.1	67%	0.674	26%	0.257	S	S	*	.	H	α-helix	trans	-63.6	-36.3	173.8	-74.2	176.6	-177.8	-179.4	0	112.6	L121 V122 L364	L121-K125 WeakPolarHBondContact O-CG 3.37Å; L121-K125 PolarHBondContact O-N 2.97Å; L121-K125 VanDerWaalsContact O-N 3.16Å; V122-K125 PolarHBondContact O-N 3.15Å; K125-L364 HydrophobicContact CB-CD1 4.14Å; K125-L364 HydrophobicContact CB-CD2 4.38Å; K125-L364 HydrophobicContact CD-CD1 4.38Å
126	A	98.3	Very high	98.6	Very high	0 Å²	0	52.3 Å²	52.3	0%	0	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96.2	12.8	-178.2	0	0	0	0	0	113.8	V122 M123 E124 S128 H129 V359 C363 L364	V122-A126 WeakPolarHBondContact O-CB 3.31Å; V122-A126 PolarHBondContact O-N 3.07Å; M123-A126 CarbonylContact O-C 3.6Å; M123-A126 PolarHBondContact O-N 3.36Å; E124-A126 VanDerWaalsContact C-N 3.31Å; E124-A126 PolarHBondContact O-N 3.26Å; A126-S128 PolarHBondContact O-N 3.17Å; A126-S128 VanDerWaalsContact O-N 3.13Å; A126-H129 WeakPolarHBondContact O-CB 3.22Å; A126-H129 PolarHBondContact O-N 2.83Å; A126-V359 HydrophobicContact CB-CG1 3.27Å; A126-C363 HydrophobicContact CB-CB 4.12Å; A126-L364 HydrophobicContact CB-CD2 4.44Å
127	K	97.9	Very high	98.6	Very high	116 Å²	116	51.1 Å²	51.1	50%	0.504	25%	0.249	S	C	.	.	G	3₁₀ helix	trans	-56.1	-34.3	-172.7	-170.7	174.7	-159.1	149.6	0	114	M123 E124 H129 Q130	M123-K127 PolarHBondContact O-N 3.4Å; E124-K127 WeakPolarHBondContact O-CB 3.4Å; E124-K127 PolarHBondContact O-N 2.87Å; E124-K127 IonicContact OE1-NZ 3.39Å; E124-K127 PolarHBondContact OE1-NZ 3.42Å; E124-K127 IonicContact OE2-NZ 2.68Å; E124-K127 PolarHBondContact OE2-NZ 3.03Å; K127-H129 PolarHBondContact O-N 2.89Å; K127-Q130 PolarHBondContact O-N 3.16Å; K127-Q130 VanDerWaalsContact O-N 3.08Å
128	S	98.3	Very high	98.6	Very high	93 Å²	93	47.8 Å²	47.8	65%	0.65	24%	0.236	S	C	*	.	G	3₁₀ helix	trans	-61.4	-23.3	175.7	54.5	0	0	0	0	113.5	A126	A126-S128 PolarHBondContact O-N 3.17Å; A126-S128 VanDerWaalsContact O-N 3.13Å
129	H	98.5	Very high	98.6	Very high	66 Å²	66	43.8 Å²	43.8	31%	0.306	22%	0.216	S	C	.	.	G	3₁₀ helix	trans	-83	-12	176.9	-62.4	-81.1	0	0	0	113.5	A126 K127 T260 L261	A126-H129 WeakPolarHBondContact O-CB 3.22Å; A126-H129 PolarHBondContact O-N 2.83Å; K127-H129 PolarHBondContact O-N 2.89Å; H129-T260 HydrophobicContact CB-CG2 4.12Å; H129-T260 CarbonylContact O-C 3.57Å; H129-T260 WeakPolarHBondContact O-CA 3.15Å; H129-T260 WeakPolarHBondContact O-CB 3.35Å; H129-L261 PolarHBondContact O-N 3.45Å
130	Q	98.6	Very high	98.6	Very high	77 Å²	77	43.8 Å²	43.8	36%	0.36	22%	0.216	S	C	.	.			trans	43.8	62.4	-176.7	-61.4	179.3	9.7	0	0	113	K127 W132 L261 R264	K127-Q130 PolarHBondContact O-N 3.16Å; K127-Q130 VanDerWaalsContact O-N 3.08Å; Q130-W132 PolarHBondContact O-N 2.9Å; Q130-L261 HydrophobicContact CB-CB 4.48Å; Q130-R264 PolarHBondContact O-NH1 3.31Å; Q130-R264 PolarHBondContact O-NH2 2.88Å
131	P	98.8	Very high	98.6	Very high	3 Å²	3	41.4 Å²	41.4	2%	0.019	20%	0.203	C	C	.	.			trans	-67.9	123.4	-177	28.8	-34.4	0	0	0	110.8	M123 F133 E212 G213 Y258 S259 V359	M123-P131 HydrophobicContact SD-CG 3.98Å; P131-F133 HydrophobicContact CB-CE2 4Å; P131-F133 HydrophobicContact CB-CZ 4.08Å; P131-E212 WeakPolarHBondContact O-CA 3.4Å; P131-G213 PolarHBondContact O-N 3.43Å; P131-Y258 HydrophobicContact CB-CE2 3.85Å; P131-S259 CarbonylContact C-O 3.52Å; P131-S259 WeakPolarHBondContact CA-O 3.42Å; P131-V359 HydrophobicContact CB-CG2 3.75Å; P131-V359 HydrophobicContact CG-CG2 4.09Å
132	W	98.9	Very high	98.6	Very high	96 Å²	96	38.8 Å²	38.8	36%	0.364	19%	0.189	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	141.4	175.4	-72.5	2.8	0	0	0	110.9	Q130 P210 C211 E212 Y258 S259	Q130-W132 PolarHBondContact O-N 2.9Å; W132-P210 HydrophobicContact CE3-CB 4.27Å; W132-C211 CarbonylContact C-O 3.48Å; W132-C211 WeakPolarHBondContact CA-O 3.49Å; W132-E212 PolarHBondContact NE1-OE2 3.36Å; W132-Y258 WeakPolarHBondContact O-CA 3.22Å; W132-S259 PolarHBondContact N-O 3.01Å; W132-S259 PolarHBondContact O-N 2.91Å
133	F	98.9	Very high	98.4	Very high	2 Å²	2	40 Å²	40	1%	0.009	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	141.1	179.2	-54.5	-83.9	0	0	0	111.9	M123 P131 P210 C211 A216 T256 N257 Y258 T355 L358 V359	M123-F133 HydrophobicContact CE-CE2 3.72Å; M123-F133 HydrophobicContact CE-CZ 3.77Å; M123-F133 HydrophobicContact SD-CE2 4.24Å; P131-F133 HydrophobicContact CB-CE2 4Å; P131-F133 HydrophobicContact CB-CZ 4.08Å; F133-P210 CarbonylContact O-C 3.51Å; F133-P210 VanDerWaalsContact O-CA 3.32Å; F133-P210 WeakPolarHBondContact O-CA 3.37Å; F133-C211 PolarHBondContact N-O 3.42Å; F133-C211 PolarHBondContact O-N 3.2Å; F133-A216 HydrophobicContact CB-CB 3.74Å; F133-A216 HydrophobicContact CD2-CB 3.83Å; F133-A216 HydrophobicContact CG-CB 4.07Å; F133-T256 HydrophobicContact CD1-CG2 4.04Å; F133-N257 CarbonylContact C-O 3.12Å; F133-N257 WeakPolarHBondContact CA-O 3.11Å; F133-Y258 AromaticContact CD1-CD2 3.76Å; F133-Y258 HydrophobicContact CD1-CD2 3.76Å; F133-Y258 HydrophobicContact CD1-CG 4.42Å; F133-Y258 AromaticContact CE1-CD2 3.28Å; F133-Y258 HydrophobicContact CE1-CD2 3.28Å; F133-Y258 AromaticContact CE1-CE2 3.77Å; F133-Y258 HydrophobicContact CE1-CE2 3.77Å; F133-Y258 HydrophobicContact CE1-CG 4.08Å; F133-Y258 AromaticContact CZ-CD2 3.87Å; F133-Y258 HydrophobicContact CZ-CD2 3.87Å; F133-Y258 AromaticContact CZ-CE2 3.91Å; F133-Y258 HydrophobicContact CZ-CE2 3.91Å; F133-T355 HydrophobicContact CB-CG2 4.39Å; F133-T355 HydrophobicContact CD1-CG2 3.7Å; F133-T355 HydrophobicContact CD2-CG2 4.02Å; F133-T355 HydrophobicContact CE1-CG2 3.86Å; F133-T355 HydrophobicContact CE2-CG2 4.19Å; F133-T355 HydrophobicContact CG-CG2 3.76Å; F133-T355 HydrophobicContact CZ-CG2 4.1Å; F133-L358 HydrophobicContact CD1-CD1 4.37Å; F133-L358 HydrophobicContact CE1-CB 4.26Å; F133-L358 HydrophobicContact CE1-CD1 4.04Å; F133-V359 HydrophobicContact CE1-CG2 4.48Å; F133-V359 HydrophobicContact CE2-CG2 4.44Å; F133-V359 HydrophobicContact CZ-CG2 3.61Å
134	G	98.8	Very high	98.1	Very high	16 Å²	16	46.3 Å²	46.3	17%	0.165	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	124.4	161.4	0	0	0	0	0	109.1	V208 N257	G134-V208 CarbonylContact C-O 3.56Å; G134-V208 VanDerWaalsContact CA-O 3.27Å; G134-V208 WeakPolarHBondContact CA-O 3.31Å; G134-N257 PolarHBondContact N-O 3.01Å; G134-N257 WeakPolarHBondContact O-CA 3.34Å; G134-N257 VanDerWaalsContact O-CB 3.32Å; G134-N257 WeakPolarHBondContact O-CB 3.46Å; G134-N257 PolarHBondContact O-N 3.01Å; G134-N257 PolarHBondContact O-ND2 3.1Å
135	I	98.9	Very high	97.9	Very high	2 Å²	2	46.4 Å²	46.4	1%	0.01	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	124.8	-175.2	-52.7	172.2	0	0	0	109.6	Q207 V208 L220 A254 H255 T256 P351 T355	I135-Q207 CarbonylContact O-C 3.57Å; I135-Q207 WeakPolarHBondContact O-CA 3.36Å; I135-V208 PolarHBondContact N-O 2.97Å; I135-V208 PolarHBondContact O-N 2.88Å; I135-L220 HydrophobicContact CB-CD2 4.26Å; I135-L220 HydrophobicContact CD1-CD2 3.97Å; I135-L220 HydrophobicContact CG2-CD2 3.76Å; I135-A254 HydrophobicContact CG2-CB 4.22Å; I135-H255 WeakPolarHBondContact CA-O 3.32Å; I135-T256 HydrophobicContact CG1-CG2 4.17Å; I135-P351 HydrophobicContact CD1-CB 3.94Å; I135-T355 HydrophobicContact CD1-CG2 4.31Å
136	E	98.9	Very high	97.6	Very high	34 Å²	34	41 Å²	41	16%	0.159	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	96.5	177.9	-68.4	170.3	-157.9	0	0	108.8	E138 E205 Q207 A254 H255 N257	E136-E138 PolarHBondContact O-N 3.21Å; E136-E205 HydrophobicContact CB-CG 4.42Å; E136-E205 WeakPolarHBondContact CB-OE1 3.32Å; E136-E205 WeakPolarHBondContact CG-OE1 3.37Å; E136-Q207 HydrophobicContact CB-CG 4.37Å; E136-Q207 HydrophobicContact CG-CG 3.79Å; E136-A254 CarbonylContact O-C 3.27Å; E136-A254 WeakPolarHBondContact O-CA 3.39Å; E136-H255 HydrophobicContact CB-CB 4.05Å; E136-H255 HydrophobicContact CG-CB 4.43Å; E136-H255 PolarHBondContact N-O 3.2Å; E136-H255 PolarHBondContact O-N 3.03Å; E136-H255 WeakPolarHBondContact OE2-CB 3.27Å; E136-H255 IonicContact OE2-CG 3.91Å; E136-H255 IonicContact OE2-ND1 2.85Å; E136-H255 PolarHBondContact OE2-ND1 3.11Å; E136-N257 PolarHBondContact OE1-ND2 2.96Å
137	Q	98.9	Very high	97.5	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	104.4	-177.4	177.5	67.8	75.1	0	0	110.9	E205 F206 L220 S347	Q137-E205 VanDerWaalsContact O-CA 3.32Å; Q137-E205 WeakPolarHBondContact O-CA 3.26Å; Q137-F206 HydrophobicContact CB-CD1 4.18Å; Q137-F206 HydrophobicContact CB-CD2 4.21Å; Q137-F206 HydrophobicContact CB-CE1 3.75Å; Q137-F206 HydrophobicContact CB-CE2 3.78Å; Q137-F206 HydrophobicContact CB-CG 4.41Å; Q137-F206 HydrophobicContact CB-CZ 3.56Å; Q137-F206 HydrophobicContact CG-CD1 4.22Å; Q137-F206 HydrophobicContact CG-CE1 3.41Å; Q137-F206 VanDerWaalsContact CG-CE1 3.41Å; Q137-F206 HydrophobicContact CG-CE2 4.16Å; Q137-F206 HydrophobicContact CG-CZ 3.4Å; Q137-F206 VanDerWaalsContact CG-CZ 3.4Å; Q137-F206 PolarHBondContact N-O 2.81Å; Q137-F206 PolarHBondContact O-N 3.32Å; Q137-F206 VanDerWaalsContact O-N 3.08Å; Q137-L220 HydrophobicContact CB-CD1 3.88Å; Q137-L220 HydrophobicContact CG-CD1 4.24Å; Q137-S347 PolarHBondContact NE2-O 2.95Å; Q137-S347 PolarHBondContact OE1-O 3.06Å
138	E	98.8	Very high	97.4	Very high	15 Å²	15	37.8 Å²	37.8	7%	0.07	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	147.3	169	-61	175.9	-165.6	0	0	110.7	E136 E198 W204 E205 S252 G253 H255 S347	E136-E138 PolarHBondContact O-N 3.21Å; E138-E198 HydrophobicContact CG-CG 4.15Å; E138-W204 CarbonylContact C-O 3.5Å; E138-W204 WeakPolarHBondContact CA-O 3.39Å; E138-E205 HydrophobicContact CG-CB 4.28Å; E138-E205 HydrophobicContact CG-CG 4Å; E138-E205 WeakPolarHBondContact CG-OE2 3.34Å; E138-S252 WeakPolarHBondContact OE2-CA 3.07Å; E138-G253 WeakPolarHBondContact CB-O 3.42Å; E138-G253 PolarHBondContact N-O 2.93Å; E138-G253 VanDerWaalsContact N-O 3.11Å; E138-G253 PolarHBondContact OE2-N 3.34Å; E138-H255 IonicContact OE1-CE1 3.71Å; E138-H255 PolarHBondContact OE1-CE1 3.46Å; E138-H255 IonicContact OE1-NE2 3.39Å; E138-S347 VanDerWaalsContact O-CB 3.31Å; E138-S347 WeakPolarHBondContact O-CB 3.23Å
139	Y	98.8	Very high	97.3	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.5	155.7	178.1	62.1	-77.7	0	0	0	111.1	L141 Q203 W204 F206 L227 V238	Y139-L141 HydrophobicContact CD2-CD2 4.06Å; Y139-L141 HydrophobicContact CE2-CD2 3.77Å; Y139-L141 HydrophobicContact CE2-CG 4.3Å; Y139-Q203 WeakPolarHBondContact O-CA 3.45Å; Y139-Q203 VanDerWaalsContact O-CG 3.31Å; Y139-Q203 WeakPolarHBondContact O-CG 3.43Å; Y139-W204 HydrophobicContact CD1-CB 4.44Å; Y139-W204 WeakPolarHBondContact CD1-O 3.37Å; Y139-W204 HydrophobicContact CE1-CB 3.69Å; Y139-W204 WeakPolarHBondContact CE1-O 3.46Å; Y139-W204 HydrophobicContact CE2-CB 3.95Å; Y139-W204 VanDerWaalsContact CZ-CB 3.45Å; Y139-W204 PolarHBondContact N-O 2.86Å; Y139-W204 PolarHBondContact O-N 3.11Å; Y139-W204 WeakPolarHBondContact OH-CB 3.23Å; Y139-F206 HydrophobicContact CD1-CD1 4Å; Y139-F206 HydrophobicContact CD1-CE1 4.12Å; Y139-F206 AromaticContact CE1-CD1 3.61Å; Y139-F206 HydrophobicContact CE1-CD1 3.61Å; Y139-F206 HydrophobicContact CE1-CE1 4.12Å; Y139-L227 HydrophobicContact CD1-CD2 4Å; Y139-L227 HydrophobicContact CD2-CD1 4.2Å; Y139-L227 HydrophobicContact CD2-CD2 3.76Å; Y139-L227 HydrophobicContact CE1-CD2 4.22Å; Y139-L227 HydrophobicContact CE2-CD1 3.67Å; Y139-L227 HydrophobicContact CE2-CD2 3.92Å; Y139-L227 HydrophobicContact CE2-CG 4.47Å; Y139-L227 HydrophobicContact CG-CD2 3.77Å; Y139-V238 HydrophobicContact CD2-CG1 4.18Å
140	A	98.6	Very high	97.1	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	139.4	174.5	0	0	0	0	0	111.3	L142 M200 S239 P244	A140-L142 HydrophobicContact CB-CD2 4.37Å; A140-M200 HydrophobicContact CB-CE 3.76Å; A140-S239 PolarHBondContact N-O 2.75Å; A140-S239 PolarHBondContact O-N 3.12Å; A140-P244 HydrophobicContact CB-CB 3.98Å; A140-P244 HydrophobicContact CB-CG 3.75Å
141	L	98.6	Very high	97	Very high	0 Å²	0	33 Å²	33	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	128.3	170.9	-60.3	179.2	0	0	0	109.6	Y139 L149 I177 S202 V236 V238	Y139-L141 HydrophobicContact CD2-CD2 4.06Å; Y139-L141 HydrophobicContact CE2-CD2 3.77Å; Y139-L141 HydrophobicContact CE2-CG 4.3Å; L141-L149 HydrophobicContact CB-CB 3.84Å; L141-L149 HydrophobicContact CB-CD2 3.77Å; L141-L149 HydrophobicContact CB-CG 4.46Å; L141-L149 HydrophobicContact CD1-CD2 3.84Å; L141-L149 HydrophobicContact CG-CD2 4.45Å; L141-L149 WeakPolarHBondContact O-CB 3.25Å; L141-L149 PolarHBondContact O-N 2.98Å; L141-I177 HydrophobicContact CD1-CB 4.43Å; L141-I177 HydrophobicContact CD1-CD1 3.95Å; L141-I177 HydrophobicContact CD2-CD1 3.97Å; L141-I177 HydrophobicContact CD2-CG2 4.13Å; L141-S202 WeakPolarHBondContact CB-O 3.28Å; L141-S202 PolarHBondContact N-O 2.91Å; L141-V236 HydrophobicContact CB-CG1 3.96Å; L141-V236 HydrophobicContact CD2-CG1 3.97Å; L141-V236 HydrophobicContact CG-CG1 4.46Å; L141-V238 HydrophobicContact CD2-CG2 4.1Å
142	L	97.8	Very high	96.8	Very high	19 Å²	19	36 Å²	36	10%	0.099	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	144.9	179.6	-46.5	179	0	0	0	110	A140 Y147 P148 V236 I237	A140-L142 HydrophobicContact CB-CD2 4.37Å; L142-Y147 CarbonylContact C-O 3.56Å; L142-Y147 VanDerWaalsContact CA-O 3.31Å; L142-Y147 WeakPolarHBondContact CA-O 3.31Å; L142-P148 HydrophobicContact CD2-CB 4.33Å; L142-P148 HydrophobicContact CD2-CG 4.17Å; L142-V236 WeakPolarHBondContact O-CG1 3.4Å; L142-I237 HydrophobicContact CB-CB 4.11Å; L142-I237 HydrophobicContact CB-CG2 4.38Å; L142-I237 HydrophobicContact CD1-CG2 4.31Å; L142-I237 PolarHBondContact N-O 2.82Å; L142-I237 PolarHBondContact O-N 3.06Å
143	D	95	Very high	96.4	Very high	38 Å²	38	36.3 Å²	36.3	20%	0.203	20%	0.196	C	C	.	.			trans	-63.6	164.8	163.1	-80.6	-39.2	0	0	0	110.6	D145 G146 Y147 L149 K153	D143-D145 VanDerWaalsContact CB-OD1 3.25Å; D143-D145 WeakPolarHBondContact CB-OD1 3.49Å; D143-D145 PolarHBondContact O-N 3.04Å; D143-G146 WeakPolarHBondContact O-CA 3.47Å; D143-G146 PolarHBondContact O-N 3.37Å; D143-Y147 PolarHBondContact N-O 3.39Å; D143-L149 WeakPolarHBondContact OD1-CD1 3.41Å; D143-K153 WeakPolarHBondContact OD2-CE 3.32Å; D143-K153 IonicContact OD2-NZ 3.29Å; D143-K153 PolarHBondContact OD2-NZ 2.95Å
144	I	92.2	Very high	95.8	Very high	141 Å²	141	44.1 Å²	44.1	72%	0.723	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59	-18.9	179.6	60.7	171.2	0	0	0	114.4	G146 G235	I144-G146 VanDerWaalsContact C-N 3.26Å; I144-G235 VanDerWaalsContact CG2-O 3.29Å; I144-G235 WeakPolarHBondContact CG2-O 3.33Å
145	D	93.2	Very high	95.6	Very high	101 Å²	101	44.3 Å²	44.3	54%	0.54	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.7	0.7	174.9	61.7	7.8	0	0	0	113	D143 Y147 K153	D143-D145 VanDerWaalsContact CB-OD1 3.25Å; D143-D145 WeakPolarHBondContact CB-OD1 3.49Å; D143-D145 PolarHBondContact O-N 3.04Å; D145-Y147 VanDerWaalsContact C-N 3.28Å; D145-Y147 PolarHBondContact O-N 2.76Å; D145-Y147 VanDerWaalsContact OD1-CB 3.26Å; D145-Y147 WeakPolarHBondContact OD1-CB 3.34Å; D145-Y147 PolarHBondContact OD1-N 3.5Å; D145-K153 IonicContact OD1-NZ 2.6Å; D145-K153 PolarHBondContact OD1-NZ 3.28Å; D145-K153 IonicContact OD2-NZ 2.82Å; D145-K153 PolarHBondContact OD2-NZ 3.14Å
146	G	93.7	Very high	95.4	Very high	41 Å²	41	50.2 Å²	50.2	42%	0.423	27%	0.265	S	S	.	.	S	Bend	trans	82	-0.7	-178.1	0	0	0	0	0	114.2	D143 I144	D143-G146 WeakPolarHBondContact O-CA 3.47Å; D143-G146 PolarHBondContact O-N 3.37Å; I144-G146 VanDerWaalsContact C-N 3.26Å
147	Y	95.2	Very high	95.2	Very high	47 Å²	47	49.5 Å²	49.5	18%	0.184	26%	0.263	C	S	.	.	S	Bend	trans	-80.5	146.3	175.7	-153	-111.1	0	0	0	110.8	L142 D143 D145 L149 W151 P152 K153 G155 M245	L142-Y147 CarbonylContact C-O 3.56Å; L142-Y147 VanDerWaalsContact CA-O 3.31Å; L142-Y147 WeakPolarHBondContact CA-O 3.31Å; D143-Y147 PolarHBondContact N-O 3.39Å; D145-Y147 VanDerWaalsContact C-N 3.28Å; D145-Y147 PolarHBondContact O-N 2.76Å; D145-Y147 VanDerWaalsContact OD1-CB 3.26Å; D145-Y147 WeakPolarHBondContact OD1-CB 3.34Å; D145-Y147 PolarHBondContact OD1-N 3.5Å; Y147-L149 PolarHBondContact O-N 3.5Å; Y147-W151 HydrophobicContact CD1-CB 3.95Å; Y147-W151 HydrophobicContact CE1-CB 3.63Å; Y147-W151 HydrophobicContact CE1-CE3 4.36Å; Y147-P152 WeakPolarHBondContact CE1-O 3.45Å; Y147-K153 HydrophobicContact CD1-CD 4.42Å; Y147-G155 PolarHBondContact OH-O 2.76Å; Y147-M245 HydrophobicContact CE2-CE 4.19Å
148	P	96.3	Very high	95.1	Very high	3 Å²	3	53.7 Å²	53.7	2%	0.019	29%	0.291	C	S	.	.	B	Isolated β-bridge	trans	-53.9	134.9	178.2	-28.5	36.5	0	0	0	113	L142 Q150 W151 M245	L142-P148 HydrophobicContact CD2-CB 4.33Å; L142-P148 HydrophobicContact CD2-CG 4.17Å; P148-Q150 PolarHBondContact O-N 3.18Å; P148-W151 HydrophobicContact CB-CB 4.41Å; P148-W151 HydrophobicContact CB-CD2 3.62Å; P148-W151 HydrophobicContact CB-CE3 4.26Å; P148-W151 HydrophobicContact CB-CG 3.67Å; P148-W151 HydrophobicContact CB-CZ2 4.17Å; P148-W151 HydrophobicContact CG-CD2 4.05Å; P148-W151 HydrophobicContact CG-CE3 4.19Å; P148-W151 HydrophobicContact CG-CG 4.49Å; P148-W151 HydrophobicContact CG-CZ2 4.37Å; P148-W151 HydrophobicContact CG-CZ3 4.42Å; P148-W151 WeakPolarHBondContact O-CB 3.26Å; P148-W151 PolarHBondContact O-N 2.67Å; P148-W151 VanDerWaalsContact O-N 3.14Å; P148-M245 VanDerWaalsContact CD-CE 3.44Å; P148-M245 HydrophobicContact CG-CE 3.38Å
149	L	96.4	Very high	94.9	Very high	10 Å²	10	57.8 Å²	57.8	5%	0.052	32%	0.319	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54.2	129.3	-171.1	175.7	64.3	0	0	0	110.4	L141 D143 Y147 W151 S202 V236	L141-L149 HydrophobicContact CB-CB 3.84Å; L141-L149 HydrophobicContact CB-CD2 3.77Å; L141-L149 HydrophobicContact CB-CG 4.46Å; L141-L149 HydrophobicContact CD1-CD2 3.84Å; L141-L149 HydrophobicContact CG-CD2 4.45Å; L141-L149 WeakPolarHBondContact O-CB 3.25Å; L141-L149 PolarHBondContact O-N 2.98Å; D143-L149 WeakPolarHBondContact OD1-CD1 3.41Å; Y147-L149 PolarHBondContact O-N 3.5Å; L149-W151 PolarHBondContact O-N 3.13Å; L149-W151 VanDerWaalsContact O-N 3.1Å; L149-S202 PolarHBondContact O-OG 3.25Å; L149-V236 HydrophobicContact CD1-CG2 4Å; L149-V236 HydrophobicContact CD2-CG1 4.1Å; L149-V236 HydrophobicContact CD2-CG2 4.15Å
150	Q	94	Very high	94.8	Very high	117 Å²	117	59.9 Å²	59.9	55%	0.547	33%	0.329	S	S	.	.	T	Hydrogen-bonded Turn	trans	60.4	14.8	176.8	-62.5	173.7	41.4	0	0	115.6	P148 L173	P148-Q150 PolarHBondContact O-N 3.18Å; Q150-L173 HydrophobicContact CB-CB 4.49Å; Q150-L173 HydrophobicContact CB-CD1 4.15Å; Q150-L173 HydrophobicContact CB-CD2 4.41Å
151	W	96	Very high	94.7	Very high	7 Å²	7	62.7 Å²	62.7	3%	0.027	36%	0.357	C	S	.	.	S	Bend	trans	-73.3	152.4	166.9	-74.6	35.2	0	0	0	110.7	Y147 P148 L149 K153 F156 P157 M200 P201 M245 W249	Y147-W151 HydrophobicContact CD1-CB 3.95Å; Y147-W151 HydrophobicContact CE1-CB 3.63Å; Y147-W151 HydrophobicContact CE1-CE3 4.36Å; P148-W151 HydrophobicContact CB-CB 4.41Å; P148-W151 HydrophobicContact CB-CD2 3.62Å; P148-W151 HydrophobicContact CB-CE3 4.26Å; P148-W151 HydrophobicContact CB-CG 3.67Å; P148-W151 HydrophobicContact CB-CZ2 4.17Å; P148-W151 HydrophobicContact CG-CD2 4.05Å; P148-W151 HydrophobicContact CG-CE3 4.19Å; P148-W151 HydrophobicContact CG-CG 4.49Å; P148-W151 HydrophobicContact CG-CZ2 4.37Å; P148-W151 HydrophobicContact CG-CZ3 4.42Å; P148-W151 WeakPolarHBondContact O-CB 3.26Å; P148-W151 PolarHBondContact O-N 2.67Å; P148-W151 VanDerWaalsContact O-N 3.14Å; L149-W151 PolarHBondContact O-N 3.13Å; L149-W151 VanDerWaalsContact O-N 3.1Å; W151-K153 PolarHBondContact O-N 3.14Å; W151-K153 VanDerWaalsContact O-N 3.16Å; W151-F156 HydrophobicContact CE3-CD1 4.33Å; W151-F156 AromaticContact CZ3-CD1 3.75Å; W151-F156 HydrophobicContact CZ3-CD1 3.75Å; W151-F156 HydrophobicContact CZ3-CE1 4.28Å; W151-P157 VanDerWaalsContact CD2-CD 3.45Å; W151-P157 HydrophobicContact CD2-CG 3.79Å; W151-P157 HydrophobicContact CE3-CG 4.08Å; W151-P157 HydrophobicContact CG-CG 4.25Å; W151-P157 HydrophobicContact CH2-CG 4.36Å; W151-P157 HydrophobicContact CZ2-CG 4.11Å; W151-P157 HydrophobicContact CZ3-CG 4.36Å; W151-M200 HydrophobicContact CH2-CG 4.29Å; W151-M200 HydrophobicContact CH2-SD 4.35Å; W151-M200 HydrophobicContact CZ2-CG 3.78Å; W151-M200 HydrophobicContact CZ2-SD 4.12Å; W151-P201 HydrophobicContact CZ2-CG 3.62Å; W151-P201 PolarHBondContact NE1-O 3.45Å; W151-M245 HydrophobicContact CH2-CG 4.1Å; W151-M245 HydrophobicContact CZ3-CE 4.15Å; W151-M245 HydrophobicContact CZ3-CG 4.1Å; W151-W249 AromaticContact CH2-CD2 3.63Å; W151-W249 HydrophobicContact CH2-CD2 3.63Å; W151-W249 AromaticContact CH2-CE2 3.69Å; W151-W249 AromaticContact CH2-CE3 3.87Å; W151-W249 HydrophobicContact CH2-CE3 3.87Å; W151-W249 HydrophobicContact CH2-CG 4.1Å; W151-W249 HydrophobicContact CH2-CH2 4.27Å; W151-W249 HydrophobicContact CH2-CZ2 4.04Å; W151-W249 HydrophobicContact CH2-CZ3 4.18Å; W151-W249 HydrophobicContact CZ2-CD2 4.47Å; W151-W249 HydrophobicContact CZ2-CE3 4.31Å; W151-W249 HydrophobicContact CZ2-CZ3 4.47Å; W151-W249 HydrophobicContact CZ3-CD2 4.4Å; W151-W249 HydrophobicContact CZ3-CZ2 4.19Å
