A0A3Q0KN25_SCHMA Loading...

Peptidase C1 family

AlphaFold DB , UniProt , Accession A0A3Q0KN25, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 345 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	56.1	Low	64.9	Low	205 Å²	205	114.7 Å²	114.7	100%	1.01	59%	0.587	S	S	*	*				0	-42.9	0	-129.3	167.8	76.9	0	0	113.1	I3	M1-I3 PolarHBondContact O-N 3.34Å
2	I	63.5	Low	64.8	Low	137 Å²	137	109.3 Å²	109.3	70%	0.703	57%	0.567	S	S	*	*	H	α-helix	trans	-64.2	-35.9	-178.4	-63.2	170.3	0	0	0	113.3	N4 F5 L6	I2-N4 PolarHBondContact O-N 2.79Å; I2-F5 PolarHBondContact O-N 2.74Å; I2-L6 HydrophobicContact CG2-CD1 4.07Å; I2-L6 PolarHBondContact O-N 3.11Å
3	I	65.9	Low	64.3	Low	125 Å²	125	111.7 Å²	111.7	64%	0.641	57%	0.571	S	S	*	*	H	α-helix	trans	-65	-40.2	-178	-63.2	171.4	0	0	0	112.4	M1 F5 L6 I7	M1-I3 PolarHBondContact O-N 3.34Å; I3-F5 PolarHBondContact O-N 3.04Å; I3-L6 PolarHBondContact O-N 3.28Å; I3-I7 HydrophobicContact CG2-CD1 4.07Å; I3-I7 WeakPolarHBondContact O-CG1 3.33Å; I3-I7 PolarHBondContact O-N 3.12Å
4	N	62	Low	64	Low	114 Å²	114	110.9 Å²	110.9	61%	0.61	57%	0.568	S	S	*	*	H	α-helix	trans	-68.8	-33.5	179.5	-77.4	-0.8	0	0	0	112.6	I2 I8	I2-N4 PolarHBondContact O-N 2.79Å; N4-I8 WeakPolarHBondContact O-CG1 3.35Å; N4-I8 PolarHBondContact O-N 2.87Å
5	F	62.1	Low	63.8	Low	142 Å²	142	110.2 Å²	110.2	62%	0.623	56%	0.564	S	S	*	*	H	α-helix	trans	-67.5	-39.5	175.4	-106.4	-86.5	0	0	0	112	I2 I3 I8 I9	I2-F5 PolarHBondContact O-N 2.74Å; I3-F5 PolarHBondContact O-N 3.04Å; F5-I8 PolarHBondContact O-N 2.87Å; F5-I9 VanDerWaalsContact O-CG1 3.3Å; F5-I9 WeakPolarHBondContact O-CG1 3.25Å; F5-I9 PolarHBondContact O-N 3.15Å; F5-I9 VanDerWaalsContact O-N 3.09Å
6	L	64.1	Low	63.1	Low	96 Å²	96	110.4 Å²	110.4	50%	0.503	57%	0.566	S	S	.	*	H	α-helix	trans	-64.4	-40.4	177.1	-104.6	139.5	0	0	0	112.4	I2 I3 I9 I10	I2-L6 HydrophobicContact CG2-CD1 4.07Å; I2-L6 PolarHBondContact O-N 3.11Å; I3-L6 PolarHBondContact O-N 3.28Å; L6-I9 PolarHBondContact O-N 3.02Å; L6-I10 HydrophobicContact CD2-CD1 4.18Å; L6-I10 WeakPolarHBondContact O-CB 3.18Å; L6-I10 WeakPolarHBondContact O-CD1 3.1Å; L6-I10 WeakPolarHBondContact O-CG1 3.38Å; L6-I10 PolarHBondContact O-N 3.16Å
7	I	69	Low	62.5	Low	101 Å²	101	106.8 Å²	106.8	52%	0.518	55%	0.553	S	S	.	*	H	α-helix	trans	-65.1	-41	178.5	-66.3	168.8	0	0	0	111.5	I3 I10 S11	I3-I7 HydrophobicContact CG2-CD1 4.07Å; I3-I7 WeakPolarHBondContact O-CG1 3.33Å; I3-I7 PolarHBondContact O-N 3.12Å; I7-I10 PolarHBondContact O-N 2.68Å; I7-S11 PolarHBondContact O-N 3.05Å; I7-S11 PolarHBondContact O-OG 3.04Å
8	I	68.6	Low	62.1	Low	109 Å²	109	108.2 Å²	108.2	56%	0.559	56%	0.555	S	S	*	*	H	α-helix	trans	-68	-39.7	178.8	-65.5	167.5	0	0	0	111.4	N4 F5 S11 S12	N4-I8 WeakPolarHBondContact O-CG1 3.35Å; N4-I8 PolarHBondContact O-N 2.87Å; F5-I8 PolarHBondContact O-N 2.87Å; I8-S11 PolarHBondContact O-OG 3.22Å; I8-S12 WeakPolarHBondContact O-CB 3.45Å; I8-S12 PolarHBondContact O-N 3.49Å; I8-S12 PolarHBondContact O-OG 3.15Å
9	I	67.7	Low	61.6	Low	86 Å²	86	105.4 Å²	105.4	44%	0.441	54%	0.541	S	S	.	.	H	α-helix	trans	-65.9	-45.8	177.1	-67	168.8	0	0	0	109.8	F5 L6 S11 S12 F13	F5-I9 VanDerWaalsContact O-CG1 3.3Å; F5-I9 WeakPolarHBondContact O-CG1 3.25Å; F5-I9 PolarHBondContact O-N 3.15Å; F5-I9 VanDerWaalsContact O-N 3.09Å; L6-I9 PolarHBondContact O-N 3.02Å; I9-S11 PolarHBondContact O-N 3.5Å; I9-S12 PolarHBondContact O-N 3Å; I9-S12 PolarHBondContact O-OG 3.15Å; I9-F13 HydrophobicContact CG2-CD2 3.73Å; I9-F13 HydrophobicContact CG2-CE2 3.94Å; I9-F13 WeakPolarHBondContact O-CD2 3.13Å; I9-F13 PolarHBondContact O-N 2.92Å
10	I	68.1	Low	61.2	Low	93 Å²	93	103.5 Å²	103.5	48%	0.477	54%	0.537	S	S	.	.	H	α-helix	trans	-62.9	-41.4	179.4	-66.5	164.7	0	0	0	111.2	L6 I7 F13 L14	L6-I10 HydrophobicContact CD2-CD1 4.18Å; L6-I10 WeakPolarHBondContact O-CB 3.18Å; L6-I10 WeakPolarHBondContact O-CD1 3.1Å; L6-I10 WeakPolarHBondContact O-CG1 3.38Å; L6-I10 PolarHBondContact O-N 3.16Å; I7-I10 PolarHBondContact O-N 2.68Å; I10-F13 PolarHBondContact O-N 3.44Å; I10-L14 HydrophobicContact CG2-CD1 3.84Å; I10-L14 HydrophobicContact CG2-CG 4.36Å; I10-L14 WeakPolarHBondContact O-CB 3.21Å; I10-L14 VanDerWaalsContact O-CG 3.27Å; I10-L14 WeakPolarHBondContact O-CG 3.38Å; I10-L14 PolarHBondContact O-N 3.44Å
11	S	67.1	Low	60.7	Low	54 Å²	54	104.2 Å²	104.2	38%	0.378	54%	0.538	S	S	.	.	H	α-helix	trans	-66.4	-40.6	177.1	66.4	0	0	0	0	112.2	I7 I8 I9 L14 I15	I7-S11 PolarHBondContact O-N 3.05Å; I7-S11 PolarHBondContact O-OG 3.04Å; I8-S11 PolarHBondContact O-OG 3.22Å; I9-S11 PolarHBondContact O-N 3.5Å; S11-L14 PolarHBondContact O-N 3.12Å; S11-I15 WeakPolarHBondContact O-CD1 3.47Å; S11-I15 WeakPolarHBondContact O-CG1 3.25Å; S11-I15 PolarHBondContact O-N 3.03Å
12	S	63.1	Low	60.5	Low	49 Å²	49	97.3 Å²	97.3	34%	0.343	50%	0.504	S	S	.	.	H	α-helix	trans	-65	-38.8	176.6	68.4	0	0	0	0	113	I8 I9 I15 L16	I8-S12 WeakPolarHBondContact O-CB 3.45Å; I8-S12 PolarHBondContact O-N 3.49Å; I8-S12 PolarHBondContact O-OG 3.15Å; I9-S12 PolarHBondContact O-N 3Å; I9-S12 PolarHBondContact O-OG 3.15Å; S12-I15 PolarHBondContact O-N 3.03Å; S12-L16 WeakPolarHBondContact O-CB 3.29Å; S12-L16 WeakPolarHBondContact O-CG 3.43Å; S12-L16 PolarHBondContact O-N 3.29Å
13	F	59.3	Low	60.1	Low	141 Å²	141	98 Å²	98	62%	0.618	50%	0.499	S	S	*	.	H	α-helix	trans	-69	-40.4	175.5	-95.1	-84.8	0	0	0	112.3	I9 I10 I15 L16 S17	I9-F13 HydrophobicContact CG2-CD2 3.73Å; I9-F13 HydrophobicContact CG2-CE2 3.94Å; I9-F13 WeakPolarHBondContact O-CD2 3.13Å; I9-F13 PolarHBondContact O-N 2.92Å; I10-F13 PolarHBondContact O-N 3.44Å; F13-I15 VanDerWaalsContact C-N 3.31Å; F13-I15 PolarHBondContact O-N 2.9Å; F13-L16 PolarHBondContact O-N 2.63Å; F13-S17 WeakPolarHBondContact O-CB 3.47Å; F13-S17 PolarHBondContact O-N 2.97Å; F13-S17 PolarHBondContact O-OG 3.36Å
14	L	59.1	Low	59	Low	101 Å²	101	96.3 Å²	96.3	53%	0.529	49%	0.491	S	S	.	.	H	α-helix	trans	-63.8	-37.4	175.5	-74.4	169.6	0	0	0	111.7	I10 S11 S17 F18	I10-L14 HydrophobicContact CG2-CD1 3.84Å; I10-L14 HydrophobicContact CG2-CG 4.36Å; I10-L14 WeakPolarHBondContact O-CB 3.21Å; I10-L14 VanDerWaalsContact O-CG 3.27Å; I10-L14 WeakPolarHBondContact O-CG 3.38Å; I10-L14 PolarHBondContact O-N 3.44Å; S11-L14 PolarHBondContact O-N 3.12Å; L14-S17 PolarHBondContact O-OG 3.14Å; L14-S17 VanDerWaalsContact O-OG 3.12Å; L14-F18 WeakPolarHBondContact O-CB 3.32Å; L14-F18 PolarHBondContact O-N 3.44Å
15	I	61.8	Low	58.3	Low	100 Å²	100	94.5 Å²	94.5	51%	0.513	48%	0.479	S	S	.	.	H	α-helix	trans	-68	-43.8	175.4	-66.6	162.2	0	0	0	110.7	S11 S12 F13 N19	S11-I15 WeakPolarHBondContact O-CD1 3.47Å; S11-I15 WeakPolarHBondContact O-CG1 3.25Å; S11-I15 PolarHBondContact O-N 3.03Å; S12-I15 PolarHBondContact O-N 3.03Å; F13-I15 VanDerWaalsContact C-N 3.31Å; F13-I15 PolarHBondContact O-N 2.9Å; I15-N19 WeakPolarHBondContact O-CB 3.44Å; I15-N19 PolarHBondContact O-N 3.39Å; I15-N19 PolarHBondContact O-ND2 3.03Å; I15-N19 VanDerWaalsContact O-ND2 3.13Å
16	L	51.5	Low	57.7	Low	113 Å²	113	91.9 Å²	91.9	59%	0.592	48%	0.478	S	S	*	.	H	α-helix	trans	-67	-39.6	178.4	-77.4	165	0	0	0	112.5	S12 F13 N19 C20	S12-L16 WeakPolarHBondContact O-CB 3.29Å; S12-L16 WeakPolarHBondContact O-CG 3.43Å; S12-L16 PolarHBondContact O-N 3.29Å; F13-L16 PolarHBondContact O-N 2.63Å; L16-N19 PolarHBondContact O-N 3.49Å; L16-C20 WeakPolarHBondContact O-CB 3.47Å; L16-C20 PolarHBondContact O-N 3.37Å
17	S	54.2	Low	56.7	Low	50 Å²	50	96.8 Å²	96.8	35%	0.35	49%	0.49	S	S	.	.	H	α-helix	trans	-69.1	-41.6	176.5	65.4	0	0	0	0	111.7	F13 L14 N19 C20 E21	F13-S17 WeakPolarHBondContact O-CB 3.47Å; F13-S17 PolarHBondContact O-N 2.97Å; F13-S17 PolarHBondContact O-OG 3.36Å; L14-S17 PolarHBondContact O-OG 3.14Å; L14-S17 VanDerWaalsContact O-OG 3.12Å; S17-N19 VanDerWaalsContact C-N 3.32Å; S17-N19 PolarHBondContact O-N 3.09Å; S17-C20 PolarHBondContact O-N 2.82Å; S17-E21 PolarHBondContact O-N 2.91Å
18	F	55.3	Low	55.3	Low	132 Å²	132	98.5 Å²	98.5	58%	0.579	50%	0.501	S	S	*	.	H	α-helix	trans	-60.7	-42.7	173.5	-113	-93.8	0	0	0	111.8	L14 C20 E21 L22	L14-F18 WeakPolarHBondContact O-CB 3.32Å; L14-F18 PolarHBondContact O-N 3.44Å; F18-C20 VanDerWaalsContact C-N 3.33Å; F18-C20 PolarHBondContact O-N 2.86Å; F18-E21 PolarHBondContact O-N 2.68Å; F18-L22 WeakPolarHBondContact O-CB 3.46Å; F18-L22 VanDerWaalsContact O-CG 3.31Å; F18-L22 WeakPolarHBondContact O-CG 3.16Å; F18-L22 PolarHBondContact O-N 3.42Å
19	N	52.9	Low	54.1	Low	54 Å²	54	97.1 Å²	97.1	29%	0.289	50%	0.495	S	S	.	.	H	α-helix	trans	-66.6	-35.3	177.8	-71.7	-24.3	0	0	0	112	I15 L16 S17 Y23	I15-N19 WeakPolarHBondContact O-CB 3.44Å; I15-N19 PolarHBondContact O-N 3.39Å; I15-N19 PolarHBondContact O-ND2 3.03Å; I15-N19 VanDerWaalsContact O-ND2 3.13Å; L16-N19 PolarHBondContact O-N 3.49Å; S17-N19 VanDerWaalsContact C-N 3.32Å; S17-N19 PolarHBondContact O-N 3.09Å; N19-Y23 VanDerWaalsContact O-CB 3.29Å; N19-Y23 WeakPolarHBondContact O-CB 3.38Å; N19-Y23 PolarHBondContact O-N 3.49Å
20	C	51.9	Low	52.8	Low	68 Å²	68	100.4 Å²	100.4	46%	0.459	51%	0.513	S	S	.	.	H	α-helix	trans	-73.8	-37	177.6	-158.7	0	0	0	0	112.5	L16 S17 F18 Y23 N24	L16-C20 WeakPolarHBondContact O-CB 3.47Å; L16-C20 PolarHBondContact O-N 3.37Å; S17-C20 PolarHBondContact O-N 2.82Å; F18-C20 VanDerWaalsContact C-N 3.33Å; F18-C20 PolarHBondContact O-N 2.86Å; C20-Y23 PolarHBondContact O-N 2.93Å; C20-N24 PolarHBondContact O-N 3.44Å
21	E	51	Low	51.3	Low	119 Å²	119	102.5 Å²	102.5	56%	0.556	53%	0.525	S	S	*	.	H	α-helix	trans	-68.8	-40.8	175.3	-77.8	179.3	178.5	0	0	111.9	S17 F18 Y23 N24 Q25	S17-E21 PolarHBondContact O-N 2.91Å; F18-E21 PolarHBondContact O-N 2.68Å; E21-Y23 VanDerWaalsContact C-N 3.31Å; E21-Y23 PolarHBondContact O-N 3.16Å; E21-N24 PolarHBondContact O-N 2.91Å; E21-Q25 WeakPolarHBondContact O-CB 3.33Å; E21-Q25 WeakPolarHBondContact O-CG 3.32Å; E21-Q25 PolarHBondContact O-N 3.38Å
22	L	52.4	Low	50.2	Low	59 Å²	59	106.6 Å²	106.6	31%	0.309	54%	0.543	S	S	.	.	H	α-helix	trans	-63.4	-37.9	172.7	-73.1	170.7	0	0	0	111.9	F18 S26	F18-L22 WeakPolarHBondContact O-CB 3.46Å; F18-L22 VanDerWaalsContact O-CG 3.31Å; F18-L22 WeakPolarHBondContact O-CG 3.16Å; F18-L22 PolarHBondContact O-N 3.42Å; L22-S26 PolarHBondContact O-N 3.13Å
23	Y	54.5	Low	49.1	Very low	152 Å²	152	111 Å²	111	60%	0.596	56%	0.563	S	S	*	*	H	α-helix	trans	-67.6	-41.9	176.9	-174.3	-99.5	0	0	0	112.6	N19 C20 E21 S26	N19-Y23 VanDerWaalsContact O-CB 3.29Å; N19-Y23 WeakPolarHBondContact O-CB 3.38Å; N19-Y23 PolarHBondContact O-N 3.49Å; C20-Y23 PolarHBondContact O-N 2.93Å; E21-Y23 VanDerWaalsContact C-N 3.31Å; E21-Y23 PolarHBondContact O-N 3.16Å; Y23-S26 PolarHBondContact O-N 2.89Å; Y23-S26 PolarHBondContact O-OG 3.24Å; Y23-S26 VanDerWaalsContact O-OG 3.09Å
24	N	42.7	Very low	48.5	Very low	90 Å²	90	111.6 Å²	111.6	48%	0.481	57%	0.572	S	S	.	*	H	α-helix	trans	-72.6	-34.2	177.4	-75.9	-19.3	0	0	0	112.4	C20 E21 S26 W27 D28	C20-N24 PolarHBondContact O-N 3.44Å; E21-N24 PolarHBondContact O-N 2.91Å; N24-S26 PolarHBondContact O-N 3.35Å; N24-W27 PolarHBondContact O-N 3.45Å; N24-D28 PolarHBondContact O-N 3.37Å
25	Q	48.3	Very low	48.1	Very low	75 Å²	75	111.6 Å²	111.6	35%	0.35	57%	0.573	S	S	.	*	H	α-helix	trans	-64.5	-26.7	175	-84	179.2	-11.7	0	0	113.4	E21 W27 N29	E21-Q25 WeakPolarHBondContact O-CB 3.33Å; E21-Q25 WeakPolarHBondContact O-CG 3.32Å; E21-Q25 PolarHBondContact O-N 3.38Å; Q25-W27 VanDerWaalsContact C-N 3.29Å; Q25-W27 PolarHBondContact O-N 3.47Å; Q25-N29 PolarHBondContact O-ND2 2.88Å
26	S	49.5	Very low	47.9	Very low	87 Å²	87	115.1 Å²	115.1	61%	0.608	59%	0.592	S	S	*	*	H	α-helix	trans	-74.7	-18.1	176.9	84.1	0	0	0	0	113.4	L22 Y23 N24	L22-S26 PolarHBondContact O-N 3.13Å; Y23-S26 PolarHBondContact O-N 2.89Å; Y23-S26 PolarHBondContact O-OG 3.24Å; Y23-S26 VanDerWaalsContact O-OG 3.09Å; N24-S26 PolarHBondContact O-N 3.35Å
27	W	42.1	Very low	48.8	Very low	199 Å²	199	112.4 Å²	112.4	75%	0.754	58%	0.581	S	S	*	*	H	α-helix	trans	-103	-31.3	-177.9	-83.8	80.7	0	0	0	114.1	N24 Q25	N24-W27 PolarHBondContact O-N 3.45Å; Q25-W27 VanDerWaalsContact C-N 3.29Å; Q25-W27 PolarHBondContact O-N 3.47Å
28	D	40.9	Very low	49.7	Very low	138 Å²	138	114.8 Å²	114.8	74%	0.738	59%	0.588	S	S	*	*	H	α-helix	trans	-94.9	-3.9	-172.4	-95.6	-18	0	0	0	116.2	N24 N30	N24-D28 PolarHBondContact O-N 3.37Å; D28-N30 PolarHBondContact O-N 2.92Å; D28-N30 VanDerWaalsContact O-N 3.08Å
29	N	42.2	Very low	51.2	Low	80 Å²	80	112.9 Å²	112.9	43%	0.428	59%	0.585	S	S	.	*			trans	-89.9	72.7	-177.9	-77.8	-26.5	0	0	0	113.2	Q25	Q25-N29 PolarHBondContact O-ND2 2.88Å
30	N	40.9	Very low	52.9	Low	155 Å²	155	111.9 Å²	111.9	83%	0.829	58%	0.577	S	S	*	*	S	Bend	trans	-115.9	9.8	158.6	-114.3	-22.4	0	0	0	113.3	D28	D28-N30 PolarHBondContact O-N 2.92Å; D28-N30 VanDerWaalsContact O-N 3.08Å
31	N	37.2	Very low	54.7	Low	136 Å²	136	114.4 Å²	114.4	73%	0.727	58%	0.578	S	S	*	*	S	Bend	trans	-147.1	121.8	176.3	-77.9	-53.3	0	0	0	112.1
32	N	42.6	Very low	56.6	Low	141 Å²	141	113.5 Å²	113.5	75%	0.754	58%	0.576	S	S	*	*			trans	79.8	104.5	164	-59.1	-36.5	0	0	0	119.8
33	N	40.9	Very low	58.5	Low	142 Å²	142	113.9 Å²	113.9	76%	0.759	58%	0.578	S	S	*	*	S	Bend	trans	47.4	115.9	134	-64.8	-23.4	0	0	0	120.7
34	N	47.6	Very low	60.3	Low	153 Å²	153	106.6 Å²	106.6	82%	0.818	55%	0.549	S	S	*	.			trans	70.4	35.4	151.3	-70.8	-4.6	0	0	0	119.8
35	N	49.9	Very low	62.7	Low	101 Å²	101	105.1 Å²	105.1	54%	0.54	54%	0.541	S	S	.	.			trans	-97.5	108.6	157.4	-79.3	-20.1	0	0	0	109.4	T37	N35-T37 HydrophobicContact CB-CG2 4.12Å; N35-T37 PolarHBondContact O-N 2.94Å; N35-T37 PolarHBondContact O-OG1 3.44Å
36	N	58	Low	64.7	Low	173 Å²	173	105.2 Å²	105.2	93%	0.925	55%	0.547	S	S	*	.			trans	-68.3	47.3	168.5	-77.2	-19.9	0	0	0	111.1
37	T	70.3	Confident	66.8	Low	56 Å²	56	101.5 Å²	101.5	34%	0.344	52%	0.519	S	S	.	.			trans	-76.8	123.5	174.8	43.7	0	0	0	0	108.4	N35 D39	N35-T37 HydrophobicContact CB-CG2 4.12Å; N35-T37 PolarHBondContact O-N 2.94Å; N35-T37 PolarHBondContact O-OG1 3.44Å; T37-D39 PolarHBondContact O-N 3.11Å
38	I	72.7	Confident	69.2	Low	100 Å²	100	92.8 Å²	92.8	51%	0.513	49%	0.487	S	S	.	.			trans	-59.7	119.9	174.1	-64.2	172.4	0	0	0	108	Y40	I38-Y40 VanDerWaalsContact C-N 3.31Å; I38-Y40 HydrophobicContact CB-CD2 4.39Å; I38-Y40 HydrophobicContact CB-CE2 4.19Å; I38-Y40 HydrophobicContact CG2-CD2 4.23Å; I38-Y40 HydrophobicContact CG2-CE2 4.27Å; I38-Y40 HydrophobicContact CG2-CG 4.41Å; I38-Y40 WeakPolarHBondContact O-CD2 3.44Å; I38-Y40 PolarHBondContact O-N 2.96Å
39	D	87.3	Confident	71.6	Confident	93 Å²	93	92.1 Å²	92.1	50%	0.497	48%	0.483	S	S	.	.			trans	-73.1	89.9	168.5	-174.5	-14	0	0	0	108.9	T37 Y41 L42 L43	T37-D39 PolarHBondContact O-N 3.11Å; D39-Y41 PolarHBondContact O-N 3.16Å; D39-Y41 PolarHBondContact OD1-N 3.29Å; D39-L42 HydrophobicContact CB-CB 4Å; D39-L42 VanDerWaalsContact CG-CB 3.47Å; D39-L42 PolarHBondContact O-N 2.8Å; D39-L42 PolarHBondContact OD1-N 2.88Å; D39-L42 WeakPolarHBondContact OD2-CB 3.29Å; D39-L43 PolarHBondContact O-N 2.82Å; D39-L43 VanDerWaalsContact O-N 3.07Å
40	Y	88	Confident	73.9	Confident	33 Å²	33	94.7 Å²	94.7	13%	0.129	49%	0.487	C	S	.	.	H	α-helix	trans	-60.6	-30.7	178.4	-81.2	-85	0	0	0	112.3	I38 L43 W44 F64 W67 Q68 I71	I38-Y40 VanDerWaalsContact C-N 3.31Å; I38-Y40 HydrophobicContact CB-CD2 4.39Å; I38-Y40 HydrophobicContact CB-CE2 4.19Å; I38-Y40 HydrophobicContact CG2-CD2 4.23Å; I38-Y40 HydrophobicContact CG2-CE2 4.27Å; I38-Y40 HydrophobicContact CG2-CG 4.41Å; I38-Y40 WeakPolarHBondContact O-CD2 3.44Å; I38-Y40 PolarHBondContact O-N 2.96Å; Y40-L43 PolarHBondContact O-N 3.2Å; Y40-W44 VanDerWaalsContact O-CB 3.3Å; Y40-W44 WeakPolarHBondContact O-CB 3.16Å; Y40-W44 PolarHBondContact O-N 2.83Å; Y40-F64 WeakPolarHBondContact O-CE2 3.36Å; Y40-W67 HydrophobicContact CD1-CH2 4.49Å; Y40-W67 AromaticContact CD1-CZ3 3.9Å; Y40-W67 HydrophobicContact CD1-CZ3 3.9Å; Y40-W67 WeakPolarHBondContact O-CZ3 3.49Å; Y40-Q68 HydrophobicContact CD1-CG 4.04Å; Y40-Q68 HydrophobicContact CG-CG 4.4Å; Y40-I71 HydrophobicContact CE1-CG2 3.98Å
41	Y	89.5	Confident	76.2	Confident	121 Å²	121	89.3 Å²	89.3	48%	0.475	46%	0.455	S	S	.	.	H	α-helix	trans	-73.6	-43	-178.7	-173.6	-108.3	0	0	0	111	D39 L43 W44 L45 F64	D39-Y41 PolarHBondContact O-N 3.16Å; D39-Y41 PolarHBondContact OD1-N 3.29Å; Y41-L43 VanDerWaalsContact C-N 3.31Å; Y41-L43 PolarHBondContact O-N 3.35Å; Y41-W44 WeakPolarHBondContact O-CB 3.4Å; Y41-W44 PolarHBondContact O-N 2.87Å; Y41-L45 HydrophobicContact CD1-CD1 4.05Å; Y41-L45 HydrophobicContact CD1-CG 4.44Å; Y41-L45 HydrophobicContact CE1-CD1 3.65Å; Y41-L45 HydrophobicContact CE1-CD2 4.47Å; Y41-L45 HydrophobicContact CE1-CG 4.13Å; Y41-L45 WeakPolarHBondContact O-CG 3.12Å; Y41-L45 PolarHBondContact O-N 3.29Å; Y41-F64 HydrophobicContact CD2-CZ 4.37Å
42	L	91.2	Very high	78.4	Confident	100 Å²	100	88.3 Å²	88.3	52%	0.524	45%	0.45	S	S	.	.	H	α-helix	trans	-61.8	-40	172.1	-179.4	61	0	0	0	112.1	D39 W44 L45 T46	D39-L42 HydrophobicContact CB-CB 4Å; D39-L42 VanDerWaalsContact CG-CB 3.47Å; D39-L42 PolarHBondContact O-N 2.8Å; D39-L42 PolarHBondContact OD1-N 2.88Å; D39-L42 WeakPolarHBondContact OD2-CB 3.29Å; L42-W44 VanDerWaalsContact C-N 3.34Å; L42-L45 PolarHBondContact O-N 3.1Å; L42-T46 WeakPolarHBondContact O-CB 3.2Å; L42-T46 PolarHBondContact O-N 3.33Å; L42-T46 PolarHBondContact O-OG1 3.48Å
43	L	92.3	Very high	79.7	Confident	66 Å²	66	84.3 Å²	84.3	35%	0.346	43%	0.427	S	S	.	.	H	α-helix	trans	-66.4	-37.6	176.6	-174.4	64.4	0	0	0	111.7	D39 Y40 Y41 T46 W47 W67	D39-L43 PolarHBondContact O-N 2.82Å; D39-L43 VanDerWaalsContact O-N 3.07Å; Y40-L43 PolarHBondContact O-N 3.2Å; Y41-L43 VanDerWaalsContact C-N 3.31Å; Y41-L43 PolarHBondContact O-N 3.35Å; L43-T46 PolarHBondContact O-N 3.43Å; L43-W47 WeakPolarHBondContact O-CB 3.47Å; L43-W47 PolarHBondContact O-N 2.8Å; L43-W67 HydrophobicContact CB-CH2 3.79Å; L43-W67 HydrophobicContact CB-CZ2 4.48Å; L43-W67 HydrophobicContact CD2-CH2 3.67Å; L43-W67 HydrophobicContact CD2-CZ2 4.16Å; L43-W67 HydrophobicContact CG-CH2 3.54Å; L43-W67 HydrophobicContact CG-CZ2 3.86Å
44	W	92.8	Very high	80.8	Confident	0 Å²	0	85.6 Å²	85.6	0%	0	42%	0.422	C	S	.	.	H	α-helix	trans	-61.1	-49.3	171.9	165.7	-107.4	0	0	0	112.5	Y40 Y41 L42 T46 W47 Q48 Y55 E60 D63 F64 W67 A97	Y40-W44 VanDerWaalsContact O-CB 3.3Å; Y40-W44 WeakPolarHBondContact O-CB 3.16Å; Y40-W44 PolarHBondContact O-N 2.83Å; Y41-W44 WeakPolarHBondContact O-CB 3.4Å; Y41-W44 PolarHBondContact O-N 2.87Å; L42-W44 VanDerWaalsContact C-N 3.34Å; W44-T46 VanDerWaalsContact C-N 3.27Å; W44-T46 PolarHBondContact O-N 3.45Å; W44-W47 AromaticContact CE3-CE3 3.74Å; W44-W47 HydrophobicContact CE3-CE3 3.74Å; W44-W47 HydrophobicContact CE3-CZ3 4.15Å; W44-W47 HydrophobicContact CH2-CE3 4.22Å; W44-W47 AromaticContact CH2-CZ3 3.82Å; W44-W47 HydrophobicContact CH2-CZ3 3.82Å; W44-W47 HydrophobicContact CZ3-CD2 4.48Å; W44-W47 AromaticContact CZ3-CE3 3.5Å; W44-W47 HydrophobicContact CZ3-CE3 3.5Å; W44-W47 HydrophobicContact CZ3-CH2 4.34Å; W44-W47 AromaticContact CZ3-CZ3 3.42Å; W44-W47 HydrophobicContact CZ3-CZ3 3.42Å; W44-W47 VanDerWaalsContact CZ3-CZ3 3.42Å; W44-W47 WeakPolarHBondContact O-CB 3.16Å; W44-W47 PolarHBondContact O-N 3.11Å; W44-W47 VanDerWaalsContact O-N 3.11Å; W44-Q48 HydrophobicContact CD2-CG 4.15Å; W44-Q48 HydrophobicContact CH2-CG 4.43Å; W44-Q48 HydrophobicContact CZ2-CG 4.01Å; W44-Q48 WeakPolarHBondContact O-CG 3.17Å; W44-Q48 PolarHBondContact O-N 2.88Å; W44-Y55 AromaticContact CH2-CD2 3.75Å; W44-Y55 HydrophobicContact CH2-CD2 3.75Å; W44-Y55 AromaticContact CH2-CE2 3.29Å; W44-Y55 HydrophobicContact CH2-CE2 3.29Å; W44-Y55 AromaticContact CZ2-CD2 3.54Å; W44-Y55 HydrophobicContact CZ2-CD2 3.54Å; W44-Y55 AromaticContact CZ2-CE2 3.58Å; W44-Y55 HydrophobicContact CZ2-CE2 3.58Å; W44-Y55 HydrophobicContact CZ3-CE2 4.31Å; W44-E60 HydrophobicContact CZ2-CG 4.38Å; W44-D63 HydrophobicContact CH2-CB 3.95Å; W44-D63 HydrophobicContact CZ2-CB 4.47Å; W44-F64 HydrophobicContact CB-CD2 3.59Å; W44-F64 HydrophobicContact CB-CE2 3.51Å; W44-F64 AromaticContact CD1-CD2 3.94Å; W44-F64 HydrophobicContact CD2-CB 4.36Å; W44-F64 AromaticContact CD2-CD2 3.7Å; W44-F64 HydrophobicContact CD2-CD2 3.7Å; W44-F64 HydrophobicContact CD2-CG 4.46Å; W44-F64 HydrophobicContact CE3-CD2 4.14Å; W44-F64 AromaticContact CG-CD2 3.45Å; W44-F64 HydrophobicContact CG-CD2 3.45Å; W44-F64 VanDerWaalsContact CG-CD2 3.45Å; W44-F64 AromaticContact CG-CE2 3.89Å; W44-F64 HydrophobicContact CG-CE2 3.89Å; W44-F64 HydrophobicContact CG-CG 4.39Å; W44-F64 HydrophobicContact CZ2-CB 4.37Å; W44-W67 HydrophobicContact CB-CE3 4.27Å; W44-W67 HydrophobicContact CB-CH2 4.27Å; W44-W67 HydrophobicContact CB-CZ3 4.04Å; W44-W67 HydrophobicContact CE3-CB 3.81Å; W44-W67 AromaticContact CE3-CD1 3.73Å; W44-W67 AromaticContact CE3-CD2 3.64Å; W44-W67 HydrophobicContact CE3-CD2 3.64Å; W44-W67 HydrophobicContact CE3-CE3 4.1Å; W44-W67 AromaticContact CE3-CG 3.46Å; W44-W67 HydrophobicContact CE3-CG 3.46Å; W44-W67 VanDerWaalsContact CE3-CG 3.46Å; W44-W67 HydrophobicContact CZ3-CB 3.53Å; W44-W67 AromaticContact CZ3-CD1 3.65Å; W44-W67 HydrophobicContact CZ3-CD2 4.21Å; W44-W67 AromaticContact CZ3-CG 3.53Å; W44-W67 HydrophobicContact CZ3-CG 3.53Å; W44-A97 HydrophobicContact CH2-CB 4.26Å; W44-A97 HydrophobicContact CZ3-CB 4.08Å
45	L	91.8	Very high	81.3	Confident	59 Å²	59	81.1 Å²	81.1	31%	0.309	39%	0.394	S	S	.	.	H	α-helix	trans	-59.8	-40.4	176.4	-67.6	178.1	0	0	0	111.6	Y41 L42 Q48 L49	Y41-L45 HydrophobicContact CD1-CD1 4.05Å; Y41-L45 HydrophobicContact CD1-CG 4.44Å; Y41-L45 HydrophobicContact CE1-CD1 3.65Å; Y41-L45 HydrophobicContact CE1-CD2 4.47Å; Y41-L45 HydrophobicContact CE1-CG 4.13Å; Y41-L45 WeakPolarHBondContact O-CG 3.12Å; Y41-L45 PolarHBondContact O-N 3.29Å; L42-L45 PolarHBondContact O-N 3.1Å; L45-Q48 PolarHBondContact O-N 2.92Å; L45-L49 VanDerWaalsContact O-CG 3.28Å; L45-L49 WeakPolarHBondContact O-CG 3.33Å; L45-L49 PolarHBondContact O-N 3Å
46	T	92.1	Very high	81.6	Confident	76 Å²	76	83.1 Å²	83.1	47%	0.466	40%	0.4	S	S	.	.	H	α-helix	trans	-63.8	-42.1	175.7	-56.1	0	0	0	0	111.5	L42 L43 W44 L49 R50	L42-T46 WeakPolarHBondContact O-CB 3.2Å; L42-T46 PolarHBondContact O-N 3.33Å; L42-T46 PolarHBondContact O-OG1 3.48Å; L43-T46 PolarHBondContact O-N 3.43Å; W44-T46 VanDerWaalsContact C-N 3.27Å; W44-T46 PolarHBondContact O-N 3.45Å; T46-L49 PolarHBondContact O-N 2.95Å; T46-R50 WeakPolarHBondContact O-CB 3.25Å; T46-R50 PolarHBondContact O-N 2.85Å
47	W	93	Very high	81.5	Confident	9 Å²	9	83.4 Å²	83.4	3%	0.034	39%	0.393	C	S	.	.	H	α-helix	trans	-62.9	-45.1	176.3	177.7	87	0	0	0	112	L43 W44 L49 R50 Y51 Q53 Y55 W67 N93 A97	L43-W47 WeakPolarHBondContact O-CB 3.47Å; L43-W47 PolarHBondContact O-N 2.8Å; W44-W47 AromaticContact CE3-CE3 3.74Å; W44-W47 HydrophobicContact CE3-CE3 3.74Å; W44-W47 HydrophobicContact CE3-CZ3 4.15Å; W44-W47 HydrophobicContact CH2-CE3 4.22Å; W44-W47 AromaticContact CH2-CZ3 3.82Å; W44-W47 HydrophobicContact CH2-CZ3 3.82Å; W44-W47 HydrophobicContact CZ3-CD2 4.48Å; W44-W47 AromaticContact CZ3-CE3 3.5Å; W44-W47 HydrophobicContact CZ3-CE3 3.5Å; W44-W47 HydrophobicContact CZ3-CH2 4.34Å; W44-W47 AromaticContact CZ3-CZ3 3.42Å; W44-W47 HydrophobicContact CZ3-CZ3 3.42Å; W44-W47 VanDerWaalsContact CZ3-CZ3 3.42Å; W44-W47 WeakPolarHBondContact O-CB 3.16Å; W44-W47 PolarHBondContact O-N 3.11Å; W44-W47 VanDerWaalsContact O-N 3.11Å; W47-L49 VanDerWaalsContact C-N 3.34Å; W47-L49 PolarHBondContact O-N 3.47Å; W47-R50 PolarHBondContact O-N 3.27Å; W47-Y51 AromaticContact CD1-CD2 3.48Å; W47-Y51 VanDerWaalsContact CD1-CD2 3.48Å; W47-Y51 AromaticContact CD1-CE2 3.49Å; W47-Y51 VanDerWaalsContact CD1-CE2 3.49Å; W47-Y51 HydrophobicContact CD2-CD2 4.18Å; W47-Y51 AromaticContact CE2-CD2 3.73Å; W47-Y51 HydrophobicContact CG-CD2 4.04Å; W47-Y51 HydrophobicContact CG-CE2 4.41Å; W47-Y51 HydrophobicContact CZ2-CD2 4.39Å; W47-Y51 AromaticContact NE1-CD2 3.28Å; W47-Y51 VanDerWaalsContact NE1-CD2 3.28Å; W47-Y51 AromaticContact NE1-CE2 3.42Å; W47-Y51 WeakPolarHBondContact O-CD2 3.32Å; W47-Y51 PolarHBondContact O-N 3.41Å; W47-Q53 HydrophobicContact CH2-CB 4.24Å; W47-Q53 HydrophobicContact CH2-CG 3.75Å; W47-Q53 HydrophobicContact CZ2-CG 4.47Å; W47-Q53 HydrophobicContact CZ3-CB 3.89Å; W47-Q53 HydrophobicContact CZ3-CG 3.91Å; W47-Y55 VanDerWaalsContact CH2-OH 3.28Å; W47-Y55 WeakPolarHBondContact CH2-OH 3.44Å; W47-Y55 AromaticContact CZ3-CE2 3.89Å; W47-Y55 HydrophobicContact CZ3-CE2 3.89Å; W47-Y55 WeakPolarHBondContact CZ3-OH 3.47Å; W47-W67 HydrophobicContact CB-CZ2 4.16Å; W47-W67 AromaticContact CD1-NE1 3.55Å; W47-W67 AromaticContact CD2-CD1 3.76Å; W47-W67 AromaticContact CD2-NE1 3.41Å; W47-W67 AromaticContact CE2-CD1 3.87Å; W47-W67 AromaticContact CE2-NE1 3.72Å; W47-W67 AromaticContact CE3-NE1 4Å; W47-W67 HydrophobicContact CG-CZ2 4.45Å; W47-W67 AromaticContact CG-NE1 3.33Å; W47-W67 VanDerWaalsContact CG-NE1 3.33Å; W47-W67 AromaticContact NE1-NE1 3.74Å; W47-N93 VanDerWaalsContact CZ2-O 3.27Å; W47-N93 WeakPolarHBondContact CZ2-O 3.29Å; W47-N93 PolarHBondContact NE1-O 3.14Å; W47-A97 HydrophobicContact CH2-CB 3.82Å; W47-A97 HydrophobicContact CZ2-CB 4.49Å; W47-A97 HydrophobicContact CZ3-CB 4.26Å
48	Q	91.8	Very high	81	Confident	17 Å²	17	86.2 Å²	86.2	8%	0.079	41%	0.41	C	S	.	.	H	α-helix	trans	-58.8	-45.4	175.3	-74.4	-166.5	-76.1	0	0	112	W44 L45 N52 Q53 Y55	W44-Q48 HydrophobicContact CD2-CG 4.15Å; W44-Q48 HydrophobicContact CH2-CG 4.43Å; W44-Q48 HydrophobicContact CZ2-CG 4.01Å; W44-Q48 WeakPolarHBondContact O-CG 3.17Å; W44-Q48 PolarHBondContact O-N 2.88Å; L45-Q48 PolarHBondContact O-N 2.92Å; Q48-N52 WeakPolarHBondContact O-CA 3.39Å; Q48-N52 PolarHBondContact O-N 3.39Å; Q48-Q53 WeakPolarHBondContact CB-O 3.29Å; Q48-Q53 HydrophobicContact CG-CB 4.5Å; Q48-Q53 WeakPolarHBondContact CG-O 3.44Å; Q48-Q53 PolarHBondContact NE2-O 2.81Å; Q48-Q53 PolarHBondContact O-N 3.35Å; Q48-Y55 HydrophobicContact CG-CE2 4.33Å
49	L	91.2	Very high	81.2	Confident	123 Å²	123	85 Å²	85	64%	0.644	41%	0.405	S	S	*	.	H	α-helix	trans	-62.1	-41.7	176.6	-72.3	172.3	0	0	0	112.1	L45 T46 W47	L45-L49 VanDerWaalsContact O-CG 3.28Å; L45-L49 WeakPolarHBondContact O-CG 3.33Å; L45-L49 PolarHBondContact O-N 3Å; T46-L49 PolarHBondContact O-N 2.95Å; W47-L49 VanDerWaalsContact C-N 3.34Å; W47-L49 PolarHBondContact O-N 3.47Å
50	R	91.5	Very high	81	Confident	134 Å²	134	82.7 Å²	82.7	51%	0.506	39%	0.391	S	S	.	.	H	α-helix	trans	-65.9	-40.8	-179.3	174.4	58.3	-176.6	105.4	-4.6	113.1	T46 W47 E317	T46-R50 WeakPolarHBondContact O-CB 3.25Å; T46-R50 PolarHBondContact O-N 2.85Å; W47-R50 PolarHBondContact O-N 3.27Å; R50-E317 IonicContact CZ-OE1 3.47Å; R50-E317 IonicContact CZ-OE2 2.77Å; R50-E317 IonicContact NH1-OE1 3.27Å; R50-E317 PolarHBondContact NH1-OE1 2.93Å; R50-E317 IonicContact NH2-OE1 3.3Å; R50-E317 PolarHBondContact NH2-OE1 2.91Å; R50-E317 IonicContact NH2-OE2 3.63Å; R50-E317 PolarHBondContact NH2-OE2 3.42Å
51	Y	88.6	Confident	81.1	Confident	42 Å²	42	87.8 Å²	87.8	17%	0.165	42%	0.42	C	S	.	.	H	α-helix	trans	-104.5	11.2	-173.6	-64.8	-64.5	0	0	0	114	W47 Q53 I92 N93 Q94 E317	W47-Y51 AromaticContact CD1-CD2 3.48Å; W47-Y51 VanDerWaalsContact CD1-CD2 3.48Å; W47-Y51 AromaticContact CD1-CE2 3.49Å; W47-Y51 VanDerWaalsContact CD1-CE2 3.49Å; W47-Y51 HydrophobicContact CD2-CD2 4.18Å; W47-Y51 AromaticContact CE2-CD2 3.73Å; W47-Y51 HydrophobicContact CG-CD2 4.04Å; W47-Y51 HydrophobicContact CG-CE2 4.41Å; W47-Y51 HydrophobicContact CZ2-CD2 4.39Å; W47-Y51 AromaticContact NE1-CD2 3.28Å; W47-Y51 VanDerWaalsContact NE1-CD2 3.28Å; W47-Y51 AromaticContact NE1-CE2 3.42Å; W47-Y51 WeakPolarHBondContact O-CD2 3.32Å; W47-Y51 PolarHBondContact O-N 3.41Å; Y51-Q53 PolarHBondContact O-N 2.99Å; Y51-I92 PolarHBondContact OH-O 3.32Å; Y51-N93 WeakPolarHBondContact OH-CA 3.47Å; Y51-Q94 HydrophobicContact CD1-CB 3.82Å; Y51-Q94 HydrophobicContact CG-CB 3.94Å; Y51-E317 HydrophobicContact CE1-CB 4.21Å
52	N	82.9	Confident	81.1	Confident	115 Å²	115	85.8 Å²	85.8	62%	0.615	41%	0.413	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.2	36.6	179.1	-164	52.8	0	0	0	113	Q48 Y54	Q48-N52 WeakPolarHBondContact O-CA 3.39Å; Q48-N52 PolarHBondContact O-N 3.39Å; N52-Y54 WeakPolarHBondContact OD1-CE2 3.44Å
53	Q	70.9	Confident	81.1	Confident	58 Å²	58	82.3 Å²	82.3	27%	0.271	40%	0.395	S	S	.	.			trans	-93.8	101.1	-178.5	-65.2	-67.5	-32.2	0	0	109.2	W47 Q48 Y51 Y55	W47-Q53 HydrophobicContact CH2-CB 4.24Å; W47-Q53 HydrophobicContact CH2-CG 3.75Å; W47-Q53 HydrophobicContact CZ2-CG 4.47Å; W47-Q53 HydrophobicContact CZ3-CB 3.89Å; W47-Q53 HydrophobicContact CZ3-CG 3.91Å; Q48-Q53 WeakPolarHBondContact CB-O 3.29Å; Q48-Q53 HydrophobicContact CG-CB 4.5Å; Q48-Q53 WeakPolarHBondContact CG-O 3.44Å; Q48-Q53 PolarHBondContact NE2-O 2.81Å; Q48-Q53 PolarHBondContact O-N 3.35Å; Y51-Q53 PolarHBondContact O-N 2.99Å; Q53-Y55 HydrophobicContact CB-CE2 3.77Å; Q53-Y55 PolarHBondContact OE1-OH 2.83Å
