A0A096NVK0_PAPAN Loading...

Ras homolog family member J

AlphaFold DB (G7MY93), UniProt , Accession A0A096NVK0, Species PAPAN (Papio anubis, Olive baboon), Gene RHOJ, Length 214 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	35.1	Very low	38.8	Very low	239 Å²	239	144.3 Å²	144.3	100%	1.177	85%	0.851	S	S	*	*				0	127.2	0	-69.3	133.1	167.1	0	0	106.9
2	N	33.8	Very low	38.7	Very low	160 Å²	160	138.8 Å²	138.8	86%	0.856	85%	0.847	S	S	*	*			cis	-161	147.7	-12.8	-123.7	4.9	0	0	0	105.5
3	C	36.4	Very low	38.8	Very low	112 Å²	112	136 Å²	136	76%	0.757	84%	0.835	S	S	*	*			trans	-57.3	155.3	175.6	-51	0	0	0	0	113.5
4	K	39.9	Very low	39.5	Very low	216 Å²	216	144.1 Å²	144.1	94%	0.939	84%	0.843	S	S	*	*			trans	-146.7	128.8	132.3	-77.5	-158.6	176.4	179.9	0	111.3
5	E	40.2	Very low	40.1	Very low	195 Å²	195	138.4 Å²	138.4	91%	0.911	83%	0.827	S	S	*	*			trans	-83.9	163.9	174.2	-67.3	165.4	129.1	0	0	112.3
6	G	37.3	Very low	40.8	Very low	67 Å²	67	140.1 Å²	140.1	69%	0.691	83%	0.83	S	S	*	*			trans	117.6	109.6	145.7	0	0	0	0	0	115.7
7	T	39.3	Very low	42.2	Very low	147 Å²	147	141.3 Å²	141.3	90%	0.902	83%	0.832	S	S	*	*				-170.5	136.6	92.9	37.2	0	0	0	0	111.3
8	D	43.2	Very low	43.9	Very low	167 Å²	167	143.5 Å²	143.5	89%	0.893	83%	0.833	S	S	*	*			trans	-46.4	140.2	171.9	-86.8	-49	0	0	0	115.2
9	G	37.4	Very low	45.8	Very low	81 Å²	81	140.4 Å²	140.4	84%	0.835	81%	0.808	S	S	*	*			trans	-139.8	77.5	162.8	0	0	0	0	0	109.2
10	S	40.8	Very low	47.9	Very low	106 Å²	106	139.1 Å²	139.1	74%	0.741	79%	0.793	S	S	*	*			trans	-55.8	140.1	-176.9	55.9	0	0	0	0	115.4
11	C	43.5	Very low	50	Low	97 Å²	97	136.4 Å²	136.4	66%	0.655	77%	0.774	S	S	*	*			trans	20.7	100.6	149	169.6	0	0	0	0	117.2	C13	C11-C13 WeakPolarHBondContact CB-SG 3.31Å; C11-C13 WeakPolarHBondContact SG-CB 3.19Å; C11-C13 PolarHBondContact SG-N 2.08Å; C11-C13 VanDerWaalsContact SG-N 3.44Å; C11-C13 CovalentContact SG-SG 2.08Å; C11-C13 PolarHBondContact SG-SG 3.44Å
12	G	37	Very low	52.9	Low	78 Å²	78	125 Å²	125	80%	0.804	72%	0.718	S	S	*	*			trans	-97.7	66.8	147.2	0	0	0	0	0	109	R14	G12-R14 VanDerWaalsContact C-N 3.27Å; G12-R14 PolarHBondContact O-N 2.86Å
13	C	40.9	Very low	55.9	Low	103 Å²	103	118.6 Å²	118.6	70%	0.696	68%	0.683	S	S	*	*			trans	-67.2	90.1	173.4	-50.4	0	0	0	0	107.3	C11 G15	C11-C13 WeakPolarHBondContact CB-SG 3.31Å; C11-C13 WeakPolarHBondContact SG-CB 3.19Å; C11-C13 PolarHBondContact SG-N 2.08Å; C11-C13 VanDerWaalsContact SG-N 3.44Å; C11-C13 CovalentContact SG-SG 2.08Å; C11-C13 PolarHBondContact SG-SG 3.44Å; C13-G15 PolarHBondContact O-N 2.8Å
14	R	48.3	Very low	58.8	Low	249 Å²	249	113.2 Å²	113.2	94%	0.94	65%	0.647	S	S	*	*			trans	-66.3	84.3	170.4	-77	-175.5	175.3	-160.9	-1.1	107.3	G12 N16	G12-R14 VanDerWaalsContact C-N 3.27Å; G12-R14 PolarHBondContact O-N 2.86Å; R14-N16 PolarHBondContact O-N 3.26Å
15	G	48.3	Very low	61.6	Low	59 Å²	59	103 Å²	103	61%	0.608	60%	0.602	S	S	*	*			trans	-54	126	166	0	0	0	0	0	107.5	C13 D17	C13-G15 PolarHBondContact O-N 2.8Å; G15-D17 PolarHBondContact O-N 3.42Å
16	N	52.3	Low	64.4	Low	165 Å²	165	93.7 Å²	93.7	88%	0.882	56%	0.559	S	S	*	*			trans	-57.1	106.7	163.8	-124.6	3	0	0	0	105.3	R14 E18	R14-N16 PolarHBondContact O-N 3.26Å; N16-E18 PolarHBondContact O-N 3.15Å
17	D	63.7	Low	67.3	Low	161 Å²	161	90.5 Å²	90.5	86%	0.861	53%	0.526	S	S	*	.			trans	-69.2	77	171.4	-89.2	-37.7	0	0	0	107.4	G15 K19	G15-D17 PolarHBondContact O-N 3.42Å; D17-K19 PolarHBondContact O-N 2.96Å
18	E	72.3	Confident	70.1	Confident	181 Å²	181	83.5 Å²	83.5	85%	0.846	48%	0.483	S	S	*	.			trans	-63.7	110.1	175.1	-166.9	171	-164	0	0	107.2	N16 K20	N16-E18 PolarHBondContact O-N 3.15Å; E18-K20 PolarHBondContact O-N 2.75Å
19	K	79.8	Confident	72.7	Confident	84 Å²	84	76.6 Å²	76.6	37%	0.365	45%	0.446	S	S	.	.			trans	-60.3	112.3	-179.1	-67.6	-178.3	175.5	-173	0	108.2	D17 M21 L70	D17-K19 PolarHBondContact O-N 2.96Å; K19-M21 PolarHBondContact O-N 2.98Å; K19-M21 VanDerWaalsContact O-N 3.14Å; K19-L70 HydrophobicContact CB-CD1 4.11Å; K19-L70 HydrophobicContact CB-CG 3.93Å; K19-L70 HydrophobicContact CD-CD1 4.47Å; K19-L70 HydrophobicContact CD-CD2 4.2Å; K19-L70 HydrophobicContact CD-CG 4.04Å
20	K	87.9	Confident	75.4	Confident	114 Å²	114	74 Å²	74	50%	0.496	42%	0.42	S	S	.	.			trans	-56.6	122.2	174.4	-177.8	-175.9	178.1	-170.8	0	109	E18 L22 L70	E18-K20 PolarHBondContact O-N 2.75Å; K20-L22 HydrophobicContact CD-CD2 4.16Å; K20-L22 HydrophobicContact CG-CD2 4.33Å; K20-L70 PolarHBondContact O-N 2.95Å; K20-L70 VanDerWaalsContact O-N 3.17Å
21	M	92.4	Very high	78	Confident	83 Å²	83	72.5 Å²	72.5	41%	0.409	41%	0.413	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	130	170.8	-176.5	64.1	76.6	0	0	109.4	K19 L70	K19-M21 PolarHBondContact O-N 2.98Å; K19-M21 VanDerWaalsContact O-N 3.14Å; M21-L70 CarbonylContact C-O 3.57Å; M21-L70 WeakPolarHBondContact CA-O 3.38Å; M21-L70 HydrophobicContact CE-CB 3.85Å; M21-L70 HydrophobicContact CE-CD1 4Å; M21-L70 HydrophobicContact SD-CB 3.7Å
22	L	95.9	Very high	80.5	Confident	0 Å²	0	67.9 Å²	67.9	0%	0	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	135.5	171.4	-55	-178.6	0	0	0	107.5	K20 H69 L70 L71 G72 D94 I194 F195	K20-L22 HydrophobicContact CD-CD2 4.16Å; K20-L22 HydrophobicContact CG-CD2 4.33Å; L22-H69 HydrophobicContact CD1-CB 3.91Å; L22-H69 HydrophobicContact CG-CB 4.2Å; L22-L70 PolarHBondContact N-O 3.21Å; L22-L71 HydrophobicContact CB-CD1 3.94Å; L22-G72 PolarHBondContact O-N 2.88Å; L22-D94 VanDerWaalsContact CA-OD2 3.32Å; L22-D94 WeakPolarHBondContact CA-OD2 3.44Å; L22-I194 HydrophobicContact CB-CD1 4.01Å; L22-I194 HydrophobicContact CD1-CD1 4.27Å; L22-I194 HydrophobicContact CD2-CG2 4.17Å; L22-F195 HydrophobicContact CD1-CE2 3.86Å; L22-F195 HydrophobicContact CD1-CZ 4.03Å; L22-F195 HydrophobicContact CD2-CZ 4.33Å
23	K	97.2	Very high	83.4	Confident	25 Å²	25	64.9 Å²	64.9	11%	0.109	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	116.3	-177.7	177.1	163.2	177.1	-176.1	0	111.7	V25 Y74 S89 P91 D94 V95	K23-V25 HydrophobicContact CG-CG2 4.17Å; K23-Y74 HydrophobicContact CB-CE2 4.2Å; K23-Y74 HydrophobicContact CD-CD2 4.1Å; K23-Y74 HydrophobicContact CD-CE1 4.44Å; K23-Y74 HydrophobicContact CD-CE2 3.67Å; K23-Y74 HydrophobicContact CG-CD2 3.66Å; K23-Y74 HydrophobicContact CG-CE2 3.47Å; K23-Y74 VanDerWaalsContact CG-CE2 3.47Å; K23-S89 WeakPolarHBondContact CE-O 3.37Å; K23-S89 PolarHBondContact NZ-O 2.83Å; K23-P91 PolarHBondContact NZ-O 3.35Å; K23-D94 PolarHBondContact N-OD2 3.22Å; K23-D94 PolarHBondContact O-N 2.87Å; K23-V95 PolarHBondContact O-N 2.95Å
24	C	97.9	Very high	86	Confident	0 Å²	0	60.5 Å²	60.5	0%	0	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	117.5	173.9	177.3	0	0	0	0	109.9	L71 G72 L73 Y74 V95	C24-L71 HydrophobicContact CB-CD1 3.88Å; C24-G72 PolarHBondContact N-O 3.26Å; C24-L73 HydrophobicContact CB-CD2 4.26Å; C24-Y74 PolarHBondContact O-N 2.76Å; C24-V95 WeakPolarHBondContact CA-O 3.4Å; C24-V95 HydrophobicContact CB-CG1 3.92Å
25	V	98.3	Very high	88.2	Confident	0 Å²	0	49.9 Å²	49.9	0%	0	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	134.6	177.7	178.5	0	0	0	0	110	K23 V27 Y74 T76 Y90 T93 V95 F96 L97	K23-V25 HydrophobicContact CG-CG2 4.17Å; V25-V27 HydrophobicContact CG1-CG1 4.24Å; V25-Y74 HydrophobicContact CG2-CG 4.26Å; V25-T76 HydrophobicContact CG1-CG2 3.8Å; V25-Y90 HydrophobicContact CG1-CD1 4.12Å; V25-Y90 HydrophobicContact CG1-CE1 4.06Å; V25-T93 HydrophobicContact CB-CG2 4.02Å; V25-T93 HydrophobicContact CG2-CG2 3.71Å; V25-T93 VanDerWaalsContact CG2-OG1 3.22Å; V25-T93 WeakPolarHBondContact CG2-OG1 3.22Å; V25-V95 PolarHBondContact N-O 2.64Å; V25-V95 VanDerWaalsContact N-O 3.1Å; V25-F96 HydrophobicContact CB-CD1 3.63Å; V25-F96 HydrophobicContact CB-CE1 3.61Å; V25-F96 HydrophobicContact CG1-CD1 3.89Å; V25-F96 HydrophobicContact CG1-CE1 3.7Å; V25-F96 HydrophobicContact CG2-CE1 4.23Å; V25-F96 CarbonylContact O-C 3.44Å; V25-F96 VanDerWaalsContact O-CA 3.3Å; V25-F96 WeakPolarHBondContact O-CA 3.3Å; V25-L97 PolarHBondContact O-N 3.2Å
26	V	98.2	Very high	90.4	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	125.9	-179.5	-168.7	0	0	0	0	110.1	K34 L38 Y74 T76 L97 C99	V26-K34 HydrophobicContact CG1-CB 3.86Å; V26-K34 HydrophobicContact CG1-CD 4.01Å; V26-K34 HydrophobicContact CG1-CG 3.89Å; V26-L38 HydrophobicContact CB-CD1 4.3Å; V26-L38 HydrophobicContact CG2-CD1 3.85Å; V26-L38 HydrophobicContact CG2-CD2 3.51Å; V26-L38 HydrophobicContact CG2-CG 3.94Å; V26-Y74 PolarHBondContact N-O 3.46Å; V26-T76 PolarHBondContact O-OG1 3Å; V26-L97 WeakPolarHBondContact CA-O 3.2Å; V26-L97 HydrophobicContact CB-CB 4.5Å; V26-L97 HydrophobicContact CG1-CB 4.17Å; V26-L97 HydrophobicContact CG2-CB 4.2Å; V26-L97 HydrophobicContact CG2-CD1 4.12Å; V26-L97 HydrophobicContact CG2-CG 4.46Å; V26-C99 VanDerWaalsContact CG1-SG 3.54Å
27	V	98.4	Very high	92.5	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	166.5	179	-57.5	0	0	0	0	110.9	V25 K34 Y90 F96 L97 I98 C99 W115 L119	V25-V27 HydrophobicContact CG1-CG1 4.24Å; V27-K34 VanDerWaalsContact C-CD 3.44Å; V27-Y90 HydrophobicContact CG1-CE1 3.96Å; V27-Y90 WeakPolarHBondContact CG1-OH 3.45Å; V27-F96 HydrophobicContact CG1-CD1 4.4Å; V27-L97 PolarHBondContact N-O 3.32Å; V27-I98 HydrophobicContact CG2-CB 4.39Å; V27-I98 HydrophobicContact CG2-CG1 4.02Å; V27-I98 HydrophobicContact CG2-CG2 4.39Å; V27-C99 PolarHBondContact O-N 2.87Å; V27-W115 HydrophobicContact CB-CE3 3.91Å; V27-W115 HydrophobicContact CB-CZ3 4.17Å; V27-W115 HydrophobicContact CG2-CE3 4.24Å; V27-L119 HydrophobicContact CG1-CD2 4.44Å; V27-L119 HydrophobicContact CG2-CD1 4.02Å; V27-L119 HydrophobicContact CG2-CD2 4.48Å; V27-L119 HydrophobicContact CG2-CG 4.46Å
28	G	98.3	Very high	93.9	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	136.8	167.3	-174.5	0	0	0	0	0	111.7	K34 G78 C99 W115	G28-K34 WeakPolarHBondContact O-CE 3.3Å; G28-K34 PolarHBondContact O-NZ 3.11Å; G28-G78 WeakPolarHBondContact O-CA 3.48Å; G28-C99 WeakPolarHBondContact CA-O 3.37Å; G28-W115 WeakPolarHBondContact O-CH2 3.29Å; G28-W115 VanDerWaalsContact O-CZ2 3.27Å; G28-W115 WeakPolarHBondContact O-CZ2 3.42Å
29	D	97.8	Very high	94.8	Very high	22 Å²	22	26 Å²	26	12%	0.118	15%	0.148	C	C	.	.			trans	-54	161	-175.9	-74.6	24.7	0	0	0	113.8	V32 K34 S107 N110 W115	D29-V32 HydrophobicContact CB-CG1 3.67Å; D29-V32 VanDerWaalsContact O-CG2 3.28Å; D29-V32 WeakPolarHBondContact O-CG2 3.35Å; D29-K34 PolarHBondContact O-NZ 3.35Å; D29-S107 VanDerWaalsContact OD2-CA 3.29Å; D29-S107 WeakPolarHBondContact OD2-CA 3.33Å; D29-S107 WeakPolarHBondContact OD2-CB 3.42Å; D29-N110 WeakPolarHBondContact OD1-CB 3.45Å; D29-N110 PolarHBondContact OD1-ND2 3.05Å; D29-N110 PolarHBondContact OD2-ND2 3.39Å; D29-W115 PolarHBondContact OD1-NE1 3.16Å
30	G	94.7	Very high	95.5	Very high	28 Å²	28	22 Å²	22	29%	0.289	13%	0.13	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.4	145.8	165.3	0	0	0	0	0	111.8	V32 G78	G30-V32 PolarHBondContact O-N 3.34Å; G30-G78 PolarHBondContact N-O 2.62Å
31	A	94.2	Very high	95.7	Very high	73 Å²	73	18.9 Å²	18.9	60%	0.603	12%	0.116	S	C	*	.	T	Hydrogen-bonded Turn	trans	60	10.5	174.7	0	0	0	0	0	117.3	G33 Q134	A31-G33 PolarHBondContact O-N 2.86Å; A31-Q134 PolarHBondContact O-NE2 2.84Å
32	V	97.6	Very high	95.5	Very high	1 Å²	1	16.3 Å²	16.3	1%	0.006	11%	0.108	C	C	.	.	S	Bend	trans	-77.2	0.8	172.7	-54.7	0	0	0	0	113.5	D29 G30 K34 C99 T133 Q134	D29-V32 HydrophobicContact CB-CG1 3.67Å; D29-V32 VanDerWaalsContact O-CG2 3.28Å; D29-V32 WeakPolarHBondContact O-CG2 3.35Å; G30-V32 PolarHBondContact O-N 3.34Å; V32-K34 HydrophobicContact CG2-CD 4.39Å; V32-K34 HydrophobicContact CG2-CG 3.75Å; V32-C99 HydrophobicContact CG2-CB 3.92Å; V32-T133 VanDerWaalsContact O-CB 3.29Å; V32-T133 WeakPolarHBondContact O-CB 3.47Å; V32-T133 PolarHBondContact O-OG1 2.83Å; V32-Q134 VanDerWaalsContact C-NE2 3.33Å; V32-Q134 PolarHBondContact O-NE2 2.85Å
33	G	96	Very high	95.1	Very high	14 Å²	14	20.8 Å²	20.8	14%	0.144	13%	0.132	C	C	.	.	S	Bend	trans	86.7	26.9	175	0	0	0	0	0	115.8	A31 C36 L37	A31-G33 PolarHBondContact O-N 2.86Å; G33-C36 PolarHBondContact O-N 3.42Å; G33-L37 VanDerWaalsContact O-CB 3.32Å; G33-L37 WeakPolarHBondContact O-CB 3.43Å; G33-L37 PolarHBondContact O-N 3.32Å
34	K	96.9	Very high	94.5	Very high	11 Å²	11	25.6 Å²	25.6	5%	0.048	16%	0.159	C	C	.	.	H	α-helix	trans	-57.7	-51	173.8	-57.8	-172.2	-58.5	-75.5	0	112.1	V26 V27 G28 D29 V32 C36 L37 L38 T76 C99	V26-K34 HydrophobicContact CG1-CB 3.86Å; V26-K34 HydrophobicContact CG1-CD 4.01Å; V26-K34 HydrophobicContact CG1-CG 3.89Å; V27-K34 VanDerWaalsContact C-CD 3.44Å; G28-K34 WeakPolarHBondContact O-CE 3.3Å; G28-K34 PolarHBondContact O-NZ 3.11Å; D29-K34 PolarHBondContact O-NZ 3.35Å; V32-K34 HydrophobicContact CG2-CD 4.39Å; V32-K34 HydrophobicContact CG2-CG 3.75Å; K34-C36 PolarHBondContact O-N 3.41Å; K34-L37 VanDerWaalsContact O-CB 3.32Å; K34-L37 WeakPolarHBondContact O-CB 3.24Å; K34-L37 PolarHBondContact O-N 2.79Å; K34-L38 WeakPolarHBondContact O-CG 3.16Å; K34-L38 PolarHBondContact O-N 2.9Å; K34-T76 WeakPolarHBondContact CE-O 3.48Å; K34-C99 HydrophobicContact CG-CB 4.05Å
35	T	94.4	Very high	93.6	Very high	27 Å²	27	28 Å²	28	17%	0.166	18%	0.179	C	C	.	.	H	α-helix	trans	-61.2	-46.3	177.7	-43.2	0	0	0	0	111.7	L37 L38 M39 T53 D75	T35-L37 VanDerWaalsContact C-N 3.32Å; T35-L37 PolarHBondContact O-N 2.84Å; T35-L38 PolarHBondContact O-N 2.78Å; T35-M39 HydrophobicContact CG2-CG 4.32Å; T35-M39 VanDerWaalsContact O-CB 3.32Å; T35-M39 WeakPolarHBondContact O-CB 3.45Å; T35-M39 WeakPolarHBondContact O-CG 3.42Å; T35-M39 PolarHBondContact O-N 2.74Å; T35-T53 WeakPolarHBondContact CG2-OG1 3.49Å; T35-T53 PolarHBondContact OG1-OG1 3.24Å; T35-D75 VanDerWaalsContact CA-OD2 3.28Å; T35-D75 WeakPolarHBondContact CA-OD2 3.25Å; T35-D75 WeakPolarHBondContact CB-OD2 3.26Å; T35-D75 WeakPolarHBondContact CG2-OD2 3.32Å; T35-D75 PolarHBondContact OG1-OD2 3.1Å
36	C	94.4	Very high	92.4	Very high	21 Å²	21	31.9 Å²	31.9	14%	0.142	20%	0.196	C	C	.	.	H	α-helix	trans	-61.2	-39.7	176.5	-60.4	0	0	0	0	112.4	G33 K34 S40 F46 A177	G33-C36 PolarHBondContact O-N 3.42Å; K34-C36 PolarHBondContact O-N 3.41Å; C36-S40 WeakPolarHBondContact O-CB 3.43Å; C36-S40 PolarHBondContact O-N 3.14Å; C36-F46 HydrophobicContact CB-CD2 4.48Å; C36-F46 HydrophobicContact CB-CE2 3.74Å; C36-F46 HydrophobicContact CB-CZ 4.31Å; C36-A177 HydrophobicContact CB-CB 3.86Å
37	L	95.7	Very high	91.5	Very high	1 Å²	1	33.4 Å²	33.4	1%	0.005	21%	0.205	C	C	.	.	H	α-helix	trans	-58.8	-50.8	175.2	177.6	80.5	0	0	0	110.8	G33 K34 T35 Y41 L97 C175 L183 F187	G33-L37 VanDerWaalsContact O-CB 3.32Å; G33-L37 WeakPolarHBondContact O-CB 3.43Å; G33-L37 PolarHBondContact O-N 3.32Å; K34-L37 VanDerWaalsContact O-CB 3.32Å; K34-L37 WeakPolarHBondContact O-CB 3.24Å; K34-L37 PolarHBondContact O-N 2.79Å; T35-L37 VanDerWaalsContact C-N 3.32Å; T35-L37 PolarHBondContact O-N 2.84Å; L37-Y41 WeakPolarHBondContact O-CB 3.44Å; L37-Y41 PolarHBondContact O-N 2.78Å; L37-L97 HydrophobicContact CD2-CD1 4.2Å; L37-C175 WeakPolarHBondContact CD1-SG 3.48Å; L37-L183 HydrophobicContact CD1-CD1 3.34Å; L37-L183 HydrophobicContact CG-CD1 4.14Å; L37-F187 HydrophobicContact CD1-CE2 4.37Å; L37-F187 HydrophobicContact CD2-CZ 4.33Å; L37-F187 HydrophobicContact CG-CE2 4.17Å; L37-F187 HydrophobicContact CG-CZ 4.03Å