152	P	94.2	Very high	94.6	Very high	67 Å²	67	65.6 Å²	65.6	44%	0.435	38%	0.376	S	S	.	.	P	Polyproline II helix	trans	-55.3	122.5	171.2	-22	33.2	0	0	0	110	Y147 N154 G155	Y147-P152 WeakPolarHBondContact CE1-O 3.45Å; P152-N154 PolarHBondContact O-N 3.07Å; P152-G155 CarbonylContact O-C 3.56Å; P152-G155 PolarHBondContact O-N 3.07Å
153	K	91.1	Very high	94.6	Very high	102 Å²	102	65 Å²	65	44%	0.443	37%	0.373	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60	128.6	-179.2	-63.7	-63.6	178.7	-179.9	0	109.9	D143 D145 Y147 W151 G155	D143-K153 WeakPolarHBondContact OD2-CE 3.32Å; D143-K153 IonicContact OD2-NZ 3.29Å; D143-K153 PolarHBondContact OD2-NZ 2.95Å; D145-K153 IonicContact OD1-NZ 2.6Å; D145-K153 PolarHBondContact OD1-NZ 3.28Å; D145-K153 IonicContact OD2-NZ 2.82Å; D145-K153 PolarHBondContact OD2-NZ 3.14Å; Y147-K153 HydrophobicContact CD1-CD 4.42Å; W151-K153 PolarHBondContact O-N 3.14Å; W151-K153 VanDerWaalsContact O-N 3.16Å; K153-G155 PolarHBondContact O-N 3.06Å
154	N	86.8	Confident	94.8	Very high	167 Å²	167	68.2 Å²	68.2	89%	0.893	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	61.2	24.8	-172.9	-51.1	-48	0	0	0	114.8	P152	P152-N154 PolarHBondContact O-N 3.07Å
155	G	93.2	Very high	95.1	Very high	19 Å²	19	65.1 Å²	65.1	20%	0.196	37%	0.373	C	S	.	.	S	Bend	trans	-151.8	177.7	-179.7	0	0	0	0	0	112.9	Y147 P152 K153	Y147-G155 PolarHBondContact OH-O 2.76Å; P152-G155 CarbonylContact O-C 3.56Å; P152-G155 PolarHBondContact O-N 3.07Å; K153-G155 PolarHBondContact O-N 3.06Å
156	F	95.5	Very high	95.3	Very high	126 Å²	126	61 Å²	61	55%	0.553	35%	0.352	S	S	*	.			trans	-112.8	146.2	-176.5	-62.5	-83.2	0	0	0	110.7	W151 M245 W249	W151-F156 HydrophobicContact CE3-CD1 4.33Å; W151-F156 AromaticContact CZ3-CD1 3.75Å; W151-F156 HydrophobicContact CZ3-CD1 3.75Å; W151-F156 HydrophobicContact CZ3-CE1 4.28Å; F156-M245 HydrophobicContact CE1-SD 4.3Å; F156-W249 HydrophobicContact CB-CZ2 4.03Å; F156-W249 AromaticContact CD1-CE2 3.92Å; F156-W249 AromaticContact CD1-CZ2 3.79Å; F156-W249 HydrophobicContact CD1-CZ2 3.79Å; F156-W249 AromaticContact CD1-NE1 3.55Å; F156-W249 AromaticContact CE1-NE1 3.72Å; F156-W249 HydrophobicContact CG-CZ2 4.28Å
157	P	95.7	Very high	95.4	Very high	19 Å²	19	64.7 Å²	64.7	12%	0.123	37%	0.366	C	S	.	.	P	Polyproline II helix	trans	-67.2	171.8	164.7	31.7	-33.6	0	0	0	109.9	W151 P201 W249	W151-P157 VanDerWaalsContact CD2-CD 3.45Å; W151-P157 HydrophobicContact CD2-CG 3.79Å; W151-P157 HydrophobicContact CE3-CG 4.08Å; W151-P157 HydrophobicContact CG-CG 4.25Å; W151-P157 HydrophobicContact CH2-CG 4.36Å; W151-P157 HydrophobicContact CZ2-CG 4.11Å; W151-P157 HydrophobicContact CZ3-CG 4.36Å; P157-P201 HydrophobicContact CB-CG 4.26Å; P157-P201 HydrophobicContact CG-CB 4.41Å; P157-P201 HydrophobicContact CG-CG 3.47Å; P157-P201 VanDerWaalsContact CG-CG 3.47Å; P157-W249 HydrophobicContact CG-CH2 3.83Å; P157-W249 HydrophobicContact CG-CZ3 4.29Å
158	P	95.4	Very high	95.4	Very high	89 Å²	89	64.4 Å²	64.4	58%	0.578	38%	0.377	S	S	*	.	S	Bend	trans	-51.7	157.9	170.3	-26.4	34.9	0	0	0	112.7	Y163	P158-Y163 WeakPolarHBondContact CD-OH 3.21Å; P158-Y163 WeakPolarHBondContact O-CE2 3.49Å; P158-Y163 PolarHBondContact O-OH 3.14Å
159	P	96.1	Very high	95.2	Very high	101 Å²	101	69.5 Å²	69.5	66%	0.656	42%	0.42	S	S	*	.	P	Polyproline II helix	trans	-54.1	155	-180	-26.8	35.2	0	0	0	114.1	P162 Y163	P159-P162 WeakPolarHBondContact O-CD 3.43Å; P159-Y163 WeakPolarHBondContact O-CE2 3.41Å
160	Q	96.8	Very high	94.8	Very high	44 Å²	44	71.7 Å²	71.7	21%	0.206	45%	0.445	C	S	.	.	S	Bend	trans	-55.2	148.9	177	-58.3	-170	120.2	0	0	112.4	V199 N248 W249 N250	Q160-V199 HydrophobicContact CB-CG1 3.97Å; Q160-V199 HydrophobicContact CG-CG1 4.36Å; Q160-N248 PolarHBondContact NE2-O 3.14Å; Q160-W249 HydrophobicContact CG-CD2 4.47Å; Q160-W249 HydrophobicContact CG-CE3 3.39Å; Q160-W249 HydrophobicContact CG-CZ3 3.51Å; Q160-N250 PolarHBondContact NE2-OD1 2.86Å; Q160-N250 PolarHBondContact OE1-OD1 3.41Å
161	G	95.6	Very high	94.9	Very high	58 Å²	58	70.9 Å²	70.9	60%	0.598	44%	0.439	S	S	*	.	S	Bend	trans	142.7	-57.5	-176	0	0	0	0	0	113.3	Y163	G161-Y163 VanDerWaalsContact C-N 3.28Å; G161-Y163 PolarHBondContact O-N 3.19Å
162	P	97	Very high	94.9	Very high	61 Å²	61	71.2 Å²	71.2	40%	0.396	44%	0.444	S	S	.	.	S	Bend	trans	-81.8	1.2	-175.4	32.8	-36.2	0	0	0	114.7	P159 S166	P159-P162 WeakPolarHBondContact O-CD 3.43Å; P162-S166 WeakPolarHBondContact O-CB 3.42Å
163	Y	97.9	Very high	95.1	Very high	8 Å²	8	68.6 Å²	68.6	3%	0.031	43%	0.426	C	S	.	.			trans	-97	-39.1	-169.9	-49.3	-63.4	0	0	0	113.7	P158 P159 G161 C165 S166 E198 P201	P158-Y163 WeakPolarHBondContact CD-OH 3.21Å; P158-Y163 WeakPolarHBondContact O-CE2 3.49Å; P158-Y163 PolarHBondContact O-OH 3.14Å; P159-Y163 WeakPolarHBondContact O-CE2 3.41Å; G161-Y163 VanDerWaalsContact C-N 3.28Å; G161-Y163 PolarHBondContact O-N 3.19Å; Y163-C165 PolarHBondContact O-N 2.95Å; Y163-S166 WeakPolarHBondContact O-CB 3.31Å; Y163-S166 PolarHBondContact O-N 3.33Å; Y163-S166 PolarHBondContact O-OG 3.16Å; Y163-E198 CarbonylContact C-O 3.29Å; Y163-P201 HydrophobicContact CD1-CB 3.75Å; Y163-P201 HydrophobicContact CD1-CG 4.31Å; Y163-P201 HydrophobicContact CD2-CB 4.17Å; Y163-P201 HydrophobicContact CD2-CG 3.94Å; Y163-P201 HydrophobicContact CE1-CB 3.88Å; Y163-P201 HydrophobicContact CE1-CG 4.17Å; Y163-P201 HydrophobicContact CE2-CB 4.28Å; Y163-P201 HydrophobicContact CE2-CG 3.77Å; Y163-P201 HydrophobicContact CG-CB 3.91Å; Y163-P201 HydrophobicContact CG-CG 4.21Å
164	Y	98.2	Very high	95.3	Very high	104 Å²	104	64.2 Å²	64.2	41%	0.408	41%	0.409	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.7	124.8	179.6	-178.4	-105.7	0	0	0	110.7	S166 A197 E198 V199	Y164-S166 PolarHBondContact O-N 3.2Å; Y164-A197 WeakPolarHBondContact CD2-O 3.44Å; Y164-E198 WeakPolarHBondContact CA-O 3.48Å; Y164-E198 PolarHBondContact N-O 2.64Å; Y164-V199 HydrophobicContact CD2-CG2 4.01Å; Y164-V199 HydrophobicContact CG-CG2 4.39Å
165	C	98.2	Very high	95.9	Very high	77 Å²	77	60.1 Å²	60.1	52%	0.52	38%	0.381	S	S	.	.	T	Hydrogen-bonded Turn	trans	51	27.5	-176.7	-66.4	0	0	0	0	114.6	Y163 A197	Y163-C165 PolarHBondContact O-N 2.95Å; C165-A197 PolarHBondContact N-O 3.3Å
166	S	97.3	Very high	96	Very high	14 Å²	14	64.6 Å²	64.6	10%	0.098	40%	0.401	C	S	.	.			trans	-74.2	163.9	-173.9	66.5	0	0	0	0	113.7	P162 Y163 Y164 K171 A172 R175	P162-S166 WeakPolarHBondContact O-CB 3.42Å; Y163-S166 WeakPolarHBondContact O-CB 3.31Å; Y163-S166 PolarHBondContact O-N 3.33Å; Y163-S166 PolarHBondContact O-OG 3.16Å; Y164-S166 PolarHBondContact O-N 3.2Å; S166-K171 WeakPolarHBondContact OG-CB 3.43Å; S166-A172 PolarHBondContact OG-N 3.33Å; S166-R175 PolarHBondContact O-NH2 3.45Å
167	V	97.6	Very high	96.2	Very high	119 Å²	119	58.8 Å²	58.8	72%	0.721	38%	0.375	S	S	*	.			trans	-132.8	149.5	168.1	63.9	0	0	0	0	109.2
168	G	95	Very high	96.3	Very high	41 Å²	41	58.1 Å²	58.1	42%	0.423	37%	0.371	S	S	.	.	S	Bend	trans	103.9	152.8	177.4	0	0	0	0	0	114.2	K171 A172	G168-K171 PolarHBondContact O-N 3.14Å; G168-A172 PolarHBondContact O-N 2.85Å
169	A	91.8	Very high	96.5	Very high	110 Å²	110	58.7 Å²	58.7	91%	0.909	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.1	143.2	175.1	0	0	0	0	0	110.8	K171	A169-K171 VanDerWaalsContact C-N 3.27Å; A169-K171 PolarHBondContact O-N 3.34Å
170	G	88.5	Confident	96.6	Very high	56 Å²	56	55.4 Å²	55.4	58%	0.577	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	80.3	-3.3	-176.6	0	0	0	0	0	115.4
171	K	95.4	Very high	96.7	Very high	100 Å²	100	53.4 Å²	53.4	44%	0.435	34%	0.338	S	S	.	.	T	Hydrogen-bonded Turn	trans	-120.9	-57	174.3	-58.6	177.2	-174.9	174.1	0	111.9	S166 G168 A169 L173	S166-K171 WeakPolarHBondContact OG-CB 3.43Å; G168-K171 PolarHBondContact O-N 3.14Å; A169-K171 VanDerWaalsContact C-N 3.27Å; A169-K171 PolarHBondContact O-N 3.34Å; K171-L173 PolarHBondContact O-N 2.75Å
172	A	96.7	Very high	96.8	Very high	14 Å²	14	53.8 Å²	53.8	12%	0.116	32%	0.322	C	S	.	.	S	Bend	trans	-91.3	78.4	-179.2	0	0	0	0	0	111.1	S166 G168 W204	S166-A172 PolarHBondContact OG-N 3.33Å; G168-A172 PolarHBondContact O-N 2.85Å; A172-W204 HydrophobicContact CB-CH2 4.2Å; A172-W204 HydrophobicContact CB-CZ2 4.46Å
173	L	96.6	Very high	96.9	Very high	12 Å²	12	59.5 Å²	59.5	6%	0.063	34%	0.336	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80	123.1	-171.9	-52	-177.8	0	0	0	111.2	Q150 K171 P201 S202 W204	Q150-L173 HydrophobicContact CB-CB 4.49Å; Q150-L173 HydrophobicContact CB-CD1 4.15Å; Q150-L173 HydrophobicContact CB-CD2 4.41Å; K171-L173 PolarHBondContact O-N 2.75Å; L173-P201 HydrophobicContact CD1-CB 4.09Å; L173-S202 WeakPolarHBondContact CB-OG 3.19Å; L173-S202 WeakPolarHBondContact CD1-OG 3.37Å; L173-W204 WeakPolarHBondContact O-CZ2 3.4Å; L173-W204 PolarHBondContact O-NE1 3.19Å
174	G	96.6	Very high	97	Very high	9 Å²	9	59.7 Å²	59.7	9%	0.093	34%	0.339	C	S	.	.	T	Hydrogen-bonded Turn	trans	82.7	21.3	175	0	0	0	0	0	116	D176 I177 P178	G174-D176 PolarHBondContact O-N 3.13Å; G174-I177 PolarHBondContact O-N 2.81Å; G174-P178 VanDerWaalsContact O-CD 3.22Å; G174-P178 WeakPolarHBondContact O-CD 3.49Å
175	R	98.1	Very high	97	Very high	82 Å²	82	54.8 Å²	54.8	31%	0.309	32%	0.32	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52	-28.2	-176.4	-175.9	-179.4	-60	-81.9	1.1	115	S166 I177 P178 E179 W204	S166-R175 PolarHBondContact O-NH2 3.45Å; R175-I177 PolarHBondContact O-N 2.92Å; R175-P178 WeakPolarHBondContact O-CD 3.39Å; R175-P178 VanDerWaalsContact O-CG 3.22Å; R175-P178 WeakPolarHBondContact O-CG 3.37Å; R175-E179 HydrophobicContact CG-CG 3.87Å; R175-E179 WeakPolarHBondContact O-CG 3.39Å; R175-E179 PolarHBondContact O-N 2.88Å; R175-E179 VanDerWaalsContact O-N 3.16Å; R175-W204 HydrophobicContact CB-CH2 3.76Å; R175-W204 HydrophobicContact CB-CZ2 4.05Å; R175-W204 HydrophobicContact CG-CH2 3.99Å
176	D	97.3	Very high	97	Very high	112 Å²	112	56 Å²	56	60%	0.599	32%	0.319	S	S	*	.	H	α-helix	trans	-57.5	-32.2	179	-56.3	-56.8	0	0	0	112.4	G174 A180 F234	G174-D176 PolarHBondContact O-N 3.13Å; D176-A180 VanDerWaalsContact O-CB 3.22Å; D176-A180 WeakPolarHBondContact O-CB 3.47Å; D176-A180 PolarHBondContact O-N 3.39Å; D176-F234 HydrophobicContact CB-CE1 3.82Å; D176-F234 HydrophobicContact CB-CZ 4.03Å
177	I	98.3	Very high	97.1	Very high	4 Å²	4	58.7 Å²	58.7	2%	0.021	33%	0.327	C	S	.	.	H	α-helix	trans	-68.9	-57	179.1	-66.4	165.5	0	0	0	112.5	L141 G174 R175 E179 A180 L181 L227 V230 F234 V236	L141-I177 HydrophobicContact CD1-CB 4.43Å; L141-I177 HydrophobicContact CD1-CD1 3.95Å; L141-I177 HydrophobicContact CD2-CD1 3.97Å; L141-I177 HydrophobicContact CD2-CG2 4.13Å; G174-I177 PolarHBondContact O-N 2.81Å; R175-I177 PolarHBondContact O-N 2.92Å; I177-E179 VanDerWaalsContact C-N 3.29Å; I177-E179 PolarHBondContact O-N 3.32Å; I177-A180 PolarHBondContact O-N 2.61Å; I177-L181 WeakPolarHBondContact O-CB 3.49Å; I177-L181 PolarHBondContact O-N 3.1Å; I177-L227 HydrophobicContact CG2-CD1 3.91Å; I177-V230 HydrophobicContact CG2-CG1 4.2Å; I177-F234 HydrophobicContact CD1-CB 4.25Å; I177-F234 HydrophobicContact CG1-CB 4.19Å; I177-F234 HydrophobicContact CG1-CD2 3.73Å; I177-F234 HydrophobicContact CG1-CE2 4.33Å; I177-F234 HydrophobicContact CG1-CG 3.99Å; I177-V236 HydrophobicContact CD1-CB 3.68Å; I177-V236 HydrophobicContact CD1-CG1 3.68Å; I177-V236 HydrophobicContact CD1-CG2 3.8Å
178	P	98.4	Very high	97.2	Very high	6 Å²	6	53.1 Å²	53.1	4%	0.039	29%	0.294	C	S	.	.	H	α-helix	trans	-61	-34.8	177.1	20.8	-32	0	0	0	112.7	G174 R175 Y182 W204	G174-P178 VanDerWaalsContact O-CD 3.22Å; G174-P178 WeakPolarHBondContact O-CD 3.49Å; R175-P178 WeakPolarHBondContact O-CD 3.39Å; R175-P178 VanDerWaalsContact O-CG 3.22Å; R175-P178 WeakPolarHBondContact O-CG 3.37Å; P178-Y182 WeakPolarHBondContact O-CB 3.32Å; P178-Y182 PolarHBondContact O-N 2.86Å; P178-W204 HydrophobicContact CB-CD2 4.36Å; P178-W204 HydrophobicContact CB-CE3 4.04Å; P178-W204 HydrophobicContact CB-CZ3 4.48Å; P178-W204 HydrophobicContact CG-CD2 3.67Å; P178-W204 HydrophobicContact CG-CE3 3.53Å; P178-W204 HydrophobicContact CG-CG 4.26Å; P178-W204 HydrophobicContact CG-CH2 4.05Å; P178-W204 HydrophobicContact CG-CZ2 4.18Å; P178-W204 HydrophobicContact CG-CZ3 3.73Å
179	E	98.6	Very high	97.3	Very high	100 Å²	100	53.4 Å²	53.4	47%	0.467	30%	0.297	S	S	.	.	H	α-helix	trans	-64.6	-45.9	175	-70.9	-71.5	170.1	0	0	111.9	R175 I177 Y182 R183	R175-E179 HydrophobicContact CG-CG 3.87Å; R175-E179 WeakPolarHBondContact O-CG 3.39Å; R175-E179 PolarHBondContact O-N 2.88Å; R175-E179 VanDerWaalsContact O-N 3.16Å; I177-E179 VanDerWaalsContact C-N 3.29Å; I177-E179 PolarHBondContact O-N 3.32Å; E179-Y182 PolarHBondContact O-N 2.89Å; E179-R183 WeakPolarHBondContact O-CG 3.44Å; E179-R183 PolarHBondContact O-N 2.95Å
180	A	98.7	Very high	97.7	Very high	33 Å²	33	48.5 Å²	48.5	27%	0.273	26%	0.256	S	S	.	.	H	α-helix	trans	-65.1	-43.8	176.2	0	0	0	0	0	111.9	D176 I177 Y182 R183 A184 V230 F234	D176-A180 VanDerWaalsContact O-CB 3.22Å; D176-A180 WeakPolarHBondContact O-CB 3.47Å; D176-A180 PolarHBondContact O-N 3.39Å; I177-A180 PolarHBondContact O-N 2.61Å; A180-Y182 VanDerWaalsContact C-N 3.32Å; A180-Y182 PolarHBondContact O-N 3.18Å; A180-R183 PolarHBondContact O-N 3.42Å; A180-A184 VanDerWaalsContact O-CB 3.27Å; A180-A184 WeakPolarHBondContact O-CB 3.36Å; A180-A184 PolarHBondContact O-N 2.74Å; A180-V230 HydrophobicContact CB-CG1 3.67Å; A180-F234 HydrophobicContact CB-CE2 4.12Å; A180-F234 HydrophobicContact CB-CZ 4.46Å
181	L	98.8	Very high	98.2	Very high	1 Å²	1	50.6 Å²	50.6	1%	0.005	25%	0.249	C	C	.	.	H	α-helix	trans	-54.6	-48.6	172.8	170.2	64.1	0	0	0	110.8	I177 R183 A184 C185 F206 I226 L227	I177-L181 WeakPolarHBondContact O-CB 3.49Å; I177-L181 PolarHBondContact O-N 3.1Å; L181-R183 PolarHBondContact O-N 2.52Å; L181-A184 PolarHBondContact O-N 3.41Å; L181-C185 VanDerWaalsContact CD1-SG 3.55Å; L181-C185 WeakPolarHBondContact O-CB 3.43Å; L181-C185 PolarHBondContact O-N 2.85Å; L181-F206 HydrophobicContact CD2-CB 4.26Å; L181-F206 HydrophobicContact CD2-CD1 3.55Å; L181-F206 HydrophobicContact CD2-CE1 4.04Å; L181-F206 HydrophobicContact CD2-CG 3.94Å; L181-I226 HydrophobicContact CD1-CB 4.26Å; L181-I226 HydrophobicContact CD1-CG2 3.78Å; L181-L227 HydrophobicContact CD1-CB 3.91Å; L181-L227 HydrophobicContact CD2-CB 4.2Å; L181-L227 HydrophobicContact CD2-CD1 4.15Å
182	Y	98.8	Very high	98.3	Very high	67 Å²	67	46.8 Å²	46.8	26%	0.263	23%	0.233	S	C	.	.	H	α-helix	trans	-59.4	-49.9	-176.5	-152.6	-34.8	0	0	0	110.6	P178 E179 A180 A184 C185 M186 I192 G194	P178-Y182 WeakPolarHBondContact O-CB 3.32Å; P178-Y182 PolarHBondContact O-N 2.86Å; E179-Y182 PolarHBondContact O-N 2.89Å; A180-Y182 VanDerWaalsContact C-N 3.32Å; A180-Y182 PolarHBondContact O-N 3.18Å; Y182-A184 PolarHBondContact O-N 3.31Å; Y182-C185 PolarHBondContact O-N 3.11Å; Y182-M186 HydrophobicContact CD1-CE 3.68Å; Y182-M186 HydrophobicContact CD1-CG 3.99Å; Y182-M186 HydrophobicContact CD1-SD 3.98Å; Y182-M186 HydrophobicContact CE1-CE 4.12Å; Y182-M186 HydrophobicContact CE1-CG 4.11Å; Y182-M186 HydrophobicContact CE1-SD 3.89Å; Y182-M186 HydrophobicContact CG-CE 4.5Å; Y182-M186 WeakPolarHBondContact O-CG 3.3Å; Y182-M186 PolarHBondContact O-N 3.34Å; Y182-I192 HydrophobicContact CD1-CD1 3.93Å; Y182-I192 HydrophobicContact CD1-CG1 4.19Å; Y182-I192 HydrophobicContact CD1-CG2 3.91Å; Y182-I192 HydrophobicContact CE1-CD1 4.33Å; Y182-I192 HydrophobicContact CE1-CG1 4.1Å; Y182-I192 HydrophobicContact CE1-CG2 3.86Å; Y182-I192 HydrophobicContact CG-CD1 4.06Å; Y182-G194 WeakPolarHBondContact OH-CA 3.35Å
183	R	98.8	Very high	98.4	Very high	181 Å²	181	49.6 Å²	49.6	68%	0.683	25%	0.251	S	S	*	.	H	α-helix	trans	-60.3	-44.7	176.6	-66.1	-68	-172.3	132.2	2.1	112.1	E179 A180 L181 M186 Y187	E179-R183 WeakPolarHBondContact O-CG 3.44Å; E179-R183 PolarHBondContact O-N 2.95Å; A180-R183 PolarHBondContact O-N 3.42Å; L181-R183 PolarHBondContact O-N 2.52Å; R183-M186 PolarHBondContact O-N 2.76Å; R183-Y187 WeakPolarHBondContact O-CB 3.39Å; R183-Y187 PolarHBondContact O-N 3.27Å
184	A	98.9	Very high	98.5	Very high	12 Å²	12	49.5 Å²	49.5	10%	0.099	25%	0.253	C	S	.	.	H	α-helix	trans	-63.5	-44.9	-179.6	0	0	0	0	0	112	P90 A180 L181 Y182 Y187 A188 I226 V230	P90-A184 HydrophobicContact CB-CB 3.78Å; P90-A184 HydrophobicContact CG-CB 3.91Å; A180-A184 VanDerWaalsContact O-CB 3.27Å; A180-A184 WeakPolarHBondContact O-CB 3.36Å; A180-A184 PolarHBondContact O-N 2.74Å; L181-A184 PolarHBondContact O-N 3.41Å; Y182-A184 PolarHBondContact O-N 3.31Å; A184-Y187 PolarHBondContact O-N 3.32Å; A184-A188 VanDerWaalsContact O-CB 3.22Å; A184-A188 WeakPolarHBondContact O-CB 3.45Å; A184-A188 PolarHBondContact O-N 3.22Å; A184-I226 HydrophobicContact CB-CG2 3.5Å; A184-V230 HydrophobicContact CB-CG2 4.41Å
185	C	98.9	Very high	98.6	Very high	0 Å²	0	51 Å²	51	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-61.5	-46.3	175.3	-81.2	0	0	0	0	112.1	L181 Y182 Y187 A188 G189 V190 I192	L181-C185 VanDerWaalsContact CD1-SG 3.55Å; L181-C185 WeakPolarHBondContact O-CB 3.43Å; L181-C185 PolarHBondContact O-N 2.85Å; Y182-C185 PolarHBondContact O-N 3.11Å; C185-Y187 PolarHBondContact O-N 3.47Å; C185-A188 PolarHBondContact O-N 3.1Å; C185-G189 PolarHBondContact O-N 2.85Å; C185-G189 VanDerWaalsContact O-N 3.1Å; C185-V190 HydrophobicContact CB-CB 3.9Å; C185-V190 HydrophobicContact CB-CG1 4.22Å; C185-V190 PolarHBondContact O-N 2.9Å; C185-I192 HydrophobicContact CB-CB 3.95Å; C185-I192 HydrophobicContact CB-CD1 4.06Å; C185-I192 HydrophobicContact CB-CG2 3.62Å
186	M	98.7	Very high	98.6	Very high	102 Å²	102	48.6 Å²	48.6	50%	0.502	26%	0.256	S	S	.	.	H	α-helix	trans	-60.2	-44.3	175.9	-74.7	-171.4	-68.3	0	0	112	Y182 R183 G189 I192	Y182-M186 HydrophobicContact CD1-CE 3.68Å; Y182-M186 HydrophobicContact CD1-CG 3.99Å; Y182-M186 HydrophobicContact CD1-SD 3.98Å; Y182-M186 HydrophobicContact CE1-CE 4.12Å; Y182-M186 HydrophobicContact CE1-CG 4.11Å; Y182-M186 HydrophobicContact CE1-SD 3.89Å; Y182-M186 HydrophobicContact CG-CE 4.5Å; Y182-M186 WeakPolarHBondContact O-CG 3.3Å; Y182-M186 PolarHBondContact O-N 3.34Å; R183-M186 PolarHBondContact O-N 2.76Å; M186-G189 PolarHBondContact O-N 3.37Å; M186-I192 HydrophobicContact CG-CG2 3.83Å
187	Y	98.8	Very high	98.6	Very high	71 Å²	71	43.6 Å²	43.6	28%	0.278	23%	0.23	S	C	.	.	H	α-helix	trans	-62.9	-43.9	176.6	177.3	-85.4	0	0	0	112	R88 D89 P90 G93 G94 R183 A184 C185 G189	R88-Y187 HydrophobicContact CB-CD1 4.08Å; R88-Y187 HydrophobicContact CB-CE1 3.7Å; R88-Y187 WeakPolarHBondContact CD-O 3.39Å; R88-Y187 VanDerWaalsContact CZ-CZ 3.48Å; R88-Y187 VanDerWaalsContact NH2-CE2 3.27Å; R88-Y187 VanDerWaalsContact NH2-CZ 3.25Å; R88-Y187 PolarHBondContact NH2-OH 3.15Å; D89-Y187 WeakPolarHBondContact O-CE1 3.24Å; P90-Y187 HydrophobicContact CB-CD1 3.81Å; P90-Y187 HydrophobicContact CB-CG 4.47Å; G93-Y187 WeakPolarHBondContact CA-OH 3.27Å; G94-Y187 PolarHBondContact N-OH 3.36Å; R183-Y187 WeakPolarHBondContact O-CB 3.39Å; R183-Y187 PolarHBondContact O-N 3.27Å; A184-Y187 PolarHBondContact O-N 3.32Å; C185-Y187 PolarHBondContact O-N 3.47Å; Y187-G189 PolarHBondContact O-N 3.12Å
188	A	98.8	Very high	98.7	Very high	3 Å²	3	44.1 Å²	44.1	3%	0.025	23%	0.232	C	C	.	.	H	α-helix	trans	-64.6	-24.3	-178.4	0	0	0	0	0	112.9	F87 R88 A184 C185 V190 I226	F87-A188 HydrophobicContact CB-CB 4.34Å; F87-A188 WeakPolarHBondContact CB-O 3.08Å; R88-A188 PolarHBondContact N-O 3.12Å; R88-A188 WeakPolarHBondContact O-CA 3.33Å; R88-A188 WeakPolarHBondContact O-CB 3.29Å; A184-A188 VanDerWaalsContact O-CB 3.22Å; A184-A188 WeakPolarHBondContact O-CB 3.45Å; A184-A188 PolarHBondContact O-N 3.22Å; C185-A188 PolarHBondContact O-N 3.1Å; A188-V190 HydrophobicContact CB-CG2 4.26Å; A188-I226 HydrophobicContact CB-CD1 3.74Å
189	G	98.7	Very high	98.6	Very high	47 Å²	47	45 Å²	45	49%	0.485	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	89.5	17.5	-171.7	0	0	0	0	0	113	C185 M186 Y187 H219	C185-G189 PolarHBondContact O-N 2.85Å; C185-G189 VanDerWaalsContact O-N 3.1Å; M186-G189 PolarHBondContact O-N 3.37Å; Y187-G189 PolarHBondContact O-N 3.12Å; G189-H219 PolarHBondContact O-CE1 3.22Å; G189-H219 VanDerWaalsContact O-CE1 3.32Å
190	V	98.9	Very high	98.5	Very high	7 Å²	7	40.3 Å²	40.3	4%	0.042	22%	0.216	C	C	.	.			trans	-69.8	135	169.9	174.3	0	0	0	0	108.9	F87 C185 A188 I192 V208 H219 M222 A223 I226	F87-V190 HydrophobicContact CD1-CG2 3.95Å; F87-V190 HydrophobicContact CE1-CG2 4.01Å; C185-V190 HydrophobicContact CB-CB 3.9Å; C185-V190 HydrophobicContact CB-CG1 4.22Å; C185-V190 PolarHBondContact O-N 2.9Å; A188-V190 HydrophobicContact CB-CG2 4.26Å; V190-I192 PolarHBondContact O-N 3.41Å; V190-V208 HydrophobicContact CG1-CG2 4.47Å; V190-H219 WeakPolarHBondContact CA-ND1 3.34Å; V190-H219 HydrophobicContact CG1-CB 4.47Å; V190-M222 HydrophobicContact CG2-CB 4.31Å; V190-M222 HydrophobicContact CG2-CG 4.04Å; V190-A223 HydrophobicContact CG1-CB 4.01Å; V190-I226 HydrophobicContact CG2-CD1 4.04Å