54	Y	64	Low	81.1	Confident	168 Å²	168	80.7 Å²	80.7	66%	0.659	39%	0.386	S	S	*	.			trans	-107.5	101.4	174.3	-61.5	-71.6	0	0	0	109.9	N52	N52-Y54 WeakPolarHBondContact OD1-CE2 3.44Å
55	Y	57.2	Low	81.2	Confident	59 Å²	59	86.3 Å²	86.3	23%	0.231	41%	0.408	C	S	.	.			trans	-82.6	152.3	179.1	-58.8	-76.7	0	0	0	112.1	W44 W47 Q48 Q53 D63	W44-Y55 AromaticContact CH2-CD2 3.75Å; W44-Y55 HydrophobicContact CH2-CD2 3.75Å; W44-Y55 AromaticContact CH2-CE2 3.29Å; W44-Y55 HydrophobicContact CH2-CE2 3.29Å; W44-Y55 AromaticContact CZ2-CD2 3.54Å; W44-Y55 HydrophobicContact CZ2-CD2 3.54Å; W44-Y55 AromaticContact CZ2-CE2 3.58Å; W44-Y55 HydrophobicContact CZ2-CE2 3.58Å; W44-Y55 HydrophobicContact CZ3-CE2 4.31Å; W47-Y55 VanDerWaalsContact CH2-OH 3.28Å; W47-Y55 WeakPolarHBondContact CH2-OH 3.44Å; W47-Y55 AromaticContact CZ3-CE2 3.89Å; W47-Y55 HydrophobicContact CZ3-CE2 3.89Å; W47-Y55 WeakPolarHBondContact CZ3-OH 3.47Å; Q48-Y55 HydrophobicContact CG-CE2 4.33Å; Q53-Y55 HydrophobicContact CB-CE2 3.77Å; Q53-Y55 PolarHBondContact OE1-OH 2.83Å; Y55-D63 HydrophobicContact CD1-CB 4.5Å; Y55-D63 WeakPolarHBondContact CD1-OD2 3.45Å; Y55-D63 HydrophobicContact CE1-CB 4.42Å; Y55-D63 VanDerWaalsContact CE1-OD2 3.29Å; Y55-D63 WeakPolarHBondContact CE1-OD2 3.44Å
56	Q	56.7	Low	81.3	Confident	143 Å²	143	86.3 Å²	86.3	67%	0.668	40%	0.404	S	S	*	.			trans	-68.9	145.1	162.6	-62.2	-170.8	12.1	0	0	109.3	T58 D59 E60	Q56-T58 PolarHBondContact O-N 2.97Å; Q56-D59 PolarHBondContact O-N 3.47Å; Q56-E60 PolarHBondContact O-N 3.24Å
57	K	55.9	Low	81.5	Confident	180 Å²	180	82.7 Å²	82.7	78%	0.783	38%	0.382	S	S	*	.	H	α-helix	trans	-52.2	-33.9	-174.5	-78.1	-175.8	169.8	-178.9	0	114.8
58	T	59.7	Low	81.6	Confident	114 Å²	114	84.7 Å²	84.7	70%	0.699	39%	0.392	S	S	*	.	H	α-helix	trans	-71.7	-33.1	-179.8	44.9	0	0	0	0	112.7	Q56	Q56-T58 PolarHBondContact O-N 2.97Å
59	D	76.6	Confident	81.8	Confident	74 Å²	74	86 Å²	86	40%	0.396	40%	0.399	S	S	.	.	H	α-helix	trans	-84.2	-27.5	179.2	-59.2	-36.6	0	0	0	110.9	Q56 L61 K62 D63	Q56-D59 PolarHBondContact O-N 3.47Å; D59-L61 PolarHBondContact O-N 3.33Å; D59-K62 PolarHBondContact O-N 3.29Å; D59-K62 VanDerWaalsContact O-N 3.09Å; D59-D63 WeakPolarHBondContact O-CB 3.39Å; D59-D63 VanDerWaalsContact O-CG 3.31Å; D59-D63 PolarHBondContact O-N 3.22Å
60	E	84	Confident	82	Confident	45 Å²	45	80.3 Å²	80.3	21%	0.21	37%	0.369	C	S	.	.	H	α-helix	trans	-55.1	-45.2	-176.1	-172	178.2	-170.8	0	0	114.2	W44 Q56 K62 D63 F64	W44-E60 HydrophobicContact CZ2-CG 4.38Å; Q56-E60 PolarHBondContact O-N 3.24Å; E60-K62 VanDerWaalsContact C-N 3.33Å; E60-K62 PolarHBondContact O-N 3.21Å; E60-D63 PolarHBondContact O-N 3.12Å; E60-F64 WeakPolarHBondContact O-CB 3.44Å; E60-F64 PolarHBondContact O-N 2.89Å
61	L	88.5	Confident	82.2	Confident	140 Å²	140	74.2 Å²	74.2	73%	0.733	35%	0.346	S	S	*	.	H	α-helix	trans	-64.7	-38.7	179.7	-75.1	175.5	0	0	0	112.4	D59 Y65	D59-L61 PolarHBondContact O-N 3.33Å; L61-Y65 WeakPolarHBondContact O-CB 3.43Å; L61-Y65 PolarHBondContact O-N 3Å; L61-Y65 VanDerWaalsContact O-N 3.12Å
62	K	90.7	Very high	82.6	Confident	79 Å²	79	75.3 Å²	75.3	34%	0.343	35%	0.353	S	S	.	.	H	α-helix	trans	-71.3	-45.1	179.6	177.9	-172.8	162.2	-161.9	0	110.2	D59 E60 Y65 Y66 E102	D59-K62 PolarHBondContact O-N 3.29Å; D59-K62 VanDerWaalsContact O-N 3.09Å; E60-K62 VanDerWaalsContact C-N 3.33Å; E60-K62 PolarHBondContact O-N 3.21Å; K62-Y65 WeakPolarHBondContact O-CB 3.36Å; K62-Y65 PolarHBondContact O-N 2.97Å; K62-Y66 HydrophobicContact CD-CE2 4.48Å; K62-Y66 HydrophobicContact CG-CD2 3.99Å; K62-Y66 HydrophobicContact CG-CE2 3.78Å; K62-Y66 WeakPolarHBondContact O-CD2 3.49Å; K62-Y66 PolarHBondContact O-N 2.84Å; K62-E102 WeakPolarHBondContact CE-OE1 3.24Å; K62-E102 WeakPolarHBondContact CE-OE2 3.4Å; K62-E102 IonicContact NZ-OE1 2.78Å; K62-E102 PolarHBondContact NZ-OE1 2.04Å; K62-E102 IonicContact NZ-OE2 2.67Å; K62-E102 PolarHBondContact NZ-OE2 2.93Å
63	D	91	Very high	83.2	Confident	27 Å²	27	74.4 Å²	74.4	14%	0.144	34%	0.344	C	S	.	.	H	α-helix	trans	-67.9	-38.9	-179.9	-66	-20.6	0	0	0	111.1	W44 Y55 D59 E60 Y65 Y66 W67 A97	W44-D63 HydrophobicContact CH2-CB 3.95Å; W44-D63 HydrophobicContact CZ2-CB 4.47Å; Y55-D63 HydrophobicContact CD1-CB 4.5Å; Y55-D63 WeakPolarHBondContact CD1-OD2 3.45Å; Y55-D63 HydrophobicContact CE1-CB 4.42Å; Y55-D63 VanDerWaalsContact CE1-OD2 3.29Å; Y55-D63 WeakPolarHBondContact CE1-OD2 3.44Å; D59-D63 WeakPolarHBondContact O-CB 3.39Å; D59-D63 VanDerWaalsContact O-CG 3.31Å; D59-D63 PolarHBondContact O-N 3.22Å; E60-D63 PolarHBondContact O-N 3.12Å; D63-Y65 VanDerWaalsContact C-N 3.34Å; D63-Y65 PolarHBondContact O-N 2.92Å; D63-Y66 PolarHBondContact O-N 3.41Å; D63-W67 WeakPolarHBondContact O-CB 3.37Å; D63-W67 PolarHBondContact O-N 2.73Å; D63-A97 HydrophobicContact CB-CB 4.37Å
64	F	93.2	Very high	84.5	Confident	33 Å²	33	71.9 Å²	71.9	15%	0.145	33%	0.332	C	S	.	.	H	α-helix	trans	-60	-43	171.8	179.4	-125.5	0	0	0	111.8	Y40 Y41 W44 E60 W67 Q68	Y40-F64 WeakPolarHBondContact O-CE2 3.36Å; Y41-F64 HydrophobicContact CD2-CZ 4.37Å; W44-F64 HydrophobicContact CB-CD2 3.59Å; W44-F64 HydrophobicContact CB-CE2 3.51Å; W44-F64 AromaticContact CD1-CD2 3.94Å; W44-F64 HydrophobicContact CD2-CB 4.36Å; W44-F64 AromaticContact CD2-CD2 3.7Å; W44-F64 HydrophobicContact CD2-CD2 3.7Å; W44-F64 HydrophobicContact CD2-CG 4.46Å; W44-F64 HydrophobicContact CE3-CD2 4.14Å; W44-F64 AromaticContact CG-CD2 3.45Å; W44-F64 HydrophobicContact CG-CD2 3.45Å; W44-F64 VanDerWaalsContact CG-CD2 3.45Å; W44-F64 AromaticContact CG-CE2 3.89Å; W44-F64 HydrophobicContact CG-CE2 3.89Å; W44-F64 HydrophobicContact CG-CG 4.39Å; W44-F64 HydrophobicContact CZ2-CB 4.37Å; E60-F64 WeakPolarHBondContact O-CB 3.44Å; E60-F64 PolarHBondContact O-N 2.89Å; F64-W67 HydrophobicContact CD2-CE3 4.08Å; F64-W67 HydrophobicContact CE2-CE3 4.06Å; F64-W67 HydrophobicContact CE2-CZ3 4.06Å; F64-W67 PolarHBondContact O-N 2.88Å; F64-Q68 HydrophobicContact CD2-CG 4.19Å; F64-Q68 HydrophobicContact CE1-CG 4.4Å; F64-Q68 HydrophobicContact CE2-CG 3.82Å; F64-Q68 HydrophobicContact CZ-CG 3.95Å; F64-Q68 WeakPolarHBondContact O-CG 3.3Å; F64-Q68 PolarHBondContact O-N 3.33Å
65	Y	93.5	Very high	86.1	Confident	118 Å²	118	68.4 Å²	68.4	46%	0.463	32%	0.324	S	S	.	.	H	α-helix	trans	-59.9	-49.4	175.6	171.9	-99.1	0	0	0	112.4	L61 K62 D63 W67 Q68 L69	L61-Y65 WeakPolarHBondContact O-CB 3.43Å; L61-Y65 PolarHBondContact O-N 3Å; L61-Y65 VanDerWaalsContact O-N 3.12Å; K62-Y65 WeakPolarHBondContact O-CB 3.36Å; K62-Y65 PolarHBondContact O-N 2.97Å; D63-Y65 VanDerWaalsContact C-N 3.34Å; D63-Y65 PolarHBondContact O-N 2.92Å; Y65-W67 VanDerWaalsContact C-N 3.33Å; Y65-W67 PolarHBondContact O-N 2.94Å; Y65-Q68 PolarHBondContact O-N 2.81Å; Y65-L69 HydrophobicContact CD1-CD1 4.08Å; Y65-L69 HydrophobicContact CE1-CD1 3.4Å; Y65-L69 VanDerWaalsContact CE1-CD1 3.4Å; Y65-L69 HydrophobicContact CE1-CG 4.2Å; Y65-L69 HydrophobicContact CE2-CD1 4.33Å; Y65-L69 HydrophobicContact CE2-CG 4.39Å; Y65-L69 WeakPolarHBondContact O-CG 3.48Å; Y65-L69 PolarHBondContact O-N 2.82Å
66	Y	94.7	Very high	88	Confident	58 Å²	58	69.8 Å²	69.8	23%	0.227	34%	0.335	C	S	.	.	H	α-helix	trans	-66.5	-36.9	177.9	-77	-67.9	0	0	0	112.5	K62 D63 L69 N70 A97 N99	K62-Y66 HydrophobicContact CD-CE2 4.48Å; K62-Y66 HydrophobicContact CG-CD2 3.99Å; K62-Y66 HydrophobicContact CG-CE2 3.78Å; K62-Y66 WeakPolarHBondContact O-CD2 3.49Å; K62-Y66 PolarHBondContact O-N 2.84Å; D63-Y66 PolarHBondContact O-N 3.41Å; Y66-L69 HydrophobicContact CD1-CD1 4.33Å; Y66-L69 PolarHBondContact O-N 3.31Å; Y66-N70 WeakPolarHBondContact O-CB 3.16Å; Y66-N70 VanDerWaalsContact O-CG 3.26Å; Y66-N70 PolarHBondContact O-N 2.94Å; Y66-N70 PolarHBondContact O-ND2 3.14Å; Y66-A97 WeakPolarHBondContact CB-O 3.37Å; Y66-N99 HydrophobicContact CD1-CB 3.94Å; Y66-N99 HydrophobicContact CD2-CB 3.76Å; Y66-N99 HydrophobicContact CE1-CB 3.89Å; Y66-N99 HydrophobicContact CE2-CB 3.72Å; Y66-N99 WeakPolarHBondContact CE2-ND2 3.27Å; Y66-N99 HydrophobicContact CG-CB 3.89Å; Y66-N99 PolarHBondContact OH-ND2 2.79Å
67	W	95	Very high	90	Very high	1 Å²	1	63.6 Å²	63.6	0%	0.004	31%	0.306	C	S	.	.	H	α-helix	trans	-59	-48.9	173	-179.2	95.4	0	0	0	110.8	Y40 L43 W44 W47 D63 F64 Y65 L69 N70 I71 T96 A97	Y40-W67 HydrophobicContact CD1-CH2 4.49Å; Y40-W67 AromaticContact CD1-CZ3 3.9Å; Y40-W67 HydrophobicContact CD1-CZ3 3.9Å; Y40-W67 WeakPolarHBondContact O-CZ3 3.49Å; L43-W67 HydrophobicContact CB-CH2 3.79Å; L43-W67 HydrophobicContact CB-CZ2 4.48Å; L43-W67 HydrophobicContact CD2-CH2 3.67Å; L43-W67 HydrophobicContact CD2-CZ2 4.16Å; L43-W67 HydrophobicContact CG-CH2 3.54Å; L43-W67 HydrophobicContact CG-CZ2 3.86Å; W44-W67 HydrophobicContact CB-CE3 4.27Å; W44-W67 HydrophobicContact CB-CH2 4.27Å; W44-W67 HydrophobicContact CB-CZ3 4.04Å; W44-W67 HydrophobicContact CE3-CB 3.81Å; W44-W67 AromaticContact CE3-CD1 3.73Å; W44-W67 AromaticContact CE3-CD2 3.64Å; W44-W67 HydrophobicContact CE3-CD2 3.64Å; W44-W67 HydrophobicContact CE3-CE3 4.1Å; W44-W67 AromaticContact CE3-CG 3.46Å; W44-W67 HydrophobicContact CE3-CG 3.46Å; W44-W67 VanDerWaalsContact CE3-CG 3.46Å; W44-W67 HydrophobicContact CZ3-CB 3.53Å; W44-W67 AromaticContact CZ3-CD1 3.65Å; W44-W67 HydrophobicContact CZ3-CD2 4.21Å; W44-W67 AromaticContact CZ3-CG 3.53Å; W44-W67 HydrophobicContact CZ3-CG 3.53Å; W47-W67 HydrophobicContact CB-CZ2 4.16Å; W47-W67 AromaticContact CD1-NE1 3.55Å; W47-W67 AromaticContact CD2-CD1 3.76Å; W47-W67 AromaticContact CD2-NE1 3.41Å; W47-W67 AromaticContact CE2-CD1 3.87Å; W47-W67 AromaticContact CE2-NE1 3.72Å; W47-W67 AromaticContact CE3-NE1 4Å; W47-W67 HydrophobicContact CG-CZ2 4.45Å; W47-W67 AromaticContact CG-NE1 3.33Å; W47-W67 VanDerWaalsContact CG-NE1 3.33Å; W47-W67 AromaticContact NE1-NE1 3.74Å; D63-W67 WeakPolarHBondContact O-CB 3.37Å; D63-W67 PolarHBondContact O-N 2.73Å; F64-W67 HydrophobicContact CD2-CE3 4.08Å; F64-W67 HydrophobicContact CE2-CE3 4.06Å; F64-W67 HydrophobicContact CE2-CZ3 4.06Å; F64-W67 PolarHBondContact O-N 2.88Å; Y65-W67 VanDerWaalsContact C-N 3.33Å; Y65-W67 PolarHBondContact O-N 2.94Å; W67-L69 PolarHBondContact O-N 3.07Å; W67-N70 PolarHBondContact O-N 2.99Å; W67-I71 HydrophobicContact CD2-CG1 3.85Å; W67-I71 HydrophobicContact CE3-CG1 4.05Å; W67-I71 HydrophobicContact CH2-CD1 4.41Å; W67-I71 HydrophobicContact CH2-CG1 3.94Å; W67-I71 HydrophobicContact CZ2-CD1 3.84Å; W67-I71 HydrophobicContact CZ2-CG1 3.74Å; W67-I71 HydrophobicContact CZ3-CG1 4.11Å; W67-I71 VanDerWaalsContact O-CG1 3.28Å; W67-I71 WeakPolarHBondContact O-CG1 3.4Å; W67-I71 PolarHBondContact O-N 2.85Å; W67-T96 HydrophobicContact CG-CG2 4.27Å; W67-A97 HydrophobicContact CB-CB 4.07Å
68	Q	95.6	Very high	92	Very high	51 Å²	51	56.1 Å²	56.1	24%	0.238	28%	0.275	C	S	.	.	H	α-helix	trans	-58.2	-45.7	176.3	-72.2	178.8	-55.8	0	0	112.3	Y40 F64 Y65 N70 I71 Q72	Y40-Q68 HydrophobicContact CD1-CG 4.04Å; Y40-Q68 HydrophobicContact CG-CG 4.4Å; F64-Q68 HydrophobicContact CD2-CG 4.19Å; F64-Q68 HydrophobicContact CE1-CG 4.4Å; F64-Q68 HydrophobicContact CE2-CG 3.82Å; F64-Q68 HydrophobicContact CZ-CG 3.95Å; F64-Q68 WeakPolarHBondContact O-CG 3.3Å; F64-Q68 PolarHBondContact O-N 3.33Å; Y65-Q68 PolarHBondContact O-N 2.81Å; Q68-N70 VanDerWaalsContact C-N 3.33Å; Q68-N70 PolarHBondContact O-N 2.92Å; Q68-I71 PolarHBondContact O-N 3.16Å; Q68-Q72 WeakPolarHBondContact O-CG 3.19Å; Q68-Q72 PolarHBondContact O-N 2.91Å
69	L	95.5	Very high	93.9	Very high	43 Å²	43	55.1 Å²	55.1	23%	0.225	27%	0.265	C	S	.	.	H	α-helix	trans	-59.9	-43.8	176.7	-72.3	-177.5	0	0	0	112	Y65 Y66 W67 Q72 K73	Y65-L69 HydrophobicContact CD1-CD1 4.08Å; Y65-L69 HydrophobicContact CE1-CD1 3.4Å; Y65-L69 VanDerWaalsContact CE1-CD1 3.4Å; Y65-L69 HydrophobicContact CE1-CG 4.2Å; Y65-L69 HydrophobicContact CE2-CD1 4.33Å; Y65-L69 HydrophobicContact CE2-CG 4.39Å; Y65-L69 WeakPolarHBondContact O-CG 3.48Å; Y65-L69 PolarHBondContact O-N 2.82Å; Y66-L69 HydrophobicContact CD1-CD1 4.33Å; Y66-L69 PolarHBondContact O-N 3.31Å; W67-L69 PolarHBondContact O-N 3.07Å; L69-Q72 PolarHBondContact O-N 2.87Å; L69-K73 WeakPolarHBondContact O-CG 3.18Å; L69-K73 PolarHBondContact O-N 2.89Å; L69-K73 VanDerWaalsContact O-N 3.08Å
70	N	96.5	Very high	94.9	Very high	5 Å²	5	56.2 Å²	56.2	3%	0.027	26%	0.264	C	S	.	.	H	α-helix	trans	-70.9	-35.4	-179.3	-70.8	-24.3	0	0	0	111.3	Y66 W67 Q68 Q72 K73 I74 T96 I98 Q270	Y66-N70 WeakPolarHBondContact O-CB 3.16Å; Y66-N70 VanDerWaalsContact O-CG 3.26Å; Y66-N70 PolarHBondContact O-N 2.94Å; Y66-N70 PolarHBondContact O-ND2 3.14Å; W67-N70 PolarHBondContact O-N 2.99Å; Q68-N70 VanDerWaalsContact C-N 3.33Å; Q68-N70 PolarHBondContact O-N 2.92Å; N70-Q72 PolarHBondContact O-N 3.11Å; N70-K73 PolarHBondContact O-N 3.34Å; N70-I74 WeakPolarHBondContact O-CB 3.32Å; N70-I74 WeakPolarHBondContact O-CD1 3.45Å; N70-I74 WeakPolarHBondContact O-CG1 3.38Å; N70-I74 PolarHBondContact O-N 2.81Å; N70-T96 HydrophobicContact CB-CG2 4.16Å; N70-T96 VanDerWaalsContact CB-O 3.24Å; N70-T96 WeakPolarHBondContact CB-O 3.35Å; N70-T96 PolarHBondContact ND2-O 3.36Å; N70-I98 PolarHBondContact ND2-O 2.84Å; N70-Q270 PolarHBondContact OD1-NE2 2.68Å
71	I	96.1	Very high	95.6	Very high	5 Å²	5	57.3 Å²	57.3	3%	0.026	27%	0.267	C	S	.	.	H	α-helix	trans	-57.7	-47.8	169.9	-68	-62.2	0	0	0	111.1	Y40 W67 Q68 K73 I74 L75 I92 T96	Y40-I71 HydrophobicContact CE1-CG2 3.98Å; W67-I71 HydrophobicContact CD2-CG1 3.85Å; W67-I71 HydrophobicContact CE3-CG1 4.05Å; W67-I71 HydrophobicContact CH2-CD1 4.41Å; W67-I71 HydrophobicContact CH2-CG1 3.94Å; W67-I71 HydrophobicContact CZ2-CD1 3.84Å; W67-I71 HydrophobicContact CZ2-CG1 3.74Å; W67-I71 HydrophobicContact CZ3-CG1 4.11Å; W67-I71 VanDerWaalsContact O-CG1 3.28Å; W67-I71 WeakPolarHBondContact O-CG1 3.4Å; W67-I71 PolarHBondContact O-N 2.85Å; Q68-I71 PolarHBondContact O-N 3.16Å; I71-K73 VanDerWaalsContact C-N 3.32Å; I71-K73 PolarHBondContact O-N 3.28Å; I71-I74 PolarHBondContact O-N 3.3Å; I71-I74 VanDerWaalsContact O-N 3.16Å; I71-L75 HydrophobicContact CG2-CD1 3.94Å; I71-L75 HydrophobicContact CG2-CG 4.29Å; I71-L75 WeakPolarHBondContact O-CG 3.2Å; I71-L75 PolarHBondContact O-N 2.85Å; I71-I92 HydrophobicContact CD1-CB 4.4Å; I71-I92 HydrophobicContact CD1-CD1 3.41Å; I71-I92 VanDerWaalsContact CD1-CD1 3.41Å; I71-I92 HydrophobicContact CD1-CG1 3.53Å; I71-I92 HydrophobicContact CD1-CG2 4.02Å; I71-T96 HydrophobicContact CD1-CG2 3.9Å; I71-T96 HydrophobicContact CG1-CG2 4.28Å
72	Q	95.7	Very high	96.1	Very high	66 Å²	66	55.5 Å²	55.5	31%	0.308	26%	0.258	S	S	.	.	H	α-helix	trans	-60.1	-42.6	177.9	-68.7	176	11.7	0	0	111.9	Q68 L69 N70 L75 L76	Q68-Q72 WeakPolarHBondContact O-CG 3.19Å; Q68-Q72 PolarHBondContact O-N 2.91Å; L69-Q72 PolarHBondContact O-N 2.87Å; N70-Q72 PolarHBondContact O-N 3.11Å; Q72-L75 PolarHBondContact O-N 3.29Å; Q72-L76 WeakPolarHBondContact O-CB 3.48Å; Q72-L76 PolarHBondContact O-N 3.35Å
73	K	96.7	Very high	96.4	Very high	95 Å²	95	57.1 Å²	57.1	41%	0.413	27%	0.27	S	S	.	.	H	α-helix	trans	-61.5	-42.4	174.4	-70.6	173.7	178.4	176.5	0	112.2	L69 N70 I71 H77 Q270	L69-K73 WeakPolarHBondContact O-CG 3.18Å; L69-K73 PolarHBondContact O-N 2.89Å; L69-K73 VanDerWaalsContact O-N 3.08Å; N70-K73 PolarHBondContact O-N 3.34Å; I71-K73 VanDerWaalsContact C-N 3.32Å; I71-K73 PolarHBondContact O-N 3.28Å; K73-H77 WeakPolarHBondContact O-CB 3.37Å; K73-H77 PolarHBondContact O-N 2.72Å; K73-Q270 VanDerWaalsContact NZ-OE1 3.12Å
74	I	97.8	Very high	96.7	Very high	6 Å²	6	59.2 Å²	59.2	3%	0.031	30%	0.297	C	S	.	.	H	α-helix	trans	-62.6	-47.8	177.6	-70.4	164	0	0	0	110.4	N70 I71 H77 N78 K90 I92 T96 T274	N70-I74 WeakPolarHBondContact O-CB 3.32Å; N70-I74 WeakPolarHBondContact O-CD1 3.45Å; N70-I74 WeakPolarHBondContact O-CG1 3.38Å; N70-I74 PolarHBondContact O-N 2.81Å; I71-I74 PolarHBondContact O-N 3.3Å; I71-I74 VanDerWaalsContact O-N 3.16Å; I74-H77 PolarHBondContact O-N 2.76Å; I74-N78 WeakPolarHBondContact O-CB 3.39Å; I74-N78 VanDerWaalsContact O-CG 3.27Å; I74-N78 PolarHBondContact O-N 2.59Å; I74-K90 HydrophobicContact CB-CB 4.28Å; I74-K90 HydrophobicContact CG1-CB 3.94Å; I74-K90 HydrophobicContact CG1-CD 4.29Å; I74-K90 HydrophobicContact CG2-CB 3.98Å; I74-I92 HydrophobicContact CD1-CG1 4.25Å; I74-T96 HydrophobicContact CD1-CG2 4.09Å; I74-T274 HydrophobicContact CD1-CG2 4.11Å; I74-T274 HydrophobicContact CG1-CG2 4.3Å
75	L	97.3	Very high	96.9	Very high	94 Å²	94	62.7 Å²	62.7	49%	0.492	32%	0.316	S	S	.	.	H	α-helix	trans	-62	-47.3	-179.7	-69.4	174.5	0	0	0	111.9	I71 Q72 N78 L79	I71-L75 HydrophobicContact CG2-CD1 3.94Å; I71-L75 HydrophobicContact CG2-CG 4.29Å; I71-L75 WeakPolarHBondContact O-CG 3.2Å; I71-L75 PolarHBondContact O-N 2.85Å; Q72-L75 PolarHBondContact O-N 3.29Å; L75-N78 PolarHBondContact O-N 3.12Å; L75-L79 PolarHBondContact O-N 3.29Å
76	L	97.8	Very high	97.1	Very high	89 Å²	89	59.8 Å²	59.8	47%	0.466	31%	0.306	S	S	.	.	H	α-helix	trans	-64.3	-42.7	178	179.3	60.1	0	0	0	112	Q72 N78 L79 Y80	Q72-L76 WeakPolarHBondContact O-CB 3.48Å; Q72-L76 PolarHBondContact O-N 3.35Å; L76-N78 PolarHBondContact O-N 3.01Å; L76-L79 WeakPolarHBondContact O-CB 3.48Å; L76-L79 PolarHBondContact O-N 2.89Å; L76-Y80 HydrophobicContact CD1-CD2 4.42Å; L76-Y80 HydrophobicContact CD1-CE2 3.8Å; L76-Y80 HydrophobicContact CD2-CE2 4.18Å; L76-Y80 HydrophobicContact CG-CD2 4.22Å; L76-Y80 HydrophobicContact CG-CE2 3.68Å; L76-Y80 WeakPolarHBondContact O-CD2 3.38Å; L76-Y80 PolarHBondContact O-N 3.13Å; L76-Y80 VanDerWaalsContact O-N 3.08Å
77	H	98.2	Very high	97.3	Very high	13 Å²	13	59 Å²	59	6%	0.06	31%	0.307	C	S	.	.	H	α-helix	trans	-60.2	-45.8	175.7	-179.9	92.6	0	0	0	111.8	K73 I74 L79 Y80 Y81 Y88 K90	K73-H77 WeakPolarHBondContact O-CB 3.37Å; K73-H77 PolarHBondContact O-N 2.72Å; I74-H77 PolarHBondContact O-N 2.76Å; H77-L79 VanDerWaalsContact C-N 3.29Å; H77-L79 PolarHBondContact O-N 3.45Å; H77-Y80 WeakPolarHBondContact O-CB 3.35Å; H77-Y80 PolarHBondContact O-N 2.82Å; H77-Y80 VanDerWaalsContact O-N 3.08Å; H77-Y81 PolarHBondContact O-N 3.32Å; H77-Y88 AromaticContact CE1-CE1 3.53Å; H77-Y88 AromaticContact CE1-CE2 3.47Å; H77-Y88 VanDerWaalsContact CE1-CE2 3.47Å; H77-Y88 WeakPolarHBondContact CE1-CE2 3.34Å; H77-Y88 AromaticContact CE1-CZ 3.17Å; H77-Y88 PolarHBondContact CE1-OH 3.27Å; H77-Y88 AromaticContact NE2-CD2 3.64Å; H77-Y88 AromaticContact NE2-CE1 3.96Å; H77-Y88 AromaticContact NE2-CE2 3.42Å; H77-Y88 WeakPolarHBondContact NE2-CE2 3.42Å; H77-Y88 AromaticContact NE2-CG 3.99Å; H77-Y88 AromaticContact NE2-CZ 3.61Å; H77-Y88 PolarHBondContact NE2-O 3.31Å; H77-K90 HydrophobicContact CB-CD 3.83Å; H77-K90 HydrophobicContact CB-CG 4.41Å
78	N	98.5	Very high	97.4	Very high	23 Å²	23	59.1 Å²	59.1	12%	0.123	31%	0.308	C	S	.	.	H	α-helix	trans	-66.9	-31.2	179.7	-74.3	-13.1	0	0	0	112.1	I74 L75 L76 Y81 D82 R89 K90	I74-N78 WeakPolarHBondContact O-CB 3.39Å; I74-N78 VanDerWaalsContact O-CG 3.27Å; I74-N78 PolarHBondContact O-N 2.59Å; L75-N78 PolarHBondContact O-N 3.12Å; L76-N78 PolarHBondContact O-N 3.01Å; N78-Y81 WeakPolarHBondContact O-CB 3.32Å; N78-Y81 PolarHBondContact O-N 3.17Å; N78-D82 PolarHBondContact O-N 3.25Å; N78-R89 WeakPolarHBondContact OD1-CA 3.42Å; N78-K90 PolarHBondContact ND2-O 2.85Å; N78-K90 PolarHBondContact OD1-N 2.93Å; N78-K90 PolarHBondContact OD1-O 2.85Å
79	L	98.5	Very high	97.6	Very high	92 Å²	92	60.3 Å²	60.3	48%	0.482	31%	0.31	S	S	.	.	H	α-helix	trans	-63.1	-43.1	168.4	178.1	62.9	0	0	0	111.8	L75 L76 H77 Y81 D82 L83	L75-L79 PolarHBondContact O-N 3.29Å; L76-L79 WeakPolarHBondContact O-CB 3.48Å; L76-L79 PolarHBondContact O-N 2.89Å; H77-L79 VanDerWaalsContact C-N 3.29Å; H77-L79 PolarHBondContact O-N 3.45Å; L79-Y81 VanDerWaalsContact C-N 3.3Å; L79-Y81 PolarHBondContact O-N 2.78Å; L79-D82 PolarHBondContact O-N 3.5Å; L79-L83 HydrophobicContact CD1-CD1 4.36Å; L79-L83 HydrophobicContact CD1-CG 4.48Å; L79-L83 HydrophobicContact CG-CD1 4.24Å; L79-L83 WeakPolarHBondContact O-CG 3.37Å; L79-L83 PolarHBondContact O-N 3.15Å
80	Y	98.4	Very high	97.7	Very high	98 Å²	98	59 Å²	59	38%	0.384	30%	0.303	S	S	.	.	H	α-helix	trans	-63.6	-35.7	173.9	-69.7	-49.1	0	0	0	112.7	L76 H77 L83 G84 I85 K86	L76-Y80 HydrophobicContact CD1-CD2 4.42Å; L76-Y80 HydrophobicContact CD1-CE2 3.8Å; L76-Y80 HydrophobicContact CD2-CE2 4.18Å; L76-Y80 HydrophobicContact CG-CD2 4.22Å; L76-Y80 HydrophobicContact CG-CE2 3.68Å; L76-Y80 WeakPolarHBondContact O-CD2 3.38Å; L76-Y80 PolarHBondContact O-N 3.13Å; L76-Y80 VanDerWaalsContact O-N 3.08Å; H77-Y80 WeakPolarHBondContact O-CB 3.35Å; H77-Y80 PolarHBondContact O-N 2.82Å; H77-Y80 VanDerWaalsContact O-N 3.08Å; Y80-L83 PolarHBondContact O-N 3.39Å; Y80-G84 PolarHBondContact O-N 2.82Å; Y80-I85 HydrophobicContact CD1-CD1 3.82Å; Y80-I85 HydrophobicContact CD1-CG2 4.44Å; Y80-I85 HydrophobicContact CE1-CD1 4.47Å; Y80-I85 WeakPolarHBondContact O-CA 3.19Å; Y80-I85 WeakPolarHBondContact O-CB 3.5Å; Y80-I85 PolarHBondContact O-N 3.12Å; Y80-K86 PolarHBondContact O-N 3.16Å
81	Y	98.1	Very high	97.7	Very high	68 Å²	68	61.2 Å²	61.2	27%	0.267	32%	0.318	S	S	.	.	H	α-helix	trans	-61.6	-46.6	171.2	175.7	-87	0	0	0	111.5	H77 N78 L79 L83 G84 K86 Y88 R89	H77-Y81 PolarHBondContact O-N 3.32Å; N78-Y81 WeakPolarHBondContact O-CB 3.32Å; N78-Y81 PolarHBondContact O-N 3.17Å; L79-Y81 VanDerWaalsContact C-N 3.3Å; L79-Y81 PolarHBondContact O-N 2.78Å; Y81-L83 PolarHBondContact O-N 3.44Å; Y81-G84 WeakPolarHBondContact O-CA 3.18Å; Y81-G84 PolarHBondContact O-N 3.28Å; Y81-K86 WeakPolarHBondContact CD2-O 3.01Å; Y81-Y88 VanDerWaalsContact CD2-C 3.42Å; Y81-Y88 VanDerWaalsContact CD2-O 3.3Å; Y81-Y88 WeakPolarHBondContact CD2-O 3.22Å; Y81-R89 HydrophobicContact CD1-CG 3.46Å; Y81-R89 VanDerWaalsContact CD1-CG 3.46Å; Y81-R89 HydrophobicContact CD2-CG 3.85Å; Y81-R89 HydrophobicContact CE1-CG 3.63Å; Y81-R89 HydrophobicContact CE2-CG 3.97Å; Y81-R89 HydrophobicContact CG-CG 3.57Å
82	D	98.3	Very high	97.7	Very high	101 Å²	101	63.8 Å²	63.8	54%	0.54	33%	0.332	S	S	.	.	H	α-helix	trans	-64.6	-24.6	179.5	-71.9	-30.1	0	0	0	113.3	N78 L79 G84 R89	N78-D82 PolarHBondContact O-N 3.25Å; L79-D82 PolarHBondContact O-N 3.5Å; D82-G84 VanDerWaalsContact C-N 3.32Å; D82-R89 IonicContact OD1-CZ 3.8Å; D82-R89 IonicContact OD1-NH2 3.02Å; D82-R89 PolarHBondContact OD1-NH2 2.69Å; D82-R89 IonicContact OD2-NH2 2.68Å; D82-R89 PolarHBondContact OD2-NH2 3.26Å
83	L	98.3	Very high	97.7	Very high	114 Å²	114	60.7 Å²	60.7	60%	0.597	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.7	2.7	172.4	-65.4	172.4	0	0	0	113.5	L79 Y80 Y81 I85	L79-L83 HydrophobicContact CD1-CD1 4.36Å; L79-L83 HydrophobicContact CD1-CG 4.48Å; L79-L83 HydrophobicContact CG-CD1 4.24Å; L79-L83 WeakPolarHBondContact O-CG 3.37Å; L79-L83 PolarHBondContact O-N 3.15Å; Y80-L83 PolarHBondContact O-N 3.39Å; Y81-L83 PolarHBondContact O-N 3.44Å; L83-I85 VanDerWaalsContact C-N 3.28Å; L83-I85 HydrophobicContact CB-CD1 3.93Å; L83-I85 HydrophobicContact CB-CG1 4.25Å; L83-I85 HydrophobicContact CD1-CD1 4.33Å; L83-I85 PolarHBondContact O-N 3.27Å
84	G	96.9	Very high	97.5	Very high	70 Å²	70	57.5 Å²	57.5	72%	0.722	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	72.7	15.2	-178.8	0	0	0	0	0	114.8	Y80 Y81 D82	Y80-G84 PolarHBondContact O-N 2.82Å; Y81-G84 WeakPolarHBondContact O-CA 3.18Å; Y81-G84 PolarHBondContact O-N 3.28Å; D82-G84 VanDerWaalsContact C-N 3.32Å
85	I	97.7	Very high	97.3	Very high	107 Å²	107	59 Å²	59	55%	0.549	31%	0.309	S	S	.	.	S	Bend	trans	-86.9	-34.1	-178.7	-64.5	163.7	0	0	0	111.3	Y80 L83	Y80-I85 HydrophobicContact CD1-CD1 3.82Å; Y80-I85 HydrophobicContact CD1-CG2 4.44Å; Y80-I85 HydrophobicContact CE1-CD1 4.47Å; Y80-I85 WeakPolarHBondContact O-CA 3.19Å; Y80-I85 WeakPolarHBondContact O-CB 3.5Å; Y80-I85 PolarHBondContact O-N 3.12Å; L83-I85 VanDerWaalsContact C-N 3.28Å; L83-I85 HydrophobicContact CB-CD1 3.93Å; L83-I85 HydrophobicContact CB-CG1 4.25Å; L83-I85 HydrophobicContact CD1-CD1 4.33Å; L83-I85 PolarHBondContact O-N 3.27Å
86	K	97.8	Very high	97.2	Very high	56 Å²	56	54.5 Å²	54.5	24%	0.243	29%	0.286	C	S	.	.			trans	-112.2	152.1	175.5	-68.5	-65.2	-173.4	-177.8	0	110.4	Y80 Y81 D283	Y80-K86 PolarHBondContact O-N 3.16Å; Y81-K86 WeakPolarHBondContact CD2-O 3.01Å; K86-D283 IonicContact NZ-OD2 3.3Å; K86-D283 PolarHBondContact NZ-OD2 3.15Å; K86-D283 VanDerWaalsContact NZ-OD2 3.1Å
87	T	98	Very high	97	Very high	42 Å²	42	50.5 Å²	50.5	26%	0.258	27%	0.265	S	S	.	.	S	Bend	trans	-101.7	-2.1	-170.9	54.1	0	0	0	0	113.8	V279 L281 I305	T87-V279 WeakPolarHBondContact CB-O 3.33Å; T87-V279 PolarHBondContact O-N 3.49Å; T87-V279 PolarHBondContact OG1-O 3.05Å; T87-L281 HydrophobicContact CG2-CD1 4.27Å; T87-L281 VanDerWaalsContact OG1-CD1 3.29Å; T87-L281 WeakPolarHBondContact OG1-CD1 3.39Å; T87-I305 HydrophobicContact CG2-CD1 3.35Å
88	Y	98.4	Very high	96.7	Very high	4 Å²	4	51.8 Å²	51.8	2%	0.016	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	157.1	-179.4	70.6	-82	0	0	0	110.5	H77 Y81 K90 E271 Y275 S277 L280	H77-Y88 AromaticContact CE1-CE1 3.53Å; H77-Y88 AromaticContact CE1-CE2 3.47Å; H77-Y88 VanDerWaalsContact CE1-CE2 3.47Å; H77-Y88 WeakPolarHBondContact CE1-CE2 3.34Å; H77-Y88 AromaticContact CE1-CZ 3.17Å; H77-Y88 PolarHBondContact CE1-OH 3.27Å; H77-Y88 AromaticContact NE2-CD2 3.64Å; H77-Y88 AromaticContact NE2-CE1 3.96Å; H77-Y88 AromaticContact NE2-CE2 3.42Å; H77-Y88 WeakPolarHBondContact NE2-CE2 3.42Å; H77-Y88 AromaticContact NE2-CG 3.99Å; H77-Y88 AromaticContact NE2-CZ 3.61Å; H77-Y88 PolarHBondContact NE2-O 3.31Å; Y81-Y88 VanDerWaalsContact CD2-C 3.42Å; Y81-Y88 VanDerWaalsContact CD2-O 3.3Å; Y81-Y88 WeakPolarHBondContact CD2-O 3.22Å; Y88-K90 HydrophobicContact CE2-CG 4.01Å; Y88-E271 PolarHBondContact OH-OE2 2.89Å; Y88-Y275 HydrophobicContact CD2-CD2 4.21Å; Y88-S277 CarbonylContact C-O 3.44Å; Y88-S277 WeakPolarHBondContact CA-O 3.44Å; Y88-S277 WeakPolarHBondContact CB-O 3.19Å; Y88-L280 HydrophobicContact CD1-CD1 3.99Å; Y88-L280 HydrophobicContact CD2-CD1 3.76Å; Y88-L280 HydrophobicContact CE1-CD1 3.67Å; Y88-L280 HydrophobicContact CE2-CD1 3.42Å; Y88-L280 VanDerWaalsContact CE2-CD1 3.42Å; Y88-L280 HydrophobicContact CG-CD1 4.01Å
89	R	98.4	Very high	96.5	Very high	75 Å²	75	51.3 Å²	51.3	28%	0.283	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	146.4	173.5	-74.1	-178.6	150.6	-83.1	-0.3	110.6	N78 Y81 D82 G276 S277	N78-R89 WeakPolarHBondContact OD1-CA 3.42Å; Y81-R89 HydrophobicContact CD1-CG 3.46Å; Y81-R89 VanDerWaalsContact CD1-CG 3.46Å; Y81-R89 HydrophobicContact CD2-CG 3.85Å; Y81-R89 HydrophobicContact CE1-CG 3.63Å; Y81-R89 HydrophobicContact CE2-CG 3.97Å; Y81-R89 HydrophobicContact CG-CG 3.57Å; D82-R89 IonicContact OD1-CZ 3.8Å; D82-R89 IonicContact OD1-NH2 3.02Å; D82-R89 PolarHBondContact OD1-NH2 2.69Å; D82-R89 IonicContact OD2-NH2 2.68Å; D82-R89 PolarHBondContact OD2-NH2 3.26Å; R89-G276 WeakPolarHBondContact O-CA 3.46Å; R89-G276 PolarHBondContact O-N 2.99Å; R89-S277 PolarHBondContact N-O 3.46Å; R89-S277 PolarHBondContact O-N 3.32Å
90	K	98.3	Very high	96.2	Very high	17 Å²	17	48.8 Å²	48.8	7%	0.074	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	148	167.3	-68.8	-179.3	176.6	-169.3	0	110.7	I74 H77 N78 Y88 E271 T274	I74-K90 HydrophobicContact CB-CB 4.28Å; I74-K90 HydrophobicContact CG1-CB 3.94Å; I74-K90 HydrophobicContact CG1-CD 4.29Å; I74-K90 HydrophobicContact CG2-CB 3.98Å; H77-K90 HydrophobicContact CB-CD 3.83Å; H77-K90 HydrophobicContact CB-CG 4.41Å; N78-K90 PolarHBondContact ND2-O 2.85Å; N78-K90 PolarHBondContact OD1-N 2.93Å; N78-K90 PolarHBondContact OD1-O 2.85Å; Y88-K90 HydrophobicContact CE2-CG 4.01Å; K90-E271 WeakPolarHBondContact CE-OE2 3.42Å; K90-E271 VanDerWaalsContact NZ-CD 3.33Å; K90-E271 IonicContact NZ-OE1 3.63Å; K90-E271 PolarHBondContact NZ-OE1 3.09Å; K90-E271 IonicContact NZ-OE2 2.58Å; K90-E271 PolarHBondContact NZ-OE2 2.84Å; K90-T274 CarbonylContact C-O 3.58Å; K90-T274 WeakPolarHBondContact CA-O 3.48Å; K90-T274 VanDerWaalsContact CB-O 3.24Å; K90-T274 WeakPolarHBondContact CB-O 3.4Å; K90-T274 VanDerWaalsContact CD-OG1 3.32Å; K90-T274 WeakPolarHBondContact CD-OG1 3.19Å
91	S	97.5	Very high	95.9	Very high	50 Å²	50	49.2 Å²	49.2	35%	0.35	26%	0.263	S	S	.	.			trans	-119.9	153.6	178.5	-170.9	0	0	0	0	111.4	T274	S91-T274 PolarHBondContact N-O 3.27Å
92	I	95.7	Very high	95.5	Very high	60 Å²	60	49.3 Å²	49.3	31%	0.308	27%	0.266	S	S	.	.			trans	-84.8	113.9	168	-55.7	173.2	0	0	0	107.3	Y51 I71 I74 T96	Y51-I92 PolarHBondContact OH-O 3.32Å; I71-I92 HydrophobicContact CD1-CB 4.4Å; I71-I92 HydrophobicContact CD1-CD1 3.41Å; I71-I92 VanDerWaalsContact CD1-CD1 3.41Å; I71-I92 HydrophobicContact CD1-CG1 3.53Å; I71-I92 HydrophobicContact CD1-CG2 4.02Å; I74-I92 HydrophobicContact CD1-CG1 4.25Å; I92-T96 HydrophobicContact CG2-CG2 4.3Å