38	L	94.3	Very high	90.3	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	25%	0.25	C	C	.	.	H	α-helix	trans	-66.9	-48.3	-178.1	-66.6	177.8	0	0	0	111.9	V26 K34 T35 Y41 A42 L73 D75 F187	V26-L38 HydrophobicContact CB-CD1 4.3Å; V26-L38 HydrophobicContact CG2-CD1 3.85Å; V26-L38 HydrophobicContact CG2-CD2 3.51Å; V26-L38 HydrophobicContact CG2-CG 3.94Å; K34-L38 WeakPolarHBondContact O-CG 3.16Å; K34-L38 PolarHBondContact O-N 2.9Å; T35-L38 PolarHBondContact O-N 2.78Å; L38-Y41 PolarHBondContact O-N 3.3Å; L38-A42 WeakPolarHBondContact O-CB 3.3Å; L38-A42 PolarHBondContact O-N 3.31Å; L38-L73 HydrophobicContact CD2-CB 3.85Å; L38-L73 HydrophobicContact CD2-CD1 4.2Å; L38-L73 HydrophobicContact CD2-CD2 4.08Å; L38-L73 HydrophobicContact CD2-CG 4.26Å; L38-D75 HydrophobicContact CD1-CB 3.44Å; L38-D75 VanDerWaalsContact CD1-CB 3.44Å; L38-F187 HydrophobicContact CD2-CE1 3.9Å; L38-F187 HydrophobicContact CD2-CZ 3.84Å
39	M	91.4	Very high	89.1	Confident	41 Å²	41	50.7 Å²	50.7	20%	0.202	29%	0.286	C	S	.	.	H	α-helix	trans	-63.5	-44	-179.8	-75.2	-66.7	-84.3	0	0	112.2	T35 Y41 A42 N43 P47 Y58	T35-M39 HydrophobicContact CG2-CG 4.32Å; T35-M39 VanDerWaalsContact O-CB 3.32Å; T35-M39 WeakPolarHBondContact O-CB 3.45Å; T35-M39 WeakPolarHBondContact O-CG 3.42Å; T35-M39 PolarHBondContact O-N 2.74Å; M39-Y41 PolarHBondContact O-N 3.41Å; M39-A42 PolarHBondContact O-N 2.84Å; M39-N43 WeakPolarHBondContact CE-ND2 3.46Å; M39-N43 WeakPolarHBondContact O-CB 3.35Å; M39-N43 PolarHBondContact O-N 3.16Å; M39-N43 PolarHBondContact O-ND2 3.2Å; M39-P47 HydrophobicContact CB-CG 4.24Å; M39-Y58 HydrophobicContact SD-CD1 4.25Å; M39-Y58 HydrophobicContact SD-CE1 3.39Å; M39-Y58 WeakPolarHBondContact SD-CE1 3.45Å; M39-Y58 HydrophobicContact SD-CE2 4.05Å; M39-Y58 PolarHBondContact SD-OH 3.17Å
40	S	92.9	Very high	87.5	Confident	0 Å²	0	56.2 Å²	56.2	0%	0	31%	0.306	C	S	.	.	H	α-helix	trans	-64.2	-30.5	178.5	-174.9	0	0	0	0	112.6	C36 D44 A45 A177 L183	C36-S40 WeakPolarHBondContact O-CB 3.43Å; C36-S40 PolarHBondContact O-N 3.14Å; S40-D44 WeakPolarHBondContact O-CA 3.43Å; S40-D44 PolarHBondContact O-N 3.11Å; S40-A45 VanDerWaalsContact CA-O 3.3Å; S40-A45 WeakPolarHBondContact CA-O 3.46Å; S40-A177 PolarHBondContact OG-O 3.42Å; S40-L183 VanDerWaalsContact OG-CD2 3.3Å; S40-L183 WeakPolarHBondContact OG-CD2 3.35Å
41	Y	92.4	Very high	86.4	Confident	49 Å²	49	59.7 Å²	59.7	19%	0.192	32%	0.322	C	S	.	.	H	α-helix	trans	-80.2	-39.9	177.5	175.9	-113.5	0	0	0	111.9	L37 L38 M39 V60 L71 L73 L183 F187	L37-Y41 WeakPolarHBondContact O-CB 3.44Å; L37-Y41 PolarHBondContact O-N 2.78Å; L38-Y41 PolarHBondContact O-N 3.3Å; M39-Y41 PolarHBondContact O-N 3.41Å; Y41-V60 HydrophobicContact CE1-CG2 3.72Å; Y41-L71 HydrophobicContact CE1-CD2 4.32Å; Y41-L73 HydrophobicContact CD1-CD1 3.84Å; Y41-L73 HydrophobicContact CE1-CD1 4.31Å; Y41-L183 HydrophobicContact CD2-CG 4.48Å; Y41-F187 HydrophobicContact CD1-CB 4.31Å; Y41-F187 AromaticContact CD1-CD1 3.75Å; Y41-F187 HydrophobicContact CD1-CD1 3.75Å; Y41-F187 AromaticContact CD1-CD2 3.48Å; Y41-F187 HydrophobicContact CD1-CD2 3.48Å; Y41-F187 VanDerWaalsContact CD1-CD2 3.48Å; Y41-F187 AromaticContact CD1-CE1 3.85Å; Y41-F187 HydrophobicContact CD1-CE1 3.85Å; Y41-F187 AromaticContact CD1-CE2 3.6Å; Y41-F187 HydrophobicContact CD1-CE2 3.6Å; Y41-F187 AromaticContact CD1-CG 3.55Å; Y41-F187 HydrophobicContact CD1-CG 3.55Å; Y41-F187 AromaticContact CD1-CZ 3.76Å; Y41-F187 HydrophobicContact CD1-CZ 3.76Å; Y41-F187 HydrophobicContact CD2-CB 4.27Å; Y41-F187 AromaticContact CD2-CD2 3.34Å; Y41-F187 HydrophobicContact CD2-CD2 3.34Å; Y41-F187 AromaticContact CD2-CE2 3.87Å; Y41-F187 HydrophobicContact CD2-CE2 3.87Å; Y41-F187 AromaticContact CD2-CG 3.94Å; Y41-F187 HydrophobicContact CD2-CG 3.94Å; Y41-F187 HydrophobicContact CE1-CB 3.74Å; Y41-F187 AromaticContact CE1-CD1 3.69Å; Y41-F187 HydrophobicContact CE1-CD1 3.69Å; Y41-F187 AromaticContact CE1-CD2 3.82Å; Y41-F187 HydrophobicContact CE1-CD2 3.82Å; Y41-F187 HydrophobicContact CE1-CE1 4.24Å; Y41-F187 HydrophobicContact CE1-CE2 4.36Å; Y41-F187 AromaticContact CE1-CG 3.44Å; Y41-F187 HydrophobicContact CE1-CG 3.44Å; Y41-F187 VanDerWaalsContact CE1-CG 3.44Å; Y41-F187 HydrophobicContact CE2-CB 3.72Å; Y41-F187 AromaticContact CE2-CD2 3.72Å; Y41-F187 HydrophobicContact CE2-CD2 3.72Å; Y41-F187 AromaticContact CE2-CG 3.86Å; Y41-F187 HydrophobicContact CE2-CG 3.86Å; Y41-F187 HydrophobicContact CG-CD1 4.36Å; Y41-F187 AromaticContact CG-CD2 3.22Å; Y41-F187 HydrophobicContact CG-CD2 3.22Å; Y41-F187 HydrophobicContact CG-CE1 4.41Å; Y41-F187 AromaticContact CG-CE2 3.3Å; Y41-F187 HydrophobicContact CG-CE2 3.3Å; Y41-F187 AromaticContact CG-CG 3.79Å; Y41-F187 HydrophobicContact CG-CG 3.79Å; Y41-F187 AromaticContact CG-CZ 3.91Å; Y41-F187 HydrophobicContact CG-CZ 3.91Å; Y41-F187 VanDerWaalsContact CZ-CB 3.43Å; Y41-F187 AromaticContact CZ-CD2 3.95Å; Y41-F187 AromaticContact CZ-CG 3.63Å
42	A	88.8	Confident	85.4	Confident	30 Å²	30	59.8 Å²	59.8	25%	0.248	32%	0.316	C	S	.	.	H	α-helix	trans	-69.8	-36.8	179.9	0	0	0	0	0	112.9	L38 M39 V60	L38-A42 WeakPolarHBondContact O-CB 3.3Å; L38-A42 PolarHBondContact O-N 3.31Å; M39-A42 PolarHBondContact O-N 2.84Å; A42-V60 HydrophobicContact CB-CG1 4.16Å
43	N	86.5	Confident	84.5	Confident	93 Å²	93	60.2 Å²	60.2	50%	0.497	32%	0.319	S	S	.	.	H	α-helix	trans	-106.5	-1.5	-171.9	-59.3	-32.9	0	0	0	114.1	M39 A45	M39-N43 WeakPolarHBondContact CE-ND2 3.46Å; M39-N43 WeakPolarHBondContact O-CB 3.35Å; M39-N43 PolarHBondContact O-N 3.16Å; M39-N43 PolarHBondContact O-ND2 3.2Å; N43-A45 PolarHBondContact O-N 3.38Å; N43-A45 VanDerWaalsContact O-N 3.1Å
44	D	84.6	Confident	83.2	Confident	127 Å²	127	62.9 Å²	62.9	68%	0.679	33%	0.332	S	S	*	.	S	Bend	trans	53.9	26.3	-173	-156.3	32.8	0	0	0	113.4	S40 Q180	S40-D44 WeakPolarHBondContact O-CA 3.43Å; S40-D44 PolarHBondContact O-N 3.11Å; D44-Q180 PolarHBondContact O-NE2 3.48Å
45	A	79.1	Confident	81.5	Confident	50 Å²	50	65.8 Å²	65.8	41%	0.413	35%	0.345	S	S	.	.	S	Bend	trans	-156	142.6	-175.5	0	0	0	0	0	111.6	S40 N43	S40-A45 VanDerWaalsContact CA-O 3.3Å; S40-A45 WeakPolarHBondContact CA-O 3.46Å; N43-A45 PolarHBondContact O-N 3.38Å; N43-A45 VanDerWaalsContact O-N 3.1Å
46	F	74.8	Confident	80.6	Confident	82 Å²	82	67.9 Å²	67.9	36%	0.36	36%	0.355	S	S	.	.			trans	-73.8	137.7	176.9	-171.5	-96.9	0	0	0	111.1	C36 A177 L178	C36-F46 HydrophobicContact CB-CD2 4.48Å; C36-F46 HydrophobicContact CB-CE2 3.74Å; C36-F46 HydrophobicContact CB-CZ 4.31Å; F46-A177 VanDerWaalsContact CD2-C 3.47Å; F46-A177 HydrophobicContact CD2-CB 3.97Å; F46-A177 HydrophobicContact CE2-CB 3.91Å; F46-L178 HydrophobicContact CD1-CD1 3.94Å; F46-L178 VanDerWaalsContact CD2-CA 3.44Å; F46-L178 HydrophobicContact CD2-CB 4.2Å; F46-L178 HydrophobicContact CD2-CD1 4.39Å; F46-L178 HydrophobicContact CE1-CD1 4.21Å; F46-L178 HydrophobicContact CE2-CB 4.18Å; F46-L178 HydrophobicContact CG-CD1 4.03Å
47	P	78.6	Confident	79.9	Confident	31 Å²	31	71.2 Å²	71.2	20%	0.201	37%	0.368	C	S	.	.			trans	-69.1	131.8	179.3	27.7	-34.3	0	0	0	111.9	M39	M39-P47 HydrophobicContact CB-CG 4.24Å
48	E	73	Confident	79.3	Confident	200 Å²	200	74 Å²	74	94%	0.935	38%	0.379	S	S	*	.	S	Bend	trans	-77	-27	178.7	-64.8	-173.3	174.2	0	0	112.9
49	E	72.9	Confident	79	Confident	163 Å²	163	76.6 Å²	76.6	76%	0.762	40%	0.401	S	S	*	.	S	Bend	trans	-113.3	133.6	179.4	-65.7	-173.6	174.8	0	0	111.4
50	Y	65.3	Low	78.9	Confident	138 Å²	138	75.8 Å²	75.8	54%	0.541	40%	0.399	S	S	.	.			trans	-93.1	113.6	173.2	179.5	-104.6	0	0	0	110.5	P52	Y50-P52 HydrophobicContact CD1-CG 4.45Å; Y50-P52 HydrophobicContact CE1-CB 4.48Å; Y50-P52 HydrophobicContact CE1-CG 3.85Å
51	V	71.3	Confident	78.9	Confident	102 Å²	102	79.4 Å²	79.4	62%	0.618	42%	0.42	S	S	*	.			trans	-112.5	121.1	169.8	-177.8	0	0	0	0	107.9	T53	V51-T53 PolarHBondContact O-N 3.18Å
52	P	73.4	Confident	78.8	Confident	74 Å²	74	77.7 Å²	77.7	48%	0.481	42%	0.415	S	S	.	.			trans	-59.7	125.1	176.5	-23.1	32.1	0	0	0	112.1	Y50	Y50-P52 HydrophobicContact CD1-CG 4.45Å; Y50-P52 HydrophobicContact CE1-CB 4.48Å; Y50-P52 HydrophobicContact CE1-CG 3.85Å
53	T	77.4	Confident	78.8	Confident	10 Å²	10	80.8 Å²	80.8	6%	0.061	43%	0.431	C	S	.	.			trans	-76.5	135.2	-178.6	-55.5	0	0	0	0	112.4	T35 V51 D56 D75 A77	T35-T53 WeakPolarHBondContact CG2-OG1 3.49Å; T35-T53 PolarHBondContact OG1-OG1 3.24Å; V51-T53 PolarHBondContact O-N 3.18Å; T53-D56 HydrophobicContact CG2-CB 4.41Å; T53-D75 WeakPolarHBondContact CB-OD2 3.32Å; T53-D75 HydrophobicContact CG2-CB 3.93Å; T53-D75 WeakPolarHBondContact CG2-OD2 3.4Å; T53-D75 PolarHBondContact OG1-OD2 2.92Å; T53-A77 WeakPolarHBondContact O-CB 3.38Å
54	V	69.8	Low	78.8	Confident	71 Å²	71	78 Å²	78	43%	0.43	42%	0.418	S	S	.	.	S	Bend	trans	-94.4	-61.4	162.3	-178.8	0	0	0	0	108.9	A77 Y82	V54-A77 PolarHBondContact O-N 3.13Å; V54-Y82 HydrophobicContact CG1-CD1 4.35Å; V54-Y82 HydrophobicContact CG1-CE1 3.79Å; V54-Y82 HydrophobicContact CG2-CE1 4.31Å
55	F	60.5	Low	78.8	Confident	72 Å²	72	76.1 Å²	76.1	32%	0.316	43%	0.428	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-155	135.1	167.1	-71.6	-74.2	0	0	0	109.5	T76 L85 S89	F55-T76 HydrophobicContact CE1-CG2 4.26Å; F55-L85 HydrophobicContact CE2-CB 4.16Å; F55-L85 HydrophobicContact CZ-CB 4.24Å; F55-S89 VanDerWaalsContact CD1-OG 3.26Å; F55-S89 WeakPolarHBondContact CD1-OG 3.19Å; F55-S89 WeakPolarHBondContact CE1-OG 3.3Å
56	D	75.3	Confident	79.2	Confident	70 Å²	70	77.2 Å²	77.2	37%	0.374	44%	0.444	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	149.2	171.8	-76.4	-47.5	0	0	0	111	T53 Y58 D75	T53-D56 HydrophobicContact CG2-CB 4.41Å; D56-Y58 HydrophobicContact CB-CE2 3.65Å; D56-D75 HydrophobicContact CB-CB 4.25Å; D56-D75 PolarHBondContact O-N 3.02Å
57	H	79.9	Confident	79.8	Confident	91 Å²	91	80.4 Å²	80.4	42%	0.421	46%	0.458	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	123.7	177.5	169.6	-97.4	0	0	0	111	L73 Y74	H57-L73 WeakPolarHBondContact CA-O 3.46Å; H57-Y74 AromaticContact CD2-CD2 3.97Å; H57-Y74 AromaticContact CD2-CE1 3.78Å; H57-Y74 AromaticContact CD2-CE2 3.53Å; H57-Y74 AromaticContact CD2-CZ 3.42Å; H57-Y74 VanDerWaalsContact CD2-CZ 3.42Å; H57-Y74 AromaticContact NE2-CE2 3.92Å; H57-Y74 AromaticContact NE2-CZ 3.89Å
58	Y	83.6	Confident	80.4	Confident	59 Å²	59	83.9 Å²	83.9	23%	0.231	47%	0.471	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	148.9	173.7	-53.8	-88.5	0	0	0	109.5	M39 D56 G72 L73	M39-Y58 HydrophobicContact SD-CD1 4.25Å; M39-Y58 HydrophobicContact SD-CE1 3.39Å; M39-Y58 WeakPolarHBondContact SD-CE1 3.45Å; M39-Y58 HydrophobicContact SD-CE2 4.05Å; M39-Y58 PolarHBondContact SD-OH 3.17Å; D56-Y58 HydrophobicContact CB-CE2 3.65Å; Y58-G72 CarbonylContact O-C 3.55Å; Y58-G72 WeakPolarHBondContact O-CA 3.4Å; Y58-L73 PolarHBondContact N-O 2.76Å; Y58-L73 PolarHBondContact O-N 3.48Å
59	A	87.8	Confident	81.4	Confident	56 Å²	56	75.3 Å²	75.3	46%	0.463	43%	0.431	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	128.1	174.2	0	0	0	0	0	110.3	L71	A59-L71 WeakPolarHBondContact CA-O 3.24Å
60	V	90.2	Very high	82.4	Confident	24 Å²	24	69.7 Å²	69.7	15%	0.145	41%	0.406	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	143.8	175.2	-61	0	0	0	0	110.5	Y41 A42 V62 L71 L73	Y41-V60 HydrophobicContact CE1-CG2 3.72Å; A42-V60 HydrophobicContact CB-CG1 4.16Å; V60-V62 HydrophobicContact CG2-CG1 4.04Å; V60-L71 HydrophobicContact CG2-CB 3.91Å; V60-L71 HydrophobicContact CG2-CD2 4.23Å; V60-L71 HydrophobicContact CG2-CG 4.46Å; V60-L71 PolarHBondContact N-O 3.14Å; V60-L71 PolarHBondContact O-N 3.34Å; V60-L73 HydrophobicContact CG1-CD1 4.42Å
61	T	91.1	Very high	83.8	Confident	75 Å²	75	63.1 Å²	63.1	46%	0.46	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	125.9	173.5	-64	0	0	0	0	109.4	Q68 H69	T61-Q68 HydrophobicContact CG2-CB 4.27Å; T61-Q68 HydrophobicContact CG2-CG 4.3Å; T61-H69 WeakPolarHBondContact CA-O 3.45Å
62	V	90.3	Very high	85	Confident	13 Å²	13	58.3 Å²	58.3	8%	0.079	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	149.8	178.2	-59	0	0	0	0	110.4	V60 V64 Q68 H69 L71 I191	V60-V62 HydrophobicContact CG2-CG1 4.04Å; V62-V64 HydrophobicContact CG2-CG2 4.41Å; V62-Q68 CarbonylContact O-C 3.56Å; V62-Q68 WeakPolarHBondContact O-CA 3.31Å; V62-H69 HydrophobicContact CG2-CB 3.92Å; V62-H69 PolarHBondContact N-O 2.84Å; V62-H69 PolarHBondContact O-N 3.3Å; V62-L71 HydrophobicContact CG1-CB 4.23Å; V62-L71 HydrophobicContact CG2-CB 4.33Å; V62-I191 HydrophobicContact CB-CD1 4.01Å; V62-I191 HydrophobicContact CG1-CD1 3.85Å; V62-I191 HydrophobicContact CG2-CD1 3.98Å
63	T	88.8	Confident	86	Confident	96 Å²	96	54.8 Å²	54.8	59%	0.589	33%	0.328	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-113	121.6	177.5	-58.5	0	0	0	0	110	K67	T63-K67 CarbonylContact C-O 3.57Å; T63-K67 WeakPolarHBondContact CA-O 3.47Å
64	V	87.3	Confident	86.9	Confident	35 Å²	35	57.1 Å²	57.1	21%	0.212	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	121.5	-178.7	-172.5	0	0	0	0	108.7	V62 G66 K67 I191 F195	V62-V64 HydrophobicContact CG2-CG2 4.41Å; V64-G66 PolarHBondContact O-N 3.45Å; V64-G66 VanDerWaalsContact O-N 3.15Å; V64-K67 PolarHBondContact N-O 3.31Å; V64-K67 PolarHBondContact O-N 3.48Å; V64-I191 HydrophobicContact CG2-CG2 3.38Å; V64-F195 HydrophobicContact CB-CE2 4.16Å; V64-F195 HydrophobicContact CG1-CD2 3.97Å; V64-F195 HydrophobicContact CG1-CE2 3.92Å; V64-F195 HydrophobicContact CG2-CE2 4.01Å
65	G	84.8	Confident	88	Confident	86 Å²	86	53.8 Å²	53.8	89%	0.887	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.9	33.2	-179.4	0	0	0	0	0	113.7	K67	G65-K67 VanDerWaalsContact C-N 3.3Å; G65-K67 PolarHBondContact O-N 3.02Å
66	G	86.5	Confident	89.6	Confident	73 Å²	73	50.4 Å²	50.4	75%	0.753	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	79.5	0.8	-177.6	0	0	0	0	0	115.6	V64	V64-G66 PolarHBondContact O-N 3.45Å; V64-G66 VanDerWaalsContact O-N 3.15Å
67	K	89.3	Confident	90.4	Very high	150 Å²	150	47.2 Å²	47.2	65%	0.652	29%	0.285	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-106.3	139.9	176.1	-65.8	-174.3	178.1	-174.9	0	111.4	T63 V64 G65 H69	T63-K67 CarbonylContact C-O 3.57Å; T63-K67 WeakPolarHBondContact CA-O 3.47Å; V64-K67 PolarHBondContact N-O 3.31Å; V64-K67 PolarHBondContact O-N 3.48Å; G65-K67 VanDerWaalsContact C-N 3.3Å; G65-K67 PolarHBondContact O-N 3.02Å; K67-H69 PolarHBondContact O-CD2 3Å
68	Q	90.7	Very high	90.7	Very high	104 Å²	104	43.4 Å²	43.4	49%	0.486	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	137	174.9	-68.9	-170.3	12.5	0	0	111.3	T61 V62	T61-Q68 HydrophobicContact CG2-CB 4.27Å; T61-Q68 HydrophobicContact CG2-CG 4.3Å; V62-Q68 CarbonylContact O-C 3.56Å; V62-Q68 WeakPolarHBondContact O-CA 3.31Å
69	H	92.8	Very high	90.9	Very high	19 Å²	19	44 Å²	44	9%	0.088	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	155	174.9	-63.3	-79.1	0	0	0	109.7	L22 T61 V62 K67 F195	L22-H69 HydrophobicContact CD1-CB 3.91Å; L22-H69 HydrophobicContact CG-CB 4.2Å; T61-H69 WeakPolarHBondContact CA-O 3.45Å; V62-H69 HydrophobicContact CG2-CB 3.92Å; V62-H69 PolarHBondContact N-O 2.84Å; V62-H69 PolarHBondContact O-N 3.3Å; K67-H69 PolarHBondContact O-CD2 3Å; H69-F195 AromaticContact CD2-CZ 3.95Å; H69-F195 AromaticContact CE1-CZ 3.82Å; H69-F195 AromaticContact NE2-CZ 3.66Å
