Z4YLR0_MOUSE Loading...

Alpha-N-acetylgalactosaminide alpha-2,6-sialyltransferase 6

AlphaFold DB , UniProt , Accession Z4YLR0, Species MOUSE (Mus musculus, Mouse), Gene St6galnac6, Length 313 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	33	Very low	36.2	Very low	240 Å²	240	159.1 Å²	159.1	100%	1.182	85%	0.851	S	S	*	*				0	120.3	0	-93.4	176.4	161.6	0	0	109.4
2	M	31	Very low	36.5	Very low	169 Å²	169	155.4 Å²	155.4	83%	0.833	84%	0.844	S	S	*	*			trans	78.1	114.2	145	-118.5	155.1	-175.9	0	0	123
3	K	31.5	Very low	36.5	Very low	162 Å²	162	147.8 Å²	147.8	70%	0.704	83%	0.825	S	S	*	*			trans	82.9	91.9	147.2	-81.2	171.9	177.4	169.9	0	120
4	L	35.2	Very low	37.7	Very low	183 Å²	183	145.8 Å²	145.8	96%	0.958	83%	0.825	S	S	*	*			trans	-64.5	128.9	140.8	-80.4	145.6	0	0	0	109.9
5	R	35.3	Very low	38.5	Very low	220 Å²	220	138.9 Å²	138.9	83%	0.83	80%	0.8	S	S	*	*			trans	-121.6	114.2	163	-85.2	-175.2	175	-172.8	-0.8	107.8
6	G	43.5	Very low	39	Very low	73 Å²	73	136.7 Å²	136.7	75%	0.753	79%	0.789	S	S	*	*			trans	-81.7	153.5	165.5	0	0	0	0	0	111
7	P	39.9	Very low	39.3	Very low	117 Å²	117	132.4 Å²	132.4	76%	0.76	77%	0.768	S	S	*	*			trans	-97	109.5	159.6	15.3	3.6	0	0	0	108.9
8	L	35.6	Very low	39.5	Very low	164 Å²	164	135.9 Å²	135.9	86%	0.859	77%	0.766	S	S	*	*				88.5	95.7	98.9	-76.6	163.5	0	0	0	112.5	G10	L8-G10 PolarHBondContact O-N 3.08Å; L8-G10 VanDerWaalsContact O-N 3.09Å
9	L	39.3	Very low	40	Very low	163 Å²	163	136.8 Å²	136.8	85%	0.853	76%	0.761	S	S	*	*			trans	-52.6	109.6	160.3	-88.2	89.6	0	0	0	109.3	H11	L9-H11 PolarHBondContact O-N 2.99Å; L9-H11 VanDerWaalsContact O-N 3.12Å
10	G	35.3	Very low	40.6	Very low	75 Å²	75	137.3 Å²	137.3	77%	0.773	76%	0.757	S	S	*	*			trans	-65.8	105.7	165.2	0	0	0	0	0	109.7	L8 C12	L8-G10 PolarHBondContact O-N 3.08Å; L8-G10 VanDerWaalsContact O-N 3.09Å; G10-C12 PolarHBondContact O-N 3.22Å
11	H	38.8	Very low	41.4	Very low	184 Å²	184	137 Å²	137	85%	0.852	75%	0.751	S	S	*	*			trans	-55.3	117.9	166.5	-89.1	55.1	0	0	0	109.8	L9 G13	L9-H11 PolarHBondContact O-N 2.99Å; L9-H11 VanDerWaalsContact O-N 3.12Å; H11-G13 PolarHBondContact O-N 2.86Å; H11-G13 VanDerWaalsContact O-N 3.14Å
12	C	40	Very low	42.6	Very low	115 Å²	115	133.7 Å²	133.7	78%	0.777	73%	0.725	S	S	*	*			trans	-78.7	96.2	171.7	-144	0	0	0	0	108.4	G10 S14	G10-C12 PolarHBondContact O-N 3.22Å; C12-S14 PolarHBondContact O-N 2.95Å
13	G	36.1	Very low	44	Very low	57 Å²	57	129.2 Å²	129.2	59%	0.588	71%	0.71	S	S	*	*			trans	-70	122.2	176.5	0	0	0	0	0	112.3	H11	H11-G13 PolarHBondContact O-N 2.86Å; H11-G13 VanDerWaalsContact O-N 3.14Å
14	S	53.2	Low	45.9	Very low	119 Å²	119	123.8 Å²	123.8	83%	0.832	70%	0.695	S	S	*	*	T	Hydrogen-bonded Turn	trans	-4.1	118.8	158.2	52.7	0	0	0	0	118.8	C12	C12-S14 PolarHBondContact O-N 2.95Å
15	G	50.2	Low	47.8	Very low	43 Å²	43	118.8 Å²	118.8	44%	0.443	67%	0.672	S	S	.	*	T	Hydrogen-bonded Turn	trans	132	-39.2	146.7	0	0	0	0	0	116.2
16	T	46.6	Very low	49.6	Very low	103 Å²	103	115.5 Å²	115.5	63%	0.632	66%	0.664	S	S	*	*	S	Bend	trans	-96.5	-43.3	-171.5	45	0	0	0	0	113.1	W18 K19 E20	T16-W18 VanDerWaalsContact C-N 3.34Å; T16-W18 PolarHBondContact O-N 3.16Å; T16-K19 PolarHBondContact O-N 2.81Å; T16-K19 VanDerWaalsContact O-N 3.12Å; T16-E20 PolarHBondContact O-N 3.46Å; T16-E20 VanDerWaalsContact O-N 3.08Å
17	C	43.5	Very low	51.2	Low	63 Å²	63	116.7 Å²	116.7	43%	0.426	66%	0.657	S	S	.	*	H	α-helix	trans	-62.6	-36.5	179.3	-174	0	0	0	0	113.2	Q21	C17-Q21 WeakPolarHBondContact O-CB 3.48Å; C17-Q21 VanDerWaalsContact O-CG 3.25Å; C17-Q21 WeakPolarHBondContact O-CG 3.48Å; C17-Q21 PolarHBondContact O-N 3.39Å
18	W	43	Very low	53.3	Low	196 Å²	196	116 Å²	116	74%	0.742	65%	0.646	S	S	*	*	H	α-helix	trans	-72.7	-26.8	176	-76.8	84.5	0	0	0	113.7	T16 R22	T16-W18 VanDerWaalsContact C-N 3.34Å; T16-W18 PolarHBondContact O-N 3.16Å; W18-R22 VanDerWaalsContact O-CB 3.29Å; W18-R22 WeakPolarHBondContact O-CB 3.11Å; W18-R22 WeakPolarHBondContact O-CD 3.44Å; W18-R22 WeakPolarHBondContact O-CG 3.42Å; W18-R22 PolarHBondContact O-N 3.05Å; W18-R22 VanDerWaalsContact O-N 3.15Å
19	K	48.8	Very low	55.4	Low	154 Å²	154	112.5 Å²	112.5	67%	0.67	63%	0.627	S	S	*	*	H	α-helix	trans	-75.9	-41.8	175.2	-88	-179.4	175.5	178.6	0	111	T16 R22 S23	T16-K19 PolarHBondContact O-N 2.81Å; T16-K19 VanDerWaalsContact O-N 3.12Å; K19-R22 PolarHBondContact O-N 2.91Å; K19-S23 WeakPolarHBondContact O-CB 3.36Å; K19-S23 PolarHBondContact O-N 2.93Å; K19-S23 PolarHBondContact O-OG 2.7Å; K19-S23 VanDerWaalsContact O-OG 3.12Å
20	E	52.7	Low	57.4	Low	145 Å²	145	111.7 Å²	111.7	68%	0.678	62%	0.617	S	S	*	*	H	α-helix	trans	-66.6	-42.7	176.7	-72.4	-175.9	164.6	0	0	112.1	T16 S23 A24	T16-E20 PolarHBondContact O-N 3.46Å; T16-E20 VanDerWaalsContact O-N 3.08Å; E20-S23 PolarHBondContact O-N 3.3Å; E20-A24 VanDerWaalsContact O-CB 3.29Å; E20-A24 WeakPolarHBondContact O-CB 3.46Å; E20-A24 PolarHBondContact O-N 2.79Å
21	Q	56	Low	59.7	Low	132 Å²	132	110.2 Å²	110.2	62%	0.617	60%	0.598	S	S	*	*	H	α-helix	trans	-62.3	-42.9	174.2	-74.2	-94.2	-47.8	0	0	112	C17 A24 V25	C17-Q21 WeakPolarHBondContact O-CB 3.48Å; C17-Q21 VanDerWaalsContact O-CG 3.25Å; C17-Q21 WeakPolarHBondContact O-CG 3.48Å; C17-Q21 PolarHBondContact O-N 3.39Å; Q21-A24 PolarHBondContact O-N 3.11Å; Q21-V25 VanDerWaalsContact O-CG2 3.25Å; Q21-V25 WeakPolarHBondContact O-CG2 3.45Å; Q21-V25 PolarHBondContact O-N 3.25Å
22	R	58.2	Low	61.8	Low	171 Å²	171	106.4 Å²	106.4	65%	0.645	58%	0.583	S	S	*	*	H	α-helix	trans	-66.5	-43.8	176.3	-76.9	172.9	123.3	176.7	-0.5	112	W18 K19 A24 V25 F26	W18-R22 VanDerWaalsContact O-CB 3.29Å; W18-R22 WeakPolarHBondContact O-CB 3.11Å; W18-R22 WeakPolarHBondContact O-CD 3.44Å; W18-R22 WeakPolarHBondContact O-CG 3.42Å; W18-R22 PolarHBondContact O-N 3.05Å; W18-R22 VanDerWaalsContact O-N 3.15Å; K19-R22 PolarHBondContact O-N 2.91Å; R22-A24 VanDerWaalsContact C-N 3.34Å; R22-A24 PolarHBondContact O-N 2.87Å; R22-V25 PolarHBondContact O-N 3.3Å; R22-F26 WeakPolarHBondContact O-CD2 3.29Å; R22-F26 PolarHBondContact O-N 3.29Å
23	S	62.2	Low	63.7	Low	74 Å²	74	104.8 Å²	104.8	52%	0.517	57%	0.566	S	S	.	*	H	α-helix	trans	-62.1	-41.4	175.5	-71.4	0	0	0	0	111.6	K19 E20 F26 V27	K19-S23 WeakPolarHBondContact O-CB 3.36Å; K19-S23 PolarHBondContact O-N 2.93Å; K19-S23 PolarHBondContact O-OG 2.7Å; K19-S23 VanDerWaalsContact O-OG 3.12Å; E20-S23 PolarHBondContact O-N 3.3Å; S23-F26 PolarHBondContact O-N 3.43Å; S23-V27 WeakPolarHBondContact O-CB 3.35Å; S23-V27 VanDerWaalsContact O-CG2 3.23Å; S23-V27 WeakPolarHBondContact O-CG2 3.16Å; S23-V27 PolarHBondContact O-N 2.89Å
24	A	70.6	Confident	65.7	Low	48 Å²	48	104.3 Å²	104.3	40%	0.397	55%	0.552	S	S	.	*	H	α-helix	trans	-62.7	-42.6	174.9	0	0	0	0	0	111.8	E20 Q21 R22 V27 I28	E20-A24 VanDerWaalsContact O-CB 3.29Å; E20-A24 WeakPolarHBondContact O-CB 3.46Å; E20-A24 PolarHBondContact O-N 2.79Å; Q21-A24 PolarHBondContact O-N 3.11Å; R22-A24 VanDerWaalsContact C-N 3.34Å; R22-A24 PolarHBondContact O-N 2.87Å; A24-V27 PolarHBondContact O-N 3.29Å; A24-I28 WeakPolarHBondContact O-CB 3.4Å; A24-I28 VanDerWaalsContact O-CG1 3.23Å; A24-I28 WeakPolarHBondContact O-CG1 3.48Å; A24-I28 PolarHBondContact O-N 3.01Å
25	V	75.6	Confident	67	Low	78 Å²	78	103.6 Å²	103.6	47%	0.473	54%	0.537	S	S	.	.	H	α-helix	trans	-63	-42.8	175.2	170.8	0	0	0	0	111.3	Q21 R22 I28 L29	Q21-V25 VanDerWaalsContact O-CG2 3.25Å; Q21-V25 WeakPolarHBondContact O-CG2 3.45Å; Q21-V25 PolarHBondContact O-N 3.25Å; R22-V25 PolarHBondContact O-N 3.3Å; V25-I28 PolarHBondContact O-N 3.42Å; V25-L29 HydrophobicContact CG1-CD1 3.92Å; V25-L29 WeakPolarHBondContact O-CB 3.45Å; V25-L29 PolarHBondContact O-N 3.38Å
26	F	73.6	Confident	68	Low	151 Å²	151	107 Å²	107	66%	0.662	55%	0.545	S	S	*	.	H	α-helix	trans	-64.8	-38.8	176.1	-86.3	-71.6	0	0	0	112.6	R22 S23 L29 F30	R22-F26 WeakPolarHBondContact O-CD2 3.29Å; R22-F26 PolarHBondContact O-N 3.29Å; S23-F26 PolarHBondContact O-N 3.43Å; F26-L29 PolarHBondContact O-N 3Å; F26-F30 WeakPolarHBondContact O-CB 3.27Å; F26-F30 PolarHBondContact O-N 3.02Å
27	V	76.7	Confident	69.2	Low	98 Å²	98	106.5 Å²	106.5	59%	0.594	54%	0.537	S	S	*	.	H	α-helix	trans	-66.5	-41.4	175.8	171.3	0	0	0	0	110.8	S23 A24 F30 A31	S23-V27 WeakPolarHBondContact O-CB 3.35Å; S23-V27 VanDerWaalsContact O-CG2 3.23Å; S23-V27 WeakPolarHBondContact O-CG2 3.16Å; S23-V27 PolarHBondContact O-N 2.89Å; A24-V27 PolarHBondContact O-N 3.29Å; V27-F30 PolarHBondContact O-N 2.99Å; V27-A31 VanDerWaalsContact O-CB 3.26Å; V27-A31 WeakPolarHBondContact O-CB 3.42Å; V27-A31 PolarHBondContact O-N 3.19Å
28	I	82.4	Confident	70.3	Confident	104 Å²	104	108.8 Å²	108.8	53%	0.533	55%	0.545	S	S	.	.	H	α-helix	trans	-66.3	-44.8	176	-67.9	165.3	0	0	0	110.6	A24 V25 F30 A31 L32	A24-I28 WeakPolarHBondContact O-CB 3.4Å; A24-I28 VanDerWaalsContact O-CG1 3.23Å; A24-I28 WeakPolarHBondContact O-CG1 3.48Å; A24-I28 PolarHBondContact O-N 3.01Å; V25-I28 PolarHBondContact O-N 3.42Å; I28-F30 PolarHBondContact O-N 3.25Å; I28-A31 PolarHBondContact O-N 3.01Å; I28-L32 HydrophobicContact CG2-CD1 3.84Å; I28-L32 HydrophobicContact CG2-CG 4.28Å; I28-L32 WeakPolarHBondContact O-CB 3.36Å; I28-L32 VanDerWaalsContact O-CG 3.24Å; I28-L32 WeakPolarHBondContact O-CG 3.39Å; I28-L32 PolarHBondContact O-N 2.66Å
29	L	79.9	Confident	71.4	Confident	90 Å²	90	107.2 Å²	107.2	47%	0.471	54%	0.54	S	S	.	.	H	α-helix	trans	-62.3	-43.2	176.1	-110.1	138.8	0	0	0	111.6	V25 F26 L32 I33	V25-L29 HydrophobicContact CG1-CD1 3.92Å; V25-L29 WeakPolarHBondContact O-CB 3.45Å; V25-L29 PolarHBondContact O-N 3.38Å; F26-L29 PolarHBondContact O-N 3Å; L29-L32 PolarHBondContact O-N 2.88Å; L29-I33 HydrophobicContact CD2-CD1 3.95Å; L29-I33 VanDerWaalsContact O-CB 3.31Å; L29-I33 WeakPolarHBondContact O-CB 3.5Å; L29-I33 WeakPolarHBondContact O-CD1 3.31Å; L29-I33 WeakPolarHBondContact O-CG1 3.48Å; L29-I33 PolarHBondContact O-N 3.13Å