191	K	98.8	Very high	98.5	Very high	100 Å²	100	38.8 Å²	38.8	44%	0.435	20%	0.203	S	C	.	.			trans	-73.9	52.5	177.7	-74.3	-179.7	162	-168.5	0	112.7	V208 G209 P210 C211 H219	K191-V208 CarbonylContact O-C 3.46Å; K191-V208 WeakPolarHBondContact O-CA 3.33Å; K191-G209 PolarHBondContact O-N 2.7Å; K191-P210 PolarHBondContact NZ-O 2.65Å; K191-P210 VanDerWaalsContact NZ-O 3.09Å; K191-C211 VanDerWaalsContact CD-SG 3.54Å; K191-H219 PolarHBondContact N-ND1 2.82Å; K191-H219 VanDerWaalsContact N-ND1 3.2Å
192	I	98.8	Very high	98.4	Very high	19 Å²	19	38.9 Å²	38.9	10%	0.097	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.6	131.2	171.2	-172.3	161.7	0	0	0	109.3	Y182 C185 M186 V190 F206 Q207	Y182-I192 HydrophobicContact CD1-CD1 3.93Å; Y182-I192 HydrophobicContact CD1-CG1 4.19Å; Y182-I192 HydrophobicContact CD1-CG2 3.91Å; Y182-I192 HydrophobicContact CE1-CD1 4.33Å; Y182-I192 HydrophobicContact CE1-CG1 4.1Å; Y182-I192 HydrophobicContact CE1-CG2 3.86Å; Y182-I192 HydrophobicContact CG-CD1 4.06Å; C185-I192 HydrophobicContact CB-CB 3.95Å; C185-I192 HydrophobicContact CB-CD1 4.06Å; C185-I192 HydrophobicContact CB-CG2 3.62Å; M186-I192 HydrophobicContact CG-CG2 3.83Å; V190-I192 PolarHBondContact O-N 3.41Å; I192-F206 HydrophobicContact CD1-CB 4.09Å; I192-Q207 CarbonylContact C-O 3.56Å; I192-Q207 WeakPolarHBondContact CA-O 3.4Å
193	C	98	Very high	98.4	Very high	73 Å²	73	35.8 Å²	35.8	49%	0.493	19%	0.192	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	-6.4	-175.9	59.5	0	0	0	0	114.6	Q207 G209	C193-Q207 PolarHBondContact N-O 3.07Å; C193-Q207 WeakPolarHBondContact SG-CB 3.42Å; C193-Q207 PolarHBondContact SG-O 3.28Å; C193-Q207 VanDerWaalsContact SG-O 3.42Å; C193-G209 VanDerWaalsContact CB-O 3.23Å; C193-G209 WeakPolarHBondContact CB-O 3.17Å; C193-G209 PolarHBondContact SG-O 3.17Å
194	G	98.5	Very high	98.4	Very high	11 Å²	11	27.4 Å²	27.4	11%	0.113	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	179.1	176.9	173.9	0	0	0	0	0	113	Y182 F206 Q207	Y182-G194 WeakPolarHBondContact OH-CA 3.35Å; G194-F206 WeakPolarHBondContact O-CA 3.26Å; G194-Q207 PolarHBondContact O-N 3.01Å; G194-Q207 PolarHBondContact O-OE1 3.2Å
195	S	98.4	Very high	98.4	Very high	41 Å²	41	27.3 Å²	27.3	29%	0.287	16%	0.158	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.8	151.4	171.4	179	0	0	0	0	110.5	E205	S195-E205 WeakPolarHBondContact CA-O 3.37Å; S195-E205 VanDerWaalsContact CB-O 3.28Å; S195-E205 WeakPolarHBondContact CB-O 3.29Å; S195-E205 PolarHBondContact OG-O 3.42Å
196	N	98.7	Very high	98.4	Very high	30 Å²	30	27.4 Å²	27.4	16%	0.16	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.4	158.3	174.2	55.7	-81.2	0	0	0	111.3	E198 E205 Q207	N196-E198 PolarHBondContact ND2-OE1 2.85Å; N196-E205 PolarHBondContact N-O 2.58Å; N196-E205 PolarHBondContact O-N 3Å; N196-Q207 PolarHBondContact OD1-NE2 2.83Å
197	A	98.5	Very high	98.4	Very high	7 Å²	7	24.1 Å²	24.1	6%	0.058	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	135.7	165.2	0	0	0	0	0	108.8	Y164 C165 W204	Y164-A197 WeakPolarHBondContact CD2-O 3.44Å; C165-A197 PolarHBondContact N-O 3.3Å; A197-W204 VanDerWaalsContact CA-CE3 3.47Å; A197-W204 HydrophobicContact CB-CD2 4.35Å; A197-W204 HydrophobicContact CB-CE3 3.81Å; A197-W204 HydrophobicContact CB-CH2 4Å; A197-W204 HydrophobicContact CB-CZ2 4.49Å; A197-W204 HydrophobicContact CB-CZ3 3.64Å
198	E	98.4	Very high	98.4	Very high	15 Å²	15	20.8 Å²	20.8	7%	0.07	13%	0.129	C	C	.	.			trans	-91	177.1	-177	-94.6	-51.8	130	0	0	113.4	E138 Y163 Y164 N196 Q203 E205	E138-E198 HydrophobicContact CG-CG 4.15Å; Y163-E198 CarbonylContact C-O 3.29Å; Y164-E198 WeakPolarHBondContact CA-O 3.48Å; Y164-E198 PolarHBondContact N-O 2.64Å; N196-E198 PolarHBondContact ND2-OE1 2.85Å; E198-Q203 HydrophobicContact CB-CB 3.72Å; E198-Q203 HydrophobicContact CB-CG 3.63Å; E198-Q203 HydrophobicContact CG-CG 4.28Å; E198-Q203 PolarHBondContact N-O 3.4Å; E198-E205 HydrophobicContact CG-CB 4.05Å
199	V	97.5	Very high	98.4	Very high	25 Å²	25	21 Å²	21	15%	0.152	13%	0.131	C	C	.	.	S	Bend	trans	-63.9	-40.1	-174.7	-178.5	0	0	0	0	112.9	Q160 Y164 N250	Q160-V199 HydrophobicContact CB-CG1 3.97Å; Q160-V199 HydrophobicContact CG-CG1 4.36Å; Y164-V199 HydrophobicContact CD2-CG2 4.01Å; Y164-V199 HydrophobicContact CG-CG2 4.39Å; V199-N250 HydrophobicContact CB-CB 4.19Å; V199-N250 WeakPolarHBondContact CB-ND2 3.43Å; V199-N250 HydrophobicContact CG1-CB 4.49Å
200	M	97.2	Very high	98.4	Very high	1 Å²	1	22.6 Å²	22.6	1%	0.005	13%	0.132	C	C	.	.	S	Bend	trans	-79.1	134.1	175.2	-176.5	-173.5	75.1	0	0	109.7	A140 W151 S202 Q203 P244 M245 W249	A140-M200 HydrophobicContact CB-CE 3.76Å; W151-M200 HydrophobicContact CH2-CG 4.29Å; W151-M200 HydrophobicContact CH2-SD 4.35Å; W151-M200 HydrophobicContact CZ2-CG 3.78Å; W151-M200 HydrophobicContact CZ2-SD 4.12Å; M200-S202 PolarHBondContact O-N 3.09Å; M200-Q203 HydrophobicContact CB-CB 3.88Å; M200-Q203 VanDerWaalsContact CB-OE1 3.27Å; M200-Q203 HydrophobicContact CE-CB 3.92Å; M200-Q203 HydrophobicContact CE-CG 4.35Å; M200-Q203 WeakPolarHBondContact O-CB 3.34Å; M200-Q203 PolarHBondContact O-N 2.75Å; M200-P244 HydrophobicContact CE-CG 3.84Å; M200-P244 HydrophobicContact SD-CG 4.41Å; M200-M245 HydrophobicContact SD-CB 4.11Å; M200-W249 HydrophobicContact CG-CB 4.28Å; M200-W249 HydrophobicContact CG-CE3 4.1Å; M200-W249 HydrophobicContact SD-CB 4.06Å
201	P	97.1	Very high	98.4	Very high	1 Å²	1	22.3 Å²	22.3	1%	0.006	13%	0.131	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.4	137.8	175.3	18.8	-23.8	0	0	0	110.7	W151 P157 Y163 L173 Q203 W249	W151-P201 HydrophobicContact CZ2-CG 3.62Å; W151-P201 PolarHBondContact NE1-O 3.45Å; P157-P201 HydrophobicContact CB-CG 4.26Å; P157-P201 HydrophobicContact CG-CB 4.41Å; P157-P201 HydrophobicContact CG-CG 3.47Å; P157-P201 VanDerWaalsContact CG-CG 3.47Å; Y163-P201 HydrophobicContact CD1-CB 3.75Å; Y163-P201 HydrophobicContact CD1-CG 4.31Å; Y163-P201 HydrophobicContact CD2-CB 4.17Å; Y163-P201 HydrophobicContact CD2-CG 3.94Å; Y163-P201 HydrophobicContact CE1-CB 3.88Å; Y163-P201 HydrophobicContact CE1-CG 4.17Å; Y163-P201 HydrophobicContact CE2-CB 4.28Å; Y163-P201 HydrophobicContact CE2-CG 3.77Å; Y163-P201 HydrophobicContact CG-CB 3.91Å; Y163-P201 HydrophobicContact CG-CG 4.21Å; L173-P201 HydrophobicContact CD1-CB 4.09Å; P201-Q203 PolarHBondContact O-N 2.78Å; P201-W249 HydrophobicContact CG-CZ3 4.07Å
202	S	97.6	Very high	98.4	Very high	3 Å²	3	21.5 Å²	21.5	2%	0.021	13%	0.129	C	C	.	.	T	Hydrogen-bonded Turn	trans	70.7	8.2	-172.4	-45.8	0	0	0	0	114.9	L141 L149 L173 M200	L141-S202 WeakPolarHBondContact CB-O 3.28Å; L141-S202 PolarHBondContact N-O 2.91Å; L149-S202 PolarHBondContact O-OG 3.25Å; L173-S202 WeakPolarHBondContact CB-OG 3.19Å; L173-S202 WeakPolarHBondContact CD1-OG 3.37Å; M200-S202 PolarHBondContact O-N 3.09Å
203	Q	98.5	Very high	98.4	Very high	2 Å²	2	21 Å²	21	1%	0.009	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	142.7	167.2	-161.4	-176.1	21.8	0	0	110	Y139 E198 M200 P201 G251 S252	Y139-Q203 WeakPolarHBondContact O-CA 3.45Å; Y139-Q203 VanDerWaalsContact O-CG 3.31Å; Y139-Q203 WeakPolarHBondContact O-CG 3.43Å; E198-Q203 HydrophobicContact CB-CB 3.72Å; E198-Q203 HydrophobicContact CB-CG 3.63Å; E198-Q203 HydrophobicContact CG-CG 4.28Å; E198-Q203 PolarHBondContact N-O 3.4Å; M200-Q203 HydrophobicContact CB-CB 3.88Å; M200-Q203 VanDerWaalsContact CB-OE1 3.27Å; M200-Q203 HydrophobicContact CE-CB 3.92Å; M200-Q203 HydrophobicContact CE-CG 4.35Å; M200-Q203 WeakPolarHBondContact O-CB 3.34Å; M200-Q203 PolarHBondContact O-N 2.75Å; P201-Q203 PolarHBondContact O-N 2.78Å; Q203-G251 PolarHBondContact NE2-O 2.59Å; Q203-S252 PolarHBondContact NE2-OG 2.61Å
204	W	98.8	Very high	98.4	Very high	6 Å²	6	18.5 Å²	18.5	2%	0.023	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	161.4	-178.5	-65.6	88.3	0	0	0	109.9	E138 Y139 A172 L173 R175 P178 A197	E138-W204 CarbonylContact C-O 3.5Å; E138-W204 WeakPolarHBondContact CA-O 3.39Å; Y139-W204 HydrophobicContact CD1-CB 4.44Å; Y139-W204 WeakPolarHBondContact CD1-O 3.37Å; Y139-W204 HydrophobicContact CE1-CB 3.69Å; Y139-W204 WeakPolarHBondContact CE1-O 3.46Å; Y139-W204 HydrophobicContact CE2-CB 3.95Å; Y139-W204 VanDerWaalsContact CZ-CB 3.45Å; Y139-W204 PolarHBondContact N-O 2.86Å; Y139-W204 PolarHBondContact O-N 3.11Å; Y139-W204 WeakPolarHBondContact OH-CB 3.23Å; A172-W204 HydrophobicContact CB-CH2 4.2Å; A172-W204 HydrophobicContact CB-CZ2 4.46Å; L173-W204 WeakPolarHBondContact O-CZ2 3.4Å; L173-W204 PolarHBondContact O-NE1 3.19Å; R175-W204 HydrophobicContact CB-CH2 3.76Å; R175-W204 HydrophobicContact CB-CZ2 4.05Å; R175-W204 HydrophobicContact CG-CH2 3.99Å; P178-W204 HydrophobicContact CB-CD2 4.36Å; P178-W204 HydrophobicContact CB-CE3 4.04Å; P178-W204 HydrophobicContact CB-CZ3 4.48Å; P178-W204 HydrophobicContact CG-CD2 3.67Å; P178-W204 HydrophobicContact CG-CE3 3.53Å; P178-W204 HydrophobicContact CG-CG 4.26Å; P178-W204 HydrophobicContact CG-CH2 4.05Å; P178-W204 HydrophobicContact CG-CZ2 4.18Å; P178-W204 HydrophobicContact CG-CZ3 3.73Å; A197-W204 VanDerWaalsContact CA-CE3 3.47Å; A197-W204 HydrophobicContact CB-CD2 4.35Å; A197-W204 HydrophobicContact CB-CE3 3.81Å; A197-W204 HydrophobicContact CB-CH2 4Å; A197-W204 HydrophobicContact CB-CZ2 4.49Å; A197-W204 HydrophobicContact CB-CZ3 3.64Å
205	E	98.9	Very high	98.4	Very high	10 Å²	10	19.4 Å²	19.4	5%	0.047	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	146.6	175	-167	-179.6	115.1	0	0	110.3	E136 Q137 E138 S195 N196 E198 Q207	E136-E205 HydrophobicContact CB-CG 4.42Å; E136-E205 WeakPolarHBondContact CB-OE1 3.32Å; E136-E205 WeakPolarHBondContact CG-OE1 3.37Å; Q137-E205 VanDerWaalsContact O-CA 3.32Å; Q137-E205 WeakPolarHBondContact O-CA 3.26Å; E138-E205 HydrophobicContact CG-CB 4.28Å; E138-E205 HydrophobicContact CG-CG 4Å; E138-E205 WeakPolarHBondContact CG-OE2 3.34Å; S195-E205 WeakPolarHBondContact CA-O 3.37Å; S195-E205 VanDerWaalsContact CB-O 3.28Å; S195-E205 WeakPolarHBondContact CB-O 3.29Å; S195-E205 PolarHBondContact OG-O 3.42Å; N196-E205 PolarHBondContact N-O 2.58Å; N196-E205 PolarHBondContact O-N 3Å; E198-E205 HydrophobicContact CG-CB 4.05Å; E205-Q207 WeakPolarHBondContact OE1-CG 3.31Å; E205-Q207 PolarHBondContact OE1-NE2 2.75Å
206	F	98.9	Very high	98.4	Very high	1 Å²	1	17.5 Å²	17.5	0%	0.004	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	146.4	159.1	66.5	-90.7	0	0	0	109.9	Q137 Y139 L181 I192 G194 V208 L220 A223 L227	Q137-F206 HydrophobicContact CB-CD1 4.18Å; Q137-F206 HydrophobicContact CB-CD2 4.21Å; Q137-F206 HydrophobicContact CB-CE1 3.75Å; Q137-F206 HydrophobicContact CB-CE2 3.78Å; Q137-F206 HydrophobicContact CB-CG 4.41Å; Q137-F206 HydrophobicContact CB-CZ 3.56Å; Q137-F206 HydrophobicContact CG-CD1 4.22Å; Q137-F206 HydrophobicContact CG-CE1 3.41Å; Q137-F206 VanDerWaalsContact CG-CE1 3.41Å; Q137-F206 HydrophobicContact CG-CE2 4.16Å; Q137-F206 HydrophobicContact CG-CZ 3.4Å; Q137-F206 VanDerWaalsContact CG-CZ 3.4Å; Q137-F206 PolarHBondContact N-O 2.81Å; Q137-F206 PolarHBondContact O-N 3.32Å; Q137-F206 VanDerWaalsContact O-N 3.08Å; Y139-F206 HydrophobicContact CD1-CD1 4Å; Y139-F206 HydrophobicContact CD1-CE1 4.12Å; Y139-F206 AromaticContact CE1-CD1 3.61Å; Y139-F206 HydrophobicContact CE1-CD1 3.61Å; Y139-F206 HydrophobicContact CE1-CE1 4.12Å; L181-F206 HydrophobicContact CD2-CB 4.26Å; L181-F206 HydrophobicContact CD2-CD1 3.55Å; L181-F206 HydrophobicContact CD2-CE1 4.04Å; L181-F206 HydrophobicContact CD2-CG 3.94Å; I192-F206 HydrophobicContact CD1-CB 4.09Å; G194-F206 WeakPolarHBondContact O-CA 3.26Å; F206-V208 HydrophobicContact CD2-CG2 3.86Å; F206-V208 HydrophobicContact CE2-CG2 3.73Å; F206-L220 HydrophobicContact CE2-CD1 3.79Å; F206-L220 HydrophobicContact CZ-CD1 4.05Å; F206-A223 HydrophobicContact CD2-CB 4.38Å; F206-A223 HydrophobicContact CE2-CB 3.47Å; F206-A223 VanDerWaalsContact CE2-CB 3.47Å; F206-A223 HydrophobicContact CZ-CB 3.9Å; F206-L227 HydrophobicContact CE1-CD2 3.82Å
207	Q	98.9	Very high	98.4	Very high	33 Å²	33	16.1 Å²	16.1	15%	0.154	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	135.1	-179.7	-56.2	86.9	40.5	0	0	110.9	I135 E136 I192 C193 G194 N196 E205	I135-Q207 CarbonylContact O-C 3.57Å; I135-Q207 WeakPolarHBondContact O-CA 3.36Å; E136-Q207 HydrophobicContact CB-CG 4.37Å; E136-Q207 HydrophobicContact CG-CG 3.79Å; I192-Q207 CarbonylContact C-O 3.56Å; I192-Q207 WeakPolarHBondContact CA-O 3.4Å; C193-Q207 PolarHBondContact N-O 3.07Å; C193-Q207 WeakPolarHBondContact SG-CB 3.42Å; C193-Q207 PolarHBondContact SG-O 3.28Å; C193-Q207 VanDerWaalsContact SG-O 3.42Å; G194-Q207 PolarHBondContact O-N 3.01Å; G194-Q207 PolarHBondContact O-OE1 3.2Å; N196-Q207 PolarHBondContact OD1-NE2 2.83Å; E205-Q207 WeakPolarHBondContact OE1-CG 3.31Å; E205-Q207 PolarHBondContact OE1-NE2 2.75Å
208	V	98.9	Very high	98.4	Very high	2 Å²	2	16.2 Å²	16.2	1%	0.012	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	119.2	175.8	174.3	0	0	0	0	109.5	G134 I135 V190 K191 F206 H219 L220 A223	G134-V208 CarbonylContact C-O 3.56Å; G134-V208 VanDerWaalsContact CA-O 3.27Å; G134-V208 WeakPolarHBondContact CA-O 3.31Å; I135-V208 PolarHBondContact N-O 2.97Å; I135-V208 PolarHBondContact O-N 2.88Å; V190-V208 HydrophobicContact CG1-CG2 4.47Å; K191-V208 CarbonylContact O-C 3.46Å; K191-V208 WeakPolarHBondContact O-CA 3.33Å; F206-V208 HydrophobicContact CD2-CG2 3.86Å; F206-V208 HydrophobicContact CE2-CG2 3.73Å; V208-H219 HydrophobicContact CG1-CB 3.55Å; V208-L220 HydrophobicContact CG2-CD1 4.18Å; V208-A223 HydrophobicContact CG2-CB 4.07Å
209	G	98.2	Very high	98.5	Very high	7 Å²	7	16.7 Å²	16.7	7%	0.072	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	145.4	-179.7	173.5	0	0	0	0	0	114.3	K191 C193	K191-G209 PolarHBondContact O-N 2.7Å; C193-G209 VanDerWaalsContact CB-O 3.23Å; C193-G209 WeakPolarHBondContact CB-O 3.17Å; C193-G209 PolarHBondContact SG-O 3.17Å
210	P	98.5	Very high	98.5	Very high	80 Å²	80	15.5 Å²	15.5	52%	0.519	9%	0.089	S	C	.	.	E	Extended strand (participates in β ladder)	cis	-73.5	133.2	-0.5	28.6	-33.5	0	0	0	112.9	W132 F133 K191	W132-P210 HydrophobicContact CE3-CB 4.27Å; F133-P210 CarbonylContact O-C 3.51Å; F133-P210 VanDerWaalsContact O-CA 3.32Å; F133-P210 WeakPolarHBondContact O-CA 3.37Å; K191-P210 PolarHBondContact NZ-O 2.65Å; K191-P210 VanDerWaalsContact NZ-O 3.09Å
211	C	98.8	Very high	98.6	Very high	1 Å²	1	15.5 Å²	15.5	1%	0.007	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	139.9	175.2	-66.7	0	0	0	0	109.9	W132 F133 K191 A216	W132-C211 CarbonylContact C-O 3.48Å; W132-C211 WeakPolarHBondContact CA-O 3.49Å; F133-C211 PolarHBondContact N-O 3.42Å; F133-C211 PolarHBondContact O-N 3.2Å; K191-C211 VanDerWaalsContact CD-SG 3.54Å; C211-A216 VanDerWaalsContact CB-CA 3.44Å; C211-A216 HydrophobicContact CB-CB 3.72Å
212	E	98.7	Very high	98.7	Very high	84 Å²	84	15.5 Å²	15.5	39%	0.393	9%	0.089	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	130.2	178.1	-174.3	168.9	136	0	0	110.8	P131 W132 S215	P131-E212 WeakPolarHBondContact O-CA 3.4Å; W132-E212 PolarHBondContact NE1-OE2 3.36Å; E212-S215 PolarHBondContact N-OG 2.95Å; E212-S215 PolarHBondContact O-N 3.45Å; E212-S215 PolarHBondContact O-OG 2.9Å
213	G	98.6	Very high	98.8	Very high	7 Å²	7	15.3 Å²	15.3	7%	0.072	9%	0.088	C	C	.	.	T	Hydrogen-bonded Turn	trans	55.4	-135.1	174.4	0	0	0	0	0	114.3	M123 P131 S215 A216	M123-G213 VanDerWaalsContact SD-CA 3.56Å; P131-G213 PolarHBondContact O-N 3.43Å; G213-S215 PolarHBondContact O-N 2.97Å; G213-S215 VanDerWaalsContact O-N 3.12Å; G213-A216 PolarHBondContact O-N 2.87Å
214	V	98.7	Very high	98.8	Very high	22 Å²	22	15.3 Å²	15.3	13%	0.133	9%	0.087	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.9	-25.4	-174.7	70.3	0	0	0	0	113.3	R116 N120 M123 A216 G217 D218 Y352	R116-V214 HydrophobicContact CG-CG2 3.93Å; N120-V214 HydrophobicContact CB-CG2 4.15Å; N120-V214 WeakPolarHBondContact OD1-CG1 3.33Å; M123-V214 HydrophobicContact CG-CB 4.4Å; V214-A216 PolarHBondContact O-N 3.03Å; V214-A216 VanDerWaalsContact O-N 3.12Å; V214-G217 PolarHBondContact O-N 3.4Å; V214-G217 VanDerWaalsContact O-N 3.1Å; V214-D218 PolarHBondContact O-N 2.91Å; V214-Y352 HydrophobicContact CG2-CD1 4.2Å; V214-Y352 HydrophobicContact CG2-CE1 3.99Å
215	S	98.7	Very high	98.8	Very high	29 Å²	29	15.4 Å²	15.4	20%	0.203	9%	0.088	C	C	.	.	H	α-helix	trans	-61.8	-23.5	-179	70.7	0	0	0	0	112.9	E212 G213 G217 D218 H219	E212-S215 PolarHBondContact N-OG 2.95Å; E212-S215 PolarHBondContact O-N 3.45Å; E212-S215 PolarHBondContact O-OG 2.9Å; G213-S215 PolarHBondContact O-N 2.97Å; G213-S215 VanDerWaalsContact O-N 3.12Å; S215-G217 VanDerWaalsContact C-N 3.34Å; S215-G217 PolarHBondContact O-N 3.41Å; S215-D218 PolarHBondContact O-N 2.76Å; S215-H219 WeakPolarHBondContact O-CB 3.26Å; S215-H219 PolarHBondContact O-CD2 2.97Å; S215-H219 PolarHBondContact O-N 2.67Å
216	A	98.8	Very high	98.8	Very high	2 Å²	2	15 Å²	15	2%	0.017	9%	0.086	C	C	.	.	H	α-helix	trans	-59.6	-44.7	174.8	0	0	0	0	0	112	F133 C211 G213 V214 L220 T355	F133-A216 HydrophobicContact CB-CB 3.74Å; F133-A216 HydrophobicContact CD2-CB 3.83Å; F133-A216 HydrophobicContact CG-CB 4.07Å; C211-A216 VanDerWaalsContact CB-CA 3.44Å; C211-A216 HydrophobicContact CB-CB 3.72Å; G213-A216 PolarHBondContact O-N 2.87Å; V214-A216 PolarHBondContact O-N 3.03Å; V214-A216 VanDerWaalsContact O-N 3.12Å; A216-L220 PolarHBondContact O-N 3.49Å; A216-L220 VanDerWaalsContact O-N 3.11Å; A216-T355 HydrophobicContact CB-CG2 4.12Å
217	G	98.8	Very high	98.8	Very high	0 Å²	0	14.9 Å²	14.9	0%	0	9%	0.086	C	C	.	.	H	α-helix	trans	-67.8	-41.6	174.2	0	0	0	0	0	112.4	V214 S215 H219 L220 W221	V214-G217 PolarHBondContact O-N 3.4Å; V214-G217 VanDerWaalsContact O-N 3.1Å; S215-G217 VanDerWaalsContact C-N 3.34Å; S215-G217 PolarHBondContact O-N 3.41Å; G217-H219 PolarHBondContact O-N 3.15Å; G217-L220 PolarHBondContact O-N 3.41Å; G217-W221 WeakPolarHBondContact O-CB 3.48Å; G217-W221 VanDerWaalsContact O-CD1 3.3Å; G217-W221 PolarHBondContact O-N 3.48Å
218	D	98.9	Very high	98.8	Very high	10 Å²	10	16.5 Å²	16.5	5%	0.053	9%	0.093	C	C	.	.	H	α-helix	trans	-58.9	-46.7	178.9	-62.4	-16.5	0	0	0	111.7	A85 L100 R116 V214 S215 M222 Y352	A85-D218 HydrophobicContact CB-CB 3.99Å; L100-D218 HydrophobicContact CD2-CB 3.99Å; R116-D218 IonicContact CZ-OD1 3.59Å; R116-D218 IonicContact CZ-OD2 2.92Å; R116-D218 IonicContact NE-OD1 3.95Å; R116-D218 PolarHBondContact NE-OD1 3.15Å; R116-D218 IonicContact NE-OD2 2.76Å; R116-D218 IonicContact NH2-OD1 2.96Å; R116-D218 IonicContact NH2-OD2 3.83Å; R116-D218 PolarHBondContact NH2-OD2 2.97Å; V214-D218 PolarHBondContact O-N 2.91Å; S215-D218 PolarHBondContact O-N 2.76Å; D218-M222 WeakPolarHBondContact O-CB 3.49Å; D218-M222 PolarHBondContact O-N 2.92Å; D218-M222 VanDerWaalsContact O-N 3.15Å; D218-Y352 VanDerWaalsContact OD1-CE1 3.3Å; D218-Y352 WeakPolarHBondContact OD1-CE1 3.26Å; D218-Y352 VanDerWaalsContact OD1-CZ 3.31Å; D218-Y352 PolarHBondContact OD1-OH 3.48Å
219	H	98.9	Very high	98.8	Very high	25 Å²	25	18.5 Å²	18.5	12%	0.116	10%	0.1	C	C	.	.	H	α-helix	trans	-68.2	-42.2	178.9	-81.1	-77.6	0	0	0	112.6	F87 G189 V190 K191 V208 S215 G217 M222 A223	F87-H219 AromaticContact CE1-CE1 3.74Å; F87-H219 AromaticContact CE1-ND1 3.6Å; G189-H219 PolarHBondContact O-CE1 3.22Å; G189-H219 VanDerWaalsContact O-CE1 3.32Å; V190-H219 WeakPolarHBondContact CA-ND1 3.34Å; V190-H219 HydrophobicContact CG1-CB 4.47Å; K191-H219 PolarHBondContact N-ND1 2.82Å; K191-H219 VanDerWaalsContact N-ND1 3.2Å; V208-H219 HydrophobicContact CG1-CB 3.55Å; S215-H219 WeakPolarHBondContact O-CB 3.26Å; S215-H219 PolarHBondContact O-CD2 2.97Å; S215-H219 PolarHBondContact O-N 2.67Å; G217-H219 PolarHBondContact O-N 3.15Å; H219-M222 PolarHBondContact O-N 3.35Å; H219-A223 WeakPolarHBondContact O-CB 3.09Å; H219-A223 PolarHBondContact O-N 3.2Å
220	L	98.9	Very high	98.8	Very high	0 Å²	0	18.5 Å²	18.5	0%	0	10%	0.099	C	C	.	.	H	α-helix	trans	-69.6	-42.7	-179.1	-178.4	61.5	0	0	0	112	I135 Q137 F206 V208 A216 G217 M222 A223 R224 P351	I135-L220 HydrophobicContact CB-CD2 4.26Å; I135-L220 HydrophobicContact CD1-CD2 3.97Å; I135-L220 HydrophobicContact CG2-CD2 3.76Å; Q137-L220 HydrophobicContact CB-CD1 3.88Å; Q137-L220 HydrophobicContact CG-CD1 4.24Å; F206-L220 HydrophobicContact CE2-CD1 3.79Å; F206-L220 HydrophobicContact CZ-CD1 4.05Å; V208-L220 HydrophobicContact CG2-CD1 4.18Å; A216-L220 PolarHBondContact O-N 3.49Å; A216-L220 VanDerWaalsContact O-N 3.11Å; G217-L220 PolarHBondContact O-N 3.41Å; L220-M222 VanDerWaalsContact C-N 3.32Å; L220-M222 PolarHBondContact O-N 3.27Å; L220-A223 WeakPolarHBondContact O-CB 3.23Å; L220-A223 PolarHBondContact O-N 3.37Å; L220-R224 HydrophobicContact CD1-CG 4.48Å; L220-R224 WeakPolarHBondContact O-CG 3.46Å; L220-R224 PolarHBondContact O-N 3.37Å; L220-P351 HydrophobicContact CB-CB 4.36Å; L220-P351 HydrophobicContact CB-CG 4.13Å; L220-P351 HydrophobicContact CD2-CB 3.78Å; L220-P351 HydrophobicContact CD2-CG 3.89Å; L220-P351 HydrophobicContact CG-CG 4.3Å