70	L	93.8	Very high	90.8	Very high	46 Å²	46	48.9 Å²	48.9	24%	0.241	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	122.9	167.3	-69.5	173.1	0	0	0	107.9	K19 K20 M21 L22	K19-L70 HydrophobicContact CB-CD1 4.11Å; K19-L70 HydrophobicContact CB-CG 3.93Å; K19-L70 HydrophobicContact CD-CD1 4.47Å; K19-L70 HydrophobicContact CD-CD2 4.2Å; K19-L70 HydrophobicContact CD-CG 4.04Å; K20-L70 PolarHBondContact O-N 2.95Å; K20-L70 VanDerWaalsContact O-N 3.17Å; M21-L70 CarbonylContact C-O 3.57Å; M21-L70 WeakPolarHBondContact CA-O 3.38Å; M21-L70 HydrophobicContact CE-CB 3.85Å; M21-L70 HydrophobicContact CE-CD1 4Å; M21-L70 HydrophobicContact SD-CB 3.7Å; L22-L70 PolarHBondContact N-O 3.21Å
71	L	95.2	Very high	90.8	Very high	0 Å²	0	54.8 Å²	54.8	0%	0	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	106.2	172.2	-179.7	67.6	0	0	0	108.5	L22 C24 Y41 A59 V60 V62 L73 F187 I191	L22-L71 HydrophobicContact CB-CD1 3.94Å; C24-L71 HydrophobicContact CB-CD1 3.88Å; Y41-L71 HydrophobicContact CE1-CD2 4.32Å; A59-L71 WeakPolarHBondContact CA-O 3.24Å; V60-L71 HydrophobicContact CG2-CB 3.91Å; V60-L71 HydrophobicContact CG2-CD2 4.23Å; V60-L71 HydrophobicContact CG2-CG 4.46Å; V60-L71 PolarHBondContact N-O 3.14Å; V60-L71 PolarHBondContact O-N 3.34Å; V62-L71 HydrophobicContact CG1-CB 4.23Å; V62-L71 HydrophobicContact CG2-CB 4.33Å; L71-L73 HydrophobicContact CD2-CD2 3.79Å; L71-L73 HydrophobicContact CG-CD2 3.85Å; L71-F187 HydrophobicContact CD2-CD1 4.28Å; L71-I191 HydrophobicContact CD1-CG1 4.49Å; L71-I191 HydrophobicContact CD2-CD1 4.11Å; L71-I191 HydrophobicContact CD2-CG1 4.05Å
72	G	96	Very high	90.7	Very high	0 Å²	0	54.2 Å²	54.2	0%	0	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	122.1	169.2	0	0	0	0	0	110.4	L22 C24 Y58	L22-G72 PolarHBondContact O-N 2.88Å; C24-G72 PolarHBondContact N-O 3.26Å; Y58-G72 CarbonylContact O-C 3.55Å; Y58-G72 WeakPolarHBondContact O-CA 3.4Å
73	L	95.4	Very high	90.6	Very high	0 Å²	0	56.6 Å²	56.6	0%	0	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	114.6	179.4	-57.3	176.6	0	0	0	108	C24 L38 Y41 H57 Y58 V60 L71 F187	C24-L73 HydrophobicContact CB-CD2 4.26Å; L38-L73 HydrophobicContact CD2-CB 3.85Å; L38-L73 HydrophobicContact CD2-CD1 4.2Å; L38-L73 HydrophobicContact CD2-CD2 4.08Å; L38-L73 HydrophobicContact CD2-CG 4.26Å; Y41-L73 HydrophobicContact CD1-CD1 3.84Å; Y41-L73 HydrophobicContact CE1-CD1 4.31Å; H57-L73 WeakPolarHBondContact CA-O 3.46Å; Y58-L73 PolarHBondContact N-O 2.76Å; Y58-L73 PolarHBondContact O-N 3.48Å; V60-L73 HydrophobicContact CG1-CD1 4.42Å; L71-L73 HydrophobicContact CD2-CD2 3.79Å; L71-L73 HydrophobicContact CG-CD2 3.85Å; L73-F187 HydrophobicContact CD2-CD1 3.99Å; L73-F187 HydrophobicContact CD2-CE1 3.63Å
74	Y	95.8	Very high	90.7	Very high	59 Å²	59	60.5 Å²	60.5	23%	0.231	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	108.3	-176.9	-69.6	-104.1	0	0	0	109	K23 C24 V25 V26 H57	K23-Y74 HydrophobicContact CB-CE2 4.2Å; K23-Y74 HydrophobicContact CD-CD2 4.1Å; K23-Y74 HydrophobicContact CD-CE1 4.44Å; K23-Y74 HydrophobicContact CD-CE2 3.67Å; K23-Y74 HydrophobicContact CG-CD2 3.66Å; K23-Y74 HydrophobicContact CG-CE2 3.47Å; K23-Y74 VanDerWaalsContact CG-CE2 3.47Å; C24-Y74 PolarHBondContact O-N 2.76Å; V25-Y74 HydrophobicContact CG2-CG 4.26Å; V26-Y74 PolarHBondContact N-O 3.46Å; H57-Y74 AromaticContact CD2-CD2 3.97Å; H57-Y74 AromaticContact CD2-CE1 3.78Å; H57-Y74 AromaticContact CD2-CE2 3.53Å; H57-Y74 AromaticContact CD2-CZ 3.42Å; H57-Y74 VanDerWaalsContact CD2-CZ 3.42Å; H57-Y74 AromaticContact NE2-CE2 3.92Å; H57-Y74 AromaticContact NE2-CZ 3.89Å
75	D	94.2	Very high	90.9	Very high	1 Å²	1	62.8 Å²	62.8	1%	0.005	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	139.4	174.6	-161.5	10.6	0	0	0	110.1	T35 L38 T53 D56	T35-D75 VanDerWaalsContact CA-OD2 3.28Å; T35-D75 WeakPolarHBondContact CA-OD2 3.25Å; T35-D75 WeakPolarHBondContact CB-OD2 3.26Å; T35-D75 WeakPolarHBondContact CG2-OD2 3.32Å; T35-D75 PolarHBondContact OG1-OD2 3.1Å; L38-D75 HydrophobicContact CD1-CB 3.44Å; L38-D75 VanDerWaalsContact CD1-CB 3.44Å; T53-D75 WeakPolarHBondContact CB-OD2 3.32Å; T53-D75 HydrophobicContact CG2-CB 3.93Å; T53-D75 WeakPolarHBondContact CG2-OD2 3.4Å; T53-D75 PolarHBondContact OG1-OD2 2.92Å; D56-D75 HydrophobicContact CB-CB 4.25Å; D56-D75 PolarHBondContact O-N 3.02Å
76	T	94	Very high	91.4	Very high	2 Å²	2	58.7 Å²	58.7	1%	0.012	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	144.3	-179.5	72.5	0	0	0	0	111.9	V25 V26 K34 F55 G78 R86	V25-T76 HydrophobicContact CG1-CG2 3.8Å; V26-T76 PolarHBondContact O-OG1 3Å; K34-T76 WeakPolarHBondContact CE-O 3.48Å; F55-T76 HydrophobicContact CE1-CG2 4.26Å; T76-G78 PolarHBondContact O-N 3.21Å; T76-R86 HydrophobicContact CG2-CG 4.27Å
77	A	90.6	Very high	91.8	Very high	3 Å²	3	57 Å²	57	3%	0.025	28%	0.277	C	S	.	.			trans	-63.1	133.4	173.7	0	0	0	0	0	111.4	T53 V54 Y82 R86	T53-A77 WeakPolarHBondContact O-CB 3.38Å; V54-A77 PolarHBondContact O-N 3.13Å; A77-Y82 HydrophobicContact CB-CD1 4.16Å; A77-Y82 HydrophobicContact CB-CD2 3.43Å; A77-Y82 VanDerWaalsContact CB-CD2 3.43Å; A77-Y82 HydrophobicContact CB-CE2 4.08Å; A77-Y82 HydrophobicContact CB-CG 3.48Å; A77-Y82 VanDerWaalsContact CB-CG 3.48Å; A77-R86 PolarHBondContact O-NE 3.23Å; A77-R86 PolarHBondContact O-NH2 3.26Å
78	G	86.9	Confident	92	Very high	11 Å²	11	56.1 Å²	56.1	11%	0.113	28%	0.278	C	S	.	.			trans	-96.1	-1.4	179.3	0	0	0	0	0	114.7	G28 G30 T76	G28-G78 WeakPolarHBondContact O-CA 3.48Å; G30-G78 PolarHBondContact N-O 2.62Å; T76-G78 PolarHBondContact O-N 3.21Å
79	Q	87.4	Confident	92.2	Very high	70 Å²	70	52.1 Å²	52.1	33%	0.327	26%	0.262	S	S	.	.	S	Bend	trans	-81.4	151	176	-53.7	98.4	-16.4	0	0	111.1	D81 Y82 R86	Q79-D81 PolarHBondContact O-N 3.2Å; Q79-Y82 HydrophobicContact CB-CD2 4.15Å; Q79-Y82 PolarHBondContact O-N 3.29Å; Q79-Y82 VanDerWaalsContact O-N 3.15Å; Q79-R86 PolarHBondContact O-NH2 2.93Å
80	E	85.6	Confident	92.4	Very high	160 Å²	160	51.3 Å²	51.3	75%	0.748	26%	0.258	S	S	*	.	G	3₁₀ helix	trans	-61	-30.8	178.7	-67.3	176.7	-167.5	0	0	113.1	Y82 N83	E80-Y82 PolarHBondContact O-N 3.5Å; E80-N83 WeakPolarHBondContact CA-OD1 3.39Å; E80-N83 VanDerWaalsContact O-CB 3.27Å; E80-N83 WeakPolarHBondContact O-CB 3.26Å; E80-N83 PolarHBondContact O-N 3.13Å
81	D	89.9	Confident	92.5	Very high	147 Å²	147	52.3 Å²	52.3	79%	0.786	27%	0.267	S	S	*	.	G	3₁₀ helix	trans	-54.5	-22.8	176.2	-64.1	-25.4	0	0	0	112.9	Q79	Q79-D81 PolarHBondContact O-N 3.2Å
82	Y	89	Confident	92.5	Very high	63 Å²	63	59.1 Å²	59.1	25%	0.247	30%	0.303	C	S	.	.	G	3₁₀ helix	trans	-103.8	5.9	-179.5	-61.4	-82.5	0	0	0	114	V54 A77 Q79 E80 Q84 L85 R86	V54-Y82 HydrophobicContact CG1-CD1 4.35Å; V54-Y82 HydrophobicContact CG1-CE1 3.79Å; V54-Y82 HydrophobicContact CG2-CE1 4.31Å; A77-Y82 HydrophobicContact CB-CD1 4.16Å; A77-Y82 HydrophobicContact CB-CD2 3.43Å; A77-Y82 VanDerWaalsContact CB-CD2 3.43Å; A77-Y82 HydrophobicContact CB-CE2 4.08Å; A77-Y82 HydrophobicContact CB-CG 3.48Å; A77-Y82 VanDerWaalsContact CB-CG 3.48Å; Q79-Y82 HydrophobicContact CB-CD2 4.15Å; Q79-Y82 PolarHBondContact O-N 3.29Å; Q79-Y82 VanDerWaalsContact O-N 3.15Å; E80-Y82 PolarHBondContact O-N 3.5Å; Y82-Q84 PolarHBondContact O-N 2.85Å; Y82-Q84 VanDerWaalsContact O-N 3.14Å; Y82-L85 HydrophobicContact CD1-CD1 4.14Å; Y82-L85 PolarHBondContact O-N 3.01Å; Y82-R86 WeakPolarHBondContact O-CB 3.47Å; Y82-R86 PolarHBondContact O-N 2.91Å
83	N	89.7	Confident	92.6	Very high	63 Å²	63	59.5 Å²	59.5	34%	0.337	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.9	-33.8	-177.3	-76.3	-6.4	0	0	0	113.5	E80 R86 P87	E80-N83 WeakPolarHBondContact CA-OD1 3.39Å; E80-N83 VanDerWaalsContact O-CB 3.27Å; E80-N83 WeakPolarHBondContact O-CB 3.26Å; E80-N83 PolarHBondContact O-N 3.13Å; N83-R86 VanDerWaalsContact OD1-CZ 3.28Å; N83-R86 PolarHBondContact OD1-NH1 2.88Å; N83-R86 PolarHBondContact OD1-NH2 2.96Å; N83-P87 WeakPolarHBondContact O-CD 3.37Å
84	Q	90.7	Very high	92.8	Very high	179 Å²	179	62 Å²	62	84%	0.836	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.2	-26.2	177.9	-63.4	-174.3	10.3	0	0	113.3	Y82	Y82-Q84 PolarHBondContact O-N 2.85Å; Y82-Q84 VanDerWaalsContact O-N 3.14Å
85	L	91.3	Very high	92.9	Very high	82 Å²	82	59.2 Å²	59.2	43%	0.429	31%	0.308	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.9	-34.2	-177.4	-64.5	177.3	0	0	0	111.8	F55 Y82 P87 L88	F55-L85 HydrophobicContact CE2-CB 4.16Å; F55-L85 HydrophobicContact CZ-CB 4.24Å; Y82-L85 HydrophobicContact CD1-CD1 4.14Å; Y82-L85 PolarHBondContact O-N 3.01Å; L85-P87 VanDerWaalsContact C-CD 3.5Å; L85-L88 HydrophobicContact CD2-CD1 4.1Å; L85-L88 VanDerWaalsContact O-CB 3.23Å; L85-L88 WeakPolarHBondContact O-CB 3.35Å; L85-L88 WeakPolarHBondContact O-CG 3.12Å; L85-L88 PolarHBondContact O-N 3Å
86	R	94.7	Very high	93.1	Very high	1 Å²	1	59.2 Å²	59.2	0%	0.004	31%	0.308	C	S	.	.	G	3₁₀ helix	trans	-52.7	-44.6	-178	-166.3	-169.6	-54.9	116.6	5.4	113.3	T76 A77 Q79 Y82 N83 L88 S89 Y90 W115 E118	T76-R86 HydrophobicContact CG2-CG 4.27Å; A77-R86 PolarHBondContact O-NE 3.23Å; A77-R86 PolarHBondContact O-NH2 3.26Å; Q79-R86 PolarHBondContact O-NH2 2.93Å; Y82-R86 WeakPolarHBondContact O-CB 3.47Å; Y82-R86 PolarHBondContact O-N 2.91Å; N83-R86 VanDerWaalsContact OD1-CZ 3.28Å; N83-R86 PolarHBondContact OD1-NH1 2.88Å; N83-R86 PolarHBondContact OD1-NH2 2.96Å; R86-L88 PolarHBondContact O-N 3.12Å; R86-L88 VanDerWaalsContact O-N 3.09Å; R86-S89 WeakPolarHBondContact O-CB 3.44Å; R86-S89 PolarHBondContact O-N 2.99Å; R86-Y90 WeakPolarHBondContact CD-OH 3.14Å; R86-Y90 HydrophobicContact CG-CE1 4.08Å; R86-Y90 WeakPolarHBondContact CG-OH 3.09Å; R86-W115 VanDerWaalsContact CZ-CH2 3.47Å; R86-W115 VanDerWaalsContact CZ-CZ3 3.43Å; R86-E118 IonicContact NH1-OE1 3.48Å; R86-E118 PolarHBondContact NH1-OE1 2.92Å; R86-E118 IonicContact NH1-OE2 2.79Å; R86-E118 PolarHBondContact NH1-OE2 2.95Å
87	P	95.2	Very high	93.3	Very high	37 Å²	37	59.1 Å²	59.1	24%	0.24	31%	0.308	C	S	.	.	G	3₁₀ helix	trans	-61.9	-20.6	179.8	-26	37.3	0	0	0	114.7	N83 L85 S89 Y90 P91	N83-P87 WeakPolarHBondContact O-CD 3.37Å; L85-P87 VanDerWaalsContact C-CD 3.5Å; P87-S89 PolarHBondContact O-N 2.91Å; P87-S89 VanDerWaalsContact O-N 3.17Å; P87-Y90 HydrophobicContact CB-CD2 4.07Å; P87-Y90 HydrophobicContact CB-CE2 4.22Å; P87-Y90 HydrophobicContact CG-CE2 4.33Å; P87-Y90 WeakPolarHBondContact O-CB 3.38Å; P87-Y90 PolarHBondContact O-N 2.95Å; P87-P91 WeakPolarHBondContact O-CD 3.3Å
88	L	93.6	Very high	93.7	Very high	132 Å²	132	59 Å²	59	69%	0.691	31%	0.306	S	S	*	.	G	3₁₀ helix	trans	-63.3	-20.7	175.2	-56.3	177.6	0	0	0	112.3	L85 R86 P91	L85-L88 HydrophobicContact CD2-CD1 4.1Å; L85-L88 VanDerWaalsContact O-CB 3.23Å; L85-L88 WeakPolarHBondContact O-CB 3.35Å; L85-L88 WeakPolarHBondContact O-CG 3.12Å; L85-L88 PolarHBondContact O-N 3Å; R86-L88 PolarHBondContact O-N 3.12Å; R86-L88 VanDerWaalsContact O-N 3.09Å; L88-P91 WeakPolarHBondContact O-CD 3.15Å
89	S	94.6	Very high	94.3	Very high	19 Å²	19	58.4 Å²	58.4	13%	0.133	30%	0.301	C	S	.	.	G	3₁₀ helix	trans	-84.8	-9.7	175.9	-70.7	0	0	0	0	114.1	K23 F55 R86 P87	K23-S89 WeakPolarHBondContact CE-O 3.37Å; K23-S89 PolarHBondContact NZ-O 2.83Å; F55-S89 VanDerWaalsContact CD1-OG 3.26Å; F55-S89 WeakPolarHBondContact CD1-OG 3.19Å; F55-S89 WeakPolarHBondContact CE1-OG 3.3Å; R86-S89 WeakPolarHBondContact O-CB 3.44Å; R86-S89 PolarHBondContact O-N 2.99Å; P87-S89 PolarHBondContact O-N 2.91Å; P87-S89 VanDerWaalsContact O-N 3.17Å
90	Y	97	Very high	94.8	Very high	3 Å²	3	55.1 Å²	55.1	1%	0.012	29%	0.285	C	S	.	.			trans	-81.6	-28.9	-171.6	-62.9	-9	0	0	0	117.1	V25 V27 R86 P87 N92 T93 F96 E118 L119 C122 M123	V25-Y90 HydrophobicContact CG1-CD1 4.12Å; V25-Y90 HydrophobicContact CG1-CE1 4.06Å; V27-Y90 HydrophobicContact CG1-CE1 3.96Å; V27-Y90 WeakPolarHBondContact CG1-OH 3.45Å; R86-Y90 WeakPolarHBondContact CD-OH 3.14Å; R86-Y90 HydrophobicContact CG-CE1 4.08Å; R86-Y90 WeakPolarHBondContact CG-OH 3.09Å; P87-Y90 HydrophobicContact CB-CD2 4.07Å; P87-Y90 HydrophobicContact CB-CE2 4.22Å; P87-Y90 HydrophobicContact CG-CE2 4.33Å; P87-Y90 WeakPolarHBondContact O-CB 3.38Å; P87-Y90 PolarHBondContact O-N 2.95Å; Y90-N92 PolarHBondContact O-N 3.05Å; Y90-T93 VanDerWaalsContact O-CB 3.31Å; Y90-T93 WeakPolarHBondContact O-CB 3.39Å; Y90-T93 PolarHBondContact O-N 2.93Å; Y90-T93 PolarHBondContact O-OG1 3.1Å; Y90-F96 AromaticContact CD1-CE1 3.6Å; Y90-F96 HydrophobicContact CD1-CE1 3.6Å; Y90-F96 AromaticContact CD1-CZ 3.95Å; Y90-F96 HydrophobicContact CD1-CZ 3.95Å; Y90-F96 HydrophobicContact CD2-CZ 4.5Å; Y90-F96 AromaticContact CE1-CE1 3.86Å; Y90-F96 HydrophobicContact CE1-CE1 3.86Å; Y90-F96 HydrophobicContact CG-CE1 4.06Å; Y90-F96 AromaticContact CG-CZ 3.93Å; Y90-F96 HydrophobicContact CG-CZ 3.93Å; Y90-E118 HydrophobicContact CE2-CG 4.35Å; Y90-E118 WeakPolarHBondContact CE2-OE1 3.32Å; Y90-E118 PolarHBondContact OH-OE1 3.23Å; Y90-L119 HydrophobicContact CD2-CD2 4.44Å; Y90-L119 HydrophobicContact CE1-CD2 4.45Å; Y90-L119 HydrophobicContact CE2-CD2 3.92Å; Y90-C122 HydrophobicContact CD2-CB 3.7Å; Y90-C122 HydrophobicContact CE2-CB 4.28Å; Y90-M123 HydrophobicContact CG-CG 4.48Å
91	P	96.5	Very high	95.5	Very high	67 Å²	67	47.5 Å²	47.5	44%	0.435	25%	0.25	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.6	139.6	179.3	-29.3	36.2	0	0	0	112.7	K23 P87 L88 T93	K23-P91 PolarHBondContact NZ-O 3.35Å; P87-P91 WeakPolarHBondContact O-CD 3.3Å; L88-P91 WeakPolarHBondContact O-CD 3.15Å; P91-T93 VanDerWaalsContact C-N 3.25Å; P91-T93 PolarHBondContact O-N 3.43Å
92	N	95.3	Very high	95.9	Very high	142 Å²	142	40.5 Å²	40.5	76%	0.759	21%	0.213	S	C	*	.	T	Hydrogen-bonded Turn	trans	62.1	23.7	-179.8	-47.3	-48.7	0	0	0	115.1	Y90	Y90-N92 PolarHBondContact O-N 3.05Å
93	T	98	Very high	96.3	Very high	9 Å²	9	37.7 Å²	37.7	6%	0.055	20%	0.202	C	C	.	.			trans	-73.5	131.4	174.8	-59.2	0	0	0	0	111.1	V25 Y90 P91 V95 F96 V126	V25-T93 HydrophobicContact CB-CG2 4.02Å; V25-T93 HydrophobicContact CG2-CG2 3.71Å; V25-T93 VanDerWaalsContact CG2-OG1 3.22Å; V25-T93 WeakPolarHBondContact CG2-OG1 3.22Å; Y90-T93 VanDerWaalsContact O-CB 3.31Å; Y90-T93 WeakPolarHBondContact O-CB 3.39Å; Y90-T93 PolarHBondContact O-N 2.93Å; Y90-T93 PolarHBondContact O-OG1 3.1Å; P91-T93 VanDerWaalsContact C-N 3.25Å; P91-T93 PolarHBondContact O-N 3.43Å; T93-V95 WeakPolarHBondContact CG2-O 3.08Å; T93-F96 HydrophobicContact CG2-CD1 4.14Å; T93-F96 HydrophobicContact CG2-CD2 3.94Å; T93-F96 HydrophobicContact CG2-CE1 3.94Å; T93-F96 HydrophobicContact CG2-CE2 3.72Å; T93-F96 HydrophobicContact CG2-CG 4.13Å; T93-F96 HydrophobicContact CG2-CZ 3.72Å; T93-V126 HydrophobicContact CG2-CG1 4.04Å; T93-V126 WeakPolarHBondContact O-CG1 3.46Å; T93-V126 WeakPolarHBondContact O-CG2 3.49Å
94	D	98	Very high	96.8	Very high	52 Å²	52	37.4 Å²	37.4	28%	0.278	20%	0.2	S	C	.	.	S	Bend	trans	-89.5	-33	176.4	-64.2	-66.8	0	0	0	111.9	L22 K23 P127 I194	L22-D94 VanDerWaalsContact CA-OD2 3.32Å; L22-D94 WeakPolarHBondContact CA-OD2 3.44Å; K23-D94 PolarHBondContact N-OD2 3.22Å; K23-D94 PolarHBondContact O-N 2.87Å; D94-P127 WeakPolarHBondContact O-CD 3.31Å; D94-I194 HydrophobicContact CB-CB 4.42Å; D94-I194 HydrophobicContact CB-CD1 3.78Å; D94-I194 HydrophobicContact CB-CG1 3.74Å; D94-I194 HydrophobicContact CB-CG2 3.86Å