30	F	81.6	Confident	71.8	Confident	145 Å²	145	102.9 Å²	102.9	64%	0.636	53%	0.529	S	S	*	.	H	α-helix	trans	-64.4	-41.9	176.1	-174.3	-95.7	0	0	0	111.2	F26 V27 I28 I33 T34	F26-F30 WeakPolarHBondContact O-CB 3.27Å; F26-F30 PolarHBondContact O-N 3.02Å; V27-F30 PolarHBondContact O-N 2.99Å; I28-F30 PolarHBondContact O-N 3.25Å; F30-I33 PolarHBondContact O-N 3.1Å; F30-T34 WeakPolarHBondContact O-CB 3.36Å; F30-T34 PolarHBondContact O-N 3.38Å; F30-T34 PolarHBondContact O-OG1 3.09Å
31	A	83.6	Confident	71.7	Confident	44 Å²	44	99.1 Å²	99.1	36%	0.364	52%	0.519	S	S	.	.	H	α-helix	trans	-63.6	-44.1	174.8	0	0	0	0	0	111.7	V27 I28 T34 I35	V27-A31 VanDerWaalsContact O-CB 3.26Å; V27-A31 WeakPolarHBondContact O-CB 3.42Å; V27-A31 PolarHBondContact O-N 3.19Å; I28-A31 PolarHBondContact O-N 3.01Å; A31-T34 PolarHBondContact O-N 3.43Å; A31-I35 VanDerWaalsContact O-CB 3.31Å; A31-I35 WeakPolarHBondContact O-CB 3.38Å; A31-I35 WeakPolarHBondContact O-CD1 3.49Å; A31-I35 WeakPolarHBondContact O-CG1 3.47Å; A31-I35 PolarHBondContact O-N 2.82Å
32	L	84.3	Confident	71.2	Confident	104 Å²	104	98.6 Å²	98.6	55%	0.545	52%	0.52	S	S	.	.	H	α-helix	trans	-66.4	-40.8	177.5	-71.3	172.6	0	0	0	112.2	I28 L29 I35 L36	I28-L32 HydrophobicContact CG2-CD1 3.84Å; I28-L32 HydrophobicContact CG2-CG 4.28Å; I28-L32 WeakPolarHBondContact O-CB 3.36Å; I28-L32 VanDerWaalsContact O-CG 3.24Å; I28-L32 WeakPolarHBondContact O-CG 3.39Å; I28-L32 PolarHBondContact O-N 2.66Å; L29-L32 PolarHBondContact O-N 2.88Å; L32-I35 PolarHBondContact O-N 2.64Å; L32-L36 VanDerWaalsContact O-CB 3.25Å; L32-L36 WeakPolarHBondContact O-CB 3.45Å; L32-L36 PolarHBondContact O-N 3.46Å
33	I	79.7	Confident	70.4	Confident	81 Å²	81	93.9 Å²	93.9	42%	0.415	51%	0.513	S	S	.	.	H	α-helix	trans	-66.5	-41.3	174.7	-70.3	165.3	0	0	0	110.1	L29 F30 L36 I37	L29-I33 HydrophobicContact CD2-CD1 3.95Å; L29-I33 VanDerWaalsContact O-CB 3.31Å; L29-I33 WeakPolarHBondContact O-CB 3.5Å; L29-I33 WeakPolarHBondContact O-CD1 3.31Å; L29-I33 WeakPolarHBondContact O-CG1 3.48Å; L29-I33 PolarHBondContact O-N 3.13Å; F30-I33 PolarHBondContact O-N 3.1Å; I33-L36 CarbonylContact O-C 3.58Å; I33-L36 PolarHBondContact O-N 3.03Å; I33-I37 HydrophobicContact CG2-CD1 3.69Å; I33-I37 HydrophobicContact CG2-CG1 4.3Å; I33-I37 WeakPolarHBondContact O-CB 3.26Å; I33-I37 WeakPolarHBondContact O-CG1 3.09Å; I33-I37 PolarHBondContact O-N 2.02Å
34	T	77.4	Confident	69.5	Low	48 Å²	48	94.1 Å²	94.1	29%	0.294	52%	0.519	S	S	.	.	H	α-helix	trans	-66.9	-41.5	177.2	-54.8	0	0	0	0	110.7	F30 A31 L36 I37 L38	F30-T34 WeakPolarHBondContact O-CB 3.36Å; F30-T34 PolarHBondContact O-N 3.38Å; F30-T34 PolarHBondContact O-OG1 3.09Å; A31-T34 PolarHBondContact O-N 3.43Å; T34-L36 VanDerWaalsContact C-N 3.33Å; T34-L36 PolarHBondContact O-N 2.86Å; T34-I37 PolarHBondContact O-N 3.12Å; T34-L38 HydrophobicContact CG2-CD1 4.08Å; T34-L38 HydrophobicContact CG2-CG 4.41Å; T34-L38 VanDerWaalsContact O-CB 3.29Å; T34-L38 WeakPolarHBondContact O-CB 3.18Å; T34-L38 WeakPolarHBondContact O-CG 3.18Å; T34-L38 PolarHBondContact O-N 3.32Å
35	I	79.8	Confident	67.8	Low	103 Å²	103	97 Å²	97	53%	0.528	53%	0.529	S	S	.	.	H	α-helix	trans	-63.3	-39.8	172.6	-70.7	164	0	0	0	110.3	A31 L32 L38 Y39	A31-I35 VanDerWaalsContact O-CB 3.31Å; A31-I35 WeakPolarHBondContact O-CB 3.38Å; A31-I35 WeakPolarHBondContact O-CD1 3.49Å; A31-I35 WeakPolarHBondContact O-CG1 3.47Å; A31-I35 PolarHBondContact O-N 2.82Å; L32-I35 PolarHBondContact O-N 2.64Å; I35-L38 PolarHBondContact O-N 3.15Å; I35-Y39 WeakPolarHBondContact O-CA 3.46Å; I35-Y39 WeakPolarHBondContact O-CB 3.48Å; I35-Y39 PolarHBondContact O-N 3.38Å
36	L	72.8	Confident	65.8	Low	115 Å²	115	100.3 Å²	100.3	60%	0.602	54%	0.539	S	S	*	.	H	α-helix	trans	-68.1	-38.5	176.1	-169.1	75.5	0	0	0	111.8	L32 I33 T34 S40	L32-L36 VanDerWaalsContact O-CB 3.25Å; L32-L36 WeakPolarHBondContact O-CB 3.45Å; L32-L36 PolarHBondContact O-N 3.46Å; I33-L36 CarbonylContact O-C 3.58Å; I33-L36 PolarHBondContact O-N 3.03Å; T34-L36 VanDerWaalsContact C-N 3.33Å; T34-L36 PolarHBondContact O-N 2.86Å; L36-S40 WeakPolarHBondContact O-CB 3.42Å; L36-S40 PolarHBondContact O-N 3.09Å; L36-S40 PolarHBondContact O-OG 2.73Å
37	I	69.9	Low	64	Low	92 Å²	92	97.9 Å²	97.9	47%	0.472	54%	0.536	S	S	.	.	H	α-helix	trans	-67.3	-41.7	174.1	-70.5	167	0	0	0	110.2	I33 T34 S40 S41	I33-I37 HydrophobicContact CG2-CD1 3.69Å; I33-I37 HydrophobicContact CG2-CG1 4.3Å; I33-I37 WeakPolarHBondContact O-CB 3.26Å; I33-I37 WeakPolarHBondContact O-CG1 3.09Å; I33-I37 PolarHBondContact O-N 2.02Å; T34-I37 PolarHBondContact O-N 3.12Å; I37-S40 WeakPolarHBondContact CA-OG 3.29Å; I37-S40 PolarHBondContact O-OG 3.09Å; I37-S41 WeakPolarHBondContact O-CB 3.42Å; I37-S41 PolarHBondContact O-N 2.87Å; I37-S41 PolarHBondContact O-OG 2.55Å
38	L	68.1	Low	62.1	Low	111 Å²	111	99.6 Å²	99.6	58%	0.581	54%	0.536	S	S	*	.	H	α-helix	trans	-67.8	-42.1	175.3	-72.4	171.6	0	0	0	110.8	T34 I35 S41 N42	T34-L38 HydrophobicContact CG2-CD1 4.08Å; T34-L38 HydrophobicContact CG2-CG 4.41Å; T34-L38 VanDerWaalsContact O-CB 3.29Å; T34-L38 WeakPolarHBondContact O-CB 3.18Å; T34-L38 WeakPolarHBondContact O-CG 3.18Å; T34-L38 PolarHBondContact O-N 3.32Å; I35-L38 PolarHBondContact O-N 3.15Å; L38-S41 PolarHBondContact O-N 3.41Å; L38-N42 VanDerWaalsContact O-CB 3.25Å; L38-N42 WeakPolarHBondContact O-CB 3.13Å; L38-N42 PolarHBondContact O-N 3.03Å
39	Y	66.5	Low	59.6	Low	164 Å²	164	103.1 Å²	103.1	64%	0.643	55%	0.549	S	S	*	.	H	α-helix	trans	-71	-36.2	178.3	-166.6	-92.9	0	0	0	112.2	I35 N42 S43	I35-Y39 WeakPolarHBondContact O-CA 3.46Å; I35-Y39 WeakPolarHBondContact O-CB 3.48Å; I35-Y39 PolarHBondContact O-N 3.38Å; Y39-N42 PolarHBondContact O-N 3.49Å; Y39-S43 VanDerWaalsContact O-CB 3.27Å; Y39-S43 WeakPolarHBondContact O-CB 3.32Å; Y39-S43 PolarHBondContact O-N 2.87Å; Y39-S43 PolarHBondContact O-OG 2.81Å
40	S	55.8	Low	57.6	Low	63 Å²	63	106.5 Å²	106.5	44%	0.441	56%	0.557	S	S	.	*	H	α-helix	trans	-74.8	-31.3	172.5	59.8	0	0	0	0	112.5	L36 I37 A44	L36-S40 WeakPolarHBondContact O-CB 3.42Å; L36-S40 PolarHBondContact O-N 3.09Å; L36-S40 PolarHBondContact O-OG 2.73Å; I37-S40 WeakPolarHBondContact CA-OG 3.29Å; I37-S40 PolarHBondContact O-OG 3.09Å; S40-A44 VanDerWaalsContact O-CB 3.24Å; S40-A44 WeakPolarHBondContact O-CB 3.3Å; S40-A44 PolarHBondContact O-N 2.71Å
41	S	51.7	Low	55.4	Low	66 Å²	66	102.3 Å²	102.3	46%	0.462	56%	0.555	S	S	.	*	H	α-helix	trans	-72.5	-33.8	169.8	-64.1	0	0	0	0	111.7	I37 L38 A44 N45	I37-S41 WeakPolarHBondContact O-CB 3.42Å; I37-S41 PolarHBondContact O-N 2.87Å; I37-S41 PolarHBondContact O-OG 2.55Å; L38-S41 PolarHBondContact O-N 3.41Å; S41-A44 CarbonylContact O-C 3.59Å; S41-A44 PolarHBondContact O-N 2.75Å; S41-N45 PolarHBondContact O-N 2.83Å
42	N	44.5	Very low	53.3	Low	121 Å²	121	104.4 Å²	104.4	65%	0.647	57%	0.567	S	S	*	*	H	α-helix	trans	-76.1	-30.5	174.2	-130.8	18.2	0	0	0	111.8	L38 Y39 A44 N45	L38-N42 VanDerWaalsContact O-CB 3.25Å; L38-N42 WeakPolarHBondContact O-CB 3.13Å; L38-N42 PolarHBondContact O-N 3.03Å; Y39-N42 PolarHBondContact O-N 3.49Å; N42-A44 VanDerWaalsContact C-N 3.34Å; N42-N45 WeakPolarHBondContact O-CB 3.45Å; N42-N45 PolarHBondContact O-N 3.03Å
43	S	42.8	Very low	51.8	Low	72 Å²	72	105.6 Å²	105.6	50%	0.503	57%	0.573	S	S	.	*	H	α-helix	trans	-76	-21.7	168.2	-65.6	0	0	0	0	112.6	Y39	Y39-S43 VanDerWaalsContact O-CB 3.27Å; Y39-S43 WeakPolarHBondContact O-CB 3.32Å; Y39-S43 PolarHBondContact O-N 2.87Å; Y39-S43 PolarHBondContact O-OG 2.81Å
44	A	41.4	Very low	50.2	Low	78 Å²	78	112.7 Å²	112.7	65%	0.645	60%	0.595	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78	-8.1	167.8	0	0	0	0	0	112.5	S40 S41 N42 E46	S40-A44 VanDerWaalsContact O-CB 3.24Å; S40-A44 WeakPolarHBondContact O-CB 3.3Å; S40-A44 PolarHBondContact O-N 2.71Å; S41-A44 CarbonylContact O-C 3.59Å; S41-A44 PolarHBondContact O-N 2.75Å; N42-A44 VanDerWaalsContact C-N 3.34Å; A44-E46 VanDerWaalsContact C-N 3.34Å
45	N	35	Very low	48.5	Very low	110 Å²	110	114 Å²	114	59%	0.588	62%	0.618	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.1	32.2	171.2	-103.1	1	0	0	0	112.5	S41 N42 V47	S41-N45 PolarHBondContact O-N 2.83Å; N42-N45 WeakPolarHBondContact O-CB 3.45Å; N42-N45 PolarHBondContact O-N 3.03Å; N45-V47 PolarHBondContact O-N 3.14Å
46	E	34.2	Very low	46.9	Very low	146 Å²	146	118.8 Å²	118.8	68%	0.682	63%	0.629	S	S	*	*			trans	-67.2	79.6	142.7	-75.5	-143.9	167.1	0	0	107.9	A44 F48	A44-E46 VanDerWaalsContact C-N 3.34Å; E46-F48 PolarHBondContact O-N 3.26Å
47	V	35.8	Very low	45.6	Very low	100 Å²	100	120.8 Å²	120.8	61%	0.606	65%	0.646	S	S	*	*			trans	-52.2	93.2	151.6	177.5	0	0	0	0	104.2	N45 H49	N45-V47 PolarHBondContact O-N 3.14Å; V47-H49 VanDerWaalsContact C-N 3.28Å; V47-H49 PolarHBondContact O-N 2.84Å
48	F	36.4	Very low	45	Very low	134 Å²	134	124.5 Å²	124.5	59%	0.588	65%	0.654	S	S	*	*			trans	-52.2	105	168.4	-85.1	-86.4	0	0	0	105.3	E46 Y50	E46-F48 PolarHBondContact O-N 3.26Å; F48-Y50 PolarHBondContact O-N 3.07Å
49	H	30.2	Very low	44.8	Very low	178 Å²	178	130.3 Å²	130.3	82%	0.824	67%	0.669	S	S	*	*			trans	-53.4	111.6	171.1	-81	-76.3	0	0	0	105.5	V47 G51	V47-H49 VanDerWaalsContact C-N 3.28Å; V47-H49 PolarHBondContact O-N 2.84Å; H49-G51 PolarHBondContact O-N 2.89Å
50	Y	38.2	Very low	44.9	Very low	161 Å²	161	125.8 Å²	125.8	63%	0.631	66%	0.659	S	S	*	*			trans	-66.5	73.2	163.7	-96.5	-77.5	0	0	0	106.7	F48 S52 R294	F48-Y50 PolarHBondContact O-N 3.07Å; Y50-S52 PolarHBondContact O-N 2.91Å; Y50-R294 VanDerWaalsContact CE1-NH2 3.28Å; Y50-R294 PolarHBondContact OH-NH1 2.82Å; Y50-R294 PolarHBondContact OH-NH2 3.37Å
51	G	35.1	Very low	46.1	Very low	58 Å²	58	125.8 Å²	125.8	60%	0.598	66%	0.656	S	S	*	*			trans	-63.5	131	165.1	0	0	0	0	0	107	H49 L53	H49-G51 PolarHBondContact O-N 2.89Å; G51-L53 PolarHBondContact O-N 2.94Å