93	N	94.7	Very high	94.9	Very high	1 Å²	1	45.5 Å²	45.5	1%	0.005	24%	0.244	C	C	.	.			trans	-133.3	-175.3	-178.2	66.2	34.8	0	0	0	111.9	W47 Y51 Y95 T96 L273	W47-N93 VanDerWaalsContact CZ2-O 3.27Å; W47-N93 WeakPolarHBondContact CZ2-O 3.29Å; W47-N93 PolarHBondContact NE1-O 3.14Å; Y51-N93 WeakPolarHBondContact OH-CA 3.47Å; N93-Y95 PolarHBondContact O-N 3.43Å; N93-Y95 WeakPolarHBondContact OD1-CA 3.39Å; N93-Y95 WeakPolarHBondContact OD1-CB 3.29Å; N93-Y95 PolarHBondContact OD1-N 3.22Å; N93-T96 PolarHBondContact N-OG1 2.97Å; N93-T96 WeakPolarHBondContact O-CB 3.46Å; N93-T96 PolarHBondContact O-N 2.98Å; N93-T96 VanDerWaalsContact O-N 3.09Å; N93-T96 PolarHBondContact O-OG1 3.45Å; N93-L273 PolarHBondContact ND2-O 2.78Å; N93-L273 PolarHBondContact OD1-O 2.77Å
94	Q	93	Very high	94.4	Very high	28 Å²	28	43.1 Å²	43.1	13%	0.131	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.1	-14.1	179.8	68.5	-84	24.4	0	0	115	Y51 L314	Y51-Q94 HydrophobicContact CD1-CB 3.82Å; Y51-Q94 HydrophobicContact CG-CB 3.94Å; Q94-L314 PolarHBondContact NE2-O 3.12Å
95	Y	93.2	Very high	93.8	Very high	36 Å²	36	43.5 Å²	43.5	14%	0.141	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.2	3.4	179.3	-53.9	-66.2	0	0	0	113.4	N93 A97 I98 L273 L314 F318	N93-Y95 PolarHBondContact O-N 3.43Å; N93-Y95 WeakPolarHBondContact OD1-CA 3.39Å; N93-Y95 WeakPolarHBondContact OD1-CB 3.29Å; N93-Y95 PolarHBondContact OD1-N 3.22Å; Y95-A97 PolarHBondContact O-N 2.81Å; Y95-A97 VanDerWaalsContact O-N 3.17Å; Y95-I98 HydrophobicContact CD1-CD1 3.7Å; Y95-I98 HydrophobicContact CG-CD1 4.24Å; Y95-I98 WeakPolarHBondContact O-CB 3.29Å; Y95-I98 WeakPolarHBondContact O-CG1 3.25Å; Y95-I98 PolarHBondContact O-N 2.83Å; Y95-L273 HydrophobicContact CG-CD2 4.36Å; Y95-L314 HydrophobicContact CE1-CD2 4.08Å; Y95-L314 HydrophobicContact CE2-CB 3.65Å; Y95-L314 HydrophobicContact CE2-CD1 4.14Å; Y95-L314 HydrophobicContact CE2-CD2 4.1Å; Y95-L314 HydrophobicContact CE2-CG 4.16Å; Y95-L314 WeakPolarHBondContact OH-CA 3.48Å; Y95-L314 WeakPolarHBondContact OH-CD2 3.42Å; Y95-L314 PolarHBondContact OH-O 3.5Å; Y95-F318 AromaticContact CD2-CD2 3.93Å; Y95-F318 HydrophobicContact CD2-CD2 3.93Å; Y95-F318 HydrophobicContact CE2-CB 4.19Å; Y95-F318 HydrophobicContact CE2-CD2 4.05Å; Y95-F318 HydrophobicContact CE2-CG 4.41Å
96	T	95.1	Very high	92.9	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.6	-29	-175.5	-53.8	0	0	0	0	112.9	W67 N70 I71 I74 I92 N93 I98	W67-T96 HydrophobicContact CG-CG2 4.27Å; N70-T96 HydrophobicContact CB-CG2 4.16Å; N70-T96 VanDerWaalsContact CB-O 3.24Å; N70-T96 WeakPolarHBondContact CB-O 3.35Å; N70-T96 PolarHBondContact ND2-O 3.36Å; I71-T96 HydrophobicContact CD1-CG2 3.9Å; I71-T96 HydrophobicContact CG1-CG2 4.28Å; I74-T96 HydrophobicContact CD1-CG2 4.09Å; I92-T96 HydrophobicContact CG2-CG2 4.3Å; N93-T96 PolarHBondContact N-OG1 2.97Å; N93-T96 WeakPolarHBondContact O-CB 3.46Å; N93-T96 PolarHBondContact O-N 2.98Å; N93-T96 VanDerWaalsContact O-N 3.09Å; N93-T96 PolarHBondContact O-OG1 3.45Å; T96-I98 VanDerWaalsContact C-N 3.3Å; T96-I98 PolarHBondContact O-N 3.46Å
97	A	94.1	Very high	91.9	Very high	5 Å²	5	44.2 Å²	44.2	4%	0.041	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.3	-4.2	178.3	0	0	0	0	0	114	W44 W47 D63 Y66 W67 Y95 N99	W44-A97 HydrophobicContact CH2-CB 4.26Å; W44-A97 HydrophobicContact CZ3-CB 4.08Å; W47-A97 HydrophobicContact CH2-CB 3.82Å; W47-A97 HydrophobicContact CZ2-CB 4.49Å; W47-A97 HydrophobicContact CZ3-CB 4.26Å; D63-A97 HydrophobicContact CB-CB 4.37Å; Y66-A97 WeakPolarHBondContact CB-O 3.37Å; W67-A97 HydrophobicContact CB-CB 4.07Å; Y95-A97 PolarHBondContact O-N 2.81Å; Y95-A97 VanDerWaalsContact O-N 3.17Å; A97-N99 PolarHBondContact O-N 3.14Å
98	I	92	Very high	90.9	Very high	40 Å²	40	42.3 Å²	42.3	21%	0.205	20%	0.203	C	C	.	.			trans	-65.2	126.7	-174.8	-70.8	-172.8	0	0	0	111.7	N70 Y95 T96 W100 F103 L273	N70-I98 PolarHBondContact ND2-O 2.84Å; Y95-I98 HydrophobicContact CD1-CD1 3.7Å; Y95-I98 HydrophobicContact CG-CD1 4.24Å; Y95-I98 WeakPolarHBondContact O-CB 3.29Å; Y95-I98 WeakPolarHBondContact O-CG1 3.25Å; Y95-I98 PolarHBondContact O-N 2.83Å; T96-I98 VanDerWaalsContact C-N 3.3Å; T96-I98 PolarHBondContact O-N 3.46Å; I98-W100 PolarHBondContact O-N 3.45Å; I98-F103 HydrophobicContact CD1-CD2 4.09Å; I98-F103 HydrophobicContact CD1-CE2 4.41Å; I98-F103 HydrophobicContact CG2-CB 3.72Å; I98-F103 HydrophobicContact CG2-CD2 4.15Å; I98-F103 HydrophobicContact CG2-CG 4.17Å; I98-L273 HydrophobicContact CB-CD1 4.21Å; I98-L273 HydrophobicContact CD1-CD1 4.2Å; I98-L273 HydrophobicContact CD1-CD2 4.39Å; I98-L273 HydrophobicContact CG2-CD1 3.78Å
99	N	93.7	Very high	89.8	Confident	14 Å²	14	48.4 Å²	48.4	8%	0.075	23%	0.23	C	C	.	.			trans	-75.7	105.4	160.9	178.6	-1.7	0	0	0	110.2	Y66 A97 N101 E102 F103	Y66-N99 HydrophobicContact CD1-CB 3.94Å; Y66-N99 HydrophobicContact CD2-CB 3.76Å; Y66-N99 HydrophobicContact CE1-CB 3.89Å; Y66-N99 HydrophobicContact CE2-CB 3.72Å; Y66-N99 WeakPolarHBondContact CE2-ND2 3.27Å; Y66-N99 HydrophobicContact CG-CB 3.89Å; Y66-N99 PolarHBondContact OH-ND2 2.79Å; A97-N99 PolarHBondContact O-N 3.14Å; N99-N101 VanDerWaalsContact C-N 3.27Å; N99-N101 PolarHBondContact O-N 2.9Å; N99-N101 PolarHBondContact OD1-N 2.78Å; N99-N101 VanDerWaalsContact OD1-N 3.12Å; N99-E102 HydrophobicContact CB-CB 4.2Å; N99-E102 VanDerWaalsContact ND2-CG 3.3Å; N99-E102 WeakPolarHBondContact ND2-CG 3.47Å; N99-E102 PolarHBondContact ND2-OE2 2.92Å; N99-E102 PolarHBondContact O-N 3.19Å; N99-E102 VanDerWaalsContact O-N 3.15Å; N99-F103 PolarHBondContact O-N 3.44Å
100	W	92.3	Very high	88.6	Confident	38 Å²	38	50.8 Å²	50.8	14%	0.144	24%	0.242	C	C	.	.	H	α-helix	trans	-55.8	-38.8	-178.6	177.4	-110.1	0	0	0	113.5	I98 E102 F103 Y104 I108 M268 Q270 L273	I98-W100 PolarHBondContact O-N 3.45Å; W100-E102 VanDerWaalsContact C-N 3.33Å; W100-E102 PolarHBondContact O-N 3.49Å; W100-F103 AromaticContact CE3-CD1 3.84Å; W100-F103 HydrophobicContact CE3-CD1 3.84Å; W100-F103 HydrophobicContact CE3-CG 4.47Å; W100-F103 HydrophobicContact CH2-CD1 4.21Å; W100-F103 HydrophobicContact CH2-CE1 4.34Å; W100-F103 AromaticContact CZ3-CD1 3.49Å; W100-F103 HydrophobicContact CZ3-CD1 3.49Å; W100-F103 VanDerWaalsContact CZ3-CD1 3.49Å; W100-F103 AromaticContact CZ3-CE1 3.75Å; W100-F103 HydrophobicContact CZ3-CE1 3.75Å; W100-F103 HydrophobicContact CZ3-CG 4.47Å; W100-F103 PolarHBondContact O-N 2.76Å; W100-Y104 AromaticContact CZ2-CD2 3.92Å; W100-Y104 HydrophobicContact CZ2-CD2 3.92Å; W100-Y104 WeakPolarHBondContact O-CB 3.4Å; W100-Y104 PolarHBondContact O-N 2.87Å; W100-I108 HydrophobicContact CH2-CD1 3.68Å; W100-I108 HydrophobicContact CZ2-CD1 4.05Å; W100-I108 HydrophobicContact CZ3-CD1 4.46Å; W100-M268 WeakPolarHBondContact CH2-O 3.36Å; W100-Q270 HydrophobicContact CB-CB 4.13Å; W100-Q270 HydrophobicContact CB-CG 4.04Å; W100-Q270 HydrophobicContact CD2-CB 3.68Å; W100-Q270 HydrophobicContact CD2-CG 4.39Å; W100-Q270 HydrophobicContact CE3-CB 3.95Å; W100-Q270 HydrophobicContact CE3-CG 4.48Å; W100-Q270 HydrophobicContact CG-CB 3.74Å; W100-Q270 HydrophobicContact CG-CG 4.21Å; W100-L273 HydrophobicContact CE3-CD1 3.82Å; W100-L273 HydrophobicContact CZ3-CD1 4.03Å
101	N	92.1	Very high	87.1	Confident	107 Å²	107	50.3 Å²	50.3	57%	0.572	24%	0.24	S	C	*	.	H	α-helix	trans	-66.8	-37.2	-178.1	-72.2	-20.6	0	0	0	111.7	N99 N105	N99-N101 VanDerWaalsContact C-N 3.27Å; N99-N101 PolarHBondContact O-N 2.9Å; N99-N101 PolarHBondContact OD1-N 2.78Å; N99-N101 VanDerWaalsContact OD1-N 3.12Å; N101-N105 WeakPolarHBondContact O-CB 3.26Å; N101-N105 PolarHBondContact O-N 3.19Å; N101-N105 VanDerWaalsContact O-N 3.11Å; N101-N105 PolarHBondContact O-ND2 3.44Å
102	E	89.4	Confident	85.7	Confident	71 Å²	71	48.7 Å²	48.7	33%	0.332	23%	0.227	S	C	.	.	H	α-helix	trans	-72.2	-44.9	174.8	-79	173.5	164.8	0	0	111.4	K62 N99 W100 Y104 N105 Q106	K62-E102 WeakPolarHBondContact CE-OE1 3.24Å; K62-E102 WeakPolarHBondContact CE-OE2 3.4Å; K62-E102 IonicContact NZ-OE1 2.78Å; K62-E102 PolarHBondContact NZ-OE1 2.04Å; K62-E102 IonicContact NZ-OE2 2.67Å; K62-E102 PolarHBondContact NZ-OE2 2.93Å; N99-E102 HydrophobicContact CB-CB 4.2Å; N99-E102 VanDerWaalsContact ND2-CG 3.3Å; N99-E102 WeakPolarHBondContact ND2-CG 3.47Å; N99-E102 PolarHBondContact ND2-OE2 2.92Å; N99-E102 PolarHBondContact O-N 3.19Å; N99-E102 VanDerWaalsContact O-N 3.15Å; W100-E102 VanDerWaalsContact C-N 3.33Å; W100-E102 PolarHBondContact O-N 3.49Å; E102-Y104 VanDerWaalsContact C-N 3.33Å; E102-Y104 PolarHBondContact O-N 3.33Å; E102-N105 PolarHBondContact O-N 3.25Å; E102-Q106 VanDerWaalsContact O-CB 3.28Å; E102-Q106 WeakPolarHBondContact O-CB 3.27Å; E102-Q106 VanDerWaalsContact O-CG 3.26Å; E102-Q106 WeakPolarHBondContact O-CG 3.47Å; E102-Q106 PolarHBondContact O-N 2.91Å
103	F	87	Confident	83.9	Confident	20 Å²	20	53.3 Å²	53.3	9%	0.088	25%	0.248	C	C	.	.	H	α-helix	trans	-54.7	-49.3	174.3	-178.8	-85.8	0	0	0	111.4	I98 N99 W100 Q106 K107 I108 M268	I98-F103 HydrophobicContact CD1-CD2 4.09Å; I98-F103 HydrophobicContact CD1-CE2 4.41Å; I98-F103 HydrophobicContact CG2-CB 3.72Å; I98-F103 HydrophobicContact CG2-CD2 4.15Å; I98-F103 HydrophobicContact CG2-CG 4.17Å; N99-F103 PolarHBondContact O-N 3.44Å; W100-F103 AromaticContact CE3-CD1 3.84Å; W100-F103 HydrophobicContact CE3-CD1 3.84Å; W100-F103 HydrophobicContact CE3-CG 4.47Å; W100-F103 HydrophobicContact CH2-CD1 4.21Å; W100-F103 HydrophobicContact CH2-CE1 4.34Å; W100-F103 AromaticContact CZ3-CD1 3.49Å; W100-F103 HydrophobicContact CZ3-CD1 3.49Å; W100-F103 VanDerWaalsContact CZ3-CD1 3.49Å; W100-F103 AromaticContact CZ3-CE1 3.75Å; W100-F103 HydrophobicContact CZ3-CE1 3.75Å; W100-F103 HydrophobicContact CZ3-CG 4.47Å; W100-F103 PolarHBondContact O-N 2.76Å; F103-Q106 PolarHBondContact O-N 3.07Å; F103-K107 HydrophobicContact CD2-CD 4Å; F103-K107 HydrophobicContact CE2-CD 3.6Å; F103-K107 HydrophobicContact CE2-CG 4.49Å; F103-K107 HydrophobicContact CZ-CD 4.02Å; F103-K107 WeakPolarHBondContact O-CB 3.28Å; F103-K107 PolarHBondContact O-N 3.3Å; F103-I108 HydrophobicContact CD1-CD1 4.27Å; F103-I108 HydrophobicContact CE1-CD1 4.15Å; F103-I108 HydrophobicContact CE1-CG1 4.4Å; F103-M268 HydrophobicContact CE1-CE 4.49Å; F103-M268 HydrophobicContact CE1-SD 4.16Å; F103-M268 HydrophobicContact CZ-CE 4.21Å; F103-M268 HydrophobicContact CZ-SD 4.17Å
104	Y	87.2	Confident	82	Confident	64 Å²	64	58.1 Å²	58.1	25%	0.251	27%	0.267	S	S	.	.	I	π-helix	trans	-59.7	-50	178.5	-177.6	-84.9	0	0	0	111.9	W100 E102 Q106 I108 K109 E288	W100-Y104 AromaticContact CZ2-CD2 3.92Å; W100-Y104 HydrophobicContact CZ2-CD2 3.92Å; W100-Y104 WeakPolarHBondContact O-CB 3.4Å; W100-Y104 PolarHBondContact O-N 2.87Å; E102-Y104 VanDerWaalsContact C-N 3.33Å; E102-Y104 PolarHBondContact O-N 3.33Å; Y104-Q106 PolarHBondContact O-N 3.03Å; Y104-I108 HydrophobicContact CD2-CB 4.1Å; Y104-I108 HydrophobicContact CD2-CD1 3.56Å; Y104-I108 HydrophobicContact CD2-CG1 4.3Å; Y104-I108 HydrophobicContact CD2-CG2 4.28Å; Y104-I108 HydrophobicContact CE2-CB 4.33Å; Y104-I108 HydrophobicContact CE2-CD1 4.21Å; Y104-I108 HydrophobicContact CE2-CG2 4.04Å; Y104-I108 HydrophobicContact CG-CB 4.34Å; Y104-I108 HydrophobicContact CG-CD1 4.22Å; Y104-I108 WeakPolarHBondContact O-CA 3.35Å; Y104-I108 WeakPolarHBondContact O-CB 2.96Å; Y104-I108 PolarHBondContact O-N 3.23Å; Y104-K109 HydrophobicContact CD1-CB 4.43Å; Y104-K109 HydrophobicContact CE1-CB 4.21Å; Y104-K109 PolarHBondContact O-N 3.05Å; Y104-E288 WeakPolarHBondContact CE2-OE2 3.22Å; Y104-E288 PolarHBondContact OH-OE2 3.39Å
105	N	84.9	Confident	80.3	Confident	79 Å²	79	58.3 Å²	58.3	42%	0.422	27%	0.267	S	S	.	.	I	π-helix	trans	-68.3	-37.7	-177.4	-75.4	-54.1	0	0	0	112.6	N101 E102	N101-N105 WeakPolarHBondContact O-CB 3.26Å; N101-N105 PolarHBondContact O-N 3.19Å; N101-N105 VanDerWaalsContact O-N 3.11Å; N101-N105 PolarHBondContact O-ND2 3.44Å; E102-N105 PolarHBondContact O-N 3.25Å
106	Q	78.7	Confident	78.4	Confident	131 Å²	131	64.3 Å²	64.3	61%	0.612	29%	0.294	S	S	*	.	I	π-helix	trans	-79	-46.2	-177.4	-68.2	179.6	19	0	0	112.7	E102 F103 Y104 K110	E102-Q106 VanDerWaalsContact O-CB 3.28Å; E102-Q106 WeakPolarHBondContact O-CB 3.27Å; E102-Q106 VanDerWaalsContact O-CG 3.26Å; E102-Q106 WeakPolarHBondContact O-CG 3.47Å; E102-Q106 PolarHBondContact O-N 2.91Å; F103-Q106 PolarHBondContact O-N 3.07Å; Y104-Q106 PolarHBondContact O-N 3.03Å; Q106-K110 WeakPolarHBondContact O-CB 3.07Å
107	K	75.8	Confident	76.1	Confident	47 Å²	47	71.3 Å²	71.3	20%	0.204	33%	0.331	C	S	.	.	I	π-helix	trans	-97	-32.4	-173.2	-63.6	-162	179.4	-174.3	0	113.8	F103 N111 E154 D155	F103-K107 HydrophobicContact CD2-CD 4Å; F103-K107 HydrophobicContact CE2-CD 3.6Å; F103-K107 HydrophobicContact CE2-CG 4.49Å; F103-K107 HydrophobicContact CZ-CD 4.02Å; F103-K107 WeakPolarHBondContact O-CB 3.28Å; F103-K107 PolarHBondContact O-N 3.3Å; K107-N111 WeakPolarHBondContact O-CB 3.22Å; K107-N111 VanDerWaalsContact O-CG 3.25Å; K107-N111 PolarHBondContact O-ND2 3.3Å; K107-E154 PolarHBondContact NZ-O 3.16Å; K107-D155 IonicContact NZ-OD1 3.92Å
108	I	77.5	Confident	74.1	Confident	2 Å²	2	74.6 Å²	74.6	1%	0.01	35%	0.351	C	S	.	.	I	π-helix	trans	-96	-62.6	-173.1	-51.8	-178.6	0	0	0	110.5	W100 F103 Y104 K110 N111 N112 F291	W100-I108 HydrophobicContact CH2-CD1 3.68Å; W100-I108 HydrophobicContact CZ2-CD1 4.05Å; W100-I108 HydrophobicContact CZ3-CD1 4.46Å; F103-I108 HydrophobicContact CD1-CD1 4.27Å; F103-I108 HydrophobicContact CE1-CD1 4.15Å; F103-I108 HydrophobicContact CE1-CG1 4.4Å; Y104-I108 HydrophobicContact CD2-CB 4.1Å; Y104-I108 HydrophobicContact CD2-CD1 3.56Å; Y104-I108 HydrophobicContact CD2-CG1 4.3Å; Y104-I108 HydrophobicContact CD2-CG2 4.28Å; Y104-I108 HydrophobicContact CE2-CB 4.33Å; Y104-I108 HydrophobicContact CE2-CD1 4.21Å; Y104-I108 HydrophobicContact CE2-CG2 4.04Å; Y104-I108 HydrophobicContact CG-CB 4.34Å; Y104-I108 HydrophobicContact CG-CD1 4.22Å; Y104-I108 WeakPolarHBondContact O-CA 3.35Å; Y104-I108 WeakPolarHBondContact O-CB 2.96Å; Y104-I108 PolarHBondContact O-N 3.23Å; I108-K110 VanDerWaalsContact C-N 3.33Å; I108-K110 PolarHBondContact O-N 3.23Å; I108-N111 PolarHBondContact O-N 2.68Å; I108-N111 VanDerWaalsContact O-N 3.13Å; I108-N112 PolarHBondContact O-N 3.43Å; I108-N112 VanDerWaalsContact O-N 3.09Å; I108-F291 HydrophobicContact CB-CD1 4.26Å; I108-F291 HydrophobicContact CB-CE1 4.17Å; I108-F291 HydrophobicContact CB-CZ 4.39Å; I108-F291 HydrophobicContact CD1-CD1 4.09Å; I108-F291 HydrophobicContact CD1-CE1 3.2Å; I108-F291 HydrophobicContact CD1-CE2 4.24Å; I108-F291 HydrophobicContact CD1-CZ 3.31Å; I108-F291 HydrophobicContact CG1-CD1 3.98Å; I108-F291 HydrophobicContact CG1-CD2 4.22Å; I108-F291 HydrophobicContact CG1-CE1 3.43Å; I108-F291 VanDerWaalsContact CG1-CE1 3.43Å; I108-F291 HydrophobicContact CG1-CE2 3.73Å; I108-F291 HydrophobicContact CG1-CG 4.34Å; I108-F291 HydrophobicContact CG1-CZ 3.3Å; I108-F291 HydrophobicContact CG2-CD1 3.5Å; I108-F291 VanDerWaalsContact CG2-CD1 3.5Å; I108-F291 HydrophobicContact CG2-CE1 3.78Å; I108-F291 HydrophobicContact CG2-CG 3.93Å; I108-F291 HydrophobicContact CG2-CZ 4.46Å
109	K	75.9	Confident	72	Confident	132 Å²	132	82 Å²	82	57%	0.574	38%	0.381	S	S	*	.	I	π-helix	trans	-62.2	-38.6	-172.5	-171.1	176.3	-179.3	176.6	0	113.1	Y104	Y104-K109 HydrophobicContact CD1-CB 4.43Å; Y104-K109 HydrophobicContact CE1-CB 4.21Å; Y104-K109 PolarHBondContact O-N 3.05Å
110	K	71.7	Confident	69.8	Low	125 Å²	125	88 Å²	88	54%	0.543	41%	0.407	S	S	.	.	H	α-helix	trans	-66.3	-37.7	177.6	-170.3	-177.2	175.1	-168.4	0	112	Q106 I108	Q106-K110 WeakPolarHBondContact O-CB 3.07Å; I108-K110 VanDerWaalsContact C-N 3.33Å; I108-K110 PolarHBondContact O-N 3.23Å
111	N	68.5	Low	67.9	Low	7 Å²	7	91.2 Å²	91.2	4%	0.037	43%	0.425	C	S	.	.	H	α-helix	trans	-80.2	-32.9	-174.7	-75	-10.1	0	0	0	113.1	K107 I108 Q113 Y114 A157 E198	K107-N111 WeakPolarHBondContact O-CB 3.22Å; K107-N111 VanDerWaalsContact O-CG 3.25Å; K107-N111 PolarHBondContact O-ND2 3.3Å; I108-N111 PolarHBondContact O-N 2.68Å; I108-N111 VanDerWaalsContact O-N 3.13Å; N111-Q113 PolarHBondContact O-N 3.46Å; N111-Q113 VanDerWaalsContact O-N 3.12Å; N111-Y114 PolarHBondContact O-N 3.48Å; N111-Y114 VanDerWaalsContact O-N 3.12Å; N111-A157 WeakPolarHBondContact ND2-CB 3.37Å; N111-E198 HydrophobicContact CB-CB 4.04Å; N111-E198 HydrophobicContact CB-CG 4.19Å
112	N	66.8	Low	65.8	Low	15 Å²	15	93.4 Å²	93.4	8%	0.08	44%	0.437	C	S	.	.	H	α-helix	trans	-63.6	-19.8	178.2	-71.6	-5.8	0	0	0	113.8	I108 Y114 F115 E289 F291	I108-N112 PolarHBondContact O-N 3.43Å; I108-N112 VanDerWaalsContact O-N 3.09Å; N112-Y114 PolarHBondContact O-N 3.48Å; N112-F115 PolarHBondContact O-N 3.16Å; N112-E289 WeakPolarHBondContact CB-OE2 3.4Å; N112-E289 VanDerWaalsContact CG-OE2 3.29Å; N112-E289 WeakPolarHBondContact ND2-CB 3.34Å; N112-E289 PolarHBondContact ND2-OE2 3.07Å; N112-F291 WeakPolarHBondContact OD1-CB 3.27Å
113	Q	58.6	Low	64.1	Low	158 Å²	158	93.9 Å²	93.9	74%	0.738	44%	0.438	S	S	*	.	H	α-helix	trans	-61.7	-29	175.3	-171.6	173.1	-17.2	0	0	112.6	N111	N111-Q113 PolarHBondContact O-N 3.46Å; N111-Q113 VanDerWaalsContact O-N 3.12Å
114	Y	54.3	Low	62.5	Low	102 Å²	102	97.6 Å²	97.6	40%	0.4	46%	0.458	S	S	.	.	H	α-helix	trans	-81.8	-24.5	-179.1	-61.9	-78.4	0	0	0	113.1	N111 N112 V197	N111-Y114 PolarHBondContact O-N 3.48Å; N111-Y114 VanDerWaalsContact O-N 3.12Å; N112-Y114 PolarHBondContact O-N 3.48Å; Y114-V197 HydrophobicContact CD2-CG1 3.5Å; Y114-V197 HydrophobicContact CE2-CG1 3.76Å; Y114-V197 HydrophobicContact CG-CG1 4.12Å
115	F	57.4	Low	60.9	Low	31 Å²	31	103.8 Å²	103.8	14%	0.136	48%	0.481	C	S	.	.	H	α-helix	trans	-83.3	-25.5	-166.6	-119.5	-84.1	0	0	0	115.9	N112 N117 T118 E198 N199 P200 R265	N112-F115 PolarHBondContact O-N 3.16Å; F115-N117 PolarHBondContact O-N 2.94Å; F115-T118 PolarHBondContact O-N 3.48Å; F115-T118 VanDerWaalsContact O-N 3.16Å; F115-T118 PolarHBondContact O-OG1 2.96Å; F115-E198 HydrophobicContact CE2-CB 4.47Å; F115-N199 WeakPolarHBondContact CZ-O 3.37Å; F115-P200 HydrophobicContact CD1-CG 4.36Å; F115-P200 HydrophobicContact CE1-CB 3.98Å; F115-P200 HydrophobicContact CE1-CG 3.5Å; F115-P200 HydrophobicContact CE2-CG 4.22Å; F115-P200 HydrophobicContact CZ-CB 3.82Å; F115-P200 HydrophobicContact CZ-CG 3.46Å; F115-P200 VanDerWaalsContact CZ-CG 3.46Å; F115-R265 VanDerWaalsContact CZ-NH2 3.3Å
116	K	53.3	Low	59.4	Low	163 Å²	163	102 Å²	102	71%	0.709	47%	0.471	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.2	-9.5	-174.6	-71.1	-175.2	177.9	179.4	0	114.4
117	N	46.4	Very low	58.3	Low	146 Å²	146	102.8 Å²	102.8	78%	0.781	48%	0.48	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.2	3.4	-176.3	-66.5	-24.7	0	0	0	115.3	F115 K119	F115-N117 PolarHBondContact O-N 2.94Å; N117-K119 PolarHBondContact O-N 3.13Å
118	T	52.4	Low	57.4	Low	74 Å²	74	106.4 Å²	106.4	45%	0.454	50%	0.501	S	S	.	.			trans	-81.1	113.9	179.9	40.4	0	0	0	0	111.7	F115 K120 P200	F115-T118 PolarHBondContact O-N 3.48Å; F115-T118 VanDerWaalsContact O-N 3.16Å; F115-T118 PolarHBondContact O-OG1 2.96Å; T118-K120 PolarHBondContact O-N 3.12Å; T118-P200 HydrophobicContact CG2-CG 3.37Å
119	K	47.5	Very low	56.6	Low	195 Å²	195	107.6 Å²	107.6	85%	0.848	51%	0.508	S	S	*	.			trans	-64.1	129.6	174.8	-82.1	179.5	176.5	174.3	0	109.4	N117 M121	N117-K119 PolarHBondContact O-N 3.13Å; K119-M121 PolarHBondContact O-N 3.09Å
120	K	48.9	Very low	56	Low	141 Å²	141	106.7 Å²	106.7	61%	0.613	51%	0.509	S	S	*	.			trans	-52.2	113.9	160.6	-103.8	-177.3	171.3	-178	0	107.2	T118 D247	T118-K120 PolarHBondContact O-N 3.12Å; K120-D247 IonicContact NZ-OD2 3.15Å; K120-D247 PolarHBondContact NZ-OD2 3.12Å; K120-D247 VanDerWaalsContact NZ-OD2 3.15Å
121	M	52.2	Low	55.7	Low	106 Å²	106	106.6 Å²	106.6	52%	0.522	51%	0.514	S	S	.	.			trans	-70.9	158.8	173	-86.2	-168.9	65.9	0	0	110.3	K119 K123 Y242	K119-M121 PolarHBondContact O-N 3.09Å; M121-K123 PolarHBondContact O-N 3.13Å; M121-Y242 HydrophobicContact SD-CE2 4.44Å; M121-Y242 PolarHBondContact SD-OH 3.45Å
122	N	47.3	Very low	55.5	Low	152 Å²	152	110.9 Å²	110.9	81%	0.813	54%	0.537	S	S	*	.			trans	-57.5	115	172.1	-71.1	-23.7	0	0	0	108.5	L124	N122-L124 PolarHBondContact O-N 2.91Å
123	K	53.2	Low	55.6	Low	81 Å²	81	116.5 Å²	116.5	35%	0.352	57%	0.567	S	S	.	*			trans	-55.3	101.6	172.2	-74.9	179.6	170.3	-177.4	0	108.2	M121 R125 D246 D247	M121-K123 PolarHBondContact O-N 3.13Å; K123-R125 PolarHBondContact O-N 3.18Å; K123-D246 WeakPolarHBondContact CD-OD1 3.27Å; K123-D246 VanDerWaalsContact CE-OD1 3.25Å; K123-D246 WeakPolarHBondContact CE-OD1 3.49Å; K123-D246 IonicContact NZ-OD1 2.68Å; K123-D246 PolarHBondContact NZ-OD1 3.42Å; K123-D247 IonicContact NZ-OD1 3.02Å; K123-D247 PolarHBondContact NZ-OD1 2.85Å
124	L	53.5	Low	56.9	Low	99 Å²	99	115.2 Å²	115.2	52%	0.518	57%	0.565	S	S	.	*			trans	-68.9	111.6	164.9	-76.5	167.4	0	0	0	105.7	N122 N126 I243	N122-L124 PolarHBondContact O-N 2.91Å; L124-N126 PolarHBondContact O-N 3.02Å; L124-I243 HydrophobicContact CB-CD1 3.51Å; L124-I243 WeakPolarHBondContact O-CD1 3.44Å; L124-I243 WeakPolarHBondContact O-CG2 3.3Å
125	R	53.2	Low	58.6	Low	194 Å²	194	112.2 Å²	112.2	73%	0.732	56%	0.556	S	S	*	*			trans	-74.1	123.2	171.4	-90.4	-176.4	165.3	169.1	-4.8	108.5	K123 N127 D246	K123-R125 PolarHBondContact O-N 3.18Å; R125-N127 PolarHBondContact O-N 2.68Å; R125-D246 IonicContact NH2-OD2 3.93Å
126	N	55	Low	60.4	Low	41 Å²	41	113 Å²	113	22%	0.219	56%	0.564	C	S	.	*			trans	-78.7	107.3	163.5	-171.7	-0.2	0	0	0	108.1	L124 N128 I129 I243 Y342	L124-N126 PolarHBondContact O-N 3.02Å; N126-N128 PolarHBondContact O-N 3.03Å; N126-N128 VanDerWaalsContact O-N 3.12Å; N126-N128 WeakPolarHBondContact OD1-CB 3.34Å; N126-N128 PolarHBondContact OD1-N 3.02Å; N126-N128 PolarHBondContact OD1-ND2 3.44Å; N126-I129 PolarHBondContact O-N 2.85Å; N126-I243 HydrophobicContact CB-CG1 4.39Å; N126-Y342 WeakPolarHBondContact CB-OH 3.49Å; N126-Y342 PolarHBondContact ND2-OH 3.31Å
127	N	54.1	Low	62.4	Low	147 Å²	147	111.5 Å²	111.5	79%	0.786	56%	0.56	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.6	-4.2	176.4	-68.5	-21.2	0	0	0	113	R125	R125-N127 PolarHBondContact O-N 2.68Å
128	N	57.9	Low	64.9	Low	124 Å²	124	110 Å²	110	66%	0.663	54%	0.544	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.7	0.1	-179.1	-59.7	-19.7	0	0	0	114.1	N126 N130	N126-N128 PolarHBondContact O-N 3.03Å; N126-N128 VanDerWaalsContact O-N 3.12Å; N126-N128 WeakPolarHBondContact OD1-CB 3.34Å; N126-N128 PolarHBondContact OD1-N 3.02Å; N126-N128 PolarHBondContact OD1-ND2 3.44Å; N128-N130 PolarHBondContact O-N 3.12Å
129	I	61.6	Low	67.1	Low	27 Å²	27	107.2 Å²	107.2	14%	0.138	53%	0.527	C	S	.	.	S	Bend	trans	-68.9	105.4	167.1	-61.6	179.6	0	0	0	106.1	N126 N131 K254	N126-I129 PolarHBondContact O-N 2.85Å; I129-N131 PolarHBondContact O-N 2.94Å; I129-K254 HydrophobicContact CG2-CB 3.92Å; I129-K254 HydrophobicContact CG2-CD 4.3Å
130	N	62.5	Low	69.5	Low	112 Å²	112	98.3 Å²	98.3	60%	0.599	49%	0.488	S	S	*	.			trans	-56.4	116.2	169.8	-78.8	-24.9	0	0	0	107.2	N128 D132	N128-N130 PolarHBondContact O-N 3.12Å; N130-D132 HydrophobicContact CB-CB 4.45Å; N130-D132 PolarHBondContact O-N 3.24Å
131	N	64.5	Low	71.8	Confident	124 Å²	124	93.3 Å²	93.3	66%	0.663	47%	0.466	S	S	*	.			trans	-70.6	27.3	170.1	-77.2	-27	0	0	0	111.6	I129 N133	I129-N131 PolarHBondContact O-N 2.94Å; N131-N133 PolarHBondContact O-N 3.08Å; N131-N133 VanDerWaalsContact O-N 3.15Å
132	D	64.7	Low	74	Confident	96 Å²	96	92.3 Å²	92.3	51%	0.513	46%	0.456	S	S	.	.			trans	-67.8	115.8	172.8	-159.8	-14.7	0	0	0	107	N130 N134	N130-D132 HydrophobicContact CB-CB 4.45Å; N130-D132 PolarHBondContact O-N 3.24Å; D132-N134 PolarHBondContact O-N 3.21Å; D132-N134 VanDerWaalsContact O-N 3.11Å; D132-N134 PolarHBondContact OD1-N 3.44Å
133	N	69.5	Low	76.3	Confident	134 Å²	134	90.4 Å²	90.4	72%	0.717	45%	0.446	S	S	*	.	S	Bend	trans	-68	-7.2	179.5	-69.3	-26.6	0	0	0	111.6	N131 I135	N131-N133 PolarHBondContact O-N 3.08Å; N131-N133 VanDerWaalsContact O-N 3.15Å; N133-I135 VanDerWaalsContact C-N 3.28Å; N133-I135 PolarHBondContact O-N 3.22Å; N133-I135 VanDerWaalsContact O-N 3.16Å
134	N	85.5	Confident	78.3	Confident	130 Å²	130	91 Å²	91	70%	0.695	45%	0.453	S	S	*	.			trans	-86.2	60.3	175.3	-66.8	-32.7	0	0	0	112.1	D132	D132-N134 PolarHBondContact O-N 3.21Å; D132-N134 VanDerWaalsContact O-N 3.11Å; D132-N134 PolarHBondContact OD1-N 3.44Å
135	I	90	Very high	80.2	Confident	39 Å²	39	91.7 Å²	91.7	20%	0.2	46%	0.457	C	S	.	.			trans	-75.6	135.6	165	60.9	-177.5	0	0	0	109.3	N133 Q253 K254 Y257	N133-I135 VanDerWaalsContact C-N 3.28Å; N133-I135 PolarHBondContact O-N 3.22Å; N133-I135 VanDerWaalsContact O-N 3.16Å; I135-Q253 HydrophobicContact CD1-CB 4.27Å; I135-Q253 HydrophobicContact CD1-CG 3.84Å; I135-K254 HydrophobicContact CG2-CG 4.31Å; I135-Y257 HydrophobicContact CB-CD1 4.21Å; I135-Y257 HydrophobicContact CG2-CD1 3.75Å; I135-Y257 HydrophobicContact CG2-CE1 4.34Å; I135-Y257 HydrophobicContact CG2-CG 4.5Å
136	P	95.4	Very high	82.2	Confident	48 Å²	48	82.7 Å²	82.7	31%	0.312	42%	0.424	S	S	.	.			trans	-64.5	157.9	179.5	28.1	-35.4	0	0	0	110.7	Y138 V139 Y257 Y299	P136-Y138 VanDerWaalsContact C-N 3.3Å; P136-V139 HydrophobicContact CG-CG2 3.74Å; P136-Y257 VanDerWaalsContact CD-CD2 3.47Å; P136-Y257 VanDerWaalsContact CD-CZ 3.43Å; P136-Y257 HydrophobicContact CG-CD2 3.51Å; P136-Y257 HydrophobicContact CG-CE2 3.4Å; P136-Y257 VanDerWaalsContact CG-CE2 3.4Å; P136-Y257 HydrophobicContact CG-CG 4.23Å; P136-Y299 WeakPolarHBondContact O-CE2 3.27Å; P136-Y299 PolarHBondContact O-OH 3.07Å
137	E	95.7	Very high	84.2	Confident	131 Å²	131	81.8 Å²	81.8	61%	0.612	42%	0.42	S	S	*	.	S	Bend	trans	-73.6	-23.4	177.6	-167.5	178.7	136	0	0	112.9	Y299 I301	E137-Y299 WeakPolarHBondContact O-CD2 3.37Å; E137-Y299 WeakPolarHBondContact O-CE2 3.49Å; E137-I301 HydrophobicContact CG-CD1 3.75Å; E137-I301 HydrophobicContact CG-CG1 3.94Å; E137-I301 WeakPolarHBondContact OE1-CD1 3.48Å
138	Y	98	Very high	86.2	Confident	116 Å²	116	75 Å²	75	46%	0.455	38%	0.383	S	S	.	.			trans	-132.2	131.3	-176.9	179.1	-92.5	0	0	0	111.5	P136 D140 Y299	P136-Y138 VanDerWaalsContact C-N 3.3Å; Y138-D140 HydrophobicContact CE1-CB 3.83Å; Y138-D140 VanDerWaalsContact OH-CB 3.3Å; Y138-D140 WeakPolarHBondContact OH-CB 3.02Å; Y138-D140 PolarHBondContact OH-OD2 3.17Å; Y138-Y299 WeakPolarHBondContact CA-O 3.28Å
139	V	98.2	Very high	88.1	Confident	15 Å²	15	73.3 Å²	73.3	9%	0.091	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	135.8	170.7	173.4	0	0	0	0	108.2	P136 V256 Y257 G298 Y299	P136-V139 HydrophobicContact CG-CG2 3.74Å; V139-V256 HydrophobicContact CG1-CG1 4.33Å; V139-Y257 HydrophobicContact CG2-CD2 3.77Å; V139-Y257 HydrophobicContact CG2-CG 4.49Å; V139-G298 CarbonylContact O-C 3.57Å; V139-G298 WeakPolarHBondContact O-CA 3.24Å; V139-Y299 HydrophobicContact CB-CD1 4.19Å; V139-Y299 HydrophobicContact CB-CE1 3.83Å; V139-Y299 HydrophobicContact CB-CE2 4.35Å; V139-Y299 HydrophobicContact CG2-CE1 3.69Å; V139-Y299 HydrophobicContact CG2-CE2 4.02Å; V139-Y299 WeakPolarHBondContact CG2-OH 3.44Å; V139-Y299 PolarHBondContact N-O 3.23Å; V139-Y299 PolarHBondContact O-N 3.45Å; V139-Y299 VanDerWaalsContact O-O 3.13Å
140	D	98.4	Very high	89.7	Confident	8 Å²	8	73 Å²	73	4%	0.043	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.4	103.6	172.2	-176.2	-7.5	0	0	0	110	Y138 R142 N143 L309	Y138-D140 HydrophobicContact CE1-CB 3.83Å; Y138-D140 VanDerWaalsContact OH-CB 3.3Å; Y138-D140 WeakPolarHBondContact OH-CB 3.02Å; Y138-D140 PolarHBondContact OH-OD2 3.17Å; D140-R142 PolarHBondContact O-N 3.3Å; D140-R142 WeakPolarHBondContact OD1-CB 3.18Å; D140-R142 WeakPolarHBondContact OD1-CG 3.34Å; D140-R142 IonicContact OD1-CZ 3.81Å; D140-R142 PolarHBondContact OD1-N 2.94Å; D140-R142 IonicContact OD1-NE 2.68Å; D140-R142 PolarHBondContact OD1-NE 3.32Å; D140-R142 IonicContact OD1-NH2 3.08Å; D140-R142 IonicContact OD2-CZ 3.1Å; D140-R142 VanDerWaalsContact OD2-CZ 3.3Å; D140-R142 IonicContact OD2-NE 2.91Å; D140-R142 PolarHBondContact OD2-NE 3.34Å; D140-R142 VanDerWaalsContact OD2-NE 3.08Å; D140-R142 IonicContact OD2-NH2 2.61Å; D140-R142 PolarHBondContact OD2-NH2 3.17Å; D140-N143 WeakPolarHBondContact O-CB 3.21Å; D140-N143 PolarHBondContact O-N 2.74Å; D140-N143 VanDerWaalsContact O-N 3.07Å; D140-L309 HydrophobicContact CB-CD2 4.38Å
141	W	98.2	Very high	91.3	Very high	35 Å²	35	68.9 Å²	68.9	13%	0.133	36%	0.355	C	S	.	.	G	3₁₀ helix	trans	-67.7	-12.7	-176.9	-77.9	114.1	0	0	0	114.1	N143 N144 T146 V147 I174 V256 P261 V297	W141-N143 PolarHBondContact O-N 3.28Å; W141-N144 HydrophobicContact CE3-CB 4.08Å; W141-N144 HydrophobicContact CZ3-CB 4.42Å; W141-N144 PolarHBondContact O-N 2.56Å; W141-T146 WeakPolarHBondContact CB-OG1 3.2Å; W141-T146 HydrophobicContact CE3-CG2 4.09Å; W141-T146 PolarHBondContact O-N 3.1Å; W141-T146 PolarHBondContact O-OG1 2.77Å; W141-V147 HydrophobicContact CB-CG2 4.12Å; W141-I174 HydrophobicContact CE3-CD1 4.4Å; W141-I174 HydrophobicContact CH2-CD1 4.22Å; W141-I174 HydrophobicContact CZ3-CD1 4Å; W141-I174 HydrophobicContact CZ3-CG1 4.37Å; W141-V256 WeakPolarHBondContact CZ2-O 3.26Å; W141-V256 PolarHBondContact NE1-O 2.67Å; W141-P261 HydrophobicContact CB-CG 3.94Å; W141-P261 HydrophobicContact CG-CG 4.08Å; W141-V297 HydrophobicContact CB-CB 4.47Å; W141-V297 VanDerWaalsContact CB-O 3.27Å; W141-V297 WeakPolarHBondContact CB-O 3.47Å; W141-V297 PolarHBondContact N-O 2.89Å