95	V	98.5	Very high	97.1	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152	145.4	176.6	67.8	0	0	0	0	111.7	K23 C24 V25 T93 V129 A190 T193 I194	K23-V95 PolarHBondContact O-N 2.95Å; C24-V95 WeakPolarHBondContact CA-O 3.4Å; C24-V95 HydrophobicContact CB-CG1 3.92Å; V25-V95 PolarHBondContact N-O 2.64Å; V25-V95 VanDerWaalsContact N-O 3.1Å; T93-V95 WeakPolarHBondContact CG2-O 3.08Å; V95-V129 HydrophobicContact CG2-CG2 4.45Å; V95-A190 HydrophobicContact CG1-CB 4.16Å; V95-T193 HydrophobicContact CG2-CG2 3.7Å; V95-I194 HydrophobicContact CB-CD1 4.29Å; V95-I194 HydrophobicContact CB-CG1 3.77Å; V95-I194 HydrophobicContact CG1-CD1 3.71Å; V95-I194 HydrophobicContact CG1-CG1 3.75Å
96	F	98.8	Very high	97.4	Very high	1 Å²	1	27.8 Å²	27.8	0%	0.004	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	144.3	168.8	-70.8	-83.3	0	0	0	111.9	V25 V27 Y90 T93 L119 M123 V126 P127 Y128 V129	V25-F96 HydrophobicContact CB-CD1 3.63Å; V25-F96 HydrophobicContact CB-CE1 3.61Å; V25-F96 HydrophobicContact CG1-CD1 3.89Å; V25-F96 HydrophobicContact CG1-CE1 3.7Å; V25-F96 HydrophobicContact CG2-CE1 4.23Å; V25-F96 CarbonylContact O-C 3.44Å; V25-F96 VanDerWaalsContact O-CA 3.3Å; V25-F96 WeakPolarHBondContact O-CA 3.3Å; V27-F96 HydrophobicContact CG1-CD1 4.4Å; Y90-F96 AromaticContact CD1-CE1 3.6Å; Y90-F96 HydrophobicContact CD1-CE1 3.6Å; Y90-F96 AromaticContact CD1-CZ 3.95Å; Y90-F96 HydrophobicContact CD1-CZ 3.95Å; Y90-F96 HydrophobicContact CD2-CZ 4.5Å; Y90-F96 AromaticContact CE1-CE1 3.86Å; Y90-F96 HydrophobicContact CE1-CE1 3.86Å; Y90-F96 HydrophobicContact CG-CE1 4.06Å; Y90-F96 AromaticContact CG-CZ 3.93Å; Y90-F96 HydrophobicContact CG-CZ 3.93Å; T93-F96 HydrophobicContact CG2-CD1 4.14Å; T93-F96 HydrophobicContact CG2-CD2 3.94Å; T93-F96 HydrophobicContact CG2-CE1 3.94Å; T93-F96 HydrophobicContact CG2-CE2 3.72Å; T93-F96 HydrophobicContact CG2-CG 4.13Å; T93-F96 HydrophobicContact CG2-CZ 3.72Å; F96-L119 HydrophobicContact CB-CD1 3.9Å; F96-L119 HydrophobicContact CD1-CD1 4.18Å; F96-L119 HydrophobicContact CD1-CD2 3.7Å; F96-L119 HydrophobicContact CD2-CD1 4.2Å; F96-L119 HydrophobicContact CD2-CD2 4.22Å; F96-L119 HydrophobicContact CE1-CD2 3.57Å; F96-L119 HydrophobicContact CE2-CD2 4.1Å; F96-L119 HydrophobicContact CG-CD1 3.86Å; F96-L119 HydrophobicContact CG-CD2 4.04Å; F96-L119 HydrophobicContact CZ-CD2 3.79Å; F96-M123 HydrophobicContact CE2-CB 3.79Å; F96-M123 HydrophobicContact CE2-CG 4.04Å; F96-M123 HydrophobicContact CZ-CB 4.19Å; F96-M123 HydrophobicContact CZ-CG 3.96Å; F96-V126 HydrophobicContact CD2-CB 3.93Å; F96-V126 HydrophobicContact CD2-CG1 3.47Å; F96-V126 VanDerWaalsContact CD2-CG1 3.47Å; F96-V126 HydrophobicContact CE2-CB 3.77Å; F96-V126 HydrophobicContact CE2-CG1 3.6Å; F96-V126 HydrophobicContact CE2-CG2 4.27Å; F96-P127 PolarHBondContact N-O 2.95Å; F96-Y128 CarbonylContact O-C 3.39Å; F96-Y128 WeakPolarHBondContact O-CA 3.4Å; F96-V129 PolarHBondContact O-N 3.21Å
97	L	98.8	Very high	97.6	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	122.4	160.9	-59.6	-175.3	0	0	0	108.3	V25 V26 V27 L37 V129 I131 V186 F187 A190	V25-L97 PolarHBondContact O-N 3.2Å; V26-L97 WeakPolarHBondContact CA-O 3.2Å; V26-L97 HydrophobicContact CB-CB 4.5Å; V26-L97 HydrophobicContact CG1-CB 4.17Å; V26-L97 HydrophobicContact CG2-CB 4.2Å; V26-L97 HydrophobicContact CG2-CD1 4.12Å; V26-L97 HydrophobicContact CG2-CG 4.46Å; V27-L97 PolarHBondContact N-O 3.32Å; L37-L97 HydrophobicContact CD2-CD1 4.2Å; L97-V129 HydrophobicContact CD2-CB 3.88Å; L97-V129 HydrophobicContact CD2-CG2 4.39Å; L97-I131 HydrophobicContact CB-CG1 4.18Å; L97-I131 HydrophobicContact CD2-CD1 4.18Å; L97-I131 HydrophobicContact CD2-CG1 4.13Å; L97-V186 HydrophobicContact CD1-CG1 3.8Å; L97-V186 HydrophobicContact CD2-CG1 4.36Å; L97-F187 HydrophobicContact CD1-CE1 4.13Å; L97-A190 HydrophobicContact CD2-CB 4.04Å
98	I	98.8	Very high	97.8	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	113.4	172.3	-50.9	175.4	0	0	0	107.4	V27 V111 W115 V116 L119 Y128 V129 L130 I131	V27-I98 HydrophobicContact CG2-CB 4.39Å; V27-I98 HydrophobicContact CG2-CG1 4.02Å; V27-I98 HydrophobicContact CG2-CG2 4.39Å; I98-V111 HydrophobicContact CG2-CG1 4.03Å; I98-V111 HydrophobicContact CG2-CG2 4.05Å; I98-W115 HydrophobicContact CG2-CB 3.95Å; I98-W115 HydrophobicContact CG2-CG 4.43Å; I98-V116 HydrophobicContact CD1-CG2 3.83Å; I98-L119 HydrophobicContact CD1-CD1 3.77Å; I98-L119 HydrophobicContact CG1-CD1 3.8Å; I98-Y128 HydrophobicContact CD1-CD1 4.44Å; I98-Y128 HydrophobicContact CD1-CD2 3.7Å; I98-Y128 HydrophobicContact CD1-CE2 4.26Å; I98-Y128 HydrophobicContact CD1-CG 3.8Å; I98-Y128 HydrophobicContact CG1-CG 4.48Å; I98-V129 PolarHBondContact N-O 3.3Å; I98-L130 HydrophobicContact CB-CD1 4.33Å; I98-L130 HydrophobicContact CG2-CD1 4.4Å; I98-I131 PolarHBondContact O-N 3.39Å
99	C	98.8	Very high	98	Very high	0 Å²	0	26 Å²	26	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	137.3	-175.9	-65.3	0	0	0	0	111.8	V26 V27 G28 V32 K34 I131 T133	V26-C99 VanDerWaalsContact CG1-SG 3.54Å; V27-C99 PolarHBondContact O-N 2.87Å; G28-C99 WeakPolarHBondContact CA-O 3.37Å; V32-C99 HydrophobicContact CG2-CB 3.92Å; K34-C99 HydrophobicContact CG-CB 4.05Å; C99-I131 WeakPolarHBondContact CA-O 3.46Å; C99-T133 HydrophobicContact CB-CG2 4.14Å
100	F	98.9	Very high	98.2	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	155	162.6	73.1	-88.3	0	0	0	109	V102 S107 Y108 V111 L130 I131 G132 T133 L155 Y172	F100-V102 HydrophobicContact CE2-CG1 4.13Å; F100-S107 WeakPolarHBondContact CB-O 3.38Å; F100-Y108 HydrophobicContact CD2-CD2 4.2Å; F100-Y108 HydrophobicContact CE1-CD2 4.31Å; F100-Y108 AromaticContact CE2-CD2 3.87Å; F100-Y108 HydrophobicContact CE2-CD2 3.87Å; F100-Y108 AromaticContact CZ-CD2 3.91Å; F100-Y108 HydrophobicContact CZ-CD2 3.91Å; F100-V111 HydrophobicContact CB-CG2 4.04Å; F100-V111 HydrophobicContact CD1-CG2 4.25Å; F100-V111 HydrophobicContact CG-CG2 4.49Å; F100-L130 HydrophobicContact CD1-CD1 3.86Å; F100-L130 HydrophobicContact CD1-CG 4.3Å; F100-L130 HydrophobicContact CE1-CD1 4Å; F100-L130 HydrophobicContact CE1-CD2 4.07Å; F100-L130 HydrophobicContact CE1-CG 3.94Å; F100-I131 WeakPolarHBondContact CD1-O 3.35Å; F100-I131 PolarHBondContact N-O 3.46Å; F100-G132 WeakPolarHBondContact O-CA 3.46Å; F100-T133 PolarHBondContact O-N 3.11Å; F100-T133 PolarHBondContact O-OG1 3.01Å; F100-L155 HydrophobicContact CD2-CD1 3.75Å; F100-L155 HydrophobicContact CE2-CB 4.48Å; F100-L155 HydrophobicContact CE2-CD1 3.49Å; F100-L155 VanDerWaalsContact CE2-CD1 3.49Å; F100-Y172 HydrophobicContact CE1-CD2 4.49Å; F100-Y172 AromaticContact CE1-CE2 3.65Å; F100-Y172 HydrophobicContact CE1-CE2 3.65Å; F100-Y172 AromaticContact CZ-CE2 3.73Å; F100-Y172 HydrophobicContact CZ-CE2 3.73Å; F100-Y172 AromaticContact CZ-CZ 3.99Å; F100-Y172 WeakPolarHBondContact CZ-OH 3.34Å
101	S	98.8	Very high	98.3	Very high	1 Å²	1	27 Å²	27	1%	0.007	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	133.5	174.8	164.9	0	0	0	0	110.8	V103 N104 S107 T133 Q134	S101-V103 PolarHBondContact O-N 3.23Å; S101-V103 VanDerWaalsContact O-N 3.08Å; S101-V103 VanDerWaalsContact OG-CG2 3.24Å; S101-V103 WeakPolarHBondContact OG-CG2 3.39Å; S101-V103 PolarHBondContact OG-N 3.3Å; S101-N104 PolarHBondContact O-N 3.32Å; S101-S107 PolarHBondContact N-OG 3.14Å; S101-S107 VanDerWaalsContact N-OG 3.09Å; S101-T133 WeakPolarHBondContact CA-OG1 3.43Å; S101-Q134 VanDerWaalsContact CB-OE1 3.31Å; S101-Q134 PolarHBondContact OG-OE1 2.91Å
102	V	98.8	Very high	98.4	Very high	0 Å²	0	29.3 Å²	29.3	0%	0	16%	0.155	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.4	-9.7	178.4	-53.7	0	0	0	0	113.1	F100 T133 I135 R138 P154 L155	F100-V102 HydrophobicContact CE2-CG1 4.13Å; V102-T133 PolarHBondContact N-O 3.4Å; V102-I135 HydrophobicContact CG1-CG2 4.06Å; V102-I135 HydrophobicContact CG2-CB 4.49Å; V102-I135 HydrophobicContact CG2-CG2 4.11Å; V102-R138 HydrophobicContact CG2-CB 4.38Å; V102-P154 CarbonylContact O-C 3.39Å; V102-P154 WeakPolarHBondContact O-CA 3.35Å; V102-L155 HydrophobicContact CB-CB 4.4Å; V102-L155 PolarHBondContact O-N 3.05Å
103	V	98.6	Very high	98.5	Very high	4 Å²	4	28.4 Å²	28.4	2%	0.024	15%	0.146	C	C	.	.	T	Hydrogen-bonded Turn	trans	-113.3	16.4	175.5	-61.7	0	0	0	0	113	S101 Q134 L137 T143 R146 L147 P154	S101-V103 PolarHBondContact O-N 3.23Å; S101-V103 VanDerWaalsContact O-N 3.08Å; S101-V103 VanDerWaalsContact OG-CG2 3.24Å; S101-V103 WeakPolarHBondContact OG-CG2 3.39Å; S101-V103 PolarHBondContact OG-N 3.3Å; V103-Q134 HydrophobicContact CG2-CB 4.47Å; V103-L137 HydrophobicContact CB-CB 4.4Å; V103-L137 HydrophobicContact CG1-CB 3.76Å; V103-L137 HydrophobicContact CG2-CB 3.86Å; V103-L137 HydrophobicContact CG2-CD1 3.84Å; V103-L137 HydrophobicContact CG2-CG 4.5Å; V103-T143 HydrophobicContact CB-CG2 3.61Å; V103-T143 HydrophobicContact CG1-CG2 3.66Å; V103-T143 HydrophobicContact CG2-CG2 4.07Å; V103-R146 PolarHBondContact O-NH2 3.24Å; V103-L147 HydrophobicContact CB-CD1 4.17Å; V103-L147 HydrophobicContact CG1-CD1 4.46Å; V103-P154 HydrophobicContact CG1-CB 4.32Å
104	N	98.4	Very high	98.5	Very high	56 Å²	56	33.1 Å²	33.1	30%	0.299	17%	0.168	S	C	.	.			trans	-131.7	87.1	170.6	-177.2	-2.4	0	0	0	110.2	S101 A106 S107	S101-N104 PolarHBondContact O-N 3.32Å; N104-A106 VanDerWaalsContact C-N 3.27Å; N104-A106 PolarHBondContact O-N 3.24Å; N104-A106 PolarHBondContact OD1-N 2.88Å; N104-S107 PolarHBondContact O-N 2.9Å; N104-S107 VanDerWaalsContact O-N 3.08Å; N104-S107 PolarHBondContact O-OG 2.86Å; N104-S107 PolarHBondContact OD1-N 2.85Å
105	P	98.3	Very high	98.5	Very high	13 Å²	13	31.2 Å²	31.2	8%	0.084	16%	0.157	C	C	.	.	H	α-helix	trans	-55	-34.7	180	-29.5	38.4	0	0	0	115	S107 Y108 H109 E152	P105-S107 VanDerWaalsContact C-N 3.33Å; P105-S107 PolarHBondContact O-N 2.78Å; P105-Y108 WeakPolarHBondContact O-CB 3.16Å; P105-Y108 PolarHBondContact O-N 2.72Å; P105-Y108 VanDerWaalsContact O-N 3.14Å; P105-H109 PolarHBondContact O-CD2 3.19Å; P105-H109 PolarHBondContact O-N 2.82Å; P105-E152 WeakPolarHBondContact CD-OE2 3.47Å; P105-E152 HydrophobicContact CG-CB 4.22Å; P105-E152 HydrophobicContact CG-CG 4.42Å; P105-E152 WeakPolarHBondContact CG-OE2 3.34Å
106	A	98.2	Very high	98.5	Very high	46 Å²	46	31.4 Å²	31.4	38%	0.38	16%	0.158	S	C	.	.	H	α-helix	trans	-59.2	-44.2	175.7	0	0	0	0	0	111.7	N104 Y108 H109 N110	N104-A106 VanDerWaalsContact C-N 3.27Å; N104-A106 PolarHBondContact O-N 3.24Å; N104-A106 PolarHBondContact OD1-N 2.88Å; A106-Y108 PolarHBondContact O-N 3.45Å; A106-Y108 VanDerWaalsContact O-N 3.15Å; A106-H109 PolarHBondContact O-N 3.16Å; A106-N110 PolarHBondContact O-N 2.74Å
107	S	98.7	Very high	98.5	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-62.1	-25.8	178.3	72.1	0	0	0	0	113.8	D29 F100 S101 N104 P105 V111	D29-S107 VanDerWaalsContact OD2-CA 3.29Å; D29-S107 WeakPolarHBondContact OD2-CA 3.33Å; D29-S107 WeakPolarHBondContact OD2-CB 3.42Å; F100-S107 WeakPolarHBondContact CB-O 3.38Å; S101-S107 PolarHBondContact N-OG 3.14Å; S101-S107 VanDerWaalsContact N-OG 3.09Å; N104-S107 PolarHBondContact O-N 2.9Å; N104-S107 VanDerWaalsContact O-N 3.08Å; N104-S107 PolarHBondContact O-OG 2.86Å; N104-S107 PolarHBondContact OD1-N 2.85Å; P105-S107 VanDerWaalsContact C-N 3.33Å; P105-S107 PolarHBondContact O-N 2.78Å; S107-V111 WeakPolarHBondContact O-CG2 3.41Å
108	Y	98.8	Very high	98.4	Very high	31 Å²	31	35.3 Å²	35.3	12%	0.122	18%	0.18	C	C	.	.	H	α-helix	trans	-73.5	-38.5	173.8	165.6	-83.7	0	0	0	112.3	F100 P105 A106 V111 L155 H159 L163	F100-Y108 HydrophobicContact CD2-CD2 4.2Å; F100-Y108 HydrophobicContact CE1-CD2 4.31Å; F100-Y108 AromaticContact CE2-CD2 3.87Å; F100-Y108 HydrophobicContact CE2-CD2 3.87Å; F100-Y108 AromaticContact CZ-CD2 3.91Å; F100-Y108 HydrophobicContact CZ-CD2 3.91Å; P105-Y108 WeakPolarHBondContact O-CB 3.16Å; P105-Y108 PolarHBondContact O-N 2.72Å; P105-Y108 VanDerWaalsContact O-N 3.14Å; A106-Y108 PolarHBondContact O-N 3.45Å; A106-Y108 VanDerWaalsContact O-N 3.15Å; Y108-V111 WeakPolarHBondContact O-CB 3.48Å; Y108-V111 PolarHBondContact O-N 3Å; Y108-L155 HydrophobicContact CD1-CD2 4.43Å; Y108-L155 HydrophobicContact CD2-CD1 3.79Å; Y108-L155 HydrophobicContact CD2-CD2 4.4Å; Y108-L155 HydrophobicContact CG-CD1 3.68Å; Y108-L155 HydrophobicContact CG-CD2 4.22Å; Y108-H159 HydrophobicContact CE2-CB 3.99Å; Y108-H159 PolarHBondContact OH-O 3.43Å; Y108-L163 HydrophobicContact CD2-CD2 3.43Å; Y108-L163 VanDerWaalsContact CD2-CD2 3.43Å; Y108-L163 HydrophobicContact CE1-CD2 4.48Å; Y108-L163 HydrophobicContact CE2-CB 3.58Å; Y108-L163 HydrophobicContact CE2-CD2 3.33Å; Y108-L163 HydrophobicContact CE2-CG 4.01Å; Y108-L163 HydrophobicContact CG-CD2 4.08Å
109	H	98.5	Very high	98.4	Very high	102 Å²	102	35.4 Å²	35.4	47%	0.472	18%	0.181	S	C	.	.	H	α-helix	trans	-67.8	-43.5	175.9	-71	-67.4	0	0	0	111.3	P105 A106 V111 Q112 E113	P105-H109 PolarHBondContact O-CD2 3.19Å; P105-H109 PolarHBondContact O-N 2.82Å; A106-H109 PolarHBondContact O-N 3.16Å; H109-V111 PolarHBondContact O-N 3.45Å; H109-Q112 PolarHBondContact O-N 3.04Å; H109-E113 PolarHBondContact O-N 2.84Å
110	N	98.6	Very high	98.3	Very high	44 Å²	44	40 Å²	40	24%	0.235	20%	0.201	C	C	.	.	H	α-helix	trans	-58.7	-23.1	177.7	-68.6	-11.4	0	0	0	113.3	D29 A106 Q112 E113 E114 W115	D29-N110 WeakPolarHBondContact OD1-CB 3.45Å; D29-N110 PolarHBondContact OD1-ND2 3.05Å; D29-N110 PolarHBondContact OD2-ND2 3.39Å; A106-N110 PolarHBondContact O-N 2.74Å; N110-Q112 VanDerWaalsContact C-N 3.3Å; N110-Q112 PolarHBondContact O-N 2.98Å; N110-E113 PolarHBondContact O-N 3.48Å; N110-E114 HydrophobicContact CB-CG 4.43Å; N110-E114 WeakPolarHBondContact O-CA 3.47Å; N110-E114 WeakPolarHBondContact O-CB 3.39Å; N110-E114 PolarHBondContact O-N 2.98Å; N110-W115 VanDerWaalsContact O-CD1 3.26Å; N110-W115 PolarHBondContact O-N 3.28Å
111	V	98.8	Very high	98.2	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	24%	0.236	C	C	.	.	I	π-helix	trans	-55.4	-46.8	171.8	171.3	0	0	0	0	111.4	I98 F100 S107 Y108 H109 V116 L130 L163 I167	I98-V111 HydrophobicContact CG2-CG1 4.03Å; I98-V111 HydrophobicContact CG2-CG2 4.05Å; F100-V111 HydrophobicContact CB-CG2 4.04Å; F100-V111 HydrophobicContact CD1-CG2 4.25Å; F100-V111 HydrophobicContact CG-CG2 4.49Å; S107-V111 WeakPolarHBondContact O-CG2 3.41Å; Y108-V111 WeakPolarHBondContact O-CB 3.48Å; Y108-V111 PolarHBondContact O-N 3Å; H109-V111 PolarHBondContact O-N 3.45Å; V111-V116 HydrophobicContact CG1-CG2 4.04Å; V111-V116 VanDerWaalsContact O-CB 3.28Å; V111-V116 WeakPolarHBondContact O-CB 3.37Å; V111-V116 WeakPolarHBondContact O-CG2 3.5Å; V111-V116 PolarHBondContact O-N 3.17Å; V111-L130 HydrophobicContact CG1-CD1 3.85Å; V111-L130 HydrophobicContact CG2-CD1 4.15Å; V111-L163 HydrophobicContact CB-CD2 3.93Å; V111-L163 HydrophobicContact CG1-CD1 4.48Å; V111-L163 HydrophobicContact CG1-CD2 3.92Å; V111-L163 HydrophobicContact CG1-CG 4.33Å; V111-L163 HydrophobicContact CG2-CD2 4.24Å; V111-I167 HydrophobicContact CG1-CD1 3.76Å