221	W	98.9	Very high	98.7	Very high	1 Å²	1	14.7 Å²	14.7	0%	0.004	7%	0.074	C	C	.	.	H	α-helix	trans	-61.4	-41.3	175.5	-82.4	119.9	0	0	0	112	I35 G39 L42 L100 G217 R224 F225 D350 P351 Y352	I35-W221 HydrophobicContact CD1-CD2 3.82Å; I35-W221 HydrophobicContact CD1-CG 4.1Å; I35-W221 HydrophobicContact CD1-CH2 4.45Å; I35-W221 HydrophobicContact CD1-CZ2 3.74Å; I35-W221 HydrophobicContact CG1-CD2 3.95Å; I35-W221 HydrophobicContact CG1-CE3 4.19Å; I35-W221 HydrophobicContact CG1-CG 4.46Å; I35-W221 HydrophobicContact CG1-CH2 4.29Å; I35-W221 HydrophobicContact CG1-CZ2 4.07Å; I35-W221 HydrophobicContact CG1-CZ3 4.35Å; I35-W221 HydrophobicContact CG2-CH2 4.23Å; I35-W221 HydrophobicContact CG2-CZ2 4.34Å; G39-W221 WeakPolarHBondContact O-CH2 3.39Å; L42-W221 HydrophobicContact CD1-CE3 4.04Å; L42-W221 HydrophobicContact CD1-CZ3 4.46Å; L42-W221 HydrophobicContact CD2-CE3 3.81Å; L42-W221 HydrophobicContact CD2-CZ3 4.32Å; L42-W221 HydrophobicContact CG-CE3 4Å; L42-W221 HydrophobicContact CG-CZ3 4.19Å; L100-W221 HydrophobicContact CD1-CB 4.39Å; L100-W221 HydrophobicContact CD2-CB 4.36Å; G217-W221 WeakPolarHBondContact O-CB 3.48Å; G217-W221 VanDerWaalsContact O-CD1 3.3Å; G217-W221 PolarHBondContact O-N 3.48Å; W221-R224 PolarHBondContact O-N 3.15Å; W221-F225 PolarHBondContact O-N 3.4Å; W221-D350 HydrophobicContact CZ2-CB 4.08Å; W221-D350 PolarHBondContact NE1-OD1 3.12Å; W221-P351 HydrophobicContact CG-CG 4.28Å; W221-Y352 AromaticContact CD1-CD2 3.73Å; W221-Y352 AromaticContact CD1-CE2 3.22Å; W221-Y352 AromaticContact CD1-CZ 3.76Å; W221-Y352 HydrophobicContact CG-CE2 4.36Å; W221-Y352 AromaticContact NE1-CD2 3.47Å; W221-Y352 AromaticContact NE1-CE2 3.44Å
222	M	98.9	Very high	98.6	Very high	0 Å²	0	20 Å²	20	0%	0	10%	0.099	C	C	.	.	H	α-helix	trans	-67.2	-37.3	174.6	-170.9	55.7	62.1	0	0	112.3	V33 F87 L98 L100 V190 D218 H219 L220 F225 I226	V33-M222 HydrophobicContact CB-CE 4.31Å; V33-M222 HydrophobicContact CG2-CE 4.26Å; F87-M222 HydrophobicContact CB-CG 4.38Å; F87-M222 HydrophobicContact CD1-CG 4.23Å; F87-M222 HydrophobicContact CD2-CB 4.12Å; F87-M222 HydrophobicContact CD2-CE 3.71Å; F87-M222 HydrophobicContact CD2-CG 3.6Å; F87-M222 HydrophobicContact CD2-SD 4.26Å; F87-M222 HydrophobicContact CE1-CB 4.49Å; F87-M222 HydrophobicContact CE1-CG 4.43Å; F87-M222 HydrophobicContact CE2-CB 3.79Å; F87-M222 HydrophobicContact CE2-CE 4.07Å; F87-M222 HydrophobicContact CE2-CG 3.82Å; F87-M222 HydrophobicContact CG-CG 3.8Å; F87-M222 HydrophobicContact CZ-CB 3.99Å; F87-M222 HydrophobicContact CZ-CG 4.23Å; L98-M222 HydrophobicContact CB-CE 3.87Å; L98-M222 HydrophobicContact CB-SD 3.83Å; L98-M222 HydrophobicContact CD1-SD 3.54Å; L98-M222 VanDerWaalsContact CD1-SD 3.54Å; L98-M222 HydrophobicContact CG-SD 4.33Å; L100-M222 HydrophobicContact CB-CE 4Å; V190-M222 HydrophobicContact CG2-CB 4.31Å; V190-M222 HydrophobicContact CG2-CG 4.04Å; D218-M222 WeakPolarHBondContact O-CB 3.49Å; D218-M222 PolarHBondContact O-N 2.92Å; D218-M222 VanDerWaalsContact O-N 3.15Å; H219-M222 PolarHBondContact O-N 3.35Å; L220-M222 VanDerWaalsContact C-N 3.32Å; L220-M222 PolarHBondContact O-N 3.27Å; M222-F225 WeakPolarHBondContact O-CB 3.39Å; M222-F225 PolarHBondContact O-N 2.92Å; M222-F225 HydrophobicContact SD-CB 4.24Å; M222-F225 HydrophobicContact SD-CD1 4Å; M222-F225 HydrophobicContact SD-CG 4.46Å; M222-I226 HydrophobicContact CG-CD1 4.18Å; M222-I226 WeakPolarHBondContact O-CG1 3.12Å; M222-I226 PolarHBondContact O-N 3.46Å
223	A	98.9	Very high	98.3	Very high	0 Å²	0	18.6 Å²	18.6	0%	0	9%	0.094	C	C	.	.	H	α-helix	trans	-62.2	-43.4	174.4	0	0	0	0	0	111.9	V190 F206 V208 H219 L220 I226 L227	V190-A223 HydrophobicContact CG1-CB 4.01Å; F206-A223 HydrophobicContact CD2-CB 4.38Å; F206-A223 HydrophobicContact CE2-CB 3.47Å; F206-A223 VanDerWaalsContact CE2-CB 3.47Å; F206-A223 HydrophobicContact CZ-CB 3.9Å; V208-A223 HydrophobicContact CG2-CB 4.07Å; H219-A223 WeakPolarHBondContact O-CB 3.09Å; H219-A223 PolarHBondContact O-N 3.2Å; L220-A223 WeakPolarHBondContact O-CB 3.23Å; L220-A223 PolarHBondContact O-N 3.37Å; A223-I226 PolarHBondContact O-N 3.08Å; A223-L227 WeakPolarHBondContact O-CB 3.08Å; A223-L227 PolarHBondContact O-N 3.4Å
224	R	98.9	Very high	98.1	Very high	2 Å²	2	22.8 Å²	22.8	1%	0.008	11%	0.11	C	C	.	.	H	α-helix	trans	-60.6	-43.3	173.7	-71.8	171.6	177.1	175.7	-3.1	111.6	L42 L220 W221 I226 L227 H228 L240 S347 C349	L42-R224 HydrophobicContact CD1-CB 4.07Å; L220-R224 HydrophobicContact CD1-CG 4.48Å; L220-R224 WeakPolarHBondContact O-CG 3.46Å; L220-R224 PolarHBondContact O-N 3.37Å; W221-R224 PolarHBondContact O-N 3.15Å; R224-I226 VanDerWaalsContact C-N 3.35Å; R224-I226 PolarHBondContact O-N 2.85Å; R224-L227 PolarHBondContact O-N 2.96Å; R224-H228 PolarHBondContact O-CD2 2.75Å; R224-H228 PolarHBondContact O-N 3.34Å; R224-L240 HydrophobicContact CG-CD1 4.1Å; R224-S347 PolarHBondContact NH2-O 2.78Å; R224-S347 VanDerWaalsContact NH2-O 3.15Å; R224-C349 VanDerWaalsContact CZ-O 3.28Å; R224-C349 PolarHBondContact NH1-O 2.96Å; R224-C349 PolarHBondContact NH2-O 3.4Å
225	F	98.9	Very high	97.9	Very high	8 Å²	8	23.1 Å²	23.1	4%	0.035	12%	0.118	C	C	.	.	H	α-helix	trans	-57	-49.6	174.5	-178.8	-104.2	0	0	0	111.5	M31 V33 L42 C44 F91 L98 W221 M222 L227 H228 R229	M31-F225 HydrophobicContact SD-CE1 3.78Å; M31-F225 HydrophobicContact SD-CZ 3.39Å; M31-F225 WeakPolarHBondContact SD-CZ 3.42Å; V33-F225 HydrophobicContact CB-CD2 4.5Å; V33-F225 HydrophobicContact CG1-CB 4.18Å; V33-F225 HydrophobicContact CG1-CD2 3.57Å; V33-F225 HydrophobicContact CG1-CE2 4.13Å; V33-F225 HydrophobicContact CG1-CG 3.82Å; V33-F225 HydrophobicContact CG2-CD1 4Å; V33-F225 HydrophobicContact CG2-CD2 4.07Å; V33-F225 HydrophobicContact CG2-CE1 3.89Å; V33-F225 HydrophobicContact CG2-CE2 3.97Å; V33-F225 HydrophobicContact CG2-CG 4.09Å; V33-F225 HydrophobicContact CG2-CZ 3.89Å; L42-F225 HydrophobicContact CB-CD2 4.28Å; L42-F225 HydrophobicContact CD1-CB 3.76Å; L42-F225 HydrophobicContact CD1-CD2 4.42Å; C44-F225 HydrophobicContact CB-CE2 3.76Å; C44-F225 HydrophobicContact CB-CZ 3.96Å; F91-F225 HydrophobicContact CE2-CE1 4.33Å; L98-F225 HydrophobicContact CD1-CD1 4.11Å; L98-F225 HydrophobicContact CD1-CE1 4.17Å; L98-F225 HydrophobicContact CD2-CE1 4.11Å; W221-F225 PolarHBondContact O-N 3.4Å; M222-F225 WeakPolarHBondContact O-CB 3.39Å; M222-F225 PolarHBondContact O-N 2.92Å; M222-F225 HydrophobicContact SD-CB 4.24Å; M222-F225 HydrophobicContact SD-CD1 4Å; M222-F225 HydrophobicContact SD-CG 4.46Å; F225-L227 VanDerWaalsContact C-N 3.33Å; F225-L227 PolarHBondContact O-N 3.45Å; F225-H228 PolarHBondContact O-N 2.9Å; F225-R229 HydrophobicContact CD1-CG 4.23Å; F225-R229 HydrophobicContact CE1-CG 3.68Å; F225-R229 HydrophobicContact CE2-CG 4Å; F225-R229 HydrophobicContact CZ-CG 3.53Å; F225-R229 WeakPolarHBondContact O-CG 3.43Å; F225-R229 PolarHBondContact O-N 2.99Å
226	I	98.9	Very high	97.8	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-62.1	-43	179.5	-68.5	168.7	0	0	0	110.4	P90 F91 L98 L181 A184 A188 V190 M222 A223 R224 H228 R229 V230	P90-I226 HydrophobicContact CG-CD1 4.38Å; P90-I226 HydrophobicContact CG-CG1 4.41Å; F91-I226 HydrophobicContact CE2-CG1 4.35Å; F91-I226 HydrophobicContact CZ-CB 4.3Å; F91-I226 HydrophobicContact CZ-CG1 4.32Å; F91-I226 HydrophobicContact CZ-CG2 4.01Å; L98-I226 HydrophobicContact CD1-CD1 4.44Å; L98-I226 HydrophobicContact CD1-CG1 4.18Å; L181-I226 HydrophobicContact CD1-CB 4.26Å; L181-I226 HydrophobicContact CD1-CG2 3.78Å; A184-I226 HydrophobicContact CB-CG2 3.5Å; A188-I226 HydrophobicContact CB-CD1 3.74Å; V190-I226 HydrophobicContact CG2-CD1 4.04Å; M222-I226 HydrophobicContact CG-CD1 4.18Å; M222-I226 WeakPolarHBondContact O-CG1 3.12Å; M222-I226 PolarHBondContact O-N 3.46Å; A223-I226 PolarHBondContact O-N 3.08Å; R224-I226 VanDerWaalsContact C-N 3.35Å; R224-I226 PolarHBondContact O-N 2.85Å; I226-H228 PolarHBondContact O-N 3.21Å; I226-R229 PolarHBondContact O-N 3.04Å; I226-V230 HydrophobicContact CG2-CG2 4.15Å; I226-V230 WeakPolarHBondContact O-CB 3.32Å; I226-V230 VanDerWaalsContact O-CG2 3.28Å; I226-V230 WeakPolarHBondContact O-CG2 3.47Å; I226-V230 PolarHBondContact O-N 2.97Å
227	L	98.9	Very high	97.7	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-57.4	-49.4	176.2	168.9	58.1	0	0	0	111.9	Y139 I177 L181 F206 A223 R224 F225 R229 V230 A231 V238	Y139-L227 HydrophobicContact CD1-CD2 4Å; Y139-L227 HydrophobicContact CD2-CD1 4.2Å; Y139-L227 HydrophobicContact CD2-CD2 3.76Å; Y139-L227 HydrophobicContact CE1-CD2 4.22Å; Y139-L227 HydrophobicContact CE2-CD1 3.67Å; Y139-L227 HydrophobicContact CE2-CD2 3.92Å; Y139-L227 HydrophobicContact CE2-CG 4.47Å; Y139-L227 HydrophobicContact CG-CD2 3.77Å; I177-L227 HydrophobicContact CG2-CD1 3.91Å; L181-L227 HydrophobicContact CD1-CB 3.91Å; L181-L227 HydrophobicContact CD2-CB 4.2Å; L181-L227 HydrophobicContact CD2-CD1 4.15Å; F206-L227 HydrophobicContact CE1-CD2 3.82Å; A223-L227 WeakPolarHBondContact O-CB 3.08Å; A223-L227 PolarHBondContact O-N 3.4Å; R224-L227 PolarHBondContact O-N 2.96Å; F225-L227 VanDerWaalsContact C-N 3.33Å; F225-L227 PolarHBondContact O-N 3.45Å; L227-R229 VanDerWaalsContact C-N 3.35Å; L227-R229 PolarHBondContact O-N 3.03Å; L227-V230 PolarHBondContact O-N 2.81Å; L227-A231 WeakPolarHBondContact O-CB 3.47Å; L227-A231 PolarHBondContact O-N 2.67Å; L227-V238 HydrophobicContact CD1-CG2 3.74Å; L227-V238 HydrophobicContact CD2-CG1 3.65Å; L227-V238 HydrophobicContact CD2-CG2 4.34Å; L227-V238 HydrophobicContact CG-CB 4.44Å; L227-V238 HydrophobicContact CG-CG1 3.94Å; L227-V238 HydrophobicContact CG-CG2 3.82Å
228	H	98.7	Very high	97.7	Very high	67 Å²	67	26.5 Å²	26.5	31%	0.31	13%	0.134	S	C	.	.	H	α-helix	trans	-61.6	-42.6	177.6	-76.8	-66.4	0	0	0	112.2	R224 F225 I226 A231 E232	R224-H228 PolarHBondContact O-CD2 2.75Å; R224-H228 PolarHBondContact O-N 3.34Å; F225-H228 PolarHBondContact O-N 2.9Å; I226-H228 PolarHBondContact O-N 3.21Å; H228-A231 PolarHBondContact O-N 2.87Å; H228-E232 WeakPolarHBondContact O-CB 3.33Å; H228-E232 PolarHBondContact O-N 2.83Å
229	R	98.4	Very high	97.7	Very high	44 Å²	44	27 Å²	27	17%	0.166	14%	0.139	C	C	.	.	H	α-helix	trans	-65.3	-40.5	177.4	-75.9	-65.3	-55.1	143.3	10.9	113	F91 F225 I226 L227 E232 D233	F91-R229 HydrophobicContact CD1-CB 4.43Å; F91-R229 HydrophobicContact CD2-CB 4.49Å; F91-R229 HydrophobicContact CE1-CB 3.63Å; F91-R229 HydrophobicContact CE2-CB 3.69Å; F91-R229 HydrophobicContact CE2-CG 3.98Å; F91-R229 HydrophobicContact CZ-CB 3.21Å; F91-R229 HydrophobicContact CZ-CG 4.02Å; F225-R229 HydrophobicContact CD1-CG 4.23Å; F225-R229 HydrophobicContact CE1-CG 3.68Å; F225-R229 HydrophobicContact CE2-CG 4Å; F225-R229 HydrophobicContact CZ-CG 3.53Å; F225-R229 WeakPolarHBondContact O-CG 3.43Å; F225-R229 PolarHBondContact O-N 2.99Å; I226-R229 PolarHBondContact O-N 3.04Å; L227-R229 VanDerWaalsContact C-N 3.35Å; L227-R229 PolarHBondContact O-N 3.03Å; R229-E232 IonicContact CZ-OE1 3.7Å; R229-E232 IonicContact CZ-OE2 3.52Å; R229-E232 IonicContact NH1-OE1 3.85Å; R229-E232 PolarHBondContact NH1-OE1 3.31Å; R229-E232 IonicContact NH1-OE2 2.7Å; R229-E232 PolarHBondContact NH1-OE2 3.28Å; R229-E232 WeakPolarHBondContact O-CB 3.47Å; R229-E232 PolarHBondContact O-N 2.84Å; R229-D233 PolarHBondContact O-N 2.97Å
230	V	98.2	Very high	97.7	Very high	6 Å²	6	26.8 Å²	26.8	4%	0.036	14%	0.138	C	C	.	.	H	α-helix	trans	-62.6	-50.8	173.4	167.6	0	0	0	0	109.7	F91 I177 A180 A184 I226 L227 E232 D233 F234	F91-V230 HydrophobicContact CE1-CG2 3.97Å; F91-V230 HydrophobicContact CZ-CG2 4.44Å; I177-V230 HydrophobicContact CG2-CG1 4.2Å; A180-V230 HydrophobicContact CB-CG1 3.67Å; A184-V230 HydrophobicContact CB-CG2 4.41Å; I226-V230 HydrophobicContact CG2-CG2 4.15Å; I226-V230 WeakPolarHBondContact O-CB 3.32Å; I226-V230 VanDerWaalsContact O-CG2 3.28Å; I226-V230 WeakPolarHBondContact O-CG2 3.47Å; I226-V230 PolarHBondContact O-N 2.97Å; L227-V230 PolarHBondContact O-N 2.81Å; V230-E232 VanDerWaalsContact C-N 3.26Å; V230-E232 PolarHBondContact O-N 2.83Å; V230-D233 WeakPolarHBondContact O-CB 3.38Å; V230-D233 PolarHBondContact O-N 3.28Å; V230-F234 HydrophobicContact CG1-CD2 4.12Å; V230-F234 HydrophobicContact CG1-CE2 3.91Å; V230-F234 VanDerWaalsContact O-CD2 3.24Å; V230-F234 WeakPolarHBondContact O-CD2 3.47Å; V230-F234 PolarHBondContact O-N 3.3Å
231	A	97.3	Very high	97.7	Very high	1 Å²	1	28.8 Å²	28.8	1%	0.008	15%	0.149	C	C	.	.	H	α-helix	trans	-61.6	-34.2	-179.1	0	0	0	0	0	112.7	L227 H228 D233 F234 G235 V236 V238	L227-A231 WeakPolarHBondContact O-CB 3.47Å; L227-A231 PolarHBondContact O-N 2.67Å; H228-A231 PolarHBondContact O-N 2.87Å; A231-D233 VanDerWaalsContact C-N 3.28Å; A231-D233 PolarHBondContact O-N 2.72Å; A231-F234 CarbonylContact O-C 3.56Å; A231-F234 PolarHBondContact O-N 3.03Å; A231-F234 VanDerWaalsContact O-N 3.07Å; A231-G235 PolarHBondContact O-N 2.73Å; A231-V236 CarbonylContact C-O 3.44Å; A231-V236 HydrophobicContact CB-CB 4.49Å; A231-V236 WeakPolarHBondContact CB-O 3.27Å; A231-V236 PolarHBondContact O-N 3.13Å; A231-V238 HydrophobicContact CB-CG2 3.47Å; A231-V238 VanDerWaalsContact CB-CG2 3.47Å
232	E	95.6	Very high	97.6	Very high	111 Å²	111	28.8 Å²	28.8	52%	0.519	15%	0.149	S	C	.	.	H	α-helix	trans	-58.6	-38.2	171.8	-167.4	-166.9	115.6	0	0	112.1	H228 R229 V230 F234 G235	H228-E232 WeakPolarHBondContact O-CB 3.33Å; H228-E232 PolarHBondContact O-N 2.83Å; R229-E232 IonicContact CZ-OE1 3.7Å; R229-E232 IonicContact CZ-OE2 3.52Å; R229-E232 IonicContact NH1-OE1 3.85Å; R229-E232 PolarHBondContact NH1-OE1 3.31Å; R229-E232 IonicContact NH1-OE2 2.7Å; R229-E232 PolarHBondContact NH1-OE2 3.28Å; R229-E232 WeakPolarHBondContact O-CB 3.47Å; R229-E232 PolarHBondContact O-N 2.84Å; V230-E232 VanDerWaalsContact C-N 3.26Å; V230-E232 PolarHBondContact O-N 2.83Å; E232-F234 PolarHBondContact O-N 2.95Å; E232-G235 PolarHBondContact O-N 3.3Å
233	D	94.1	Very high	97.6	Very high	55 Å²	55	29.9 Å²	29.9	29%	0.294	15%	0.154	S	C	.	.	H	α-helix	trans	-64.9	-29.1	176.3	-71.6	-23.1	0	0	0	112.7	K12 R229 V230 A231	K12-D233 WeakPolarHBondContact CE-OD1 3.37Å; K12-D233 IonicContact NZ-OD1 2.74Å; K12-D233 PolarHBondContact NZ-OD1 3.28Å; R229-D233 PolarHBondContact O-N 2.97Å; V230-D233 WeakPolarHBondContact O-CB 3.38Å; V230-D233 PolarHBondContact O-N 3.28Å; A231-D233 VanDerWaalsContact C-N 3.28Å; A231-D233 PolarHBondContact O-N 2.72Å
234	F	94	Very high	97.4	Very high	95 Å²	95	31.2 Å²	31.2	42%	0.417	16%	0.162	S	C	.	.	H	α-helix	trans	-93.4	-3.2	176.7	-67.3	-82.5	0	0	0	113.9	D176 I177 A180 V230 A231 E232 V236	D176-F234 HydrophobicContact CB-CE1 3.82Å; D176-F234 HydrophobicContact CB-CZ 4.03Å; I177-F234 HydrophobicContact CD1-CB 4.25Å; I177-F234 HydrophobicContact CG1-CB 4.19Å; I177-F234 HydrophobicContact CG1-CD2 3.73Å; I177-F234 HydrophobicContact CG1-CE2 4.33Å; I177-F234 HydrophobicContact CG1-CG 3.99Å; A180-F234 HydrophobicContact CB-CE2 4.12Å; A180-F234 HydrophobicContact CB-CZ 4.46Å; V230-F234 HydrophobicContact CG1-CD2 4.12Å; V230-F234 HydrophobicContact CG1-CE2 3.91Å; V230-F234 VanDerWaalsContact O-CD2 3.24Å; V230-F234 WeakPolarHBondContact O-CD2 3.47Å; V230-F234 PolarHBondContact O-N 3.3Å; A231-F234 CarbonylContact O-C 3.56Å; A231-F234 PolarHBondContact O-N 3.03Å; A231-F234 VanDerWaalsContact O-N 3.07Å; E232-F234 PolarHBondContact O-N 2.95Å; F234-V236 VanDerWaalsContact C-N 3.32Å; F234-V236 HydrophobicContact CB-CG2 4.25Å
235	G	94.2	Very high	97.2	Very high	29 Å²	29	32.1 Å²	32.1	30%	0.299	17%	0.167	S	C	.	.	T	Hydrogen-bonded Turn	trans	66.6	31.4	-176.5	0	0	0	0	0	113.6	I144 A231 E232	I144-G235 VanDerWaalsContact CG2-O 3.29Å; I144-G235 WeakPolarHBondContact CG2-O 3.33Å; A231-G235 PolarHBondContact O-N 2.73Å; E232-G235 PolarHBondContact O-N 3.3Å
236	V	96.4	Very high	96.9	Very high	18 Å²	18	36.4 Å²	36.4	11%	0.109	20%	0.196	C	C	.	.			trans	-113.4	141.5	-178.3	173	0	0	0	0	109.5	L141 L142 L149 I177 A231 F234	L141-V236 HydrophobicContact CB-CG1 3.96Å; L141-V236 HydrophobicContact CD2-CG1 3.97Å; L141-V236 HydrophobicContact CG-CG1 4.46Å; L142-V236 WeakPolarHBondContact O-CG1 3.4Å; L149-V236 HydrophobicContact CD1-CG2 4Å; L149-V236 HydrophobicContact CD2-CG1 4.1Å; L149-V236 HydrophobicContact CD2-CG2 4.15Å; I177-V236 HydrophobicContact CD1-CB 3.68Å; I177-V236 HydrophobicContact CD1-CG1 3.68Å; I177-V236 HydrophobicContact CD1-CG2 3.8Å; A231-V236 CarbonylContact C-O 3.44Å; A231-V236 HydrophobicContact CB-CB 4.49Å; A231-V236 WeakPolarHBondContact CB-O 3.27Å; A231-V236 PolarHBondContact O-N 3.13Å; F234-V236 VanDerWaalsContact C-N 3.32Å; F234-V236 HydrophobicContact CB-CG2 4.25Å
237	I	97.8	Very high	96.7	Very high	72 Å²	72	39 Å²	39	37%	0.369	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	136.9	174.3	-65.2	174.9	0	0	0	108.7	L142	L142-I237 HydrophobicContact CB-CB 4.11Å; L142-I237 HydrophobicContact CB-CG2 4.38Å; L142-I237 HydrophobicContact CD1-CG2 4.31Å; L142-I237 PolarHBondContact N-O 2.82Å; L142-I237 PolarHBondContact O-N 3.06Å
238	V	98.6	Very high	96.4	Very high	12 Å²	12	44.4 Å²	44.4	7%	0.073	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	128.5	171.3	168.4	0	0	0	0	108.2	Y139 L141 L227 A231 L240	Y139-V238 HydrophobicContact CD2-CG1 4.18Å; L141-V238 HydrophobicContact CD2-CG2 4.1Å; L227-V238 HydrophobicContact CD1-CG2 3.74Å; L227-V238 HydrophobicContact CD2-CG1 3.65Å; L227-V238 HydrophobicContact CD2-CG2 4.34Å; L227-V238 HydrophobicContact CG-CB 4.44Å; L227-V238 HydrophobicContact CG-CG1 3.94Å; L227-V238 HydrophobicContact CG-CG2 3.82Å; A231-V238 HydrophobicContact CB-CG2 3.47Å; A231-V238 VanDerWaalsContact CB-CG2 3.47Å; V238-L240 HydrophobicContact CG1-CD2 4.21Å
239	S	98.4	Very high	96.3	Very high	21 Å²	21	42.2 Å²	42.2	15%	0.147	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	124.9	171.9	-175.9	0	0	0	0	110.7	A140 D241	A140-S239 PolarHBondContact N-O 2.75Å; A140-S239 PolarHBondContact O-N 3.12Å; S239-D241 VanDerWaalsContact C-N 3.33Å; S239-D241 VanDerWaalsContact OG-CB 3.26Å; S239-D241 WeakPolarHBondContact OG-CB 3.32Å; S239-D241 PolarHBondContact OG-N 3.06Å
240	L	98.6	Very high	96.2	Very high	20 Å²	20	41 Å²	41	11%	0.105	24%	0.236	C	C	.	.			trans	-94.6	9.4	167.8	-56.6	-174.3	0	0	0	111.7	R224 V238 S347 N348	R224-L240 HydrophobicContact CG-CD1 4.1Å; V238-L240 HydrophobicContact CG1-CD2 4.21Å; L240-S347 CarbonylContact O-C 3.55Å; L240-S347 WeakPolarHBondContact O-CB 3.34Å; L240-S347 PolarHBondContact O-OG 3.07Å; L240-N348 HydrophobicContact CB-CB 4.09Å; L240-N348 VanDerWaalsContact O-CB 3.29Å; L240-N348 WeakPolarHBondContact O-CB 3.39Å; L240-N348 PolarHBondContact O-N 2.85Å; L240-N348 VanDerWaalsContact O-N 3.07Å
241	D	98.4	Very high	96.2	Very high	43 Å²	43	41.1 Å²	41.1	23%	0.23	24%	0.24	C	C	.	.			trans	-59.2	132.9	176.1	-175.1	-77.4	0	0	0	110.4	S239 K243 P244 R301 S347	S239-D241 VanDerWaalsContact C-N 3.33Å; S239-D241 VanDerWaalsContact OG-CB 3.26Å; S239-D241 WeakPolarHBondContact OG-CB 3.32Å; S239-D241 PolarHBondContact OG-N 3.06Å; D241-K243 PolarHBondContact O-N 3.24Å; D241-K243 WeakPolarHBondContact OD1-CA 3.45Å; D241-K243 PolarHBondContact OD1-N 2.78Å; D241-K243 VanDerWaalsContact OD1-O 3.12Å; D241-P244 WeakPolarHBondContact O-CD 3.4Å; D241-R301 IonicContact OD1-CZ 3.82Å; D241-R301 IonicContact OD1-NH1 2.67Å; D241-R301 PolarHBondContact OD1-NH1 2.82Å; D241-R301 IonicContact OD1-NH2 3.64Å; D241-R301 PolarHBondContact OD1-NH2 3.41Å; D241-R301 IonicContact OD2-CZ 2.76Å; D241-R301 IonicContact OD2-NH1 3.5Å; D241-R301 PolarHBondContact OD2-NH1 3.01Å; D241-R301 IonicContact OD2-NH2 2.74Å; D241-R301 PolarHBondContact OD2-NH2 3.44Å; D241-S347 PolarHBondContact O-OG 3.14Å
242	P	98.2	Very high	96.2	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	24%	0.239	C	C	.	.	S	Bend	trans	-71	-10.7	-175.5	26	-33.6	0	0	0	114.5	G251 S252 D298 R302 S347	P242-G251 CarbonylContact O-C 3.57Å; P242-G251 WeakPolarHBondContact O-CA 3.49Å; P242-S252 WeakPolarHBondContact CA-O 3.44Å; P242-S252 PolarHBondContact O-N 3.23Å; P242-D298 HydrophobicContact CG-CB 3.81Å; P242-D298 WeakPolarHBondContact CG-O 3.29Å; P242-R302 HydrophobicContact CB-CB 4.1Å; P242-R302 WeakPolarHBondContact O-CD 3.19Å; P242-S347 WeakPolarHBondContact CA-OG 3.4Å
243	K	97.8	Very high	96.3	Very high	24 Å²	24	35.8 Å²	35.8	10%	0.104	21%	0.214	C	C	.	.			trans	-146.4	72.3	175.3	-168.7	70.2	173.9	-171.5	0	109.3	D241 M245 G247 W249 R301	D241-K243 PolarHBondContact O-N 3.24Å; D241-K243 WeakPolarHBondContact OD1-CA 3.45Å; D241-K243 PolarHBondContact OD1-N 2.78Å; D241-K243 VanDerWaalsContact OD1-O 3.12Å; K243-M245 WeakPolarHBondContact CE-O 3.39Å; K243-M245 PolarHBondContact O-N 2.82Å; K243-G247 PolarHBondContact NZ-O 3.44Å; K243-W249 PolarHBondContact NZ-O 3.2Å; K243-R301 HydrophobicContact CB-CB 3.79Å; K243-R301 HydrophobicContact CG-CB 4.23Å; K243-R301 PolarHBondContact O-NH1 3.39Å