52	S	40.8	Very low	47.6	Very low	87 Å²	87	126.1 Å²	126.1	61%	0.608	65%	0.653	S	S	*	*			trans	-33.4	139.8	150.7	172.4	0	0	0	0	109.2	Y50 R54	Y50-S52 PolarHBondContact O-N 2.91Å; S52-R54 PolarHBondContact O-N 3.47Å
53	L	51.1	Low	49.6	Very low	130 Å²	130	120.3 Å²	120.3	68%	0.681	62%	0.622	S	S	*	*	S	Bend	trans	-56.9	74.4	166.3	-73.9	159.8	0	0	0	109	G51	G51-L53 PolarHBondContact O-N 2.94Å
54	R	46.3	Very low	51.4	Low	229 Å²	229	119.1 Å²	119.1	86%	0.864	61%	0.608	S	S	*	*			trans	-124.1	113.7	-179.8	-95.3	-176	176.9	-171.2	0.3	106.4	S52	S52-R54 PolarHBondContact O-N 3.47Å
55	G	42.9	Very low	53.5	Low	75 Å²	75	123.8 Å²	123.8	77%	0.773	61%	0.613	S	S	*	*	S	Bend	trans	127.6	38.9	156.9	0	0	0	0	0	117.5
56	R	44.6	Very low	55.8	Low	205 Å²	205	120.4 Å²	120.4	77%	0.774	59%	0.592	S	S	*	*			trans	-143.2	117.2	136.7	-105.8	175.1	-175.1	174.7	0.8	108	R58	R56-R58 PolarHBondContact O-N 3.28Å
57	T	45.8	Very low	57.9	Low	156 Å²	156	116.6 Å²	116.6	96%	0.957	58%	0.582	S	S	*	*			trans	-64.6	51.6	164.2	40.4	0	0	0	0	110.4
58	R	57.4	Low	59.8	Low	171 Å²	171	113.9 Å²	113.9	65%	0.645	56%	0.562	S	S	*	*	P	Polyproline II helix	trans	-79.8	121.4	167	-101.8	-177.9	171.1	175.4	-4.9	106.3	R56	R56-R58 PolarHBondContact O-N 3.28Å
59	R	65.1	Low	61.4	Low	233 Å²	233	112.2 Å²	112.2	88%	0.879	57%	0.567	S	S	*	*	P	Polyproline II helix	trans	-51.2	129.7	162.8	-75.4	-177.2	175.9	178.7	-1.5	107.1	V61	R59-V61 PolarHBondContact O-N 3.29Å
60	P	67.9	Low	63.6	Low	68 Å²	68	107.8 Å²	107.8	44%	0.442	56%	0.556	S	S	.	*	P	Polyproline II helix	trans	-56.6	140.1	179.6	21.2	-30.3	0	0	0	109.3	N62 L302	P60-N62 PolarHBondContact O-N 3.5Å; P60-L302 HydrophobicContact CB-CD2 3.41Å; P60-L302 VanDerWaalsContact CB-CD2 3.41Å; P60-L302 HydrophobicContact CG-CD1 4.15Å; P60-L302 HydrophobicContact CG-CD2 3.49Å; P60-L302 VanDerWaalsContact CG-CD2 3.49Å; P60-L302 HydrophobicContact CG-CG 4.49Å
61	V	80.3	Confident	66.1	Low	63 Å²	63	100.1 Å²	100.1	38%	0.382	53%	0.526	S	S	.	.			trans	-62.7	114.1	-176.8	176.7	0	0	0	0	107.9	R59 L63 W66 L206 Y303	R59-V61 PolarHBondContact O-N 3.29Å; V61-L63 HydrophobicContact CG1-CD2 4.22Å; V61-L63 PolarHBondContact O-N 3.06Å; V61-W66 HydrophobicContact CG1-CZ2 3.79Å; V61-W66 VanDerWaalsContact CG1-NE1 3.26Å; V61-L206 HydrophobicContact CB-CD1 3.89Å; V61-L206 HydrophobicContact CG1-CD1 4.35Å; V61-L206 HydrophobicContact CG2-CD1 4.01Å; V61-Y303 PolarHBondContact O-OH 3.44Å
62	N	84.1	Confident	68.8	Low	73 Å²	73	97.8 Å²	97.8	39%	0.39	50%	0.499	S	S	.	.			trans	-70.7	94.4	-179	-173.3	-29.3	0	0	0	110.6	P60 K64 K65	P60-N62 PolarHBondContact O-N 3.5Å; N62-K64 PolarHBondContact O-N 3.36Å; N62-K64 VanDerWaalsContact OD1-CB 3.29Å; N62-K64 WeakPolarHBondContact OD1-CB 3.2Å; N62-K64 PolarHBondContact OD1-N 2.92Å; N62-K64 VanDerWaalsContact OD1-N 3.08Å; N62-K65 HydrophobicContact CB-CD 4.43Å; N62-K65 HydrophobicContact CB-CG 4.41Å; N62-K65 PolarHBondContact O-N 3.33Å; N62-K65 PolarHBondContact OD1-N 3.41Å
63	L	85.4	Confident	71.2	Confident	0 Å²	0	96.7 Å²	96.7	0%	0	48%	0.484	C	S	.	.	G	3₁₀ helix	trans	-62	-28.8	-179.1	-59.2	179	0	0	0	112.2	V61 K65 W66 L206 V230 V233 W299 Y303	V61-L63 HydrophobicContact CG1-CD2 4.22Å; V61-L63 PolarHBondContact O-N 3.06Å; L63-K65 PolarHBondContact O-N 2.77Å; L63-W66 HydrophobicContact CD2-CD2 4Å; L63-W66 HydrophobicContact CD2-CE3 4.15Å; L63-W66 HydrophobicContact CD2-CH2 3.96Å; L63-W66 HydrophobicContact CD2-CZ2 3.71Å; L63-W66 HydrophobicContact CD2-CZ3 4.16Å; L63-W66 WeakPolarHBondContact O-CB 3.47Å; L63-W66 PolarHBondContact O-N 3.24Å; L63-W66 VanDerWaalsContact O-N 3.1Å; L63-L206 HydrophobicContact CD1-CD2 4.46Å; L63-L206 HydrophobicContact CD2-CD1 4.12Å; L63-L206 HydrophobicContact CD2-CD2 3.66Å; L63-V230 HydrophobicContact CD1-CG1 4.12Å; L63-V230 HydrophobicContact CD2-CG1 4.25Å; L63-V233 HydrophobicContact CB-CG1 3.87Å; L63-V233 HydrophobicContact CD1-CB 4.21Å; L63-V233 HydrophobicContact CD1-CG1 3.92Å; L63-V233 HydrophobicContact CG-CG1 4.5Å; L63-W299 HydrophobicContact CD1-CE3 4.39Å; L63-W299 HydrophobicContact CD1-CH2 4Å; L63-W299 HydrophobicContact CD1-CZ2 4.29Å; L63-W299 HydrophobicContact CD1-CZ3 4.02Å; L63-Y303 HydrophobicContact CD1-CD2 4.47Å; L63-Y303 HydrophobicContact CD1-CE2 3.84Å; L63-Y303 HydrophobicContact CG-CE2 4.29Å
64	K	82.3	Confident	73.2	Confident	47 Å²	47	92 Å²	92	20%	0.204	46%	0.461	C	S	.	.	G	3₁₀ helix	trans	-64.7	-25.6	178.4	-62.7	-69.6	-170.5	171.1	0	113.4	N62 R84 V233 C236 D237	N62-K64 PolarHBondContact O-N 3.36Å; N62-K64 VanDerWaalsContact OD1-CB 3.29Å; N62-K64 WeakPolarHBondContact OD1-CB 3.2Å; N62-K64 PolarHBondContact OD1-N 2.92Å; N62-K64 VanDerWaalsContact OD1-N 3.08Å; K64-R84 PolarHBondContact O-NH2 2.88Å; K64-V233 VanDerWaalsContact CD-O 3.3Å; K64-V233 WeakPolarHBondContact CD-O 3.35Å; K64-V233 WeakPolarHBondContact CE-O 3.45Å; K64-V233 PolarHBondContact NZ-O 3.3Å; K64-C236 PolarHBondContact NZ-O 3.29Å; K64-D237 VanDerWaalsContact NZ-CA 3.33Å; K64-D237 IonicContact NZ-OD1 2.8Å; K64-D237 PolarHBondContact NZ-OD1 2.85Å
65	K	84	Confident	75.4	Confident	175 Å²	175	81.5 Å²	81.5	76%	0.761	42%	0.422	S	S	*	.	G	3₁₀ helix	trans	-88.5	-3.2	178	-68	-171.7	176.8	-170.9	0	113.5	N62 L63 S67	N62-K65 HydrophobicContact CB-CD 4.43Å; N62-K65 HydrophobicContact CB-CG 4.41Å; N62-K65 PolarHBondContact O-N 3.33Å; N62-K65 PolarHBondContact OD1-N 3.41Å; L63-K65 PolarHBondContact O-N 2.77Å; K65-S67 PolarHBondContact O-N 2.87Å
66	W	84	Confident	77.5	Confident	39 Å²	39	81.1 Å²	81.1	15%	0.148	40%	0.402	C	S	.	.	S	Bend	trans	-64.6	134.1	176.2	-76.3	14.5	0	0	0	110.2	V61 L63 F68 R199 Q202 F203 L206 V230 E234	V61-W66 HydrophobicContact CG1-CZ2 3.79Å; V61-W66 VanDerWaalsContact CG1-NE1 3.26Å; L63-W66 HydrophobicContact CD2-CD2 4Å; L63-W66 HydrophobicContact CD2-CE3 4.15Å; L63-W66 HydrophobicContact CD2-CH2 3.96Å; L63-W66 HydrophobicContact CD2-CZ2 3.71Å; L63-W66 HydrophobicContact CD2-CZ3 4.16Å; L63-W66 WeakPolarHBondContact O-CB 3.47Å; L63-W66 PolarHBondContact O-N 3.24Å; L63-W66 VanDerWaalsContact O-N 3.1Å; W66-F68 PolarHBondContact O-N 3.25Å; W66-R199 VanDerWaalsContact CE3-NH1 3.31Å; W66-Q202 HydrophobicContact CH2-CB 4.01Å; W66-Q202 HydrophobicContact CZ3-CB 4.29Å; W66-F203 AromaticContact CZ3-CD1 3.99Å; W66-F203 HydrophobicContact CZ3-CD1 3.99Å; W66-F203 AromaticContact CZ3-CE1 3.99Å; W66-F203 HydrophobicContact CZ3-CE1 3.99Å; W66-L206 HydrophobicContact CH2-CB 4.13Å; W66-L206 HydrophobicContact CH2-CD2 3.88Å; W66-L206 HydrophobicContact CH2-CG 4.48Å; W66-L206 HydrophobicContact CZ2-CD2 4.4Å; W66-V230 HydrophobicContact CZ3-CG1 4.09Å; W66-E234 VanDerWaalsContact CB-OE1 3.31Å; W66-E234 WeakPolarHBondContact CB-OE1 3.37Å
67	S	77.4	Confident	79.5	Confident	67 Å²	67	74.7 Å²	74.7	47%	0.469	40%	0.399	S	S	.	.			trans	-67.9	130.8	178.2	-179.3	0	0	0	0	110.1	K65 S69 R199	K65-S67 PolarHBondContact O-N 2.87Å; S67-S69 PolarHBondContact OG-OG 2.97Å; S67-R199 PolarHBondContact O-NH2 3.29Å
68	F	76.6	Confident	81.2	Confident	43 Å²	43	74.8 Å²	74.8	19%	0.189	39%	0.394	C	S	.	.			trans	-87.7	-30.1	179.1	-109.7	-106.1	0	0	0	113.5	W66 S70 A71 Y72 L81 E234 L235	W66-F68 PolarHBondContact O-N 3.25Å; F68-S70 PolarHBondContact O-N 3.41Å; F68-A71 PolarHBondContact O-N 2.94Å; F68-Y72 HydrophobicContact CD1-CD2 4.35Å; F68-Y72 HydrophobicContact CD1-CE2 4.34Å; F68-Y72 HydrophobicContact CE1-CD2 4.42Å; F68-Y72 HydrophobicContact CE1-CE2 4.13Å; F68-Y72 HydrophobicContact CZ-CE2 4.5Å; F68-L81 HydrophobicContact CD1-CD2 4.48Å; F68-L81 HydrophobicContact CE1-CD2 3.95Å; F68-E234 HydrophobicContact CE2-CB 3.55Å; F68-E234 HydrophobicContact CE2-CG 4.2Å; F68-E234 WeakPolarHBondContact CE2-O 3.27Å; F68-E234 HydrophobicContact CZ-CB 3.7Å; F68-L235 HydrophobicContact CE1-CD2 3.54Å; F68-L235 HydrophobicContact CE1-CG 4.34Å; F68-L235 HydrophobicContact CZ-CD2 3.63Å; F68-L235 HydrophobicContact CZ-CG 4.03Å
69	S	68.9	Low	82.5	Confident	98 Å²	98	72.5 Å²	72.5	69%	0.685	39%	0.389	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.2	-14.3	-163.6	51.9	0	0	0	0	115.1	S67	S67-S69 PolarHBondContact OG-OG 2.97Å
70	S	78.3	Confident	83.4	Confident	85 Å²	85	66.6 Å²	66.6	59%	0.594	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	-131.5	5.8	176.4	60.9	0	0	0	0	113.9	F68 S196	F68-S70 PolarHBondContact O-N 3.41Å; S70-S196 WeakPolarHBondContact O-CB 3.31Å; S70-S196 PolarHBondContact O-OG 3.38Å
71	A	89	Confident	84.1	Confident	1 Å²	1	64.1 Å²	64.1	1%	0.008	36%	0.362	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76	-34.2	-178.6	0	0	0	0	0	112.2	F68 S196 R199	F68-A71 PolarHBondContact O-N 2.94Å; A71-S196 WeakPolarHBondContact O-CB 3.3Å; A71-S196 PolarHBondContact O-N 2.97Å; A71-S196 PolarHBondContact O-OG 2.96Å; A71-R199 HydrophobicContact CB-CB 4.37Å; A71-R199 HydrophobicContact CB-CG 4.16Å; A71-R199 VanDerWaalsContact CB-CZ 3.42Å; A71-R199 WeakPolarHBondContact O-CB 3.42Å
72	Y	92.6	Very high	83.7	Confident	9 Å²	9	63.2 Å²	63.2	4%	0.035	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	124.1	-176.5	-50	-79.6	0	0	0	108.6	F68 L81 I161 A194 V195 I231 E234	F68-Y72 HydrophobicContact CD1-CD2 4.35Å; F68-Y72 HydrophobicContact CD1-CE2 4.34Å; F68-Y72 HydrophobicContact CE1-CD2 4.42Å; F68-Y72 HydrophobicContact CE1-CE2 4.13Å; F68-Y72 HydrophobicContact CZ-CE2 4.5Å; Y72-L81 HydrophobicContact CD2-CD2 3.59Å; Y72-L81 HydrophobicContact CE2-CD2 4.06Å; Y72-L81 HydrophobicContact CG-CD2 3.88Å; Y72-I161 HydrophobicContact CD1-CG2 3.96Å; Y72-I161 HydrophobicContact CE1-CG2 4.11Å; Y72-A194 WeakPolarHBondContact CA-O 3.43Å; Y72-V195 HydrophobicContact CD1-CG2 4.07Å; Y72-V195 HydrophobicContact CE1-CG2 3.95Å; Y72-I231 HydrophobicContact CE1-CD1 4.36Å; Y72-I231 HydrophobicContact CE1-CG1 4.19Å; Y72-I231 WeakPolarHBondContact OH-CG1 3.44Å; Y72-E234 PolarHBondContact OH-OE2 3.44Å