112	Q	98.3	Very high	98	Very high	115 Å²	115	49.2 Å²	49.2	54%	0.537	25%	0.254	S	S	.	.	I	π-helix	trans	-84.1	-31.2	-176.6	-174	173.3	-28	0	0	112.2	H109 N110 P117 L163 I167	H109-Q112 PolarHBondContact O-N 3.04Å; N110-Q112 VanDerWaalsContact C-N 3.3Å; N110-Q112 PolarHBondContact O-N 2.98Å; Q112-P117 WeakPolarHBondContact O-CD 3.5Å; Q112-L163 HydrophobicContact CB-CD1 4.35Å; Q112-I167 HydrophobicContact CB-CG2 4.38Å; Q112-I167 HydrophobicContact CG-CG2 4.44Å
113	E	97.7	Very high	97.9	Very high	122 Å²	122	51.2 Å²	51.2	57%	0.57	26%	0.264	S	S	*	.	I	π-helix	trans	-85.3	-33	-173.7	-66.1	175.5	-173.3	0	0	112.8	H109 N110	H109-E113 PolarHBondContact O-N 2.84Å; N110-E113 PolarHBondContact O-N 3.48Å
114	E	97	Very high	97.8	Very high	109 Å²	109	54.5 Å²	54.5	51%	0.509	29%	0.285	S	S	.	.	I	π-helix	trans	-122.9	-59.9	-172.1	-58.7	-62	149.9	0	0	112	N110 P117 E118	N110-E114 HydrophobicContact CB-CG 4.43Å; N110-E114 WeakPolarHBondContact O-CA 3.47Å; N110-E114 WeakPolarHBondContact O-CB 3.39Å; N110-E114 PolarHBondContact O-N 2.98Å; E114-P117 WeakPolarHBondContact O-CD 3.34Å; E114-E118 WeakPolarHBondContact O-CB 3.34Å; E114-E118 PolarHBondContact O-N 3.47Å
115	W	98.4	Very high	97.6	Very high	11 Å²	11	60.5 Å²	60.5	4%	0.042	31%	0.311	C	S	.	.	I	π-helix	trans	-69.6	-43.4	-167.4	-60.4	110.1	0	0	0	113.7	V27 G28 D29 R86 I98 N110 L119	V27-W115 HydrophobicContact CB-CE3 3.91Å; V27-W115 HydrophobicContact CB-CZ3 4.17Å; V27-W115 HydrophobicContact CG2-CE3 4.24Å; G28-W115 WeakPolarHBondContact O-CH2 3.29Å; G28-W115 VanDerWaalsContact O-CZ2 3.27Å; G28-W115 WeakPolarHBondContact O-CZ2 3.42Å; D29-W115 PolarHBondContact OD1-NE1 3.16Å; R86-W115 VanDerWaalsContact CZ-CH2 3.47Å; R86-W115 VanDerWaalsContact CZ-CZ3 3.43Å; I98-W115 HydrophobicContact CG2-CB 3.95Å; I98-W115 HydrophobicContact CG2-CG 4.43Å; N110-W115 VanDerWaalsContact O-CD1 3.26Å; N110-W115 PolarHBondContact O-N 3.28Å; W115-L119 WeakPolarHBondContact O-CG 3.32Å; W115-L119 PolarHBondContact O-N 3.44Å; W115-L119 VanDerWaalsContact O-N 3.1Å
116	V	98.4	Very high	97.5	Very high	4 Å²	4	60.7 Å²	60.7	2%	0.024	31%	0.312	C	S	.	.	H	α-helix	trans	-68.6	-44.1	178.9	167.9	0	0	0	0	112.1	I98 V111 K120 I167	I98-V116 HydrophobicContact CD1-CG2 3.83Å; V111-V116 HydrophobicContact CG1-CG2 4.04Å; V111-V116 VanDerWaalsContact O-CB 3.28Å; V111-V116 WeakPolarHBondContact O-CB 3.37Å; V111-V116 WeakPolarHBondContact O-CG2 3.5Å; V111-V116 PolarHBondContact O-N 3.17Å; V116-K120 HydrophobicContact CG1-CD 3.93Å; V116-K120 HydrophobicContact CG1-CG 4.47Å; V116-K120 WeakPolarHBondContact O-CB 3.4Å; V116-K120 VanDerWaalsContact O-CG 3.3Å; V116-K120 WeakPolarHBondContact O-CG 3.32Å; V116-K120 PolarHBondContact O-N 3.24Å; V116-I167 HydrophobicContact CG1-CB 4.4Å; V116-I167 HydrophobicContact CG2-CB 3.88Å; V116-I167 HydrophobicContact CG2-CD1 3.87Å; V116-I167 HydrophobicContact CG2-CG1 4.37Å; V116-I167 HydrophobicContact CG2-CG2 4.01Å
117	P	98.2	Very high	97.5	Very high	49 Å²	49	59.5 Å²	59.5	32%	0.318	30%	0.3	S	S	.	.	H	α-helix	trans	-54.6	-51.2	170	-30.3	38.1	0	0	0	113	Q112 E114 L119 K120 D121	Q112-P117 WeakPolarHBondContact O-CD 3.5Å; E114-P117 WeakPolarHBondContact O-CD 3.34Å; P117-L119 PolarHBondContact O-N 3.39Å; P117-K120 PolarHBondContact O-N 3.02Å; P117-D121 PolarHBondContact O-N 3.31Å
118	E	97.8	Very high	97.5	Very high	35 Å²	35	59.9 Å²	59.9	16%	0.164	30%	0.302	C	S	.	.	H	α-helix	trans	-56.7	-47.7	-178.9	-171.4	-174.6	102.7	0	0	112.2	R86 Y90 E114 K120 D121 C122	R86-E118 IonicContact NH1-OE1 3.48Å; R86-E118 PolarHBondContact NH1-OE1 2.92Å; R86-E118 IonicContact NH1-OE2 2.79Å; R86-E118 PolarHBondContact NH1-OE2 2.95Å; Y90-E118 HydrophobicContact CE2-CG 4.35Å; Y90-E118 WeakPolarHBondContact CE2-OE1 3.32Å; Y90-E118 PolarHBondContact OH-OE1 3.23Å; E114-E118 WeakPolarHBondContact O-CB 3.34Å; E114-E118 PolarHBondContact O-N 3.47Å; E118-K120 VanDerWaalsContact C-N 3.33Å; E118-K120 PolarHBondContact O-N 2.92Å; E118-D121 PolarHBondContact O-N 3.2Å; E118-C122 WeakPolarHBondContact O-CB 3.12Å; E118-C122 PolarHBondContact O-N 2.9Å; E118-C122 PolarHBondContact O-SG 2.88Å
119	L	97.9	Very high	97.5	Very high	2 Å²	2	58.4 Å²	58.4	1%	0.01	30%	0.296	C	S	.	.	H	α-helix	trans	-66.4	-33.5	178.4	-67.7	-172.7	0	0	0	112.9	V27 Y90 F96 I98 W115 P117 M123 Y128	V27-L119 HydrophobicContact CG1-CD2 4.44Å; V27-L119 HydrophobicContact CG2-CD1 4.02Å; V27-L119 HydrophobicContact CG2-CD2 4.48Å; V27-L119 HydrophobicContact CG2-CG 4.46Å; Y90-L119 HydrophobicContact CD2-CD2 4.44Å; Y90-L119 HydrophobicContact CE1-CD2 4.45Å; Y90-L119 HydrophobicContact CE2-CD2 3.92Å; F96-L119 HydrophobicContact CB-CD1 3.9Å; F96-L119 HydrophobicContact CD1-CD1 4.18Å; F96-L119 HydrophobicContact CD1-CD2 3.7Å; F96-L119 HydrophobicContact CD2-CD1 4.2Å; F96-L119 HydrophobicContact CD2-CD2 4.22Å; F96-L119 HydrophobicContact CE1-CD2 3.57Å; F96-L119 HydrophobicContact CE2-CD2 4.1Å; F96-L119 HydrophobicContact CG-CD1 3.86Å; F96-L119 HydrophobicContact CG-CD2 4.04Å; F96-L119 HydrophobicContact CZ-CD2 3.79Å; I98-L119 HydrophobicContact CD1-CD1 3.77Å; I98-L119 HydrophobicContact CG1-CD1 3.8Å; W115-L119 WeakPolarHBondContact O-CG 3.32Å; W115-L119 PolarHBondContact O-N 3.44Å; W115-L119 VanDerWaalsContact O-N 3.1Å; P117-L119 PolarHBondContact O-N 3.39Å; L119-M123 CarbonylContact O-C 3.37Å; L119-M123 WeakPolarHBondContact O-CA 3.46Å; L119-M123 PolarHBondContact O-N 3.05Å; L119-Y128 HydrophobicContact CD1-CD1 4.47Å
120	K	96.6	Very high	97.5	Very high	97 Å²	97	53.6 Å²	53.6	42%	0.422	27%	0.273	S	S	.	.	H	α-helix	trans	-71.8	-34.5	177.1	-78.9	175.9	179.6	169	0	112.2	V116 P117 E118 P124 Y128	V116-K120 HydrophobicContact CG1-CD 3.93Å; V116-K120 HydrophobicContact CG1-CG 4.47Å; V116-K120 WeakPolarHBondContact O-CB 3.4Å; V116-K120 VanDerWaalsContact O-CG 3.3Å; V116-K120 WeakPolarHBondContact O-CG 3.32Å; V116-K120 PolarHBondContact O-N 3.24Å; P117-K120 PolarHBondContact O-N 3.02Å; E118-K120 VanDerWaalsContact C-N 3.33Å; E118-K120 PolarHBondContact O-N 2.92Å; K120-P124 WeakPolarHBondContact O-CB 3.28Å; K120-P124 WeakPolarHBondContact O-CD 3.35Å; K120-Y128 WeakPolarHBondContact CE-OH 3.49Å
121	D	96.8	Very high	97.5	Very high	139 Å²	139	51.5 Å²	51.5	74%	0.743	26%	0.262	S	S	*	.	H	α-helix	trans	-73.4	-40.2	178.2	-70.8	-10.3	0	0	0	111.1	P117 E118	P117-D121 PolarHBondContact O-N 3.31Å; E118-D121 PolarHBondContact O-N 3.2Å
122	C	95.9	Very high	97.5	Very high	55 Å²	55	51.5 Å²	51.5	37%	0.372	26%	0.262	S	S	.	.	H	α-helix	trans	-85.6	-43.5	-177.8	-66.4	0	0	0	0	113.7	Y90 E118	Y90-C122 HydrophobicContact CD2-CB 3.7Å; Y90-C122 HydrophobicContact CE2-CB 4.28Å; E118-C122 WeakPolarHBondContact O-CB 3.12Å; E118-C122 PolarHBondContact O-N 2.9Å; E118-C122 PolarHBondContact O-SG 2.88Å
123	M	96.8	Very high	97.6	Very high	42 Å²	42	46.2 Å²	46.2	21%	0.207	24%	0.238	C	C	.	.			trans	-139.2	61.9	-169.3	-63	-59.1	-68.2	0	0	112.5	Y90 F96 L119 H125 V126	Y90-M123 HydrophobicContact CG-CG 4.48Å; F96-M123 HydrophobicContact CE2-CB 3.79Å; F96-M123 HydrophobicContact CE2-CG 4.04Å; F96-M123 HydrophobicContact CZ-CB 4.19Å; F96-M123 HydrophobicContact CZ-CG 3.96Å; L119-M123 CarbonylContact O-C 3.37Å; L119-M123 WeakPolarHBondContact O-CA 3.46Å; L119-M123 PolarHBondContact O-N 3.05Å; M123-H125 PolarHBondContact O-N 2.76Å; M123-V126 HydrophobicContact CB-CB 4.24Å; M123-V126 HydrophobicContact CB-CG2 3.85Å; M123-V126 HydrophobicContact CE-CG2 3.58Å; M123-V126 PolarHBondContact O-N 2.68Å; M123-V126 VanDerWaalsContact O-N 3.12Å
124	P	95.1	Very high	97.6	Very high	73 Å²	73	42.6 Å²	42.6	47%	0.474	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60	-22.5	-169.1	21.6	-34	0	0	0	115.6	K120	K120-P124 WeakPolarHBondContact O-CB 3.28Å; K120-P124 WeakPolarHBondContact O-CD 3.35Å
125	H	94.3	Very high	97.7	Very high	181 Å²	181	38.2 Å²	38.2	84%	0.838	20%	0.201	S	C	*	.	T	Hydrogen-bonded Turn	trans	-94.9	-12.6	-175.8	-59.8	-48.4	0	0	0	114.1	M123	M123-H125 PolarHBondContact O-N 2.76Å
126	V	97.6	Very high	97.7	Very high	17 Å²	17	40.1 Å²	40.1	10%	0.103	21%	0.212	C	C	.	.	S	Bend	trans	-82.6	130.3	-174.7	-175.6	0	0	0	0	109.5	T93 F96 M123	T93-V126 HydrophobicContact CG2-CG1 4.04Å; T93-V126 WeakPolarHBondContact O-CG1 3.46Å; T93-V126 WeakPolarHBondContact O-CG2 3.49Å; F96-V126 HydrophobicContact CD2-CB 3.93Å; F96-V126 HydrophobicContact CD2-CG1 3.47Å; F96-V126 VanDerWaalsContact CD2-CG1 3.47Å; F96-V126 HydrophobicContact CE2-CB 3.77Å; F96-V126 HydrophobicContact CE2-CG1 3.6Å; F96-V126 HydrophobicContact CE2-CG2 4.27Å; M123-V126 HydrophobicContact CB-CB 4.24Å; M123-V126 HydrophobicContact CB-CG2 3.85Å; M123-V126 HydrophobicContact CE-CG2 3.58Å; M123-V126 PolarHBondContact O-N 2.68Å; M123-V126 VanDerWaalsContact O-N 3.12Å
127	P	97.9	Very high	97.7	Very high	22 Å²	22	42.4 Å²	42.4	14%	0.143	22%	0.224	C	C	.	.			trans	-71.8	154.7	176.7	31.7	-36.4	0	0	0	111.5	D94 F96 Q170 T193	D94-P127 WeakPolarHBondContact O-CD 3.31Å; F96-P127 PolarHBondContact N-O 2.95Å; P127-Q170 HydrophobicContact CB-CG 3.95Å; P127-T193 HydrophobicContact CB-CG2 3.54Å; P127-T193 HydrophobicContact CG-CG2 3.53Å
128	Y	98.5	Very high	97.7	Very high	8 Å²	8	42.4 Å²	42.4	3%	0.031	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	149.7	174	43.9	-98.5	0	0	0	112.6	F96 I98 L119 K120 I167 A169 Q170	F96-Y128 CarbonylContact O-C 3.39Å; F96-Y128 WeakPolarHBondContact O-CA 3.4Å; I98-Y128 HydrophobicContact CD1-CD1 4.44Å; I98-Y128 HydrophobicContact CD1-CD2 3.7Å; I98-Y128 HydrophobicContact CD1-CE2 4.26Å; I98-Y128 HydrophobicContact CD1-CG 3.8Å; I98-Y128 HydrophobicContact CG1-CG 4.48Å; L119-Y128 HydrophobicContact CD1-CD1 4.47Å; K120-Y128 WeakPolarHBondContact CE-OH 3.49Å; Y128-I167 HydrophobicContact CE2-CD1 4.24Å; Y128-I167 HydrophobicContact CE2-CG1 4.13Å; Y128-I167 PolarHBondContact OH-O 3Å; Y128-A169 HydrophobicContact CD2-CB 3.77Å; Y128-A169 HydrophobicContact CE2-CB 3.95Å; Y128-Q170 PolarHBondContact O-N 3.06Å
129	V	98.7	Very high	97.6	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	136.8	172.7	-173	0	0	0	0	108.6	V95 F96 L97 I98 I131 Q170 C171	V95-V129 HydrophobicContact CG2-CG2 4.45Å; F96-V129 PolarHBondContact O-N 3.21Å; L97-V129 HydrophobicContact CD2-CB 3.88Å; L97-V129 HydrophobicContact CD2-CG2 4.39Å; I98-V129 PolarHBondContact N-O 3.3Å; V129-I131 HydrophobicContact CB-CD1 4.28Å; V129-I131 HydrophobicContact CG1-CD1 3.65Å; V129-Q170 HydrophobicContact CG2-CB 4.32Å; V129-C171 VanDerWaalsContact CG1-SG 3.56Å
130	L	98.9	Very high	97.6	Very high	0 Å²	0	49.1 Å²	49.1	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	128.6	176.8	-177.7	67.9	0	0	0	110.1	I98 F100 V111 L163 A164 I167 A169 C171 Y172 L173	I98-L130 HydrophobicContact CB-CD1 4.33Å; I98-L130 HydrophobicContact CG2-CD1 4.4Å; F100-L130 HydrophobicContact CD1-CD1 3.86Å; F100-L130 HydrophobicContact CD1-CG 4.3Å; F100-L130 HydrophobicContact CE1-CD1 4Å; F100-L130 HydrophobicContact CE1-CD2 4.07Å; F100-L130 HydrophobicContact CE1-CG 3.94Å; V111-L130 HydrophobicContact CG1-CD1 3.85Å; V111-L130 HydrophobicContact CG2-CD1 4.15Å; L130-L163 HydrophobicContact CD1-CD2 4.36Å; L130-L163 HydrophobicContact CD2-CB 3.88Å; L130-L163 HydrophobicContact CD2-CD2 3.83Å; L130-L163 HydrophobicContact CD2-CG 3.76Å; L130-A164 HydrophobicContact CB-CB 4.19Å; L130-A164 HydrophobicContact CD2-CB 3.87Å; L130-I167 HydrophobicContact CB-CD1 4.45Å; L130-I167 HydrophobicContact CD1-CD1 4.17Å; L130-I167 HydrophobicContact CD2-CD1 4.34Å; L130-A169 HydrophobicContact CB-CB 4.15Å; L130-C171 PolarHBondContact N-O 3.31Å; L130-C171 VanDerWaalsContact N-O 3.13Å; L130-Y172 HydrophobicContact CB-CD2 4.17Å; L130-Y172 HydrophobicContact CD2-CD2 3.82Å; L130-Y172 HydrophobicContact CD2-CE2 4.36Å; L130-Y172 HydrophobicContact CG-CD2 3.84Å; L130-Y172 HydrophobicContact CG-CE2 4.31Å; L130-Y172 WeakPolarHBondContact O-CA 3.22Å; L130-Y172 WeakPolarHBondContact O-CD2 3.41Å; L130-L173 PolarHBondContact O-N 2.88Å
131	I	98.9	Very high	97.7	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	120.3	-174.8	-48.1	-59.3	0	0	0	110.6	L97 I98 C99 F100 V129 T133 L173 V186	L97-I131 HydrophobicContact CB-CG1 4.18Å; L97-I131 HydrophobicContact CD2-CD1 4.18Å; L97-I131 HydrophobicContact CD2-CG1 4.13Å; I98-I131 PolarHBondContact O-N 3.39Å; C99-I131 WeakPolarHBondContact CA-O 3.46Å; F100-I131 WeakPolarHBondContact CD1-O 3.35Å; F100-I131 PolarHBondContact N-O 3.46Å; V129-I131 HydrophobicContact CB-CD1 4.28Å; V129-I131 HydrophobicContact CG1-CD1 3.65Å; I131-T133 HydrophobicContact CG2-CG2 4.01Å; I131-L173 CarbonylContact C-O 3.57Å; I131-L173 WeakPolarHBondContact CA-O 3.05Å; I131-L173 HydrophobicContact CD1-CB 4.12Å; I131-V186 HydrophobicContact CD1-CB 4.34Å; I131-V186 HydrophobicContact CD1-CG1 3.64Å; I131-V186 HydrophobicContact CD1-CG2 3.98Å; I131-V186 HydrophobicContact CG1-CG1 4.15Å; I131-V186 HydrophobicContact CG2-CG2 4.17Å
132	G	98.9	Very high	97.8	Very high	0 Å²	0	51.2 Å²	51.2	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	111.3	166.8	0	0	0	0	0	110.4	F100 L173 E174 C175	F100-G132 WeakPolarHBondContact O-CA 3.46Å; G132-L173 PolarHBondContact N-O 3.25Å; G132-E174 CarbonylContact O-C 3.55Å; G132-E174 VanDerWaalsContact O-CA 3.26Å; G132-E174 WeakPolarHBondContact O-CA 3.34Å; G132-C175 PolarHBondContact O-N 3.29Å
133	T	98.8	Very high	97.8	Very high	5 Å²	5	49.3 Å²	49.3	3%	0.031	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	169.8	-178	62.3	0	0	0	0	111.8	V32 C99 F100 S101 V102 I131 I135 C175	V32-T133 VanDerWaalsContact O-CB 3.29Å; V32-T133 WeakPolarHBondContact O-CB 3.47Å; V32-T133 PolarHBondContact O-OG1 2.83Å; C99-T133 HydrophobicContact CB-CG2 4.14Å; F100-T133 PolarHBondContact O-N 3.11Å; F100-T133 PolarHBondContact O-OG1 3.01Å; S101-T133 WeakPolarHBondContact CA-OG1 3.43Å; V102-T133 PolarHBondContact N-O 3.4Å; I131-T133 HydrophobicContact CG2-CG2 4.01Å; T133-I135 VanDerWaalsContact C-N 3.34Å; T133-I135 PolarHBondContact O-N 2.96Å; T133-C175 CarbonylContact C-O 3.59Å; T133-C175 WeakPolarHBondContact CA-O 3.35Å
134	Q	98.5	Very high	97.9	Very high	45 Å²	45	50.6 Å²	50.6	21%	0.21	26%	0.261	C	S	.	.			trans	62.2	36.3	172.9	-55	174.3	-1.4	0	0	113.7	A31 V32 S101 V103 D136 L137 C175	A31-Q134 PolarHBondContact O-NE2 2.84Å; V32-Q134 VanDerWaalsContact C-NE2 3.33Å; V32-Q134 PolarHBondContact O-NE2 2.85Å; S101-Q134 VanDerWaalsContact CB-OE1 3.31Å; S101-Q134 PolarHBondContact OG-OE1 2.91Å; V103-Q134 HydrophobicContact CG2-CB 4.47Å; Q134-D136 PolarHBondContact O-N 2.82Å; Q134-L137 HydrophobicContact CB-CD1 4.06Å; Q134-L137 HydrophobicContact CB-CG 4.35Å; Q134-L137 WeakPolarHBondContact O-CB 3.47Å; Q134-L137 PolarHBondContact O-N 3.42Å; Q134-C175 PolarHBondContact N-O 3.46Å; Q134-C175 VanDerWaalsContact N-O 3.11Å
135	I	98.7	Very high	98	Very high	18 Å²	18	50 Å²	50	9%	0.092	26%	0.262	C	S	.	.	G	3₁₀ helix	trans	-66	-19.2	-178.7	67	178.3	0	0	0	114.4	V102 T133 L137 R138 E174 C175 K181	V102-I135 HydrophobicContact CG1-CG2 4.06Å; V102-I135 HydrophobicContact CG2-CB 4.49Å; V102-I135 HydrophobicContact CG2-CG2 4.11Å; T133-I135 VanDerWaalsContact C-N 3.34Å; T133-I135 PolarHBondContact O-N 2.96Å; I135-L137 PolarHBondContact O-N 2.9Å; I135-R138 WeakPolarHBondContact O-CB 3.35Å; I135-R138 PolarHBondContact O-N 2.88Å; I135-E174 HydrophobicContact CD1-CB 4.38Å; I135-E174 HydrophobicContact CG2-CB 3.77Å; I135-E174 HydrophobicContact CG2-CG 3.94Å; I135-C175 PolarHBondContact N-O 3.15Å; I135-K181 HydrophobicContact CD1-CB 4.5Å; I135-K181 HydrophobicContact CD1-CD 3.91Å; I135-K181 HydrophobicContact CD1-CG 4.14Å