244	P	95.6	Very high	96.6	Very high	28 Å²	28	33.2 Å²	33.2	18%	0.182	20%	0.2	C	C	.	.	S	Bend	trans	-68.3	-23.6	-170.7	28.4	-34.4	0	0	0	112.7	A140 M200 D241	A140-P244 HydrophobicContact CB-CB 3.98Å; A140-P244 HydrophobicContact CB-CG 3.75Å; M200-P244 HydrophobicContact CE-CG 3.84Å; M200-P244 HydrophobicContact SD-CG 4.41Å; D241-P244 WeakPolarHBondContact O-CD 3.4Å
245	M	94.9	Very high	96.8	Very high	21 Å²	21	29.1 Å²	29.1	10%	0.103	18%	0.183	C	C	.	.	S	Bend	trans	-127.4	125	172.9	-172.5	57.9	62.2	0	0	110	Y147 P148 W151 F156 M200 K243 W249	Y147-M245 HydrophobicContact CE2-CE 4.19Å; P148-M245 VanDerWaalsContact CD-CE 3.44Å; P148-M245 HydrophobicContact CG-CE 3.38Å; W151-M245 HydrophobicContact CH2-CG 4.1Å; W151-M245 HydrophobicContact CZ3-CE 4.15Å; W151-M245 HydrophobicContact CZ3-CG 4.1Å; F156-M245 HydrophobicContact CE1-SD 4.3Å; M200-M245 HydrophobicContact SD-CB 4.11Å; K243-M245 WeakPolarHBondContact CE-O 3.39Å; K243-M245 PolarHBondContact O-N 2.82Å; M245-W249 HydrophobicContact CB-CB 4.28Å; M245-W249 HydrophobicContact CB-CG 4.37Å; M245-W249 HydrophobicContact CG-CB 4.43Å; M245-W249 VanDerWaalsContact CG-CD1 3.44Å; M245-W249 HydrophobicContact CG-CG 4.02Å
246	P	92.7	Very high	97	Very high	98 Å²	98	27.8 Å²	27.8	64%	0.636	17%	0.169	S	C	*	.			trans	-68	161	174.3	28.1	-36.1	0	0	0	112.3
247	G	92.9	Very high	97.1	Very high	53 Å²	53	28.1 Å²	28.1	55%	0.546	17%	0.17	S	C	.	.	S	Bend	trans	88.9	-149.2	177.1	0	0	0	0	0	113.9	K243 W249	K243-G247 PolarHBondContact NZ-O 3.44Å; G247-W249 PolarHBondContact O-N 3.21Å
248	N	94.6	Very high	97.2	Very high	115 Å²	115	24.7 Å²	24.7	62%	0.615	15%	0.152	S	C	*	.	S	Bend	trans	-80.8	49.8	-171.5	-168.8	25.3	0	0	0	113.1	Q160 H307	Q160-N248 PolarHBondContact NE2-O 3.14Å; N248-H307 PolarHBondContact OD1-CE1 2.8Å
249	W	95.8	Very high	97.2	Very high	21 Å²	21	24.6 Å²	24.6	8%	0.08	15%	0.152	C	C	.	.	S	Bend	trans	-126.8	142.9	176.6	-59.5	105.2	0	0	0	108.7	W151 F156 P157 Q160 M200 P201 K243 M245 G247	W151-W249 AromaticContact CH2-CD2 3.63Å; W151-W249 HydrophobicContact CH2-CD2 3.63Å; W151-W249 AromaticContact CH2-CE2 3.69Å; W151-W249 AromaticContact CH2-CE3 3.87Å; W151-W249 HydrophobicContact CH2-CE3 3.87Å; W151-W249 HydrophobicContact CH2-CG 4.1Å; W151-W249 HydrophobicContact CH2-CH2 4.27Å; W151-W249 HydrophobicContact CH2-CZ2 4.04Å; W151-W249 HydrophobicContact CH2-CZ3 4.18Å; W151-W249 HydrophobicContact CZ2-CD2 4.47Å; W151-W249 HydrophobicContact CZ2-CE3 4.31Å; W151-W249 HydrophobicContact CZ2-CZ3 4.47Å; W151-W249 HydrophobicContact CZ3-CD2 4.4Å; W151-W249 HydrophobicContact CZ3-CZ2 4.19Å; F156-W249 HydrophobicContact CB-CZ2 4.03Å; F156-W249 AromaticContact CD1-CE2 3.92Å; F156-W249 AromaticContact CD1-CZ2 3.79Å; F156-W249 HydrophobicContact CD1-CZ2 3.79Å; F156-W249 AromaticContact CD1-NE1 3.55Å; F156-W249 AromaticContact CE1-NE1 3.72Å; F156-W249 HydrophobicContact CG-CZ2 4.28Å; P157-W249 HydrophobicContact CG-CH2 3.83Å; P157-W249 HydrophobicContact CG-CZ3 4.29Å; Q160-W249 HydrophobicContact CG-CD2 4.47Å; Q160-W249 HydrophobicContact CG-CE3 3.39Å; Q160-W249 HydrophobicContact CG-CZ3 3.51Å; M200-W249 HydrophobicContact CG-CB 4.28Å; M200-W249 HydrophobicContact CG-CE3 4.1Å; M200-W249 HydrophobicContact SD-CB 4.06Å; P201-W249 HydrophobicContact CG-CZ3 4.07Å; K243-W249 PolarHBondContact NZ-O 3.2Å; M245-W249 HydrophobicContact CB-CB 4.28Å; M245-W249 HydrophobicContact CB-CG 4.37Å; M245-W249 HydrophobicContact CG-CB 4.43Å; M245-W249 VanDerWaalsContact CG-CD1 3.44Å; M245-W249 HydrophobicContact CG-CG 4.02Å; G247-W249 PolarHBondContact O-N 3.21Å
250	N	96.6	Very high	97.2	Very high	17 Å²	17	24 Å²	24	9%	0.091	15%	0.148	C	C	.	.			trans	-60.4	150.1	179.8	-82.4	40.5	0	0	0	111.3	Q160 V199	Q160-N250 PolarHBondContact NE2-OD1 2.86Å; Q160-N250 PolarHBondContact OE1-OD1 3.41Å; V199-N250 HydrophobicContact CB-CB 4.19Å; V199-N250 WeakPolarHBondContact CB-ND2 3.43Å; V199-N250 HydrophobicContact CG1-CB 4.49Å
251	G	97.1	Very high	97.2	Very high	10 Å²	10	27.3 Å²	27.3	10%	0.103	17%	0.165	C	C	.	.			trans	-85.2	178	167.2	0	0	0	0	0	110.9	Q203 P242	Q203-G251 PolarHBondContact NE2-O 2.59Å; P242-G251 CarbonylContact O-C 3.57Å; P242-G251 WeakPolarHBondContact O-CA 3.49Å
252	S	98.2	Very high	97.2	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	17%	0.173	C	C	.	.			trans	-109.6	122	177.8	-61	0	0	0	0	111	E138 Q203 P242 R302 S347	E138-S252 WeakPolarHBondContact OE2-CA 3.07Å; Q203-S252 PolarHBondContact NE2-OG 2.61Å; P242-S252 WeakPolarHBondContact CA-O 3.44Å; P242-S252 PolarHBondContact O-N 3.23Å; S252-R302 WeakPolarHBondContact O-CD 3.41Å; S252-R302 PolarHBondContact O-NE 3.05Å; S252-S347 VanDerWaalsContact CB-CB 3.5Å; S252-S347 WeakPolarHBondContact CB-OG 3.49Å; S252-S347 WeakPolarHBondContact O-CB 3.27Å; S252-S347 PolarHBondContact O-N 3.37Å; S252-S347 PolarHBondContact O-OG 3.42Å
253	G	98.2	Very high	97.2	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	17%	0.174	C	C	.	.	B	Isolated β-bridge	trans	-100.6	170.9	176.8	0	0	0	0	0	114.7	E138 S347	E138-G253 WeakPolarHBondContact CB-O 3.42Å; E138-G253 PolarHBondContact N-O 2.93Å; E138-G253 VanDerWaalsContact N-O 3.11Å; E138-G253 PolarHBondContact OE2-N 3.34Å; G253-S347 WeakPolarHBondContact O-CB 3.21Å
254	A	98.8	Very high	97.3	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	61.4	162.5	0	0	0	0	0	110.1	I135 E136 T256 P345 S346	I135-A254 HydrophobicContact CG2-CB 4.22Å; E136-A254 CarbonylContact O-C 3.27Å; E136-A254 WeakPolarHBondContact O-CA 3.39Å; A254-T256 PolarHBondContact O-N 3.21Å; A254-T256 PolarHBondContact O-OG1 2.87Å; A254-T256 VanDerWaalsContact O-OG1 3.07Å; A254-P345 HydrophobicContact CB-CB 4.18Å; A254-P345 PolarHBondContact N-O 3.5Å; A254-P345 WeakPolarHBondContact O-CB 3.46Å; A254-S346 WeakPolarHBondContact CB-O 3.37Å
255	H	98.7	Very high	97.4	Very high	10 Å²	10	30.6 Å²	30.6	5%	0.046	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-56.7	130.2	-172.6	-49.2	138	0	0	0	110.1	I135 E136 E138 E341 D342 R343	I135-H255 WeakPolarHBondContact CA-O 3.32Å; E136-H255 HydrophobicContact CB-CB 4.05Å; E136-H255 HydrophobicContact CG-CB 4.43Å; E136-H255 PolarHBondContact N-O 3.2Å; E136-H255 PolarHBondContact O-N 3.03Å; E136-H255 WeakPolarHBondContact OE2-CB 3.27Å; E136-H255 IonicContact OE2-CG 3.91Å; E136-H255 IonicContact OE2-ND1 2.85Å; E136-H255 PolarHBondContact OE2-ND1 3.11Å; E138-H255 IonicContact OE1-CE1 3.71Å; E138-H255 PolarHBondContact OE1-CE1 3.46Å; E138-H255 IonicContact OE1-NE2 3.39Å; H255-E341 HydrophobicContact CB-CG 4.13Å; H255-E341 IonicContact CG-OE1 2.75Å; H255-E341 IonicContact ND1-OE1 3.95Å; H255-D342 WeakPolarHBondContact CA-O 3.28Å; H255-R343 PolarHBondContact CE1-NH1 3.49Å; H255-R343 VanDerWaalsContact CE1-NH1 3.35Å; H255-R343 PolarHBondContact CE1-NH2 3.35Å; H255-R343 PolarHBondContact ND1-NH1 2.81Å
256	T	98.9	Very high	97.5	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	103.2	-172.5	-60.7	0	0	0	0	109.7	F133 I135 A254 D342 V354 L358	F133-T256 HydrophobicContact CD1-CG2 4.04Å; I135-T256 HydrophobicContact CG1-CG2 4.17Å; A254-T256 PolarHBondContact O-N 3.21Å; A254-T256 PolarHBondContact O-OG1 2.87Å; A254-T256 VanDerWaalsContact O-OG1 3.07Å; T256-D342 PolarHBondContact N-O 3.46Å; T256-D342 PolarHBondContact O-N 3.31Å; T256-V354 HydrophobicContact CG2-CG1 4.28Å; T256-L358 HydrophobicContact CG2-CD1 3.57Å
257	N	98.8	Very high	97.7	Very high	25 Å²	25	39 Å²	39	13%	0.134	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.8	128.5	168.7	-61.4	-67.7	0	0	0	109.1	F133 G134 E136 Y339 L340 E341	F133-N257 CarbonylContact C-O 3.12Å; F133-N257 WeakPolarHBondContact CA-O 3.11Å; G134-N257 PolarHBondContact N-O 3.01Å; G134-N257 WeakPolarHBondContact O-CA 3.34Å; G134-N257 VanDerWaalsContact O-CB 3.32Å; G134-N257 WeakPolarHBondContact O-CB 3.46Å; G134-N257 PolarHBondContact O-N 3.01Å; G134-N257 PolarHBondContact O-ND2 3.1Å; E136-N257 PolarHBondContact OE1-ND2 2.96Å; N257-Y339 HydrophobicContact CB-CD2 3.85Å; N257-Y339 HydrophobicContact CB-CE2 4.12Å; N257-Y339 WeakPolarHBondContact OD1-CD2 3.43Å; N257-Y339 WeakPolarHBondContact OD1-CE2 3.06Å; N257-L340 CarbonylContact C-O 3.55Å; N257-L340 VanDerWaalsContact CA-O 3.3Å; N257-L340 WeakPolarHBondContact CA-O 3.47Å; N257-E341 WeakPolarHBondContact OD1-CB 3.43Å
258	Y	98.9	Very high	97.9	Very high	1 Å²	1	38.7 Å²	38.7	0%	0.004	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	133.9	-173.3	171.4	-124.2	0	0	0	111.9	P131 W132 F133 T260 M263 Y339 L340 L358 V359 T362 C363	P131-Y258 HydrophobicContact CB-CE2 3.85Å; W132-Y258 WeakPolarHBondContact O-CA 3.22Å; F133-Y258 AromaticContact CD1-CD2 3.76Å; F133-Y258 HydrophobicContact CD1-CD2 3.76Å; F133-Y258 HydrophobicContact CD1-CG 4.42Å; F133-Y258 AromaticContact CE1-CD2 3.28Å; F133-Y258 HydrophobicContact CE1-CD2 3.28Å; F133-Y258 AromaticContact CE1-CE2 3.77Å; F133-Y258 HydrophobicContact CE1-CE2 3.77Å; F133-Y258 HydrophobicContact CE1-CG 4.08Å; F133-Y258 AromaticContact CZ-CD2 3.87Å; F133-Y258 HydrophobicContact CZ-CD2 3.87Å; F133-Y258 AromaticContact CZ-CE2 3.91Å; F133-Y258 HydrophobicContact CZ-CE2 3.91Å; Y258-T260 HydrophobicContact CE2-CG2 4.28Å; Y258-T260 VanDerWaalsContact OH-CG2 3.26Å; Y258-T260 WeakPolarHBondContact OH-CG2 3.45Å; Y258-M263 HydrophobicContact CE1-CE 4.07Å; Y258-Y339 WeakPolarHBondContact O-CA 3.18Å; Y258-Y339 WeakPolarHBondContact O-CB 3.12Å; Y258-L340 HydrophobicContact CD1-CD1 4.3Å; Y258-L340 HydrophobicContact CD1-CD2 4.36Å; Y258-L340 HydrophobicContact CD1-CG 4.33Å; Y258-L340 PolarHBondContact N-O 3.46Å; Y258-L340 PolarHBondContact O-N 3.48Å; Y258-L358 HydrophobicContact CD1-CB 4.42Å; Y258-L358 HydrophobicContact CD1-CD2 4.49Å; Y258-L358 HydrophobicContact CE1-CB 4.5Å; Y258-L358 HydrophobicContact CG-CD1 4.41Å; Y258-V359 HydrophobicContact CE2-CG2 4.12Å; Y258-T362 HydrophobicContact CE1-CG2 4.07Å; Y258-T362 VanDerWaalsContact CE1-OG1 3.28Å; Y258-T362 WeakPolarHBondContact CE1-OG1 3.36Å; Y258-T362 PolarHBondContact OH-OG1 3.25Å; Y258-C363 PolarHBondContact OH-SG 3.34Å; Y258-C363 VanDerWaalsContact OH-SG 3.39Å
259	S	98.9	Very high	98.1	Very high	9 Å²	9	33.2 Å²	33.2	6%	0.063	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.5	149.7	170.9	63.6	0	0	0	0	112.9	P131 W132 R264 G338	P131-S259 CarbonylContact C-O 3.52Å; P131-S259 WeakPolarHBondContact CA-O 3.42Å; W132-S259 PolarHBondContact N-O 3.01Å; W132-S259 PolarHBondContact O-N 2.91Å; S259-R264 PolarHBondContact O-NH1 2.94Å; S259-R264 VanDerWaalsContact O-NH1 3.14Å; S259-R264 PolarHBondContact OG-NH1 3.37Å; S259-G338 WeakPolarHBondContact CB-O 3.45Å
260	T	98.9	Very high	98.2	Very high	9 Å²	9	34.2 Å²	34.2	6%	0.055	19%	0.188	C	C	.	.			trans	-105.1	171.1	164	62.6	0	0	0	0	110.3	H129 Y258 A262 M263 R264	H129-T260 HydrophobicContact CB-CG2 4.12Å; H129-T260 CarbonylContact O-C 3.57Å; H129-T260 WeakPolarHBondContact O-CA 3.15Å; H129-T260 WeakPolarHBondContact O-CB 3.35Å; Y258-T260 HydrophobicContact CE2-CG2 4.28Å; Y258-T260 VanDerWaalsContact OH-CG2 3.26Å; Y258-T260 WeakPolarHBondContact OH-CG2 3.45Å; T260-A262 PolarHBondContact O-N 3.34Å; T260-M263 HydrophobicContact CG2-CE 4.49Å; T260-M263 HydrophobicContact CG2-SD 4.44Å; T260-M263 PolarHBondContact N-SD 3.17Å; T260-M263 VanDerWaalsContact N-SD 3.41Å; T260-M263 PolarHBondContact O-N 3.06Å; T260-M263 VanDerWaalsContact O-N 3.09Å; T260-M263 WeakPolarHBondContact OG1-CG 3.45Å; T260-M263 PolarHBondContact OG1-N 2.96Å; T260-R264 VanDerWaalsContact C-NH1 3.33Å; T260-R264 WeakPolarHBondContact O-CG 3.27Å; T260-R264 PolarHBondContact O-N 3.16Å; T260-R264 PolarHBondContact O-NH1 3.2Å
261	L	98.5	Very high	98.3	Very high	89 Å²	89	40 Å²	40	47%	0.466	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52	-41	172.7	-176.2	63.8	0	0	0	112	H129 Q130 R264 D265	H129-L261 PolarHBondContact O-N 3.45Å; Q130-L261 HydrophobicContact CB-CB 4.48Å; L261-R264 PolarHBondContact O-N 3.47Å; L261-D265 PolarHBondContact O-N 2.86Å
262	A	98.6	Very high	98.4	Very high	49 Å²	49	40.8 Å²	40.8	41%	0.405	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.8	-38.5	178.4	0	0	0	0	0	112.7	T260 R264 D265 G269 A272	T260-A262 PolarHBondContact O-N 3.34Å; A262-R264 PolarHBondContact O-N 3.16Å; A262-D265 WeakPolarHBondContact O-CB 3.05Å; A262-D265 PolarHBondContact O-N 3.28Å; A262-G269 WeakPolarHBondContact O-CA 3.4Å; A262-A272 HydrophobicContact CB-CB 4.11Å
263	M	98.8	Very high	98.4	Very high	4 Å²	4	40.8 Å²	40.8	2%	0.02	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68	-26.7	178	-65.3	172.2	178.5	0	0	112.8	Y258 T260 D265 G269 A272 I273 A276 G338 L340	Y258-M263 HydrophobicContact CE1-CE 4.07Å; T260-M263 HydrophobicContact CG2-CE 4.49Å; T260-M263 HydrophobicContact CG2-SD 4.44Å; T260-M263 PolarHBondContact N-SD 3.17Å; T260-M263 VanDerWaalsContact N-SD 3.41Å; T260-M263 PolarHBondContact O-N 3.06Å; T260-M263 VanDerWaalsContact O-N 3.09Å; T260-M263 WeakPolarHBondContact OG1-CG 3.45Å; T260-M263 PolarHBondContact OG1-N 2.96Å; M263-D265 VanDerWaalsContact C-N 3.34Å; M263-G269 WeakPolarHBondContact O-CA 3.26Å; M263-A272 HydrophobicContact CG-CB 3.99Å; M263-I273 HydrophobicContact CB-CD1 4.44Å; M263-I273 HydrophobicContact CB-CG1 3.88Å; M263-I273 HydrophobicContact CG-CG1 3.78Å; M263-I273 HydrophobicContact SD-CG1 4.18Å; M263-A276 HydrophobicContact CE-CB 3.18Å; M263-G338 CarbonylContact C-O 3.48Å; M263-G338 PolarHBondContact O-N 2.99Å; M263-L340 HydrophobicContact CE-CD2 4.44Å
264	R	98.7	Very high	98.4	Very high	48 Å²	48	45.7 Å²	45.7	18%	0.181	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.7	-5.2	178.3	-62.8	-173	-64.2	-91.6	6	113.1	Q130 S259 T260 L261 A262 P266	Q130-R264 PolarHBondContact O-NH1 3.31Å; Q130-R264 PolarHBondContact O-NH2 2.88Å; S259-R264 PolarHBondContact O-NH1 2.94Å; S259-R264 VanDerWaalsContact O-NH1 3.14Å; S259-R264 PolarHBondContact OG-NH1 3.37Å; T260-R264 VanDerWaalsContact C-NH1 3.33Å; T260-R264 WeakPolarHBondContact O-CG 3.27Å; T260-R264 PolarHBondContact O-N 3.16Å; T260-R264 PolarHBondContact O-NH1 3.2Å; L261-R264 PolarHBondContact O-N 3.47Å; A262-R264 PolarHBondContact O-N 3.16Å; R264-P266 WeakPolarHBondContact O-CD 3.44Å
265	D	98.2	Very high	98.4	Very high	64 Å²	64	51.3 Å²	51.3	34%	0.342	27%	0.269	S	S	.	.			trans	-71	120.8	178.1	-169.9	-53.2	0	0	0	110.7	L261 A262 M263 K267 S268 G269 C337	L261-D265 PolarHBondContact O-N 2.86Å; A262-D265 WeakPolarHBondContact O-CB 3.05Å; A262-D265 PolarHBondContact O-N 3.28Å; M263-D265 VanDerWaalsContact C-N 3.34Å; D265-K267 PolarHBondContact O-N 3.07Å; D265-K267 VanDerWaalsContact OD1-CB 3.31Å; D265-K267 WeakPolarHBondContact OD1-CB 3.38Å; D265-K267 PolarHBondContact OD1-N 3.18Å; D265-S268 PolarHBondContact O-N 3.49Å; D265-G269 VanDerWaalsContact O-CA 3.26Å; D265-G269 WeakPolarHBondContact O-CA 3.49Å; D265-G269 PolarHBondContact O-N 2.97Å; D265-C337 WeakPolarHBondContact O-CB 3.37Å
266	P	97.7	Very high	98.4	Very high	100 Å²	100	51 Å²	51	65%	0.649	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.7	-16.3	179.9	-24.9	35.3	0	0	0	116.1	R264	R264-P266 WeakPolarHBondContact O-CD 3.44Å
267	K	96.5	Very high	98.4	Very high	196 Å²	196	51.5 Å²	51.5	85%	0.852	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.1	-31	-177	-61	178.4	179.8	175.6	0	113.3	D265	D265-K267 PolarHBondContact O-N 3.07Å; D265-K267 VanDerWaalsContact OD1-CB 3.31Å; D265-K267 WeakPolarHBondContact OD1-CB 3.38Å; D265-K267 PolarHBondContact OD1-N 3.18Å
268	S	97.1	Very high	98.4	Very high	46 Å²	46	55.3 Å²	55.3	32%	0.322	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	-137.7	3.8	-170.8	58.9	0	0	0	0	114.2	D265 L270 Q271 A272	D265-S268 PolarHBondContact O-N 3.49Å; S268-L270 VanDerWaalsContact C-N 3.35Å; S268-L270 PolarHBondContact O-N 3.04Å; S268-Q271 WeakPolarHBondContact O-CB 3.45Å; S268-Q271 PolarHBondContact O-N 3.35Å; S268-Q271 VanDerWaalsContact O-N 3.13Å; S268-A272 PolarHBondContact O-N 3.41Å
269	G	98.4	Very high	98.3	Very high	0 Å²	0	58.2 Å²	58.2	0%	0	30%	0.3	C	S	.	.	H	α-helix	trans	-58.3	-42	-171.5	0	0	0	0	0	114.1	A262 M263 D265 Q271 A272 I273 G336	A262-G269 WeakPolarHBondContact O-CA 3.4Å; M263-G269 WeakPolarHBondContact O-CA 3.26Å; D265-G269 VanDerWaalsContact O-CA 3.26Å; D265-G269 WeakPolarHBondContact O-CA 3.49Å; D265-G269 PolarHBondContact O-N 2.97Å; G269-Q271 PolarHBondContact O-N 3.45Å; G269-A272 PolarHBondContact O-N 3.32Å; G269-I273 WeakPolarHBondContact O-CG1 3.43Å; G269-I273 PolarHBondContact O-N 2.88Å; G269-G336 CarbonylContact C-O 3.58Å; G269-G336 PolarHBondContact N-O 3.4Å
270	L	98	Very high	98.3	Very high	42 Å²	42	57.8 Å²	57.8	22%	0.22	30%	0.297	C	S	.	.	H	α-helix	trans	-64.2	-41.1	178.4	-174.1	61.8	0	0	0	112	S268 A272 I273 E274 I328 G336	S268-L270 VanDerWaalsContact C-N 3.35Å; S268-L270 PolarHBondContact O-N 3.04Å; L270-A272 VanDerWaalsContact C-N 3.33Å; L270-A272 PolarHBondContact O-N 3.21Å; L270-I273 WeakPolarHBondContact O-CB 3.35Å; L270-I273 PolarHBondContact O-N 3.4Å; L270-I273 VanDerWaalsContact O-N 3.16Å; L270-E274 WeakPolarHBondContact O-CG 3.38Å; L270-E274 PolarHBondContact O-N 3.34Å; L270-I328 HydrophobicContact CD1-CD1 4.4Å; L270-I328 HydrophobicContact CD1-CG2 4.32Å; L270-G336 WeakPolarHBondContact CB-O 3.18Å; L270-G336 PolarHBondContact N-O 3.07Å
271	Q	98.3	Very high	98.3	Very high	139 Å²	139	59 Å²	59	65%	0.65	31%	0.306	S	S	*	.	H	α-helix	trans	-64.1	-39.7	175.7	-65.9	175.9	-3.2	0	0	111.3	S268 G269 I273 E274 H275	S268-Q271 WeakPolarHBondContact O-CB 3.45Å; S268-Q271 PolarHBondContact O-N 3.35Å; S268-Q271 VanDerWaalsContact O-N 3.13Å; G269-Q271 PolarHBondContact O-N 3.45Å; Q271-I273 VanDerWaalsContact C-N 3.3Å; Q271-I273 PolarHBondContact O-N 2.9Å; Q271-E274 PolarHBondContact O-N 3.13Å; Q271-H275 WeakPolarHBondContact O-CB 3.17Å; Q271-H275 PolarHBondContact O-N 2.89Å
272	A	98.6	Very high	98.3	Very high	25 Å²	25	61 Å²	61	21%	0.207	31%	0.313	C	S	.	.	H	α-helix	trans	-64.9	-34.7	174.9	0	0	0	0	0	112.2	A262 M263 S268 G269 L270 A276	A262-A272 HydrophobicContact CB-CB 4.11Å; M263-A272 HydrophobicContact CG-CB 3.99Å; S268-A272 PolarHBondContact O-N 3.41Å; G269-A272 PolarHBondContact O-N 3.32Å; L270-A272 VanDerWaalsContact C-N 3.33Å; L270-A272 PolarHBondContact O-N 3.21Å; A272-A276 PolarHBondContact O-N 2.93Å; A272-A276 VanDerWaalsContact O-N 3.15Å
273	I	98.8	Very high	98.2	Very high	0 Å²	0	62 Å²	62	0%	0	31%	0.308	C	S	.	.	H	α-helix	trans	-66.9	-49.7	173.5	-71.4	165.7	0	0	0	110.7	M263 G269 L270 Q271 H275 A276 I277 I328 V332 L340	M263-I273 HydrophobicContact CB-CD1 4.44Å; M263-I273 HydrophobicContact CB-CG1 3.88Å; M263-I273 HydrophobicContact CG-CG1 3.78Å; M263-I273 HydrophobicContact SD-CG1 4.18Å; G269-I273 WeakPolarHBondContact O-CG1 3.43Å; G269-I273 PolarHBondContact O-N 2.88Å; L270-I273 WeakPolarHBondContact O-CB 3.35Å; L270-I273 PolarHBondContact O-N 3.4Å; L270-I273 VanDerWaalsContact O-N 3.16Å; Q271-I273 VanDerWaalsContact C-N 3.3Å; Q271-I273 PolarHBondContact O-N 2.9Å; I273-H275 VanDerWaalsContact C-N 3.31Å; I273-H275 PolarHBondContact O-N 2.74Å; I273-A276 WeakPolarHBondContact O-CB 3.42Å; I273-A276 PolarHBondContact O-N 3Å; I273-A276 VanDerWaalsContact O-N 3.12Å; I273-I277 HydrophobicContact CG2-CD1 3.8Å; I273-I277 HydrophobicContact CG2-CG1 4.43Å; I273-I277 WeakPolarHBondContact O-CG1 3.4Å; I273-I277 PolarHBondContact O-N 2.8Å; I273-I328 HydrophobicContact CG2-CD1 4.02Å; I273-I328 HydrophobicContact CG2-CG1 4.07Å; I273-V332 HydrophobicContact CD1-CG1 3.54Å; I273-L340 HydrophobicContact CG2-CB 4.04Å
274	E	98.4	Very high	98.2	Very high	104 Å²	104	62.5 Å²	62.5	49%	0.486	31%	0.31	S	S	.	.	H	α-helix	trans	-58.8	-43	178.9	-71.7	169.8	165.9	0	0	111.5	L270 Q271 A276 I277 E278	L270-E274 WeakPolarHBondContact O-CG 3.38Å; L270-E274 PolarHBondContact O-N 3.34Å; Q271-E274 PolarHBondContact O-N 3.13Å; E274-A276 VanDerWaalsContact C-N 3.34Å; E274-A276 PolarHBondContact O-N 3.14Å; E274-I277 PolarHBondContact O-N 2.82Å; E274-E278 PolarHBondContact O-N 3.08Å
275	H	98.5	Very high	98.1	Very high	117 Å²	117	64.6 Å²	64.6	54%	0.542	32%	0.323	S	S	.	.	H	α-helix	trans	-62.1	-39.5	175.1	-172.8	67.6	0	0	0	112.9	Q271 I273 E278 K279	Q271-H275 WeakPolarHBondContact O-CB 3.17Å; Q271-H275 PolarHBondContact O-N 2.89Å; I273-H275 VanDerWaalsContact C-N 3.31Å; I273-H275 PolarHBondContact O-N 2.74Å; H275-E278 PolarHBondContact O-N 3.21Å; H275-K279 VanDerWaalsContact NE2-CE 3.29Å; H275-K279 WeakPolarHBondContact NE2-CE 3.33Å; H275-K279 WeakPolarHBondContact O-CG 3.5Å; H275-K279 PolarHBondContact O-N 3.32Å