73	F	91.6	Very high	82.9	Confident	63 Å²	63	64.7 Å²	64.7	28%	0.276	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	138.9	177.9	65.4	-89.3	0	0	0	110.4	I75 L177 Y193 A194	F73-I75 HydrophobicContact CE2-CD1 4Å; F73-L177 HydrophobicContact CE2-CD1 4.26Å; F73-Y193 CarbonylContact O-C 3.37Å; F73-Y193 VanDerWaalsContact O-CA 3.3Å; F73-Y193 WeakPolarHBondContact O-CA 3.41Å; F73-A194 HydrophobicContact CD1-CB 4.32Å; F73-A194 WeakPolarHBondContact CD1-O 3.37Å; F73-A194 HydrophobicContact CD2-CB 4.49Å; F73-A194 HydrophobicContact CE1-CB 3.65Å; F73-A194 HydrophobicContact CE2-CB 3.85Å; F73-A194 HydrophobicContact CZ-CB 3.4Å; F73-A194 PolarHBondContact N-O 3.45Å; F73-A194 PolarHBondContact O-N 2.96Å
74	P	93	Very high	82.7	Confident	32 Å²	32	70.1 Å²	70.1	21%	0.208	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.6	137.8	177	28.3	-35	0	0	0	110.3	K79 Y193	P74-K79 WeakPolarHBondContact CB-O 3.39Å; P74-K79 VanDerWaalsContact CG-O 3.29Å; P74-K79 WeakPolarHBondContact CG-O 3.48Å; P74-Y193 HydrophobicContact CB-CD1 4.23Å; P74-Y193 HydrophobicContact CB-CE1 4.09Å
75	I	91.6	Very high	83.2	Confident	9 Å²	9	68.1 Å²	68.1	5%	0.046	39%	0.386	C	S	.	.	S	Bend	trans	-72.7	-36.9	175.6	-60.7	-52.4	0	0	0	111.2	F73 L177 I180 Q181 A192 A194	F73-I75 HydrophobicContact CE2-CD1 4Å; I75-L177 HydrophobicContact CD1-CD1 3.35Å; I75-L177 HydrophobicContact CG2-CD1 4.35Å; I75-I180 HydrophobicContact CB-CG2 4.45Å; I75-I180 HydrophobicContact CG1-CG2 4.14Å; I75-I180 HydrophobicContact CG2-CB 4.29Å; I75-I180 HydrophobicContact CG2-CG2 3.9Å; I75-Q181 HydrophobicContact CG2-CB 4.31Å; I75-Q181 HydrophobicContact CG2-CG 3.37Å; I75-Q181 PolarHBondContact O-NE2 3.16Å; I75-A192 HydrophobicContact CB-CB 4.03Å; I75-A192 WeakPolarHBondContact CB-O 3.1Å; I75-A192 HydrophobicContact CG1-CB 3.95Å; I75-A192 WeakPolarHBondContact CG1-O 3.13Å; I75-A192 PolarHBondContact N-O 3.05Å; I75-A194 HydrophobicContact CD1-CB 3.45Å; I75-A194 VanDerWaalsContact CD1-CB 3.45Å
76	L	88	Confident	83.6	Confident	66 Å²	66	64.9 Å²	64.9	35%	0.346	38%	0.377	S	S	.	.	S	Bend	trans	-132.5	147.1	175.7	-65.4	177.3	0	0	0	110	Q181 G184 L185	L76-Q181 HydrophobicContact CD2-CB 4.2Å; L76-Q181 HydrophobicContact CD2-CG 4.13Å; L76-G184 VanDerWaalsContact CD1-CA 3.46Å; L76-L185 HydrophobicContact CD1-CD2 4.33Å; L76-L185 HydrophobicContact CD1-CG 4.24Å; L76-L185 HydrophobicContact CD2-CD2 4.43Å; L76-L185 HydrophobicContact CD2-CG 4.46Å
77	G	85.3	Confident	84.1	Confident	70 Å²	70	66.1 Å²	66.1	72%	0.722	38%	0.384	S	S	*	.	S	Bend	trans	71	-160.7	-178.4	0	0	0	0	0	113.2
78	N	82.9	Confident	85.1	Confident	159 Å²	159	63 Å²	63	85%	0.85	36%	0.362	S	S	*	.	S	Bend	trans	-133.7	40.4	-177.6	-166.2	27.1	0	0	0	111.6
79	K	83.8	Confident	86.1	Confident	122 Å²	122	61.3 Å²	61.3	53%	0.53	36%	0.355	S	S	.	.	P	Polyproline II helix	trans	-84.9	145.6	176	-67.4	-179	172.5	-178.7	0	110	P74 E191 Y193	P74-K79 WeakPolarHBondContact CB-O 3.39Å; P74-K79 VanDerWaalsContact CG-O 3.29Å; P74-K79 WeakPolarHBondContact CG-O 3.48Å; K79-E191 IonicContact NZ-OE1 3.67Å; K79-E191 PolarHBondContact NZ-OE1 3.37Å; K79-Y193 WeakPolarHBondContact CB-OH 3.43Å; K79-Y193 WeakPolarHBondContact O-CE1 3.4Å
80	T	83.8	Confident	87.6	Confident	109 Å²	109	56.8 Å²	56.8	67%	0.669	32%	0.324	S	S	*	.	P	Polyproline II helix	trans	-83.5	154.1	163.4	51.9	0	0	0	0	109.5	Y193	T80-Y193 VanDerWaalsContact C-CE1 3.45Å; T80-Y193 PolarHBondContact O-OH 3.3Å
81	L	82.4	Confident	88.5	Confident	16 Å²	16	52.9 Å²	52.9	8%	0.084	30%	0.296	C	S	.	.	P	Polyproline II helix	trans	-56.6	133.4	173.6	-169.8	71	0	0	0	108.7	F68 Y72 V159 I161 Y193 L235	F68-L81 HydrophobicContact CD1-CD2 4.48Å; F68-L81 HydrophobicContact CE1-CD2 3.95Å; Y72-L81 HydrophobicContact CD2-CD2 3.59Å; Y72-L81 HydrophobicContact CE2-CD2 4.06Å; Y72-L81 HydrophobicContact CG-CD2 3.88Å; L81-V159 HydrophobicContact CD1-CG1 3.65Å; L81-I161 HydrophobicContact CD1-CD1 4.01Å; L81-I161 HydrophobicContact CD1-CG1 3.97Å; L81-I161 HydrophobicContact CD2-CD1 3.92Å; L81-Y193 HydrophobicContact CB-CD1 4.17Å; L81-Y193 HydrophobicContact CB-CE1 4.08Å; L81-Y193 HydrophobicContact CD1-CD1 4.12Å; L81-Y193 HydrophobicContact CD1-CD2 3.38Å; L81-Y193 HydrophobicContact CD1-CE1 4.35Å; L81-Y193 HydrophobicContact CD1-CE2 3.69Å; L81-Y193 HydrophobicContact CD1-CG 3.63Å; L81-L235 HydrophobicContact CD2-CD2 4.26Å
82	P	73.2	Confident	89	Confident	45 Å²	45	53.2 Å²	53.2	29%	0.292	30%	0.298	S	S	.	.			trans	-65	174.4	-170.8	20.2	-28.4	0	0	0	114.1	F133 V159	P82-F133 HydrophobicContact CG-CE1 4.39Å; P82-V159 HydrophobicContact CG-CG1 4.48Å; P82-V159 HydrophobicContact CG-CG2 3.83Å
83	S	67.9	Low	89.3	Confident	103 Å²	103	53.4 Å²	53.4	72%	0.72	30%	0.3	S	S	*	.	P	Polyproline II helix	trans	-61.5	158.2	-170.2	49.7	0	0	0	0	114.8
84	R	80.4	Confident	89.6	Confident	114 Å²	114	50.6 Å²	50.6	43%	0.43	29%	0.289	S	S	.	.	P	Polyproline II helix	trans	-64.3	149.6	178.3	-64.8	-179.1	178.4	-142.2	-1.8	111.8	K64 L235	K64-R84 PolarHBondContact O-NH2 2.88Å; R84-L235 CarbonylContact C-O 3.58Å; R84-L235 WeakPolarHBondContact CA-O 3.45Å; R84-L235 WeakPolarHBondContact CB-O 3.35Å
85	C	92	Very high	89.8	Confident	5 Å²	5	49.2 Å²	49.2	3%	0.034	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	154.1	171.8	-44.3	0	0	0	0	109.7	E110 C111 L235 C236 D237	C85-E110 VanDerWaalsContact CA-OE1 3.31Å; C85-E110 WeakPolarHBondContact CA-OE1 3.24Å; C85-E110 HydrophobicContact CB-CG 4.35Å; C85-C111 HydrophobicContact CB-CB 3.66Å; C85-C111 WeakPolarHBondContact CB-SG 3.46Å; C85-C111 WeakPolarHBondContact SG-CB 3.27Å; C85-C111 CovalentContact SG-SG 2.02Å; C85-C111 PolarHBondContact SG-SG 2.95Å; C85-L235 PolarHBondContact N-O 3.41Å; C85-C236 VanDerWaalsContact O-CA 3.22Å; C85-C236 WeakPolarHBondContact O-CA 3.33Å; C85-D237 PolarHBondContact O-N 2.88Å
86	N	93.1	Very high	90.1	Very high	107 Å²	107	50.4 Å²	50.4	57%	0.572	29%	0.285	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-73.7	-47.8	171.4	-61.9	-45.9	0	0	0	110.1	E110 D237 H238	N86-E110 WeakPolarHBondContact CA-OE2 3.19Å; N86-E110 WeakPolarHBondContact CB-OE2 3.46Å; N86-E110 VanDerWaalsContact N-CD 3.33Å; N86-E110 PolarHBondContact N-OE1 3.37Å; N86-E110 PolarHBondContact N-OE2 3.26Å; N86-D237 WeakPolarHBondContact O-CB 3.32Å; N86-D237 PolarHBondContact O-N 3.08Å; N86-D237 VanDerWaalsContact O-N 3.16Å; N86-H238 PolarHBondContact O-N 3.41Å
87	Q	95.2	Very high	90.5	Very high	66 Å²	66	47.3 Å²	47.3	31%	0.308	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	128.5	179.2	-179.3	70.7	54.1	0	0	111.2	E110 C111 H238	Q87-E110 PolarHBondContact N-OE2 3.27Å; Q87-C111 PolarHBondContact O-N 3.31Å; Q87-H238 PolarHBondContact NE2-O 3.17Å
88	C	97.4	Very high	91.1	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	146.7	166.8	-72.9	0	0	0	0	112	C111 I113 C236 H238 V239 H240	C88-C111 WeakPolarHBondContact CA-O 3.42Å; C88-C111 WeakPolarHBondContact SG-CB 3.35Å; C88-I113 HydrophobicContact CB-CD1 3.95Å; C88-I113 HydrophobicContact CB-CG1 4.41Å; C88-C236 HydrophobicContact CB-CB 3.49Å; C88-C236 VanDerWaalsContact CB-CB 3.49Å; C88-C236 WeakPolarHBondContact CB-SG 3.48Å; C88-C236 WeakPolarHBondContact SG-CB 3.33Å; C88-C236 CovalentContact SG-SG 1.99Å; C88-C236 PolarHBondContact SG-SG 2.96Å; C88-H238 PolarHBondContact N-O 2.94Å; C88-V239 CarbonylContact O-C 3.18Å; C88-V239 WeakPolarHBondContact O-CA 3.22Å; C88-H240 PolarHBondContact O-N 3.09Å
89	V	98.5	Very high	91.9	Very high	8 Å²	8	42.8 Å²	42.8	5%	0.048	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	119.5	167.7	171.3	0	0	0	0	108.2	I91 A109 C111 T112 I113 H240 Y242	V89-I91 HydrophobicContact CG1-CD1 3.84Å; V89-I91 HydrophobicContact CG1-CG1 4.06Å; V89-A109 HydrophobicContact CB-CB 4.03Å; V89-A109 HydrophobicContact CG2-CB 3.57Å; V89-C111 PolarHBondContact N-O 2.89Å; V89-T112 CarbonylContact O-C 3.53Å; V89-T112 WeakPolarHBondContact O-CA 3.36Å; V89-I113 PolarHBondContact O-N 2.86Å; V89-H240 CarbonylContact C-O 3.56Å; V89-H240 WeakPolarHBondContact CA-O 3.33Å; V89-H240 HydrophobicContact CG2-CB 4.35Å; V89-Y242 HydrophobicContact CB-CE2 4.41Å; V89-Y242 HydrophobicContact CG1-CD2 3.34Å; V89-Y242 HydrophobicContact CG1-CE2 3.29Å; V89-Y242 HydrophobicContact CG2-CE2 4.23Å
90	I	98.9	Very high	92.5	Very high	4 Å²	4	38.7 Å²	38.7	2%	0.021	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	122.6	167.1	-62.5	169	0	0	0	108.1	T92 I113 M115 T228 M229 A232 V239 H240 V241 Y242	I90-T92 HydrophobicContact CG2-CG2 4.46Å; I90-I113 WeakPolarHBondContact CA-O 3.31Å; I90-I113 HydrophobicContact CG1-CB 4.16Å; I90-I113 HydrophobicContact CG1-CD1 4.35Å; I90-M115 HydrophobicContact CG2-CE 4.44Å; I90-T228 HydrophobicContact CD1-CG2 4.16Å; I90-T228 HydrophobicContact CG1-CG2 4.26Å; I90-T228 HydrophobicContact CG2-CG2 4.21Å; I90-M229 HydrophobicContact CD1-CE 4.34Å; I90-M229 HydrophobicContact CD1-SD 4.21Å; I90-A232 HydrophobicContact CD1-CB 3.71Å; I90-A232 HydrophobicContact CG1-CB 4.21Å; I90-V239 HydrophobicContact CD1-CG1 3.66Å; I90-V239 HydrophobicContact CG1-CG1 4.07Å; I90-H240 PolarHBondContact N-O 2.9Å; I90-V241 HydrophobicContact CB-CG1 4.36Å; I90-V241 HydrophobicContact CB-CG2 4.28Å; I90-V241 HydrophobicContact CD1-CG2 4.15Å; I90-V241 HydrophobicContact CG2-CG1 4.4Å; I90-V241 WeakPolarHBondContact O-CA 3.42Å; I90-Y242 PolarHBondContact O-N 2.68Å
91	I	98.8	Very high	93.2	Very high	2 Å²	2	41.1 Å²	41.1	1%	0.01	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103	108.9	170.3	-51.5	88	0	0	0	106.8	V89 L97 I106 T112 I113 R114 V127	V89-I91 HydrophobicContact CG1-CD1 3.84Å; V89-I91 HydrophobicContact CG1-CG1 4.06Å; I91-L97 HydrophobicContact CG2-CD1 3.59Å; I91-I106 HydrophobicContact CD1-CG2 3.92Å; I91-I106 HydrophobicContact CG1-CD1 4.02Å; I91-I106 HydrophobicContact CG1-CG1 4.36Å; I91-I106 HydrophobicContact CG1-CG2 4.08Å; I91-T112 HydrophobicContact CD1-CG2 4.18Å; I91-I113 PolarHBondContact N-O 2.89Å; I91-R114 HydrophobicContact CB-CG 4.47Å; I91-R114 HydrophobicContact CD1-CG 4.33Å; I91-V127 HydrophobicContact CG2-CB 4.16Å; I91-V127 HydrophobicContact CG2-CG1 4.45Å