136	D	98.3	Very high	98.2	Very high	51 Å²	51	47.2 Å²	47.2	27%	0.273	24%	0.244	S	C	.	.	G	3₁₀ helix	trans	-62.9	-26.5	171.1	52.3	-73.9	0	0	0	112.5	Q134 S176 T179	Q134-D136 PolarHBondContact O-N 2.82Å; D136-S176 WeakPolarHBondContact CB-OG 3.49Å; D136-S176 WeakPolarHBondContact OD1-CB 3.37Å; D136-S176 PolarHBondContact OD1-OG 3.14Å; D136-T179 HydrophobicContact CB-CG2 4.16Å
137	L	98.4	Very high	98.2	Very high	51 Å²	51	46.4 Å²	46.4	27%	0.267	24%	0.24	S	C	.	.	G	3₁₀ helix	trans	-84.9	-8.3	179.4	-58.3	-176.8	0	0	0	113.5	V103 Q134 I135 D139 D140 T143	V103-L137 HydrophobicContact CB-CB 4.4Å; V103-L137 HydrophobicContact CG1-CB 3.76Å; V103-L137 HydrophobicContact CG2-CB 3.86Å; V103-L137 HydrophobicContact CG2-CD1 3.84Å; V103-L137 HydrophobicContact CG2-CG 4.5Å; Q134-L137 HydrophobicContact CB-CD1 4.06Å; Q134-L137 HydrophobicContact CB-CG 4.35Å; Q134-L137 WeakPolarHBondContact O-CB 3.47Å; Q134-L137 PolarHBondContact O-N 3.42Å; I135-L137 PolarHBondContact O-N 2.9Å; L137-D139 PolarHBondContact O-N 2.9Å; L137-D140 HydrophobicContact CD2-CB 4.33Å; L137-D140 PolarHBondContact O-N 3.46Å; L137-T143 HydrophobicContact CB-CG2 4.27Å
138	R	98.2	Very high	98.2	Very high	49 Å²	49	51.6 Å²	51.6	19%	0.185	27%	0.265	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.3	-37.6	-176	179.8	176.5	-73.9	146.7	-3.7	112.3	V102 I135 L144 P154 L155 E174	V102-R138 HydrophobicContact CG2-CB 4.38Å; I135-R138 WeakPolarHBondContact O-CB 3.35Å; I135-R138 PolarHBondContact O-N 2.88Å; R138-L144 WeakPolarHBondContact O-CD2 3.37Å; R138-P154 HydrophobicContact CG-CB 4.02Å; R138-P154 WeakPolarHBondContact O-CG 3.48Å; R138-L155 PolarHBondContact NE-O 3.33Å; R138-L155 VanDerWaalsContact NE-O 3.07Å; R138-L155 PolarHBondContact NH2-O 3.05Å; R138-E174 IonicContact CZ-OE1 2.79Å; R138-E174 IonicContact CZ-OE2 3.56Å; R138-E174 IonicContact NH1-OE1 3.2Å; R138-E174 IonicContact NH1-OE2 3.59Å; R138-E174 PolarHBondContact NH1-OE2 3.08Å; R138-E174 IonicContact NH2-OE1 3.42Å; R138-E174 PolarHBondContact NH2-OE1 2.58Å; R138-E174 IonicContact NH2-OE2 2.68Å; R138-E174 PolarHBondContact NH2-OE2 3.02Å
139	D	96.8	Very high	98.1	Very high	130 Å²	130	60.6 Å²	60.6	70%	0.695	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-109.4	8.4	-178.9	-56.7	-50.8	0	0	0	112.4	L137 P141	L137-D139 PolarHBondContact O-N 2.9Å; D139-P141 WeakPolarHBondContact O-CD 3.49Å
140	D	98	Very high	98.1	Very high	49 Å²	49	66 Å²	66	26%	0.262	33%	0.327	S	S	.	.			trans	-69.9	122.7	179.5	167.9	57.5	0	0	0	110.9	L137 K142 T143 L144	L137-D140 HydrophobicContact CD2-CB 4.33Å; L137-D140 PolarHBondContact O-N 3.46Å; D140-K142 VanDerWaalsContact C-N 3.29Å; D140-K142 PolarHBondContact O-N 2.99Å; D140-K142 WeakPolarHBondContact OD2-CB 3.28Å; D140-K142 PolarHBondContact OD2-N 3.42Å; D140-T143 PolarHBondContact O-N 2.65Å; D140-T143 VanDerWaalsContact O-N 3.15Å; D140-T143 VanDerWaalsContact OD2-CB 3.27Å; D140-T143 WeakPolarHBondContact OD2-CB 3.43Å; D140-T143 PolarHBondContact OD2-N 3.4Å; D140-T143 PolarHBondContact OD2-OG1 3.22Å; D140-L144 WeakPolarHBondContact O-CB 3.3Å; D140-L144 WeakPolarHBondContact O-CG 3.41Å; D140-L144 PolarHBondContact O-N 3.48Å
141	P	98.1	Very high	98	Very high	100 Å²	100	75.3 Å²	75.3	65%	0.649	37%	0.368	S	S	*	.	H	α-helix	trans	-57.3	-37.3	-175.9	-27.9	35.4	0	0	0	114.3	D139 A145	D139-P141 WeakPolarHBondContact O-CD 3.49Å; P141-A145 WeakPolarHBondContact O-CB 3.16Å; P141-A145 PolarHBondContact O-N 3.26Å
142	K	97.9	Very high	97.9	Very high	179 Å²	179	78.6 Å²	78.6	78%	0.778	38%	0.383	S	S	*	.	H	α-helix	trans	-69.4	-43.7	179.9	-68.1	179.6	179.6	176	0	110.7	D140 A145 R146	D140-K142 VanDerWaalsContact C-N 3.29Å; D140-K142 PolarHBondContact O-N 2.99Å; D140-K142 WeakPolarHBondContact OD2-CB 3.28Å; D140-K142 PolarHBondContact OD2-N 3.42Å; K142-A145 PolarHBondContact O-N 3.05Å; K142-R146 PolarHBondContact O-N 3.23Å
143	T	97.8	Very high	97.9	Very high	15 Å²	15	86.7 Å²	86.7	9%	0.092	42%	0.418	C	S	.	.	H	α-helix	trans	-64.4	-44.1	177.5	-60.4	0	0	0	0	111.5	V103 L137 D140 A145 R146 L147	V103-T143 HydrophobicContact CB-CG2 3.61Å; V103-T143 HydrophobicContact CG1-CG2 3.66Å; V103-T143 HydrophobicContact CG2-CG2 4.07Å; L137-T143 HydrophobicContact CB-CG2 4.27Å; D140-T143 PolarHBondContact O-N 2.65Å; D140-T143 VanDerWaalsContact O-N 3.15Å; D140-T143 VanDerWaalsContact OD2-CB 3.27Å; D140-T143 WeakPolarHBondContact OD2-CB 3.43Å; D140-T143 PolarHBondContact OD2-N 3.4Å; D140-T143 PolarHBondContact OD2-OG1 3.22Å; T143-A145 PolarHBondContact O-N 2.94Å; T143-R146 PolarHBondContact O-N 3.14Å; T143-L147 HydrophobicContact CG2-CD1 4.05Å; T143-L147 WeakPolarHBondContact O-CG 3.24Å; T143-L147 PolarHBondContact O-N 3.36Å
144	L	98.1	Very high	97.8	Very high	70 Å²	70	87.6 Å²	87.6	37%	0.366	42%	0.424	S	S	.	.	H	α-helix	trans	-60.2	-44.8	174.8	-72.8	173.8	0	0	0	112	R138 D140 L147 L148 P154	R138-L144 WeakPolarHBondContact O-CD2 3.37Å; D140-L144 WeakPolarHBondContact O-CB 3.3Å; D140-L144 WeakPolarHBondContact O-CG 3.41Å; D140-L144 PolarHBondContact O-N 3.48Å; L144-L147 PolarHBondContact O-N 3.07Å; L144-L148 VanDerWaalsContact O-CB 3.32Å; L144-L148 WeakPolarHBondContact O-CB 3.36Å; L144-L148 PolarHBondContact O-N 3.27Å; L144-P154 HydrophobicContact CD2-CG 3.53Å
145	A	98	Very high	97.9	Very high	59 Å²	59	86.1 Å²	86.1	49%	0.488	42%	0.418	S	S	.	.	H	α-helix	trans	-62.2	-42.9	177	0	0	0	0	0	112.2	P141 K142 T143 L148 Y149	P141-A145 WeakPolarHBondContact O-CB 3.16Å; P141-A145 PolarHBondContact O-N 3.26Å; K142-A145 PolarHBondContact O-N 3.05Å; T143-A145 PolarHBondContact O-N 2.94Å; A145-L148 PolarHBondContact O-N 3.27Å; A145-Y149 PolarHBondContact O-N 3.06Å
146	R	97.8	Very high	97.8	Very high	124 Å²	124	88 Å²	88	47%	0.468	43%	0.43	S	S	.	.	H	α-helix	trans	-61.5	-47.9	175.9	-178	-173.1	65.3	79.4	0.3	111.8	V103 K142 T143 L148 Y149 M150	V103-R146 PolarHBondContact O-NH2 3.24Å; K142-R146 PolarHBondContact O-N 3.23Å; T143-R146 PolarHBondContact O-N 3.14Å; R146-L148 VanDerWaalsContact C-N 3.35Å; R146-Y149 WeakPolarHBondContact O-CB 3.49Å; R146-Y149 PolarHBondContact O-N 3.5Å; R146-M150 WeakPolarHBondContact O-CG 3.45Å; R146-M150 PolarHBondContact O-N 3.49Å
147	L	97.8	Very high	97.9	Very high	0 Å²	0	91.1 Å²	91.1	0%	0	44%	0.439	C	S	.	.	H	α-helix	trans	-63.8	-42.2	179.1	-74.4	170	0	0	0	111.2	V103 T143 L144 Y149 M150 K151 E152 P154	V103-L147 HydrophobicContact CB-CD1 4.17Å; V103-L147 HydrophobicContact CG1-CD1 4.46Å; T143-L147 HydrophobicContact CG2-CD1 4.05Å; T143-L147 WeakPolarHBondContact O-CG 3.24Å; T143-L147 PolarHBondContact O-N 3.36Å; L144-L147 PolarHBondContact O-N 3.07Å; L147-Y149 VanDerWaalsContact C-N 3.32Å; L147-Y149 PolarHBondContact O-N 2.93Å; L147-M150 CarbonylContact O-C 3.5Å; L147-M150 WeakPolarHBondContact O-CA 3.41Å; L147-M150 PolarHBondContact O-N 3.15Å; L147-K151 PolarHBondContact O-N 3.08Å; L147-K151 VanDerWaalsContact O-N 3.08Å; L147-E152 CarbonylContact C-O 3.58Å; L147-E152 HydrophobicContact CB-CB 4.39Å; L147-E152 HydrophobicContact CD2-CB 3.94Å; L147-E152 PolarHBondContact O-N 2.93Å; L147-P154 HydrophobicContact CD1-CB 4.4Å; L147-P154 HydrophobicContact CD1-CG 3.69Å
148	L	97.2	Very high	97.9	Very high	130 Å²	130	96 Å²	96	68%	0.681	46%	0.46	S	S	*	.	H	α-helix	trans	-60.8	-40.6	176.7	-177.2	63.5	0	0	0	112.2	L144 A145 R146 M150 K151	L144-L148 VanDerWaalsContact O-CB 3.32Å; L144-L148 WeakPolarHBondContact O-CB 3.36Å; L144-L148 PolarHBondContact O-N 3.27Å; A145-L148 PolarHBondContact O-N 3.27Å; R146-L148 VanDerWaalsContact C-N 3.35Å; L148-M150 VanDerWaalsContact C-N 3.26Å; L148-M150 PolarHBondContact O-N 2.78Å; L148-K151 WeakPolarHBondContact O-CA 3.33Å; L148-K151 PolarHBondContact O-N 3.21Å
149	Y	97.3	Very high	97.9	Very high	198 Å²	198	97.3 Å²	97.3	78%	0.776	47%	0.468	S	S	*	.	H	α-helix	trans	-58.5	-39.4	173.8	176.5	-96.7	0	0	0	112	A145 R146 L147 K151	A145-Y149 PolarHBondContact O-N 3.06Å; R146-Y149 WeakPolarHBondContact O-CB 3.49Å; R146-Y149 PolarHBondContact O-N 3.5Å; L147-Y149 VanDerWaalsContact C-N 3.32Å; L147-Y149 PolarHBondContact O-N 2.93Å; Y149-K151 PolarHBondContact O-N 3.05Å
150	M	96.9	Very high	98	Very high	113 Å²	113	91.1 Å²	91.1	56%	0.557	44%	0.435	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.6	1.9	174.5	-61.5	-62.1	-68.1	0	0	113.7	R146 L147 L148 E152	R146-M150 WeakPolarHBondContact O-CG 3.45Å; R146-M150 PolarHBondContact O-N 3.49Å; L147-M150 CarbonylContact O-C 3.5Å; L147-M150 WeakPolarHBondContact O-CA 3.41Å; L147-M150 PolarHBondContact O-N 3.15Å; L148-M150 VanDerWaalsContact C-N 3.26Å; L148-M150 PolarHBondContact O-N 2.78Å; M150-E152 HydrophobicContact CB-CG 4.35Å; M150-E152 PolarHBondContact O-N 2.93Å
151	K	97.8	Very high	98	Very high	195 Å²	195	92.1 Å²	92.1	85%	0.848	44%	0.443	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.1	28.6	-173.3	-54	178.6	-178.6	175.9	0	114	L147 L148 Y149	L147-K151 PolarHBondContact O-N 3.08Å; L147-K151 VanDerWaalsContact O-N 3.08Å; L148-K151 WeakPolarHBondContact O-CA 3.33Å; L148-K151 PolarHBondContact O-N 3.21Å; Y149-K151 PolarHBondContact O-N 3.05Å
152	E	97.6	Very high	98	Very high	70 Å²	70	94.5 Å²	94.5	33%	0.327	44%	0.443	S	S	.	.			trans	-109.8	170.9	177.8	-68.5	-171.4	159.9	0	0	111.7	P105 L147 M150	P105-E152 WeakPolarHBondContact CD-OE2 3.47Å; P105-E152 HydrophobicContact CG-CB 4.22Å; P105-E152 HydrophobicContact CG-CG 4.42Å; P105-E152 WeakPolarHBondContact CG-OE2 3.34Å; L147-E152 CarbonylContact C-O 3.58Å; L147-E152 HydrophobicContact CB-CB 4.39Å; L147-E152 HydrophobicContact CD2-CB 3.94Å; L147-E152 PolarHBondContact O-N 2.93Å; M150-E152 HydrophobicContact CB-CG 4.35Å; M150-E152 PolarHBondContact O-N 2.93Å
153	K	97.6	Very high	98.1	Very high	170 Å²	170	86.2 Å²	86.2	74%	0.739	41%	0.407	S	S	*	.			trans	-137	153.6	173.9	-65.7	-177.1	-178.9	179.5	0	109.9
154	P	98.3	Very high	98.1	Very high	24 Å²	24	85.7 Å²	85.7	16%	0.156	41%	0.405	C	S	.	.	P	Polyproline II helix	trans	-57	149	169.5	-21.3	31.1	0	0	0	111.7	V102 V103 R138 L144 L147	V102-P154 CarbonylContact O-C 3.39Å; V102-P154 WeakPolarHBondContact O-CA 3.35Å; V103-P154 HydrophobicContact CG1-CB 4.32Å; R138-P154 HydrophobicContact CG-CB 4.02Å; R138-P154 WeakPolarHBondContact O-CG 3.48Å; L144-P154 HydrophobicContact CD2-CG 3.53Å; L147-P154 HydrophobicContact CD1-CB 4.4Å; L147-P154 HydrophobicContact CD1-CG 3.69Å
155	L	98.6	Very high	98.1	Very high	13 Å²	13	91.1 Å²	91.1	7%	0.068	43%	0.425	C	S	.	.	P	Polyproline II helix	trans	-77.5	133.5	175.8	-62.4	165.9	0	0	0	110.1	F100 V102 Y108 R138 H159	F100-L155 HydrophobicContact CD2-CD1 3.75Å; F100-L155 HydrophobicContact CE2-CB 4.48Å; F100-L155 HydrophobicContact CE2-CD1 3.49Å; F100-L155 VanDerWaalsContact CE2-CD1 3.49Å; V102-L155 HydrophobicContact CB-CB 4.4Å; V102-L155 PolarHBondContact O-N 3.05Å; Y108-L155 HydrophobicContact CD1-CD2 4.43Å; Y108-L155 HydrophobicContact CD2-CD1 3.79Å; Y108-L155 HydrophobicContact CD2-CD2 4.4Å; Y108-L155 HydrophobicContact CG-CD1 3.68Å; Y108-L155 HydrophobicContact CG-CD2 4.22Å; R138-L155 PolarHBondContact NE-O 3.33Å; R138-L155 VanDerWaalsContact NE-O 3.07Å; R138-L155 PolarHBondContact NH2-O 3.05Å; L155-H159 HydrophobicContact CD2-CB 4.31Å
156	T	98.6	Very high	98.1	Very high	58 Å²	58	91.7 Å²	91.7	36%	0.356	43%	0.43	S	S	.	.	P	Polyproline II helix	trans	-81.9	163.3	173.9	65.9	0	0	0	0	110.9	E158 H159	T156-E158 PolarHBondContact O-N 2.63Å; T156-H159 PolarHBondContact N-ND1 3.23Å; T156-H159 WeakPolarHBondContact O-CB 3.43Å; T156-H159 PolarHBondContact O-N 3.33Å; T156-H159 VanDerWaalsContact O-N 3.15Å; T156-H159 PolarHBondContact OG1-N 3.02Å; T156-H159 PolarHBondContact OG1-ND1 3.02Å
157	Y	98.6	Very high	98.1	Very high	117 Å²	117	86.3 Å²	86.3	46%	0.459	41%	0.41	S	S	.	.	H	α-helix	trans	-55.9	-36.8	173.8	-172.6	-96.3	0	0	0	112.3	H159 G160 V161 Y172 E174	Y157-H159 VanDerWaalsContact C-N 3.33Å; Y157-H159 PolarHBondContact O-N 2.55Å; Y157-G160 PolarHBondContact O-N 3.47Å; Y157-G160 VanDerWaalsContact O-N 3.16Å; Y157-V161 HydrophobicContact CD1-CG2 3.7Å; Y157-V161 HydrophobicContact CE1-CG2 3.32Å; Y157-V161 WeakPolarHBondContact O-CG2 3.47Å; Y157-V161 PolarHBondContact O-N 3.01Å; Y157-Y172 HydrophobicContact CD2-CD1 4.05Å; Y157-Y172 AromaticContact CD2-CE1 3.62Å; Y157-Y172 HydrophobicContact CD2-CE1 3.62Å; Y157-Y172 AromaticContact CE2-CD1 3.71Å; Y157-Y172 HydrophobicContact CE2-CD1 3.71Å; Y157-Y172 AromaticContact CE2-CE1 3.73Å; Y157-Y172 HydrophobicContact CE2-CE1 3.73Å; Y157-Y172 HydrophobicContact CG-CE1 4.18Å; Y157-Y172 AromaticContact CZ-CD1 3.98Å; Y157-Y172 WeakPolarHBondContact O-CE1 3.35Å; Y157-E174 WeakPolarHBondContact CA-OE1 3.44Å; Y157-E174 HydrophobicContact CD2-CG 4.02Å; Y157-E174 HydrophobicContact CE2-CG 4.37Å
158	E	98.6	Very high	98.1	Very high	152 Å²	152	87.8 Å²	87.8	71%	0.71	43%	0.426	S	S	*	.	H	α-helix	trans	-62.7	-36.4	179.6	-65.1	166.5	177.3	0	0	112.7	T156 V161 K162	T156-E158 PolarHBondContact O-N 2.63Å; E158-V161 PolarHBondContact O-N 3.09Å; E158-K162 WeakPolarHBondContact O-CB 3.28Å; E158-K162 PolarHBondContact O-N 3.1Å
159	H	98.6	Very high	98.1	Very high	78 Å²	78	82.5 Å²	82.5	36%	0.361	40%	0.401	S	S	.	.	H	α-helix	trans	-60.6	-46.8	173.6	-66.2	149	0	0	0	111	Y108 L155 T156 Y157 K162 L163	Y108-H159 HydrophobicContact CE2-CB 3.99Å; Y108-H159 PolarHBondContact OH-O 3.43Å; L155-H159 HydrophobicContact CD2-CB 4.31Å; T156-H159 PolarHBondContact N-ND1 3.23Å; T156-H159 WeakPolarHBondContact O-CB 3.43Å; T156-H159 PolarHBondContact O-N 3.33Å; T156-H159 VanDerWaalsContact O-N 3.15Å; T156-H159 PolarHBondContact OG1-N 3.02Å; T156-H159 PolarHBondContact OG1-ND1 3.02Å; Y157-H159 VanDerWaalsContact C-N 3.33Å; Y157-H159 PolarHBondContact O-N 2.55Å; H159-K162 PolarHBondContact O-N 2.95Å; H159-L163 WeakPolarHBondContact O-CB 3.03Å; H159-L163 PolarHBondContact O-N 2.76Å
160	G	98.7	Very high	98.1	Very high	0 Å²	0	73.9 Å²	73.9	0%	0	37%	0.368	C	S	.	.	H	α-helix	trans	-64.9	-41.1	179.1	0	0	0	0	0	113.4	Y157 K162 L163 A164 Y172	Y157-G160 PolarHBondContact O-N 3.47Å; Y157-G160 VanDerWaalsContact O-N 3.16Å; G160-K162 VanDerWaalsContact C-N 3.33Å; G160-K162 PolarHBondContact O-N 3.29Å; G160-L163 PolarHBondContact O-N 2.48Å; G160-A164 WeakPolarHBondContact O-CB 2.87Å; G160-A164 PolarHBondContact O-N 3Å; G160-Y172 VanDerWaalsContact C-CG 3.46Å
161	V	98.7	Very high	98.2	Very high	69 Å²	69	69.8 Å²	69.8	42%	0.418	35%	0.35	S	S	.	.	H	α-helix	trans	-60.2	-44.6	173.6	173.9	0	0	0	0	111.1	Y157 E158 K165 Y172	Y157-V161 HydrophobicContact CD1-CG2 3.7Å; Y157-V161 HydrophobicContact CE1-CG2 3.32Å; Y157-V161 WeakPolarHBondContact O-CG2 3.47Å; Y157-V161 PolarHBondContact O-N 3.01Å; E158-V161 PolarHBondContact O-N 3.09Å; V161-K165 PolarHBondContact O-N 3.44Å; V161-Y172 HydrophobicContact CG2-CD1 3.92Å
162	K	98.6	Very high	98.2	Very high	151 Å²	151	61 Å²	61	66%	0.657	31%	0.311	S	S	*	.	H	α-helix	trans	-61.8	-45.7	177.7	-175.9	-179.1	177	-175.9	0	111.1	E158 H159 G160 K165 A166	E158-K162 WeakPolarHBondContact O-CB 3.28Å; E158-K162 PolarHBondContact O-N 3.1Å; H159-K162 PolarHBondContact O-N 2.95Å; G160-K162 VanDerWaalsContact C-N 3.33Å; G160-K162 PolarHBondContact O-N 3.29Å; K162-K165 PolarHBondContact O-N 2.84Å; K162-A166 PolarHBondContact O-N 3.49Å