142	R	97.3	Very high	92.7	Very high	86 Å²	86	65.2 Å²	65.2	33%	0.325	34%	0.337	S	S	.	.	G	3₁₀ helix	trans	-64.7	-31.6	170.6	-56.1	175.6	-61.8	177.7	4	111.2	D140 N144 D145 V147 V297 Y323	D140-R142 PolarHBondContact O-N 3.3Å; D140-R142 WeakPolarHBondContact OD1-CB 3.18Å; D140-R142 WeakPolarHBondContact OD1-CG 3.34Å; D140-R142 IonicContact OD1-CZ 3.81Å; D140-R142 PolarHBondContact OD1-N 2.94Å; D140-R142 IonicContact OD1-NE 2.68Å; D140-R142 PolarHBondContact OD1-NE 3.32Å; D140-R142 IonicContact OD1-NH2 3.08Å; D140-R142 IonicContact OD2-CZ 3.1Å; D140-R142 VanDerWaalsContact OD2-CZ 3.3Å; D140-R142 IonicContact OD2-NE 2.91Å; D140-R142 PolarHBondContact OD2-NE 3.34Å; D140-R142 VanDerWaalsContact OD2-NE 3.08Å; D140-R142 IonicContact OD2-NH2 2.61Å; D140-R142 PolarHBondContact OD2-NH2 3.17Å; R142-N144 PolarHBondContact O-N 2.9Å; R142-N144 VanDerWaalsContact O-N 3.16Å; R142-D145 PolarHBondContact O-N 3.08Å; R142-V147 HydrophobicContact CG-CB 4.2Å; R142-V147 HydrophobicContact CG-CG2 4.06Å; R142-V297 HydrophobicContact CG-CG2 4.47Å; R142-Y323 HydrophobicContact CG-CE1 4.35Å
143	N	96.8	Very high	93.9	Very high	112 Å²	112	61 Å²	61	60%	0.599	32%	0.315	S	S	*	.	G	3₁₀ helix	trans	-69.8	-8.8	178.4	-64.5	-21.9	0	0	0	113.6	D140 W141	D140-N143 WeakPolarHBondContact O-CB 3.21Å; D140-N143 PolarHBondContact O-N 2.74Å; D140-N143 VanDerWaalsContact O-N 3.07Å; W141-N143 PolarHBondContact O-N 3.28Å
144	N	94.1	Very high	94.6	Very high	93 Å²	93	59.3 Å²	59.3	50%	0.497	30%	0.303	S	S	.	.	G	3₁₀ helix	trans	-111.2	11.8	-178.5	-67.7	66.7	0	0	0	112.5	W141 R142 T146	W141-N144 HydrophobicContact CE3-CB 4.08Å; W141-N144 HydrophobicContact CZ3-CB 4.42Å; W141-N144 PolarHBondContact O-N 2.56Å; R142-N144 PolarHBondContact O-N 2.9Å; R142-N144 VanDerWaalsContact O-N 3.16Å; N144-T146 HydrophobicContact CB-CG2 3.96Å; N144-T146 WeakPolarHBondContact O-CG2 3.47Å; N144-T146 PolarHBondContact O-N 2.68Å
145	D	93.2	Very high	94.4	Very high	113 Å²	113	60 Å²	60	60%	0.604	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.8	32	-176.3	-57.2	-42.4	0	0	0	113.4	R142 K173 L179	R142-D145 PolarHBondContact O-N 3.08Å; D145-K173 VanDerWaalsContact O-CE 3.3Å; D145-K173 WeakPolarHBondContact O-CE 3.49Å; D145-K173 WeakPolarHBondContact O-CG 3.34Å; D145-L179 WeakPolarHBondContact O-CD2 3.42Å
146	T	95.1	Very high	94.3	Very high	5 Å²	5	58.2 Å²	58.2	3%	0.031	30%	0.297	C	S	.	.			trans	-98.7	-2	-178.7	63.5	0	0	0	0	113.9	W141 N144 G170 K173 I174	W141-T146 WeakPolarHBondContact CB-OG1 3.2Å; W141-T146 HydrophobicContact CE3-CG2 4.09Å; W141-T146 PolarHBondContact O-N 3.1Å; W141-T146 PolarHBondContact O-OG1 2.77Å; N144-T146 HydrophobicContact CB-CG2 3.96Å; N144-T146 WeakPolarHBondContact O-CG2 3.47Å; N144-T146 PolarHBondContact O-N 2.68Å; T146-G170 VanDerWaalsContact O-CA 3.24Å; T146-G170 WeakPolarHBondContact O-CA 3.27Å; T146-K173 HydrophobicContact CG2-CB 4.31Å; T146-K173 HydrophobicContact CG2-CG 3.78Å; T146-I174 HydrophobicContact CG2-CD1 4.4Å; T146-I174 HydrophobicContact CG2-CG1 3.79Å
147	V	97.5	Very high	93.9	Very high	23 Å²	23	56.3 Å²	56.3	14%	0.139	29%	0.286	C	S	.	.			trans	-117.5	120.7	-175.6	-173.7	0	0	0	0	108.8	W141 R142 P261 V297 K311 Y323	W141-V147 HydrophobicContact CB-CG2 4.12Å; R142-V147 HydrophobicContact CG-CB 4.2Å; R142-V147 HydrophobicContact CG-CG2 4.06Å; V147-P261 HydrophobicContact CG2-CG 4.27Å; V147-V297 HydrophobicContact CG1-CG1 4.13Å; V147-V297 HydrophobicContact CG2-CB 4.12Å; V147-V297 HydrophobicContact CG2-CG1 3.79Å; V147-K311 HydrophobicContact CG1-CD 3.71Å; V147-Y323 WeakPolarHBondContact CG1-OH 3.43Å
148	T	97	Very high	93.7	Very high	4 Å²	4	50.1 Å²	50.1	3%	0.025	26%	0.256	C	S	.	.	P	Polyproline II helix	trans	-70.9	167.4	174.8	55	0	0	0	0	111.9	E169 L179 P181 K311	T148-E169 WeakPolarHBondContact CB-OE2 3.2Å; T148-E169 HydrophobicContact CG2-CB 4.17Å; T148-E169 HydrophobicContact CG2-CG 4.14Å; T148-E169 WeakPolarHBondContact CG2-OE2 3.47Å; T148-E169 PolarHBondContact OG1-OE2 3.33Å; T148-L179 HydrophobicContact CG2-CD1 3.85Å; T148-L179 HydrophobicContact CG2-CD2 3.98Å; T148-L179 HydrophobicContact CG2-CG 3.82Å; T148-P181 HydrophobicContact CG2-CB 4.29Å; T148-P181 HydrophobicContact CG2-CG 3.95Å; T148-K311 WeakPolarHBondContact O-CE 3.33Å; T148-K311 PolarHBondContact O-NZ 2.87Å; T148-K311 PolarHBondContact OG1-NZ 3.37Å
149	P	96.2	Very high	93.6	Very high	89 Å²	89	44.6 Å²	44.6	58%	0.578	24%	0.235	S	C	*	.	P	Polyproline II helix	trans	-53.6	157.8	172.1	-27.3	36.4	0	0	0	113.3	K151 K311	P149-K151 PolarHBondContact O-N 2.92Å; P149-K311 PolarHBondContact O-NZ 2.76Å
150	V	96.8	Very high	93.4	Very high	19 Å²	19	44 Å²	44	12%	0.115	23%	0.231	C	C	.	.	P	Polyproline II helix	trans	-72	125	-175.5	175.2	0	0	0	0	110.5	K311 F312 E316 Y323	V150-K311 HydrophobicContact CG2-CG 4.21Å; V150-F312 WeakPolarHBondContact CG1-O 3.29Å; V150-E316 HydrophobicContact CB-CG 3.77Å; V150-E316 HydrophobicContact CG2-CG 4.32Å; V150-Y323 HydrophobicContact CG2-CD2 4.46Å; V150-Y323 HydrophobicContact CG2-CE2 3.78Å
151	K	95.4	Very high	93.3	Very high	26 Å²	26	43.6 Å²	43.6	11%	0.113	23%	0.229	C	C	.	.	P	Polyproline II helix	trans	-84.5	161	174.6	-64.6	175.8	-173.6	-82.2	0	110.3	P149 I162 E166 E169 L182 Q216 N313 L314 G315	P149-K151 PolarHBondContact O-N 2.92Å; K151-I162 HydrophobicContact CB-CD1 4.43Å; K151-I162 HydrophobicContact CB-CG2 4.1Å; K151-I162 HydrophobicContact CD-CG1 4.5Å; K151-I162 HydrophobicContact CD-CG2 4.09Å; K151-E166 HydrophobicContact CD-CG 4.33Å; K151-E169 IonicContact NZ-OE1 2.71Å; K151-L182 PolarHBondContact NZ-O 2.79Å; K151-L182 VanDerWaalsContact NZ-O 3.12Å; K151-Q216 VanDerWaalsContact NZ-OE1 3.11Å; K151-N313 CarbonylContact O-C 3.35Å; K151-N313 VanDerWaalsContact O-CA 3.28Å; K151-N313 WeakPolarHBondContact O-CA 3.03Å; K151-L314 PolarHBondContact O-N 3.15Å; K151-G315 PolarHBondContact O-N 3.48Å
152	T	93.1	Very high	93.2	Very high	47 Å²	47	42 Å²	42	29%	0.288	22%	0.223	S	C	.	.	B	Isolated β-bridge	trans	-120.6	133.4	169.7	176.1	0	0	0	0	109.2	E154 F221 N313	T152-E154 VanDerWaalsContact C-N 3.25Å; T152-E154 HydrophobicContact CG2-CG 3.83Å; T152-E154 PolarHBondContact OG1-N 2.61Å; T152-F221 VanDerWaalsContact O-CE1 3.25Å; T152-F221 WeakPolarHBondContact O-CE1 3.34Å; T152-N313 CarbonylContact C-O 3.46Å; T152-N313 VanDerWaalsContact CA-O 3.3Å; T152-N313 WeakPolarHBondContact CA-O 3.42Å
153	Q	89.9	Confident	93.2	Very high	8 Å²	8	37.9 Å²	37.9	4%	0.037	21%	0.207	C	C	.	.			trans	-78.9	-11.9	173.2	68.3	177.8	-54	0	0	113	D155 C156 S158 I162 E292 N313 L314	Q153-D155 PolarHBondContact O-N 3.29Å; Q153-C156 PolarHBondContact O-N 2.85Å; Q153-C156 VanDerWaalsContact O-N 3.15Å; Q153-C156 PolarHBondContact OE1-O 3.07Å; Q153-S158 WeakPolarHBondContact CB-OG 3.29Å; Q153-I162 HydrophobicContact CB-CD1 3.76Å; Q153-E292 PolarHBondContact NE2-OE1 2.82Å; Q153-N313 PolarHBondContact N-O 2.97Å; Q153-N313 PolarHBondContact NE2-ND2 3.43Å; Q153-N313 PolarHBondContact NE2-OD1 3.05Å; Q153-L314 HydrophobicContact CG-CD2 4.46Å
154	E	85	Confident	93.3	Very high	99 Å²	99	32.5 Å²	32.5	46%	0.463	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	52.1	-129.4	-175.4	-56.3	-179.4	178.9	0	0	111.2	K107 T152 F221	K107-E154 PolarHBondContact NZ-O 3.16Å; T152-E154 VanDerWaalsContact C-N 3.25Å; T152-E154 HydrophobicContact CG2-CG 3.83Å; T152-E154 PolarHBondContact OG1-N 2.61Å; E154-F221 HydrophobicContact CG-CE1 4.24Å
155	D	81.6	Confident	93.5	Very high	144 Å²	144	28.1 Å²	28.1	77%	0.77	16%	0.155	S	C	*	.	T	Hydrogen-bonded Turn	trans	-90.5	-6.4	178.1	-72.7	-36	0	0	0	114	K107 Q153	K107-D155 IonicContact NZ-OD1 3.92Å; Q153-D155 PolarHBondContact O-N 3.29Å
156	C	86.4	Confident	93.7	Very high	2 Å²	2	23 Å²	23	1%	0.014	13%	0.127	C	C	.	.	S	Bend	trans	-87.4	126.2	178.2	-170.8	0	0	0	0	111.2	Q153 S158 C196 G223	Q153-C156 PolarHBondContact O-N 2.85Å; Q153-C156 VanDerWaalsContact O-N 3.15Å; Q153-C156 PolarHBondContact OE1-O 3.07Å; C156-S158 PolarHBondContact O-N 3.41Å; C156-S158 PolarHBondContact O-OG 3.39Å; C156-C196 HydrophobicContact CB-CB 3.95Å; C156-C196 WeakPolarHBondContact CB-SG 3.33Å; C156-C196 VanDerWaalsContact SG-CA 3.59Å; C156-C196 WeakPolarHBondContact SG-CB 3.47Å; C156-C196 CovalentContact SG-SG 2.04Å; C156-C196 PolarHBondContact SG-SG 2.72Å; C156-G223 WeakPolarHBondContact CB-O 3.3Å
157	A	87.6	Confident	93.9	Very high	8 Å²	8	22.7 Å²	22.7	7%	0.066	13%	0.126	C	C	.	.			trans	-71	76.3	172.9	0	0	0	0	0	110.8	N111 V197 E198	N111-A157 WeakPolarHBondContact ND2-CB 3.37Å; A157-V197 CarbonylContact O-C 3.54Å; A157-E198 HydrophobicContact CB-CG 4.2Å
158	S	92.5	Very high	93.9	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	12%	0.119	C	C	.	.			trans	-119.2	14.7	-170.9	58.7	0	0	0	0	112.2	Q153 C156 W160 A161 I162	Q153-S158 WeakPolarHBondContact CB-OG 3.29Å; C156-S158 PolarHBondContact O-N 3.41Å; C156-S158 PolarHBondContact O-OG 3.39Å; S158-W160 PolarHBondContact O-N 2.73Å; S158-A161 WeakPolarHBondContact O-CB 3.36Å; S158-A161 PolarHBondContact O-N 3.46Å; S158-I162 PolarHBondContact O-N 2.95Å
159	S	94.5	Very high	94	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-54.6	-42.1	-177.8	74.4	0	0	0	0	112.3	A161 I162 A163 E198 E292 S293 N313	S159-A161 PolarHBondContact O-N 3.33Å; S159-I162 PolarHBondContact O-N 2.9Å; S159-A163 WeakPolarHBondContact O-CB 3.23Å; S159-A163 PolarHBondContact O-N 3.05Å; S159-E198 WeakPolarHBondContact CB-OE1 3.24Å; S159-E198 PolarHBondContact OG-OE1 3.28Å; S159-E198 PolarHBondContact OG-OE2 3.41Å; S159-E292 WeakPolarHBondContact CB-OE1 3.21Å; S159-S293 WeakPolarHBondContact CB-O 3.43Å; S159-S293 PolarHBondContact OG-N 3.47Å; S159-N313 VanDerWaalsContact CA-ND2 3.31Å; S159-N313 WeakPolarHBondContact CA-ND2 3.37Å; S159-N313 WeakPolarHBondContact CB-ND2 3.47Å
160	W	94.3	Very high	94.1	Very high	2 Å²	2	17.3 Å²	17.3	1%	0.008	9%	0.091	C	C	.	.	H	α-helix	trans	-58.3	-43.6	176.1	67.8	-85.9	0	0	0	113	S158 S164 L187 A191 V197 N199 V203 A204	S158-W160 PolarHBondContact O-N 2.73Å; W160-S164 VanDerWaalsContact O-CB 3.29Å; W160-S164 WeakPolarHBondContact O-CB 3.38Å; W160-S164 PolarHBondContact O-N 2.03Å; W160-S164 VanDerWaalsContact O-N 3.12Å; W160-S164 PolarHBondContact O-OG 2.84Å; W160-L187 HydrophobicContact CH2-CB 4.06Å; W160-L187 WeakPolarHBondContact CH2-O 3.38Å; W160-L187 HydrophobicContact CZ3-CB 4.19Å; W160-A191 HydrophobicContact CH2-CB 4.12Å; W160-A191 HydrophobicContact CZ3-CB 4.5Å; W160-V197 PolarHBondContact NE1-O 3.3Å; W160-N199 WeakPolarHBondContact CB-O 3Å; W160-N199 VanDerWaalsContact CD1-N 3.29Å; W160-N199 HydrophobicContact CD2-CB 3.56Å; W160-N199 HydrophobicContact CE3-CB 3.86Å; W160-N199 HydrophobicContact CG-CB 3.87Å; W160-N199 HydrophobicContact CH2-CB 4.4Å; W160-N199 HydrophobicContact CZ2-CB 4.14Å; W160-N199 HydrophobicContact CZ3-CB 4.27Å; W160-V203 HydrophobicContact CZ3-CG1 4.35Å; W160-A204 HydrophobicContact CE3-CB 3.81Å; W160-A204 HydrophobicContact CZ3-CB 3.69Å
161	A	95.8	Very high	94.1	Very high	0 Å²	0	17.5 Å²	17.5	0%	0	9%	0.091	C	C	.	.	H	α-helix	trans	-67.8	-44.9	179	0	0	0	0	0	110.3	S158 S159 S164 V165 L187 V188	S158-A161 WeakPolarHBondContact O-CB 3.36Å; S158-A161 PolarHBondContact O-N 3.46Å; S159-A161 PolarHBondContact O-N 3.33Å; A161-S164 PolarHBondContact O-N 2.65Å; A161-V165 WeakPolarHBondContact O-CG2 3.44Å; A161-V165 PolarHBondContact O-N 2.88Å; A161-V165 VanDerWaalsContact O-N 3.08Å; A161-L187 HydrophobicContact CB-CB 3.77Å; A161-L187 HydrophobicContact CB-CD1 3.97Å; A161-V188 HydrophobicContact CB-CG2 4.11Å
162	I	97.2	Very high	94.2	Very high	1 Å²	1	16.9 Å²	16.9	1%	0.005	9%	0.089	C	C	.	.	H	α-helix	trans	-60.6	-55.8	177.9	-69.8	170.7	0	0	0	110.9	K151 Q153 S158 S159 S164 V165 E166 N313	K151-I162 HydrophobicContact CB-CD1 4.43Å; K151-I162 HydrophobicContact CB-CG2 4.1Å; K151-I162 HydrophobicContact CD-CG1 4.5Å; K151-I162 HydrophobicContact CD-CG2 4.09Å; Q153-I162 HydrophobicContact CB-CD1 3.76Å; S158-I162 PolarHBondContact O-N 2.95Å; S159-I162 PolarHBondContact O-N 2.9Å; I162-S164 PolarHBondContact O-N 2.96Å; I162-V165 WeakPolarHBondContact O-CG2 3.47Å; I162-V165 PolarHBondContact O-N 3.14Å; I162-E166 HydrophobicContact CG2-CG 4.22Å; I162-E166 VanDerWaalsContact O-CG 3.27Å; I162-E166 WeakPolarHBondContact O-CG 3.43Å; I162-E166 PolarHBondContact O-N 3.06Å; I162-N313 HydrophobicContact CD1-CB 4.14Å; I162-N313 HydrophobicContact CG2-CB 3.85Å
163	A	98.1	Very high	94.4	Very high	0 Å²	0	17 Å²	17	0%	0	9%	0.086	C	C	.	.	H	α-helix	trans	-60.2	-35.1	-178.6	0	0	0	0	0	112.2	S159 A167 A263	S159-A163 WeakPolarHBondContact O-CB 3.23Å; S159-A163 PolarHBondContact O-N 3.05Å; A163-A167 WeakPolarHBondContact O-CB 3.49Å; A163-A167 PolarHBondContact O-N 3.15Å; A163-A263 HydrophobicContact CB-CB 4.11Å
164	S	97.7	Very high	94.7	Very high	0 Å²	0	20.3 Å²	20.3	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-65.4	-48.4	177.2	-58.4	0	0	0	0	112.3	W160 A161 I162 L168 V201 A204 F205	W160-S164 VanDerWaalsContact O-CB 3.29Å; W160-S164 WeakPolarHBondContact O-CB 3.38Å; W160-S164 PolarHBondContact O-N 2.03Å; W160-S164 VanDerWaalsContact O-N 3.12Å; W160-S164 PolarHBondContact O-OG 2.84Å; A161-S164 PolarHBondContact O-N 2.65Å; I162-S164 PolarHBondContact O-N 2.96Å; S164-L168 PolarHBondContact O-N 2.83Å; S164-L168 VanDerWaalsContact O-N 3.12Å; S164-V201 WeakPolarHBondContact OG-CG1 3.04Å; S164-A204 VanDerWaalsContact CB-CB 3.43Å; S164-A204 WeakPolarHBondContact OG-CB 3.43Å; S164-F205 WeakPolarHBondContact O-CE1 3.29Å
165	V	98.3	Very high	95.2	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	11%	0.108	C	C	.	.	H	α-helix	trans	-68.5	-37.2	178.7	-63.5	0	0	0	0	111.5	A161 I162 L168 E169 L182 L187	A161-V165 WeakPolarHBondContact O-CG2 3.44Å; A161-V165 PolarHBondContact O-N 2.88Å; A161-V165 VanDerWaalsContact O-N 3.08Å; I162-V165 WeakPolarHBondContact O-CG2 3.47Å; I162-V165 PolarHBondContact O-N 3.14Å; V165-L168 CarbonylContact O-C 3.57Å; V165-L168 WeakPolarHBondContact O-CB 3.05Å; V165-L168 PolarHBondContact O-N 3.14Å; V165-E169 WeakPolarHBondContact O-CB 3.46Å; V165-E169 WeakPolarHBondContact O-CG 3.31Å; V165-E169 PolarHBondContact O-N 3.48Å; V165-L182 HydrophobicContact CB-CB 3.95Å; V165-L182 HydrophobicContact CG1-CB 4.23Å; V165-L187 HydrophobicContact CG1-CD1 3.58Å; V165-L187 HydrophobicContact CG1-CG 4.39Å
166	E	98.6	Very high	95.8	Very high	5 Å²	5	18.9 Å²	18.9	2%	0.023	10%	0.095	C	C	.	.	H	α-helix	trans	-68.9	-36.2	179.4	-65	179.8	143.5	0	0	112.7	K151 I162 L168 E169 G170 L295 K311	K151-E166 HydrophobicContact CD-CG 4.33Å; I162-E166 HydrophobicContact CG2-CG 4.22Å; I162-E166 VanDerWaalsContact O-CG 3.27Å; I162-E166 WeakPolarHBondContact O-CG 3.43Å; I162-E166 PolarHBondContact O-N 3.06Å; E166-L168 VanDerWaalsContact C-N 3.33Å; E166-E169 WeakPolarHBondContact CA-OE2 3.46Å; E166-E169 PolarHBondContact O-N 3Å; E166-G170 PolarHBondContact O-N 2.82Å; E166-L295 HydrophobicContact CB-CD1 4.31Å; E166-L295 HydrophobicContact CB-CD2 3.74Å; E166-L295 HydrophobicContact CB-CG 4.48Å; E166-K311 VanDerWaalsContact OE1-CE 3.28Å; E166-K311 WeakPolarHBondContact OE1-CE 2.98Å; E166-K311 IonicContact OE1-NZ 2.63Å; E166-K311 PolarHBondContact OE1-NZ 3.22Å
167	A	98.5	Very high	96.3	Very high	0 Å²	0	21 Å²	21	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-62.8	-43	170.4	0	0	0	0	0	110.9	A163 G170 Q171 F205 A263 L295	A163-A167 WeakPolarHBondContact O-CB 3.49Å; A163-A167 PolarHBondContact O-N 3.15Å; A167-G170 PolarHBondContact O-N 3.04Å; A167-Q171 WeakPolarHBondContact O-CG 3.16Å; A167-Q171 PolarHBondContact O-N 3.24Å; A167-Q171 VanDerWaalsContact O-N 3.14Å; A167-F205 HydrophobicContact CB-CZ 4.47Å; A167-A263 HydrophobicContact CB-CB 4.01Å; A167-L295 HydrophobicContact CB-CD1 3.83Å
168	L	98.5	Very high	96.7	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-65.7	-41.6	177.6	-178.8	54.4	0	0	0	112.9	S164 V165 E166 G170 Q171 V172 L182 I208 V213 T237 I239 P343 I345	S164-L168 PolarHBondContact O-N 2.83Å; S164-L168 VanDerWaalsContact O-N 3.12Å; V165-L168 CarbonylContact O-C 3.57Å; V165-L168 WeakPolarHBondContact O-CB 3.05Å; V165-L168 PolarHBondContact O-N 3.14Å; E166-L168 VanDerWaalsContact C-N 3.33Å; L168-G170 VanDerWaalsContact C-N 3.29Å; L168-G170 PolarHBondContact O-N 3.2Å; L168-Q171 PolarHBondContact O-N 3.31Å; L168-Q171 VanDerWaalsContact O-N 3.15Å; L168-V172 HydrophobicContact CD1-CG2 4.01Å; L168-V172 HydrophobicContact CG-CG2 4.23Å; L168-V172 VanDerWaalsContact O-CG2 3.29Å; L168-V172 WeakPolarHBondContact O-CG2 3.48Å; L168-V172 PolarHBondContact O-N 2.85Å; L168-L182 HydrophobicContact CB-CD1 4.07Å; L168-L182 HydrophobicContact CD2-CD1 3.73Å; L168-L182 HydrophobicContact CG-CD1 3.67Å; L168-I208 HydrophobicContact CD2-CD1 4.04Å; L168-I208 HydrophobicContact CD2-CG2 3.84Å; L168-V213 HydrophobicContact CD2-CG1 3.93Å; L168-T237 HydrophobicContact CD1-CG2 4.45Å; L168-T237 HydrophobicContact CD2-CG2 3.87Å; L168-T237 HydrophobicContact CG-CG2 4.15Å; L168-I239 HydrophobicContact CD1-CG2 3.47Å; L168-I239 VanDerWaalsContact CD1-CG2 3.47Å; L168-I239 HydrophobicContact CD2-CG2 3.98Å; L168-I239 HydrophobicContact CG-CG2 4.37Å; L168-P343 HydrophobicContact CB-CG 3.89Å; L168-P343 HydrophobicContact CD1-CB 4.11Å; L168-P343 HydrophobicContact CD1-CG 3.93Å; L168-I345 HydrophobicContact CD1-CD1 4.29Å; L168-I345 HydrophobicContact CD1-CG1 4.01Å
169	E	98.5	Very high	96.9	Very high	2 Å²	2	26.9 Å²	26.9	1%	0.009	15%	0.15	C	C	.	.	H	α-helix	trans	-53.9	-47.5	175.2	-74.2	163.6	179.3	0	0	111.1	T148 K151 V165 E166 V172 K173 L179 P181 L182	T148-E169 WeakPolarHBondContact CB-OE2 3.2Å; T148-E169 HydrophobicContact CG2-CB 4.17Å; T148-E169 HydrophobicContact CG2-CG 4.14Å; T148-E169 WeakPolarHBondContact CG2-OE2 3.47Å; T148-E169 PolarHBondContact OG1-OE2 3.33Å; K151-E169 IonicContact NZ-OE1 2.71Å; V165-E169 WeakPolarHBondContact O-CB 3.46Å; V165-E169 WeakPolarHBondContact O-CG 3.31Å; V165-E169 PolarHBondContact O-N 3.48Å; E166-E169 WeakPolarHBondContact CA-OE2 3.46Å; E166-E169 PolarHBondContact O-N 3Å; E169-V172 PolarHBondContact O-N 2.99Å; E169-K173 PolarHBondContact O-N 2.67Å; E169-L179 HydrophobicContact CB-CD1 4.47Å; E169-P181 WeakPolarHBondContact OE1-CA 3.41Å; E169-L182 HydrophobicContact CG-CB 4.1Å; E169-L182 HydrophobicContact CG-CD1 3.92Å; E169-L182 HydrophobicContact CG-CG 3.74Å; E169-L182 PolarHBondContact OE1-N 3.34Å
170	G	97.9	Very high	97	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-60.6	-45.7	175.8	0	0	0	0	0	112.6	T146 E166 A167 L168 V172 K173 I174	T146-G170 VanDerWaalsContact O-CA 3.24Å; T146-G170 WeakPolarHBondContact O-CA 3.27Å; E166-G170 PolarHBondContact O-N 2.82Å; A167-G170 PolarHBondContact O-N 3.04Å; L168-G170 VanDerWaalsContact C-N 3.29Å; L168-G170 PolarHBondContact O-N 3.2Å; G170-V172 VanDerWaalsContact C-N 3.34Å; G170-V172 PolarHBondContact O-N 2.66Å; G170-K173 PolarHBondContact O-N 2.97Å; G170-I174 VanDerWaalsContact O-CG1 3.26Å; G170-I174 WeakPolarHBondContact O-CG1 3.33Å; G170-I174 PolarHBondContact O-N 3.25Å
171	Q	97.3	Very high	97.2	Very high	23 Å²	23	31.2 Å²	31.2	11%	0.107	18%	0.178	C	C	.	.	H	α-helix	trans	-62.8	-39.8	176.5	-64.6	-53.7	-55.9	0	0	112.4	A167 L168 I174 K175 I259 P343 I345	A167-Q171 WeakPolarHBondContact O-CG 3.16Å; A167-Q171 PolarHBondContact O-N 3.24Å; A167-Q171 VanDerWaalsContact O-N 3.14Å; L168-Q171 PolarHBondContact O-N 3.31Å; L168-Q171 VanDerWaalsContact O-N 3.15Å; Q171-I174 PolarHBondContact O-N 3.21Å; Q171-K175 WeakPolarHBondContact O-CB 3.05Å; Q171-K175 PolarHBondContact O-N 3.3Å; Q171-I259 PolarHBondContact NE2-O 3.03Å; Q171-P343 HydrophobicContact CB-CG 4.49Å; Q171-P343 HydrophobicContact CG-CG 3.96Å; Q171-I345 HydrophobicContact CB-CD1 3.8Å; Q171-I345 HydrophobicContact CB-CG1 4.16Å; Q171-I345 WeakPolarHBondContact O-CD1 3.41Å
172	V	97.3	Very high	97.3	Very high	14 Å²	14	31.2 Å²	31.2	9%	0.085	18%	0.178	C	C	.	.	H	α-helix	trans	-65	-44.8	179.2	171.4	0	0	0	0	109.8	L168 E169 G170 I174 K175 T176 T237 I345	L168-V172 HydrophobicContact CD1-CG2 4.01Å; L168-V172 HydrophobicContact CG-CG2 4.23Å; L168-V172 VanDerWaalsContact O-CG2 3.29Å; L168-V172 WeakPolarHBondContact O-CG2 3.48Å; L168-V172 PolarHBondContact O-N 2.85Å; E169-V172 PolarHBondContact O-N 2.99Å; G170-V172 VanDerWaalsContact C-N 3.34Å; G170-V172 PolarHBondContact O-N 2.66Å; V172-I174 PolarHBondContact O-N 3.11Å; V172-K175 PolarHBondContact O-N 2.91Å; V172-T176 HydrophobicContact CG1-CG2 4.3Å; V172-T176 WeakPolarHBondContact O-CB 3.33Å; V172-T176 WeakPolarHBondContact O-CG2 3.48Å; V172-T176 PolarHBondContact O-N 2.84Å; V172-T176 PolarHBondContact O-OG1 3.48Å; V172-T237 HydrophobicContact CG2-CG2 3.88Å; V172-I345 HydrophobicContact CB-CD1 4Å; V172-I345 HydrophobicContact CG2-CD1 3.48Å; V172-I345 VanDerWaalsContact CG2-CD1 3.48Å; V172-I345 VanDerWaalsContact N-CD1 3.26Å
173	K	97.7	Very high	97.4	Very high	49 Å²	49	31.2 Å²	31.2	21%	0.213	18%	0.178	C	C	.	.	H	α-helix	trans	-60.2	-46.2	175.7	175.3	62.7	167.7	-167.7	0	111.8	D145 T146 E169 G170 K175 G177 T178 L179	D145-K173 VanDerWaalsContact O-CE 3.3Å; D145-K173 WeakPolarHBondContact O-CE 3.49Å; D145-K173 WeakPolarHBondContact O-CG 3.34Å; T146-K173 HydrophobicContact CG2-CB 4.31Å; T146-K173 HydrophobicContact CG2-CG 3.78Å; E169-K173 PolarHBondContact O-N 2.67Å; G170-K173 PolarHBondContact O-N 2.97Å; K173-K175 VanDerWaalsContact C-N 3.3Å; K173-K175 PolarHBondContact O-N 2.95Å; K173-G177 VanDerWaalsContact CD-C 3.5Å; K173-G177 VanDerWaalsContact CD-O 3.27Å; K173-G177 WeakPolarHBondContact CD-O 3.37Å; K173-G177 WeakPolarHBondContact CE-O 3.49Å; K173-G177 PolarHBondContact NZ-O 3.17Å; K173-G177 VanDerWaalsContact O-CA 3.28Å; K173-G177 WeakPolarHBondContact O-CA 3.47Å; K173-G177 PolarHBondContact O-N 3.37Å; K173-T178 WeakPolarHBondContact CA-O 3.47Å; K173-L179 HydrophobicContact CB-CB 4.42Å; K173-L179 HydrophobicContact CB-CD1 3.88Å; K173-L179 HydrophobicContact CD-CB 4Å; K173-L179 HydrophobicContact CG-CB 4.42Å; K173-L179 HydrophobicContact CG-CD1 4.37Å
174	I	95.7	Very high	97.3	Very high	78 Å²	78	31.2 Å²	31.2	40%	0.4	18%	0.178	S	C	.	.	H	α-helix	trans	-60.3	-41.5	179.4	-70.2	166.5	0	0	0	110.8	W141 T146 G170 Q171 V172 I259	W141-I174 HydrophobicContact CE3-CD1 4.4Å; W141-I174 HydrophobicContact CH2-CD1 4.22Å; W141-I174 HydrophobicContact CZ3-CD1 4Å; W141-I174 HydrophobicContact CZ3-CG1 4.37Å; T146-I174 HydrophobicContact CG2-CD1 4.4Å; T146-I174 HydrophobicContact CG2-CG1 3.79Å; G170-I174 VanDerWaalsContact O-CG1 3.26Å; G170-I174 WeakPolarHBondContact O-CG1 3.33Å; G170-I174 PolarHBondContact O-N 3.25Å; Q171-I174 PolarHBondContact O-N 3.21Å; V172-I174 PolarHBondContact O-N 3.11Å; I174-I259 VanDerWaalsContact CD1-O 3.3Å; I174-I259 WeakPolarHBondContact CD1-O 3.25Å
175	K	94.3	Very high	97.2	Very high	132 Å²	132	31.2 Å²	31.2	57%	0.574	18%	0.178	S	C	*	.	H	α-helix	trans	-81.1	-34.2	-176.7	-169.5	174	-177.7	-177	0	114.2	Q171 V172 K173 I345	Q171-K175 WeakPolarHBondContact O-CB 3.05Å; Q171-K175 PolarHBondContact O-N 3.3Å; V172-K175 PolarHBondContact O-N 2.91Å; K173-K175 VanDerWaalsContact C-N 3.3Å; K173-K175 PolarHBondContact O-N 2.95Å; K175-I345 HydrophobicContact CB-CD1 4.32Å; K175-I345 HydrophobicContact CD-CB 3.66Å; K175-I345 HydrophobicContact CD-CD1 4.33Å; K175-I345 HydrophobicContact CD-CG2 3.67Å; K175-I345 VanDerWaalsContact NZ-C 3.29Å; K175-I345 PolarHBondContact NZ-O 3.08Å
176	T	95.6	Very high	97.2	Very high	81 Å²	81	31.2 Å²	31.2	50%	0.497	18%	0.178	S	C	.	.	H	α-helix	trans	-115.7	-18.7	-168.3	71.7	0	0	0	0	114.4	V172 T178	V172-T176 HydrophobicContact CG1-CG2 4.3Å; V172-T176 WeakPolarHBondContact O-CB 3.33Å; V172-T176 WeakPolarHBondContact O-CG2 3.48Å; V172-T176 PolarHBondContact O-N 2.84Å; V172-T176 PolarHBondContact O-OG1 3.48Å; T176-T178 PolarHBondContact O-N 3.48Å; T176-T178 PolarHBondContact OG1-N 2.76Å
177	G	96	Very high	97	Very high	45 Å²	45	31 Å²	31	46%	0.464	18%	0.177	S	C	.	.	S	Bend	trans	82.1	-7.9	-172.9	0	0	0	0	0	114.5	K173	K173-G177 VanDerWaalsContact CD-C 3.5Å; K173-G177 VanDerWaalsContact CD-O 3.27Å; K173-G177 WeakPolarHBondContact CD-O 3.37Å; K173-G177 WeakPolarHBondContact CE-O 3.49Å; K173-G177 PolarHBondContact NZ-O 3.17Å; K173-G177 VanDerWaalsContact O-CA 3.28Å; K173-G177 WeakPolarHBondContact O-CA 3.47Å; K173-G177 PolarHBondContact O-N 3.37Å
178	T	95.8	Very high	96.8	Very high	80 Å²	80	31.1 Å²	31.1	49%	0.491	18%	0.177	S	C	.	.			trans	-102.4	126.8	179.4	-55.4	0	0	0	0	111	K173 T176	K173-T178 WeakPolarHBondContact CA-O 3.47Å; T176-T178 PolarHBondContact O-N 3.48Å; T176-T178 PolarHBondContact OG1-N 2.76Å
179	L	97.4	Very high	96.7	Very high	53 Å²	53	31.4 Å²	31.4	28%	0.277	18%	0.179	S	C	.	.			trans	-98.3	114.2	172.6	-172	70.6	0	0	0	108.2	D145 T148 E169 K173	D145-L179 WeakPolarHBondContact O-CD2 3.42Å; T148-L179 HydrophobicContact CG2-CD1 3.85Å; T148-L179 HydrophobicContact CG2-CD2 3.98Å; T148-L179 HydrophobicContact CG2-CG 3.82Å; E169-L179 HydrophobicContact CB-CD1 4.47Å; K173-L179 HydrophobicContact CB-CB 4.42Å; K173-L179 HydrophobicContact CB-CD1 3.88Å; K173-L179 HydrophobicContact CD-CB 4Å; K173-L179 HydrophobicContact CG-CB 4.42Å; K173-L179 HydrophobicContact CG-CD1 4.37Å
180	T	97	Very high	96.5	Very high	41 Å²	41	31.9 Å²	31.9	25%	0.252	18%	0.182	S	C	.	.			trans	-125.8	114.7	178.6	-59.2	0	0	0	0	108.6	L182 V236	T180-L182 PolarHBondContact O-N 3.12Å; T180-V236 HydrophobicContact CG2-CG1 4.03Å; T180-V236 HydrophobicContact CG2-CG2 4.38Å
181	P	98.2	Very high	96.1	Very high	51 Å²	51	32.1 Å²	32.1	33%	0.331	18%	0.184	S	C	.	.			trans	-57.1	128.7	171.5	-24	34.1	0	0	0	110.9	T148 E169 S215 Q216	T148-P181 HydrophobicContact CG2-CB 4.29Å; T148-P181 HydrophobicContact CG2-CG 3.95Å; E169-P181 WeakPolarHBondContact OE1-CA 3.41Å; P181-S215 CarbonylContact O-C 3.14Å; P181-S215 WeakPolarHBondContact O-CA 3.38Å; P181-Q216 HydrophobicContact CB-CB 3.89Å; P181-Q216 PolarHBondContact O-N 2.67Å
182	L	98.5	Very high	95	Very high	1 Å²	1	32.5 Å²	32.5	1%	0.005	19%	0.194	C	C	.	.	B	Isolated β-bridge	trans	-102.5	157.3	-176.2	-62.7	177.9	0	0	0	110.5	K151 V165 L168 E169 T180 S184 V213 Q216 V236 T237	K151-L182 PolarHBondContact NZ-O 2.79Å; K151-L182 VanDerWaalsContact NZ-O 3.12Å; V165-L182 HydrophobicContact CB-CB 3.95Å; V165-L182 HydrophobicContact CG1-CB 4.23Å; L168-L182 HydrophobicContact CB-CD1 4.07Å; L168-L182 HydrophobicContact CD2-CD1 3.73Å; L168-L182 HydrophobicContact CG-CD1 3.67Å; E169-L182 HydrophobicContact CG-CB 4.1Å; E169-L182 HydrophobicContact CG-CD1 3.92Å; E169-L182 HydrophobicContact CG-CG 3.74Å; E169-L182 PolarHBondContact OE1-N 3.34Å; T180-L182 PolarHBondContact O-N 3.12Å; L182-S184 PolarHBondContact O-N 3Å; L182-V213 HydrophobicContact CB-CG2 4.33Å; L182-V213 HydrophobicContact CD1-CG1 3.9Å; L182-V213 HydrophobicContact CD2-CG1 4.14Å; L182-V213 HydrophobicContact CG-CG1 4.41Å; L182-Q216 PolarHBondContact O-OE1 3.36Å; L182-V236 HydrophobicContact CD2-CB 3.92Å; L182-V236 HydrophobicContact CD2-CG1 3.79Å; L182-V236 HydrophobicContact CD2-CG2 4.42Å; L182-T237 HydrophobicContact CD1-CG2 3.99Å; L182-T237 HydrophobicContact CD2-CG2 4.28Å
183	S	97.8	Very high	93.9	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	21%	0.212	C	C	.	.			trans	-81.7	106.1	-176.2	-176.3	0	0	0	0	112.3	Q185 Q186 E214 Y219	S183-Q185 VanDerWaalsContact C-N 3.26Å; S183-Q185 PolarHBondContact OG-N 2.83Å; S183-Q186 PolarHBondContact OG-N 3.48Å; S183-E214 PolarHBondContact N-O 3.19Å; S183-Y219 WeakPolarHBondContact CB-O 3.28Å; S183-Y219 WeakPolarHBondContact OG-CB 3.21Å; S183-Y219 PolarHBondContact OG-O 3.14Å
184	S	96.6	Very high	92.9	Very high	1 Å²	1	38.3 Å²	38.3	1%	0.007	22%	0.224	C	C	.	.	H	α-helix	trans	-68.9	-27.8	164.1	53.6	0	0	0	0	111.8	L182 Q186 L187 V188	L182-S184 PolarHBondContact O-N 3Å; S184-Q186 PolarHBondContact O-N 2.9Å; S184-L187 WeakPolarHBondContact O-CB 3.45Å; S184-L187 PolarHBondContact O-N 3.21Å; S184-L187 VanDerWaalsContact O-N 3.14Å; S184-V188 PolarHBondContact O-N 3.39Å; S184-V188 VanDerWaalsContact O-N 3.14Å
185	Q	96.2	Very high	92	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-62.9	-41.4	178.6	-172.5	66.3	55.2	0	0	112.3	S183 L187 V188 D189 Y219 P220 F221 T222 K224	S183-Q185 VanDerWaalsContact C-N 3.26Å; S183-Q185 PolarHBondContact OG-N 2.83Å; Q185-L187 PolarHBondContact O-N 3.48Å; Q185-V188 PolarHBondContact O-N 2.85Å; Q185-D189 VanDerWaalsContact NE2-CG 3.33Å; Q185-D189 PolarHBondContact NE2-OD1 3.12Å; Q185-D189 PolarHBondContact NE2-OD2 2.77Å; Q185-D189 PolarHBondContact O-N 3.24Å; Q185-Y219 HydrophobicContact CB-CD1 3.89Å; Q185-Y219 HydrophobicContact CB-CE1 4.1Å; Q185-Y219 HydrophobicContact CG-CD1 3.76Å; Q185-Y219 HydrophobicContact CG-CE1 3.52Å; Q185-P220 WeakPolarHBondContact CB-O 3.47Å; Q185-P220 WeakPolarHBondContact CG-O 3.39Å; Q185-F221 HydrophobicContact CB-CD2 4.22Å; Q185-T222 PolarHBondContact OE1-OG1 2.8Å; Q185-T222 VanDerWaalsContact OE1-OG1 3.11Å; Q185-K224 PolarHBondContact NE2-O 2.78Å