276	A	98.8	Very high	98.1	Very high	4 Å²	4	65.8 Å²	65.8	3%	0.033	33%	0.327	C	S	.	.	H	α-helix	trans	-67.3	-39.2	175.3	0	0	0	0	0	112.1	M263 A272 I273 E274 E278 K279 L280 L340 T362	M263-A276 HydrophobicContact CE-CB 3.18Å; A272-A276 PolarHBondContact O-N 2.93Å; A272-A276 VanDerWaalsContact O-N 3.15Å; I273-A276 WeakPolarHBondContact O-CB 3.42Å; I273-A276 PolarHBondContact O-N 3Å; I273-A276 VanDerWaalsContact O-N 3.12Å; E274-A276 VanDerWaalsContact C-N 3.34Å; E274-A276 PolarHBondContact O-N 3.14Å; A276-E278 VanDerWaalsContact C-N 3.33Å; A276-E278 PolarHBondContact O-N 3.37Å; A276-K279 PolarHBondContact O-N 3.25Å; A276-L280 VanDerWaalsContact O-CG 3.23Å; A276-L280 WeakPolarHBondContact O-CG 3.21Å; A276-L280 PolarHBondContact O-N 2.97Å; A276-L340 HydrophobicContact CB-CD2 4.15Å; A276-T362 HydrophobicContact CB-CG2 3.8Å
277	I	98.7	Very high	98.2	Very high	10 Å²	10	61 Å²	61	5%	0.051	30%	0.296	C	S	.	.	H	α-helix	trans	-61.3	-42.7	175.4	-69.9	171.4	0	0	0	110.9	I273 E274 K279 L280 S281 F315 S317 I326 I328 L340	I273-I277 HydrophobicContact CG2-CD1 3.8Å; I273-I277 HydrophobicContact CG2-CG1 4.43Å; I273-I277 WeakPolarHBondContact O-CG1 3.4Å; I273-I277 PolarHBondContact O-N 2.8Å; E274-I277 PolarHBondContact O-N 2.82Å; I277-K279 PolarHBondContact O-N 2.94Å; I277-L280 PolarHBondContact O-N 3.37Å; I277-S281 PolarHBondContact O-N 2.95Å; I277-F315 HydrophobicContact CG2-CE1 3.92Å; I277-F315 HydrophobicContact CG2-CZ 4.08Å; I277-S317 WeakPolarHBondContact CG2-OG 3.1Å; I277-I326 HydrophobicContact CD1-CG2 3.93Å; I277-I326 HydrophobicContact CG1-CG2 3.87Å; I277-I328 HydrophobicContact CD1-CD1 3.69Å; I277-I328 HydrophobicContact CD1-CG1 3.76Å; I277-L340 HydrophobicContact CG1-CD2 4.07Å
278	E	98.5	Very high	98.3	Very high	105 Å²	105	51.8 Å²	51.8	49%	0.491	26%	0.256	S	S	.	.	H	α-helix	trans	-59.1	-49	176.4	-177.8	62	-170.1	0	0	111.1	E274 H275 A276 L280 S281 H282	E274-E278 PolarHBondContact O-N 3.08Å; H275-E278 PolarHBondContact O-N 3.21Å; A276-E278 VanDerWaalsContact C-N 3.33Å; A276-E278 PolarHBondContact O-N 3.37Å; E278-L280 VanDerWaalsContact C-N 3.31Å; E278-L280 PolarHBondContact O-N 3.32Å; E278-S281 WeakPolarHBondContact O-CB 3.32Å; E278-S281 PolarHBondContact O-N 3.18Å; E278-S281 VanDerWaalsContact O-N 3.09Å; E278-S281 PolarHBondContact O-OG 3.41Å; E278-H282 PolarHBondContact O-CD2 3.23Å; E278-H282 PolarHBondContact O-N 2.93Å; E278-H282 IonicContact OE1-CE1 2.94Å; E278-H282 PolarHBondContact OE1-CE1 3.44Å; E278-H282 IonicContact OE1-NE2 3.34Å; E278-H282 PolarHBondContact OE1-NE2 3.18Å
279	K	98.7	Very high	98.3	Very high	62 Å²	62	54.5 Å²	54.5	27%	0.27	26%	0.263	S	S	.	.	H	α-helix	trans	-58.4	-41.7	175.6	-68.4	-173.5	-179.3	-170	0	112.7	H275 A276 I277 S281 H282 T361 T362	H275-K279 VanDerWaalsContact NE2-CE 3.29Å; H275-K279 WeakPolarHBondContact NE2-CE 3.33Å; H275-K279 WeakPolarHBondContact O-CG 3.5Å; H275-K279 PolarHBondContact O-N 3.32Å; A276-K279 PolarHBondContact O-N 3.25Å; I277-K279 PolarHBondContact O-N 2.94Å; K279-S281 VanDerWaalsContact C-N 3.27Å; K279-S281 PolarHBondContact O-N 3.31Å; K279-H282 PolarHBondContact O-N 2.63Å; K279-T361 HydrophobicContact CB-CG2 4.16Å; K279-T361 VanDerWaalsContact CD-O 3.27Å; K279-T361 WeakPolarHBondContact CD-O 3.45Å; K279-T362 PolarHBondContact NZ-O 3.22Å
280	L	98.7	Very high	98.3	Very high	0 Å²	0	55.2 Å²	55.2	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-64.4	-32.3	177.6	-70.6	168.9	0	0	0	112.3	A276 I277 E278 H282 K283 H284 H287 F315 I326 L340 L358 T361 T362	A276-L280 VanDerWaalsContact O-CG 3.23Å; A276-L280 WeakPolarHBondContact O-CG 3.21Å; A276-L280 PolarHBondContact O-N 2.97Å; I277-L280 PolarHBondContact O-N 3.37Å; E278-L280 VanDerWaalsContact C-N 3.31Å; E278-L280 PolarHBondContact O-N 3.32Å; L280-H282 VanDerWaalsContact C-N 3.29Å; L280-H282 PolarHBondContact O-N 2.93Å; L280-K283 CarbonylContact O-C 3.59Å; L280-K283 PolarHBondContact O-N 2.77Å; L280-H284 PolarHBondContact O-N 2.9Å; L280-H287 WeakPolarHBondContact CD2-CE1 3.4Å; L280-F315 HydrophobicContact CB-CE2 3.87Å; L280-F315 HydrophobicContact CB-CZ 3.87Å; L280-I326 HydrophobicContact CD1-CD1 4.21Å; L280-L340 HydrophobicContact CD1-CD2 4.2Å; L280-L358 HydrophobicContact CD1-CD2 4.3Å; L280-L358 HydrophobicContact CD2-CD2 3.9Å; L280-T361 HydrophobicContact CD2-CG2 3.92Å; L280-T361 HydrophobicContact CG-CG2 4.44Å; L280-T362 HydrophobicContact CD1-CG2 4.37Å; L280-T362 HydrophobicContact CD2-CG2 4.13Å; L280-T362 HydrophobicContact CG-CG2 4.01Å
281	S	98.1	Very high	98.3	Very high	34 Å²	34	53.2 Å²	53.2	24%	0.238	26%	0.258	C	S	.	.	H	α-helix	trans	-62.7	-37.2	178.2	85	0	0	0	0	112.1	I277 E278 K279 K283 F315	I277-S281 PolarHBondContact O-N 2.95Å; E278-S281 WeakPolarHBondContact O-CB 3.32Å; E278-S281 PolarHBondContact O-N 3.18Å; E278-S281 VanDerWaalsContact O-N 3.09Å; E278-S281 PolarHBondContact O-OG 3.41Å; K279-S281 VanDerWaalsContact C-N 3.27Å; K279-S281 PolarHBondContact O-N 3.31Å; S281-K283 VanDerWaalsContact C-N 3.27Å; S281-K283 PolarHBondContact O-N 2.88Å; S281-F315 VanDerWaalsContact CB-CD1 3.42Å; S281-F315 VanDerWaalsContact CB-CE1 3.49Å
282	H	98	Very high	98.3	Very high	131 Å²	131	46.7 Å²	46.7	61%	0.606	23%	0.227	S	C	*	.	H	α-helix	trans	-73.1	-17.4	-180	-57.6	-38.2	0	0	0	113.8	E278 K279 L280	E278-H282 PolarHBondContact O-CD2 3.23Å; E278-H282 PolarHBondContact O-N 2.93Å; E278-H282 IonicContact OE1-CE1 2.94Å; E278-H282 PolarHBondContact OE1-CE1 3.44Å; E278-H282 IonicContact OE1-NE2 3.34Å; E278-H282 PolarHBondContact OE1-NE2 3.18Å; K279-H282 PolarHBondContact O-N 2.63Å; L280-H282 VanDerWaalsContact C-N 3.29Å; L280-H282 PolarHBondContact O-N 2.93Å
283	K	97.9	Very high	98.2	Very high	72 Å²	72	47 Å²	47	31%	0.313	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-118.7	24.3	-178.3	-68.8	-167.9	165.8	-165	0	113.1	L280 S281 M285 E286 H287 T361	L280-K283 CarbonylContact O-C 3.59Å; L280-K283 PolarHBondContact O-N 2.77Å; S281-K283 VanDerWaalsContact C-N 3.27Å; S281-K283 PolarHBondContact O-N 2.88Å; K283-M285 PolarHBondContact O-N 2.74Å; K283-E286 HydrophobicContact CB-CB 4.39Å; K283-E286 WeakPolarHBondContact CD-OE2 3.3Å; K283-E286 IonicContact NZ-OE2 3.2Å; K283-E286 PolarHBondContact O-N 3.06Å; K283-H287 PolarHBondContact O-CD2 2.9Å; K283-H287 PolarHBondContact O-N 3.17Å; K283-T361 HydrophobicContact CB-CG2 4.28Å; K283-T361 HydrophobicContact CD-CG2 3.93Å; K283-T361 WeakPolarHBondContact CD-OG1 3.42Å; K283-T361 HydrophobicContact CG-CG2 4.39Å
284	H	97.9	Very high	98.2	Very high	13 Å²	13	51.2 Å²	51.2	6%	0.06	25%	0.245	C	C	.	.	H	α-helix	trans	-51.6	-51.9	-175	177.6	74.5	0	0	0	113.1	L280 H287 I288 I312 F315 R344	L280-H284 PolarHBondContact O-N 2.9Å; H284-H287 WeakPolarHBondContact O-CB 3.47Å; H284-H287 PolarHBondContact O-N 3.21Å; H284-I288 WeakPolarHBondContact O-CG1 3.38Å; H284-I288 PolarHBondContact O-N 3.02Å; H284-I312 PolarHBondContact NE2-O 3.23Å; H284-F315 HydrophobicContact CB-CB 4.04Å; H284-F315 HydrophobicContact CB-CD2 4.08Å; H284-F315 HydrophobicContact CB-CG 4.48Å; H284-F315 AromaticContact ND1-CD2 3.55Å; H284-R344 PolarHBondContact ND1-NH1 3.48Å
285	M	97.5	Very high	98.1	Very high	92 Å²	92	52.7 Å²	52.7	45%	0.453	25%	0.252	S	S	.	.	H	α-helix	trans	-69.6	-35.2	-177.5	-65.5	-52	-59.4	0	0	113.4	K283 H287 I288 Q289	K283-M285 PolarHBondContact O-N 2.74Å; M285-H287 VanDerWaalsContact C-N 3.27Å; M285-H287 PolarHBondContact O-N 3.08Å; M285-I288 PolarHBondContact O-N 3.44Å; M285-Q289 WeakPolarHBondContact O-CG 3.4Å; M285-Q289 PolarHBondContact O-N 3.46Å
286	E	98.2	Very high	98.1	Very high	89 Å²	89	47.4 Å²	47.4	42%	0.416	23%	0.229	S	C	.	.	H	α-helix	trans	-61.4	-39.1	174	-65.6	174.9	-148	0	0	111	K283 C290 M357	K283-E286 HydrophobicContact CB-CB 4.39Å; K283-E286 WeakPolarHBondContact CD-OE2 3.3Å; K283-E286 IonicContact NZ-OE2 3.2Å; K283-E286 PolarHBondContact O-N 3.06Å; E286-C290 PolarHBondContact O-SG 2.87Å; E286-M357 HydrophobicContact CB-CE 4.07Å
287	H	98.6	Very high	98	Very high	0 Å²	0	52.6 Å²	52.6	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-66.3	-47.8	173.9	-80.1	-117.5	0	0	0	111.6	L280 K283 H284 M285 Q289 C290 Y291 M357 T361	L280-H287 WeakPolarHBondContact CD2-CE1 3.4Å; K283-H287 PolarHBondContact O-CD2 2.9Å; K283-H287 PolarHBondContact O-N 3.17Å; H284-H287 WeakPolarHBondContact O-CB 3.47Å; H284-H287 PolarHBondContact O-N 3.21Å; M285-H287 VanDerWaalsContact C-N 3.27Å; M285-H287 PolarHBondContact O-N 3.08Å; H287-Q289 VanDerWaalsContact C-N 3.25Å; H287-Q289 PolarHBondContact O-N 2.85Å; H287-C290 CarbonylContact O-C 3.57Å; H287-C290 WeakPolarHBondContact O-CA 3.25Å; H287-C290 PolarHBondContact O-N 2.78Å; H287-Y291 HydrophobicContact CB-CD2 4.36Å; H287-Y291 HydrophobicContact CB-CE1 4.16Å; H287-Y291 HydrophobicContact CB-CE2 3.86Å; H287-Y291 AromaticContact ND1-CE1 3.96Å; H287-Y291 AromaticContact ND1-CZ 3.43Å; H287-Y291 PolarHBondContact ND1-OH 3.15Å; H287-Y291 WeakPolarHBondContact O-CB 3.33Å; H287-Y291 WeakPolarHBondContact O-CD1 3.42Å; H287-Y291 PolarHBondContact O-N 2.82Å; H287-M357 PolarHBondContact CE1-O 3.45Å; H287-T361 WeakPolarHBondContact NE2-CB 3.34Å; H287-T361 PolarHBondContact NE2-OG1 3.27Å
288	I	98.4	Very high	97.9	Very high	3 Å²	3	52.7 Å²	52.7	2%	0.015	26%	0.256	C	S	.	.	H	α-helix	trans	-55.4	-41.4	178	-67.4	-59.5	0	0	0	111.5	H284 M285 C290 Y291 L303 I312 R344	H284-I288 WeakPolarHBondContact O-CG1 3.38Å; H284-I288 PolarHBondContact O-N 3.02Å; M285-I288 PolarHBondContact O-N 3.44Å; I288-C290 PolarHBondContact O-N 3.35Å; I288-C290 VanDerWaalsContact O-N 3.17Å; I288-Y291 HydrophobicContact CD1-CD2 4.45Å; I288-Y291 PolarHBondContact O-N 2.97Å; I288-Y291 VanDerWaalsContact O-N 3.08Å; I288-L303 HydrophobicContact CD1-CD1 3.93Å; I288-I312 HydrophobicContact CD1-CG1 4.32Å; I288-I312 HydrophobicContact CG1-CG1 4.43Å; I288-I312 HydrophobicContact CG2-CD1 3.85Å; I288-I312 HydrophobicContact CG2-CG1 3.82Å; I288-R344 HydrophobicContact CD1-CB 4.21Å
289	Q	97.9	Very high	97.9	Very high	103 Å²	103	47.7 Å²	47.7	48%	0.481	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.5	-17.8	176.1	-72.8	176.3	-14.4	0	0	114.6	M285 H287 H295	M285-Q289 WeakPolarHBondContact O-CG 3.4Å; M285-Q289 PolarHBondContact O-N 3.46Å; H287-Q289 VanDerWaalsContact C-N 3.25Å; H287-Q289 PolarHBondContact O-N 2.85Å; Q289-H295 WeakPolarHBondContact O-CA 3.36Å; Q289-H295 PolarHBondContact O-ND1 3.49Å
290	C	97.8	Very high	97.8	Very high	15 Å²	15	50.2 Å²	50.2	10%	0.101	25%	0.246	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105.7	-2.7	176.8	-64.3	0	0	0	0	113	E286 H287 I288 M353 M357	E286-C290 PolarHBondContact O-SG 2.87Å; H287-C290 CarbonylContact O-C 3.57Å; H287-C290 WeakPolarHBondContact O-CA 3.25Å; H287-C290 PolarHBondContact O-N 2.78Å; I288-C290 PolarHBondContact O-N 3.35Å; I288-C290 VanDerWaalsContact O-N 3.17Å; C290-M353 HydrophobicContact CB-CB 4.42Å; C290-M353 HydrophobicContact CB-CE 3.92Å; C290-M357 HydrophobicContact CB-CG 3.75Å
291	Y	98.5	Very high	97.7	Very high	0 Å²	0	54.6 Å²	54.6	0%	0	26%	0.262	C	S	.	.	S	Bend	trans	-97.4	3.1	-170.4	-79.6	7.1	0	0	0	113.7	H287 I288 D342 R344 P345 S346 C349 V354	H287-Y291 HydrophobicContact CB-CD2 4.36Å; H287-Y291 HydrophobicContact CB-CE1 4.16Å; H287-Y291 HydrophobicContact CB-CE2 3.86Å; H287-Y291 AromaticContact ND1-CE1 3.96Å; H287-Y291 AromaticContact ND1-CZ 3.43Å; H287-Y291 PolarHBondContact ND1-OH 3.15Å; H287-Y291 WeakPolarHBondContact O-CB 3.33Å; H287-Y291 WeakPolarHBondContact O-CD1 3.42Å; H287-Y291 PolarHBondContact O-N 2.82Å; I288-Y291 HydrophobicContact CD1-CD2 4.45Å; I288-Y291 PolarHBondContact O-N 2.97Å; I288-Y291 VanDerWaalsContact O-N 3.08Å; Y291-D342 PolarHBondContact OH-OD2 3.46Å; Y291-R344 HydrophobicContact CD2-CB 3.59Å; Y291-R344 HydrophobicContact CE2-CB 3.69Å; Y291-P345 HydrophobicContact CD1-CG 4.41Å; Y291-P345 HydrophobicContact CD2-CB 4.47Å; Y291-P345 HydrophobicContact CD2-CG 3.98Å; Y291-P345 HydrophobicContact CE1-CG 4.36Å; Y291-P345 HydrophobicContact CE2-CG 3.93Å; Y291-P345 HydrophobicContact CG-CB 4.37Å; Y291-P345 HydrophobicContact CG-CG 4.21Å; Y291-S346 WeakPolarHBondContact O-CB 3.34Å; Y291-S346 PolarHBondContact O-N 3.41Å; Y291-S346 PolarHBondContact O-OG 2.89Å; Y291-C349 WeakPolarHBondContact O-CB 3.47Å; Y291-V354 HydrophobicContact CD1-CB 4.46Å; Y291-V354 HydrophobicContact CD1-CG1 4.45Å; Y291-V354 HydrophobicContact CD1-CG2 3.81Å; Y291-V354 HydrophobicContact CE1-CB 4.19Å; Y291-V354 HydrophobicContact CE1-CG1 3.9Å; Y291-V354 HydrophobicContact CE1-CG2 4.04Å
292	D	98.3	Very high	97.7	Very high	1 Å²	1	53.4 Å²	53.4	1%	0.005	25%	0.253	C	S	.	.	S	Bend	trans	-152.4	159.6	156.9	64.4	76.6	0	0	0	109.9	K294 H295 G296 D298 N299 S346	D292-K294 PolarHBondContact O-N 3.32Å; D292-K294 VanDerWaalsContact O-N 3.14Å; D292-K294 WeakPolarHBondContact OD1-CA 3.45Å; D292-K294 WeakPolarHBondContact OD1-CB 3.49Å; D292-K294 PolarHBondContact OD1-N 2.81Å; D292-H295 PolarHBondContact O-N 3.45Å; D292-H295 PolarHBondContact OD1-N 3.19Å; D292-H295 VanDerWaalsContact OD1-N 3.07Å; D292-G296 VanDerWaalsContact CG-N 3.29Å; D292-G296 PolarHBondContact OD1-N 3.41Å; D292-G296 WeakPolarHBondContact OD2-CA 3.17Å; D292-G296 PolarHBondContact OD2-N 3.45Å; D292-D298 HydrophobicContact CB-CB 4.13Å; D292-N299 WeakPolarHBondContact OD2-CB 3.3Å; D292-N299 PolarHBondContact OD2-N 2.73Å; D292-S346 VanDerWaalsContact CB-OG 3.27Å; D292-S346 WeakPolarHBondContact CB-OG 3.46Å
293	P	97.1	Very high	97.6	Very high	31 Å²	31	47.5 Å²	47.5	20%	0.201	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.7	-9.1	-178.3	-28.5	43.3	0	0	0	114.9	E40 N348	E40-P293 HydrophobicContact CG-CB 3.89Å; E40-P293 HydrophobicContact CG-CG 3.55Å; P293-N348 VanDerWaalsContact CD-O 3.32Å; P293-N348 WeakPolarHBondContact CD-O 3.36Å; P293-N348 WeakPolarHBondContact CG-O 3.46Å
294	K	97.8	Very high	97.4	Very high	89 Å²	89	47.6 Å²	47.6	39%	0.387	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-109	28.7	176.5	-56.1	-164.3	-166.7	96.6	0	112.3	E40 D292 G296 L297 D298	E40-K294 IonicContact OE1-NZ 3.71Å; D292-K294 PolarHBondContact O-N 3.32Å; D292-K294 VanDerWaalsContact O-N 3.14Å; D292-K294 WeakPolarHBondContact OD1-CA 3.45Å; D292-K294 WeakPolarHBondContact OD1-CB 3.49Å; D292-K294 PolarHBondContact OD1-N 2.81Å; K294-G296 PolarHBondContact O-N 3.08Å; K294-L297 HydrophobicContact CB-CB 4.13Å; K294-L297 WeakPolarHBondContact O-CB 3.08Å; K294-L297 VanDerWaalsContact O-CG 3.25Å; K294-L297 WeakPolarHBondContact O-CG 3.32Å; K294-L297 PolarHBondContact O-N 3.11Å; K294-D298 WeakPolarHBondContact CD-OD2 3.4Å; K294-D298 WeakPolarHBondContact CG-OD2 2.9Å; K294-D298 VanDerWaalsContact NZ-CG 3.32Å; K294-D298 IonicContact NZ-OD1 3.48Å; K294-D298 PolarHBondContact NZ-OD1 2.95Å; K294-D298 VanDerWaalsContact NZ-OD1 3.13Å; K294-D298 IonicContact NZ-OD2 3.66Å; K294-D298 PolarHBondContact NZ-OD2 2.62Å
295	H	97.1	Very high	97	Very high	135 Å²	135	49.2 Å²	49.2	63%	0.625	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.5	37.7	170.1	-53.1	-60.2	0	0	0	115.6	Q289 D292	Q289-H295 WeakPolarHBondContact O-CA 3.36Å; Q289-H295 PolarHBondContact O-ND1 3.49Å; D292-H295 PolarHBondContact O-N 3.45Å; D292-H295 PolarHBondContact OD1-N 3.19Å; D292-H295 VanDerWaalsContact OD1-N 3.07Å
296	G	96.9	Very high	96.4	Very high	6 Å²	6	47.9 Å²	47.9	6%	0.062	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	101.4	-15.7	178.4	0	0	0	0	0	113.4	D292 K294 N299 Q300 I312	D292-G296 VanDerWaalsContact CG-N 3.29Å; D292-G296 PolarHBondContact OD1-N 3.41Å; D292-G296 WeakPolarHBondContact OD2-CA 3.17Å; D292-G296 PolarHBondContact OD2-N 3.45Å; K294-G296 PolarHBondContact O-N 3.08Å; G296-N299 PolarHBondContact O-N 3.35Å; G296-Q300 WeakPolarHBondContact O-CB 3.39Å; G296-Q300 PolarHBondContact O-N 2.69Å; G296-I312 WeakPolarHBondContact O-CD1 3.45Å
297	L	97.4	Very high	95.7	Very high	114 Å²	114	46.5 Å²	46.5	60%	0.597	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.5	-38.6	-174.5	-66.6	175.4	0	0	0	112.3	K294	K294-L297 HydrophobicContact CB-CB 4.13Å; K294-L297 WeakPolarHBondContact O-CB 3.08Å; K294-L297 VanDerWaalsContact O-CG 3.25Å; K294-L297 WeakPolarHBondContact O-CG 3.32Å; K294-L297 PolarHBondContact O-N 3.11Å
298	D	97.8	Very high	94.8	Very high	12 Å²	12	50.4 Å²	50.4	6%	0.064	26%	0.264	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.5	-45.1	175.6	-79.3	-34.7	0	0	0	110.5	P242 D292 K294 Q300 R301 N348	P242-D298 HydrophobicContact CG-CB 3.81Å; P242-D298 WeakPolarHBondContact CG-O 3.29Å; D292-D298 HydrophobicContact CB-CB 4.13Å; K294-D298 WeakPolarHBondContact CD-OD2 3.4Å; K294-D298 WeakPolarHBondContact CG-OD2 2.9Å; K294-D298 VanDerWaalsContact NZ-CG 3.32Å; K294-D298 IonicContact NZ-OD1 3.48Å; K294-D298 PolarHBondContact NZ-OD1 2.95Å; K294-D298 VanDerWaalsContact NZ-OD1 3.13Å; K294-D298 IonicContact NZ-OD2 3.66Å; K294-D298 PolarHBondContact NZ-OD2 2.62Å; D298-Q300 VanDerWaalsContact C-N 3.27Å; D298-Q300 PolarHBondContact O-N 2.68Å; D298-R301 WeakPolarHBondContact O-CB 3.28Å; D298-R301 PolarHBondContact O-N 3.48Å; D298-R301 PolarHBondContact O-NE 2.87Å; D298-R301 IonicContact OD1-CZ 3.58Å; D298-R301 IonicContact OD1-NH2 3.7Å; D298-R301 PolarHBondContact OD1-NH2 3.09Å; D298-N348 PolarHBondContact OD2-ND2 3.35Å; D298-N348 VanDerWaalsContact OD2-ND2 3.12Å
299	N	96.5	Very high	94	Very high	0 Å²	0	51 Å²	51	0%	0	27%	0.268	C	S	.	.	G	3₁₀ helix	trans	-71	-21.9	-174.6	-153.1	18.3	0	0	0	113.3	D292 G296 R301 R302 L303 R344	D292-N299 WeakPolarHBondContact OD2-CB 3.3Å; D292-N299 PolarHBondContact OD2-N 2.73Å; G296-N299 PolarHBondContact O-N 3.35Å; N299-R301 PolarHBondContact O-N 2.87Å; N299-R302 PolarHBondContact O-N 3.24Å; N299-R302 VanDerWaalsContact OD1-CZ 3.25Å; N299-R302 PolarHBondContact OD1-NE 3.09Å; N299-R302 PolarHBondContact OD1-NH2 2.96Å; N299-L303 WeakPolarHBondContact ND2-CD1 3.46Å; N299-L303 PolarHBondContact O-N 2.84Å; N299-R344 PolarHBondContact ND2-O 3.31Å
300	Q	96.8	Very high	93.5	Very high	115 Å²	115	46.7 Å²	46.7	54%	0.537	25%	0.249	S	C	.	.	G	3₁₀ helix	trans	-56.2	-30.3	172.8	-172.3	177.9	15.7	0	0	112.6	G296 D298 R302 I312	G296-Q300 WeakPolarHBondContact O-CB 3.39Å; G296-Q300 PolarHBondContact O-N 2.69Å; D298-Q300 VanDerWaalsContact C-N 3.27Å; D298-Q300 PolarHBondContact O-N 2.68Å; Q300-R302 VanDerWaalsContact C-N 3.26Å; Q300-R302 PolarHBondContact O-N 3.2Å; Q300-I312 VanDerWaalsContact CA-CD1 3.49Å; Q300-I312 HydrophobicContact CB-CD1 3.82Å; Q300-I312 HydrophobicContact CG-CD1 4.44Å; Q300-I312 HydrophobicContact CG-CG2 4.46Å
301	R	97.3	Very high	93.2	Very high	92 Å²	92	47.4 Å²	47.4	35%	0.347	25%	0.254	S	S	.	.	G	3₁₀ helix	trans	-72.5	-20.1	177.1	-61.1	180	-71.6	122.5	-7.5	113.1	D241 K243 D298 N299	D241-R301 IonicContact OD1-CZ 3.82Å; D241-R301 IonicContact OD1-NH1 2.67Å; D241-R301 PolarHBondContact OD1-NH1 2.82Å; D241-R301 IonicContact OD1-NH2 3.64Å; D241-R301 PolarHBondContact OD1-NH2 3.41Å; D241-R301 IonicContact OD2-CZ 2.76Å; D241-R301 IonicContact OD2-NH1 3.5Å; D241-R301 PolarHBondContact OD2-NH1 3.01Å; D241-R301 IonicContact OD2-NH2 2.74Å; D241-R301 PolarHBondContact OD2-NH2 3.44Å; K243-R301 HydrophobicContact CB-CB 3.79Å; K243-R301 HydrophobicContact CG-CB 4.23Å; K243-R301 PolarHBondContact O-NH1 3.39Å; D298-R301 WeakPolarHBondContact O-CB 3.28Å; D298-R301 PolarHBondContact O-N 3.48Å; D298-R301 PolarHBondContact O-NE 2.87Å; D298-R301 IonicContact OD1-CZ 3.58Å; D298-R301 IonicContact OD1-NH2 3.7Å; D298-R301 PolarHBondContact OD1-NH2 3.09Å; N299-R301 PolarHBondContact O-N 2.87Å
302	R	97.5	Very high	93	Very high	8 Å²	8	48.2 Å²	48.2	3%	0.03	26%	0.258	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100.9	-54	-178	-177.5	-179.6	70.1	95.4	3.8	112	P242 S252 N299 Q300 T304 T309 R343 R344 P345	P242-R302 HydrophobicContact CB-CB 4.1Å; P242-R302 WeakPolarHBondContact O-CD 3.19Å; S252-R302 WeakPolarHBondContact O-CD 3.41Å; S252-R302 PolarHBondContact O-NE 3.05Å; N299-R302 PolarHBondContact O-N 3.24Å; N299-R302 VanDerWaalsContact OD1-CZ 3.25Å; N299-R302 PolarHBondContact OD1-NE 3.09Å; N299-R302 PolarHBondContact OD1-NH2 2.96Å; Q300-R302 VanDerWaalsContact C-N 3.26Å; Q300-R302 PolarHBondContact O-N 3.2Å; R302-T304 VanDerWaalsContact C-N 3.33Å; R302-T304 PolarHBondContact O-N 2.85Å; R302-T304 PolarHBondContact O-OG1 3.38Å; R302-T309 HydrophobicContact CG-CG2 4.17Å; R302-T309 PolarHBondContact O-OG1 3.38Å; R302-R343 PolarHBondContact NH1-O 3.31Å; R302-R344 PolarHBondContact NH2-O 3.41Å; R302-P345 PolarHBondContact NH2-O 2.81Å
303	L	96.5	Very high	92.9	Very high	7 Å²	7	53.6 Å²	53.6	4%	0.037	29%	0.287	C	S	.	.			trans	-76.9	77.2	-175	-66.1	-174.9	0	0	0	111.9	I288 N299 T309 S310 I312 R344	I288-L303 HydrophobicContact CD1-CD1 3.93Å; N299-L303 WeakPolarHBondContact ND2-CD1 3.46Å; N299-L303 PolarHBondContact O-N 2.84Å; L303-T309 HydrophobicContact CD2-CG2 4.18Å; L303-S310 CarbonylContact C-O 3.59Å; L303-S310 VanDerWaalsContact CA-O 3.29Å; L303-S310 WeakPolarHBondContact CA-O 3.28Å; L303-S310 WeakPolarHBondContact CB-O 3.49Å; L303-I312 HydrophobicContact CB-CB 3.9Å; L303-I312 HydrophobicContact CB-CG1 4.49Å; L303-I312 HydrophobicContact CD1-CG1 4.38Å; L303-I312 PolarHBondContact O-N 3.25Å; L303-R344 HydrophobicContact CD1-CB 4.41Å