163	L	98.6	Very high	98.3	Very high	4 Å²	4	59.5 Å²	59.5	2%	0.021	31%	0.305	C	S	.	.	H	α-helix	trans	-63.6	-48.6	178.8	-178.4	59.3	0	0	0	111.7	Y108 V111 Q112 L130 H159 G160 K165 A166 I167	Y108-L163 HydrophobicContact CD2-CD2 3.43Å; Y108-L163 VanDerWaalsContact CD2-CD2 3.43Å; Y108-L163 HydrophobicContact CE1-CD2 4.48Å; Y108-L163 HydrophobicContact CE2-CB 3.58Å; Y108-L163 HydrophobicContact CE2-CD2 3.33Å; Y108-L163 HydrophobicContact CE2-CG 4.01Å; Y108-L163 HydrophobicContact CG-CD2 4.08Å; V111-L163 HydrophobicContact CB-CD2 3.93Å; V111-L163 HydrophobicContact CG1-CD1 4.48Å; V111-L163 HydrophobicContact CG1-CD2 3.92Å; V111-L163 HydrophobicContact CG1-CG 4.33Å; V111-L163 HydrophobicContact CG2-CD2 4.24Å; Q112-L163 HydrophobicContact CB-CD1 4.35Å; L130-L163 HydrophobicContact CD1-CD2 4.36Å; L130-L163 HydrophobicContact CD2-CB 3.88Å; L130-L163 HydrophobicContact CD2-CD2 3.83Å; L130-L163 HydrophobicContact CD2-CG 3.76Å; H159-L163 WeakPolarHBondContact O-CB 3.03Å; H159-L163 PolarHBondContact O-N 2.76Å; G160-L163 PolarHBondContact O-N 2.48Å; L163-K165 PolarHBondContact O-N 2.8Å; L163-A166 WeakPolarHBondContact O-CB 3.43Å; L163-A166 PolarHBondContact O-N 3.46Å; L163-I167 HydrophobicContact CD1-CG2 3.74Å; L163-I167 HydrophobicContact CG-CG2 4.38Å; L163-I167 WeakPolarHBondContact O-CG1 3.32Å; L163-I167 PolarHBondContact O-N 3.17Å
164	A	98.6	Very high	98.3	Very high	5 Å²	5	52.7 Å²	52.7	4%	0.041	28%	0.276	C	S	.	.	H	α-helix	trans	-55	-41.9	178.5	0	0	0	0	0	112.1	L130 G160 G168 A169	L130-A164 HydrophobicContact CB-CB 4.19Å; L130-A164 HydrophobicContact CD2-CB 3.87Å; G160-A164 WeakPolarHBondContact O-CB 2.87Å; G160-A164 PolarHBondContact O-N 3Å; A164-G168 PolarHBondContact O-N 3.48Å; A164-A169 HydrophobicContact CB-CB 4.09Å; A164-A169 PolarHBondContact O-N 2.68Å
165	K	98.1	Very high	98.4	Very high	184 Å²	184	51.6 Å²	51.6	80%	0.8	27%	0.269	S	S	*	.	H	α-helix	trans	-65.3	-43	174.7	-176.1	177.4	177.8	-177.8	0	112.2	V161 K162 L163 G168	V161-K165 PolarHBondContact O-N 3.44Å; K162-K165 PolarHBondContact O-N 2.84Å; L163-K165 PolarHBondContact O-N 2.8Å; K165-G168 PolarHBondContact O-N 2.84Å
166	A	97.9	Very high	98.3	Very high	71 Å²	71	51 Å²	51	59%	0.587	27%	0.266	S	S	*	.	H	α-helix	trans	-64.7	-41.9	-179	0	0	0	0	0	112.4	K162 L163	K162-A166 PolarHBondContact O-N 3.49Å; L163-A166 WeakPolarHBondContact O-CB 3.43Å; L163-A166 PolarHBondContact O-N 3.46Å
167	I	97.6	Very high	98.3	Very high	10 Å²	10	48.8 Å²	48.8	5%	0.051	25%	0.253	C	S	.	.	H	α-helix	trans	-82.8	-16.7	-178.7	69.3	-180	0	0	0	113	V111 Q112 V116 Y128 L130 L163 A169	V111-I167 HydrophobicContact CG1-CD1 3.76Å; Q112-I167 HydrophobicContact CB-CG2 4.38Å; Q112-I167 HydrophobicContact CG-CG2 4.44Å; V116-I167 HydrophobicContact CG1-CB 4.4Å; V116-I167 HydrophobicContact CG2-CB 3.88Å; V116-I167 HydrophobicContact CG2-CD1 3.87Å; V116-I167 HydrophobicContact CG2-CG1 4.37Å; V116-I167 HydrophobicContact CG2-CG2 4.01Å; Y128-I167 HydrophobicContact CE2-CD1 4.24Å; Y128-I167 HydrophobicContact CE2-CG1 4.13Å; Y128-I167 PolarHBondContact OH-O 3Å; L130-I167 HydrophobicContact CB-CD1 4.45Å; L130-I167 HydrophobicContact CD1-CD1 4.17Å; L130-I167 HydrophobicContact CD2-CD1 4.34Å; L163-I167 HydrophobicContact CD1-CG2 3.74Å; L163-I167 HydrophobicContact CG-CG2 4.38Å; L163-I167 WeakPolarHBondContact O-CG1 3.32Å; L163-I167 PolarHBondContact O-N 3.17Å; I167-A169 HydrophobicContact CD1-CB 4.06Å; I167-A169 HydrophobicContact CG1-CB 3.95Å
168	G	97.2	Very high	98.1	Very high	32 Å²	32	47.9 Å²	47.9	33%	0.33	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	79.6	33.8	-177.5	0	0	0	0	0	113.4	A164 K165	A164-G168 PolarHBondContact O-N 3.48Å; K165-G168 PolarHBondContact O-N 2.84Å
169	A	98.1	Very high	98	Very high	18 Å²	18	44.5 Å²	44.5	15%	0.149	25%	0.246	C	C	.	.			trans	-69	158.5	171.1	0	0	0	0	0	111.1	Y128 L130 A164 I167 C171	Y128-A169 HydrophobicContact CD2-CB 3.77Å; Y128-A169 HydrophobicContact CE2-CB 3.95Å; L130-A169 HydrophobicContact CB-CB 4.15Å; A164-A169 HydrophobicContact CB-CB 4.09Å; A164-A169 PolarHBondContact O-N 2.68Å; I167-A169 HydrophobicContact CD1-CB 4.06Å; I167-A169 HydrophobicContact CG1-CB 3.95Å; A169-C171 VanDerWaalsContact C-N 3.33Å; A169-C171 PolarHBondContact O-N 3.09Å
170	Q	97.6	Very high	97.8	Very high	18 Å²	18	44.3 Å²	44.3	8%	0.084	25%	0.245	C	C	.	.	S	Bend	trans	-64.9	-39.2	178.9	-66.7	-66	-27.3	0	0	112	P127 Y128 V129 T193 K198	P127-Q170 HydrophobicContact CB-CG 3.95Å; Y128-Q170 PolarHBondContact O-N 3.06Å; V129-Q170 HydrophobicContact CG2-CB 4.32Å; Q170-T193 HydrophobicContact CB-CG2 4.46Å; Q170-T193 HydrophobicContact CG-CG2 3.71Å; Q170-K198 PolarHBondContact NE2-O 3.02Å; Q170-K198 WeakPolarHBondContact O-CD 3.45Å; Q170-K198 PolarHBondContact O-NZ 3.39Å; Q170-K198 VanDerWaalsContact OE1-CG 3.26Å
171	C	97.9	Very high	97.8	Very high	27 Å²	27	51.1 Å²	51.1	18%	0.182	28%	0.275	C	S	.	.			trans	-166	-178.7	171.7	59.7	0	0	0	0	110.3	V129 L130 A169 E189	V129-C171 VanDerWaalsContact CG1-SG 3.56Å; L130-C171 PolarHBondContact N-O 3.31Å; L130-C171 VanDerWaalsContact N-O 3.13Å; A169-C171 VanDerWaalsContact C-N 3.33Å; A169-C171 PolarHBondContact O-N 3.09Å; C171-E189 WeakPolarHBondContact SG-CG 3.27Å
172	Y	98.8	Very high	97.8	Very high	10 Å²	10	49.2 Å²	49.2	4%	0.039	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	133.3	169.4	177.2	-121.2	0	0	0	109.7	F100 L130 Y157 G160 V161 E174	F100-Y172 HydrophobicContact CE1-CD2 4.49Å; F100-Y172 AromaticContact CE1-CE2 3.65Å; F100-Y172 HydrophobicContact CE1-CE2 3.65Å; F100-Y172 AromaticContact CZ-CE2 3.73Å; F100-Y172 HydrophobicContact CZ-CE2 3.73Å; F100-Y172 AromaticContact CZ-CZ 3.99Å; F100-Y172 WeakPolarHBondContact CZ-OH 3.34Å; L130-Y172 HydrophobicContact CB-CD2 4.17Å; L130-Y172 HydrophobicContact CD2-CD2 3.82Å; L130-Y172 HydrophobicContact CD2-CE2 4.36Å; L130-Y172 HydrophobicContact CG-CD2 3.84Å; L130-Y172 HydrophobicContact CG-CE2 4.31Å; L130-Y172 WeakPolarHBondContact O-CA 3.22Å; L130-Y172 WeakPolarHBondContact O-CD2 3.41Å; Y157-Y172 HydrophobicContact CD2-CD1 4.05Å; Y157-Y172 AromaticContact CD2-CE1 3.62Å; Y157-Y172 HydrophobicContact CD2-CE1 3.62Å; Y157-Y172 AromaticContact CE2-CD1 3.71Å; Y157-Y172 HydrophobicContact CE2-CD1 3.71Å; Y157-Y172 AromaticContact CE2-CE1 3.73Å; Y157-Y172 HydrophobicContact CE2-CE1 3.73Å; Y157-Y172 HydrophobicContact CG-CE1 4.18Å; Y157-Y172 AromaticContact CZ-CD1 3.98Å; Y157-Y172 WeakPolarHBondContact O-CE1 3.35Å; G160-Y172 VanDerWaalsContact C-CG 3.46Å; V161-Y172 HydrophobicContact CG2-CD1 3.92Å; Y172-E174 HydrophobicContact CE1-CG 3.71Å; Y172-E174 HydrophobicContact CE2-CG 4.42Å; Y172-E174 WeakPolarHBondContact OH-CG 3.23Å; Y172-E174 PolarHBondContact OH-OE1 2.69Å
173	L	98.8	Very high	97.6	Very high	38 Å²	38	42.4 Å²	42.4	20%	0.199	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	155.8	172.2	-67.7	173.6	0	0	0	110.4	L130 I131 G132 A185 V186 E189	L130-L173 PolarHBondContact O-N 2.88Å; I131-L173 CarbonylContact C-O 3.57Å; I131-L173 WeakPolarHBondContact CA-O 3.05Å; I131-L173 HydrophobicContact CD1-CB 4.12Å; G132-L173 PolarHBondContact N-O 3.25Å; L173-A185 WeakPolarHBondContact CD1-O 3.26Å; L173-V186 HydrophobicContact CB-CG2 4.12Å; L173-V186 HydrophobicContact CD1-CG2 4.38Å; L173-E189 HydrophobicContact CD1-CB 3.59Å; L173-E189 HydrophobicContact CD1-CG 3.93Å
174	E	98.8	Very high	97.4	Very high	28 Å²	28	48.5 Å²	48.5	13%	0.131	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	143	177.1	-85.2	-172.2	-172.2	0	0	110.4	G132 I135 R138 Y157 Y172	G132-E174 CarbonylContact O-C 3.55Å; G132-E174 VanDerWaalsContact O-CA 3.26Å; G132-E174 WeakPolarHBondContact O-CA 3.34Å; I135-E174 HydrophobicContact CD1-CB 4.38Å; I135-E174 HydrophobicContact CG2-CB 3.77Å; I135-E174 HydrophobicContact CG2-CG 3.94Å; R138-E174 IonicContact CZ-OE1 2.79Å; R138-E174 IonicContact CZ-OE2 3.56Å; R138-E174 IonicContact NH1-OE1 3.2Å; R138-E174 IonicContact NH1-OE2 3.59Å; R138-E174 PolarHBondContact NH1-OE2 3.08Å; R138-E174 IonicContact NH2-OE1 3.42Å; R138-E174 PolarHBondContact NH2-OE1 2.58Å; R138-E174 IonicContact NH2-OE2 2.68Å; R138-E174 PolarHBondContact NH2-OE2 3.02Å; Y157-E174 WeakPolarHBondContact CA-OE1 3.44Å; Y157-E174 HydrophobicContact CD2-CG 4.02Å; Y157-E174 HydrophobicContact CE2-CG 4.37Å; Y172-E174 HydrophobicContact CE1-CG 3.71Å; Y172-E174 HydrophobicContact CE2-CG 4.42Å; Y172-E174 WeakPolarHBondContact OH-CG 3.23Å; Y172-E174 PolarHBondContact OH-OE1 2.69Å
175	C	98.7	Very high	97.4	Very high	1 Å²	1	50.5 Å²	50.5	1%	0.007	28%	0.282	C	S	.	.			trans	-150.1	158.7	175.6	64.9	0	0	0	0	113.6	L37 G132 T133 Q134 I135 K181 V186	L37-C175 WeakPolarHBondContact CD1-SG 3.48Å; G132-C175 PolarHBondContact O-N 3.29Å; T133-C175 CarbonylContact C-O 3.59Å; T133-C175 WeakPolarHBondContact CA-O 3.35Å; Q134-C175 PolarHBondContact N-O 3.46Å; Q134-C175 VanDerWaalsContact N-O 3.11Å; I135-C175 PolarHBondContact N-O 3.15Å; C175-K181 CarbonylContact C-O 3.54Å; C175-K181 WeakPolarHBondContact CA-O 3.38Å; C175-K181 WeakPolarHBondContact CB-O 3.46Å; C175-V186 HydrophobicContact CB-CG2 4.04Å
176	S	98.4	Very high	97.4	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	24%	0.244	C	C	.	.			trans	-118.9	118.5	165.7	167.3	0	0	0	0	107.1	D136 L178 T179 Q180 K181	D136-S176 WeakPolarHBondContact CB-OG 3.49Å; D136-S176 WeakPolarHBondContact OD1-CB 3.37Å; D136-S176 PolarHBondContact OD1-OG 3.14Å; S176-L178 VanDerWaalsContact C-N 3.28Å; S176-L178 PolarHBondContact OG-N 3.45Å; S176-T179 WeakPolarHBondContact CB-OG1 3.33Å; S176-T179 PolarHBondContact OG-N 3Å; S176-T179 PolarHBondContact OG-OG1 2.98Å; S176-Q180 CarbonylContact O-C 3.17Å; S176-Q180 WeakPolarHBondContact O-CA 3.43Å; S176-Q180 PolarHBondContact O-N 3.06Å; S176-K181 PolarHBondContact N-O 3.21Å; S176-K181 PolarHBondContact O-N 3.23Å
177	A	96.8	Very high	97.3	Very high	11 Å²	11	38.3 Å²	38.3	9%	0.091	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.2	-36.3	171.9	0	0	0	0	0	110.6	C36 S40 F46 Q180	C36-A177 HydrophobicContact CB-CB 3.86Å; S40-A177 PolarHBondContact OG-O 3.42Å; F46-A177 VanDerWaalsContact CD2-C 3.47Å; F46-A177 HydrophobicContact CD2-CB 3.97Å; F46-A177 HydrophobicContact CE2-CB 3.91Å; A177-Q180 PolarHBondContact O-N 3.07Å
178	L	95.2	Very high	97.2	Very high	98 Å²	98	40.7 Å²	40.7	51%	0.513	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.1	-46.3	-178.8	179.2	62.8	0	0	0	112.6	F46 S176	F46-L178 HydrophobicContact CD1-CD1 3.94Å; F46-L178 VanDerWaalsContact CD2-CA 3.44Å; F46-L178 HydrophobicContact CD2-CB 4.2Å; F46-L178 HydrophobicContact CD2-CD1 4.39Å; F46-L178 HydrophobicContact CE1-CD1 4.21Å; F46-L178 HydrophobicContact CE2-CB 4.18Å; F46-L178 HydrophobicContact CG-CD1 4.03Å; S176-L178 VanDerWaalsContact C-N 3.28Å; S176-L178 PolarHBondContact OG-N 3.45Å
179	T	96.1	Very high	97.2	Very high	81 Å²	81	41.5 Å²	41.5	50%	0.497	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.4	-0.6	-178.5	64.5	0	0	0	0	113	D136 S176 K181	D136-T179 HydrophobicContact CB-CG2 4.16Å; S176-T179 WeakPolarHBondContact CB-OG1 3.33Å; S176-T179 PolarHBondContact OG-N 3Å; S176-T179 PolarHBondContact OG-OG1 2.98Å; T179-K181 PolarHBondContact O-N 3.38Å; T179-K181 WeakPolarHBondContact OG1-CB 3.46Å
180	Q	95.6	Very high	97.2	Very high	75 Å²	75	40.6 Å²	40.6	35%	0.35	22%	0.217	S	C	.	.			trans	57.3	4.5	-172.2	-57.8	172.7	-5.8	0	0	115.3	D44 S176 A177 G182 L183	D44-Q180 PolarHBondContact O-NE2 3.48Å; S176-Q180 CarbonylContact O-C 3.17Å; S176-Q180 WeakPolarHBondContact O-CA 3.43Å; S176-Q180 PolarHBondContact O-N 3.06Å; A177-Q180 PolarHBondContact O-N 3.07Å; Q180-G182 PolarHBondContact O-N 3.15Å; Q180-L183 HydrophobicContact CB-CD2 4.41Å; Q180-L183 HydrophobicContact CG-CD2 4.34Å; Q180-L183 VanDerWaalsContact O-CB 3.26Å; Q180-L183 WeakPolarHBondContact O-CB 3.38Å; Q180-L183 PolarHBondContact O-N 2.86Å; Q180-L183 VanDerWaalsContact O-N 3.14Å
181	K	98.1	Very high	97.1	Very high	142 Å²	142	40.1 Å²	40.1	62%	0.617	22%	0.215	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59	125.6	177.7	-177.6	177.4	176.3	-177.7	0	109.9	I135 C175 S176 T179 L183	I135-K181 HydrophobicContact CD1-CB 4.5Å; I135-K181 HydrophobicContact CD1-CD 3.91Å; I135-K181 HydrophobicContact CD1-CG 4.14Å; C175-K181 CarbonylContact C-O 3.54Å; C175-K181 WeakPolarHBondContact CA-O 3.38Å; C175-K181 WeakPolarHBondContact CB-O 3.46Å; S176-K181 PolarHBondContact N-O 3.21Å; S176-K181 PolarHBondContact O-N 3.23Å; T179-K181 PolarHBondContact O-N 3.38Å; T179-K181 WeakPolarHBondContact OG1-CB 3.46Å; K181-L183 PolarHBondContact O-N 3.41Å
182	G	97.8	Very high	96.9	Very high	29 Å²	29	42.8 Å²	42.8	30%	0.299	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	77	-6.4	177.7	0	0	0	0	0	115.1	Q180 K184 A185 V186	Q180-G182 PolarHBondContact O-N 3.15Å; G182-K184 PolarHBondContact O-N 2.68Å; G182-A185 WeakPolarHBondContact O-CB 3.49Å; G182-A185 PolarHBondContact O-N 3.48Å; G182-V186 PolarHBondContact O-N 3.01Å; G182-V186 VanDerWaalsContact O-N 3.16Å
183	L	95.8	Very high	96.8	Very high	8 Å²	8	42.4 Å²	42.4	4%	0.042	23%	0.226	C	C	.	.	H	α-helix	trans	-61.4	-50.9	-172	-169.8	63	0	0	0	112.5	L37 S40 Y41 Q180 K181 A185 V186 F187	L37-L183 HydrophobicContact CD1-CD1 3.34Å; L37-L183 HydrophobicContact CG-CD1 4.14Å; S40-L183 VanDerWaalsContact OG-CD2 3.3Å; S40-L183 WeakPolarHBondContact OG-CD2 3.35Å; Y41-L183 HydrophobicContact CD2-CG 4.48Å; Q180-L183 HydrophobicContact CB-CD2 4.41Å; Q180-L183 HydrophobicContact CG-CD2 4.34Å; Q180-L183 VanDerWaalsContact O-CB 3.26Å; Q180-L183 WeakPolarHBondContact O-CB 3.38Å; Q180-L183 PolarHBondContact O-N 2.86Å; Q180-L183 VanDerWaalsContact O-N 3.14Å; K181-L183 PolarHBondContact O-N 3.41Å; L183-A185 VanDerWaalsContact C-N 3.28Å; L183-A185 PolarHBondContact O-N 3.02Å; L183-V186 WeakPolarHBondContact O-CB 3.35Å; L183-V186 PolarHBondContact O-N 3.24Å; L183-F187 HydrophobicContact CD1-CE2 3.9Å; L183-F187 HydrophobicContact CG-CE2 4.37Å; L183-F187 WeakPolarHBondContact O-CD2 3.33Å; L183-F187 PolarHBondContact O-N 2.8Å
184	K	94.5	Very high	96.7	Very high	132 Å²	132	41.9 Å²	41.9	57%	0.574	22%	0.223	S	C	*	.	H	α-helix	trans	-57.6	-41.1	176.3	-169.1	-170.1	-176.9	-53.1	0	112.2	G182 V186 F187 D188	G182-K184 PolarHBondContact O-N 2.68Å; K184-V186 VanDerWaalsContact C-N 3.3Å; K184-V186 PolarHBondContact O-N 2.79Å; K184-F187 PolarHBondContact O-N 3.04Å; K184-D188 IonicContact NZ-OD1 2.62Å; K184-D188 PolarHBondContact NZ-OD1 2.71Å; K184-D188 IonicContact NZ-OD2 2.76Å; K184-D188 PolarHBondContact NZ-OD2 2.89Å; K184-D188 WeakPolarHBondContact O-CB 3.46Å; K184-D188 VanDerWaalsContact O-CG 3.25Å; K184-D188 PolarHBondContact O-N 2.79Å
185	A	97.4	Very high	96.4	Very high	47 Å²	47	43.8 Å²	43.8	39%	0.388	23%	0.231	S	C	.	.	H	α-helix	trans	-63.5	-35.8	-178.8	0	0	0	0	0	112.3	L173 G182 L183 E189	L173-A185 WeakPolarHBondContact CD1-O 3.26Å; G182-A185 WeakPolarHBondContact O-CB 3.49Å; G182-A185 PolarHBondContact O-N 3.48Å; L183-A185 VanDerWaalsContact C-N 3.28Å; L183-A185 PolarHBondContact O-N 3.02Å; A185-E189 VanDerWaalsContact O-CB 3.31Å; A185-E189 WeakPolarHBondContact O-CB 3.42Å; A185-E189 PolarHBondContact O-N 2.87Å