92	T	98.6	Very high	94	Very high	8 Å²	8	40.8 Å²	40.8	5%	0.049	23%	0.226	C	C	.	.			trans	-72.9	179.3	177.8	77	0	0	0	0	111.2	I90 S94 L97 M115 V241 Y242 G243 M244	I90-T92 HydrophobicContact CG2-CG2 4.46Å; T92-S94 PolarHBondContact OG1-N 3.01Å; T92-S94 VanDerWaalsContact OG1-N 3.12Å; T92-L97 VanDerWaalsContact O-CD1 3.27Å; T92-L97 WeakPolarHBondContact O-CD1 3.17Å; T92-M115 HydrophobicContact CG2-CE 4.23Å; T92-V241 HydrophobicContact CG2-CG1 3.97Å; T92-Y242 VanDerWaalsContact CG2-O 3.32Å; T92-Y242 WeakPolarHBondContact CG2-O 3.48Å; T92-Y242 PolarHBondContact N-O 2.66Å; T92-Y242 PolarHBondContact OG1-O 3.33Å; T92-G243 PolarHBondContact OG1-O 3.5Å; T92-M244 HydrophobicContact CG2-CB 4.06Å; T92-M244 HydrophobicContact CG2-CE 3.75Å
93	S	98.4	Very high	95.2	Very high	13 Å²	13	38.7 Å²	38.7	9%	0.091	21%	0.213	C	C	.	.	S	Bend	trans	-88.3	2.3	173.1	-57.3	0	0	0	0	114.2	A118 H262 Y263	S93-A118 WeakPolarHBondContact OG-CB 3.16Å; S93-H262 WeakPolarHBondContact CB-CD2 3.43Å; S93-H262 CarbonylContact O-C 3.56Å; S93-H262 WeakPolarHBondContact O-CA 3.22Å; S93-Y263 VanDerWaalsContact C-CD1 3.49Å; S93-Y263 VanDerWaalsContact O-CD1 3.22Å; S93-Y263 WeakPolarHBondContact O-CD1 3.24Å; S93-Y263 PolarHBondContact O-N 2.8Å
94	S	98.1	Very high	96.7	Very high	4 Å²	4	37.6 Å²	37.6	3%	0.028	20%	0.204	C	C	.	.			trans	-68.1	146.9	-169.1	-177.8	0	0	0	0	113.6	T92 H96 L97 G243 E271	T92-S94 PolarHBondContact OG1-N 3.01Å; T92-S94 VanDerWaalsContact OG1-N 3.12Å; S94-H96 PolarHBondContact O-N 2.91Å; S94-H96 PolarHBondContact OG-CD2 1.99Å; S94-H96 VanDerWaalsContact OG-CD2 3.26Å; S94-H96 PolarHBondContact OG-N 2.93Å; S94-L97 PolarHBondContact O-N 2.72Å; S94-G243 WeakPolarHBondContact CB-O 3.37Å; S94-E271 PolarHBondContact OG-OE1 3.33Å
95	S	97.6	Very high	97.5	Very high	4 Å²	4	36.3 Å²	36.3	3%	0.028	20%	0.203	C	C	.	.	G	3₁₀ helix	trans	-66.3	-13.3	174.5	62	0	0	0	0	114.6	L97 L98 P260	S95-L97 PolarHBondContact O-N 2.58Å; S95-L97 VanDerWaalsContact O-N 3.1Å; S95-L98 WeakPolarHBondContact O-CB 3.11Å; S95-L98 WeakPolarHBondContact O-CG 3.26Å; S95-L98 PolarHBondContact O-N 2.96Å; S95-P260 WeakPolarHBondContact CB-O 3.04Å; S95-P260 PolarHBondContact OG-O 3.27Å
96	H	96.9	Very high	97.8	Very high	34 Å²	34	36.1 Å²	36.1	16%	0.157	20%	0.201	C	C	.	.	G	3₁₀ helix	trans	-60.7	-16.6	172.8	-76.4	-105	0	0	0	113.7	S94 L98 T100 V245 Y249 E271 H309	S94-H96 PolarHBondContact O-N 2.91Å; S94-H96 PolarHBondContact OG-CD2 1.99Å; S94-H96 VanDerWaalsContact OG-CD2 3.26Å; S94-H96 PolarHBondContact OG-N 2.93Å; H96-L98 VanDerWaalsContact C-N 3.33Å; H96-T100 VanDerWaalsContact O-CG2 3.22Å; H96-T100 WeakPolarHBondContact O-CG2 3.48Å; H96-V245 WeakPolarHBondContact NE2-CG1 3.19Å; H96-Y249 AromaticContact CE1-CZ 3.45Å; H96-Y249 VanDerWaalsContact CE1-CZ 3.45Å; H96-Y249 PolarHBondContact CE1-OH 3.45Å; H96-Y249 AromaticContact NE2-CE1 3.83Å; H96-Y249 AromaticContact NE2-CZ 3.61Å; H96-Y249 PolarHBondContact NE2-OH 2.96Å; H96-E271 IonicContact CD2-OE1 3.75Å; H96-E271 IonicContact CD2-OE2 2.58Å; H96-E271 IonicContact NE2-OE1 3.13Å; H96-E271 IonicContact NE2-OE2 3.27Å; H96-E271 PolarHBondContact NE2-OE2 2.98Å; H96-H309 WeakPolarHBondContact CB-O 3.39Å
97	L	98.4	Very high	97.9	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	19%	0.191	C	C	.	.	G	3₁₀ helix	trans	-75.3	-20.8	174.8	-62.9	175.6	0	0	0	113.1	I91 T92 S94 S95 G99 T100 L102 D126 V127 Y263	I91-L97 HydrophobicContact CG2-CD1 3.59Å; T92-L97 VanDerWaalsContact O-CD1 3.27Å; T92-L97 WeakPolarHBondContact O-CD1 3.17Å; S94-L97 PolarHBondContact O-N 2.72Å; S95-L97 PolarHBondContact O-N 2.58Å; S95-L97 VanDerWaalsContact O-N 3.1Å; L97-G99 PolarHBondContact O-N 2.88Å; L97-T100 WeakPolarHBondContact O-CB 3.47Å; L97-T100 VanDerWaalsContact O-CG2 3.27Å; L97-T100 WeakPolarHBondContact O-CG2 3.14Å; L97-T100 PolarHBondContact O-N 3.21Å; L97-T100 PolarHBondContact O-OG1 3.01Å; L97-L102 HydrophobicContact CD2-CD1 4.41Å; L97-D126 VanDerWaalsContact O-CB 3.28Å; L97-D126 WeakPolarHBondContact O-CB 3.44Å; L97-V127 HydrophobicContact CB-CG1 3.98Å; L97-V127 HydrophobicContact CD1-CG1 3.89Å; L97-Y263 HydrophobicContact CD1-CD1 4.12Å; L97-Y263 HydrophobicContact CD1-CE1 4.27Å
98	L	97.9	Very high	98	Very high	76 Å²	76	40.2 Å²	40.2	40%	0.398	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.9	128.7	-176.9	-66.9	172.9	0	0	0	111.5	S95 H96 T100 Y123	S95-L98 WeakPolarHBondContact O-CB 3.11Å; S95-L98 WeakPolarHBondContact O-CG 3.26Å; S95-L98 PolarHBondContact O-N 2.96Å; H96-L98 VanDerWaalsContact C-N 3.33Å; L98-T100 VanDerWaalsContact C-N 3.26Å; L98-T100 PolarHBondContact O-N 3.06Å; L98-Y123 HydrophobicContact CD2-CD1 3.8Å; L98-Y123 HydrophobicContact CD2-CE1 3.94Å
99	G	97.8	Very high	98	Very high	59 Å²	59	40.8 Å²	40.8	61%	0.608	21%	0.214	S	C	*	.	T	Hydrogen-bonded Turn	trans	76.5	2.6	179.7	0	0	0	0	0	115.4	L97 K101 D126	L97-G99 PolarHBondContact O-N 2.88Å; G99-K101 VanDerWaalsContact C-N 3.3Å; G99-K101 PolarHBondContact O-N 2.89Å; G99-D126 VanDerWaalsContact C-OD1 3.3Å; G99-D126 VanDerWaalsContact CA-OD1 3.32Å; G99-D126 WeakPolarHBondContact CA-OD1 3.33Å; G99-D126 PolarHBondContact N-OD1 3.19Å; G99-D126 VanDerWaalsContact N-OD1 3.15Å; G99-D126 PolarHBondContact N-OD2 2.84Å
100	T	98.3	Very high	97.8	Very high	36 Å²	36	44.5 Å²	44.5	22%	0.221	23%	0.231	C	C	.	.			trans	-72.8	-22	-179.6	60.4	0	0	0	0	113.5	H96 L97 L98 L102 D126 H309	H96-T100 VanDerWaalsContact O-CG2 3.22Å; H96-T100 WeakPolarHBondContact O-CG2 3.48Å; L97-T100 WeakPolarHBondContact O-CB 3.47Å; L97-T100 VanDerWaalsContact O-CG2 3.27Å; L97-T100 WeakPolarHBondContact O-CG2 3.14Å; L97-T100 PolarHBondContact O-N 3.21Å; L97-T100 PolarHBondContact O-OG1 3.01Å; L98-T100 VanDerWaalsContact C-N 3.26Å; L98-T100 PolarHBondContact O-N 3.06Å; T100-L102 HydrophobicContact CG2-CD1 4.36Å; T100-L102 PolarHBondContact O-N 3.26Å; T100-L102 WeakPolarHBondContact OG1-CD1 3.49Å; T100-D126 PolarHBondContact N-OD1 3.44Å; T100-D126 VanDerWaalsContact N-OD1 3.1Å; T100-H309 HydrophobicContact CG2-CB 4.27Å
101	K	98.3	Very high	97.8	Very high	160 Å²	160	44.8 Å²	44.8	70%	0.696	23%	0.233	S	C	*	.			trans	55.9	28	-177	-56.3	-176.3	-178.1	178.9	0	114.5	G99 G103 P104 A125 D126	G99-K101 VanDerWaalsContact C-N 3.3Å; G99-K101 PolarHBondContact O-N 2.89Å; K101-G103 PolarHBondContact O-N 3.43Å; K101-P104 WeakPolarHBondContact O-CD 3.31Å; K101-A125 CarbonylContact C-O 3.55Å; K101-A125 WeakPolarHBondContact CA-O 3.02Å; K101-D126 PolarHBondContact N-OD1 2.77Å
102	L	98.4	Very high	97.7	Very high	8 Å²	8	44.7 Å²	44.7	4%	0.042	23%	0.233	C	C	.	.			trans	-73.2	-6.1	-179.4	-67.9	164	0	0	0	113.8	L97 T100 E105 I106 D126 Y242 H309	L97-L102 HydrophobicContact CD2-CD1 4.41Å; T100-L102 HydrophobicContact CG2-CD1 4.36Å; T100-L102 PolarHBondContact O-N 3.26Å; T100-L102 WeakPolarHBondContact OG1-CD1 3.49Å; L102-E105 WeakPolarHBondContact O-CA 3.1Å; L102-E105 WeakPolarHBondContact O-CB 3.36Å; L102-E105 PolarHBondContact O-N 2.91Å; L102-I106 HydrophobicContact CB-CD1 3.81Å; L102-I106 HydrophobicContact CB-CG1 4.29Å; L102-I106 WeakPolarHBondContact O-CG1 3.43Å; L102-I106 PolarHBondContact O-N 2.97Å; L102-D126 WeakPolarHBondContact CB-O 3.49Å; L102-D126 PolarHBondContact N-O 2.86Å; L102-Y242 HydrophobicContact CD1-CD1 3.52Å; L102-Y242 HydrophobicContact CD1-CE1 3.92Å; L102-Y242 HydrophobicContact CD1-CG 4.06Å; L102-Y242 HydrophobicContact CD2-CD1 4.41Å; L102-Y242 HydrophobicContact CD2-CE1 3.94Å; L102-H309 HydrophobicContact CD1-CB 4.35Å
103	G	98.4	Very high	97.7	Very high	2 Å²	2	44.3 Å²	44.3	2%	0.021	23%	0.23	C	C	.	.	H	α-helix	trans	-47.2	-54.9	-175.6	0	0	0	0	0	114.1	K101 E105 I106 E107 S124 A125 D126	K101-G103 PolarHBondContact O-N 3.43Å; G103-E105 VanDerWaalsContact C-N 3.27Å; G103-E105 PolarHBondContact O-N 2.8Å; G103-I106 PolarHBondContact O-N 2.94Å; G103-E107 WeakPolarHBondContact O-CG 3.24Å; G103-E107 PolarHBondContact O-N 3.43Å; G103-S124 WeakPolarHBondContact CA-O 3.03Å; G103-A125 WeakPolarHBondContact CA-O 3.32Å; G103-A125 PolarHBondContact N-O 3.37Å; G103-D126 PolarHBondContact N-O 3.03Å
104	P	98.4	Very high	97.7	Very high	80 Å²	80	43.7 Å²	43.7	52%	0.519	23%	0.226	S	C	.	.	H	α-helix	trans	-61.6	-30.7	178.6	-24.8	35.5	0	0	0	114.6	K101 R108	K101-P104 WeakPolarHBondContact O-CD 3.31Å; P104-R108 PolarHBondContact O-NH1 3.44Å
105	E	97.4	Very high	97.8	Very high	87 Å²	87	44.2 Å²	44.2	41%	0.407	23%	0.228	S	C	.	.	H	α-helix	trans	-71.4	-45.8	175.7	-176.1	177.7	153.8	0	0	111.1	L102 G103 E107 R108 Y242	L102-E105 WeakPolarHBondContact O-CA 3.1Å; L102-E105 WeakPolarHBondContact O-CB 3.36Å; L102-E105 PolarHBondContact O-N 2.91Å; G103-E105 VanDerWaalsContact C-N 3.27Å; G103-E105 PolarHBondContact O-N 2.8Å; E105-E107 VanDerWaalsContact C-N 3.3Å; E105-E107 PolarHBondContact O-N 3.49Å; E105-R108 PolarHBondContact O-N 3Å; E105-R108 VanDerWaalsContact O-N 3.1Å; E105-Y242 PolarHBondContact OE1-OH 2.92Å
106	I	97.9	Very high	97.8	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-61.4	-38	177.5	-67.7	163.2	0	0	0	111.4	I91 L102 G103 R108 A109 T112 V127 Y242	I91-I106 HydrophobicContact CD1-CG2 3.92Å; I91-I106 HydrophobicContact CG1-CD1 4.02Å; I91-I106 HydrophobicContact CG1-CG1 4.36Å; I91-I106 HydrophobicContact CG1-CG2 4.08Å; L102-I106 HydrophobicContact CB-CD1 3.81Å; L102-I106 HydrophobicContact CB-CG1 4.29Å; L102-I106 WeakPolarHBondContact O-CG1 3.43Å; L102-I106 PolarHBondContact O-N 2.97Å; G103-I106 PolarHBondContact O-N 2.94Å; I106-R108 PolarHBondContact O-N 3.21Å; I106-A109 VanDerWaalsContact O-CB 3.31Å; I106-A109 WeakPolarHBondContact O-CB 3.25Å; I106-A109 PolarHBondContact O-N 3.31Å; I106-A109 VanDerWaalsContact O-N 3.13Å; I106-T112 HydrophobicContact CG2-CG2 3.88Å; I106-V127 WeakPolarHBondContact CD1-O 3.02Å; I106-Y242 HydrophobicContact CD1-CD2 4.47Å; I106-Y242 HydrophobicContact CG1-CD2 4.25Å; I106-Y242 HydrophobicContact CG1-CE2 4.1Å