304	T	94.5	Very high	92.7	Very high	74 Å²	74	56.7 Å²	56.7	45%	0.454	30%	0.302	S	S	.	.	B	Isolated β-bridge	trans	-111.8	-1.2	-171.8	55.9	0	0	0	0	113.3	R302 S306 T309 S310	R302-T304 VanDerWaalsContact C-N 3.33Å; R302-T304 PolarHBondContact O-N 2.85Å; R302-T304 PolarHBondContact O-OG1 3.38Å; T304-S306 PolarHBondContact O-N 3.49Å; T304-S306 PolarHBondContact OG1-N 3.46Å; T304-T309 PolarHBondContact N-OG1 2.83Å; T304-S310 PolarHBondContact N-O 3.33Å
305	G	88.6	Confident	92.6	Very high	48 Å²	48	54.8 Å²	54.8	50%	0.495	29%	0.294	S	S	.	.	S	Bend	trans	79.3	-3.4	-168.3	0	0	0	0	0	114	T309 S310	G305-T309 CarbonylContact C-O 3.56Å; G305-T309 VanDerWaalsContact C-O 3.27Å; G305-T309 WeakPolarHBondContact CA-O 3.24Å; G305-S310 PolarHBondContact N-O 3.27Å
306	S	84.2	Confident	92.6	Very high	63 Å²	63	50.2 Å²	50.2	44%	0.441	28%	0.277	S	S	.	.			trans	-109.4	166.5	176.5	-62.8	0	0	0	0	111	T304 E308 T309	T304-S306 PolarHBondContact O-N 3.49Å; T304-S306 PolarHBondContact OG1-N 3.46Å; S306-E308 PolarHBondContact O-N 3.17Å; S306-T309 PolarHBondContact O-N 2.94Å; S306-T309 PolarHBondContact O-OG1 3.38Å
307	H	84.3	Confident	92.7	Very high	60 Å²	60	52.8 Å²	52.8	28%	0.278	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	54.8	49	175.7	-50.6	-58.7	0	0	0	114.7	N248 T309	N248-H307 PolarHBondContact OD1-CE1 2.8Å; H307-T309 VanDerWaalsContact C-N 3.27Å; H307-T309 PolarHBondContact O-N 3.39Å
308	E	80.4	Confident	92.6	Very high	83 Å²	83	48.2 Å²	48.2	39%	0.388	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	61.5	31.7	178.9	-50.9	-172.1	-172.4	0	0	114	S306 R322 R343	S306-E308 PolarHBondContact O-N 3.17Å; E308-R322 CarbonylContact C-O 3.56Å; E308-R322 HydrophobicContact CB-CB 4.33Å; E308-R322 IonicContact OE1-NH1 2.9Å; E308-R322 WeakPolarHBondContact OE2-CD 3.31Å; E308-R322 IonicContact OE2-CZ 3.43Å; E308-R322 IonicContact OE2-NE 2.72Å; E308-R322 IonicContact OE2-NH1 3.4Å; E308-R322 PolarHBondContact OE2-NH1 3.18Å; E308-R343 PolarHBondContact O-NH2 3.36Å
309	T	80.3	Confident	92.6	Very high	15 Å²	15	51.3 Å²	51.3	9%	0.092	29%	0.294	C	S	.	.			trans	-124.1	155.9	174.2	68.7	0	0	0	0	111.8	R302 L303 T304 G305 S306 H307	R302-T309 HydrophobicContact CG-CG2 4.17Å; R302-T309 PolarHBondContact O-OG1 3.38Å; L303-T309 HydrophobicContact CD2-CG2 4.18Å; T304-T309 PolarHBondContact N-OG1 2.83Å; G305-T309 CarbonylContact C-O 3.56Å; G305-T309 VanDerWaalsContact C-O 3.27Å; G305-T309 WeakPolarHBondContact CA-O 3.24Å; S306-T309 PolarHBondContact O-N 2.94Å; S306-T309 PolarHBondContact O-OG1 3.38Å; H307-T309 VanDerWaalsContact C-N 3.27Å; H307-T309 PolarHBondContact O-N 3.39Å
310	S	87.4	Confident	92.5	Very high	12 Å²	12	52.8 Å²	52.8	8%	0.084	31%	0.306	C	S	.	.			trans	-83.3	167	167.3	-143.9	0	0	0	0	111	L303 T304 G305 S316 G323	L303-S310 CarbonylContact C-O 3.59Å; L303-S310 VanDerWaalsContact CA-O 3.29Å; L303-S310 WeakPolarHBondContact CA-O 3.28Å; L303-S310 WeakPolarHBondContact CB-O 3.49Å; T304-S310 PolarHBondContact N-O 3.33Å; G305-S310 PolarHBondContact N-O 3.27Å; S310-S316 PolarHBondContact OG-OG 3Å; S310-S316 VanDerWaalsContact OG-OG 3.12Å; S310-G323 WeakPolarHBondContact CA-O 3.14Å; S310-G323 WeakPolarHBondContact CB-O 3.37Å; S310-G323 PolarHBondContact N-O 3Å; S310-G323 PolarHBondContact OG-O 3.42Å
311	S	92.7	Very high	92.3	Very high	31 Å²	31	51 Å²	51	22%	0.217	30%	0.3	C	S	.	.	B	Isolated β-bridge	trans	-66.3	141	167.8	162.7	0	0	0	0	109.8	N313 D314	S311-N313 PolarHBondContact O-N 3.08Å; S311-N313 PolarHBondContact OG-N 3.26Å; S311-D314 WeakPolarHBondContact CB-OD2 3.36Å; S311-D314 PolarHBondContact O-N 2.67Å; S311-D314 PolarHBondContact OG-OD2 3.03Å
312	I	94.5	Very high	92	Very high	16 Å²	16	51.8 Å²	51.8	8%	0.082	30%	0.303	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.4	-20.1	177.6	-166.9	161.5	0	0	0	113.8	H284 I288 G296 Q300 L303	H284-I312 PolarHBondContact NE2-O 3.23Å; I288-I312 HydrophobicContact CD1-CG1 4.32Å; I288-I312 HydrophobicContact CG1-CG1 4.43Å; I288-I312 HydrophobicContact CG2-CD1 3.85Å; I288-I312 HydrophobicContact CG2-CG1 3.82Å; G296-I312 WeakPolarHBondContact O-CD1 3.45Å; Q300-I312 VanDerWaalsContact CA-CD1 3.49Å; Q300-I312 HydrophobicContact CB-CD1 3.82Å; Q300-I312 HydrophobicContact CG-CD1 4.44Å; Q300-I312 HydrophobicContact CG-CG2 4.46Å; L303-I312 HydrophobicContact CB-CB 3.9Å; L303-I312 HydrophobicContact CB-CG1 4.49Å; L303-I312 HydrophobicContact CD1-CG1 4.38Å; L303-I312 PolarHBondContact O-N 3.25Å
313	N	94.3	Very high	91.7	Very high	115 Å²	115	52.9 Å²	52.9	62%	0.615	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.6	-16.4	-176.8	-60.5	-49.4	0	0	0	113	S311	S311-N313 PolarHBondContact O-N 3.08Å; S311-N313 PolarHBondContact OG-N 3.26Å
314	D	93.5	Very high	91.6	Very high	95 Å²	95	52.6 Å²	52.6	51%	0.508	32%	0.316	S	S	.	.			trans	-111.9	127.8	-169.5	-57	-55.1	0	0	0	110.9	S311 S325	S311-D314 WeakPolarHBondContact CB-OD2 3.36Å; S311-D314 PolarHBondContact O-N 2.67Å; S311-D314 PolarHBondContact OG-OD2 3.03Å; D314-S325 PolarHBondContact O-OG 2.85Å
315	F	97.1	Very high	91.8	Very high	49 Å²	49	49.2 Å²	49.2	22%	0.215	30%	0.295	C	S	.	.			trans	-88.7	132.1	168	-171	-86.2	0	0	0	110.2	I277 L280 S281 H284 I326	I277-F315 HydrophobicContact CG2-CE1 3.92Å; I277-F315 HydrophobicContact CG2-CZ 4.08Å; L280-F315 HydrophobicContact CB-CE2 3.87Å; L280-F315 HydrophobicContact CB-CZ 3.87Å; S281-F315 VanDerWaalsContact CB-CD1 3.42Å; S281-F315 VanDerWaalsContact CB-CE1 3.49Å; H284-F315 HydrophobicContact CB-CB 4.04Å; H284-F315 HydrophobicContact CB-CD2 4.08Å; H284-F315 HydrophobicContact CB-CG 4.48Å; H284-F315 AromaticContact ND1-CD2 3.55Å; F315-I326 HydrophobicContact CE1-CG1 4.45Å; F315-I326 HydrophobicContact CE2-CD1 4.31Å; F315-I326 HydrophobicContact CE2-CG1 3.73Å; F315-I326 HydrophobicContact CZ-CD1 4.47Å; F315-I326 HydrophobicContact CZ-CG1 3.49Å; F315-I326 VanDerWaalsContact CZ-CG1 3.49Å
316	S	96.9	Very high	92.2	Very high	40 Å²	40	46.9 Å²	46.9	28%	0.28	27%	0.271	S	S	.	.			trans	-148	151.9	176.4	57	0	0	0	0	110.9	S310 S324 S325 I326	S310-S316 PolarHBondContact OG-OG 3Å; S310-S316 VanDerWaalsContact OG-OG 3.12Å; S316-S324 VanDerWaalsContact OG-CA 3.31Å; S316-S324 WeakPolarHBondContact OG-CA 3.47Å; S316-S325 WeakPolarHBondContact O-CA 3.5Å; S316-S325 VanDerWaalsContact O-CB 3.26Å; S316-S325 WeakPolarHBondContact O-CB 3.34Å; S316-S325 PolarHBondContact O-N 3.26Å; S316-S325 PolarHBondContact OG-N 3.33Å; S316-S325 VanDerWaalsContact OG-N 3.15Å; S316-I326 PolarHBondContact O-N 2.82Å
317	S	97.1	Very high	92.9	Very high	60 Å²	60	46.7 Å²	46.7	42%	0.42	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	154.3	174.4	58.5	0	0	0	0	111.8	I277 I326	I277-S317 WeakPolarHBondContact CG2-OG 3.1Å; S317-I326 WeakPolarHBondContact CA-O 3.26Å
318	G	96.4	Very high	93.6	Very high	18 Å²	18	44.3 Å²	44.3	19%	0.186	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-170.1	157.1	175.6	0	0	0	0	0	114.3	A320 I326 I328	G318-A320 PolarHBondContact O-N 3.28Å; G318-I326 PolarHBondContact N-O 3.14Å; G318-I328 PolarHBondContact O-N 2.93Å
319	V	96.9	Very high	94.4	Very high	76 Å²	76	40.8 Å²	40.8	46%	0.461	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.1	120.2	173.4	-179.7	0	0	0	0	109.2	N321 I328 A333	V319-N321 PolarHBondContact O-N 3.21Å; V319-N321 VanDerWaalsContact O-N 3.07Å; V319-I328 CarbonylContact C-O 3.41Å; V319-I328 WeakPolarHBondContact CA-O 3.49Å; V319-I328 HydrophobicContact CG2-CB 4.41Å; V319-A333 HydrophobicContact CG1-CB 3.66Å; V319-A333 HydrophobicContact CG2-CB 4.01Å
320	A	94.6	Very high	95.3	Very high	32 Å²	32	47 Å²	47	26%	0.264	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.8	25.9	-179.1	0	0	0	0	0	114.9	G318 I328 R330	G318-A320 PolarHBondContact O-N 3.28Å; A320-I328 PolarHBondContact N-O 3.43Å; A320-R330 HydrophobicContact CB-CB 4.18Å
321	N	93.7	Very high	95.7	Very high	78 Å²	78	51.6 Å²	51.6	42%	0.417	28%	0.276	S	S	.	.			trans	-90.2	113.6	175.4	-173.7	-4.2	0	0	0	109.3	V319 G323 S324	V319-N321 PolarHBondContact O-N 3.21Å; V319-N321 VanDerWaalsContact O-N 3.07Å; N321-G323 PolarHBondContact OD1-N 2.67Å; N321-S324 PolarHBondContact O-OG 3.49Å
322	R	90.6	Very high	96	Very high	108 Å²	108	50.3 Å²	50.3	41%	0.408	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.5	-20.3	178.5	-65.5	-167.8	-179.9	-169.9	-4	113.3	E308 R343	E308-R322 CarbonylContact C-O 3.56Å; E308-R322 HydrophobicContact CB-CB 4.33Å; E308-R322 IonicContact OE1-NH1 2.9Å; E308-R322 WeakPolarHBondContact OE2-CD 3.31Å; E308-R322 IonicContact OE2-CZ 3.43Å; E308-R322 IonicContact OE2-NE 2.72Å; E308-R322 IonicContact OE2-NH1 3.4Å; E308-R322 PolarHBondContact OE2-NH1 3.18Å; R322-R343 PolarHBondContact O-NE 3.29Å; R322-R343 VanDerWaalsContact O-NE 3.08Å
323	G	91.9	Very high	96.1	Very high	31 Å²	31	51 Å²	51	32%	0.32	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88	0.7	178.5	0	0	0	0	0	114.4	S310 N321	S310-G323 WeakPolarHBondContact CA-O 3.14Å; S310-G323 WeakPolarHBondContact CB-O 3.37Å; S310-G323 PolarHBondContact N-O 3Å; S310-G323 PolarHBondContact OG-O 3.42Å; N321-G323 PolarHBondContact OD1-N 2.67Å
324	S	94.7	Very high	96.2	Very high	1 Å²	1	51.5 Å²	51.5	1%	0.007	27%	0.274	C	S	.	.	S	Bend	trans	-87.3	157.9	176.7	57.2	0	0	0	0	112.3	S316 N321 I326	S316-S324 VanDerWaalsContact OG-CA 3.31Å; S316-S324 WeakPolarHBondContact OG-CA 3.47Å; N321-S324 PolarHBondContact O-OG 3.49Å; S324-I326 WeakPolarHBondContact CB-O 3.15Å; S324-I326 PolarHBondContact OG-O 3.48Å
325	S	97.2	Very high	96.4	Very high	2 Å²	2	51.4 Å²	51.4	1%	0.014	27%	0.273	C	S	.	.	S	Bend	trans	-62.4	-48.6	173	-83.9	0	0	0	0	111.5	D314 S316 R343	D314-S325 PolarHBondContact O-OG 2.85Å; S316-S325 WeakPolarHBondContact O-CA 3.5Å; S316-S325 VanDerWaalsContact O-CB 3.26Å; S316-S325 WeakPolarHBondContact O-CB 3.34Å; S316-S325 PolarHBondContact O-N 3.26Å; S316-S325 PolarHBondContact OG-N 3.33Å; S316-S325 VanDerWaalsContact OG-N 3.15Å; S325-R343 PolarHBondContact O-N 3.02Å
326	I	98.3	Very high	96.5	Very high	0 Å²	0	50.1 Å²	50.1	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	133.6	173.8	-51.6	-59	0	0	0	109.6	I277 L280 F315 S316 S317 G318 S324 L340 E341 D342	I277-I326 HydrophobicContact CD1-CG2 3.93Å; I277-I326 HydrophobicContact CG1-CG2 3.87Å; L280-I326 HydrophobicContact CD1-CD1 4.21Å; F315-I326 HydrophobicContact CE1-CG1 4.45Å; F315-I326 HydrophobicContact CE2-CD1 4.31Å; F315-I326 HydrophobicContact CE2-CG1 3.73Å; F315-I326 HydrophobicContact CZ-CD1 4.47Å; F315-I326 HydrophobicContact CZ-CG1 3.49Å; F315-I326 VanDerWaalsContact CZ-CG1 3.49Å; S316-I326 PolarHBondContact O-N 2.82Å; S317-I326 WeakPolarHBondContact CA-O 3.26Å; G318-I326 PolarHBondContact N-O 3.14Å; S324-I326 WeakPolarHBondContact CB-O 3.15Å; S324-I326 PolarHBondContact OG-O 3.48Å; I326-L340 HydrophobicContact CG2-CB 4.01Å; I326-L340 HydrophobicContact CG2-CD1 4.11Å; I326-L340 HydrophobicContact CG2-CG 4.47Å; I326-E341 CarbonylContact C-O 3.45Å; I326-E341 WeakPolarHBondContact CA-O 3.36Å; I326-D342 HydrophobicContact CD1-CB 3.74Å; I326-D342 WeakPolarHBondContact CD1-OD2 3.17Å
327	R	98.3	Very high	96.5	Very high	58 Å²	58	49.3 Å²	49.3	22%	0.219	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	133.8	174.5	167.9	169.9	156.9	-122.1	1.8	109.6	E341 R343	R327-E341 HydrophobicContact CB-CB 4.27Å; R327-E341 WeakPolarHBondContact CB-OE2 3.42Å; R327-E341 WeakPolarHBondContact CD-OE2 3.36Å; R327-E341 WeakPolarHBondContact CG-OE2 3.4Å; R327-E341 IonicContact CZ-OE2 3.73Å; R327-E341 PolarHBondContact N-O 2.95Å; R327-E341 IonicContact NE-OE2 2.67Å; R327-E341 IonicContact NH1-OE1 2.85Å; R327-E341 PolarHBondContact NH1-OE1 3.16Å; R327-E341 IonicContact NH1-OE2 3.33Å; R327-E341 PolarHBondContact NH1-OE2 3.12Å; R327-E341 PolarHBondContact O-N 3.16Å; R327-R343 HydrophobicContact CB-CG 4.48Å
328	I	98.5	Very high	96.6	Very high	11 Å²	11	47.1 Å²	47.1	6%	0.056	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	117	164.5	-57.6	174.9	0	0	0	106.5	L270 I273 I277 G318 V319 A320 V332 A333	L270-I328 HydrophobicContact CD1-CD1 4.4Å; L270-I328 HydrophobicContact CD1-CG2 4.32Å; I273-I328 HydrophobicContact CG2-CD1 4.02Å; I273-I328 HydrophobicContact CG2-CG1 4.07Å; I277-I328 HydrophobicContact CD1-CD1 3.69Å; I277-I328 HydrophobicContact CD1-CG1 3.76Å; G318-I328 PolarHBondContact O-N 2.93Å; V319-I328 CarbonylContact C-O 3.41Å; V319-I328 WeakPolarHBondContact CA-O 3.49Å; V319-I328 HydrophobicContact CG2-CB 4.41Å; A320-I328 PolarHBondContact N-O 3.43Å; I328-V332 HydrophobicContact CG2-CB 4.14Å; I328-V332 HydrophobicContact CG2-CG1 3.87Å; I328-A333 HydrophobicContact CG2-CB 4.32Å
329	P	98.1	Very high	96.7	Very high	8 Å²	8	50.8 Å²	50.8	5%	0.052	26%	0.264	C	S	.	.			trans	-57	145.3	176.7	-22.1	30.1	0	0	0	111.6	Q331 V332 A333 Y339	P329-Q331 VanDerWaalsContact C-N 3.29Å; P329-Q331 PolarHBondContact O-N 3.01Å; P329-V332 HydrophobicContact CB-CB 4.28Å; P329-V332 HydrophobicContact CB-CG2 3.93Å; P329-V332 HydrophobicContact CG-CB 4.45Å; P329-V332 HydrophobicContact CG-CG2 3.9Å; P329-V332 WeakPolarHBondContact O-CB 3.17Å; P329-V332 PolarHBondContact O-N 2.86Å; P329-A333 PolarHBondContact O-N 2.76Å; P329-A333 VanDerWaalsContact O-N 3.12Å; P329-Y339 WeakPolarHBondContact CD-O 3.29Å; P329-Y339 HydrophobicContact CG-CD2 4.02Å; P329-Y339 HydrophobicContact CG-CE1 4.45Å; P329-Y339 HydrophobicContact CG-CE2 3.36Å
330	R	98.1	Very high	96.8	Very high	145 Å²	145	47.1 Å²	47.1	55%	0.547	24%	0.242	S	C	.	.	H	α-helix	trans	-55.2	-46	-179.4	-172.6	173.6	-59.4	-71.8	-2.7	112	A320 V332 A333 E334	A320-R330 HydrophobicContact CB-CB 4.18Å; R330-V332 VanDerWaalsContact C-N 3.26Å; R330-V332 PolarHBondContact O-N 3.01Å; R330-A333 PolarHBondContact O-N 3.27Å; R330-A333 VanDerWaalsContact O-N 3.16Å; R330-E334 HydrophobicContact CG-CG 4.42Å; R330-E334 VanDerWaalsContact CG-OE1 3.3Å; R330-E334 WeakPolarHBondContact CG-OE1 3.49Å; R330-E334 WeakPolarHBondContact O-CG 3.44Å; R330-E334 PolarHBondContact O-N 3.15Å
331	Q	97.2	Very high	97	Very high	109 Å²	109	45.7 Å²	45.7	51%	0.509	23%	0.23	S	C	.	.	H	α-helix	trans	-60.6	-34.5	178.1	-170.5	66	61.4	0	0	112.9	P329 E334 N335	P329-Q331 VanDerWaalsContact C-N 3.29Å; P329-Q331 PolarHBondContact O-N 3.01Å; Q331-E334 PolarHBondContact O-N 2.92Å; Q331-N335 PolarHBondContact NE2-ND2 3.34Å; Q331-N335 PolarHBondContact NE2-OD1 3.5Å; Q331-N335 VanDerWaalsContact O-CB 3.24Å; Q331-N335 WeakPolarHBondContact O-CB 3.38Å; Q331-N335 PolarHBondContact O-N 2.96Å; Q331-N335 PolarHBondContact O-ND2 3.12Å
332	V	97.9	Very high	97.2	Very high	5 Å²	5	42 Å²	42	3%	0.03	21%	0.21	C	C	.	.	H	α-helix	trans	-68.1	-43.6	177.2	169.8	0	0	0	0	110.3	I273 I328 P329 R330 N335 G336 C337 Y339	I273-V332 HydrophobicContact CD1-CG1 3.54Å; I328-V332 HydrophobicContact CG2-CB 4.14Å; I328-V332 HydrophobicContact CG2-CG1 3.87Å; P329-V332 HydrophobicContact CB-CB 4.28Å; P329-V332 HydrophobicContact CB-CG2 3.93Å; P329-V332 HydrophobicContact CG-CB 4.45Å; P329-V332 HydrophobicContact CG-CG2 3.9Å; P329-V332 WeakPolarHBondContact O-CB 3.17Å; P329-V332 PolarHBondContact O-N 2.86Å; R330-V332 VanDerWaalsContact C-N 3.26Å; R330-V332 PolarHBondContact O-N 3.01Å; V332-N335 PolarHBondContact O-N 2.94Å; V332-G336 PolarHBondContact O-N 2.85Å; V332-C337 PolarHBondContact O-N 3.41Å; V332-Y339 HydrophobicContact CG2-CD1 3.99Å; V332-Y339 HydrophobicContact CG2-CE1 3.99Å; V332-Y339 HydrophobicContact CG2-CG 4.46Å
333	A	96.7	Very high	97.6	Very high	31 Å²	31	37.8 Å²	37.8	26%	0.256	19%	0.194	S	C	.	.	H	α-helix	trans	-64.2	-39.6	175.5	0	0	0	0	0	112.1	V319 I328 P329 R330	V319-A333 HydrophobicContact CG1-CB 3.66Å; V319-A333 HydrophobicContact CG2-CB 4.01Å; I328-A333 HydrophobicContact CG2-CB 4.32Å; P329-A333 PolarHBondContact O-N 2.76Å; P329-A333 VanDerWaalsContact O-N 3.12Å; R330-A333 PolarHBondContact O-N 3.27Å; R330-A333 VanDerWaalsContact O-N 3.16Å
334	E	97.4	Very high	97.9	Very high	124 Å²	124	36.4 Å²	36.4	58%	0.579	18%	0.179	S	C	*	.	H	α-helix	trans	-68.7	-40.4	177.1	-72.6	169.7	-179.4	0	0	112.6	R330 Q331 G336	R330-E334 HydrophobicContact CG-CG 4.42Å; R330-E334 VanDerWaalsContact CG-OE1 3.3Å; R330-E334 WeakPolarHBondContact CG-OE1 3.49Å; R330-E334 WeakPolarHBondContact O-CG 3.44Å; R330-E334 PolarHBondContact O-N 3.15Å; Q331-E334 PolarHBondContact O-N 2.92Å; E334-G336 VanDerWaalsContact C-N 3.35Å
335	N	97.4	Very high	98.1	Very high	94 Å²	94	36.3 Å²	36.3	50%	0.503	18%	0.179	S	C	.	.	H	α-helix	trans	-79.6	-17	179.5	-70.9	-7.9	0	0	0	113.5	Q331 V332 C337	Q331-N335 PolarHBondContact NE2-ND2 3.34Å; Q331-N335 PolarHBondContact NE2-OD1 3.5Å; Q331-N335 VanDerWaalsContact O-CB 3.24Å; Q331-N335 WeakPolarHBondContact O-CB 3.38Å; Q331-N335 PolarHBondContact O-N 2.96Å; Q331-N335 PolarHBondContact O-ND2 3.12Å; V332-N335 PolarHBondContact O-N 2.94Å; N335-C337 PolarHBondContact O-N 2.83Å
336	G	98.1	Very high	98.2	Very high	22 Å²	22	36.2 Å²	36.2	23%	0.227	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	73.1	8.8	-174.5	0	0	0	0	0	114.6	G269 L270 V332 E334	G269-G336 CarbonylContact C-O 3.58Å; G269-G336 PolarHBondContact N-O 3.4Å; L270-G336 WeakPolarHBondContact CB-O 3.18Å; L270-G336 PolarHBondContact N-O 3.07Å; V332-G336 PolarHBondContact O-N 2.85Å; E334-G336 VanDerWaalsContact C-N 3.35Å
337	C	98.5	Very high	98.2	Very high	22 Å²	22	36.2 Å²	36.2	15%	0.149	18%	0.178	C	C	.	.			trans	-158.9	163.1	176.9	74.3	0	0	0	0	112.8	D265 V332 N335	D265-C337 WeakPolarHBondContact O-CB 3.37Å; V332-C337 PolarHBondContact O-N 3.41Å; N335-C337 PolarHBondContact O-N 2.83Å
338	G	98.7	Very high	98.2	Very high	15 Å²	15	33.6 Å²	33.6	16%	0.155	17%	0.168	C	C	.	.	S	Bend	trans	145.1	-110.3	175	0	0	0	0	0	113.1	S259 M263	S259-G338 WeakPolarHBondContact CB-O 3.45Å; M263-G338 CarbonylContact C-O 3.48Å; M263-G338 PolarHBondContact O-N 2.99Å
339	Y	98.8	Very high	98.3	Very high	94 Å²	94	33.1 Å²	33.1	37%	0.369	17%	0.166	S	C	.	.			trans	-146.4	160.4	-172	61.5	-86.8	0	0	0	111.7	N257 Y258 P329 V332	N257-Y339 HydrophobicContact CB-CD2 3.85Å; N257-Y339 HydrophobicContact CB-CE2 4.12Å; N257-Y339 WeakPolarHBondContact OD1-CD2 3.43Å; N257-Y339 WeakPolarHBondContact OD1-CE2 3.06Å; Y258-Y339 WeakPolarHBondContact O-CA 3.18Å; Y258-Y339 WeakPolarHBondContact O-CB 3.12Å; P329-Y339 WeakPolarHBondContact CD-O 3.29Å; P329-Y339 HydrophobicContact CG-CD2 4.02Å; P329-Y339 HydrophobicContact CG-CE1 4.45Å; P329-Y339 HydrophobicContact CG-CE2 3.36Å; V332-Y339 HydrophobicContact CG2-CD1 3.99Å; V332-Y339 HydrophobicContact CG2-CE1 3.99Å; V332-Y339 HydrophobicContact CG2-CG 4.46Å
340	L	98.6	Very high	98.3	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	159.3	164.3	65	82.4	0	0	0	110.2	N257 Y258 M263 I273 A276 I277 L280 I326	N257-L340 CarbonylContact C-O 3.55Å; N257-L340 VanDerWaalsContact CA-O 3.3Å; N257-L340 WeakPolarHBondContact CA-O 3.47Å; Y258-L340 HydrophobicContact CD1-CD1 4.3Å; Y258-L340 HydrophobicContact CD1-CD2 4.36Å; Y258-L340 HydrophobicContact CD1-CG 4.33Å; Y258-L340 PolarHBondContact N-O 3.46Å; Y258-L340 PolarHBondContact O-N 3.48Å; M263-L340 HydrophobicContact CE-CD2 4.44Å; I273-L340 HydrophobicContact CG2-CB 4.04Å; A276-L340 HydrophobicContact CB-CD2 4.15Å; I277-L340 HydrophobicContact CG1-CD2 4.07Å; L280-L340 HydrophobicContact CD1-CD2 4.2Å; I326-L340 HydrophobicContact CG2-CB 4.01Å; I326-L340 HydrophobicContact CG2-CD1 4.11Å; I326-L340 HydrophobicContact CG2-CG 4.47Å
341	E	98.8	Very high	98.3	Very high	1 Å²	1	26 Å²	26	1%	0.005	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	114.4	174.4	-179.4	-165	-172.9	0	0	109.3	H255 N257 I326 R327 R343	H255-E341 HydrophobicContact CB-CG 4.13Å; H255-E341 IonicContact CG-OE1 2.75Å; H255-E341 IonicContact ND1-OE1 3.95Å; N257-E341 WeakPolarHBondContact OD1-CB 3.43Å; I326-E341 CarbonylContact C-O 3.45Å; I326-E341 WeakPolarHBondContact CA-O 3.36Å; R327-E341 HydrophobicContact CB-CB 4.27Å; R327-E341 WeakPolarHBondContact CB-OE2 3.42Å; R327-E341 WeakPolarHBondContact CD-OE2 3.36Å; R327-E341 WeakPolarHBondContact CG-OE2 3.4Å; R327-E341 IonicContact CZ-OE2 3.73Å; R327-E341 PolarHBondContact N-O 2.95Å; R327-E341 IonicContact NE-OE2 2.67Å; R327-E341 IonicContact NH1-OE1 2.85Å; R327-E341 PolarHBondContact NH1-OE1 3.16Å; R327-E341 IonicContact NH1-OE2 3.33Å; R327-E341 PolarHBondContact NH1-OE2 3.12Å; R327-E341 PolarHBondContact O-N 3.16Å; E341-R343 HydrophobicContact CG-CG 3.89Å; E341-R343 IonicContact OE1-CZ 3.3Å; E341-R343 IonicContact OE1-NH1 3.45Å; E341-R343 PolarHBondContact OE1-NH1 2.93Å; E341-R343 IonicContact OE2-NH1 3.99Å