186	Q	96.8	Very high	91.3	Very high	0 Å²	0	35 Å²	35	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-55.8	-37.9	175.5	-174.8	-167.4	-21.7	0	0	111	S183 S184 C190 F207 G212 V213 Y219 Y230	S183-Q186 PolarHBondContact OG-N 3.48Å; S184-Q186 PolarHBondContact O-N 2.9Å; Q186-C190 WeakPolarHBondContact O-CA 3.31Å; Q186-C190 WeakPolarHBondContact O-CB 3.44Å; Q186-C190 PolarHBondContact O-N 3.3Å; Q186-C190 PolarHBondContact O-SG 3.28Å; Q186-F207 HydrophobicContact CG-CE1 4.35Å; Q186-G212 PolarHBondContact NE2-O 3Å; Q186-G212 VanDerWaalsContact NE2-O 3.13Å; Q186-V213 VanDerWaalsContact OE1-CA 3.3Å; Q186-Y219 HydrophobicContact CB-CD2 3.86Å; Q186-Y219 HydrophobicContact CB-CE2 4.1Å; Q186-Y219 HydrophobicContact CB-CG 4.2Å; Q186-Y219 HydrophobicContact CG-CD2 4.08Å; Q186-Y219 HydrophobicContact CG-CE2 4.12Å; Q186-Y230 VanDerWaalsContact CD-CD2 3.45Å; Q186-Y230 HydrophobicContact CG-CD2 4.18Å; Q186-Y230 VanDerWaalsContact NE2-CE2 3.26Å
187	L	96	Very high	90.7	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-70.9	-39.9	177.3	-56	177.8	0	0	0	111.9	W160 A161 V165 S184 Q185 D189 A191 A204 F207 I208	W160-L187 HydrophobicContact CH2-CB 4.06Å; W160-L187 WeakPolarHBondContact CH2-O 3.38Å; W160-L187 HydrophobicContact CZ3-CB 4.19Å; A161-L187 HydrophobicContact CB-CB 3.77Å; A161-L187 HydrophobicContact CB-CD1 3.97Å; V165-L187 HydrophobicContact CG1-CD1 3.58Å; V165-L187 HydrophobicContact CG1-CG 4.39Å; S184-L187 WeakPolarHBondContact O-CB 3.45Å; S184-L187 PolarHBondContact O-N 3.21Å; S184-L187 VanDerWaalsContact O-N 3.14Å; Q185-L187 PolarHBondContact O-N 3.48Å; L187-D189 VanDerWaalsContact C-N 3.31Å; L187-D189 PolarHBondContact O-N 2.71Å; L187-A191 HydrophobicContact CB-CB 4.46Å; L187-A191 HydrophobicContact CD2-CB 4.5Å; L187-A191 CarbonylContact O-C 3.45Å; L187-A191 WeakPolarHBondContact O-CA 3.18Å; L187-A191 VanDerWaalsContact O-CB 3.23Å; L187-A191 WeakPolarHBondContact O-CB 3.49Å; L187-A191 PolarHBondContact O-N 3Å; L187-A204 HydrophobicContact CD1-CB 3.69Å; L187-A204 HydrophobicContact CD2-CB 4.45Å; L187-F207 HydrophobicContact CD2-CD1 3.59Å; L187-F207 HydrophobicContact CD2-CE1 4.12Å; L187-F207 HydrophobicContact CD2-CG 4.45Å; L187-I208 HydrophobicContact CD1-CD1 4.28Å; L187-I208 HydrophobicContact CD2-CD1 4.1Å; L187-I208 HydrophobicContact CD2-CG1 3.8Å
188	V	94	Very high	90	Very high	2 Å²	2	29.4 Å²	29.4	1%	0.012	17%	0.17	C	C	.	.	H	α-helix	trans	-61.2	-41.8	174.7	174.7	0	0	0	0	111.2	A161 S184 Q185 V225	A161-V188 HydrophobicContact CB-CG2 4.11Å; S184-V188 PolarHBondContact O-N 3.39Å; S184-V188 VanDerWaalsContact O-N 3.14Å; Q185-V188 PolarHBondContact O-N 2.85Å; V188-V225 HydrophobicContact CG1-CG2 4.18Å
189	D	95.1	Very high	89.5	Confident	6 Å²	6	26.2 Å²	26.2	3%	0.032	15%	0.149	C	C	.	.	H	α-helix	trans	-84.5	-31.5	-174.8	-68.5	-9.8	0	0	0	113.6	Q185 L187 H194 Y219 G226	Q185-D189 VanDerWaalsContact NE2-CG 3.33Å; Q185-D189 PolarHBondContact NE2-OD1 3.12Å; Q185-D189 PolarHBondContact NE2-OD2 2.77Å; Q185-D189 PolarHBondContact O-N 3.24Å; L187-D189 VanDerWaalsContact C-N 3.31Å; L187-D189 PolarHBondContact O-N 2.71Å; D189-H194 PolarHBondContact O-CE1 2.96Å; D189-H194 PolarHBondContact O-ND1 3.49Å; D189-Y219 VanDerWaalsContact CB-OH 3.27Å; D189-Y219 WeakPolarHBondContact CB-OH 3.32Å; D189-Y219 VanDerWaalsContact OD2-CE1 3.26Å; D189-Y219 WeakPolarHBondContact OD2-CE1 3.28Å; D189-Y219 PolarHBondContact OD2-OH 3.18Å; D189-G226 PolarHBondContact OD1-N 3.46Å
190	C	94.9	Very high	89	Confident	12 Å²	12	24.2 Å²	24.2	8%	0.081	14%	0.14	C	C	.	.	H	α-helix	trans	-117.1	-14.4	-168.9	-56.1	0	0	0	0	114.5	Q186 H194 F207 C228	Q186-C190 WeakPolarHBondContact O-CA 3.31Å; Q186-C190 WeakPolarHBondContact O-CB 3.44Å; Q186-C190 PolarHBondContact O-N 3.3Å; Q186-C190 PolarHBondContact O-SG 3.28Å; C190-H194 PolarHBondContact O-CE1 3.24Å; C190-F207 HydrophobicContact CB-CE1 4.38Å; C190-F207 HydrophobicContact CB-CE2 3.63Å; C190-F207 HydrophobicContact CB-CZ 3.46Å; C190-F207 VanDerWaalsContact CB-CZ 3.46Å; C190-F207 WeakPolarHBondContact O-CE2 3.17Å; C190-C228 HydrophobicContact CB-CB 3.92Å; C190-C228 WeakPolarHBondContact CB-SG 3.33Å; C190-C228 WeakPolarHBondContact SG-CA 3.09Å; C190-C228 WeakPolarHBondContact SG-CB 3.02Å; C190-C228 CovalentContact SG-SG 2.03Å; C190-C228 PolarHBondContact SG-SG 3.41Å
191	A	89.5	Confident	88.8	Confident	5 Å²	5	22.3 Å²	22.3	4%	0.041	13%	0.128	C	C	.	.	S	Bend	trans	-115.7	163.5	179.9	0	0	0	0	0	111.7	W160 L187 F207	W160-A191 HydrophobicContact CH2-CB 4.12Å; W160-A191 HydrophobicContact CZ3-CB 4.5Å; L187-A191 HydrophobicContact CB-CB 4.46Å; L187-A191 HydrophobicContact CD2-CB 4.5Å; L187-A191 CarbonylContact O-C 3.45Å; L187-A191 WeakPolarHBondContact O-CA 3.18Å; L187-A191 VanDerWaalsContact O-CB 3.23Å; L187-A191 WeakPolarHBondContact O-CB 3.49Å; L187-A191 PolarHBondContact O-N 3Å; A191-F207 HydrophobicContact CB-CB 3.65Å; A191-F207 HydrophobicContact CB-CD1 4.17Å; A191-F207 HydrophobicContact CB-CD2 3.75Å; A191-F207 HydrophobicContact CB-CE2 4.48Å; A191-F207 HydrophobicContact CB-CG 3.58Å
192	G	74.2	Confident	88.4	Confident	31 Å²	31	20.9 Å²	20.9	32%	0.32	12%	0.119	S	C	.	.	T	Hydrogen-bonded Turn	trans	63.1	-141.5	178.5	0	0	0	0	0	113.2	H194	G192-H194 VanDerWaalsContact C-N 3.28Å; G192-H194 PolarHBondContact O-N 3.31Å
193	D	75.3	Confident	88.1	Confident	85 Å²	85	22.5 Å²	22.5	46%	0.455	13%	0.129	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.3	1.5	-174	-63.9	-41.4	0	0	0	113.8	E195	D193-E195 PolarHBondContact O-N 3.02Å
194	H	76.6	Confident	88	Confident	101 Å²	101	22.5 Å²	22.5	47%	0.468	13%	0.129	S	C	.	.	S	Bend	trans	55.6	39.3	-171.6	-52.5	-79.4	0	0	0	112.3	D189 C190 G192 V225	D189-H194 PolarHBondContact O-CE1 2.96Å; D189-H194 PolarHBondContact O-ND1 3.49Å; C190-H194 PolarHBondContact O-CE1 3.24Å; G192-H194 VanDerWaalsContact C-N 3.28Å; G192-H194 PolarHBondContact O-N 3.31Å; H194-V225 VanDerWaalsContact O-CG1 3.24Å; H194-V225 WeakPolarHBondContact O-CG1 3.36Å
195	E	76.4	Confident	88	Confident	98 Å²	98	22.5 Å²	22.5	46%	0.458	13%	0.129	S	C	.	.	S	Bend	trans	-133.6	156.9	178.6	-67.7	-168.9	177.2	0	0	110.7	D193 V197 V225	D193-E195 PolarHBondContact O-N 3.02Å; E195-V197 HydrophobicContact CB-CB 4.19Å; E195-V197 HydrophobicContact CB-CG2 3.71Å; E195-V197 PolarHBondContact O-N 3.01Å; E195-V225 VanDerWaalsContact C-CG2 3.42Å
196	C	80	Confident	87.9	Confident	42 Å²	42	25.2 Å²	25.2	28%	0.284	14%	0.143	S	C	.	.	S	Bend	trans	-74.7	62.4	167.3	-80.5	0	0	0	0	110.3	C156 V225	C156-C196 HydrophobicContact CB-CB 3.95Å; C156-C196 WeakPolarHBondContact CB-SG 3.33Å; C156-C196 VanDerWaalsContact SG-CA 3.59Å; C156-C196 WeakPolarHBondContact SG-CB 3.47Å; C156-C196 CovalentContact SG-SG 2.04Å; C156-C196 PolarHBondContact SG-SG 2.72Å; C196-V225 HydrophobicContact CB-CG2 4.33Å; C196-V225 VanDerWaalsContact N-CG2 3.26Å
197	V	81.6	Confident	87.9	Confident	6 Å²	6	26.4 Å²	26.4	4%	0.036	15%	0.149	C	C	.	.	S	Bend	trans	-128.6	142.7	-176.8	175.3	0	0	0	0	108.6	Y114 A157 W160 E195 N199	Y114-V197 HydrophobicContact CD2-CG1 3.5Å; Y114-V197 HydrophobicContact CE2-CG1 3.76Å; Y114-V197 HydrophobicContact CG-CG1 4.12Å; A157-V197 CarbonylContact O-C 3.54Å; W160-V197 PolarHBondContact NE1-O 3.3Å; E195-V197 HydrophobicContact CB-CB 4.19Å; E195-V197 HydrophobicContact CB-CG2 3.71Å; E195-V197 PolarHBondContact O-N 3.01Å; V197-N199 PolarHBondContact O-N 3.09Å; V197-N199 PolarHBondContact O-ND2 3.44Å; V197-N199 VanDerWaalsContact O-ND2 3.16Å
198	E	82.4	Confident	88	Confident	3 Å²	3	26.4 Å²	26.4	1%	0.014	15%	0.149	C	C	.	.			trans	-60.7	134.7	177.4	-74.9	-59.9	151.7	0	0	112.3	N111 F115 A157 S159 F291	N111-E198 HydrophobicContact CB-CB 4.04Å; N111-E198 HydrophobicContact CB-CG 4.19Å; F115-E198 HydrophobicContact CE2-CB 4.47Å; A157-E198 HydrophobicContact CB-CG 4.2Å; S159-E198 WeakPolarHBondContact CB-OE1 3.24Å; S159-E198 PolarHBondContact OG-OE1 3.28Å; S159-E198 PolarHBondContact OG-OE2 3.41Å; E198-F291 HydrophobicContact CG-CD2 4.47Å
199	N	85.3	Confident	88.1	Confident	12 Å²	12	31.3 Å²	31.3	6%	0.064	17%	0.17	C	C	.	.			trans	-125.5	163.8	173.6	-84.7	-89.6	0	0	0	110.6	F115 W160 V197 V203	F115-N199 WeakPolarHBondContact CZ-O 3.37Å; W160-N199 WeakPolarHBondContact CB-O 3Å; W160-N199 VanDerWaalsContact CD1-N 3.29Å; W160-N199 HydrophobicContact CD2-CB 3.56Å; W160-N199 HydrophobicContact CE3-CB 3.86Å; W160-N199 HydrophobicContact CG-CB 3.87Å; W160-N199 HydrophobicContact CH2-CB 4.4Å; W160-N199 HydrophobicContact CZ2-CB 4.14Å; W160-N199 HydrophobicContact CZ3-CB 4.27Å; V197-N199 PolarHBondContact O-N 3.09Å; V197-N199 PolarHBondContact O-ND2 3.44Å; V197-N199 VanDerWaalsContact O-ND2 3.16Å; N199-V203 HydrophobicContact CB-CB 4.3Å; N199-V203 HydrophobicContact CB-CG2 4.44Å
200	P	87.2	Confident	88.2	Confident	11 Å²	11	38.3 Å²	38.3	7%	0.071	20%	0.202	C	C	.	.			trans	-60.1	140.2	163.9	-17.1	25.3	0	0	0	111.2	F115 T118 S202 V203	F115-P200 HydrophobicContact CD1-CG 4.36Å; F115-P200 HydrophobicContact CE1-CB 3.98Å; F115-P200 HydrophobicContact CE1-CG 3.5Å; F115-P200 HydrophobicContact CE2-CG 4.22Å; F115-P200 HydrophobicContact CZ-CB 3.82Å; F115-P200 HydrophobicContact CZ-CG 3.46Å; F115-P200 VanDerWaalsContact CZ-CG 3.46Å; T118-P200 HydrophobicContact CG2-CG 3.37Å; P200-S202 VanDerWaalsContact CB-OG 3.29Å; P200-S202 WeakPolarHBondContact CB-OG 3.49Å; P200-S202 PolarHBondContact O-N 3.22Å; P200-S202 VanDerWaalsContact O-N 3.1Å; P200-V203 HydrophobicContact CB-CG2 4.18Å; P200-V203 HydrophobicContact CG-CG2 3.96Å; P200-V203 WeakPolarHBondContact O-CB 3.07Å; P200-V203 PolarHBondContact O-N 3.3Å
201	V	91.9	Very high	88.3	Confident	2 Å²	2	40.6 Å²	40.6	1%	0.012	21%	0.214	C	C	.	.	H	α-helix	trans	-51.5	-30.1	164.7	162.5	0	0	0	0	111.5	S164 V203 A204 F205 A263 Y341	S164-V201 WeakPolarHBondContact OG-CG1 3.04Å; V201-V203 VanDerWaalsContact C-N 3.29Å; V201-V203 PolarHBondContact O-N 3.34Å; V201-A204 WeakPolarHBondContact O-CB 3.4Å; V201-A204 PolarHBondContact O-N 3.46Å; V201-F205 HydrophobicContact CG1-CD2 3.75Å; V201-F205 HydrophobicContact CG1-CE2 3.22Å; V201-F205 HydrophobicContact CG1-CZ 3.68Å; V201-F205 PolarHBondContact O-N 2.63Å; V201-F205 VanDerWaalsContact O-N 3.13Å; V201-A263 HydrophobicContact CG1-CB 4Å; V201-A263 HydrophobicContact CG2-CB 4.32Å; V201-Y341 HydrophobicContact CB-CD2 4.43Å; V201-Y341 HydrophobicContact CG1-CD2 4.39Å; V201-Y341 HydrophobicContact CG1-CG 4.34Å
202	S	91.1	Very high	88.7	Confident	20 Å²	20	40.4 Å²	40.4	14%	0.14	21%	0.212	C	C	.	.	H	α-helix	trans	-63.3	-30.3	174.4	64.3	0	0	0	0	113.8	P200 F205 D206	P200-S202 VanDerWaalsContact CB-OG 3.29Å; P200-S202 WeakPolarHBondContact CB-OG 3.49Å; P200-S202 PolarHBondContact O-N 3.22Å; P200-S202 VanDerWaalsContact O-N 3.1Å; S202-F205 PolarHBondContact O-N 2.9Å; S202-D206 WeakPolarHBondContact O-CB 3.27Å; S202-D206 VanDerWaalsContact O-CG 3.32Å; S202-D206 PolarHBondContact O-N 3.42Å
203	V	91.6	Very high	89.8	Confident	36 Å²	36	38.9 Å²	38.9	22%	0.218	20%	0.197	C	C	.	.	H	α-helix	trans	-64.9	-43.5	176.1	172.3	0	0	0	0	110.6	W160 N199 P200 V201 D206 F207	W160-V203 HydrophobicContact CZ3-CG1 4.35Å; N199-V203 HydrophobicContact CB-CB 4.3Å; N199-V203 HydrophobicContact CB-CG2 4.44Å; P200-V203 HydrophobicContact CB-CG2 4.18Å; P200-V203 HydrophobicContact CG-CG2 3.96Å; P200-V203 WeakPolarHBondContact O-CB 3.07Å; P200-V203 PolarHBondContact O-N 3.3Å; V201-V203 VanDerWaalsContact C-N 3.29Å; V201-V203 PolarHBondContact O-N 3.34Å; V203-D206 PolarHBondContact O-N 3.08Å; V203-F207 PolarHBondContact O-N 3.24Å; V203-F207 VanDerWaalsContact O-N 3.11Å
204	A	95.2	Very high	91	Very high	0 Å²	0	35 Å²	35	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-59.3	-47.9	172.8	0	0	0	0	0	111.1	W160 S164 L187 V201 F207 I208	W160-A204 HydrophobicContact CE3-CB 3.81Å; W160-A204 HydrophobicContact CZ3-CB 3.69Å; S164-A204 VanDerWaalsContact CB-CB 3.43Å; S164-A204 WeakPolarHBondContact OG-CB 3.43Å; L187-A204 HydrophobicContact CD1-CB 3.69Å; L187-A204 HydrophobicContact CD2-CB 4.45Å; V201-A204 WeakPolarHBondContact O-CB 3.4Å; V201-A204 PolarHBondContact O-N 3.46Å; A204-F207 PolarHBondContact O-N 2.78Å; A204-I208 WeakPolarHBondContact O-CG1 3.42Å; A204-I208 PolarHBondContact O-N 3.34Å
205	F	96.1	Very high	92	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-65.9	-39.1	-179.3	-67.8	-31.6	0	0	0	113.3	S164 A167 V201 S202 F207 I208 K209 I239 Y242 P343	S164-F205 WeakPolarHBondContact O-CE1 3.29Å; A167-F205 HydrophobicContact CB-CZ 4.47Å; V201-F205 HydrophobicContact CG1-CD2 3.75Å; V201-F205 HydrophobicContact CG1-CE2 3.22Å; V201-F205 HydrophobicContact CG1-CZ 3.68Å; V201-F205 PolarHBondContact O-N 2.63Å; V201-F205 VanDerWaalsContact O-N 3.13Å; S202-F205 PolarHBondContact O-N 2.9Å; F205-F207 VanDerWaalsContact C-N 3.3Å; F205-F207 PolarHBondContact O-N 3.37Å; F205-I208 HydrophobicContact CD1-CD1 4.34Å; F205-I208 PolarHBondContact O-N 3.19Å; F205-K209 VanDerWaalsContact O-CB 3.25Å; F205-K209 WeakPolarHBondContact O-CB 3.21Å; F205-K209 PolarHBondContact O-N 3.28Å; F205-I239 HydrophobicContact CB-CD1 3.62Å; F205-I239 HydrophobicContact CD1-CD1 3.97Å; F205-I239 HydrophobicContact CG-CD1 4.03Å; F205-I239 VanDerWaalsContact O-CD1 3.32Å; F205-I239 WeakPolarHBondContact O-CD1 3.47Å; F205-Y242 HydrophobicContact CB-CD1 3.37Å; F205-Y242 HydrophobicContact CB-CD2 4.44Å; F205-Y242 HydrophobicContact CB-CE1 3.78Å; F205-Y242 HydrophobicContact CB-CG 3.73Å; F205-Y242 HydrophobicContact CD2-CD1 4.32Å; F205-Y242 HydrophobicContact CD2-CD2 4.08Å; F205-Y242 AromaticContact CD2-CG 3.76Å; F205-Y242 HydrophobicContact CD2-CG 3.76Å; F205-Y242 HydrophobicContact CG-CD1 4.22Å; F205-Y242 HydrophobicContact CG-CG 4.1Å; F205-P343 HydrophobicContact CD1-CB 4.13Å; F205-P343 HydrophobicContact CE1-CB 3.81Å; F205-P343 HydrophobicContact CE1-CG 3.85Å; F205-P343 HydrophobicContact CZ-CB 4.16Å; F205-P343 HydrophobicContact CZ-CG 4.02Å
206	D	95.2	Very high	93	Very high	57 Å²	57	28.2 Å²	28.2	31%	0.305	15%	0.145	S	C	.	.	H	α-helix	trans	-60.5	-41.1	174.2	-76.3	-29.1	0	0	0	111.6	S202 V203 Q210 Y242	S202-D206 WeakPolarHBondContact O-CB 3.27Å; S202-D206 VanDerWaalsContact O-CG 3.32Å; S202-D206 PolarHBondContact O-N 3.42Å; V203-D206 PolarHBondContact O-N 3.08Å; D206-Q210 WeakPolarHBondContact O-CG 3.48Å; D206-Q210 PolarHBondContact O-N 2.92Å; D206-Q210 PolarHBondContact O-NE2 2.58Å; D206-Y242 VanDerWaalsContact CG-OH 3.3Å; D206-Y242 WeakPolarHBondContact OD1-CE1 3.23Å; D206-Y242 PolarHBondContact OD1-OH 2.86Å; D206-Y242 PolarHBondContact OD2-OH 2.76Å
207	F	95.9	Very high	93.9	Very high	26 Å²	26	34.3 Å²	34.3	11%	0.114	17%	0.17	C	C	.	.	H	α-helix	trans	-66.4	-48.4	175.4	176.2	-88.1	0	0	0	112	Q186 L187 C190 A191 V203 A204 F205 K209 Q210 N211	Q186-F207 HydrophobicContact CG-CE1 4.35Å; L187-F207 HydrophobicContact CD2-CD1 3.59Å; L187-F207 HydrophobicContact CD2-CE1 4.12Å; L187-F207 HydrophobicContact CD2-CG 4.45Å; C190-F207 HydrophobicContact CB-CE1 4.38Å; C190-F207 HydrophobicContact CB-CE2 3.63Å; C190-F207 HydrophobicContact CB-CZ 3.46Å; C190-F207 VanDerWaalsContact CB-CZ 3.46Å; C190-F207 WeakPolarHBondContact O-CE2 3.17Å; A191-F207 HydrophobicContact CB-CB 3.65Å; A191-F207 HydrophobicContact CB-CD1 4.17Å; A191-F207 HydrophobicContact CB-CD2 3.75Å; A191-F207 HydrophobicContact CB-CE2 4.48Å; A191-F207 HydrophobicContact CB-CG 3.58Å; V203-F207 PolarHBondContact O-N 3.24Å; V203-F207 VanDerWaalsContact O-N 3.11Å; A204-F207 PolarHBondContact O-N 2.78Å; F205-F207 VanDerWaalsContact C-N 3.3Å; F205-F207 PolarHBondContact O-N 3.37Å; F207-K209 VanDerWaalsContact C-N 3.26Å; F207-K209 PolarHBondContact O-N 3.41Å; F207-Q210 PolarHBondContact O-N 3.23Å; F207-Q210 VanDerWaalsContact O-N 3.11Å; F207-N211 WeakPolarHBondContact CD2-ND2 3.34Å; F207-N211 HydrophobicContact CE1-CB 4.16Å; F207-N211 HydrophobicContact CE2-CB 4.36Å; F207-N211 WeakPolarHBondContact CE2-ND2 3.49Å; F207-N211 HydrophobicContact CZ-CB 4.01Å; F207-N211 PolarHBondContact O-N 2.93Å; F207-N211 PolarHBondContact O-ND2 2.89Å; F207-N211 VanDerWaalsContact O-ND2 3.16Å
208	I	98.1	Very high	94.6	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-61.9	-36.5	179.9	-66.4	165.8	0	0	0	110.9	L168 L187 A204 F205 Q210 G212 V213 T238 I239	L168-I208 HydrophobicContact CD2-CD1 4.04Å; L168-I208 HydrophobicContact CD2-CG2 3.84Å; L187-I208 HydrophobicContact CD1-CD1 4.28Å; L187-I208 HydrophobicContact CD2-CD1 4.1Å; L187-I208 HydrophobicContact CD2-CG1 3.8Å; A204-I208 WeakPolarHBondContact O-CG1 3.42Å; A204-I208 PolarHBondContact O-N 3.34Å; F205-I208 HydrophobicContact CD1-CD1 4.34Å; F205-I208 PolarHBondContact O-N 3.19Å; I208-Q210 VanDerWaalsContact C-N 3.31Å; I208-Q210 PolarHBondContact O-N 3.46Å; I208-G212 WeakPolarHBondContact O-CA 3.42Å; I208-G212 PolarHBondContact O-N 3.31Å; I208-V213 HydrophobicContact CG1-CB 4.27Å; I208-V213 HydrophobicContact CG2-CG1 4.24Å; I208-T238 PolarHBondContact O-OG1 3.3Å; I208-I239 HydrophobicContact CG2-CG1 4.19Å; I208-I239 HydrophobicContact CG2-CG2 3.93Å
209	K	96.8	Very high	95.4	Very high	104 Å²	104	38 Å²	38	45%	0.452	19%	0.188	S	C	.	.	H	α-helix	trans	-62.6	-37.2	176	178.5	170.9	175.2	168.5	0	112.6	F205 F207 I239 S240	F205-K209 VanDerWaalsContact O-CB 3.25Å; F205-K209 WeakPolarHBondContact O-CB 3.21Å; F205-K209 PolarHBondContact O-N 3.28Å; F207-K209 VanDerWaalsContact C-N 3.26Å; F207-K209 PolarHBondContact O-N 3.41Å; K209-I239 HydrophobicContact CB-CD1 4.31Å; K209-I239 HydrophobicContact CB-CG1 3.77Å; K209-S240 WeakPolarHBondContact CE-O 3.37Å; K209-S240 PolarHBondContact NZ-O 3.05Å; K209-S240 VanDerWaalsContact NZ-O 3.14Å
210	Q	96.5	Very high	95.9	Very high	153 Å²	153	40.8 Å²	40.8	72%	0.715	21%	0.207	S	C	*	.	H	α-helix	trans	-83.9	-39.7	-177.4	-70.5	173	55.9	0	0	112.5	D206 F207 I208	D206-Q210 WeakPolarHBondContact O-CG 3.48Å; D206-Q210 PolarHBondContact O-N 2.92Å; D206-Q210 PolarHBondContact O-NE2 2.58Å; F207-Q210 PolarHBondContact O-N 3.23Å; F207-Q210 VanDerWaalsContact O-N 3.11Å; I208-Q210 VanDerWaalsContact C-N 3.31Å; I208-Q210 PolarHBondContact O-N 3.46Å
211	N	97.3	Very high	96.3	Very high	61 Å²	61	42.1 Å²	42.1	33%	0.326	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	-111.3	-39.7	-169.5	-58.5	-72.4	0	0	0	112	F207 Y230 K235	F207-N211 WeakPolarHBondContact CD2-ND2 3.34Å; F207-N211 HydrophobicContact CE1-CB 4.16Å; F207-N211 HydrophobicContact CE2-CB 4.36Å; F207-N211 WeakPolarHBondContact CE2-ND2 3.49Å; F207-N211 HydrophobicContact CZ-CB 4.01Å; F207-N211 PolarHBondContact O-N 2.93Å; F207-N211 PolarHBondContact O-ND2 2.89Å; F207-N211 VanDerWaalsContact O-ND2 3.16Å; N211-Y230 HydrophobicContact CB-CE1 4.06Å; N211-Y230 PolarHBondContact O-OH 3.23Å; N211-K235 WeakPolarHBondContact O-CD 3.4Å
212	G	97.8	Very high	96.4	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	23%	0.231	C	C	.	.			trans	91.6	-175.3	-165	0	0	0	0	0	112	Q186 I208 T237	Q186-G212 PolarHBondContact NE2-O 3Å; Q186-G212 VanDerWaalsContact NE2-O 3.13Å; I208-G212 WeakPolarHBondContact O-CA 3.42Å; I208-G212 PolarHBondContact O-N 3.31Å; G212-T237 CarbonylContact C-O 3.59Å; G212-T237 WeakPolarHBondContact CA-O 3.22Å
213	V	98.5	Very high	96.3	Very high	0 Å²	0	45 Å²	45	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	139.9	-176.1	62.1	0	0	0	0	111.3	L168 L182 Q186 I208 V236 T237	L168-V213 HydrophobicContact CD2-CG1 3.93Å; L182-V213 HydrophobicContact CB-CG2 4.33Å; L182-V213 HydrophobicContact CD1-CG1 3.9Å; L182-V213 HydrophobicContact CD2-CG1 4.14Å; L182-V213 HydrophobicContact CG-CG1 4.41Å; Q186-V213 VanDerWaalsContact OE1-CA 3.3Å; I208-V213 HydrophobicContact CG1-CB 4.27Å; I208-V213 HydrophobicContact CG2-CG1 4.24Å; V213-V236 PolarHBondContact O-N 2.9Å; V213-T237 HydrophobicContact CG1-CG2 3.78Å; V213-T237 PolarHBondContact N-O 3.18Å; V213-T237 PolarHBondContact O-N 2.95Å
214	E	98.6	Very high	96.2	Very high	2 Å²	2	49.9 Å²	49.9	1%	0.009	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	169	174.8	-65	-176.7	77.6	0	0	111.4	S183 D218 Y219 Y230 D231 K234	S183-E214 PolarHBondContact N-O 3.19Å; E214-D218 HydrophobicContact CB-CB 4.42Å; E214-Y219 WeakPolarHBondContact OE2-CD2 3.3Å; E214-Y230 HydrophobicContact CG-CD2 3.9Å; E214-Y230 HydrophobicContact CG-CE2 3.84Å; E214-Y230 WeakPolarHBondContact OE2-CA 3.32Å; E214-Y230 VanDerWaalsContact OE2-CD2 3.23Å; E214-Y230 WeakPolarHBondContact OE2-CD2 3.11Å; E214-D231 PolarHBondContact OE2-N 3.43Å; E214-K234 HydrophobicContact CG-CB 4.09Å; E214-K234 WeakPolarHBondContact OE1-CB 3.35Å; E214-K234 WeakPolarHBondContact OE1-CD 3.36Å
215	S	98.3	Very high	96	Very high	9 Å²	9	52.6 Å²	52.6	6%	0.063	27%	0.266	C	S	.	.	B	Isolated β-bridge	trans	-71.8	156.2	172.5	78	0	0	0	0	111	P181 Q217 D218 Y219 V236	P181-S215 CarbonylContact O-C 3.14Å; P181-S215 WeakPolarHBondContact O-CA 3.38Å; S215-Q217 PolarHBondContact O-N 3.41Å; S215-Q217 PolarHBondContact OG-N 2.81Å; S215-D218 PolarHBondContact O-N 2.78Å; S215-D218 WeakPolarHBondContact OG-CB 3.49Å; S215-D218 VanDerWaalsContact OG-CG 3.28Å; S215-D218 PolarHBondContact OG-N 2.78Å; S215-D218 PolarHBondContact OG-OD2 2.04Å; S215-Y219 PolarHBondContact O-N 3.29Å; S215-V236 VanDerWaalsContact N-CG2 3.34Å
216	Q	97.9	Very high	95.8	Very high	48 Å²	48	54.1 Å²	54.1	22%	0.224	28%	0.282	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.2	-29.6	167.8	176.7	66.9	40.2	0	0	111.9	K151 P181 L182 Y219 P220	K151-Q216 VanDerWaalsContact NZ-OE1 3.11Å; P181-Q216 HydrophobicContact CB-CB 3.89Å; P181-Q216 PolarHBondContact O-N 2.67Å; L182-Q216 PolarHBondContact O-OE1 3.36Å; Q216-Y219 CarbonylContact O-C 3.4Å; Q216-P220 VanDerWaalsContact O-CA 3.25Å; Q216-P220 WeakPolarHBondContact O-CA 3.28Å
217	Q	97.6	Very high	95.7	Very high	171 Å²	171	58.3 Å²	58.3	80%	0.799	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.5	-39.9	-179.6	-179.3	178.5	0.6	0	0	111.8	S215	S215-Q217 PolarHBondContact O-N 3.41Å; S215-Q217 PolarHBondContact OG-N 2.81Å
218	D	98.2	Very high	95.7	Very high	71 Å²	71	60.3 Å²	60.3	38%	0.38	32%	0.321	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.9	-30.5	-178.8	-67.4	-55.2	0	0	0	112.6	E214 S215 K234	E214-D218 HydrophobicContact CB-CB 4.42Å; S215-D218 PolarHBondContact O-N 2.78Å; S215-D218 WeakPolarHBondContact OG-CB 3.49Å; S215-D218 VanDerWaalsContact OG-CG 3.28Å; S215-D218 PolarHBondContact OG-N 2.78Å; S215-D218 PolarHBondContact OG-OD2 2.04Å; D218-K234 HydrophobicContact CB-CD 3.97Å
219	Y	97.9	Very high	95.5	Very high	15 Å²	15	65 Å²	65	6%	0.059	35%	0.349	C	S	.	.	S	Bend	trans	-132.2	81.2	176.4	-157.4	-36.2	0	0	0	110.5	S183 Q185 Q186 D189 E214 S215 Q216 N227 T229	S183-Y219 WeakPolarHBondContact CB-O 3.28Å; S183-Y219 WeakPolarHBondContact OG-CB 3.21Å; S183-Y219 PolarHBondContact OG-O 3.14Å; Q185-Y219 HydrophobicContact CB-CD1 3.89Å; Q185-Y219 HydrophobicContact CB-CE1 4.1Å; Q185-Y219 HydrophobicContact CG-CD1 3.76Å; Q185-Y219 HydrophobicContact CG-CE1 3.52Å; Q186-Y219 HydrophobicContact CB-CD2 3.86Å; Q186-Y219 HydrophobicContact CB-CE2 4.1Å; Q186-Y219 HydrophobicContact CB-CG 4.2Å; Q186-Y219 HydrophobicContact CG-CD2 4.08Å; Q186-Y219 HydrophobicContact CG-CE2 4.12Å; D189-Y219 VanDerWaalsContact CB-OH 3.27Å; D189-Y219 WeakPolarHBondContact CB-OH 3.32Å; D189-Y219 VanDerWaalsContact OD2-CE1 3.26Å; D189-Y219 WeakPolarHBondContact OD2-CE1 3.28Å; D189-Y219 PolarHBondContact OD2-OH 3.18Å; E214-Y219 WeakPolarHBondContact OE2-CD2 3.3Å; S215-Y219 PolarHBondContact O-N 3.29Å; Q216-Y219 CarbonylContact O-C 3.4Å; Y219-N227 PolarHBondContact OH-O 3.4Å; Y219-T229 PolarHBondContact OH-N 3.15Å; Y219-T229 PolarHBondContact OH-OG1 3.21Å
220	P	96.9	Very high	95.5	Very high	71 Å²	71	62.4 Å²	62.4	46%	0.461	34%	0.337	S	S	.	.			trans	-65.7	152.4	-175.3	-23.4	35.3	0	0	0	114.6	Q185 Q216	Q185-P220 WeakPolarHBondContact CB-O 3.47Å; Q185-P220 WeakPolarHBondContact CG-O 3.39Å; Q216-P220 VanDerWaalsContact O-CA 3.25Å; Q216-P220 WeakPolarHBondContact O-CA 3.28Å
221	F	95.3	Very high	95.5	Very high	39 Å²	39	57.9 Å²	57.9	17%	0.171	32%	0.318	C	S	.	.			trans	-74	137.2	174.1	-168.8	-103.4	0	0	0	111.4	T152 E154 Q185	T152-F221 VanDerWaalsContact O-CE1 3.25Å; T152-F221 WeakPolarHBondContact O-CE1 3.34Å; E154-F221 HydrophobicContact CG-CE1 4.24Å; Q185-F221 HydrophobicContact CB-CD2 4.22Å
222	T	93.5	Very high	95.5	Very high	69 Å²	69	59 Å²	59	42%	0.423	33%	0.331	S	S	.	.			trans	-127.5	-0.6	-175.5	68.5	0	0	0	0	113.6	Q185 K224	Q185-T222 PolarHBondContact OE1-OG1 2.8Å; Q185-T222 VanDerWaalsContact OE1-OG1 3.11Å; T222-K224 PolarHBondContact O-N 3.11Å; T222-K224 PolarHBondContact OG1-O 2.87Å
223	G	88.1	Confident	95.5	Very high	14 Å²	14	63.7 Å²	63.7	14%	0.144	36%	0.363	C	S	.	.	S	Bend	trans	67	14.9	176.9	0	0	0	0	0	114.7	C156	C156-G223 WeakPolarHBondContact CB-O 3.3Å
224	K	91.3	Very high	95.4	Very high	138 Å²	138	68 Å²	68	60%	0.6	38%	0.382	S	S	*	.	S	Bend	trans	-154.8	163.2	179.9	65	-170.6	176	-173.9	0	110.7	Q185 T222	Q185-K224 PolarHBondContact NE2-O 2.78Å; T222-K224 PolarHBondContact O-N 3.11Å; T222-K224 PolarHBondContact OG1-O 2.87Å
225	V	89.6	Confident	95.4	Very high	56 Å²	56	72.9 Å²	72.9	34%	0.339	40%	0.403	S	S	.	.			trans	-72	128.1	173.5	-179.6	0	0	0	0	109.8	V188 H194 E195 C196	V188-V225 HydrophobicContact CG1-CG2 4.18Å; H194-V225 VanDerWaalsContact O-CG1 3.24Å; H194-V225 WeakPolarHBondContact O-CG1 3.36Å; E195-V225 VanDerWaalsContact C-CG2 3.42Å; C196-V225 HydrophobicContact CB-CG2 4.33Å; C196-V225 VanDerWaalsContact N-CG2 3.26Å
226	G	91.6	Very high	95.4	Very high	33 Å²	33	75.2 Å²	75.2	34%	0.34	42%	0.417	S	S	.	.			trans	-110.7	-174.3	168.8	0	0	0	0	0	112.4	D189	D189-G226 PolarHBondContact OD1-N 3.46Å
227	N	94	Very high	95.4	Very high	145 Å²	145	74 Å²	74	78%	0.775	41%	0.413	S	S	*	.			trans	-73.5	142	165.1	-68.1	-31.3	0	0	0	108.8	Y219 T229	Y219-N227 PolarHBondContact OH-O 3.4Å; N227-T229 PolarHBondContact O-N 3.4Å
228	C	95	Very high	95.4	Very high	67 Å²	67	68.2 Å²	68.2	45%	0.453	39%	0.39	S	S	.	.			trans	-63.7	106.8	170.5	-179.9	0	0	0	0	110.5	C190	C190-C228 HydrophobicContact CB-CB 3.92Å; C190-C228 WeakPolarHBondContact CB-SG 3.33Å; C190-C228 WeakPolarHBondContact SG-CA 3.09Å; C190-C228 WeakPolarHBondContact SG-CB 3.02Å; C190-C228 CovalentContact SG-SG 2.03Å; C190-C228 PolarHBondContact SG-SG 3.41Å
229	T	95.6	Very high	95.3	Very high	98 Å²	98	65.1 Å²	65.1	60%	0.601	37%	0.373	S	S	*	.			trans	-109.1	28.2	177.3	58.5	0	0	0	0	112.4	Y219 N227 D231	Y219-T229 PolarHBondContact OH-N 3.15Å; Y219-T229 PolarHBondContact OH-OG1 3.21Å; N227-T229 PolarHBondContact O-N 3.4Å; T229-D231 PolarHBondContact O-N 3.15Å
230	Y	95.8	Very high	95.2	Very high	50 Å²	50	67.3 Å²	67.3	20%	0.196	39%	0.391	C	S	.	.			trans	-55.1	127.1	-178	170	-121.9	0	0	0	111.9	Q186 N211 E214 S232	Q186-Y230 VanDerWaalsContact CD-CD2 3.45Å; Q186-Y230 HydrophobicContact CG-CD2 4.18Å; Q186-Y230 VanDerWaalsContact NE2-CE2 3.26Å; N211-Y230 HydrophobicContact CB-CE1 4.06Å; N211-Y230 PolarHBondContact O-OH 3.23Å; E214-Y230 HydrophobicContact CG-CD2 3.9Å; E214-Y230 HydrophobicContact CG-CE2 3.84Å; E214-Y230 WeakPolarHBondContact OE2-CA 3.32Å; E214-Y230 VanDerWaalsContact OE2-CD2 3.23Å; E214-Y230 WeakPolarHBondContact OE2-CD2 3.11Å; Y230-S232 WeakPolarHBondContact OH-CA 3.24Å
231	D	97	Very high	95.2	Very high	58 Å²	58	65.2 Å²	65.2	31%	0.31	38%	0.377	S	S	.	.			trans	-110.7	105.3	175.4	-175.1	-10.4	0	0	0	110.6	E214 T229 S233 K234	E214-D231 PolarHBondContact OE2-N 3.43Å; T229-D231 PolarHBondContact O-N 3.15Å; D231-S233 PolarHBondContact O-N 2.95Å; D231-S233 VanDerWaalsContact OD1-CB 3.29Å; D231-S233 WeakPolarHBondContact OD1-CB 3.38Å; D231-S233 PolarHBondContact OD1-N 3.32Å; D231-S233 PolarHBondContact OD1-OG 3.23Å; D231-S233 PolarHBondContact OD2-OG 3.37Å; D231-K234 HydrophobicContact CB-CB 4.48Å; D231-K234 HydrophobicContact CB-CD 4.18Å; D231-K234 HydrophobicContact CB-CG 4.23Å; D231-K234 PolarHBondContact O-N 3.12Å; D231-K234 WeakPolarHBondContact OD2-CE 3.42Å
232	S	96.3	Very high	95.2	Very high	85 Å²	85	64.2 Å²	64.2	59%	0.594	37%	0.373	S	S	*	.	G	3₁₀ helix	trans	-58.9	-21.7	179.5	67.1	0	0	0	0	114.7	Y230 K234 K235	Y230-S232 WeakPolarHBondContact OH-CA 3.24Å; S232-K234 VanDerWaalsContact C-N 3.26Å; S232-K234 PolarHBondContact O-N 2.96Å; S232-K235 WeakPolarHBondContact O-CB 3.3Å; S232-K235 PolarHBondContact O-N 3.35Å
233	S	97.8	Very high	95.2	Very high	98 Å²	98	61.6 Å²	61.6	69%	0.685	36%	0.356	S	S	*	.	G	3₁₀ helix	trans	-73.1	-18.1	176.4	75.7	0	0	0	0	113.4	D231	D231-S233 PolarHBondContact O-N 2.95Å; D231-S233 VanDerWaalsContact OD1-CB 3.29Å; D231-S233 WeakPolarHBondContact OD1-CB 3.38Å; D231-S233 PolarHBondContact OD1-N 3.32Å; D231-S233 PolarHBondContact OD1-OG 3.23Å; D231-S233 PolarHBondContact OD2-OG 3.37Å