107	E	97	Very high	97.9	Very high	78 Å²	78	44.7 Å²	44.7	36%	0.364	23%	0.231	S	C	.	.	H	α-helix	trans	-59.8	-29.9	176.4	-72.4	-56.3	131.7	0	0	113.2	G103 E105 N129 K130	G103-E107 WeakPolarHBondContact O-CG 3.24Å; G103-E107 PolarHBondContact O-N 3.43Å; E105-E107 VanDerWaalsContact C-N 3.3Å; E105-E107 PolarHBondContact O-N 3.49Å; E107-N129 WeakPolarHBondContact OE1-CA 3.28Å; E107-N129 PolarHBondContact OE1-N 3.04Å; E107-K130 PolarHBondContact OE1-N 2.91Å
108	R	97.1	Very high	97.9	Very high	181 Å²	181	44.7 Å²	44.7	68%	0.683	23%	0.232	S	C	*	.	H	α-helix	trans	-83.5	-12.6	179.1	-66.7	-173	-63.5	-91.4	3.7	113.7	P104 E105 I106	P104-R108 PolarHBondContact O-NH1 3.44Å; E105-R108 PolarHBondContact O-N 3Å; E105-R108 VanDerWaalsContact O-N 3.1Å; I106-R108 PolarHBondContact O-N 3.21Å
109	A	96.2	Very high	97.9	Very high	13 Å²	13	42.1 Å²	42.1	11%	0.107	22%	0.22	C	C	.	.			trans	-62.3	139.9	178.7	0	0	0	0	0	110.4	V89 I106 T112 K130	V89-A109 HydrophobicContact CB-CB 4.03Å; V89-A109 HydrophobicContact CG2-CB 3.57Å; I106-A109 VanDerWaalsContact O-CB 3.31Å; I106-A109 WeakPolarHBondContact O-CB 3.25Å; I106-A109 PolarHBondContact O-N 3.31Å; I106-A109 VanDerWaalsContact O-N 3.13Å; A109-T112 HydrophobicContact CB-CG2 3.95Å; A109-K130 WeakPolarHBondContact O-CE 3.34Å; A109-K130 PolarHBondContact O-NZ 2.92Å
110	E	95.6	Very high	98	Very high	85 Å²	85	39.4 Å²	39.4	40%	0.397	19%	0.191	S	C	.	.	S	Bend	trans	-56.7	-59.4	176.9	-179.6	-171.9	171.8	0	0	110.4	C85 N86 Q87 K130	C85-E110 VanDerWaalsContact CA-OE1 3.31Å; C85-E110 WeakPolarHBondContact CA-OE1 3.24Å; C85-E110 HydrophobicContact CB-CG 4.35Å; N86-E110 WeakPolarHBondContact CA-OE2 3.19Å; N86-E110 WeakPolarHBondContact CB-OE2 3.46Å; N86-E110 VanDerWaalsContact N-CD 3.33Å; N86-E110 PolarHBondContact N-OE1 3.37Å; N86-E110 PolarHBondContact N-OE2 3.26Å; Q87-E110 PolarHBondContact N-OE2 3.27Å; E110-K130 WeakPolarHBondContact O-CE 3.32Å; E110-K130 PolarHBondContact O-NZ 3.13Å
111	C	97.4	Very high	98	Very high	10 Å²	10	40.4 Å²	40.4	7%	0.068	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	132.4	177.4	-69	0	0	0	0	111.8	C85 Q87 C88 V89 T132 F133	C85-C111 HydrophobicContact CB-CB 3.66Å; C85-C111 WeakPolarHBondContact CB-SG 3.46Å; C85-C111 WeakPolarHBondContact SG-CB 3.27Å; C85-C111 CovalentContact SG-SG 2.02Å; C85-C111 PolarHBondContact SG-SG 2.95Å; Q87-C111 PolarHBondContact O-N 3.31Å; C88-C111 WeakPolarHBondContact CA-O 3.42Å; C88-C111 WeakPolarHBondContact SG-CB 3.35Å; V89-C111 PolarHBondContact N-O 2.89Å; C111-T132 WeakPolarHBondContact CA-OG1 3.49Å; C111-T132 HydrophobicContact CB-CG2 4.33Å; C111-F133 HydrophobicContact CB-CE2 4.22Å
112	T	98	Very high	97.9	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	129.3	176.7	51.4	0	0	0	0	109.8	V89 I91 I106 A109 K130 T131 T132 F133	V89-T112 CarbonylContact O-C 3.53Å; V89-T112 WeakPolarHBondContact O-CA 3.36Å; I91-T112 HydrophobicContact CD1-CG2 4.18Å; I106-T112 HydrophobicContact CG2-CG2 3.88Å; A109-T112 HydrophobicContact CB-CG2 3.95Å; T112-K130 HydrophobicContact CG2-CB 4.31Å; T112-K130 HydrophobicContact CG2-CD 4.27Å; T112-K130 HydrophobicContact CG2-CG 4.23Å; T112-K130 PolarHBondContact OG1-O 2.84Å; T112-K130 VanDerWaalsContact OG1-O 3.09Å; T112-T131 WeakPolarHBondContact OG1-CA 3.27Å; T112-T131 PolarHBondContact OG1-N 2.57Å; T112-T132 PolarHBondContact N-OG1 2.58Å; T112-T132 VanDerWaalsContact N-OG1 3.09Å; T112-T132 WeakPolarHBondContact O-CA 3.33Å; T112-T132 WeakPolarHBondContact O-CB 3.5Å; T112-T132 PolarHBondContact O-N 2.76Å; T112-T132 PolarHBondContact OG1-N 3.48Å; T112-T132 PolarHBondContact OG1-OG1 2.84Å; T112-F133 PolarHBondContact O-N 2.91Å
113	I	98.8	Very high	97.9	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	123.2	-178.7	-48.7	-180	0	0	0	108.9	C88 V89 I90 I91 F133 V135 T228 A232	C88-I113 HydrophobicContact CB-CD1 3.95Å; C88-I113 HydrophobicContact CB-CG1 4.41Å; V89-I113 PolarHBondContact O-N 2.86Å; I90-I113 WeakPolarHBondContact CA-O 3.31Å; I90-I113 HydrophobicContact CG1-CB 4.16Å; I90-I113 HydrophobicContact CG1-CD1 4.35Å; I91-I113 PolarHBondContact N-O 2.89Å; I113-F133 WeakPolarHBondContact CA-O 3.48Å; I113-F133 HydrophobicContact CG1-CB 4.23Å; I113-F133 HydrophobicContact CG1-CD2 4.17Å; I113-F133 HydrophobicContact CG2-CB 4.27Å; I113-V135 HydrophobicContact CG2-CG2 4.12Å; I113-T228 HydrophobicContact CG2-CG2 3.58Å; I113-A232 HydrophobicContact CD1-CB 3.65Å
114	R	98.8	Very high	97.9	Very high	1 Å²	1	41 Å²	41	0%	0.004	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	163	176.6	-61.2	-172.7	-167.5	-91.1	-5.5	111.2	I91 V127 G128 K130 T131 F133 R134 V135	I91-R114 HydrophobicContact CB-CG 4.47Å; I91-R114 HydrophobicContact CD1-CG 4.33Å; R114-V127 PolarHBondContact NH1-O 3.32Å; R114-V127 PolarHBondContact NH2-O 3.25Å; R114-G128 PolarHBondContact NH2-O 2.89Å; R114-K130 PolarHBondContact NE-O 3.48Å; R114-K130 VanDerWaalsContact NE-O 3.12Å; R114-K130 PolarHBondContact NH2-O 3.37Å; R114-T131 HydrophobicContact CB-CG2 4.16Å; R114-T131 VanDerWaalsContact CD-OG1 3.26Å; R114-T131 WeakPolarHBondContact CD-OG1 3.27Å; R114-T131 HydrophobicContact CG-CG2 4.14Å; R114-T131 PolarHBondContact NE-OG1 2.67Å; R114-T131 VanDerWaalsContact NE-OG1 3.09Å; R114-F133 PolarHBondContact N-O 3.22Å; R114-R134 CarbonylContact O-C 3.46Å; R114-R134 WeakPolarHBondContact O-CA 3.27Å; R114-V135 PolarHBondContact O-N 3.4Å
115	M	98.8	Very high	97.9	Very high	14 Å²	14	40.1 Å²	40.1	7%	0.069	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	142.7	-176.3	-66.1	178.9	-81.5	0	0	112.3	I90 T92 D117 A118 V135 T224 T228	I90-M115 HydrophobicContact CG2-CE 4.44Å; T92-M115 HydrophobicContact CG2-CE 4.23Å; M115-D117 PolarHBondContact O-N 3.1Å; M115-A118 WeakPolarHBondContact O-CB 3.48Å; M115-A118 PolarHBondContact O-N 2.92Å; M115-V135 CarbonylContact C-O 3.48Å; M115-V135 WeakPolarHBondContact CA-O 3.3Å; M115-T224 HydrophobicContact CB-CG2 3.96Å; M115-T224 HydrophobicContact CG-CG2 3.89Å; M115-T224 HydrophobicContact SD-CG2 4.06Å; M115-T228 HydrophobicContact CG-CG2 4.05Å; M115-T228 VanDerWaalsContact CG-OG1 3.28Å; M115-T228 WeakPolarHBondContact CG-OG1 3.2Å; M115-T228 HydrophobicContact SD-CG2 4.2Å; M115-T228 PolarHBondContact SD-OG1 3.36Å; M115-T228 VanDerWaalsContact SD-OG1 3.39Å
116	N	98.7	Very high	98	Very high	25 Å²	25	37 Å²	37	13%	0.134	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	49.9	-133.4	167.1	-63.4	-49.1	0	0	0	112.6	R134 V135 A137 S140 V144 T224	N116-R134 PolarHBondContact O-NH1 3.26Å; N116-V135 PolarHBondContact N-O 3.24Å; N116-A137 WeakPolarHBondContact OD1-CB 3.41Å; N116-A137 PolarHBondContact OD1-N 2.69Å; N116-S140 VanDerWaalsContact CG-OG 3.27Å; N116-S140 WeakPolarHBondContact OD1-CB 3.47Å; N116-S140 PolarHBondContact OD1-OG 2.89Å; N116-V144 VanDerWaalsContact O-CG2 3.27Å; N116-V144 WeakPolarHBondContact O-CG2 3.19Å; N116-T224 WeakPolarHBondContact ND2-CB 3.45Å; N116-T224 PolarHBondContact ND2-OG1 3.47Å
117	D	98.4	Very high	98	Very high	23 Å²	23	37.1 Å²	37.1	12%	0.123	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.3	27.4	-178.5	56.4	-56.3	0	0	0	113.3	M115 P119 R143 V144 F151	M115-D117 PolarHBondContact O-N 3.1Å; D117-P119 VanDerWaalsContact O-CD 3.24Å; D117-P119 WeakPolarHBondContact O-CD 3.37Å; D117-R143 HydrophobicContact CB-CB 3.87Å; D117-R143 IonicContact OD1-CZ 2.7Å; D117-R143 IonicContact OD1-NE 2.63Å; D117-R143 PolarHBondContact OD1-NE 2.77Å; D117-R143 IonicContact OD1-NH2 3.18Å; D117-R143 PolarHBondContact OD1-NH2 2.84Å; D117-R143 VanDerWaalsContact OD2-CD 3.31Å; D117-R143 WeakPolarHBondContact OD2-CD 3.19Å; D117-R143 IonicContact OD2-CZ 3.51Å; D117-R143 IonicContact OD2-NE 3.02Å; D117-R143 PolarHBondContact OD2-NE 3.2Å; D117-R143 IonicContact OD2-NH2 3.58Å; D117-V144 HydrophobicContact CB-CG2 4.12Å; D117-F151 HydrophobicContact CB-CE2 4.23Å; D117-F151 HydrophobicContact CB-CZ 3.87Å; D117-F151 VanDerWaalsContact O-CZ 3.27Å; D117-F151 WeakPolarHBondContact O-CZ 3.47Å
118	A	98.6	Very high	98.1	Very high	1 Å²	1	33.4 Å²	33.4	1%	0.008	20%	0.197	C	C	.	.			trans	-67.2	112.8	172.2	0	0	0	0	0	110.2	S93 M115 R134 Y263 Y264	S93-A118 WeakPolarHBondContact OG-CB 3.16Å; M115-A118 WeakPolarHBondContact O-CB 3.48Å; M115-A118 PolarHBondContact O-N 2.92Å; A118-R134 PolarHBondContact O-NH1 3.49Å; A118-R134 PolarHBondContact O-NH2 3.25Å; A118-Y263 HydrophobicContact CB-CE1 4.45Å; A118-Y263 WeakPolarHBondContact CB-OH 3.35Å; A118-Y264 HydrophobicContact CB-CD1 4.48Å; A118-Y264 HydrophobicContact CB-CE1 3.86Å
119	P	98.5	Very high	98.1	Very high	22 Å²	22	26.8 Å²	26.8	14%	0.143	18%	0.175	C	C	.	.			trans	-85.5	157.4	-174.4	35.5	-33	0	0	0	111.8	D117 Y123 E150 F151 Y263 Y264	D117-P119 VanDerWaalsContact O-CD 3.24Å; D117-P119 WeakPolarHBondContact O-CD 3.37Å; P119-Y123 HydrophobicContact CG-CD2 4.28Å; P119-Y123 HydrophobicContact CG-CE2 4.24Å; P119-E150 WeakPolarHBondContact CA-OE1 3.31Å; P119-E150 HydrophobicContact CB-CG 4.14Å; P119-E150 WeakPolarHBondContact CB-OE1 3.38Å; P119-F151 HydrophobicContact CB-CE1 4.44Å; P119-Y263 HydrophobicContact CG-CE2 4.37Å; P119-Y263 VanDerWaalsContact O-CE2 3.24Å; P119-Y263 WeakPolarHBondContact O-CE2 3.49Å; P119-Y263 VanDerWaalsContact O-CZ 3.32Å; P119-Y263 PolarHBondContact O-OH 3.36Å; P119-Y264 HydrophobicContact CG-CD1 4.28Å; P119-Y264 HydrophobicContact CG-CD2 4.3Å; P119-Y264 HydrophobicContact CG-CG 3.82Å
120	T	98.5	Very high	98.2	Very high	2 Å²	2	29 Å²	29	1%	0.012	18%	0.183	C	C	.	.			trans	-104.3	-27	170	59	0	0	0	0	111.5	G122 Y123 S124 V127 G128 E150	T120-G122 PolarHBondContact O-N 2.59Å; T120-Y123 CarbonylContact O-C 3.22Å; T120-Y123 PolarHBondContact O-N 3.27Å; T120-S124 PolarHBondContact O-N 2.86Å; T120-V127 HydrophobicContact CG2-CG2 4.31Å; T120-G128 WeakPolarHBondContact CB-O 3.3Å; T120-G128 WeakPolarHBondContact CG2-O 3.32Å; T120-E150 PolarHBondContact N-OE1 2.87Å