342	D	98.7	Very high	98.4	Very high	0 Å²	0	21 Å²	21	0%	0	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	110.9	171.2	-162.7	-27.4	0	0	0	110.2	H255 T256 Y291 I326 R344 P345 L358	H255-D342 WeakPolarHBondContact CA-O 3.28Å; T256-D342 PolarHBondContact N-O 3.46Å; T256-D342 PolarHBondContact O-N 3.31Å; Y291-D342 PolarHBondContact OH-OD2 3.46Å; I326-D342 HydrophobicContact CD1-CB 3.74Å; I326-D342 WeakPolarHBondContact CD1-OD2 3.17Å; D342-R344 VanDerWaalsContact OD1-CB 3.27Å; D342-R344 WeakPolarHBondContact OD1-CB 3.36Å; D342-R344 WeakPolarHBondContact OD1-CG 3.27Å; D342-R344 IonicContact OD1-CZ 3.03Å; D342-R344 PolarHBondContact OD1-N 2.95Å; D342-R344 VanDerWaalsContact OD1-N 3.11Å; D342-R344 IonicContact OD1-NE 2.75Å; D342-R344 PolarHBondContact OD1-NE 3.47Å; D342-R344 IonicContact OD1-NH2 3.3Å; D342-R344 IonicContact OD2-CZ 3.46Å; D342-R344 IonicContact OD2-NE 3.13Å; D342-R344 PolarHBondContact OD2-NE 2.79Å; D342-R344 IonicContact OD2-NH2 2.73Å; D342-R344 PolarHBondContact OD2-NH2 3.29Å; D342-P345 WeakPolarHBondContact O-CD 3.24Å; D342-L358 HydrophobicContact CB-CD2 4.45Å
343	R	98.4	Very high	98.4	Very high	21 Å²	21	21.8 Å²	21.8	8%	0.079	12%	0.118	C	C	.	.			trans	-92.8	-0.2	-174.6	-60	179.9	62.4	71.4	6.1	113	H255 R302 E308 R322 S325 R327 E341	H255-R343 PolarHBondContact CE1-NH1 3.49Å; H255-R343 VanDerWaalsContact CE1-NH1 3.35Å; H255-R343 PolarHBondContact CE1-NH2 3.35Å; H255-R343 PolarHBondContact ND1-NH1 2.81Å; R302-R343 PolarHBondContact NH1-O 3.31Å; E308-R343 PolarHBondContact O-NH2 3.36Å; R322-R343 PolarHBondContact O-NE 3.29Å; R322-R343 VanDerWaalsContact O-NE 3.08Å; S325-R343 PolarHBondContact O-N 3.02Å; R327-R343 HydrophobicContact CB-CG 4.48Å; E341-R343 HydrophobicContact CG-CG 3.89Å; E341-R343 IonicContact OE1-CZ 3.3Å; E341-R343 IonicContact OE1-NH1 3.45Å; E341-R343 PolarHBondContact OE1-NH1 2.93Å; E341-R343 IonicContact OE2-NH1 3.99Å
344	R	98.6	Very high	98.5	Very high	1 Å²	1	20.3 Å²	20.3	0%	0.004	11%	0.106	C	C	.	.			trans	-80.2	-28	-175.9	-57.4	174.2	-71.4	172.2	-2.9	115.1	H284 I288 Y291 N299 R302 L303 D342 S346	H284-R344 PolarHBondContact ND1-NH1 3.48Å; I288-R344 HydrophobicContact CD1-CB 4.21Å; Y291-R344 HydrophobicContact CD2-CB 3.59Å; Y291-R344 HydrophobicContact CE2-CB 3.69Å; N299-R344 PolarHBondContact ND2-O 3.31Å; R302-R344 PolarHBondContact NH2-O 3.41Å; L303-R344 HydrophobicContact CD1-CB 4.41Å; D342-R344 VanDerWaalsContact OD1-CB 3.27Å; D342-R344 WeakPolarHBondContact OD1-CB 3.36Å; D342-R344 WeakPolarHBondContact OD1-CG 3.27Å; D342-R344 IonicContact OD1-CZ 3.03Å; D342-R344 PolarHBondContact OD1-N 2.95Å; D342-R344 VanDerWaalsContact OD1-N 3.11Å; D342-R344 IonicContact OD1-NE 2.75Å; D342-R344 PolarHBondContact OD1-NE 3.47Å; D342-R344 IonicContact OD1-NH2 3.3Å; D342-R344 IonicContact OD2-CZ 3.46Å; D342-R344 IonicContact OD2-NE 3.13Å; D342-R344 PolarHBondContact OD2-NE 2.79Å; D342-R344 IonicContact OD2-NH2 2.73Å; D342-R344 PolarHBondContact OD2-NH2 3.29Å; R344-S346 PolarHBondContact O-N 3.13Å
345	P	98.7	Very high	98.6	Very high	0 Å²	0	14.4 Å²	14.4	0%	0	8%	0.078	C	C	.	.			trans	-60.9	136.5	179.1	-24.4	34.6	0	0	0	112.9	A254 Y291 R302 D342 C349 V354	A254-P345 HydrophobicContact CB-CB 4.18Å; A254-P345 PolarHBondContact N-O 3.5Å; A254-P345 WeakPolarHBondContact O-CB 3.46Å; Y291-P345 HydrophobicContact CD1-CG 4.41Å; Y291-P345 HydrophobicContact CD2-CB 4.47Å; Y291-P345 HydrophobicContact CD2-CG 3.98Å; Y291-P345 HydrophobicContact CE1-CG 4.36Å; Y291-P345 HydrophobicContact CE2-CG 3.93Å; Y291-P345 HydrophobicContact CG-CB 4.37Å; Y291-P345 HydrophobicContact CG-CG 4.21Å; R302-P345 PolarHBondContact NH2-O 2.81Å; D342-P345 WeakPolarHBondContact O-CD 3.24Å; P345-C349 HydrophobicContact CB-CB 4.43Å; P345-V354 HydrophobicContact CB-CG1 4.31Å; P345-V354 HydrophobicContact CB-CG2 4.11Å; P345-V354 HydrophobicContact CG-CG1 3.72Å; P345-V354 HydrophobicContact CG-CG2 4.32Å
346	S	98.7	Very high	98.7	Very high	0 Å²	0	12.2 Å²	12.2	0%	0	6%	0.063	C	C	.	.	B	Isolated β-bridge	trans	-71.7	157.4	171.2	65.7	0	0	0	0	111.3	A254 Y291 D292 R344 N348 C349	A254-S346 WeakPolarHBondContact CB-O 3.37Å; Y291-S346 WeakPolarHBondContact O-CB 3.34Å; Y291-S346 PolarHBondContact O-N 3.41Å; Y291-S346 PolarHBondContact O-OG 2.89Å; D292-S346 VanDerWaalsContact CB-OG 3.27Å; D292-S346 WeakPolarHBondContact CB-OG 3.46Å; R344-S346 PolarHBondContact O-N 3.13Å; S346-N348 VanDerWaalsContact CB-OD1 3.28Å; S346-N348 WeakPolarHBondContact CB-OD1 3.41Å; S346-N348 PolarHBondContact O-N 2.87Å; S346-N348 PolarHBondContact OG-OD1 3.32Å; S346-C349 VanDerWaalsContact O-CB 3.27Å; S346-C349 WeakPolarHBondContact O-CB 3.26Å; S346-C349 PolarHBondContact O-N 3.18Å; S346-C349 VanDerWaalsContact O-N 3.14Å; S346-C349 PolarHBondContact O-SG 3.48Å; S346-C349 PolarHBondContact OG-N 2.96Å
347	S	98.7	Very high	98.7	Very high	0 Å²	0	11.8 Å²	11.8	0%	0	6%	0.055	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.2	-25.8	174.1	46.3	0	0	0	0	114.4	Q137 E138 R224 L240 D241 P242 S252 G253	Q137-S347 PolarHBondContact NE2-O 2.95Å; Q137-S347 PolarHBondContact OE1-O 3.06Å; E138-S347 VanDerWaalsContact O-CB 3.31Å; E138-S347 WeakPolarHBondContact O-CB 3.23Å; R224-S347 PolarHBondContact NH2-O 2.78Å; R224-S347 VanDerWaalsContact NH2-O 3.15Å; L240-S347 CarbonylContact O-C 3.55Å; L240-S347 WeakPolarHBondContact O-CB 3.34Å; L240-S347 PolarHBondContact O-OG 3.07Å; D241-S347 PolarHBondContact O-OG 3.14Å; P242-S347 WeakPolarHBondContact CA-OG 3.4Å; S252-S347 VanDerWaalsContact CB-CB 3.5Å; S252-S347 WeakPolarHBondContact CB-OG 3.49Å; S252-S347 WeakPolarHBondContact O-CB 3.27Å; S252-S347 PolarHBondContact O-N 3.37Å; S252-S347 PolarHBondContact O-OG 3.42Å; G253-S347 WeakPolarHBondContact O-CB 3.21Å
348	N	98.7	Very high	98.7	Very high	2 Å²	2	10.7 Å²	10.7	1%	0.011	5%	0.048	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.7	7.4	176.7	64.9	-28.8	0	0	0	113.8	E40 L240 P293 D298 S346	E40-N348 PolarHBondContact OE2-ND2 2.74Å; L240-N348 HydrophobicContact CB-CB 4.09Å; L240-N348 VanDerWaalsContact O-CB 3.29Å; L240-N348 WeakPolarHBondContact O-CB 3.39Å; L240-N348 PolarHBondContact O-N 2.85Å; L240-N348 VanDerWaalsContact O-N 3.07Å; P293-N348 VanDerWaalsContact CD-O 3.32Å; P293-N348 WeakPolarHBondContact CD-O 3.36Å; P293-N348 WeakPolarHBondContact CG-O 3.46Å; D298-N348 PolarHBondContact OD2-ND2 3.35Å; D298-N348 VanDerWaalsContact OD2-ND2 3.12Å; S346-N348 VanDerWaalsContact CB-OD1 3.28Å; S346-N348 WeakPolarHBondContact CB-OD1 3.41Å; S346-N348 PolarHBondContact O-N 2.87Å; S346-N348 PolarHBondContact OG-OD1 3.32Å
349	C	98.7	Very high	98.7	Very high	2 Å²	2	10 Å²	10	1%	0.014	4%	0.041	C	C	.	.			trans	-58.4	151.8	179.3	73.6	0	0	0	0	112.4	R224 Y291 P345 S346 P351 V354	R224-C349 VanDerWaalsContact CZ-O 3.28Å; R224-C349 PolarHBondContact NH1-O 2.96Å; R224-C349 PolarHBondContact NH2-O 3.4Å; Y291-C349 WeakPolarHBondContact O-CB 3.47Å; P345-C349 HydrophobicContact CB-CB 4.43Å; S346-C349 VanDerWaalsContact O-CB 3.27Å; S346-C349 WeakPolarHBondContact O-CB 3.26Å; S346-C349 PolarHBondContact O-N 3.18Å; S346-C349 VanDerWaalsContact O-N 3.14Å; S346-C349 PolarHBondContact O-SG 3.48Å; S346-C349 PolarHBondContact OG-N 2.96Å; C349-P351 WeakPolarHBondContact O-CD 3.1Å; C349-V354 HydrophobicContact CB-CG2 3.78Å
350	D	98.8	Very high	98.7	Very high	2 Å²	2	8.8 Å²	8.8	1%	0.011	4%	0.039	C	C	.	.			trans	-80.8	113.8	164.4	-175.4	-14.3	0	0	0	109.2	H115 W221 Y352 M353 V354	H115-D350 WeakPolarHBondContact CB-OD2 3.3Å; H115-D350 IonicContact CE1-OD2 3.18Å; H115-D350 IonicContact CG-OD2 3.54Å; H115-D350 IonicContact ND1-OD2 2.69Å; H115-D350 PolarHBondContact ND1-OD2 3.36Å; W221-D350 HydrophobicContact CZ2-CB 4.08Å; W221-D350 PolarHBondContact NE1-OD1 3.12Å; D350-Y352 PolarHBondContact O-N 3.35Å; D350-Y352 VanDerWaalsContact O-N 3.15Å; D350-Y352 WeakPolarHBondContact OD1-CB 3.33Å; D350-Y352 VanDerWaalsContact OD1-CD2 3.26Å; D350-Y352 WeakPolarHBondContact OD1-CD2 3.41Å; D350-Y352 PolarHBondContact OD1-N 3.31Å; D350-M353 HydrophobicContact CB-CB 4.29Å; D350-M353 HydrophobicContact CB-CG 3.98Å; D350-M353 HydrophobicContact CB-SD 4.2Å; D350-M353 WeakPolarHBondContact O-CB 3.5Å; D350-M353 PolarHBondContact O-N 3.29Å; D350-V354 PolarHBondContact O-N 3.28Å; D350-V354 VanDerWaalsContact O-N 3.1Å
351	P	98.8	Very high	98.7	Very high	0 Å²	0	9.1 Å²	9.1	0%	0	4%	0.041	C	C	.	.	H	α-helix	trans	-59.2	-26	178.8	25.5	-37.3	0	0	0	113.4	I135 L220 W221 C349 M353 T355	I135-P351 HydrophobicContact CD1-CB 3.94Å; L220-P351 HydrophobicContact CB-CB 4.36Å; L220-P351 HydrophobicContact CB-CG 4.13Å; L220-P351 HydrophobicContact CD2-CB 3.78Å; L220-P351 HydrophobicContact CD2-CG 3.89Å; L220-P351 HydrophobicContact CG-CG 4.3Å; W221-P351 HydrophobicContact CG-CG 4.28Å; C349-P351 WeakPolarHBondContact O-CD 3.1Å; P351-M353 VanDerWaalsContact C-N 3.33Å; P351-T355 WeakPolarHBondContact O-CB 3.41Å; P351-T355 VanDerWaalsContact O-CG2 3.26Å; P351-T355 WeakPolarHBondContact O-CG2 3.4Å; P351-T355 PolarHBondContact O-N 3.25Å; P351-T355 PolarHBondContact O-OG1 3.43Å
352	Y	98.8	Very high	98.7	Very high	4 Å²	4	9.7 Å²	9.7	2%	0.016	4%	0.044	C	C	.	.	H	α-helix	trans	-65.8	-38	173.6	-62.6	-56	0	0	0	111.6	I35 L100 R116 C119 V214 D218 W221 D350 R356	I35-Y352 HydrophobicContact CD1-CD2 4.37Å; I35-Y352 HydrophobicContact CD1-CE2 4.04Å; L100-Y352 VanDerWaalsContact CD2-OH 3.31Å; L100-Y352 WeakPolarHBondContact CD2-OH 3.46Å; R116-Y352 HydrophobicContact CB-CD1 4.04Å; R116-Y352 HydrophobicContact CB-CD2 3.81Å; R116-Y352 HydrophobicContact CB-CE1 3.94Å; R116-Y352 HydrophobicContact CB-CE2 3.69Å; R116-Y352 HydrophobicContact CB-CG 3.98Å; R116-Y352 WeakPolarHBondContact CD-OH 3.41Å; R116-Y352 HydrophobicContact CG-CD1 3.97Å; R116-Y352 HydrophobicContact CG-CE1 3.55Å; R116-Y352 HydrophobicContact CG-CE2 4.12Å; R116-Y352 HydrophobicContact CG-CG 4.43Å; C119-Y352 HydrophobicContact CB-CD1 4.33Å; C119-Y352 PolarHBondContact SG-O 2.87Å; V214-Y352 HydrophobicContact CG2-CD1 4.2Å; V214-Y352 HydrophobicContact CG2-CE1 3.99Å; D218-Y352 VanDerWaalsContact OD1-CE1 3.3Å; D218-Y352 WeakPolarHBondContact OD1-CE1 3.26Å; D218-Y352 VanDerWaalsContact OD1-CZ 3.31Å; D218-Y352 PolarHBondContact OD1-OH 3.48Å; W221-Y352 AromaticContact CD1-CD2 3.73Å; W221-Y352 AromaticContact CD1-CE2 3.22Å; W221-Y352 AromaticContact CD1-CZ 3.76Å; W221-Y352 HydrophobicContact CG-CE2 4.36Å; W221-Y352 AromaticContact NE1-CD2 3.47Å; W221-Y352 AromaticContact NE1-CE2 3.44Å; D350-Y352 PolarHBondContact O-N 3.35Å; D350-Y352 VanDerWaalsContact O-N 3.15Å; D350-Y352 WeakPolarHBondContact OD1-CB 3.33Å; D350-Y352 VanDerWaalsContact OD1-CD2 3.26Å; D350-Y352 WeakPolarHBondContact OD1-CD2 3.41Å; D350-Y352 PolarHBondContact OD1-N 3.31Å; Y352-R356 WeakPolarHBondContact O-CB 3.42Å; Y352-R356 PolarHBondContact O-N 3.5Å; Y352-R356 VanDerWaalsContact O-N 3.16Å
353	M	98.6	Very high	98.7	Very high	22 Å²	22	10.7 Å²	10.7	11%	0.108	5%	0.051	C	C	.	.	H	α-helix	trans	-69.9	-46.6	175.9	-65.7	-175.7	75.4	0	0	111.1	H115 C290 D350 P351 R356 M357	H115-M353 HydrophobicContact CB-CG 3.9Å; H115-M353 PolarHBondContact CE1-SD 2.84Å; H115-M353 PolarHBondContact ND1-SD 2.92Å; H115-M353 VanDerWaalsContact ND1-SD 3.42Å; C290-M353 HydrophobicContact CB-CB 4.42Å; C290-M353 HydrophobicContact CB-CE 3.92Å; D350-M353 HydrophobicContact CB-CB 4.29Å; D350-M353 HydrophobicContact CB-CG 3.98Å; D350-M353 HydrophobicContact CB-SD 4.2Å; D350-M353 WeakPolarHBondContact O-CB 3.5Å; D350-M353 PolarHBondContact O-N 3.29Å; P351-M353 VanDerWaalsContact C-N 3.33Å; M353-R356 PolarHBondContact O-N 3.18Å; M353-M357 WeakPolarHBondContact O-CB 3.39Å; M353-M357 VanDerWaalsContact O-CG 3.26Å; M353-M357 WeakPolarHBondContact O-CG 3.24Å; M353-M357 PolarHBondContact O-N 3.43Å
354	V	98.9	Very high	98.6	Very high	0 Å²	0	15 Å²	15	0%	0	8%	0.075	C	C	.	.	H	α-helix	trans	-61.1	-51.9	-178	176.6	0	0	0	0	111.4	T256 Y291 P345 C349 D350 M357 L358	T256-V354 HydrophobicContact CG2-CG1 4.28Å; Y291-V354 HydrophobicContact CD1-CB 4.46Å; Y291-V354 HydrophobicContact CD1-CG1 4.45Å; Y291-V354 HydrophobicContact CD1-CG2 3.81Å; Y291-V354 HydrophobicContact CE1-CB 4.19Å; Y291-V354 HydrophobicContact CE1-CG1 3.9Å; Y291-V354 HydrophobicContact CE1-CG2 4.04Å; P345-V354 HydrophobicContact CB-CG1 4.31Å; P345-V354 HydrophobicContact CB-CG2 4.11Å; P345-V354 HydrophobicContact CG-CG1 3.72Å; P345-V354 HydrophobicContact CG-CG2 4.32Å; C349-V354 HydrophobicContact CB-CG2 3.78Å; D350-V354 PolarHBondContact O-N 3.28Å; D350-V354 VanDerWaalsContact O-N 3.1Å; V354-M357 PolarHBondContact O-N 3.09Å; V354-L358 HydrophobicContact CG1-CD1 4.22Å; V354-L358 WeakPolarHBondContact O-CG 3.31Å; V354-L358 PolarHBondContact O-N 2.96Å
355	T	98.9	Very high	98.6	Very high	0 Å²	0	15.7 Å²	15.7	0%	0	8%	0.079	C	C	.	.	H	α-helix	trans	-67.7	-38.3	-177.6	57.4	0	0	0	0	111.9	M123 F133 I135 A216 P351 L358 V359	M123-T355 WeakPolarHBondContact CE-O 3.12Å; F133-T355 HydrophobicContact CB-CG2 4.39Å; F133-T355 HydrophobicContact CD1-CG2 3.7Å; F133-T355 HydrophobicContact CD2-CG2 4.02Å; F133-T355 HydrophobicContact CE1-CG2 3.86Å; F133-T355 HydrophobicContact CE2-CG2 4.19Å; F133-T355 HydrophobicContact CG-CG2 3.76Å; F133-T355 HydrophobicContact CZ-CG2 4.1Å; I135-T355 HydrophobicContact CD1-CG2 4.31Å; A216-T355 HydrophobicContact CB-CG2 4.12Å; P351-T355 WeakPolarHBondContact O-CB 3.41Å; P351-T355 VanDerWaalsContact O-CG2 3.26Å; P351-T355 WeakPolarHBondContact O-CG2 3.4Å; P351-T355 PolarHBondContact O-N 3.25Å; P351-T355 PolarHBondContact O-OG1 3.43Å; T355-L358 PolarHBondContact O-N 3.35Å; T355-V359 PolarHBondContact O-N 3.22Å
356	R	98.8	Very high	98.6	Very high	48 Å²	48	16.5 Å²	16.5	18%	0.181	8%	0.083	C	C	.	.	H	α-helix	trans	-57.7	-52.2	171.7	-178.3	-172	71.3	134.4	-0.8	111.4	C119 V122 Y352 M353 L358 V359 E360	C119-R356 HydrophobicContact CB-CB 4.09Å; V122-R356 HydrophobicContact CB-CG 4.03Å; V122-R356 HydrophobicContact CG1-CG 4.25Å; V122-R356 HydrophobicContact CG2-CG 3.82Å; Y352-R356 WeakPolarHBondContact O-CB 3.42Å; Y352-R356 PolarHBondContact O-N 3.5Å; Y352-R356 VanDerWaalsContact O-N 3.16Å; M353-R356 PolarHBondContact O-N 3.18Å; R356-L358 VanDerWaalsContact C-N 3.33Å; R356-L358 PolarHBondContact O-N 2.67Å; R356-V359 PolarHBondContact O-N 3.45Å; R356-E360 VanDerWaalsContact O-CB 3.29Å; R356-E360 WeakPolarHBondContact O-CB 3.49Å; R356-E360 PolarHBondContact O-N 2.97Å
357	M	98.7	Very high	98.6	Very high	13 Å²	13	17.4 Å²	17.4	6%	0.064	9%	0.087	C	C	.	.	H	α-helix	trans	-61.6	-40.4	-177.3	-73.6	-61.3	-66.2	0	0	112	E286 H287 C290 M353 V354 V359 T361	E286-M357 HydrophobicContact CB-CE 4.07Å; H287-M357 PolarHBondContact CE1-O 3.45Å; C290-M357 HydrophobicContact CB-CG 3.75Å; M353-M357 WeakPolarHBondContact O-CB 3.39Å; M353-M357 VanDerWaalsContact O-CG 3.26Å; M353-M357 WeakPolarHBondContact O-CG 3.24Å; M353-M357 PolarHBondContact O-N 3.43Å; V354-M357 PolarHBondContact O-N 3.09Å; M357-V359 VanDerWaalsContact C-N 3.35Å; M357-V359 PolarHBondContact O-N 3.22Å; M357-T361 VanDerWaalsContact O-CB 3.3Å; M357-T361 WeakPolarHBondContact O-CB 3.39Å; M357-T361 PolarHBondContact O-N 3.46Å; M357-T361 PolarHBondContact O-OG1 3.44Å
358	L	98.9	Very high	98.6	Very high	0 Å²	0	18.5 Å²	18.5	0%	0	9%	0.092	C	C	.	.	H	α-helix	trans	-59.1	-45.9	175.3	-75.1	169.5	0	0	0	111.7	F133 T256 Y258 L280 D342 V354 T355 R356 T362	F133-L358 HydrophobicContact CD1-CD1 4.37Å; F133-L358 HydrophobicContact CE1-CB 4.26Å; F133-L358 HydrophobicContact CE1-CD1 4.04Å; T256-L358 HydrophobicContact CG2-CD1 3.57Å; Y258-L358 HydrophobicContact CD1-CB 4.42Å; Y258-L358 HydrophobicContact CD1-CD2 4.49Å; Y258-L358 HydrophobicContact CE1-CB 4.5Å; Y258-L358 HydrophobicContact CG-CD1 4.41Å; L280-L358 HydrophobicContact CD1-CD2 4.3Å; L280-L358 HydrophobicContact CD2-CD2 3.9Å; D342-L358 HydrophobicContact CB-CD2 4.45Å; V354-L358 HydrophobicContact CG1-CD1 4.22Å; V354-L358 WeakPolarHBondContact O-CG 3.31Å; V354-L358 PolarHBondContact O-N 2.96Å; T355-L358 PolarHBondContact O-N 3.35Å; R356-L358 VanDerWaalsContact C-N 3.33Å; R356-L358 PolarHBondContact O-N 2.67Å; L358-T362 VanDerWaalsContact O-CB 3.31Å; L358-T362 WeakPolarHBondContact O-CB 3.31Å; L358-T362 VanDerWaalsContact O-CG2 3.24Å; L358-T362 WeakPolarHBondContact O-CG2 3.47Å; L358-T362 PolarHBondContact O-N 3.15Å; L358-T362 VanDerWaalsContact O-N 3.09Å; L358-T362 PolarHBondContact O-OG1 3.2Å
359	V	98.8	Very high	98.6	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	10%	0.098	C	C	.	.	H	α-helix	trans	-73.3	-43.8	-178.6	172.8	0	0	0	0	111.6	V122 M123 A126 P131 F133 Y258 T355 R356 M357 T361 T362 C363	V122-V359 HydrophobicContact CG1-CB 4.09Å; V122-V359 HydrophobicContact CG1-CG1 3.76Å; M123-V359 HydrophobicContact CE-CB 4.43Å; M123-V359 HydrophobicContact CE-CG2 3.89Å; M123-V359 HydrophobicContact SD-CB 4.34Å; M123-V359 HydrophobicContact SD-CG1 4.42Å; M123-V359 HydrophobicContact SD-CG2 3.82Å; A126-V359 HydrophobicContact CB-CG1 3.27Å; P131-V359 HydrophobicContact CB-CG2 3.75Å; P131-V359 HydrophobicContact CG-CG2 4.09Å; F133-V359 HydrophobicContact CE1-CG2 4.48Å; F133-V359 HydrophobicContact CE2-CG2 4.44Å; F133-V359 HydrophobicContact CZ-CG2 3.61Å; Y258-V359 HydrophobicContact CE2-CG2 4.12Å; T355-V359 PolarHBondContact O-N 3.22Å; R356-V359 PolarHBondContact O-N 3.45Å; M357-V359 VanDerWaalsContact C-N 3.35Å; M357-V359 PolarHBondContact O-N 3.22Å; V359-T361 VanDerWaalsContact C-N 3.32Å; V359-T361 PolarHBondContact O-N 3.07Å; V359-T362 PolarHBondContact O-N 2.96Å; V359-C363 HydrophobicContact CG1-CB 4.2Å; V359-C363 WeakPolarHBondContact O-CA 3.33Å; V359-C363 VanDerWaalsContact O-CB 3.28Å; V359-C363 WeakPolarHBondContact O-CB 3.29Å; V359-C363 PolarHBondContact O-N 3.4Å
360	E	98.5	Very high	98.6	Very high	69 Å²	69	20.7 Å²	20.7	32%	0.322	10%	0.103	S	C	.	.	H	α-helix	trans	-61.1	-41.3	179	-172.5	163.5	-155.2	0	0	111.4	V122 R356 L364	V122-E360 HydrophobicContact CG1-CB 4.21Å; R356-E360 VanDerWaalsContact O-CB 3.29Å; R356-E360 WeakPolarHBondContact O-CB 3.49Å; R356-E360 PolarHBondContact O-N 2.97Å; E360-L364 CarbonylContact O-C 3.54Å; E360-L364 PolarHBondContact O-N 2.88Å; E360-L364 VanDerWaalsContact O-OXT 3.04Å
361	T	98.7	Very high	98.5	Very high	7 Å²	7	22 Å²	22	4%	0.043	11%	0.11	C	C	.	.	H	α-helix	trans	-74.3	-33.8	177.7	-65.4	0	0	0	0	113.2	K279 L280 K283 H287 M357 V359	K279-T361 HydrophobicContact CB-CG2 4.16Å; K279-T361 VanDerWaalsContact CD-O 3.27Å; K279-T361 WeakPolarHBondContact CD-O 3.45Å; L280-T361 HydrophobicContact CD2-CG2 3.92Å; L280-T361 HydrophobicContact CG-CG2 4.44Å; K283-T361 HydrophobicContact CB-CG2 4.28Å; K283-T361 HydrophobicContact CD-CG2 3.93Å; K283-T361 WeakPolarHBondContact CD-OG1 3.42Å; K283-T361 HydrophobicContact CG-CG2 4.39Å; H287-T361 WeakPolarHBondContact NE2-CB 3.34Å; H287-T361 PolarHBondContact NE2-OG1 3.27Å; M357-T361 VanDerWaalsContact O-CB 3.3Å; M357-T361 WeakPolarHBondContact O-CB 3.39Å; M357-T361 PolarHBondContact O-N 3.46Å; M357-T361 PolarHBondContact O-OG1 3.44Å; V359-T361 VanDerWaalsContact C-N 3.32Å; V359-T361 PolarHBondContact O-N 3.07Å
362	T	98.6	Very high	98.5	Very high	13 Å²	13	23.7 Å²	23.7	8%	0.08	12%	0.118	C	C	.	.	H	α-helix	trans	-97.2	-28.2	-170.7	62.1	0	0	0	0	114.1	Y258 A276 K279 L280 L358 V359	Y258-T362 HydrophobicContact CE1-CG2 4.07Å; Y258-T362 VanDerWaalsContact CE1-OG1 3.28Å; Y258-T362 WeakPolarHBondContact CE1-OG1 3.36Å; Y258-T362 PolarHBondContact OH-OG1 3.25Å; A276-T362 HydrophobicContact CB-CG2 3.8Å; K279-T362 PolarHBondContact NZ-O 3.22Å; L280-T362 HydrophobicContact CD1-CG2 4.37Å; L280-T362 HydrophobicContact CD2-CG2 4.13Å; L280-T362 HydrophobicContact CG-CG2 4.01Å; L358-T362 VanDerWaalsContact O-CB 3.31Å; L358-T362 WeakPolarHBondContact O-CB 3.31Å; L358-T362 VanDerWaalsContact O-CG2 3.24Å; L358-T362 WeakPolarHBondContact O-CG2 3.47Å; L358-T362 PolarHBondContact O-N 3.15Å; L358-T362 VanDerWaalsContact O-N 3.09Å; L358-T362 PolarHBondContact O-OG1 3.2Å; V359-T362 PolarHBondContact O-N 2.96Å
363	C	98.1	Very high	98.5	Very high	21 Å²	21	25.3 Å²	25.3	14%	0.142	13%	0.127	C	C	.	.	H	α-helix	trans	-111.5	-29.6	-174.1	-63.2	0	0	0	0	114.5	A126 Y258 V359	A126-C363 HydrophobicContact CB-CB 4.12Å; Y258-C363 PolarHBondContact OH-SG 3.34Å; Y258-C363 VanDerWaalsContact OH-SG 3.39Å; V359-C363 HydrophobicContact CG1-CB 4.2Å; V359-C363 WeakPolarHBondContact O-CA 3.33Å; V359-C363 VanDerWaalsContact O-CB 3.28Å; V359-C363 WeakPolarHBondContact O-CB 3.29Å; V359-C363 PolarHBondContact O-N 3.4Å
364	L	96.5	Very high	98.5	Very high	111 Å²	111	25.6 Å²	25.6	58%	0.581	13%	0.128	S	C	*	.			trans	-109.5	0	-178.1	-53.6	-178.8	0	0	0	110.7	V122 K125 A126 E360	V122-L364 HydrophobicContact CG1-CD1 4.01Å; K125-L364 HydrophobicContact CB-CD1 4.14Å; K125-L364 HydrophobicContact CB-CD2 4.38Å; K125-L364 HydrophobicContact CD-CD1 4.38Å; A126-L364 HydrophobicContact CB-CD2 4.44Å; E360-L364 CarbonylContact O-C 3.54Å; E360-L364 PolarHBondContact O-N 2.88Å; E360-L364 VanDerWaalsContact O-OXT 3.04Å

Retrieved 364 of 364 residues in 531.3 ms (Link to these results)

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