234	K	98	Very high	95.5	Very high	90 Å²	90	61.6 Å²	61.6	39%	0.391	35%	0.352	S	S	.	.	G	3₁₀ helix	trans	-103.6	9.6	178.6	-60.5	-176.9	-170.9	174.8	0	113.5	E214 D218 D231 S232 V236	E214-K234 HydrophobicContact CG-CB 4.09Å; E214-K234 WeakPolarHBondContact OE1-CB 3.35Å; E214-K234 WeakPolarHBondContact OE1-CD 3.36Å; D218-K234 HydrophobicContact CB-CD 3.97Å; D231-K234 HydrophobicContact CB-CB 4.48Å; D231-K234 HydrophobicContact CB-CD 4.18Å; D231-K234 HydrophobicContact CB-CG 4.23Å; D231-K234 PolarHBondContact O-N 3.12Å; D231-K234 WeakPolarHBondContact OD2-CE 3.42Å; S232-K234 VanDerWaalsContact C-N 3.26Å; S232-K234 PolarHBondContact O-N 2.96Å; K234-V236 PolarHBondContact O-N 3.42Å
235	K	97.9	Very high	95.6	Very high	105 Å²	105	55.4 Å²	55.4	46%	0.457	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-55.7	122.8	176.1	178.6	177.5	64.8	-176.1	0	110.7	N211 S232 T237	N211-K235 WeakPolarHBondContact O-CD 3.4Å; S232-K235 WeakPolarHBondContact O-CB 3.3Å; S232-K235 PolarHBondContact O-N 3.35Å; K235-T237 WeakPolarHBondContact CG-O 2.89Å
236	V	97.8	Very high	95.7	Very high	59 Å²	59	54.6 Å²	54.6	36%	0.358	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	-47.7	175.1	175.3	0	0	0	0	110.7	T180 L182 V213 S215 K234	T180-V236 HydrophobicContact CG2-CG1 4.03Å; T180-V236 HydrophobicContact CG2-CG2 4.38Å; L182-V236 HydrophobicContact CD2-CB 3.92Å; L182-V236 HydrophobicContact CD2-CG1 3.79Å; L182-V236 HydrophobicContact CD2-CG2 4.42Å; V213-V236 PolarHBondContact O-N 2.9Å; S215-V236 VanDerWaalsContact N-CG2 3.34Å; K234-V236 PolarHBondContact O-N 3.42Å
237	T	97.7	Very high	95.7	Very high	22 Å²	22	56.3 Å²	56.3	14%	0.135	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.2	173.8	-175.3	-165.3	0	0	0	0	112.3	L168 V172 L182 G212 V213 K235	L168-T237 HydrophobicContact CD1-CG2 4.45Å; L168-T237 HydrophobicContact CD2-CG2 3.87Å; L168-T237 HydrophobicContact CG-CG2 4.15Å; V172-T237 HydrophobicContact CG2-CG2 3.88Å; L182-T237 HydrophobicContact CD1-CG2 3.99Å; L182-T237 HydrophobicContact CD2-CG2 4.28Å; G212-T237 CarbonylContact C-O 3.59Å; G212-T237 WeakPolarHBondContact CA-O 3.22Å; V213-T237 HydrophobicContact CG1-CG2 3.78Å; V213-T237 PolarHBondContact N-O 3.18Å; V213-T237 PolarHBondContact O-N 2.95Å; K235-T237 WeakPolarHBondContact CG-O 2.89Å
238	T	97.7	Very high	95.7	Very high	50 Å²	50	52.4 Å²	52.4	31%	0.307	30%	0.3	S	S	.	.			trans	-147.1	177.8	171.2	-172	0	0	0	0	108.7	I208	I208-T238 PolarHBondContact O-OG1 3.3Å
239	I	97.3	Very high	95.8	Very high	5 Å²	5	50 Å²	50	3%	0.026	28%	0.282	C	S	.	.			trans	-125	145	178.6	69	176.5	0	0	0	109.3	L168 F205 I208 K209 Y242 P343 V344	L168-I239 HydrophobicContact CD1-CG2 3.47Å; L168-I239 VanDerWaalsContact CD1-CG2 3.47Å; L168-I239 HydrophobicContact CD2-CG2 3.98Å; L168-I239 HydrophobicContact CG-CG2 4.37Å; F205-I239 HydrophobicContact CB-CD1 3.62Å; F205-I239 HydrophobicContact CD1-CD1 3.97Å; F205-I239 HydrophobicContact CG-CD1 4.03Å; F205-I239 VanDerWaalsContact O-CD1 3.32Å; F205-I239 WeakPolarHBondContact O-CD1 3.47Å; I208-I239 HydrophobicContact CG2-CG1 4.19Å; I208-I239 HydrophobicContact CG2-CG2 3.93Å; K209-I239 HydrophobicContact CB-CD1 4.31Å; K209-I239 HydrophobicContact CB-CG1 3.77Å; I239-Y242 HydrophobicContact CD1-CD1 4.22Å; I239-P343 HydrophobicContact CB-CB 4.37Å; I239-P343 HydrophobicContact CD1-CB 4.23Å; I239-P343 HydrophobicContact CG2-CB 3.67Å; I239-V344 CarbonylContact C-O 3.57Å; I239-V344 WeakPolarHBondContact CA-O 3.39Å; I239-V344 WeakPolarHBondContact CB-O 3.4Å
240	S	96	Very high	95.8	Very high	62 Å²	62	50.4 Å²	50.4	43%	0.434	28%	0.277	S	S	.	.	S	Bend	trans	-78.2	-36.2	172.3	56.8	0	0	0	0	111.9	K209 V344 I345	K209-S240 WeakPolarHBondContact CE-O 3.37Å; K209-S240 PolarHBondContact NZ-O 3.05Å; K209-S240 VanDerWaalsContact NZ-O 3.14Å; S240-V344 PolarHBondContact N-O 3.44Å; S240-V344 PolarHBondContact OG-O 3.32Å; S240-I345 PolarHBondContact N-OXT 2.83Å; S240-I345 PolarHBondContact OG-OXT 3.01Å
241	S	95.5	Very high	95.7	Very high	26 Å²	26	49.8 Å²	49.8	18%	0.182	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-162.6	-174.8	178	61.1	0	0	0	0	110.8	V344	S241-V344 PolarHBondContact N-O 3.28Å; S241-V344 PolarHBondContact O-N 3.43Å
242	Y	95.2	Very high	95.7	Very high	19 Å²	19	47 Å²	47	8%	0.075	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	157	168.9	56.7	-87.7	0	0	0	109.1	M121 F205 D206 I239 Y341 Y342	M121-Y242 HydrophobicContact SD-CE2 4.44Å; M121-Y242 PolarHBondContact SD-OH 3.45Å; F205-Y242 HydrophobicContact CB-CD1 3.37Å; F205-Y242 HydrophobicContact CB-CD2 4.44Å; F205-Y242 HydrophobicContact CB-CE1 3.78Å; F205-Y242 HydrophobicContact CB-CG 3.73Å; F205-Y242 HydrophobicContact CD2-CD1 4.32Å; F205-Y242 HydrophobicContact CD2-CD2 4.08Å; F205-Y242 AromaticContact CD2-CG 3.76Å; F205-Y242 HydrophobicContact CD2-CG 3.76Å; F205-Y242 HydrophobicContact CG-CD1 4.22Å; F205-Y242 HydrophobicContact CG-CG 4.1Å; D206-Y242 VanDerWaalsContact CG-OH 3.3Å; D206-Y242 WeakPolarHBondContact OD1-CE1 3.23Å; D206-Y242 PolarHBondContact OD1-OH 2.86Å; D206-Y242 PolarHBondContact OD2-OH 2.76Å; I239-Y242 HydrophobicContact CD1-CD1 4.22Å; Y242-Y341 HydrophobicContact CD2-CD1 4.3Å; Y242-Y342 VanDerWaalsContact CA-O 3.32Å; Y242-Y342 WeakPolarHBondContact CA-O 3.42Å; Y242-Y342 WeakPolarHBondContact CB-O 3.47Å
243	I	94.1	Very high	95.8	Very high	14 Å²	14	44 Å²	44	7%	0.072	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	133.7	-176	-56.3	-62.7	0	0	0	108.7	L124 N126 Y341 Y342 V344	L124-I243 HydrophobicContact CB-CD1 3.51Å; L124-I243 WeakPolarHBondContact O-CD1 3.44Å; L124-I243 WeakPolarHBondContact O-CG2 3.3Å; N126-I243 HydrophobicContact CB-CG1 4.39Å; I243-Y341 VanDerWaalsContact O-CA 3.25Å; I243-Y341 WeakPolarHBondContact O-CA 3.42Å; I243-Y342 HydrophobicContact CB-CD1 4.22Å; I243-Y342 HydrophobicContact CB-CD2 4.24Å; I243-Y342 HydrophobicContact CB-CE1 3.71Å; I243-Y342 HydrophobicContact CB-CE2 3.72Å; I243-Y342 HydrophobicContact CB-CG 4.48Å; I243-Y342 VanDerWaalsContact CB-CZ 3.45Å; I243-Y342 HydrophobicContact CG1-CD2 4.36Å; I243-Y342 HydrophobicContact CG1-CE1 4.42Å; I243-Y342 HydrophobicContact CG1-CE2 3.59Å; I243-Y342 HydrophobicContact CG2-CE1 3.73Å; I243-Y342 HydrophobicContact CG2-CE2 4.43Å; I243-Y342 PolarHBondContact N-O 3.24Å; I243-Y342 PolarHBondContact O-N 3Å; I243-Y342 VanDerWaalsContact O-N 3.09Å; I243-V344 HydrophobicContact CD1-CG2 4.43Å; I243-V344 HydrophobicContact CG1-CG2 3.79Å
244	Q	94.5	Very high	95.7	Very high	14 Å²	14	39.9 Å²	39.9	7%	0.065	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	121.9	163.9	-172.4	175.9	1.1	0	0	108.4	A340 Y341	Q244-A340 WeakPolarHBondContact CA-O 3.34Å; Q244-Y341 HydrophobicContact CB-CD1 3.76Å; Q244-Y341 HydrophobicContact CB-CE1 3.5Å; Q244-Y341 VanDerWaalsContact CB-CE1 3.5Å; Q244-Y341 HydrophobicContact CG-CD1 4.01Å; Q244-Y341 HydrophobicContact CG-CE1 3.51Å; Q244-Y341 HydrophobicContact CG-CE2 4.41Å; Q244-Y341 PolarHBondContact NE2-OH 3.16Å; Q244-Y341 PolarHBondContact OE1-OH 2.88Å
245	V	92.6	Very high	95.5	Very high	7 Å²	7	35.6 Å²	35.6	4%	0.042	19%	0.189	C	C	.	.	P	Polyproline II helix	trans	-69.2	149.5	175.9	-174.6	0	0	0	0	109.4	E251 A255 A340 Y342	V245-E251 HydrophobicContact CG1-CB 3.87Å; V245-E251 WeakPolarHBondContact CG1-O 3.43Å; V245-A255 HydrophobicContact CG1-CB 4.17Å; V245-A255 HydrophobicContact CG2-CB 3.76Å; V245-A340 HydrophobicContact CB-CB 3.88Å; V245-A340 HydrophobicContact CG2-CB 4.09Å; V245-A340 PolarHBondContact N-O 3.2Å; V245-Y342 HydrophobicContact CG2-CD1 3.93Å; V245-Y342 HydrophobicContact CG2-CE1 3.91Å
246	D	91.6	Very high	95.5	Very high	39 Å²	39	30.6 Å²	30.6	21%	0.209	17%	0.167	C	C	.	.	P	Polyproline II helix	trans	-59.1	143.8	172.9	-81.9	-25.7	0	0	0	110.6	K123 R125 N248 E251	K123-D246 WeakPolarHBondContact CD-OD1 3.27Å; K123-D246 VanDerWaalsContact CE-OD1 3.25Å; K123-D246 WeakPolarHBondContact CE-OD1 3.49Å; K123-D246 IonicContact NZ-OD1 2.68Å; K123-D246 PolarHBondContact NZ-OD1 3.42Å; R125-D246 IonicContact NH2-OD2 3.93Å; D246-N248 PolarHBondContact O-N 2.96Å; D246-E251 HydrophobicContact CB-CB 3.98Å; D246-E251 HydrophobicContact CB-CG 3.88Å
247	D	92.3	Very high	95.4	Very high	69 Å²	69	32.2 Å²	32.2	37%	0.369	17%	0.167	S	C	.	.	S	Bend	trans	-78.7	54.8	-166.5	37.9	-12.6	0	0	0	112.6	K120 K123 A337	K120-D247 IonicContact NZ-OD2 3.15Å; K120-D247 PolarHBondContact NZ-OD2 3.12Å; K120-D247 VanDerWaalsContact NZ-OD2 3.15Å; K123-D247 IonicContact NZ-OD1 3.02Å; K123-D247 PolarHBondContact NZ-OD1 2.85Å; D247-A337 WeakPolarHBondContact CA-O 3.29Å
248	N	94.3	Very high	95.2	Very high	63 Å²	63	33.4 Å²	33.4	34%	0.337	17%	0.173	S	C	.	.	S	Bend	trans	-150.5	155.5	175.4	71.4	81.4	0	0	0	112.4	D246 E250 E251 L252	D246-N248 PolarHBondContact O-N 2.96Å; N248-E250 VanDerWaalsContact C-N 3.33Å; N248-E250 PolarHBondContact O-N 3.4Å; N248-E250 WeakPolarHBondContact OD1-CB 3.3Å; N248-E250 PolarHBondContact OD1-N 3.08Å; N248-E250 VanDerWaalsContact OD1-N 3.15Å; N248-E251 VanDerWaalsContact ND2-CG 3.29Å; N248-E251 WeakPolarHBondContact ND2-CG 3.45Å; N248-E251 PolarHBondContact O-N 3.47Å; N248-E251 WeakPolarHBondContact OD1-CG 3.32Å; N248-E251 PolarHBondContact OD1-N 2.8Å; N248-L252 PolarHBondContact O-N 3.28Å; N248-L252 VanDerWaalsContact O-N 3.13Å
249	E	97.4	Very high	95.1	Very high	18 Å²	18	32 Å²	32	8%	0.084	16%	0.163	C	C	.	.	H	α-helix	trans	-67.9	-27.7	-174.2	-69.7	-168.7	86.6	0	0	113.8	Q253 W308 R328 N329 N332 A337	E249-Q253 WeakPolarHBondContact O-CB 3.44Å; E249-Q253 PolarHBondContact O-N 3.4Å; E249-W308 HydrophobicContact CB-CZ2 4.06Å; E249-W308 HydrophobicContact CG-CZ2 4.3Å; E249-W308 PolarHBondContact OE1-NE1 3.46Å; E249-R328 WeakPolarHBondContact OE1-CA 3.49Å; E249-N329 PolarHBondContact OE1-N 2.99Å; E249-N329 WeakPolarHBondContact OE2-CA 3.42Å; E249-N329 PolarHBondContact OE2-N 3.43Å; E249-N329 VanDerWaalsContact OE2-N 3.11Å; E249-N332 HydrophobicContact CG-CB 4.41Å; E249-N332 WeakPolarHBondContact OE2-CA 3.26Å; E249-N332 PolarHBondContact OE2-N 3.49Å; E249-A337 HydrophobicContact CG-CB 3.96Å
250	E	95.2	Very high	95.1	Very high	106 Å²	106	31.8 Å²	31.8	50%	0.495	16%	0.162	S	C	.	.	H	α-helix	trans	-66.9	-47	177.6	-174.3	-170.5	152.4	0	0	110.9	N248 Q253 K254	N248-E250 VanDerWaalsContact C-N 3.33Å; N248-E250 PolarHBondContact O-N 3.4Å; N248-E250 WeakPolarHBondContact OD1-CB 3.3Å; N248-E250 PolarHBondContact OD1-N 3.08Å; N248-E250 VanDerWaalsContact OD1-N 3.15Å; E250-Q253 WeakPolarHBondContact O-CB 3.45Å; E250-Q253 PolarHBondContact O-N 3.3Å; E250-Q253 VanDerWaalsContact O-N 3.16Å; E250-K254 WeakPolarHBondContact O-CG 3.04Å; E250-K254 PolarHBondContact O-N 2.97Å; E250-K254 WeakPolarHBondContact OE1-CE 3.04Å; E250-K254 IonicContact OE1-NZ 2.74Å; E250-K254 PolarHBondContact OE1-NZ 2.98Å
251	E	94.3	Very high	95.2	Very high	36 Å²	36	28.8 Å²	28.8	17%	0.168	14%	0.142	C	C	.	.	H	α-helix	trans	-69.6	-35.4	178.5	-67.1	-60.3	129.8	0	0	111.8	V245 D246 N248 Q253 K254 A255	V245-E251 HydrophobicContact CG1-CB 3.87Å; V245-E251 WeakPolarHBondContact CG1-O 3.43Å; D246-E251 HydrophobicContact CB-CB 3.98Å; D246-E251 HydrophobicContact CB-CG 3.88Å; N248-E251 VanDerWaalsContact ND2-CG 3.29Å; N248-E251 WeakPolarHBondContact ND2-CG 3.45Å; N248-E251 PolarHBondContact O-N 3.47Å; N248-E251 WeakPolarHBondContact OD1-CG 3.32Å; N248-E251 PolarHBondContact OD1-N 2.8Å; E251-Q253 VanDerWaalsContact C-N 3.32Å; E251-Q253 PolarHBondContact O-N 3.08Å; E251-K254 PolarHBondContact O-N 3.33Å; E251-K254 IonicContact OE1-NZ 2.79Å; E251-K254 PolarHBondContact OE1-NZ 3.42Å; E251-A255 WeakPolarHBondContact O-CB 3.38Å; E251-A255 PolarHBondContact O-N 3.5Å
252	L	96.9	Very high	95.3	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-60.1	-42.9	168.7	178.5	57.6	0	0	0	111.2	N248 A255 V256 I262 V264 W308 I336 A337 A340	N248-L252 PolarHBondContact O-N 3.28Å; N248-L252 VanDerWaalsContact O-N 3.13Å; L252-A255 PolarHBondContact O-N 3.37Å; L252-V256 HydrophobicContact CD1-CG2 4.12Å; L252-V256 HydrophobicContact CG-CG2 4.47Å; L252-V256 WeakPolarHBondContact O-CG2 3.35Å; L252-V256 PolarHBondContact O-N 2.9Å; L252-I262 HydrophobicContact CD1-CB 4.23Å; L252-I262 HydrophobicContact CD1-CG1 4.46Å; L252-I262 HydrophobicContact CD1-CG2 3.89Å; L252-V264 HydrophobicContact CD1-CG1 4.05Å; L252-V264 HydrophobicContact CD2-CG1 4.34Å; L252-W308 HydrophobicContact CB-CH2 4.03Å; L252-W308 HydrophobicContact CB-CZ2 4.29Å; L252-W308 HydrophobicContact CD2-CD2 4.47Å; L252-W308 HydrophobicContact CD2-CH2 3.96Å; L252-W308 HydrophobicContact CD2-CZ2 3.78Å; L252-W308 HydrophobicContact CD2-CZ3 4.39Å; L252-W308 HydrophobicContact CG-CH2 3.7Å; L252-W308 HydrophobicContact CG-CZ2 4.02Å; L252-W308 HydrophobicContact CG-CZ3 4.09Å; L252-I336 HydrophobicContact CD2-CG1 4.42Å; L252-A337 HydrophobicContact CB-CB 4.39Å; L252-A337 HydrophobicContact CD2-CB 4.13Å; L252-A340 HydrophobicContact CD1-CB 3.8Å
253	Q	97.2	Very high	95.5	Very high	21 Å²	21	26.7 Å²	26.7	10%	0.098	13%	0.129	C	C	.	.	H	α-helix	trans	-64.1	-44.7	-179.8	-163.5	-175.6	-4.6	0	0	111.2	I135 E249 E250 E251 A255 V256 Y257 Y299 W308	I135-Q253 HydrophobicContact CD1-CB 4.27Å; I135-Q253 HydrophobicContact CD1-CG 3.84Å; E249-Q253 WeakPolarHBondContact O-CB 3.44Å; E249-Q253 PolarHBondContact O-N 3.4Å; E250-Q253 WeakPolarHBondContact O-CB 3.45Å; E250-Q253 PolarHBondContact O-N 3.3Å; E250-Q253 VanDerWaalsContact O-N 3.16Å; E251-Q253 VanDerWaalsContact C-N 3.32Å; E251-Q253 PolarHBondContact O-N 3.08Å; Q253-A255 VanDerWaalsContact C-N 3.32Å; Q253-A255 PolarHBondContact O-N 3.41Å; Q253-V256 PolarHBondContact O-N 2.68Å; Q253-Y257 PolarHBondContact O-N 3.04Å; Q253-Y299 HydrophobicContact CG-CD1 3.83Å; Q253-Y299 HydrophobicContact CG-CD2 4.43Å; Q253-Y299 HydrophobicContact CG-CE1 3.49Å; Q253-Y299 VanDerWaalsContact CG-CE1 3.49Å; Q253-Y299 HydrophobicContact CG-CE2 4.17Å; Q253-Y299 HydrophobicContact CG-CG 4.28Å; Q253-Y299 VanDerWaalsContact NE2-CE2 3.26Å; Q253-W308 HydrophobicContact CB-CH2 3.73Å; Q253-W308 HydrophobicContact CB-CZ3 4.29Å; Q253-W308 HydrophobicContact CG-CH2 4.25Å; Q253-W308 HydrophobicContact CG-CZ3 4.43Å
254	K	95.3	Very high	95.6	Very high	13 Å²	13	26 Å²	26	6%	0.057	13%	0.126	C	C	.	.	H	α-helix	trans	-61.2	-40.3	174.7	-70.8	174.8	-169.9	160.5	0	111.9	I129 I135 E250 E251 N258	I129-K254 HydrophobicContact CG2-CB 3.92Å; I129-K254 HydrophobicContact CG2-CD 4.3Å; I135-K254 HydrophobicContact CG2-CG 4.31Å; E250-K254 WeakPolarHBondContact O-CG 3.04Å; E250-K254 PolarHBondContact O-N 2.97Å; E250-K254 WeakPolarHBondContact OE1-CE 3.04Å; E250-K254 IonicContact OE1-NZ 2.74Å; E250-K254 PolarHBondContact OE1-NZ 2.98Å; E251-K254 PolarHBondContact O-N 3.33Å; E251-K254 IonicContact OE1-NZ 2.79Å; E251-K254 PolarHBondContact OE1-NZ 3.42Å; K254-N258 VanDerWaalsContact O-CB 3.29Å; K254-N258 WeakPolarHBondContact O-CB 3.25Å; K254-N258 PolarHBondContact O-N 3.02Å; K254-N258 PolarHBondContact O-ND2 3.28Å
255	A	95.4	Very high	95.6	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-64.3	-48.1	176.4	0	0	0	0	0	111.1	V245 E251 L252 Q253 Y257 N258 I259 I262	V245-A255 HydrophobicContact CG1-CB 4.17Å; V245-A255 HydrophobicContact CG2-CB 3.76Å; E251-A255 WeakPolarHBondContact O-CB 3.38Å; E251-A255 PolarHBondContact O-N 3.5Å; L252-A255 PolarHBondContact O-N 3.37Å; Q253-A255 VanDerWaalsContact C-N 3.32Å; Q253-A255 PolarHBondContact O-N 3.41Å; A255-Y257 VanDerWaalsContact C-N 3.32Å; A255-Y257 PolarHBondContact O-N 2.91Å; A255-N258 PolarHBondContact O-N 3.02Å; A255-I259 WeakPolarHBondContact O-CA 3.42Å; A255-I259 WeakPolarHBondContact O-CB 3.28Å; A255-I259 WeakPolarHBondContact O-CG1 3.44Å; A255-I259 PolarHBondContact O-N 3.02Å; A255-I262 HydrophobicContact CB-CD1 4.08Å; A255-I262 HydrophobicContact CB-CG1 4.27Å
256	V	97.2	Very high	95.8	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-57.7	-46	177.3	173.5	0	0	0	0	110.7	V139 W141 L252 Q253 G260 I262 V296 Y299 W308	V139-V256 HydrophobicContact CG1-CG1 4.33Å; W141-V256 WeakPolarHBondContact CZ2-O 3.26Å; W141-V256 PolarHBondContact NE1-O 2.67Å; L252-V256 HydrophobicContact CD1-CG2 4.12Å; L252-V256 HydrophobicContact CG-CG2 4.47Å; L252-V256 WeakPolarHBondContact O-CG2 3.35Å; L252-V256 PolarHBondContact O-N 2.9Å; Q253-V256 PolarHBondContact O-N 2.68Å; V256-G260 WeakPolarHBondContact CA-O 3.39Å; V256-G260 PolarHBondContact O-N 3.47Å; V256-I262 HydrophobicContact CB-CG1 4.49Å; V256-I262 HydrophobicContact CG2-CB 4.35Å; V256-I262 HydrophobicContact CG2-CG1 3.71Å; V256-V296 HydrophobicContact CG1-CG1 4.45Å; V256-V296 HydrophobicContact CG2-CB 4.19Å; V256-V296 HydrophobicContact CG2-CG1 3.59Å; V256-Y299 HydrophobicContact CB-CD1 4.26Å; V256-Y299 HydrophobicContact CB-CE1 4.3Å; V256-Y299 HydrophobicContact CG1-CD1 3.86Å; V256-Y299 HydrophobicContact CG1-CE1 4.08Å; V256-W308 HydrophobicContact CG2-CZ3 4.24Å
257	Y	95.8	Very high	95.9	Very high	92 Å²	92	23.6 Å²	23.6	36%	0.361	11%	0.113	S	C	.	.	H	α-helix	trans	-67.9	-48.6	-179.8	173.9	-122.7	0	0	0	113.5	I135 P136 V139 Q253 A255	I135-Y257 HydrophobicContact CB-CD1 4.21Å; I135-Y257 HydrophobicContact CG2-CD1 3.75Å; I135-Y257 HydrophobicContact CG2-CE1 4.34Å; I135-Y257 HydrophobicContact CG2-CG 4.5Å; P136-Y257 VanDerWaalsContact CD-CD2 3.47Å; P136-Y257 VanDerWaalsContact CD-CZ 3.43Å; P136-Y257 HydrophobicContact CG-CD2 3.51Å; P136-Y257 HydrophobicContact CG-CE2 3.4Å; P136-Y257 VanDerWaalsContact CG-CE2 3.4Å; P136-Y257 HydrophobicContact CG-CG 4.23Å; V139-Y257 HydrophobicContact CG2-CD2 3.77Å; V139-Y257 HydrophobicContact CG2-CG 4.49Å; Q253-Y257 PolarHBondContact O-N 3.04Å; A255-Y257 VanDerWaalsContact C-N 3.32Å; A255-Y257 PolarHBondContact O-N 2.91Å
258	N	94	Very high	95.8	Very high	47 Å²	47	20.4 Å²	20.4	25%	0.251	10%	0.096	S	C	.	.	H	α-helix	trans	-85.7	-21.7	-170.5	-68.6	-66.1	0	0	0	113.9	K254 A255	K254-N258 VanDerWaalsContact O-CB 3.29Å; K254-N258 WeakPolarHBondContact O-CB 3.25Å; K254-N258 PolarHBondContact O-N 3.02Å; K254-N258 PolarHBondContact O-ND2 3.28Å; A255-N258 PolarHBondContact O-N 3.02Å
259	I	95.1	Very high	95.8	Very high	21 Å²	21	18.2 Å²	18.2	11%	0.108	8%	0.084	C	C	.	.	H	α-helix	trans	-114.3	-44.2	-169.2	-52.4	-61.2	0	0	0	112.6	Q171 I174 A255 I262 Y342	Q171-I259 PolarHBondContact NE2-O 3.03Å; I174-I259 VanDerWaalsContact CD1-O 3.3Å; I174-I259 WeakPolarHBondContact CD1-O 3.25Å; A255-I259 WeakPolarHBondContact O-CA 3.42Å; A255-I259 WeakPolarHBondContact O-CB 3.28Å; A255-I259 WeakPolarHBondContact O-CG1 3.44Å; A255-I259 PolarHBondContact O-N 3.02Å; I259-I262 HydrophobicContact CB-CD1 4.36Å; I259-I262 HydrophobicContact CG2-CD1 4.45Å; I259-Y342 HydrophobicContact CD1-CE2 4.44Å; I259-Y342 HydrophobicContact CG1-CE1 4.28Å; I259-Y342 HydrophobicContact CG1-CE2 4.37Å; I259-Y342 HydrophobicContact CG2-CD1 4.34Å; I259-Y342 HydrophobicContact CG2-CD2 3.6Å; I259-Y342 HydrophobicContact CG2-CE2 3.82Å; I259-Y342 HydrophobicContact CG2-CG 3.86Å
260	G	96.5	Very high	95.6	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	9%	0.087	C	C	.	.			trans	135.5	-164.2	-171.4	0	0	0	0	0	113.7	V256 I262	V256-G260 WeakPolarHBondContact CA-O 3.39Å; V256-G260 PolarHBondContact O-N 3.47Å; G260-I262 WeakPolarHBondContact O-CD1 3.4Å; G260-I262 WeakPolarHBondContact O-CG1 3.44Å
261	P	98.3	Very high	95.6	Very high	0 Å²	0	16.2 Å²	16.2	0%	0	8%	0.075	C	C	.	.			trans	-56.8	135.7	169.2	-25.6	35.7	0	0	0	112.6	W141 V147 L295 V296 V297	W141-P261 HydrophobicContact CB-CG 3.94Å; W141-P261 HydrophobicContact CG-CG 4.08Å; V147-P261 HydrophobicContact CG2-CG 4.27Å; P261-L295 HydrophobicContact CB-CD1 3.77Å; P261-L295 HydrophobicContact CB-CD2 3.89Å; P261-L295 HydrophobicContact CB-CG 3.91Å; P261-V296 CarbonylContact C-O 3.55Å; P261-V296 VanDerWaalsContact CA-O 3.27Å; P261-V296 WeakPolarHBondContact CA-O 3.47Å; P261-V297 HydrophobicContact CB-CG1 4.33Å
262	I	98.4	Very high	95.6	Very high	0 Å²	0	14.5 Å²	14.5	0%	0	7%	0.067	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	128.6	-174.7	-52.9	-59.8	0	0	0	109.8	L252 A255 V256 I259 G260 V264 V296 A340 Y341 Y342	L252-I262 HydrophobicContact CD1-CB 4.23Å; L252-I262 HydrophobicContact CD1-CG1 4.46Å; L252-I262 HydrophobicContact CD1-CG2 3.89Å; A255-I262 HydrophobicContact CB-CD1 4.08Å; A255-I262 HydrophobicContact CB-CG1 4.27Å; V256-I262 HydrophobicContact CB-CG1 4.49Å; V256-I262 HydrophobicContact CG2-CB 4.35Å; V256-I262 HydrophobicContact CG2-CG1 3.71Å; I259-I262 HydrophobicContact CB-CD1 4.36Å; I259-I262 HydrophobicContact CG2-CD1 4.45Å; G260-I262 WeakPolarHBondContact O-CD1 3.4Å; G260-I262 WeakPolarHBondContact O-CG1 3.44Å; I262-V264 HydrophobicContact CG2-CG1 4.14Å; I262-V296 PolarHBondContact N-O 3Å; I262-V296 PolarHBondContact O-N 3.17Å; I262-A340 HydrophobicContact CG2-CB 3.98Å; I262-Y341 WeakPolarHBondContact CG2-O 3.43Å; I262-Y342 HydrophobicContact CD1-CD1 3.89Å; I262-Y342 HydrophobicContact CD1-CG 4.14Å
263	A	98.4	Very high	95.5	Very high	0 Å²	0	14.7 Å²	14.7	0%	0	7%	0.068	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	126.5	172.5	0	0	0	0	0	109.2	A163 A167 V201 A340 Y341	A163-A263 HydrophobicContact CB-CB 4.11Å; A167-A263 HydrophobicContact CB-CB 4.01Å; V201-A263 HydrophobicContact CG1-CB 4Å; V201-A263 HydrophobicContact CG2-CB 4.32Å; A263-A340 CarbonylContact O-C 3.54Å; A263-A340 WeakPolarHBondContact O-CA 3.37Å; A263-Y341 PolarHBondContact N-O 3.36Å; A263-Y341 PolarHBondContact O-N 3.33Å
264	V	97.5	Very high	95.5	Very high	0 Å²	0	14 Å²	14	0%	0	7%	0.065	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	170.1	179.8	-57.2	0	0	0	0	110.6	L252 I262 S293 V294 V296 I336 F339 A340	L252-V264 HydrophobicContact CD1-CG1 4.05Å; L252-V264 HydrophobicContact CD2-CG1 4.34Å; I262-V264 HydrophobicContact CG2-CG1 4.14Å; V264-S293 CarbonylContact O-C 3.55Å; V264-S293 VanDerWaalsContact O-CA 3.27Å; V264-S293 WeakPolarHBondContact O-CA 3.32Å; V264-V294 HydrophobicContact CG2-CG2 3.54Å; V264-V294 PolarHBondContact N-O 3.46Å; V264-V294 PolarHBondContact O-N 3.07Å; V264-V296 HydrophobicContact CB-CG2 4.29Å; V264-V296 HydrophobicContact CG1-CG2 3.63Å; V264-V296 HydrophobicContact CG2-CG2 3.64Å; V264-I336 HydrophobicContact CB-CG1 4.36Å; V264-I336 WeakPolarHBondContact CB-O 3.43Å; V264-I336 HydrophobicContact CG2-CD1 4.38Å; V264-I336 HydrophobicContact CG2-CG1 3.87Å; V264-F339 WeakPolarHBondContact CA-O 3.42Å; V264-A340 HydrophobicContact CG1-CB 3.91Å
265	R	94.7	Very high	95.6	Very high	9 Å²	9	13.4 Å²	13.4	3%	0.034	6%	0.062	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	144.6	168	-56	-174.2	74.9	-172.8	19	111	F115 P290 F291 E292 F339	F115-R265 VanDerWaalsContact CZ-NH2 3.3Å; R265-P290 HydrophobicContact CB-CB 4.26Å; R265-P290 PolarHBondContact NH1-O 3.26Å; R265-F291 PolarHBondContact NE-O 2.85Å; R265-F291 VanDerWaalsContact NH2-CA 3.32Å; R265-F291 PolarHBondContact NH2-O 3.05Å; R265-E292 CarbonylContact C-O 3.58Å; R265-E292 VanDerWaalsContact CA-O 3.25Å; R265-E292 WeakPolarHBondContact CA-O 3.22Å; R265-F339 HydrophobicContact CB-CB 4.02Å; R265-F339 HydrophobicContact CB-CD2 4.45Å; R265-F339 HydrophobicContact CG-CB 3.96Å; R265-F339 PolarHBondContact N-O 3.41Å
266	I	95.6	Very high	95.8	Very high	1 Å²	1	13.9 Å²	13.9	1%	0.005	7%	0.068	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	153	177.7	61.7	169.8	0	0	0	111.5	M268 F272 P290 F291 E292 V294 F312 L326 C334 I336	I266-M268 PolarHBondContact O-N 3.35Å; I266-F272 HydrophobicContact CD1-CD1 4.11Å; I266-F272 HydrophobicContact CD1-CE1 3.54Å; I266-F272 HydrophobicContact CD1-CZ 3.8Å; I266-P290 WeakPolarHBondContact O-CA 3.44Å; I266-F291 PolarHBondContact O-N 2.83Å; I266-F291 VanDerWaalsContact O-N 3.16Å; I266-E292 HydrophobicContact CG1-CB 4.1Å; I266-E292 PolarHBondContact N-O 3.39Å; I266-E292 PolarHBondContact O-N 2.76Å; I266-V294 HydrophobicContact CD1-CG1 4.26Å; I266-V294 HydrophobicContact CD1-CG2 4.22Å; I266-V294 HydrophobicContact CG1-CG2 4.23Å; I266-V294 HydrophobicContact CG2-CG2 4.08Å; I266-F312 HydrophobicContact CD1-CE2 3.66Å; I266-F312 HydrophobicContact CD1-CZ 4.09Å; I266-L326 HydrophobicContact CG2-CD2 4.5Å; I266-C334 CarbonylContact C-O 3.56Å; I266-C334 VanDerWaalsContact CA-O 3.29Å; I266-C334 WeakPolarHBondContact CA-O 3.43Å; I266-I336 HydrophobicContact CG2-CB 4Å; I266-I336 HydrophobicContact CG2-CD1 4.23Å; I266-I336 HydrophobicContact CG2-CG1 3.92Å
267	A	94	Very high	95.8	Very high	0 Å²	0	16.1 Å²	16.1	0%	0	8%	0.083	C	C	.	.			trans	-76.5	98.4	162.8	0	0	0	0	0	109.5	F272 C285 E288 C334	A267-F272 WeakPolarHBondContact O-CE2 3.19Å; A267-C285 HydrophobicContact CB-CB 4.46Å; A267-C285 WeakPolarHBondContact CB-O 3.43Å; A267-E288 HydrophobicContact CB-CB 3.76Å; A267-C334 HydrophobicContact CB-CB 4.11Å; A267-C334 PolarHBondContact N-O 3.07Å
268	M	91.2	Very high	96	Very high	2 Å²	2	12 Å²	12	1%	0.01	7%	0.069	C	C	.	.			trans	-71.7	138.8	176.5	-159.3	178.5	176.3	0	0	110.6	W100 F103 I266 F272 L273 F291 E292 F312 L314	W100-M268 WeakPolarHBondContact CH2-O 3.36Å; F103-M268 HydrophobicContact CE1-CE 4.49Å; F103-M268 HydrophobicContact CE1-SD 4.16Å; F103-M268 HydrophobicContact CZ-CE 4.21Å; F103-M268 HydrophobicContact CZ-SD 4.17Å; I266-M268 PolarHBondContact O-N 3.35Å; M268-F272 HydrophobicContact CE-CB 4.21Å; M268-F272 HydrophobicContact CG-CB 4.08Å; M268-F272 HydrophobicContact CG-CD2 4.04Å; M268-F272 HydrophobicContact CG-CG 4.15Å; M268-L273 HydrophobicContact CE-CD2 3.41Å; M268-L273 VanDerWaalsContact CE-CD2 3.41Å; M268-L273 HydrophobicContact CE-CG 3.96Å; M268-F291 HydrophobicContact CB-CD1 4.49Å; M268-F291 HydrophobicContact CB-CE1 3.35Å; M268-F291 HydrophobicContact CB-CZ 3.39Å; M268-F291 HydrophobicContact CG-CZ 4.23Å; M268-F291 HydrophobicContact SD-CZ 3.86Å; M268-E292 HydrophobicContact CB-CB 4.12Å; M268-E292 HydrophobicContact SD-CB 4.35Å; M268-E292 HydrophobicContact SD-CG 4.09Å; M268-F312 HydrophobicContact CE-CE1 4.08Å; M268-F312 HydrophobicContact CE-CZ 4.13Å; M268-F312 HydrophobicContact SD-CZ 4.31Å; M268-L314 HydrophobicContact CE-CD1 4.1Å
269	T	92.9	Very high	96.2	Very high	16 Å²	16	9.9 Å²	9.9	10%	0.098	6%	0.057	C	C	.	.			trans	-125.9	172.9	173.7	71.9	0	0	0	0	110.3	E271 F272 I282 C285	T269-E271 PolarHBondContact O-N 3.32Å; T269-E271 VanDerWaalsContact O-N 3.12Å; T269-E271 PolarHBondContact OG1-N 2.89Å; T269-F272 HydrophobicContact CG2-CE2 4.48Å; T269-F272 PolarHBondContact O-N 3.18Å; T269-I282 HydrophobicContact CG2-CG2 4.25Å; T269-C285 HydrophobicContact CG2-CB 3.6Å
270	Q	93.2	Very high	96.3	Very high	32 Å²	32	8.9 Å²	8.9	15%	0.15	5%	0.052	C	C	.	.	H	α-helix	trans	-56.4	-29	175.1	-173.4	172.5	13.9	0	0	112.6	N70 K73 W100 F272 L273	N70-Q270 PolarHBondContact OD1-NE2 2.68Å; K73-Q270 VanDerWaalsContact NZ-OE1 3.12Å; W100-Q270 HydrophobicContact CB-CB 4.13Å; W100-Q270 HydrophobicContact CB-CG 4.04Å; W100-Q270 HydrophobicContact CD2-CB 3.68Å; W100-Q270 HydrophobicContact CD2-CG 4.39Å; W100-Q270 HydrophobicContact CE3-CB 3.95Å; W100-Q270 HydrophobicContact CE3-CG 4.48Å; W100-Q270 HydrophobicContact CG-CB 3.74Å; W100-Q270 HydrophobicContact CG-CG 4.21Å; Q270-F272 VanDerWaalsContact C-N 3.25Å; Q270-F272 PolarHBondContact O-N 3.45Å; Q270-L273 PolarHBondContact O-N 2.85Å
271	E	95.3	Very high	96.3	Very high	50 Å²	50	10.4 Å²	10.4	23%	0.234	6%	0.06	C	C	.	.	H	α-helix	trans	-61	-34.9	-176.7	-57.3	-55.7	125.3	0	0	112.2	Y88 K90 T269 T274 Y275 L280 I282	Y88-E271 PolarHBondContact OH-OE2 2.89Å; K90-E271 WeakPolarHBondContact CE-OE2 3.42Å; K90-E271 VanDerWaalsContact NZ-CD 3.33Å; K90-E271 IonicContact NZ-OE1 3.63Å; K90-E271 PolarHBondContact NZ-OE1 3.09Å; K90-E271 IonicContact NZ-OE2 2.58Å; K90-E271 PolarHBondContact NZ-OE2 2.84Å; T269-E271 PolarHBondContact O-N 3.32Å; T269-E271 VanDerWaalsContact O-N 3.12Å; T269-E271 PolarHBondContact OG1-N 2.89Å; E271-T274 PolarHBondContact O-N 2.91Å; E271-Y275 PolarHBondContact O-N 3.44Å; E271-L280 HydrophobicContact CB-CD1 4.34Å; E271-I282 HydrophobicContact CB-CD1 4.01Å; E271-I282 HydrophobicContact CB-CG1 4Å; E271-I282 HydrophobicContact CG-CG1 4.27Å; E271-I282 HydrophobicContact CG-CG2 4.31Å
272	F	95.9	Very high	96.2	Very high	0 Å²	0	11.2 Å²	11.2	0%	0	6%	0.064	C	C	.	.	H	α-helix	trans	-62	-46.7	177.8	-69.4	-91.6	0	0	0	111.6	I266 A267 M268 T269 Q270 T274 Y275 L280 I282 F312 F318 I324 L326 C334	I266-F272 HydrophobicContact CD1-CD1 4.11Å; I266-F272 HydrophobicContact CD1-CE1 3.54Å; I266-F272 HydrophobicContact CD1-CZ 3.8Å; A267-F272 WeakPolarHBondContact O-CE2 3.19Å; M268-F272 HydrophobicContact CE-CB 4.21Å; M268-F272 HydrophobicContact CG-CB 4.08Å; M268-F272 HydrophobicContact CG-CD2 4.04Å; M268-F272 HydrophobicContact CG-CG 4.15Å; T269-F272 HydrophobicContact CG2-CE2 4.48Å; T269-F272 PolarHBondContact O-N 3.18Å; Q270-F272 VanDerWaalsContact C-N 3.25Å; Q270-F272 PolarHBondContact O-N 3.45Å; F272-T274 PolarHBondContact O-N 2.8Å; F272-Y275 WeakPolarHBondContact O-CB 3.21Å; F272-Y275 PolarHBondContact O-N 2.95Å; F272-L280 HydrophobicContact CD1-CD2 3.75Å; F272-L280 HydrophobicContact CE1-CD2 3.73Å; F272-L280 HydrophobicContact CG-CD2 4.27Å; F272-L280 HydrophobicContact CZ-CD2 4.27Å; F272-I282 HydrophobicContact CD2-CD1 3.87Å; F272-I282 HydrophobicContact CE1-CD1 4.46Å; F272-I282 HydrophobicContact CE2-CD1 3.3Å; F272-I282 HydrophobicContact CZ-CD1 3.65Å; F272-F312 AromaticContact CD1-CE2 3.85Å; F272-F312 HydrophobicContact CD1-CE2 3.85Å; F272-F312 HydrophobicContact CD1-CZ 4.32Å; F272-F312 HydrophobicContact CE1-CE2 4.4Å; F272-F318 WeakPolarHBondContact O-CE2 3.24Å; F272-F318 WeakPolarHBondContact O-CZ 3.06Å; F272-I324 HydrophobicContact CD1-CD1 3.64Å; F272-I324 HydrophobicContact CE1-CD1 3.51Å; F272-L326 HydrophobicContact CE1-CD1 4.11Å; F272-L326 HydrophobicContact CZ-CD1 4.05Å; F272-C334 HydrophobicContact CZ-CB 4.42Å