121	S	97.9	Very high	98.3	Very high	57 Å²	57	25.3 Å²	25.3	40%	0.399	17%	0.165	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61	127.5	176.8	-67.8	0	0	0	0	111.7	Y123 E150	S121-Y123 VanDerWaalsContact O-CD2 3.25Å; S121-Y123 WeakPolarHBondContact O-CD2 3.47Å; S121-Y123 PolarHBondContact O-N 2.83Å; S121-E150 WeakPolarHBondContact CB-OE2 3.44Å; S121-E150 PolarHBondContact N-OE1 3.43Å; S121-E150 VanDerWaalsContact N-OE1 3.15Å; S121-E150 PolarHBondContact OG-OE2 2.82Å
122	G	97.9	Very high	98.2	Very high	77 Å²	77	26.3 Å²	26.3	79%	0.794	17%	0.171	S	C	*	.	T	Hydrogen-bonded Turn	trans	82.5	-8.4	-175	0	0	0	0	0	114.8	T120	T120-G122 PolarHBondContact O-N 2.59Å
123	Y	98.5	Very high	98.2	Very high	59 Å²	59	26.6 Å²	26.6	23%	0.231	17%	0.172	C	C	.	.	T	Hydrogen-bonded Turn	trans	-127	3.5	-177.7	-56	-81.4	0	0	0	113	L98 P119 T120 S121 A125 D126 V127 Y263 Y264	L98-Y123 HydrophobicContact CD2-CD1 3.8Å; L98-Y123 HydrophobicContact CD2-CE1 3.94Å; P119-Y123 HydrophobicContact CG-CD2 4.28Å; P119-Y123 HydrophobicContact CG-CE2 4.24Å; T120-Y123 CarbonylContact O-C 3.22Å; T120-Y123 PolarHBondContact O-N 3.27Å; S121-Y123 VanDerWaalsContact O-CD2 3.25Å; S121-Y123 WeakPolarHBondContact O-CD2 3.47Å; S121-Y123 PolarHBondContact O-N 2.83Å; Y123-A125 PolarHBondContact O-N 3.15Å; Y123-A125 VanDerWaalsContact O-N 3.08Å; Y123-D126 PolarHBondContact O-N 3.01Å; Y123-V127 WeakPolarHBondContact O-CG2 3.4Å; Y123-V127 PolarHBondContact O-N 3.04Å; Y123-Y263 AromaticContact CD1-CD2 3.75Å; Y123-Y263 HydrophobicContact CD1-CD2 3.75Å; Y123-Y263 HydrophobicContact CD1-CE2 4.33Å; Y123-Y263 HydrophobicContact CD2-CD2 4.01Å; Y123-Y263 AromaticContact CD2-CE2 3.84Å; Y123-Y263 HydrophobicContact CD2-CE2 3.84Å; Y123-Y263 HydrophobicContact CE1-CD2 4.11Å; Y123-Y263 WeakPolarHBondContact CE1-O 3.08Å; Y123-Y263 HydrophobicContact CE2-CD2 4.37Å; Y123-Y263 HydrophobicContact CE2-CE2 4.43Å; Y123-Y263 AromaticContact CG-CD2 3.71Å; Y123-Y263 HydrophobicContact CG-CD2 3.71Å; Y123-Y263 AromaticContact CG-CE2 3.8Å; Y123-Y263 HydrophobicContact CG-CE2 3.8Å; Y123-Y264 WeakPolarHBondContact OH-CA 3.24Å
124	S	98.3	Very high	98.2	Very high	47 Å²	47	26.7 Å²	26.7	33%	0.329	17%	0.173	S	C	.	.	H	α-helix	trans	-60	-26.4	-170	58.9	0	0	0	0	114.5	G103 T120 D126 G128 N129	G103-S124 WeakPolarHBondContact CA-O 3.03Å; T120-S124 PolarHBondContact O-N 2.86Å; S124-D126 PolarHBondContact O-N 2.94Å; S124-G128 VanDerWaalsContact O-CA 3.26Å; S124-G128 WeakPolarHBondContact O-CA 3.06Å; S124-G128 PolarHBondContact O-N 3.36Å; S124-N129 WeakPolarHBondContact CB-OD1 3.5Å
125	A	98.6	Very high	98.2	Very high	61 Å²	61	26.6 Å²	26.6	50%	0.504	17%	0.173	S	C	.	.	H	α-helix	trans	-60.3	-37.5	172.9	0	0	0	0	0	111.8	K101 G103 Y123	K101-A125 CarbonylContact C-O 3.55Å; K101-A125 WeakPolarHBondContact CA-O 3.02Å; G103-A125 WeakPolarHBondContact CA-O 3.32Å; G103-A125 PolarHBondContact N-O 3.37Å; Y123-A125 PolarHBondContact O-N 3.15Å; Y123-A125 VanDerWaalsContact O-N 3.08Å
126	D	98.8	Very high	98.2	Very high	22 Å²	22	26 Å²	26	12%	0.118	17%	0.169	C	C	.	.	H	α-helix	trans	-94.3	-42	-177	-69.6	-32.9	0	0	0	112.3	L97 G99 T100 K101 L102 G103 Y123 S124	L97-D126 VanDerWaalsContact O-CB 3.28Å; L97-D126 WeakPolarHBondContact O-CB 3.44Å; G99-D126 VanDerWaalsContact C-OD1 3.3Å; G99-D126 VanDerWaalsContact CA-OD1 3.32Å; G99-D126 WeakPolarHBondContact CA-OD1 3.33Å; G99-D126 PolarHBondContact N-OD1 3.19Å; G99-D126 VanDerWaalsContact N-OD1 3.15Å; G99-D126 PolarHBondContact N-OD2 2.84Å; T100-D126 PolarHBondContact N-OD1 3.44Å; T100-D126 VanDerWaalsContact N-OD1 3.1Å; K101-D126 PolarHBondContact N-OD1 2.77Å; L102-D126 WeakPolarHBondContact CB-O 3.49Å; L102-D126 PolarHBondContact N-O 2.86Å; G103-D126 PolarHBondContact N-O 3.03Å; Y123-D126 PolarHBondContact O-N 3.01Å; S124-D126 PolarHBondContact O-N 2.94Å
127	V	98.6	Very high	98.2	Very high	1 Å²	1	24.8 Å²	24.8	1%	0.006	16%	0.163	C	C	.	.	H	α-helix	trans	-110.3	-4.1	-170.1	-52	0	0	0	0	114.1	I91 L97 I106 R114 T120 Y123 Y263	I91-V127 HydrophobicContact CG2-CB 4.16Å; I91-V127 HydrophobicContact CG2-CG1 4.45Å; L97-V127 HydrophobicContact CB-CG1 3.98Å; L97-V127 HydrophobicContact CD1-CG1 3.89Å; I106-V127 WeakPolarHBondContact CD1-O 3.02Å; R114-V127 PolarHBondContact NH1-O 3.32Å; R114-V127 PolarHBondContact NH2-O 3.25Å; T120-V127 HydrophobicContact CG2-CG2 4.31Å; Y123-V127 WeakPolarHBondContact O-CG2 3.4Å; Y123-V127 PolarHBondContact O-N 3.04Å; V127-Y263 HydrophobicContact CG1-CD1 4.4Å; V127-Y263 HydrophobicContact CG1-CE1 4.16Å; V127-Y263 HydrophobicContact CG1-CE2 4.46Å
128	G	98.3	Very high	98.1	Very high	1 Å²	1	25.9 Å²	25.9	1%	0.01	17%	0.168	C	C	.	.			trans	67.8	175.4	-173.2	0	0	0	0	0	113.1	R114 T120 S124	R114-G128 PolarHBondContact NH2-O 2.89Å; T120-G128 WeakPolarHBondContact CB-O 3.3Å; T120-G128 WeakPolarHBondContact CG2-O 3.32Å; S124-G128 VanDerWaalsContact O-CA 3.26Å; S124-G128 WeakPolarHBondContact O-CA 3.06Å; S124-G128 PolarHBondContact O-N 3.36Å
129	N	97.7	Very high	98	Very high	42 Å²	42	29.2 Å²	29.2	23%	0.225	19%	0.191	C	C	.	.	S	Bend	trans	-104.6	-34.9	174.2	-65.7	-55.3	0	0	0	112.9	E107 S124 T131 R154 T155	E107-N129 WeakPolarHBondContact OE1-CA 3.28Å; E107-N129 PolarHBondContact OE1-N 3.04Å; S124-N129 WeakPolarHBondContact CB-OD1 3.5Å; N129-T131 PolarHBondContact O-N 3.31Å; N129-T131 PolarHBondContact O-OG1 3.32Å; N129-R154 VanDerWaalsContact CG-NH2 3.28Å; N129-R154 PolarHBondContact ND2-NH2 3.44Å; N129-R154 PolarHBondContact OD1-NE 2.77Å; N129-R154 PolarHBondContact OD1-NH2 3.46Å; N129-T155 WeakPolarHBondContact O-CG2 3.46Å
130	K	96.8	Very high	97.9	Very high	60 Å²	60	28.3 Å²	28.3	26%	0.261	19%	0.185	S	C	.	.			trans	-54.4	132.4	-175.7	-170.3	177.7	174.2	177	0	111.1	E107 A109 E110 T112 R114	E107-K130 PolarHBondContact OE1-N 2.91Å; A109-K130 WeakPolarHBondContact O-CE 3.34Å; A109-K130 PolarHBondContact O-NZ 2.92Å; E110-K130 WeakPolarHBondContact O-CE 3.32Å; E110-K130 PolarHBondContact O-NZ 3.13Å; T112-K130 HydrophobicContact CG2-CB 4.31Å; T112-K130 HydrophobicContact CG2-CD 4.27Å; T112-K130 HydrophobicContact CG2-CG 4.23Å; T112-K130 PolarHBondContact OG1-O 2.84Å; T112-K130 VanDerWaalsContact OG1-O 3.09Å; R114-K130 PolarHBondContact NE-O 3.48Å; R114-K130 VanDerWaalsContact NE-O 3.12Å; R114-K130 PolarHBondContact NH2-O 3.37Å
131	T	97.8	Very high	97.9	Very high	6 Å²	6	28.2 Å²	28.2	4%	0.037	19%	0.185	C	C	.	.			trans	-142	111.9	174	-52.6	0	0	0	0	107.9	T112 R114 N129 R134 T158	T112-T131 WeakPolarHBondContact OG1-CA 3.27Å; T112-T131 PolarHBondContact OG1-N 2.57Å; R114-T131 HydrophobicContact CB-CG2 4.16Å; R114-T131 VanDerWaalsContact CD-OG1 3.26Å; R114-T131 WeakPolarHBondContact CD-OG1 3.27Å; R114-T131 HydrophobicContact CG-CG2 4.14Å; R114-T131 PolarHBondContact NE-OG1 2.67Å; R114-T131 VanDerWaalsContact NE-OG1 3.09Å; N129-T131 PolarHBondContact O-N 3.31Å; N129-T131 PolarHBondContact O-OG1 3.32Å; T131-R134 HydrophobicContact CG2-CB 4.15Å; T131-T158 HydrophobicContact CG2-CG2 3.9Å; T131-T158 PolarHBondContact O-OG1 2.85Å
132	T	97.1	Very high	97.9	Very high	31 Å²	31	30 Å²	30	19%	0.19	19%	0.185	C	C	.	.	S	Bend	trans	-88.8	-48.8	175.2	-49.4	0	0	0	0	110.1	C111 T112 V159	C111-T132 WeakPolarHBondContact CA-OG1 3.49Å; C111-T132 HydrophobicContact CB-CG2 4.33Å; T112-T132 PolarHBondContact N-OG1 2.58Å; T112-T132 VanDerWaalsContact N-OG1 3.09Å; T112-T132 WeakPolarHBondContact O-CA 3.33Å; T112-T132 WeakPolarHBondContact O-CB 3.5Å; T112-T132 PolarHBondContact O-N 2.76Å; T112-T132 PolarHBondContact OG1-N 3.48Å; T112-T132 PolarHBondContact OG1-OG1 2.84Å; T132-V159 PolarHBondContact O-N 3.1Å
133	F	98	Very high	97.8	Very high	6 Å²	6	31.8 Å²	31.8	3%	0.026	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	138.5	176.9	-57.5	-82.5	0	0	0	110.5	P82 C111 T112 I113 R114 V159 I161 L235	P82-F133 HydrophobicContact CG-CE1 4.39Å; C111-F133 HydrophobicContact CB-CE2 4.22Å; T112-F133 PolarHBondContact O-N 2.91Å; I113-F133 WeakPolarHBondContact CA-O 3.48Å; I113-F133 HydrophobicContact CG1-CB 4.23Å; I113-F133 HydrophobicContact CG1-CD2 4.17Å; I113-F133 HydrophobicContact CG2-CB 4.27Å; R114-F133 PolarHBondContact N-O 3.22Å; F133-V159 CarbonylContact C-O 3.54Å; F133-V159 WeakPolarHBondContact CA-O 3.24Å; F133-V159 HydrophobicContact CD1-CB 3.78Å; F133-V159 HydrophobicContact CD1-CG1 4.07Å; F133-V159 HydrophobicContact CD1-CG2 4.5Å; F133-V159 HydrophobicContact CE1-CB 4.07Å; F133-V159 HydrophobicContact CE1-CG1 4.26Å; F133-V159 HydrophobicContact CE1-CG2 4.35Å; F133-I161 HydrophobicContact CD1-CD1 4.29Å; F133-L235 HydrophobicContact CD1-CD1 4.15Å; F133-L235 HydrophobicContact CD2-CD1 4.25Å; F133-L235 HydrophobicContact CE1-CD1 4.09Å; F133-L235 HydrophobicContact CE2-CD1 4.18Å; F133-L235 HydrophobicContact CG-CD1 4.24Å; F133-L235 HydrophobicContact CZ-CD1 4.1Å
134	R	98.5	Very high	97.8	Very high	2 Å²	2	29 Å²	29	1%	0.008	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	113.2	170.8	-169.5	172.4	-82.4	-104.8	1.1	110.6	R114 N116 A118 T131 V136 F151 T158 V159 F160 I161	R114-R134 CarbonylContact O-C 3.46Å; R114-R134 WeakPolarHBondContact O-CA 3.27Å; N116-R134 PolarHBondContact O-NH1 3.26Å; A118-R134 PolarHBondContact O-NH1 3.49Å; A118-R134 PolarHBondContact O-NH2 3.25Å; T131-R134 HydrophobicContact CG2-CB 4.15Å; R134-V136 HydrophobicContact CG-CG2 3.83Å; R134-F151 VanDerWaalsContact CZ-CD1 3.45Å; R134-F151 VanDerWaalsContact NH1-CE1 3.33Å; R134-T158 HydrophobicContact CB-CG2 3.89Å; R134-V159 PolarHBondContact N-O 3.28Å; R134-F160 HydrophobicContact CB-CD1 4.09Å; R134-F160 HydrophobicContact CB-CE1 4.3Å; R134-F160 HydrophobicContact CG-CD1 4.48Å; R134-F160 WeakPolarHBondContact O-CA 3.31Å; R134-I161 PolarHBondContact O-N 3.08Å