186	V	98.3	Very high	96.1	Very high	0 Å²	0	50.5 Å²	50.5	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-58.2	-50.3	174.6	169.7	0	0	0	0	111.2	L97 I131 L173 C175 G182 L183 K184 A190	L97-V186 HydrophobicContact CD1-CG1 3.8Å; L97-V186 HydrophobicContact CD2-CG1 4.36Å; I131-V186 HydrophobicContact CD1-CB 4.34Å; I131-V186 HydrophobicContact CD1-CG1 3.64Å; I131-V186 HydrophobicContact CD1-CG2 3.98Å; I131-V186 HydrophobicContact CG1-CG1 4.15Å; I131-V186 HydrophobicContact CG2-CG2 4.17Å; L173-V186 HydrophobicContact CB-CG2 4.12Å; L173-V186 HydrophobicContact CD1-CG2 4.38Å; C175-V186 HydrophobicContact CB-CG2 4.04Å; G182-V186 PolarHBondContact O-N 3.01Å; G182-V186 VanDerWaalsContact O-N 3.16Å; L183-V186 WeakPolarHBondContact O-CB 3.35Å; L183-V186 PolarHBondContact O-N 3.24Å; K184-V186 VanDerWaalsContact C-N 3.3Å; K184-V186 PolarHBondContact O-N 2.79Å; V186-A190 WeakPolarHBondContact O-CB 3.27Å; V186-A190 PolarHBondContact O-N 2.77Å
187	F	96.6	Very high	95.6	Very high	0 Å²	0	53.8 Å²	53.8	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-77.6	-34.3	-176.6	-67.1	-78.7	0	0	0	112.9	L37 L38 Y41 L71 L73 L97 L183 K184 E189 A190 I191	L37-F187 HydrophobicContact CD1-CE2 4.37Å; L37-F187 HydrophobicContact CD2-CZ 4.33Å; L37-F187 HydrophobicContact CG-CE2 4.17Å; L37-F187 HydrophobicContact CG-CZ 4.03Å; L38-F187 HydrophobicContact CD2-CE1 3.9Å; L38-F187 HydrophobicContact CD2-CZ 3.84Å; Y41-F187 HydrophobicContact CD1-CB 4.31Å; Y41-F187 AromaticContact CD1-CD1 3.75Å; Y41-F187 HydrophobicContact CD1-CD1 3.75Å; Y41-F187 AromaticContact CD1-CD2 3.48Å; Y41-F187 HydrophobicContact CD1-CD2 3.48Å; Y41-F187 VanDerWaalsContact CD1-CD2 3.48Å; Y41-F187 AromaticContact CD1-CE1 3.85Å; Y41-F187 HydrophobicContact CD1-CE1 3.85Å; Y41-F187 AromaticContact CD1-CE2 3.6Å; Y41-F187 HydrophobicContact CD1-CE2 3.6Å; Y41-F187 AromaticContact CD1-CG 3.55Å; Y41-F187 HydrophobicContact CD1-CG 3.55Å; Y41-F187 AromaticContact CD1-CZ 3.76Å; Y41-F187 HydrophobicContact CD1-CZ 3.76Å; Y41-F187 HydrophobicContact CD2-CB 4.27Å; Y41-F187 AromaticContact CD2-CD2 3.34Å; Y41-F187 HydrophobicContact CD2-CD2 3.34Å; Y41-F187 AromaticContact CD2-CE2 3.87Å; Y41-F187 HydrophobicContact CD2-CE2 3.87Å; Y41-F187 AromaticContact CD2-CG 3.94Å; Y41-F187 HydrophobicContact CD2-CG 3.94Å; Y41-F187 HydrophobicContact CE1-CB 3.74Å; Y41-F187 AromaticContact CE1-CD1 3.69Å; Y41-F187 HydrophobicContact CE1-CD1 3.69Å; Y41-F187 AromaticContact CE1-CD2 3.82Å; Y41-F187 HydrophobicContact CE1-CD2 3.82Å; Y41-F187 HydrophobicContact CE1-CE1 4.24Å; Y41-F187 HydrophobicContact CE1-CE2 4.36Å; Y41-F187 AromaticContact CE1-CG 3.44Å; Y41-F187 HydrophobicContact CE1-CG 3.44Å; Y41-F187 VanDerWaalsContact CE1-CG 3.44Å; Y41-F187 HydrophobicContact CE2-CB 3.72Å; Y41-F187 AromaticContact CE2-CD2 3.72Å; Y41-F187 HydrophobicContact CE2-CD2 3.72Å; Y41-F187 AromaticContact CE2-CG 3.86Å; Y41-F187 HydrophobicContact CE2-CG 3.86Å; Y41-F187 HydrophobicContact CG-CD1 4.36Å; Y41-F187 AromaticContact CG-CD2 3.22Å; Y41-F187 HydrophobicContact CG-CD2 3.22Å; Y41-F187 HydrophobicContact CG-CE1 4.41Å; Y41-F187 AromaticContact CG-CE2 3.3Å; Y41-F187 HydrophobicContact CG-CE2 3.3Å; Y41-F187 AromaticContact CG-CG 3.79Å; Y41-F187 HydrophobicContact CG-CG 3.79Å; Y41-F187 AromaticContact CG-CZ 3.91Å; Y41-F187 HydrophobicContact CG-CZ 3.91Å; Y41-F187 VanDerWaalsContact CZ-CB 3.43Å; Y41-F187 AromaticContact CZ-CD2 3.95Å; Y41-F187 AromaticContact CZ-CG 3.63Å; L71-F187 HydrophobicContact CD2-CD1 4.28Å; L73-F187 HydrophobicContact CD2-CD1 3.99Å; L73-F187 HydrophobicContact CD2-CE1 3.63Å; L97-F187 HydrophobicContact CD1-CE1 4.13Å; L183-F187 HydrophobicContact CD1-CE2 3.9Å; L183-F187 HydrophobicContact CG-CE2 4.37Å; L183-F187 WeakPolarHBondContact O-CD2 3.33Å; L183-F187 PolarHBondContact O-N 2.8Å; K184-F187 PolarHBondContact O-N 3.04Å; F187-E189 VanDerWaalsContact C-N 3.31Å; F187-E189 PolarHBondContact O-N 2.85Å; F187-A190 PolarHBondContact O-N 2.98Å; F187-I191 WeakPolarHBondContact O-CB 3.22Å; F187-I191 VanDerWaalsContact O-CD1 3.3Å; F187-I191 WeakPolarHBondContact O-CD1 3.32Å; F187-I191 WeakPolarHBondContact O-CG1 3.41Å; F187-I191 PolarHBondContact O-N 3.39Å
188	D	95.2	Very high	95	Very high	60 Å²	60	58.9 Å²	58.9	32%	0.321	30%	0.303	S	S	.	.	H	α-helix	trans	-56.6	-47.5	170.5	-73.5	-15	0	0	0	110.5	K184 I191 L192	K184-D188 IonicContact NZ-OD1 2.62Å; K184-D188 PolarHBondContact NZ-OD1 2.71Å; K184-D188 IonicContact NZ-OD2 2.76Å; K184-D188 PolarHBondContact NZ-OD2 2.89Å; K184-D188 WeakPolarHBondContact O-CB 3.46Å; K184-D188 VanDerWaalsContact O-CG 3.25Å; K184-D188 PolarHBondContact O-N 2.79Å; D188-I191 PolarHBondContact O-N 3.03Å; D188-L192 WeakPolarHBondContact O-CB 3.29Å; D188-L192 VanDerWaalsContact O-CG 3.25Å; D188-L192 WeakPolarHBondContact O-CG 3.41Å; D188-L192 PolarHBondContact O-N 3.29Å
189	E	97.2	Very high	94.1	Very high	48 Å²	48	63.9 Å²	63.9	22%	0.224	32%	0.321	C	S	.	.	H	α-helix	trans	-70.7	-34.6	-179.5	-172	66	-161.5	0	0	112.6	C171 L173 A185 F187 L192 T193	C171-E189 WeakPolarHBondContact SG-CG 3.27Å; L173-E189 HydrophobicContact CD1-CB 3.59Å; L173-E189 HydrophobicContact CD1-CG 3.93Å; A185-E189 VanDerWaalsContact O-CB 3.31Å; A185-E189 WeakPolarHBondContact O-CB 3.42Å; A185-E189 PolarHBondContact O-N 2.87Å; F187-E189 VanDerWaalsContact C-N 3.31Å; F187-E189 PolarHBondContact O-N 2.85Å; E189-L192 PolarHBondContact O-N 3.49Å; E189-T193 VanDerWaalsContact O-CB 3.24Å; E189-T193 WeakPolarHBondContact O-CB 3.46Å; E189-T193 PolarHBondContact O-N 3.45Å; E189-T193 PolarHBondContact O-OG1 3.41Å
190	A	97.3	Very high	92.7	Very high	0 Å²	0	66 Å²	66	0%	0	32%	0.323	C	S	.	.	H	α-helix	trans	-60.1	-46.9	171.9	0	0	0	0	0	110.8	V95 L97 V186 F187 T193 I194	V95-A190 HydrophobicContact CG1-CB 4.16Å; L97-A190 HydrophobicContact CD2-CB 4.04Å; V186-A190 WeakPolarHBondContact O-CB 3.27Å; V186-A190 PolarHBondContact O-N 2.77Å; F187-A190 PolarHBondContact O-N 2.98Å; A190-T193 WeakPolarHBondContact O-CB 3.5Å; A190-T193 PolarHBondContact O-N 2.91Å; A190-I194 WeakPolarHBondContact O-CG1 3.45Å; A190-I194 PolarHBondContact O-N 3.14Å
191	I	95.8	Very high	90.8	Very high	8 Å²	8	72.2 Å²	72.2	4%	0.041	35%	0.349	C	S	.	.	H	α-helix	trans	-63.3	-47.6	176.8	-66.7	160.7	0	0	0	110.4	V62 V64 L71 F187 D188 T193 I194 F195	V62-I191 HydrophobicContact CB-CD1 4.01Å; V62-I191 HydrophobicContact CG1-CD1 3.85Å; V62-I191 HydrophobicContact CG2-CD1 3.98Å; V64-I191 HydrophobicContact CG2-CG2 3.38Å; L71-I191 HydrophobicContact CD1-CG1 4.49Å; L71-I191 HydrophobicContact CD2-CD1 4.11Å; L71-I191 HydrophobicContact CD2-CG1 4.05Å; F187-I191 WeakPolarHBondContact O-CB 3.22Å; F187-I191 VanDerWaalsContact O-CD1 3.3Å; F187-I191 WeakPolarHBondContact O-CD1 3.32Å; F187-I191 WeakPolarHBondContact O-CG1 3.41Å; F187-I191 PolarHBondContact O-N 3.39Å; D188-I191 PolarHBondContact O-N 3.03Å; I191-T193 PolarHBondContact O-N 2.83Å; I191-I194 WeakPolarHBondContact O-CB 3.07Å; I191-I194 PolarHBondContact O-N 3.17Å; I191-I194 VanDerWaalsContact O-N 3.11Å; I191-F195 HydrophobicContact CG2-CD2 4.06Å; I191-F195 HydrophobicContact CG2-CE2 3.87Å; I191-F195 VanDerWaalsContact O-CD2 3.24Å; I191-F195 WeakPolarHBondContact O-CD2 3.38Å; I191-F195 PolarHBondContact O-N 2.99Å
192	L	94.9	Very high	88.5	Confident	83 Å²	83	75 Å²	75	44%	0.435	36%	0.361	S	S	.	.	H	α-helix	trans	-58.7	-38.9	177.2	-73.3	173.7	0	0	0	111.8	D188 E189 I194 F195 H196	D188-L192 WeakPolarHBondContact O-CB 3.29Å; D188-L192 VanDerWaalsContact O-CG 3.25Å; D188-L192 WeakPolarHBondContact O-CG 3.41Å; D188-L192 PolarHBondContact O-N 3.29Å; E189-L192 PolarHBondContact O-N 3.49Å; L192-I194 VanDerWaalsContact C-N 3.3Å; L192-I194 PolarHBondContact O-N 3.39Å; L192-F195 PolarHBondContact O-N 2.94Å; L192-H196 WeakPolarHBondContact O-CA 3.45Å; L192-H196 PolarHBondContact O-N 3.2Å
193	T	96.4	Very high	86	Confident	2 Å²	2	85.2 Å²	85.2	1%	0.012	39%	0.39	C	S	.	.	H	α-helix	trans	-61	-36.9	176.6	-71.2	0	0	0	0	112.4	V95 P127 Q170 E189 A190 I191 P197	V95-T193 HydrophobicContact CG2-CG2 3.7Å; P127-T193 HydrophobicContact CB-CG2 3.54Å; P127-T193 HydrophobicContact CG-CG2 3.53Å; Q170-T193 HydrophobicContact CB-CG2 4.46Å; Q170-T193 HydrophobicContact CG-CG2 3.71Å; E189-T193 VanDerWaalsContact O-CB 3.24Å; E189-T193 WeakPolarHBondContact O-CB 3.46Å; E189-T193 PolarHBondContact O-N 3.45Å; E189-T193 PolarHBondContact O-OG1 3.41Å; A190-T193 WeakPolarHBondContact O-CB 3.5Å; A190-T193 PolarHBondContact O-N 2.91Å; I191-T193 PolarHBondContact O-N 2.83Å; T193-P197 WeakPolarHBondContact O-CA 3.44Å; T193-P197 WeakPolarHBondContact O-CB 3.49Å; T193-P197 VanDerWaalsContact O-CD 3.3Å; T193-P197 WeakPolarHBondContact O-CD 3.27Å
194	I	95.6	Very high	83.2	Confident	27 Å²	27	90.5 Å²	90.5	14%	0.138	43%	0.427	C	S	.	.	H	α-helix	trans	-64.2	-43.4	177	-63.3	169.1	0	0	0	110.8	L22 D94 V95 A190 I191 L192	L22-I194 HydrophobicContact CB-CD1 4.01Å; L22-I194 HydrophobicContact CD1-CD1 4.27Å; L22-I194 HydrophobicContact CD2-CG2 4.17Å; D94-I194 HydrophobicContact CB-CB 4.42Å; D94-I194 HydrophobicContact CB-CD1 3.78Å; D94-I194 HydrophobicContact CB-CG1 3.74Å; D94-I194 HydrophobicContact CB-CG2 3.86Å; V95-I194 HydrophobicContact CB-CD1 4.29Å; V95-I194 HydrophobicContact CB-CG1 3.77Å; V95-I194 HydrophobicContact CG1-CD1 3.71Å; V95-I194 HydrophobicContact CG1-CG1 3.75Å; A190-I194 WeakPolarHBondContact O-CG1 3.45Å; A190-I194 PolarHBondContact O-N 3.14Å; I191-I194 WeakPolarHBondContact O-CB 3.07Å; I191-I194 PolarHBondContact O-N 3.17Å; I191-I194 VanDerWaalsContact O-N 3.11Å; L192-I194 VanDerWaalsContact C-N 3.3Å; L192-I194 PolarHBondContact O-N 3.39Å
195	F	93.1	Very high	80.9	Confident	68 Å²	68	89.4 Å²	89.4	30%	0.298	44%	0.436	S	S	.	.	H	α-helix	trans	-82.8	-30.1	-177.7	-68.1	-75.8	0	0	0	113.4	L22 V64 H69 I191 L192	L22-F195 HydrophobicContact CD1-CE2 3.86Å; L22-F195 HydrophobicContact CD1-CZ 4.03Å; L22-F195 HydrophobicContact CD2-CZ 4.33Å; V64-F195 HydrophobicContact CB-CE2 4.16Å; V64-F195 HydrophobicContact CG1-CD2 3.97Å; V64-F195 HydrophobicContact CG1-CE2 3.92Å; V64-F195 HydrophobicContact CG2-CE2 4.01Å; H69-F195 AromaticContact CD2-CZ 3.95Å; H69-F195 AromaticContact CE1-CZ 3.82Å; H69-F195 AromaticContact NE2-CZ 3.66Å; I191-F195 HydrophobicContact CG2-CD2 4.06Å; I191-F195 HydrophobicContact CG2-CE2 3.87Å; I191-F195 VanDerWaalsContact O-CD2 3.24Å; I191-F195 WeakPolarHBondContact O-CD2 3.38Å; I191-F195 PolarHBondContact O-N 2.99Å; L192-F195 PolarHBondContact O-N 2.94Å
196	H	92.1	Very high	78.5	Confident	141 Å²	141	95.9 Å²	95.9	65%	0.653	46%	0.458	S	S	*	.	S	Bend	trans	-140.7	63.3	-171.6	-53.4	98.3	0	0	0	112.2	L192 K198	L192-H196 WeakPolarHBondContact O-CA 3.45Å; L192-H196 PolarHBondContact O-N 3.2Å; H196-K198 PolarHBondContact O-N 3.33Å
197	P	87.4	Confident	75.6	Confident	69 Å²	69	99 Å²	99	45%	0.448	49%	0.49	S	S	.	.	P	Polyproline II helix	trans	-65.1	133	179.5	26.5	-33.2	0	0	0	110.6	T193 K199	T193-P197 WeakPolarHBondContact O-CA 3.44Å; T193-P197 WeakPolarHBondContact O-CB 3.49Å; T193-P197 VanDerWaalsContact O-CD 3.3Å; T193-P197 WeakPolarHBondContact O-CD 3.27Å; P197-K199 PolarHBondContact O-N 3.39Å
198	K	85.6	Confident	73.2	Confident	118 Å²	118	108.2 Å²	108.2	51%	0.513	53%	0.533	S	S	.	.	P	Polyproline II helix	trans	-64.3	128.2	173.6	-58	170.9	-173.4	164.1	0	108.4	Q170 H196 K200	Q170-K198 PolarHBondContact NE2-O 3.02Å; Q170-K198 WeakPolarHBondContact O-CD 3.45Å; Q170-K198 PolarHBondContact O-NZ 3.39Å; Q170-K198 VanDerWaalsContact OE1-CG 3.26Å; H196-K198 PolarHBondContact O-N 3.33Å; K198-K200 PolarHBondContact O-N 3.05Å
199	K	76.6	Confident	70.9	Confident	203 Å²	203	110.6 Å²	110.6	88%	0.883	55%	0.554	S	S	*	*	P	Polyproline II helix	trans	-65.1	123.7	177	-65.8	-175.9	-179.2	179.5	0	109.4	P197 K201	P197-K199 PolarHBondContact O-N 3.39Å; K199-K201 PolarHBondContact O-N 3Å
200	K	65.6	Low	68	Low	125 Å²	125	113 Å²	113	54%	0.543	58%	0.575	S	S	.	*	P	Polyproline II helix	trans	-61.8	124.5	169.5	-71.1	-177.7	177.8	174.7	0	108.4	K198 K202	K198-K200 PolarHBondContact O-N 3.05Å; K200-K202 PolarHBondContact O-N 3.31Å; K200-K202 VanDerWaalsContact O-N 3.11Å
201	K	56.5	Low	65.3	Low	207 Å²	207	119.4 Å²	119.4	90%	0.9	62%	0.619	S	S	*	*			trans	-61.8	114.8	169.3	-73.6	-174.3	177.5	-177.7	0	107.2	K199 R203	K199-K201 PolarHBondContact O-N 3Å; K201-R203 PolarHBondContact O-N 3.15Å
202	K	48.3	Very low	62.9	Low	200 Å²	200	123.3 Å²	123.3	87%	0.87	65%	0.646	S	S	*	*			trans	-59.7	121.8	171.5	-70.9	-172	177.2	-175.6	0	107.3	K200 C204	K200-K202 PolarHBondContact O-N 3.31Å; K200-K202 VanDerWaalsContact O-N 3.11Å; K202-C204 PolarHBondContact O-N 2.93Å
203	R	45.8	Very low	60.3	Low	243 Å²	243	126.8 Å²	126.8	92%	0.917	66%	0.664	S	S	*	*			trans	-65.7	115	161	-79.1	175.5	72.3	178.5	1.2	105.4	K201 S205	K201-R203 PolarHBondContact O-N 3.15Å; R203-S205 PolarHBondContact O-N 3.3Å; R203-S205 VanDerWaalsContact O-N 3.13Å
204	C	37.4	Very low	57.9	Low	120 Å²	120	137.7 Å²	137.7	81%	0.811	72%	0.72	S	S	*	*			trans	-57.2	117.5	162.8	-71.3	0	0	0	0	106.2	K202 E206	K202-C204 PolarHBondContact O-N 2.93Å; C204-E206 PolarHBondContact O-N 2.97Å; C204-E206 VanDerWaalsContact O-N 3.16Å
205	S	46.7	Very low	56	Low	109 Å²	109	143.3 Å²	143.3	76%	0.762	75%	0.749	S	S	*	*			trans	-61.5	113.6	162.4	47.8	0	0	0	0	106.1	R203 G207	R203-S205 PolarHBondContact O-N 3.3Å; R203-S205 VanDerWaalsContact O-N 3.13Å; S205-G207 PolarHBondContact O-N 2.95Å
206	E	46.4	Very low	54	Low	183 Å²	183	147.2 Å²	147.2	86%	0.855	77%	0.773	S	S	*	*			trans	-59.3	97.4	162.1	-75.4	173.4	156	0	0	106.2	C204 H208	C204-E206 PolarHBondContact O-N 2.97Å; C204-E206 VanDerWaalsContact O-N 3.16Å; E206-H208 PolarHBondContact O-N 3.39Å
207	G	38.2	Very low	51.9	Low	65 Å²	65	147.6 Å²	147.6	67%	0.67	78%	0.779	S	S	*	*			trans	-61.6	117.3	167.6	0	0	0	0	0	106.5	S205 S209	S205-G207 PolarHBondContact O-N 2.95Å; G207-S209 PolarHBondContact O-N 3.08Å
208	H	46.5	Very low	49.9	Very low	194 Å²	194	152.2 Å²	152.2	90%	0.898	80%	0.799	S	S	*	*			trans	-57.8	96	161.9	-79.6	-102.2	0	0	0	107.3	E206 C210	E206-H208 PolarHBondContact O-N 3.39Å; H208-C210 PolarHBondContact O-N 3.34Å; H208-C210 VanDerWaalsContact O-N 3.14Å
209	S	45	Very low	47.6	Very low	110 Å²	110	154.3 Å²	154.3	77%	0.769	82%	0.817	S	S	*	*			trans	-67	106.6	169.1	170.2	0	0	0	0	107.9	G207	G207-S209 PolarHBondContact O-N 3.08Å
210	C	37.7	Very low	45.7	Very low	98 Å²	98	151.1 Å²	151.1	66%	0.662	81%	0.812	S	S	*	*			trans	35.8	97.9	131.8	-157.2	0	0	0	0	116.1	H208	H208-C210 PolarHBondContact O-N 3.34Å; H208-C210 VanDerWaalsContact O-N 3.14Å
211	C	40.2	Very low	44.3	Very low	135 Å²	135	152.9 Å²	152.9	91%	0.912	83%	0.831	S	S	*	*			trans	-81	115.7	150	-88.6	0	0	0	0	108.4
212	S	45.6	Very low	43.3	Very low	89 Å²	89	148.8 Å²	148.8	62%	0.622	83%	0.826	S	S	*	*			trans	-152.9	146.5	159.5	-64.1	0	0	0	0	107.9
213	I	40.5	Very low	42.9	Very low	157 Å²	157	144.5 Å²	144.5	81%	0.805	82%	0.822	S	S	*	*			trans	87	116.3	172.2	-52.2	172.5	0	0	0	112
214	I	45	Very low	42.7	Very low	231 Å²	231	135.5 Å²	135.5	100%	1.185	81%	0.814	S	S	*	*			cis	-147.6	0	5.4	-94.3	153.5	0	0	0	106.8

Retrieved 214 of 214 residues in 609.9 ms (Link to these results)

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