273	L	94.2	Very high	95.7	Very high	5 Å²	5	17 Å²	17	3%	0.026	10%	0.095	C	C	.	.	H	α-helix	trans	-59.2	-24.3	-173.9	-67.8	176.9	0	0	0	113.9	N93 Y95 I98 W100 M268 Q270 L314	N93-L273 PolarHBondContact ND2-O 2.78Å; N93-L273 PolarHBondContact OD1-O 2.77Å; Y95-L273 HydrophobicContact CG-CD2 4.36Å; I98-L273 HydrophobicContact CB-CD1 4.21Å; I98-L273 HydrophobicContact CD1-CD1 4.2Å; I98-L273 HydrophobicContact CD1-CD2 4.39Å; I98-L273 HydrophobicContact CG2-CD1 3.78Å; W100-L273 HydrophobicContact CE3-CD1 3.82Å; W100-L273 HydrophobicContact CZ3-CD1 4.03Å; M268-L273 HydrophobicContact CE-CD2 3.41Å; M268-L273 VanDerWaalsContact CE-CD2 3.41Å; M268-L273 HydrophobicContact CE-CG 3.96Å; Q270-L273 PolarHBondContact O-N 2.85Å; L273-L314 HydrophobicContact CD2-CD1 4.31Å
274	T	96.5	Very high	94.9	Very high	5 Å²	5	22.6 Å²	22.6	3%	0.031	13%	0.125	C	C	.	.	T	Hydrogen-bonded Turn	trans	-111.4	6.8	-179.4	58.1	0	0	0	0	113.3	I74 K90 S91 E271 F272	I74-T274 HydrophobicContact CD1-CG2 4.11Å; I74-T274 HydrophobicContact CG1-CG2 4.3Å; K90-T274 CarbonylContact C-O 3.58Å; K90-T274 WeakPolarHBondContact CA-O 3.48Å; K90-T274 VanDerWaalsContact CB-O 3.24Å; K90-T274 WeakPolarHBondContact CB-O 3.4Å; K90-T274 VanDerWaalsContact CD-OG1 3.32Å; K90-T274 WeakPolarHBondContact CD-OG1 3.19Å; S91-T274 PolarHBondContact N-O 3.27Å; E271-T274 PolarHBondContact O-N 2.91Å; F272-T274 PolarHBondContact O-N 2.8Å
275	Y	98.3	Very high	94.7	Very high	1 Å²	1	22.6 Å²	22.6	0%	0.004	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-57.7	141.3	178.4	173.2	-88	0	0	0	111	Y88 E271 F272 G278 L280 G319 Y323 I324 K325	Y88-Y275 HydrophobicContact CD2-CD2 4.21Å; E271-Y275 PolarHBondContact O-N 3.44Å; F272-Y275 WeakPolarHBondContact O-CB 3.21Å; F272-Y275 PolarHBondContact O-N 2.95Å; Y275-G278 VanDerWaalsContact CE2-O 3.31Å; Y275-G278 WeakPolarHBondContact CE2-O 3.46Å; Y275-G278 PolarHBondContact OH-O 3.36Å; Y275-L280 HydrophobicContact CD2-CB 3.98Å; Y275-L280 HydrophobicContact CD2-CD1 4.22Å; Y275-L280 HydrophobicContact CD2-CD2 4.09Å; Y275-L280 HydrophobicContact CD2-CG 4.32Å; Y275-L280 HydrophobicContact CE2-CB 4Å; Y275-G319 WeakPolarHBondContact O-CA 3.46Å; Y275-Y323 VanDerWaalsContact CE1-O 3.32Å; Y275-Y323 WeakPolarHBondContact CE1-O 3.33Å; Y275-I324 HydrophobicContact CD1-CB 3.97Å; Y275-I324 HydrophobicContact CD1-CG2 3.43Å; Y275-I324 VanDerWaalsContact CD1-CG2 3.43Å; Y275-I324 HydrophobicContact CE1-CB 3.82Å; Y275-I324 HydrophobicContact CE1-CG2 3.72Å; Y275-I324 HydrophobicContact CE2-CB 4.38Å; Y275-I324 HydrophobicContact CG-CB 4.35Å; Y275-I324 HydrophobicContact CG-CG2 3.91Å; Y275-K325 PolarHBondContact OH-N 2.78Å; Y275-K325 VanDerWaalsContact OH-N 3.15Å
276	G	98.3	Very high	94.4	Very high	11 Å²	11	25.5 Å²	25.5	11%	0.113	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	-58.7	175.3	0	0	0	0	0	112.6	R89 G319 D320	R89-G276 WeakPolarHBondContact O-CA 3.46Å; R89-G276 PolarHBondContact O-N 2.99Å; G276-G319 CarbonylContact O-C 3.45Å; G276-G319 VanDerWaalsContact O-C 3.29Å; G276-D320 PolarHBondContact O-N 2.86Å
277	S	98.4	Very high	94	Very high	47 Å²	47	32 Å²	32	33%	0.329	17%	0.174	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-161.3	170.7	-176.9	63.6	0	0	0	0	112.4	Y88 R89	Y88-S277 CarbonylContact C-O 3.44Å; Y88-S277 WeakPolarHBondContact CA-O 3.44Å; Y88-S277 WeakPolarHBondContact CB-O 3.19Å; R89-S277 PolarHBondContact N-O 3.46Å; R89-S277 PolarHBondContact O-N 3.32Å
278	G	98.6	Very high	93.6	Very high	5 Å²	5	34.9 Å²	34.9	5%	0.052	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	82.2	-177.5	-177.3	0	0	0	0	0	113	Y275 E302	Y275-G278 VanDerWaalsContact CE2-O 3.31Å; Y275-G278 WeakPolarHBondContact CE2-O 3.46Å; Y275-G278 PolarHBondContact OH-O 3.36Å; G278-E302 WeakPolarHBondContact CA-OE1 3.47Å
279	V	98.7	Very high	93.2	Very high	2 Å²	2	39.1 Å²	39.1	1%	0.012	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89	115	-176.8	-171	0	0	0	0	110.7	T87 L281 E302 I305 Y307 K325 A327	T87-V279 WeakPolarHBondContact CB-O 3.33Å; T87-V279 PolarHBondContact O-N 3.49Å; T87-V279 PolarHBondContact OG1-O 3.05Å; V279-L281 HydrophobicContact CB-CD1 4.22Å; V279-L281 HydrophobicContact CG1-CD1 3.88Å; V279-L281 WeakPolarHBondContact O-CD1 3.21Å; V279-L281 PolarHBondContact O-N 3.34Å; V279-E302 HydrophobicContact CG2-CB 3.88Å; V279-E302 HydrophobicContact CG2-CG 4.41Å; V279-I305 HydrophobicContact CB-CB 4.38Å; V279-I305 HydrophobicContact CB-CG2 3.96Å; V279-I305 HydrophobicContact CG1-CB 4.43Å; V279-I305 HydrophobicContact CG1-CG2 3.56Å; V279-I305 HydrophobicContact CG2-CB 4.27Å; V279-I305 HydrophobicContact CG2-CG2 4.27Å; V279-Y307 HydrophobicContact CG2-CD1 4.09Å; V279-Y307 HydrophobicContact CG2-CG 4.42Å; V279-K325 HydrophobicContact CG2-CB 4.43Å; V279-A327 HydrophobicContact CG1-CB 4.05Å
280	L	98.3	Very high	92.9	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.7	107.7	-179.9	-175.9	58	0	0	0	110.5	Y88 E271 F272 Y275 I282 I324 K325 L326 A327	Y88-L280 HydrophobicContact CD1-CD1 3.99Å; Y88-L280 HydrophobicContact CD2-CD1 3.76Å; Y88-L280 HydrophobicContact CE1-CD1 3.67Å; Y88-L280 HydrophobicContact CE2-CD1 3.42Å; Y88-L280 VanDerWaalsContact CE2-CD1 3.42Å; Y88-L280 HydrophobicContact CG-CD1 4.01Å; E271-L280 HydrophobicContact CB-CD1 4.34Å; F272-L280 HydrophobicContact CD1-CD2 3.75Å; F272-L280 HydrophobicContact CE1-CD2 3.73Å; F272-L280 HydrophobicContact CG-CD2 4.27Å; F272-L280 HydrophobicContact CZ-CD2 4.27Å; Y275-L280 HydrophobicContact CD2-CB 3.98Å; Y275-L280 HydrophobicContact CD2-CD1 4.22Å; Y275-L280 HydrophobicContact CD2-CD2 4.09Å; Y275-L280 HydrophobicContact CD2-CG 4.32Å; Y275-L280 HydrophobicContact CE2-CB 4Å; L280-I282 HydrophobicContact CD1-CD1 4.11Å; L280-I282 HydrophobicContact CD1-CG1 3.85Å; L280-I282 HydrophobicContact CD2-CD1 3.93Å; L280-I282 HydrophobicContact CG-CD1 3.85Å; L280-I282 HydrophobicContact CG-CG1 3.91Å; L280-I324 HydrophobicContact CD2-CD1 4.31Å; L280-K325 WeakPolarHBondContact CB-O 3.48Å; L280-K325 PolarHBondContact N-O 3.48Å; L280-L326 HydrophobicContact CB-CD1 4.33Å; L280-L326 HydrophobicContact CD2-CD1 4.15Å; L280-L326 HydrophobicContact CG-CD1 4.2Å; L280-A327 WeakPolarHBondContact O-CB 3.46Å; L280-A327 PolarHBondContact O-N 2.9Å
281	L	96.8	Very high	92.6	Very high	33 Å²	33	38 Å²	38	17%	0.173	20%	0.203	C	C	.	.			trans	-110.8	119.4	170.3	-83.4	84.1	0	0	0	109	T87 V279 I305 A327 Y330	T87-L281 HydrophobicContact CG2-CD1 4.27Å; T87-L281 VanDerWaalsContact OG1-CD1 3.29Å; T87-L281 WeakPolarHBondContact OG1-CD1 3.39Å; V279-L281 HydrophobicContact CB-CD1 4.22Å; V279-L281 HydrophobicContact CG1-CD1 3.88Å; V279-L281 WeakPolarHBondContact O-CD1 3.21Å; V279-L281 PolarHBondContact O-N 3.34Å; L281-I305 HydrophobicContact CD1-CD1 4.21Å; L281-I305 HydrophobicContact CD1-CG2 3.83Å; L281-A327 HydrophobicContact CD1-CB 3.68Å; L281-A327 HydrophobicContact CG-CB 3.64Å; L281-Y330 HydrophobicContact CD2-CD1 3.88Å; L281-Y330 HydrophobicContact CD2-CE1 3.59Å; L281-Y330 HydrophobicContact CD2-CG 4.5Å
282	I	95.5	Very high	92.5	Very high	16 Å²	16	35.8 Å²	35.8	8%	0.082	19%	0.192	C	C	.	.			trans	-115.9	124.3	-176	-59.9	167	0	0	0	108.8	T269 E271 F272 L280 D284 C285 M333	T269-I282 HydrophobicContact CG2-CG2 4.25Å; E271-I282 HydrophobicContact CB-CD1 4.01Å; E271-I282 HydrophobicContact CB-CG1 4Å; E271-I282 HydrophobicContact CG-CG1 4.27Å; E271-I282 HydrophobicContact CG-CG2 4.31Å; F272-I282 HydrophobicContact CD2-CD1 3.87Å; F272-I282 HydrophobicContact CE1-CD1 4.46Å; F272-I282 HydrophobicContact CE2-CD1 3.3Å; F272-I282 HydrophobicContact CZ-CD1 3.65Å; L280-I282 HydrophobicContact CD1-CD1 4.11Å; L280-I282 HydrophobicContact CD1-CG1 3.85Å; L280-I282 HydrophobicContact CD2-CD1 3.93Å; L280-I282 HydrophobicContact CG-CD1 3.85Å; L280-I282 HydrophobicContact CG-CG1 3.91Å; I282-D284 VanDerWaalsContact C-N 3.28Å; I282-D284 PolarHBondContact O-N 2.84Å; I282-C285 HydrophobicContact CB-CB 4.46Å; I282-C285 HydrophobicContact CG2-CB 3.97Å; I282-M333 HydrophobicContact CB-SD 4.26Å
283	D	87.8	Confident	92.5	Very high	122 Å²	122	35.8 Å²	35.8	65%	0.652	19%	0.192	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72.9	-17.6	-172	-64.7	-45	0	0	0	113.3	K86	K86-D283 IonicContact NZ-OD2 3.3Å; K86-D283 PolarHBondContact NZ-OD2 3.15Å; K86-D283 VanDerWaalsContact NZ-OD2 3.1Å
284	D	82.3	Confident	92.6	Very high	117 Å²	117	35.6 Å²	35.6	63%	0.626	19%	0.192	S	C	*	.	T	Hydrogen-bonded Turn	trans	-140.5	23.5	-167.1	-70.1	-52.1	0	0	0	116.6	I282 Q286	I282-D284 VanDerWaalsContact C-N 3.28Å; I282-D284 PolarHBondContact O-N 2.84Å; D284-Q286 VanDerWaalsContact C-N 3.33Å; D284-Q286 PolarHBondContact O-N 3.47Å
285	C	92.6	Very high	92.7	Very high	1 Å²	1	35.4 Å²	35.4	1%	0.007	19%	0.19	C	C	.	.	G	3₁₀ helix	trans	-84.2	-2.5	179	62.9	0	0	0	0	114.9	A267 T269 I282 C334	A267-C285 HydrophobicContact CB-CB 4.46Å; A267-C285 WeakPolarHBondContact CB-O 3.43Å; T269-C285 HydrophobicContact CG2-CB 3.6Å; I282-C285 HydrophobicContact CB-CB 4.46Å; I282-C285 HydrophobicContact CG2-CB 3.97Å; C285-C334 HydrophobicContact CB-CB 3.7Å; C285-C334 WeakPolarHBondContact CB-SG 3.3Å; C285-C334 WeakPolarHBondContact SG-CA 3.39Å; C285-C334 WeakPolarHBondContact SG-CB 3.3Å; C285-C334 PolarHBondContact SG-N 3.43Å; C285-C334 CovalentContact SG-SG 2.04Å; C285-C334 PolarHBondContact SG-SG 2.95Å
286	Q	89.1	Confident	92.8	Very high	69 Å²	69	35.4 Å²	35.4	32%	0.322	19%	0.19	S	C	.	.	G	3₁₀ helix	trans	-75.1	-24.7	-178.5	-63.7	-61.4	-14	0	0	113.6	D284 E288 K331 N332 H335	D284-Q286 VanDerWaalsContact C-N 3.33Å; D284-Q286 PolarHBondContact O-N 3.47Å; Q286-E288 VanDerWaalsContact C-N 3.31Å; Q286-K331 PolarHBondContact NE2-O 3Å; Q286-N332 PolarHBondContact NE2-O 2.97Å; Q286-H335 PolarHBondContact O-CE1 3.32Å; Q286-H335 PolarHBondContact O-NE2 2.8Å; Q286-H335 PolarHBondContact OE1-CE1 3.2Å
287	N	86	Confident	92.8	Very high	139 Å²	139	34.9 Å²	34.9	74%	0.743	19%	0.185	S	C	*	.	G	3₁₀ helix	trans	-84.9	-7.9	179.4	-62.5	-42.2	0	0	0	113
288	E	85.3	Confident	92.8	Very high	59 Å²	59	32.6 Å²	32.6	28%	0.276	17%	0.169	S	C	.	.	S	Bend	trans	-92.2	148.6	-178.7	-62.5	-59.4	158.2	0	0	110.9	Y104 A267 Q286 H335	Y104-E288 WeakPolarHBondContact CE2-OE2 3.22Å; Y104-E288 PolarHBondContact OH-OE2 3.39Å; A267-E288 HydrophobicContact CB-CB 3.76Å; Q286-E288 VanDerWaalsContact C-N 3.31Å; E288-H335 PolarHBondContact O-CD2 2.99Å; E288-H335 VanDerWaalsContact O-CD2 3.27Å; E288-H335 PolarHBondContact O-NE2 3.12Å; E288-H335 VanDerWaalsContact O-NE2 3.12Å
289	E	84.3	Confident	92.8	Very high	92 Å²	92	32.4 Å²	32.4	43%	0.43	17%	0.167	S	C	.	.	P	Polyproline II helix	trans	-79.8	130.7	175.9	-72	-178.7	161.9	0	0	110	N112 F291	N112-E289 WeakPolarHBondContact CB-OE2 3.4Å; N112-E289 VanDerWaalsContact CG-OE2 3.29Å; N112-E289 WeakPolarHBondContact ND2-CB 3.34Å; N112-E289 PolarHBondContact ND2-OE2 3.07Å; E289-F291 PolarHBondContact O-N 3.24Å
290	P	85.9	Confident	92.8	Very high	20 Å²	20	32.3 Å²	32.3	13%	0.13	17%	0.166	C	C	.	.	P	Polyproline II helix	trans	-69.8	119.3	177.2	26.9	-32	0	0	0	110.8	R265 I266 H335 F339	R265-P290 HydrophobicContact CB-CB 4.26Å; R265-P290 PolarHBondContact NH1-O 3.26Å; I266-P290 WeakPolarHBondContact O-CA 3.44Å; P290-H335 HydrophobicContact CB-CB 4.05Å; P290-H335 HydrophobicContact CG-CB 3.98Å; P290-F339 HydrophobicContact CB-CD2 4.42Å; P290-F339 HydrophobicContact CG-CD2 3.85Å; P290-F339 HydrophobicContact CG-CE2 3.55Å
291	F	86.6	Confident	92.8	Very high	4 Å²	4	35.7 Å²	35.7	2%	0.018	18%	0.184	C	C	.	.			trans	-125.8	-36	-178.2	77.2	-82.9	0	0	0	112.7	I108 N112 E198 R265 I266 M268 E289	I108-F291 HydrophobicContact CB-CD1 4.26Å; I108-F291 HydrophobicContact CB-CE1 4.17Å; I108-F291 HydrophobicContact CB-CZ 4.39Å; I108-F291 HydrophobicContact CD1-CD1 4.09Å; I108-F291 HydrophobicContact CD1-CE1 3.2Å; I108-F291 HydrophobicContact CD1-CE2 4.24Å; I108-F291 HydrophobicContact CD1-CZ 3.31Å; I108-F291 HydrophobicContact CG1-CD1 3.98Å; I108-F291 HydrophobicContact CG1-CD2 4.22Å; I108-F291 HydrophobicContact CG1-CE1 3.43Å; I108-F291 VanDerWaalsContact CG1-CE1 3.43Å; I108-F291 HydrophobicContact CG1-CE2 3.73Å; I108-F291 HydrophobicContact CG1-CG 4.34Å; I108-F291 HydrophobicContact CG1-CZ 3.3Å; I108-F291 HydrophobicContact CG2-CD1 3.5Å; I108-F291 VanDerWaalsContact CG2-CD1 3.5Å; I108-F291 HydrophobicContact CG2-CE1 3.78Å; I108-F291 HydrophobicContact CG2-CG 3.93Å; I108-F291 HydrophobicContact CG2-CZ 4.46Å; N112-F291 WeakPolarHBondContact OD1-CB 3.27Å; E198-F291 HydrophobicContact CG-CD2 4.47Å; R265-F291 PolarHBondContact NE-O 2.85Å; R265-F291 VanDerWaalsContact NH2-CA 3.32Å; R265-F291 PolarHBondContact NH2-O 3.05Å; I266-F291 PolarHBondContact O-N 2.83Å; I266-F291 VanDerWaalsContact O-N 3.16Å; M268-F291 HydrophobicContact CB-CD1 4.49Å; M268-F291 HydrophobicContact CB-CE1 3.35Å; M268-F291 HydrophobicContact CB-CZ 3.39Å; M268-F291 HydrophobicContact CG-CZ 4.23Å; M268-F291 HydrophobicContact SD-CZ 3.86Å; E289-F291 PolarHBondContact O-N 3.24Å
292	E	92.7	Very high	92.9	Very high	3 Å²	3	36.3 Å²	36.3	1%	0.014	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	125.1	-173.8	-174.1	62.3	-144.8	0	0	110.4	Q153 S159 R265 I266 M268 V294 F312 N313	Q153-E292 PolarHBondContact NE2-OE1 2.82Å; S159-E292 WeakPolarHBondContact CB-OE1 3.21Å; R265-E292 CarbonylContact C-O 3.58Å; R265-E292 VanDerWaalsContact CA-O 3.25Å; R265-E292 WeakPolarHBondContact CA-O 3.22Å; I266-E292 HydrophobicContact CG1-CB 4.1Å; I266-E292 PolarHBondContact N-O 3.39Å; I266-E292 PolarHBondContact O-N 2.76Å; M268-E292 HydrophobicContact CB-CB 4.12Å; M268-E292 HydrophobicContact SD-CB 4.35Å; M268-E292 HydrophobicContact SD-CG 4.09Å; E292-V294 HydrophobicContact CG-CG1 4.09Å; E292-F312 HydrophobicContact CG-CE1 4.19Å; E292-F312 HydrophobicContact CG-CZ 3.95Å; E292-N313 PolarHBondContact OE1-ND2 3.35Å; E292-N313 PolarHBondContact OE1-OD1 3.43Å
293	S	95.6	Very high	92.9	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	128.2	177.8	-49	0	0	0	0	111.2	S159 V264 N313	S159-S293 WeakPolarHBondContact CB-O 3.43Å; S159-S293 PolarHBondContact OG-N 3.47Å; V264-S293 CarbonylContact O-C 3.55Å; V264-S293 VanDerWaalsContact O-CA 3.27Å; V264-S293 WeakPolarHBondContact O-CA 3.32Å; S293-N313 PolarHBondContact O-ND2 3.46Å
294	V	98	Very high	93.4	Very high	2 Å²	2	43 Å²	43	1%	0.012	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	171.3	-175.7	-63.1	0	0	0	0	110.3	V264 I266 E292 V310 F312	V264-V294 HydrophobicContact CG2-CG2 3.54Å; V264-V294 PolarHBondContact N-O 3.46Å; V264-V294 PolarHBondContact O-N 3.07Å; I266-V294 HydrophobicContact CD1-CG1 4.26Å; I266-V294 HydrophobicContact CD1-CG2 4.22Å; I266-V294 HydrophobicContact CG1-CG2 4.23Å; I266-V294 HydrophobicContact CG2-CG2 4.08Å; E292-V294 HydrophobicContact CG-CG1 4.09Å; V294-V310 HydrophobicContact CB-CG1 3.67Å; V294-V310 HydrophobicContact CG1-CG1 4.47Å; V294-V310 HydrophobicContact CG2-CG1 3.45Å; V294-V310 VanDerWaalsContact CG2-CG1 3.45Å; V294-F312 HydrophobicContact CG1-CD1 4.44Å; V294-F312 HydrophobicContact CG1-CD2 3.75Å; V294-F312 HydrophobicContact CG1-CE1 4.36Å; V294-F312 HydrophobicContact CG1-CE2 3.66Å; V294-F312 HydrophobicContact CG1-CG 4.17Å; V294-F312 HydrophobicContact CG1-CZ 3.98Å
295	L	98.7	Very high	94.1	Very high	1 Å²	1	38.5 Å²	38.5	1%	0.005	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	119.3	-177.2	-175	80.3	0	0	0	111	E166 A167 P261 V297 V310 K311	E166-L295 HydrophobicContact CB-CD1 4.31Å; E166-L295 HydrophobicContact CB-CD2 3.74Å; E166-L295 HydrophobicContact CB-CG 4.48Å; A167-L295 HydrophobicContact CB-CD1 3.83Å; P261-L295 HydrophobicContact CB-CD1 3.77Å; P261-L295 HydrophobicContact CB-CD2 3.89Å; P261-L295 HydrophobicContact CB-CG 3.91Å; L295-V297 HydrophobicContact CD2-CG1 3.51Å; L295-V297 HydrophobicContact CG-CG1 3.87Å; L295-V297 PolarHBondContact O-N 3.22Å; L295-V310 CarbonylContact O-C 3.59Å; L295-V310 WeakPolarHBondContact O-CA 3.43Å; L295-K311 HydrophobicContact CB-CB 4.19Å; L295-K311 HydrophobicContact CD2-CB 4.41Å; L295-K311 HydrophobicContact CD2-CD 4.1Å; L295-K311 PolarHBondContact N-O 2.97Å; L295-K311 PolarHBondContact O-N 3.31Å
296	V	98.8	Very high	94.4	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	117.4	168.3	-177.7	0	0	0	0	108.1	V256 P261 I262 V264 W308 V310 I336	V256-V296 HydrophobicContact CG1-CG1 4.45Å; V256-V296 HydrophobicContact CG2-CB 4.19Å; V256-V296 HydrophobicContact CG2-CG1 3.59Å; P261-V296 CarbonylContact C-O 3.55Å; P261-V296 VanDerWaalsContact CA-O 3.27Å; P261-V296 WeakPolarHBondContact CA-O 3.47Å; I262-V296 PolarHBondContact N-O 3Å; I262-V296 PolarHBondContact O-N 3.17Å; V264-V296 HydrophobicContact CB-CG2 4.29Å; V264-V296 HydrophobicContact CG1-CG2 3.63Å; V264-V296 HydrophobicContact CG2-CG2 3.64Å; V296-W308 HydrophobicContact CG1-CD2 4.47Å; V296-W308 HydrophobicContact CG1-CE3 3.71Å; V296-W308 HydrophobicContact CG1-CZ3 4.34Å; V296-V310 HydrophobicContact CG2-CG2 4.32Å; V296-I336 HydrophobicContact CG2-CD1 4.08Å; V296-I336 HydrophobicContact CG2-CG1 4.41Å
297	V	98.7	Very high	94.9	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	1.6	-179.6	-61.2	0	0	0	0	112.6	W141 R142 V147 P261 L295 L309 K311 Y323	W141-V297 HydrophobicContact CB-CB 4.47Å; W141-V297 VanDerWaalsContact CB-O 3.27Å; W141-V297 WeakPolarHBondContact CB-O 3.47Å; W141-V297 PolarHBondContact N-O 2.89Å; R142-V297 HydrophobicContact CG-CG2 4.47Å; V147-V297 HydrophobicContact CG1-CG1 4.13Å; V147-V297 HydrophobicContact CG2-CB 4.12Å; V147-V297 HydrophobicContact CG2-CG1 3.79Å; P261-V297 HydrophobicContact CB-CG1 4.33Å; L295-V297 HydrophobicContact CD2-CG1 3.51Å; L295-V297 HydrophobicContact CG-CG1 3.87Å; L295-V297 PolarHBondContact O-N 3.22Å; V297-L309 HydrophobicContact CG2-CB 4.24Å; V297-L309 HydrophobicContact CG2-CD2 3.74Å; V297-L309 HydrophobicContact CG2-CG 3.65Å; V297-L309 WeakPolarHBondContact CG2-O 3.42Å; V297-L309 PolarHBondContact N-O 3.48Å; V297-K311 HydrophobicContact CG1-CB 4.06Å; V297-Y323 HydrophobicContact CG2-CD1 4.14Å; V297-Y323 HydrophobicContact CG2-CE1 3.9Å
298	G	98.7	Very high	95.5	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	168.6	-173.4	-176.5	0	0	0	0	0	113.5	V139 L309	V139-G298 CarbonylContact O-C 3.57Å; V139-G298 WeakPolarHBondContact O-CA 3.24Å; G298-L309 PolarHBondContact N-O 3.03Å; G298-L309 PolarHBondContact O-N 3.36Å
299	Y	98.8	Very high	96.1	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.8	160.7	175.7	57.8	-101.8	0	0	0	109.9	P136 E137 Y138 V139 Q253 V256 Y307 W308	P136-Y299 WeakPolarHBondContact O-CE2 3.27Å; P136-Y299 PolarHBondContact O-OH 3.07Å; E137-Y299 WeakPolarHBondContact O-CD2 3.37Å; E137-Y299 WeakPolarHBondContact O-CE2 3.49Å; Y138-Y299 WeakPolarHBondContact CA-O 3.28Å; V139-Y299 HydrophobicContact CB-CD1 4.19Å; V139-Y299 HydrophobicContact CB-CE1 3.83Å; V139-Y299 HydrophobicContact CB-CE2 4.35Å; V139-Y299 HydrophobicContact CG2-CE1 3.69Å; V139-Y299 HydrophobicContact CG2-CE2 4.02Å; V139-Y299 WeakPolarHBondContact CG2-OH 3.44Å; V139-Y299 PolarHBondContact N-O 3.23Å; V139-Y299 PolarHBondContact O-N 3.45Å; V139-Y299 VanDerWaalsContact O-O 3.13Å; Q253-Y299 HydrophobicContact CG-CD1 3.83Å; Q253-Y299 HydrophobicContact CG-CD2 4.43Å; Q253-Y299 HydrophobicContact CG-CE1 3.49Å; Q253-Y299 VanDerWaalsContact CG-CE1 3.49Å; Q253-Y299 HydrophobicContact CG-CE2 4.17Å; Q253-Y299 HydrophobicContact CG-CG 4.28Å; Q253-Y299 VanDerWaalsContact NE2-CE2 3.26Å; V256-Y299 HydrophobicContact CB-CD1 4.26Å; V256-Y299 HydrophobicContact CB-CE1 4.3Å; V256-Y299 HydrophobicContact CG1-CD1 3.86Å; V256-Y299 HydrophobicContact CG1-CE1 4.08Å; Y299-Y307 WeakPolarHBondContact CA-O 3.42Å; Y299-Y307 WeakPolarHBondContact CB-O 3.36Å; Y299-W308 HydrophobicContact CD1-CZ3 4.02Å; Y299-W308 HydrophobicContact CG-CZ3 4.4Å
300	G	98.6	Very high	96.8	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-166.6	-165.2	177.1	0	0	0	0	0	111.9	P306 Y307	G300-P306 CarbonylContact O-C 3.54Å; G300-P306 WeakPolarHBondContact O-CA 3.4Å; G300-Y307 VanDerWaalsContact C-CE1 3.46Å; G300-Y307 PolarHBondContact N-O 3.45Å; G300-Y307 PolarHBondContact O-N 2.89Å
301	I	98.5	Very high	97.4	Very high	72 Å²	72	22.7 Å²	22.7	37%	0.369	12%	0.119	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	133.6	171	-54.4	-166.7	0	0	0	108.1	E137 I305 P306	E137-I301 HydrophobicContact CG-CD1 3.75Å; E137-I301 HydrophobicContact CG-CG1 3.94Å; E137-I301 WeakPolarHBondContact OE1-CD1 3.48Å; I301-I305 WeakPolarHBondContact CA-O 3.35Å; I301-P306 HydrophobicContact CG1-CB 4.31Å
302	E	98.2	Very high	97.9	Very high	46 Å²	46	22.5 Å²	22.5	22%	0.215	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	124.9	173.4	177.6	176.2	132.6	0	0	108.6	G278 V279 D304 I305 Y307 K325	G278-E302 WeakPolarHBondContact CA-OE1 3.47Å; V279-E302 HydrophobicContact CG2-CB 3.88Å; V279-E302 HydrophobicContact CG2-CG 4.41Å; E302-D304 VanDerWaalsContact C-N 3.28Å; E302-D304 PolarHBondContact O-N 2.95Å; E302-I305 PolarHBondContact N-O 3.13Å; E302-I305 WeakPolarHBondContact O-CB 3.42Å; E302-I305 PolarHBondContact O-N 3.45Å; E302-Y307 HydrophobicContact CB-CD1 4.02Å; E302-Y307 HydrophobicContact CB-CE1 3.84Å; E302-K325 WeakPolarHBondContact OE2-CD 3.15Å; E302-K325 IonicContact OE2-NZ 3.84Å; E302-K325 PolarHBondContact OE2-NZ 3.06Å
303	N	96.1	Very high	98	Very high	125 Å²	125	22.4 Å²	22.4	67%	0.668	12%	0.118	S	C	*	.	T	Hydrogen-bonded Turn	trans	50.3	47.2	-177.5	-55.4	-40.5	0	0	0	112.5	I305	N303-I305 PolarHBondContact O-N 2.95Å; N303-I305 VanDerWaalsContact O-N 3.14Å
304	D	97	Very high	98	Very high	154 Å²	154	22.8 Å²	22.8	82%	0.824	12%	0.12	S	C	*	.	T	Hydrogen-bonded Turn	trans	63.2	10.5	-176.4	-54.3	-48.6	0	0	0	115.5	E302 P306	E302-D304 VanDerWaalsContact C-N 3.28Å; E302-D304 PolarHBondContact O-N 2.95Å; D304-P306 WeakPolarHBondContact O-CD 3.47Å
305	I	98.3	Very high	97.8	Very high	22 Å²	22	23.3 Å²	23.3	11%	0.113	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	111.6	177.5	-55.6	172.2	0	0	0	109.3	T87 V279 L281 I301 E302 N303 Y330	T87-I305 HydrophobicContact CG2-CD1 3.35Å; V279-I305 HydrophobicContact CB-CB 4.38Å; V279-I305 HydrophobicContact CB-CG2 3.96Å; V279-I305 HydrophobicContact CG1-CB 4.43Å; V279-I305 HydrophobicContact CG1-CG2 3.56Å; V279-I305 HydrophobicContact CG2-CB 4.27Å; V279-I305 HydrophobicContact CG2-CG2 4.27Å; L281-I305 HydrophobicContact CD1-CD1 4.21Å; L281-I305 HydrophobicContact CD1-CG2 3.83Å; I301-I305 WeakPolarHBondContact CA-O 3.35Å; E302-I305 PolarHBondContact N-O 3.13Å; E302-I305 WeakPolarHBondContact O-CB 3.42Å; E302-I305 PolarHBondContact O-N 3.45Å; N303-I305 PolarHBondContact O-N 2.95Å; N303-I305 VanDerWaalsContact O-N 3.14Å; I305-Y330 HydrophobicContact CG2-CE2 3.78Å
306	P	98.5	Very high	97.6	Very high	24 Å²	24	28.9 Å²	28.9	16%	0.156	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.7	139.1	171.7	24.2	-31.5	0	0	0	110.9	G300 I301 D304 R328 Y330	G300-P306 CarbonylContact O-C 3.54Å; G300-P306 WeakPolarHBondContact O-CA 3.4Å; I301-P306 HydrophobicContact CG1-CB 4.31Å; D304-P306 WeakPolarHBondContact O-CD 3.47Å; P306-R328 HydrophobicContact CB-CB 4.28Å; P306-R328 WeakPolarHBondContact CG-O 3.41Å; P306-R328 PolarHBondContact O-N 3.41Å; P306-Y330 HydrophobicContact CG-CE2 4.41Å
307	Y	98.9	Very high	97.3	Very high	16 Å²	16	33.2 Å²	33.2	6%	0.063	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136	155.2	-179.3	67.9	-96.2	0	0	0	112.8	V279 Y299 G300 E302 L309 K325 L326	V279-Y307 HydrophobicContact CG2-CD1 4.09Å; V279-Y307 HydrophobicContact CG2-CG 4.42Å; Y299-Y307 WeakPolarHBondContact CA-O 3.42Å; Y299-Y307 WeakPolarHBondContact CB-O 3.36Å; G300-Y307 VanDerWaalsContact C-CE1 3.46Å; G300-Y307 PolarHBondContact N-O 3.45Å; G300-Y307 PolarHBondContact O-N 2.89Å; E302-Y307 HydrophobicContact CB-CD1 4.02Å; E302-Y307 HydrophobicContact CB-CE1 3.84Å; Y307-L309 HydrophobicContact CD2-CB 4.47Å; Y307-L309 HydrophobicContact CE2-CB 4.13Å; Y307-K325 HydrophobicContact CD1-CD 4.31Å; Y307-K325 HydrophobicContact CD2-CB 3.83Å; Y307-K325 HydrophobicContact CD2-CD 4.11Å; Y307-K325 HydrophobicContact CD2-CG 3.64Å; Y307-K325 HydrophobicContact CE1-CD 4.18Å; Y307-K325 HydrophobicContact CE2-CB 4.48Å; Y307-K325 HydrophobicContact CE2-CD 3.98Å; Y307-K325 HydrophobicContact CE2-CG 3.8Å; Y307-K325 HydrophobicContact CG-CB 3.93Å; Y307-K325 HydrophobicContact CG-CD 4.29Å; Y307-K325 HydrophobicContact CG-CG 4.11Å; Y307-L326 CarbonylContact C-O 3.57Å; Y307-L326 WeakPolarHBondContact CA-O 3.48Å; Y307-L326 WeakPolarHBondContact CB-O 3.15Å
308	W	98.9	Very high	97.1	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	131.6	159.5	-62.9	111	0	0	0	109.1	E249 L252 Q253 V256 V296 Y299 V310 K325 L326 R328 I336	E249-W308 HydrophobicContact CB-CZ2 4.06Å; E249-W308 HydrophobicContact CG-CZ2 4.3Å; E249-W308 PolarHBondContact OE1-NE1 3.46Å; L252-W308 HydrophobicContact CB-CH2 4.03Å; L252-W308 HydrophobicContact CB-CZ2 4.29Å; L252-W308 HydrophobicContact CD2-CD2 4.47Å; L252-W308 HydrophobicContact CD2-CH2 3.96Å; L252-W308 HydrophobicContact CD2-CZ2 3.78Å; L252-W308 HydrophobicContact CD2-CZ3 4.39Å; L252-W308 HydrophobicContact CG-CH2 3.7Å; L252-W308 HydrophobicContact CG-CZ2 4.02Å; L252-W308 HydrophobicContact CG-CZ3 4.09Å; Q253-W308 HydrophobicContact CB-CH2 3.73Å; Q253-W308 HydrophobicContact CB-CZ3 4.29Å; Q253-W308 HydrophobicContact CG-CH2 4.25Å; Q253-W308 HydrophobicContact CG-CZ3 4.43Å; V256-W308 HydrophobicContact CG2-CZ3 4.24Å; V296-W308 HydrophobicContact CG1-CD2 4.47Å; V296-W308 HydrophobicContact CG1-CE3 3.71Å; V296-W308 HydrophobicContact CG1-CZ3 4.34Å; Y299-W308 HydrophobicContact CD1-CZ3 4.02Å; Y299-W308 HydrophobicContact CG-CZ3 4.4Å; W308-V310 HydrophobicContact CB-CG2 3.9Å; W308-K325 CarbonylContact O-C 3.44Å; W308-K325 WeakPolarHBondContact O-CA 3.27Å; W308-L326 PolarHBondContact N-O 2.99Å; W308-L326 PolarHBondContact O-N 3.47Å; W308-R328 HydrophobicContact CD2-CB 4.28Å; W308-R328 HydrophobicContact CD2-CG 4.07Å; W308-R328 VanDerWaalsContact CE2-CG 3.44Å; W308-R328 HydrophobicContact CG-CB 4.13Å; W308-R328 HydrophobicContact CG-CG 4.43Å; W308-R328 HydrophobicContact CH2-CG 4.39Å; W308-R328 HydrophobicContact CZ2-CG 3.64Å; W308-I336 HydrophobicContact CB-CD1 4Å; W308-I336 HydrophobicContact CG-CD1 3.88Å
309	L	98.9	Very high	97.1	Very high	5 Å²	5	34 Å²	34	3%	0.026	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	114	169.2	-177.8	63.6	0	0	0	108.1	D140 V297 G298 Y307 Y323 K325	D140-L309 HydrophobicContact CB-CD2 4.38Å; V297-L309 HydrophobicContact CG2-CB 4.24Å; V297-L309 HydrophobicContact CG2-CD2 3.74Å; V297-L309 HydrophobicContact CG2-CG 3.65Å; V297-L309 WeakPolarHBondContact CG2-O 3.42Å; V297-L309 PolarHBondContact N-O 3.48Å; G298-L309 PolarHBondContact N-O 3.03Å; G298-L309 PolarHBondContact O-N 3.36Å; Y307-L309 HydrophobicContact CD2-CB 4.47Å; Y307-L309 HydrophobicContact CE2-CB 4.13Å; L309-Y323 HydrophobicContact CD1-CD1 4.42Å; L309-K325 HydrophobicContact CD1-CG 4.38Å
310	V	98.8	Very high	97	Very high	2 Å²	2	36.8 Å²	36.8	1%	0.012	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	122.1	-171.1	-178.6	0	0	0	0	109.1	V294 L295 V296 W308 Y323 I324 L326 I336	V294-V310 HydrophobicContact CB-CG1 3.67Å; V294-V310 HydrophobicContact CG1-CG1 4.47Å; V294-V310 HydrophobicContact CG2-CG1 3.45Å; V294-V310 VanDerWaalsContact CG2-CG1 3.45Å; L295-V310 CarbonylContact O-C 3.59Å; L295-V310 WeakPolarHBondContact O-CA 3.43Å; V296-V310 HydrophobicContact CG2-CG2 4.32Å; W308-V310 HydrophobicContact CB-CG2 3.9Å; V310-Y323 CarbonylContact O-C 3.57Å; V310-Y323 VanDerWaalsContact O-CA 3.28Å; V310-Y323 WeakPolarHBondContact O-CA 3.19Å; V310-I324 HydrophobicContact CB-CD1 4.33Å; V310-I324 HydrophobicContact CB-CG1 3.71Å; V310-I324 HydrophobicContact CG1-CG1 4.29Å; V310-I324 HydrophobicContact CG2-CG1 4.42Å; V310-I324 PolarHBondContact N-O 3.28Å; V310-I324 PolarHBondContact O-N 3.23Å; V310-L326 HydrophobicContact CG2-CB 4.45Å; V310-I336 HydrophobicContact CG2-CD1 3.96Å
311	K	98.7	Very high	97	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	122.6	166.6	-169.4	-172.9	-174.7	-163.6	0	108	V147 T148 P149 V150 E166 L295 V297 Y323	V147-K311 HydrophobicContact CG1-CD 3.71Å; T148-K311 WeakPolarHBondContact O-CE 3.33Å; T148-K311 PolarHBondContact O-NZ 2.87Å; T148-K311 PolarHBondContact OG1-NZ 3.37Å; P149-K311 PolarHBondContact O-NZ 2.76Å; V150-K311 HydrophobicContact CG2-CG 4.21Å; E166-K311 VanDerWaalsContact OE1-CE 3.28Å; E166-K311 WeakPolarHBondContact OE1-CE 2.98Å; E166-K311 IonicContact OE1-NZ 2.63Å; E166-K311 PolarHBondContact OE1-NZ 3.22Å; L295-K311 HydrophobicContact CB-CB 4.19Å; L295-K311 HydrophobicContact CD2-CB 4.41Å; L295-K311 HydrophobicContact CD2-CD 4.1Å; L295-K311 PolarHBondContact N-O 2.97Å; L295-K311 PolarHBondContact O-N 3.31Å; V297-K311 HydrophobicContact CG1-CB 4.06Å; K311-Y323 HydrophobicContact CB-CD1 3.81Å; K311-Y323 HydrophobicContact CB-CE1 3.45Å; K311-Y323 VanDerWaalsContact CB-CE1 3.45Å; K311-Y323 HydrophobicContact CD-CE1 4.27Å; K311-Y323 HydrophobicContact CG-CD1 4.2Å; K311-Y323 HydrophobicContact CG-CE1 3.59Å
312	F	96.4	Very high	96.9	Very high	0 Å²	0	40 Å²	40	0%	0	21%	0.208	C	C	.	.			trans	-96	169	176.3	-133	-88.4	0	0	0	110.1	V150 I266 M268 F272 E292 V294 L314 F318 G322 I324	V150-F312 WeakPolarHBondContact CG1-O 3.29Å; I266-F312 HydrophobicContact CD1-CE2 3.66Å; I266-F312 HydrophobicContact CD1-CZ 4.09Å; M268-F312 HydrophobicContact CE-CE1 4.08Å; M268-F312 HydrophobicContact CE-CZ 4.13Å; M268-F312 HydrophobicContact SD-CZ 4.31Å; F272-F312 AromaticContact CD1-CE2 3.85Å; F272-F312 HydrophobicContact CD1-CE2 3.85Å; F272-F312 HydrophobicContact CD1-CZ 4.32Å; F272-F312 HydrophobicContact CE1-CE2 4.4Å; E292-F312 HydrophobicContact CG-CE1 4.19Å; E292-F312 HydrophobicContact CG-CZ 3.95Å; V294-F312 HydrophobicContact CG1-CD1 4.44Å; V294-F312 HydrophobicContact CG1-CD2 3.75Å; V294-F312 HydrophobicContact CG1-CE1 4.36Å; V294-F312 HydrophobicContact CG1-CE2 3.66Å; V294-F312 HydrophobicContact CG1-CG 4.17Å; V294-F312 HydrophobicContact CG1-CZ 3.98Å; F312-L314 HydrophobicContact CD1-CB 4.1Å; F312-L314 HydrophobicContact CD1-CD1 3.49Å; F312-L314 VanDerWaalsContact CD1-CD1 3.49Å; F312-L314 HydrophobicContact CD1-CG 3.53Å; F312-L314 HydrophobicContact CE1-CD1 3.45Å; F312-L314 VanDerWaalsContact CE1-CD1 3.45Å; F312-L314 HydrophobicContact CE1-CG 3.8Å; F312-F318 HydrophobicContact CB-CD1 4.02Å; F312-F318 HydrophobicContact CB-CE1 3.73Å; F312-F318 HydrophobicContact CD1-CE1 4.06Å; F312-F318 HydrophobicContact CD2-CE1 4.28Å; F312-F318 HydrophobicContact CG-CD1 4.42Å; F312-F318 AromaticContact CG-CE1 3.76Å; F312-F318 HydrophobicContact CG-CE1 3.76Å; F312-F318 HydrophobicContact CG-CZ 4.48Å; F312-G322 WeakPolarHBondContact CB-O 3.48Å; F312-G322 PolarHBondContact N-O 3.09Å; F312-I324 HydrophobicContact CD2-CD1 3.99Å; F312-I324 HydrophobicContact CD2-CG1 4.41Å; F312-I324 HydrophobicContact CD2-CG2 4.39Å; F312-I324 HydrophobicContact CE2-CD1 4.09Å
313	N	95.3	Very high	96.9	Very high	2 Å²	2	38.8 Å²	38.8	1%	0.011	20%	0.202	C	C	.	.	S	Bend	trans	-114.4	38.4	-176.2	58.6	10.8	0	0	0	111.8	K151 T152 Q153 S159 I162 E292 S293	K151-N313 CarbonylContact O-C 3.35Å; K151-N313 VanDerWaalsContact O-CA 3.28Å; K151-N313 WeakPolarHBondContact O-CA 3.03Å; T152-N313 CarbonylContact C-O 3.46Å; T152-N313 VanDerWaalsContact CA-O 3.3Å; T152-N313 WeakPolarHBondContact CA-O 3.42Å; Q153-N313 PolarHBondContact N-O 2.97Å; Q153-N313 PolarHBondContact NE2-ND2 3.43Å; Q153-N313 PolarHBondContact NE2-OD1 3.05Å; S159-N313 VanDerWaalsContact CA-ND2 3.31Å; S159-N313 WeakPolarHBondContact CA-ND2 3.37Å; S159-N313 WeakPolarHBondContact CB-ND2 3.47Å; I162-N313 HydrophobicContact CD1-CB 4.14Å; I162-N313 HydrophobicContact CG2-CB 3.85Å; E292-N313 PolarHBondContact OE1-ND2 3.35Å; E292-N313 PolarHBondContact OE1-OD1 3.43Å; S293-N313 PolarHBondContact O-ND2 3.46Å
314	L	94.3	Very high	97.1	Very high	7 Å²	7	32.9 Å²	32.9	4%	0.037	17%	0.17	C	C	.	.	B	Isolated β-bridge	trans	-118	21.2	-175.4	-72.6	178.9	0	0	0	112.4	Q94 Y95 K151 Q153 M268 L273 F312 F318	Q94-L314 PolarHBondContact NE2-O 3.12Å; Y95-L314 HydrophobicContact CE1-CD2 4.08Å; Y95-L314 HydrophobicContact CE2-CB 3.65Å; Y95-L314 HydrophobicContact CE2-CD1 4.14Å; Y95-L314 HydrophobicContact CE2-CD2 4.1Å; Y95-L314 HydrophobicContact CE2-CG 4.16Å; Y95-L314 WeakPolarHBondContact OH-CA 3.48Å; Y95-L314 WeakPolarHBondContact OH-CD2 3.42Å; Y95-L314 PolarHBondContact OH-O 3.5Å; K151-L314 PolarHBondContact O-N 3.15Å; Q153-L314 HydrophobicContact CG-CD2 4.46Å; M268-L314 HydrophobicContact CE-CD1 4.1Å; L273-L314 HydrophobicContact CD2-CD1 4.31Å; F312-L314 HydrophobicContact CD1-CB 4.1Å; F312-L314 HydrophobicContact CD1-CD1 3.49Å; F312-L314 VanDerWaalsContact CD1-CD1 3.49Å; F312-L314 HydrophobicContact CD1-CG 3.53Å; F312-L314 HydrophobicContact CE1-CD1 3.45Å; F312-L314 VanDerWaalsContact CE1-CD1 3.45Å; F312-L314 HydrophobicContact CE1-CG 3.8Å; L314-F318 HydrophobicContact CB-CB 3.92Å; L314-F318 HydrophobicContact CB-CD1 3.92Å; L314-F318 HydrophobicContact CB-CD2 4.19Å; L314-F318 HydrophobicContact CB-CG 3.73Å; L314-F318 HydrophobicContact CD1-CD1 4.36Å; L314-F318 HydrophobicContact CD1-CD2 3.99Å; L314-F318 HydrophobicContact CD1-CE1 4.22Å; L314-F318 HydrophobicContact CD1-CE2 3.83Å; L314-F318 HydrophobicContact CD1-CG 4.24Å; L314-F318 HydrophobicContact CD1-CZ 3.95Å; L314-F318 WeakPolarHBondContact O-CB 3.19Å
315	G	94.4	Very high	97.1	Very high	13 Å²	13	27.3 Å²	27.3	13%	0.134	14%	0.139	C	C	.	.			trans	77.9	166.9	-179.7	0	0	0	0	0	114.4	K151 E317 F318 G322	K151-G315 PolarHBondContact O-N 3.48Å; G315-E317 VanDerWaalsContact C-N 3.33Å; G315-E317 PolarHBondContact O-N 2.84Å; G315-F318 WeakPolarHBondContact O-CB 3.28Å; G315-F318 PolarHBondContact O-N 3.01Å; G315-G322 WeakPolarHBondContact O-CA 3.34Å
316	E	94.9	Very high	97.2	Very high	118 Å²	118	26.3 Å²	26.3	55%	0.551	13%	0.133	S	C	*	.	T	Hydrogen-bonded Turn	trans	-71.2	-25	-173.8	-66.6	-179.3	174.3	0	0	113.7	V150 F318 H321 G322	V150-E316 HydrophobicContact CB-CG 3.77Å; V150-E316 HydrophobicContact CG2-CG 4.32Å; E316-F318 PolarHBondContact O-N 3.35Å; E316-H321 CarbonylContact O-C 3.29Å; E316-H321 VanDerWaalsContact O-CA 3.22Å; E316-H321 WeakPolarHBondContact O-CA 3.39Å; E316-G322 PolarHBondContact O-N 3.4Å
317	E	92.4	Very high	97.2	Very high	91 Å²	91	25.1 Å²	25.1	43%	0.425	13%	0.126	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.9	-10.7	177.9	-63.3	-70.3	179	0	0	113.1	R50 Y51 G315	R50-E317 IonicContact CZ-OE1 3.47Å; R50-E317 IonicContact CZ-OE2 2.77Å; R50-E317 IonicContact NH1-OE1 3.27Å; R50-E317 PolarHBondContact NH1-OE1 2.93Å; R50-E317 IonicContact NH2-OE1 3.3Å; R50-E317 PolarHBondContact NH2-OE1 2.91Å; R50-E317 IonicContact NH2-OE2 3.63Å; R50-E317 PolarHBondContact NH2-OE2 3.42Å; Y51-E317 HydrophobicContact CE1-CB 4.21Å; G315-E317 VanDerWaalsContact C-N 3.33Å; G315-E317 PolarHBondContact O-N 2.84Å
318	F	95.6	Very high	97.1	Very high	0 Å²	0	25 Å²	25	0%	0	13%	0.125	C	C	.	.	S	Bend	trans	-86.1	138.8	176.8	170.9	-99.1	0	0	0	111.5	Y95 F272 F312 L314 G315 E316 G322 I324	Y95-F318 AromaticContact CD2-CD2 3.93Å; Y95-F318 HydrophobicContact CD2-CD2 3.93Å; Y95-F318 HydrophobicContact CE2-CB 4.19Å; Y95-F318 HydrophobicContact CE2-CD2 4.05Å; Y95-F318 HydrophobicContact CE2-CG 4.41Å; F272-F318 WeakPolarHBondContact O-CE2 3.24Å; F272-F318 WeakPolarHBondContact O-CZ 3.06Å; F312-F318 HydrophobicContact CB-CD1 4.02Å; F312-F318 HydrophobicContact CB-CE1 3.73Å; F312-F318 HydrophobicContact CD1-CE1 4.06Å; F312-F318 HydrophobicContact CD2-CE1 4.28Å; F312-F318 HydrophobicContact CG-CD1 4.42Å; F312-F318 AromaticContact CG-CE1 3.76Å; F312-F318 HydrophobicContact CG-CE1 3.76Å; F312-F318 HydrophobicContact CG-CZ 4.48Å; L314-F318 HydrophobicContact CB-CB 3.92Å; L314-F318 HydrophobicContact CB-CD1 3.92Å; L314-F318 HydrophobicContact CB-CD2 4.19Å; L314-F318 HydrophobicContact CB-CG 3.73Å; L314-F318 HydrophobicContact CD1-CD1 4.36Å; L314-F318 HydrophobicContact CD1-CD2 3.99Å; L314-F318 HydrophobicContact CD1-CE1 4.22Å; L314-F318 HydrophobicContact CD1-CE2 3.83Å; L314-F318 HydrophobicContact CD1-CG 4.24Å; L314-F318 HydrophobicContact CD1-CZ 3.95Å; L314-F318 WeakPolarHBondContact O-CB 3.19Å; G315-F318 WeakPolarHBondContact O-CB 3.28Å; G315-F318 PolarHBondContact O-N 3.01Å; E316-F318 PolarHBondContact O-N 3.35Å; F318-G322 WeakPolarHBondContact O-CA 3.35Å; F318-G322 PolarHBondContact O-N 3.01Å; F318-I324 HydrophobicContact CE1-CG2 3.73Å; F318-I324 HydrophobicContact CZ-CG2 4.15Å
319	G	97.4	Very high	97	Very high	17 Å²	17	29.3 Å²	29.3	18%	0.175	15%	0.148	C	C	.	.	T	Hydrogen-bonded Turn	trans	59.4	-141.7	173.9	0	0	0	0	0	114	Y275 G276 H321	Y275-G319 WeakPolarHBondContact O-CA 3.46Å; G276-G319 CarbonylContact O-C 3.45Å; G276-G319 VanDerWaalsContact O-C 3.29Å; G319-H321 PolarHBondContact O-N 3.11Å
320	D	97.6	Very high	96.9	Very high	59 Å²	59	33.4 Å²	33.4	32%	0.316	16%	0.164	S	C	.	.	B	Isolated β-bridge	trans	-92.9	86.2	173.5	-176.3	8	0	0	0	108.5	G276 G322 Y323	G276-D320 PolarHBondContact O-N 2.86Å; D320-G322 VanDerWaalsContact C-N 3.28Å; D320-G322 PolarHBondContact O-N 3.42Å; D320-Y323 PolarHBondContact N-O 2.96Å; D320-Y323 WeakPolarHBondContact O-CB 3.36Å; D320-Y323 PolarHBondContact O-N 2.89Å
321	H	97.3	Very high	96.7	Very high	138 Å²	138	42.3 Å²	42.3	64%	0.639	20%	0.203	S	C	*	.	T	Hydrogen-bonded Turn	trans	56.3	38.1	-178.9	-54.8	85.7	0	0	0	113.8	E316 G319 Y323	E316-H321 CarbonylContact O-C 3.29Å; E316-H321 VanDerWaalsContact O-CA 3.22Å; E316-H321 WeakPolarHBondContact O-CA 3.39Å; G319-H321 PolarHBondContact O-N 3.11Å; H321-Y323 VanDerWaalsContact O-CD2 3.24Å; H321-Y323 WeakPolarHBondContact O-CD2 3.48Å; H321-Y323 WeakPolarHBondContact O-CE2 3.31Å
322	G	97.7	Very high	96.6	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	87.8	4.9	-176.5	0	0	0	0	0	115.2	F312 G315 E316 F318 D320	F312-G322 WeakPolarHBondContact CB-O 3.48Å; F312-G322 PolarHBondContact N-O 3.09Å; G315-G322 WeakPolarHBondContact O-CA 3.34Å; E316-G322 PolarHBondContact O-N 3.4Å; F318-G322 WeakPolarHBondContact O-CA 3.35Å; F318-G322 PolarHBondContact O-N 3.01Å; D320-G322 VanDerWaalsContact C-N 3.28Å; D320-G322 PolarHBondContact O-N 3.42Å
323	Y	98.6	Very high	96.6	Very high	22 Å²	22	44.2 Å²	44.2	9%	0.086	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	155	-179.9	-61.4	-98.4	0	0	0	112.2	R142 V147 V150 Y275 V297 L309 V310 K311 D320 H321	R142-Y323 HydrophobicContact CG-CE1 4.35Å; V147-Y323 WeakPolarHBondContact CG1-OH 3.43Å; V150-Y323 HydrophobicContact CG2-CD2 4.46Å; V150-Y323 HydrophobicContact CG2-CE2 3.78Å; Y275-Y323 VanDerWaalsContact CE1-O 3.32Å; Y275-Y323 WeakPolarHBondContact CE1-O 3.33Å; V297-Y323 HydrophobicContact CG2-CD1 4.14Å; V297-Y323 HydrophobicContact CG2-CE1 3.9Å; L309-Y323 HydrophobicContact CD1-CD1 4.42Å; V310-Y323 CarbonylContact O-C 3.57Å; V310-Y323 VanDerWaalsContact O-CA 3.28Å; V310-Y323 WeakPolarHBondContact O-CA 3.19Å; K311-Y323 HydrophobicContact CB-CD1 3.81Å; K311-Y323 HydrophobicContact CB-CE1 3.45Å; K311-Y323 VanDerWaalsContact CB-CE1 3.45Å; K311-Y323 HydrophobicContact CD-CE1 4.27Å; K311-Y323 HydrophobicContact CG-CD1 4.2Å; K311-Y323 HydrophobicContact CG-CE1 3.59Å; D320-Y323 PolarHBondContact N-O 2.96Å; D320-Y323 WeakPolarHBondContact O-CB 3.36Å; D320-Y323 PolarHBondContact O-N 2.89Å; H321-Y323 VanDerWaalsContact O-CD2 3.24Å; H321-Y323 WeakPolarHBondContact O-CD2 3.48Å; H321-Y323 WeakPolarHBondContact O-CE2 3.31Å
324	I	98.6	Very high	96.7	Very high	1 Å²	1	44.1 Å²	44.1	1%	0.005	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	154.8	169.1	72.7	172.8	0	0	0	110.4	F272 Y275 L280 V310 F312 F318 L326	F272-I324 HydrophobicContact CD1-CD1 3.64Å; F272-I324 HydrophobicContact CE1-CD1 3.51Å; Y275-I324 HydrophobicContact CD1-CB 3.97Å; Y275-I324 HydrophobicContact CD1-CG2 3.43Å; Y275-I324 VanDerWaalsContact CD1-CG2 3.43Å; Y275-I324 HydrophobicContact CE1-CB 3.82Å; Y275-I324 HydrophobicContact CE1-CG2 3.72Å; Y275-I324 HydrophobicContact CE2-CB 4.38Å; Y275-I324 HydrophobicContact CG-CB 4.35Å; Y275-I324 HydrophobicContact CG-CG2 3.91Å; L280-I324 HydrophobicContact CD2-CD1 4.31Å; V310-I324 HydrophobicContact CB-CD1 4.33Å; V310-I324 HydrophobicContact CB-CG1 3.71Å; V310-I324 HydrophobicContact CG1-CG1 4.29Å; V310-I324 HydrophobicContact CG2-CG1 4.42Å; V310-I324 PolarHBondContact N-O 3.28Å; V310-I324 PolarHBondContact O-N 3.23Å; F312-I324 HydrophobicContact CD2-CD1 3.99Å; F312-I324 HydrophobicContact CD2-CG1 4.41Å; F312-I324 HydrophobicContact CD2-CG2 4.39Å; F312-I324 HydrophobicContact CE2-CD1 4.09Å; F318-I324 HydrophobicContact CE1-CG2 3.73Å; F318-I324 HydrophobicContact CZ-CG2 4.15Å; I324-L326 HydrophobicContact CD1-CB 4.45Å
325	K	98.8	Very high	96.8	Very high	37 Å²	37	45.2 Å²	45.2	16%	0.161	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	105.6	164.9	-66.8	174.8	178.9	163.8	0	108.2	Y275 V279 L280 E302 Y307 W308 L309	Y275-K325 PolarHBondContact OH-N 2.78Å; Y275-K325 VanDerWaalsContact OH-N 3.15Å; V279-K325 HydrophobicContact CG2-CB 4.43Å; L280-K325 WeakPolarHBondContact CB-O 3.48Å; L280-K325 PolarHBondContact N-O 3.48Å; E302-K325 WeakPolarHBondContact OE2-CD 3.15Å; E302-K325 IonicContact OE2-NZ 3.84Å; E302-K325 PolarHBondContact OE2-NZ 3.06Å; Y307-K325 HydrophobicContact CD1-CD 4.31Å; Y307-K325 HydrophobicContact CD2-CB 3.83Å; Y307-K325 HydrophobicContact CD2-CD 4.11Å; Y307-K325 HydrophobicContact CD2-CG 3.64Å; Y307-K325 HydrophobicContact CE1-CD 4.18Å; Y307-K325 HydrophobicContact CE2-CB 4.48Å; Y307-K325 HydrophobicContact CE2-CD 3.98Å; Y307-K325 HydrophobicContact CE2-CG 3.8Å; Y307-K325 HydrophobicContact CG-CB 3.93Å; Y307-K325 HydrophobicContact CG-CD 4.29Å; Y307-K325 HydrophobicContact CG-CG 4.11Å; W308-K325 CarbonylContact O-C 3.44Å; W308-K325 WeakPolarHBondContact O-CA 3.27Å; L309-K325 HydrophobicContact CD1-CG 4.38Å
326	L	98.7	Very high	97	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	134.2	178.1	-172.8	69.8	0	0	0	109.9	I266 F272 L280 Y307 W308 V310 I324 R328 M333 I336	I266-L326 HydrophobicContact CG2-CD2 4.5Å; F272-L326 HydrophobicContact CE1-CD1 4.11Å; F272-L326 HydrophobicContact CZ-CD1 4.05Å; L280-L326 HydrophobicContact CB-CD1 4.33Å; L280-L326 HydrophobicContact CD2-CD1 4.15Å; L280-L326 HydrophobicContact CG-CD1 4.2Å; Y307-L326 CarbonylContact C-O 3.57Å; Y307-L326 WeakPolarHBondContact CA-O 3.48Å; Y307-L326 WeakPolarHBondContact CB-O 3.15Å; W308-L326 PolarHBondContact N-O 2.99Å; W308-L326 PolarHBondContact O-N 3.47Å; V310-L326 HydrophobicContact CG2-CB 4.45Å; I324-L326 HydrophobicContact CD1-CB 4.45Å; L326-R328 PolarHBondContact O-N 3.02Å; L326-M333 HydrophobicContact CD1-CG 3.69Å; L326-M333 HydrophobicContact CD2-CB 4.38Å; L326-M333 HydrophobicContact CD2-CG 4.19Å; L326-M333 HydrophobicContact CG-CB 4.3Å; L326-M333 HydrophobicContact CG-CG 3.84Å; L326-I336 HydrophobicContact CD2-CB 4.2Å; L326-I336 HydrophobicContact CD2-CD1 3.65Å; L326-I336 HydrophobicContact CD2-CG1 4.46Å
327	A	98.4	Very high	97.1	Very high	0 Å²	0	39 Å²	39	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-56.2	129.7	-179.8	0	0	0	0	0	112.5	V279 L280 L281 Y330 M333	V279-A327 HydrophobicContact CG1-CB 4.05Å; L280-A327 WeakPolarHBondContact O-CB 3.46Å; L280-A327 PolarHBondContact O-N 2.9Å; L281-A327 HydrophobicContact CD1-CB 3.68Å; L281-A327 HydrophobicContact CG-CB 3.64Å; A327-Y330 HydrophobicContact CB-CD2 3.58Å; A327-Y330 HydrophobicContact CB-CE2 4.16Å; A327-Y330 HydrophobicContact CB-CG 4.01Å; A327-M333 HydrophobicContact CB-CE 4.06Å; A327-M333 WeakPolarHBondContact O-CB 3.43Å
328	R	98.2	Very high	97.2	Very high	12 Å²	12	36.7 Å²	36.7	5%	0.045	18%	0.175	C	C	.	.	S	Bend	trans	-104.6	143.9	-179.3	176.3	170	75.5	93.8	-5.8	110.3	E249 P306 W308 L326 Y330	E249-R328 WeakPolarHBondContact OE1-CA 3.49Å; P306-R328 HydrophobicContact CB-CB 4.28Å; P306-R328 WeakPolarHBondContact CG-O 3.41Å; P306-R328 PolarHBondContact O-N 3.41Å; W308-R328 HydrophobicContact CD2-CB 4.28Å; W308-R328 HydrophobicContact CD2-CG 4.07Å; W308-R328 VanDerWaalsContact CE2-CG 3.44Å; W308-R328 HydrophobicContact CG-CB 4.13Å; W308-R328 HydrophobicContact CG-CG 4.43Å; W308-R328 HydrophobicContact CH2-CG 4.39Å; W308-R328 HydrophobicContact CZ2-CG 3.64Å; L326-R328 PolarHBondContact O-N 3.02Å; R328-Y330 WeakPolarHBondContact O-CD2 3.34Å; R328-Y330 PolarHBondContact O-N 3.31Å
329	N	96.4	Very high	97.1	Very high	91 Å²	91	39.7 Å²	39.7	49%	0.487	19%	0.188	S	C	.	.	S	Bend	trans	64	21.1	-176	-55.5	-28.7	0	0	0	114	E249 K331	E249-N329 PolarHBondContact OE1-N 2.99Å; E249-N329 WeakPolarHBondContact OE2-CA 3.42Å; E249-N329 PolarHBondContact OE2-N 3.43Å; E249-N329 VanDerWaalsContact OE2-N 3.11Å; N329-K331 PolarHBondContact O-N 2.88Å
330	Y	96.3	Very high	97	Very high	92 Å²	92	38.9 Å²	38.9	36%	0.361	18%	0.18	S	C	.	.	S	Bend	trans	-99.4	58.7	172.4	-76.9	-97.4	0	0	0	110.6	L281 I305 P306 A327 R328 M333	L281-Y330 HydrophobicContact CD2-CD1 3.88Å; L281-Y330 HydrophobicContact CD2-CE1 3.59Å; L281-Y330 HydrophobicContact CD2-CG 4.5Å; I305-Y330 HydrophobicContact CG2-CE2 3.78Å; P306-Y330 HydrophobicContact CG-CE2 4.41Å; A327-Y330 HydrophobicContact CB-CD2 3.58Å; A327-Y330 HydrophobicContact CB-CE2 4.16Å; A327-Y330 HydrophobicContact CB-CG 4.01Å; R328-Y330 WeakPolarHBondContact O-CD2 3.34Å; R328-Y330 PolarHBondContact O-N 3.31Å; Y330-M333 HydrophobicContact CG-CE 4.47Å
331	K	95	Very high	96.9	Very high	189 Å²	189	37.3 Å²	37.3	82%	0.822	17%	0.17	S	C	*	.	S	Bend	trans	59.5	46.1	-176.8	-52.7	174.7	-178.9	173.9	0	112.7	Q286 N329	Q286-K331 PolarHBondContact NE2-O 3Å; N329-K331 PolarHBondContact O-N 2.88Å
332	N	96.3	Very high	96.9	Very high	28 Å²	28	31 Å²	31	15%	0.15	14%	0.14	C	C	.	.	S	Bend	trans	55	62.9	-177.9	-177.6	30.8	0	0	0	111.2	E249 Q286 C334 H335 I336 A337 N338	E249-N332 HydrophobicContact CG-CB 4.41Å; E249-N332 WeakPolarHBondContact OE2-CA 3.26Å; E249-N332 PolarHBondContact OE2-N 3.49Å; Q286-N332 PolarHBondContact NE2-O 2.97Å; N332-C334 PolarHBondContact O-N 3.24Å; N332-C334 VanDerWaalsContact O-N 3.12Å; N332-H335 PolarHBondContact O-N 2.82Å; N332-I336 PolarHBondContact OD1-N 3.42Å; N332-A337 WeakPolarHBondContact OD1-CB 3.28Å; N332-A337 PolarHBondContact OD1-N 3.39Å; N332-N338 PolarHBondContact ND2-OD1 2.94Å
333	M	97.3	Very high	96.8	Very high	12 Å²	12	31 Å²	31	6%	0.059	14%	0.14	C	C	.	.	G	3₁₀ helix	trans	-48.5	120.1	-172.7	-176.7	62.8	72.6	0	0	110.6	I282 L326 A327 Y330 H335 I336	I282-M333 HydrophobicContact CB-SD 4.26Å; L326-M333 HydrophobicContact CD1-CG 3.69Å; L326-M333 HydrophobicContact CD2-CB 4.38Å; L326-M333 HydrophobicContact CD2-CG 4.19Å; L326-M333 HydrophobicContact CG-CB 4.3Å; L326-M333 HydrophobicContact CG-CG 3.84Å; A327-M333 HydrophobicContact CB-CE 4.06Å; A327-M333 WeakPolarHBondContact O-CB 3.43Å; Y330-M333 HydrophobicContact CG-CE 4.47Å; M333-H335 PolarHBondContact O-N 2.97Å; M333-I336 WeakPolarHBondContact O-CG2 3.49Å; M333-I336 PolarHBondContact O-N 2.95Å
334	C	97.2	Very high	96.6	Very high	0 Å²	0	32 Å²	32	0%	0	15%	0.149	C	C	.	.	G	3₁₀ helix	trans	55	34.8	178.5	-43.6	0	0	0	0	114	I266 A267 F272 C285 N332 I336	I266-C334 CarbonylContact C-O 3.56Å; I266-C334 VanDerWaalsContact CA-O 3.29Å; I266-C334 WeakPolarHBondContact CA-O 3.43Å; A267-C334 HydrophobicContact CB-CB 4.11Å; A267-C334 PolarHBondContact N-O 3.07Å; F272-C334 HydrophobicContact CZ-CB 4.42Å; C285-C334 HydrophobicContact CB-CB 3.7Å; C285-C334 WeakPolarHBondContact CB-SG 3.3Å; C285-C334 WeakPolarHBondContact SG-CA 3.39Å; C285-C334 WeakPolarHBondContact SG-CB 3.3Å; C285-C334 PolarHBondContact SG-N 3.43Å; C285-C334 CovalentContact SG-SG 2.04Å; C285-C334 PolarHBondContact SG-SG 2.95Å; N332-C334 PolarHBondContact O-N 3.24Å; N332-C334 VanDerWaalsContact O-N 3.12Å; C334-I336 PolarHBondContact O-N 3.45Å
335	H	96.4	Very high	96.2	Very high	29 Å²	29	34.5 Å²	34.5	13%	0.134	16%	0.161	C	C	.	.	G	3₁₀ helix	trans	62.5	19.3	178	-54.9	-67.3	0	0	0	115.7	Q286 E288 P290 N332 M333 A337 N338	Q286-H335 PolarHBondContact O-CE1 3.32Å; Q286-H335 PolarHBondContact O-NE2 2.8Å; Q286-H335 PolarHBondContact OE1-CE1 3.2Å; E288-H335 PolarHBondContact O-CD2 2.99Å; E288-H335 VanDerWaalsContact O-CD2 3.27Å; E288-H335 PolarHBondContact O-NE2 3.12Å; E288-H335 VanDerWaalsContact O-NE2 3.12Å; P290-H335 HydrophobicContact CB-CB 4.05Å; P290-H335 HydrophobicContact CG-CB 3.98Å; N332-H335 PolarHBondContact O-N 2.82Å; M333-H335 PolarHBondContact O-N 2.97Å; H335-A337 PolarHBondContact O-N 2.92Å; H335-N338 HydrophobicContact CB-CB 4.34Å; H335-N338 PolarHBondContact ND1-ND2 3.19Å; H335-N338 WeakPolarHBondContact O-CB 3.46Å; H335-N338 PolarHBondContact O-N 3.48Å
336	I	97.8	Very high	96.1	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	16%	0.161	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.7	-31.3	-171.4	-168.6	162.6	0	0	0	114.6	L252 V264 I266 V296 W308 V310 L326 N332 M333 C334	L252-I336 HydrophobicContact CD2-CG1 4.42Å; V264-I336 HydrophobicContact CB-CG1 4.36Å; V264-I336 WeakPolarHBondContact CB-O 3.43Å; V264-I336 HydrophobicContact CG2-CD1 4.38Å; V264-I336 HydrophobicContact CG2-CG1 3.87Å; I266-I336 HydrophobicContact CG2-CB 4Å; I266-I336 HydrophobicContact CG2-CD1 4.23Å; I266-I336 HydrophobicContact CG2-CG1 3.92Å; V296-I336 HydrophobicContact CG2-CD1 4.08Å; V296-I336 HydrophobicContact CG2-CG1 4.41Å; W308-I336 HydrophobicContact CB-CD1 4Å; W308-I336 HydrophobicContact CG-CD1 3.88Å; V310-I336 HydrophobicContact CG2-CD1 3.96Å; L326-I336 HydrophobicContact CD2-CB 4.2Å; L326-I336 HydrophobicContact CD2-CD1 3.65Å; L326-I336 HydrophobicContact CD2-CG1 4.46Å; N332-I336 PolarHBondContact OD1-N 3.42Å; M333-I336 WeakPolarHBondContact O-CG2 3.49Å; M333-I336 PolarHBondContact O-N 2.95Å; C334-I336 PolarHBondContact O-N 3.45Å
337	A	96.6	Very high	96	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	17%	0.17	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.9	-6.4	-180	0	0	0	0	0	114.9	D247 E249 L252 N332 H335 F339	D247-A337 WeakPolarHBondContact CA-O 3.29Å; E249-A337 HydrophobicContact CG-CB 3.96Å; L252-A337 HydrophobicContact CB-CB 4.39Å; L252-A337 HydrophobicContact CD2-CB 4.13Å; N332-A337 WeakPolarHBondContact OD1-CB 3.28Å; N332-A337 PolarHBondContact OD1-N 3.39Å; H335-A337 PolarHBondContact O-N 2.92Å; A337-F339 VanDerWaalsContact C-N 3.34Å; A337-F339 PolarHBondContact O-N 3.09Å
338	N	94.2	Very high	95.8	Very high	43 Å²	43	38.2 Å²	38.2	23%	0.23	18%	0.179	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.1	-32.2	-174	-73.1	8.2	0	0	0	113.1	N332 H335	N332-N338 PolarHBondContact ND2-OD1 2.94Å; H335-N338 HydrophobicContact CB-CB 4.34Å; H335-N338 PolarHBondContact ND1-ND2 3.19Å; H335-N338 WeakPolarHBondContact O-CB 3.46Å; H335-N338 PolarHBondContact O-N 3.48Å
339	F	93.6	Very high	95.7	Very high	64 Å²	64	39.7 Å²	39.7	28%	0.281	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	-135.9	60.9	-169.2	-60.7	-71.9	0	0	0	110.7	V264 R265 P290 A337 Y341	V264-F339 WeakPolarHBondContact CA-O 3.42Å; R265-F339 HydrophobicContact CB-CB 4.02Å; R265-F339 HydrophobicContact CB-CD2 4.45Å; R265-F339 HydrophobicContact CG-CB 3.96Å; R265-F339 PolarHBondContact N-O 3.41Å; P290-F339 HydrophobicContact CB-CD2 4.42Å; P290-F339 HydrophobicContact CG-CD2 3.85Å; P290-F339 HydrophobicContact CG-CE2 3.55Å; A337-F339 VanDerWaalsContact C-N 3.34Å; A337-F339 PolarHBondContact O-N 3.09Å; F339-Y341 HydrophobicContact CB-CE2 4.09Å
340	A	95.8	Very high	95.7	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	17%	0.168	C	C	.	.			trans	-97.9	130.2	178.3	0	0	0	0	0	111.4	Q244 V245 L252 I262 A263 V264	Q244-A340 WeakPolarHBondContact CA-O 3.34Å; V245-A340 HydrophobicContact CB-CB 3.88Å; V245-A340 HydrophobicContact CG2-CB 4.09Å; V245-A340 PolarHBondContact N-O 3.2Å; L252-A340 HydrophobicContact CD1-CB 3.8Å; I262-A340 HydrophobicContact CG2-CB 3.98Å; A263-A340 CarbonylContact O-C 3.54Å; A263-A340 WeakPolarHBondContact O-CA 3.37Å; V264-A340 HydrophobicContact CG1-CB 3.91Å
341	Y	96.1	Very high	95.6	Very high	26 Å²	26	32.8 Å²	32.8	10%	0.102	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	148	-177.8	-59.3	-97.7	0	0	0	112	V201 Y242 I243 Q244 I262 A263 F339	V201-Y341 HydrophobicContact CB-CD2 4.43Å; V201-Y341 HydrophobicContact CG1-CD2 4.39Å; V201-Y341 HydrophobicContact CG1-CG 4.34Å; Y242-Y341 HydrophobicContact CD2-CD1 4.3Å; I243-Y341 VanDerWaalsContact O-CA 3.25Å; I243-Y341 WeakPolarHBondContact O-CA 3.42Å; Q244-Y341 HydrophobicContact CB-CD1 3.76Å; Q244-Y341 HydrophobicContact CB-CE1 3.5Å; Q244-Y341 VanDerWaalsContact CB-CE1 3.5Å; Q244-Y341 HydrophobicContact CG-CD1 4.01Å; Q244-Y341 HydrophobicContact CG-CE1 3.51Å; Q244-Y341 HydrophobicContact CG-CE2 4.41Å; Q244-Y341 PolarHBondContact NE2-OH 3.16Å; Q244-Y341 PolarHBondContact OE1-OH 2.88Å; I262-Y341 WeakPolarHBondContact CG2-O 3.43Å; A263-Y341 PolarHBondContact N-O 3.36Å; A263-Y341 PolarHBondContact O-N 3.33Å; F339-Y341 HydrophobicContact CB-CE2 4.09Å
342	Y	96.3	Very high	95.7	Very high	4 Å²	4	21.6 Å²	21.6	2%	0.016	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	144.7	166.8	61.9	-92.8	0	0	0	111.4	N126 Y242 I243 V245 I259 I262 V344	N126-Y342 WeakPolarHBondContact CB-OH 3.49Å; N126-Y342 PolarHBondContact ND2-OH 3.31Å; Y242-Y342 VanDerWaalsContact CA-O 3.32Å; Y242-Y342 WeakPolarHBondContact CA-O 3.42Å; Y242-Y342 WeakPolarHBondContact CB-O 3.47Å; I243-Y342 HydrophobicContact CB-CD1 4.22Å; I243-Y342 HydrophobicContact CB-CD2 4.24Å; I243-Y342 HydrophobicContact CB-CE1 3.71Å; I243-Y342 HydrophobicContact CB-CE2 3.72Å; I243-Y342 HydrophobicContact CB-CG 4.48Å; I243-Y342 VanDerWaalsContact CB-CZ 3.45Å; I243-Y342 HydrophobicContact CG1-CD2 4.36Å; I243-Y342 HydrophobicContact CG1-CE1 4.42Å; I243-Y342 HydrophobicContact CG1-CE2 3.59Å; I243-Y342 HydrophobicContact CG2-CE1 3.73Å; I243-Y342 HydrophobicContact CG2-CE2 4.43Å; I243-Y342 PolarHBondContact N-O 3.24Å; I243-Y342 PolarHBondContact O-N 3Å; I243-Y342 VanDerWaalsContact O-N 3.09Å; V245-Y342 HydrophobicContact CG2-CD1 3.93Å; V245-Y342 HydrophobicContact CG2-CE1 3.91Å; I259-Y342 HydrophobicContact CD1-CE2 4.44Å; I259-Y342 HydrophobicContact CG1-CE1 4.28Å; I259-Y342 HydrophobicContact CG1-CE2 4.37Å; I259-Y342 HydrophobicContact CG2-CD1 4.34Å; I259-Y342 HydrophobicContact CG2-CD2 3.6Å; I259-Y342 HydrophobicContact CG2-CE2 3.82Å; I259-Y342 HydrophobicContact CG2-CG 3.86Å; I262-Y342 HydrophobicContact CD1-CD1 3.89Å; I262-Y342 HydrophobicContact CD1-CG 4.14Å; Y342-V344 HydrophobicContact CD2-CG2 4.36Å; Y342-V344 HydrophobicContact CE2-CG2 4.09Å
343	P	96.6	Very high	95.6	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	153.3	174	29.3	-28.1	0	0	0	111.2	L168 Q171 F205 I239	L168-P343 HydrophobicContact CB-CG 3.89Å; L168-P343 HydrophobicContact CD1-CB 4.11Å; L168-P343 HydrophobicContact CD1-CG 3.93Å; Q171-P343 HydrophobicContact CB-CG 4.49Å; Q171-P343 HydrophobicContact CG-CG 3.96Å; F205-P343 HydrophobicContact CD1-CB 4.13Å; F205-P343 HydrophobicContact CE1-CB 3.81Å; F205-P343 HydrophobicContact CE1-CG 3.85Å; F205-P343 HydrophobicContact CZ-CB 4.16Å; F205-P343 HydrophobicContact CZ-CG 4.02Å; I239-P343 HydrophobicContact CB-CB 4.37Å; I239-P343 HydrophobicContact CD1-CB 4.23Å; I239-P343 HydrophobicContact CG2-CB 3.67Å
344	V	95	Very high	95.5	Very high	44 Å²	44	21.9 Å²	21.9	27%	0.267	11%	0.108	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	118	171.9	-177.5	0	0	0	0	107.7	I239 S240 S241 I243 Y342	I239-V344 CarbonylContact C-O 3.57Å; I239-V344 WeakPolarHBondContact CA-O 3.39Å; I239-V344 WeakPolarHBondContact CB-O 3.4Å; S240-V344 PolarHBondContact N-O 3.44Å; S240-V344 PolarHBondContact OG-O 3.32Å; S241-V344 PolarHBondContact N-O 3.28Å; S241-V344 PolarHBondContact O-N 3.43Å; I243-V344 HydrophobicContact CD1-CG2 4.43Å; I243-V344 HydrophobicContact CG1-CG2 3.79Å; Y342-V344 HydrophobicContact CD2-CG2 4.36Å; Y342-V344 HydrophobicContact CE2-CG2 4.09Å
345	I	90.4	Very high	95.3	Very high	53 Å²	53	23.9 Å²	23.9	27%	0.272	12%	0.118	S	C	.	.			trans	-75.4	0	177.7	-56.8	175.9	0	0	0	109.7	L168 Q171 V172 K175 S240	L168-I345 HydrophobicContact CD1-CD1 4.29Å; L168-I345 HydrophobicContact CD1-CG1 4.01Å; Q171-I345 HydrophobicContact CB-CD1 3.8Å; Q171-I345 HydrophobicContact CB-CG1 4.16Å; Q171-I345 WeakPolarHBondContact O-CD1 3.41Å; V172-I345 HydrophobicContact CB-CD1 4Å; V172-I345 HydrophobicContact CG2-CD1 3.48Å; V172-I345 VanDerWaalsContact CG2-CD1 3.48Å; V172-I345 VanDerWaalsContact N-CD1 3.26Å; K175-I345 HydrophobicContact CB-CD1 4.32Å; K175-I345 HydrophobicContact CD-CB 3.66Å; K175-I345 HydrophobicContact CD-CD1 4.33Å; K175-I345 HydrophobicContact CD-CG2 3.67Å; K175-I345 VanDerWaalsContact NZ-C 3.29Å; K175-I345 PolarHBondContact NZ-O 3.08Å; S240-I345 PolarHBondContact N-OXT 2.83Å; S240-I345 PolarHBondContact OG-OXT 3.01Å

Retrieved 345 of 345 residues in 182.9 ms (Link to these results)

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