135	V	98.8	Very high	97.7	Very high	0 Å²	0	28 Å²	28	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	119.4	178.1	-174.9	0	0	0	0	109	I113 R114 M115 N116 I161 T224 F227 T228 I231	I113-V135 HydrophobicContact CG2-CG2 4.12Å; R114-V135 PolarHBondContact O-N 3.4Å; M115-V135 CarbonylContact C-O 3.48Å; M115-V135 WeakPolarHBondContact CA-O 3.3Å; N116-V135 PolarHBondContact N-O 3.24Å; V135-I161 CarbonylContact C-O 3.54Å; V135-I161 WeakPolarHBondContact CA-O 3.44Å; V135-T224 HydrophobicContact CB-CG2 4.41Å; V135-T224 HydrophobicContact CG1-CG2 4.02Å; V135-F227 HydrophobicContact CG1-CB 4.38Å; V135-T228 WeakPolarHBondContact CB-OG1 3.4Å; V135-T228 HydrophobicContact CG2-CG2 4.25Å; V135-I231 HydrophobicContact CG1-CD1 4.04Å; V135-I231 HydrophobicContact CG2-CD1 4.14Å
136	V	98.7	Very high	97.7	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	118.8	-169.7	-175.7	0	0	0	0	110.6	R134 V141 V144 F160 I161 F162 W163	R134-V136 HydrophobicContact CG-CG2 3.83Å; V136-V141 HydrophobicContact CG1-CG2 4.41Å; V136-V144 HydrophobicContact CG1-CG2 3.97Å; V136-V144 HydrophobicContact CG2-CG2 4.29Å; V136-F160 HydrophobicContact CG2-CD1 4.27Å; V136-I161 PolarHBondContact N-O 3.02Å; V136-F162 HydrophobicContact CB-CD1 3.61Å; V136-F162 HydrophobicContact CB-CE1 3.76Å; V136-F162 HydrophobicContact CB-CG 4.48Å; V136-F162 HydrophobicContact CG1-CD1 3.8Å; V136-F162 HydrophobicContact CG1-CE1 3.75Å; V136-F162 HydrophobicContact CG2-CD1 4.44Å; V136-F162 HydrophobicContact CG2-CE1 4.18Å; V136-F162 VanDerWaalsContact O-CA 3.3Å; V136-F162 WeakPolarHBondContact O-CA 3.48Å; V136-W163 PolarHBondContact O-N 2.86Å
137	A	98.1	Very high	97.6	Very high	1 Å²	1	39.8 Å²	39.8	1%	0.008	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.8	149.6	170.3	0	0	0	0	0	111.1	N116 S139 S140 V141 W163	N116-A137 WeakPolarHBondContact OD1-CB 3.41Å; N116-A137 PolarHBondContact OD1-N 2.69Å; A137-S139 PolarHBondContact O-N 3.42Å; A137-S139 VanDerWaalsContact O-N 3.1Å; A137-S140 WeakPolarHBondContact O-CA 3.35Å; A137-S140 WeakPolarHBondContact O-CB 3.22Å; A137-S140 PolarHBondContact O-N 2.68Å; A137-V141 PolarHBondContact O-N 2.79Å; A137-W163 CarbonylContact C-O 3.58Å; A137-W163 HydrophobicContact CB-CD2 4.41Å; A137-W163 HydrophobicContact CB-CH2 4.35Å; A137-W163 HydrophobicContact CB-CZ2 3.5Å; A137-W163 VanDerWaalsContact CB-CZ2 3.5Å
138	H	96.1	Very high	97.5	Very high	46 Å²	46	41.2 Å²	41.2	21%	0.213	19%	0.191	C	C	.	.	G	3₁₀ helix	trans	-51.1	-36.8	174.9	76.7	-77.7	0	0	0	112.9	S140 V141 W163 P165 M169 L176	H138-S140 PolarHBondContact O-N 3.39Å; H138-V141 PolarHBondContact O-N 2.9Å; H138-W163 PolarHBondContact N-O 3.22Å; H138-P165 WeakPolarHBondContact ND1-CD 3.41Å; H138-M169 HydrophobicContact CB-CG 4.25Å; H138-M169 HydrophobicContact CB-SD 4.07Å; H138-L176 HydrophobicContact CB-CD1 3.67Å; H138-L176 WeakPolarHBondContact O-CD1 2.95Å
139	S	95.9	Very high	97.4	Very high	71 Å²	71	47.8 Å²	47.8	50%	0.497	22%	0.221	S	C	.	.	G	3₁₀ helix	trans	-68.9	-14.8	177.7	56.5	0	0	0	0	113.8	A137 R143	A137-S139 PolarHBondContact O-N 3.42Å; A137-S139 VanDerWaalsContact O-N 3.1Å; S139-R143 PolarHBondContact O-NH1 2.9Å
140	S	97.9	Very high	97.4	Very high	3 Å²	3	47 Å²	47	2%	0.021	22%	0.216	C	C	.	.	G	3₁₀ helix	trans	-105.2	-10.8	-178.3	-52.2	0	0	0	0	113.3	N116 A137 H138 F142 R143 V144	N116-S140 VanDerWaalsContact CG-OG 3.27Å; N116-S140 WeakPolarHBondContact OD1-CB 3.47Å; N116-S140 PolarHBondContact OD1-OG 2.89Å; A137-S140 WeakPolarHBondContact O-CA 3.35Å; A137-S140 WeakPolarHBondContact O-CB 3.22Å; A137-S140 PolarHBondContact O-N 2.68Å; H138-S140 PolarHBondContact O-N 3.39Å; S140-F142 VanDerWaalsContact C-N 3.31Å; S140-F142 PolarHBondContact O-N 3.2Å; S140-R143 PolarHBondContact O-N 2.93Å; S140-R143 PolarHBondContact OG-NH2 3.26Å; S140-V144 PolarHBondContact O-N 2.99Å
141	V	97.7	Very high	97.4	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-48.9	-49.9	-176.5	169.8	0	0	0	0	112	V136 A137 H138 R143 V144 L145 F162 L176 V179 I180	V136-V141 HydrophobicContact CG1-CG2 4.41Å; A137-V141 PolarHBondContact O-N 2.79Å; H138-V141 PolarHBondContact O-N 2.9Å; V141-R143 PolarHBondContact O-N 2.86Å; V141-V144 PolarHBondContact O-N 2.79Å; V141-L145 HydrophobicContact CG1-CD1 3.72Å; V141-L145 HydrophobicContact CG1-CG 4.38Å; V141-L145 WeakPolarHBondContact O-CB 3.27Å; V141-L145 WeakPolarHBondContact O-CG 3.12Å; V141-L145 PolarHBondContact O-N 3.06Å; V141-F162 HydrophobicContact CG2-CD1 3.78Å; V141-F162 HydrophobicContact CG2-CE1 4.05Å; V141-L176 HydrophobicContact CB-CD2 4.42Å; V141-L176 HydrophobicContact CG1-CD2 4.34Å; V141-L176 HydrophobicContact CG2-CD1 4.37Å; V141-V179 HydrophobicContact CG1-CG1 4.45Å; V141-I180 HydrophobicContact CG1-CD1 4.26Å; V141-I180 HydrophobicContact CG1-CG1 3.8Å; V141-I180 HydrophobicContact CG2-CD1 4.15Å
142	F	97.3	Very high	97.3	Very high	95 Å²	95	44.5 Å²	44.5	42%	0.417	21%	0.205	S	C	.	.	H	α-helix	trans	-67.9	-36.2	-179.3	-73.1	-65.4	0	0	0	113.4	S140 V144 R146 L176 V179	S140-F142 VanDerWaalsContact C-N 3.31Å; S140-F142 PolarHBondContact O-N 3.2Å; F142-V144 VanDerWaalsContact C-N 3.31Å; F142-R146 WeakPolarHBondContact O-CB 3.37Å; F142-R146 WeakPolarHBondContact O-CG 3.32Å; F142-R146 PolarHBondContact O-N 3.29Å; F142-R146 VanDerWaalsContact O-N 3.07Å; F142-L176 HydrophobicContact CD2-CD2 4.03Å; F142-L176 HydrophobicContact CE2-CD2 3.38Å; F142-L176 HydrophobicContact CZ-CD2 3.79Å; F142-V179 HydrophobicContact CD1-CG1 4.37Å; F142-V179 HydrophobicContact CE1-CG1 3.92Å; F142-V179 HydrophobicContact CE1-CG2 3.97Å; F142-V179 HydrophobicContact CZ-CG2 4.08Å
143	R	97.6	Very high	97.2	Very high	114 Å²	114	45.9 Å²	45.9	43%	0.43	21%	0.211	S	C	.	.	H	α-helix	trans	-67.6	-36.5	179.7	-65.7	-164.9	-58.4	-72.1	-9.6	111.2	D117 S139 S140 V141	D117-R143 HydrophobicContact CB-CB 3.87Å; D117-R143 IonicContact OD1-CZ 2.7Å; D117-R143 IonicContact OD1-NE 2.63Å; D117-R143 PolarHBondContact OD1-NE 2.77Å; D117-R143 IonicContact OD1-NH2 3.18Å; D117-R143 PolarHBondContact OD1-NH2 2.84Å; D117-R143 VanDerWaalsContact OD2-CD 3.31Å; D117-R143 WeakPolarHBondContact OD2-CD 3.19Å; D117-R143 IonicContact OD2-CZ 3.51Å; D117-R143 IonicContact OD2-NE 3.02Å; D117-R143 PolarHBondContact OD2-NE 3.2Å; D117-R143 IonicContact OD2-NH2 3.58Å; S139-R143 PolarHBondContact O-NH1 2.9Å; S140-R143 PolarHBondContact O-N 2.93Å; S140-R143 PolarHBondContact OG-NH2 3.26Å; V141-R143 PolarHBondContact O-N 2.86Å
144	V	98.1	Very high	97	Very high	0 Å²	0	51 Å²	51	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-70.4	-56.7	174.7	175.4	0	0	0	0	111.1	N116 D117 V136 S140 V141 F142 R146 K147 F151 F160	N116-V144 VanDerWaalsContact O-CG2 3.27Å; N116-V144 WeakPolarHBondContact O-CG2 3.19Å; D117-V144 HydrophobicContact CB-CG2 4.12Å; V136-V144 HydrophobicContact CG1-CG2 3.97Å; V136-V144 HydrophobicContact CG2-CG2 4.29Å; S140-V144 PolarHBondContact O-N 2.99Å; V141-V144 PolarHBondContact O-N 2.79Å; F142-V144 VanDerWaalsContact C-N 3.31Å; V144-R146 VanDerWaalsContact C-N 3.3Å; V144-R146 PolarHBondContact O-N 2.98Å; V144-K147 PolarHBondContact O-N 2.86Å; V144-K147 VanDerWaalsContact O-N 3.14Å; V144-F151 HydrophobicContact CB-CD2 4.38Å; V144-F151 HydrophobicContact CG1-CB 3.78Å; V144-F151 HydrophobicContact CG1-CD2 4.3Å; V144-F151 HydrophobicContact CG1-CG 4.13Å; V144-F151 VanDerWaalsContact O-CD2 3.32Å; V144-F151 WeakPolarHBondContact O-CD2 3.44Å; V144-F160 HydrophobicContact CG1-CE1 3.97Å
145	L	96.6	Very high	96.7	Very high	25 Å²	25	52.1 Å²	52.1	13%	0.131	24%	0.238	C	C	.	.	H	α-helix	trans	-72.5	-19	-171.1	-61.6	-179.8	0	0	0	114.2	V141 K147 V179 I180 A183 M190	V141-L145 HydrophobicContact CG1-CD1 3.72Å; V141-L145 HydrophobicContact CG1-CG 4.38Å; V141-L145 WeakPolarHBondContact O-CB 3.27Å; V141-L145 WeakPolarHBondContact O-CG 3.12Å; V141-L145 PolarHBondContact O-N 3.06Å; L145-K147 VanDerWaalsContact C-N 3.29Å; L145-V179 HydrophobicContact CD1-CG1 4.01Å; L145-I180 HydrophobicContact CD1-CG1 4.03Å; L145-A183 HydrophobicContact CD1-CB 3.9Å; L145-A183 HydrophobicContact CD2-CB 3.94Å; L145-A183 HydrophobicContact CG-CB 4.39Å; L145-M190 HydrophobicContact CD2-CE 3.8Å; L145-M190 HydrophobicContact CD2-SD 4.43Å
146	R	96.9	Very high	96.2	Very high	200 Å²	200	55.6 Å²	55.6	76%	0.755	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.5	-11.2	173.5	-75.7	179.4	173.2	-178.7	-1.7	113.9	F142 V144 P148	F142-R146 WeakPolarHBondContact O-CB 3.37Å; F142-R146 WeakPolarHBondContact O-CG 3.32Å; F142-R146 PolarHBondContact O-N 3.29Å; F142-R146 VanDerWaalsContact O-N 3.07Å; V144-R146 VanDerWaalsContact C-N 3.3Å; V144-R146 PolarHBondContact O-N 2.98Å; R146-P148 WeakPolarHBondContact O-CD 3.29Å
147	K	97.4	Very high	95.8	Very high	132 Å²	132	64 Å²	64	57%	0.574	30%	0.3	S	S	*	.			trans	-122.9	63.5	177.6	-65	-175.7	176.8	-177.2	0	110.3	V144 L145 Q149 E150 F151	V144-K147 PolarHBondContact O-N 2.86Å; V144-K147 VanDerWaalsContact O-N 3.14Å; L145-K147 VanDerWaalsContact C-N 3.29Å; K147-Q149 PolarHBondContact O-N 2.83Å; K147-E150 HydrophobicContact CB-CB 4.09Å; K147-E150 PolarHBondContact O-N 3.27Å; K147-F151 HydrophobicContact CB-CD2 3.79Å; K147-F151 HydrophobicContact CB-CE2 3.84Å; K147-F151 HydrophobicContact CD-CE2 4.11Å; K147-F151 PolarHBondContact O-N 3.1Å
148	P	96.1	Very high	95.7	Very high	31 Å²	31	64 Å²	64	20%	0.201	30%	0.299	C	S	.	.	H	α-helix	trans	-62	-32	-175.6	25.8	-34.9	0	0	0	112.7	R146 E150 F151 V152 N153 F187	R146-P148 WeakPolarHBondContact O-CD 3.29Å; P148-E150 PolarHBondContact O-N 3.24Å; P148-F151 PolarHBondContact O-N 3.14Å; P148-V152 HydrophobicContact CB-CB 4.24Å; P148-V152 HydrophobicContact CB-CG2 4.32Å; P148-V152 CarbonylContact O-C 3.59Å; P148-V152 WeakPolarHBondContact O-CA 3.34Å; P148-V152 WeakPolarHBondContact O-CB 3.36Å; P148-V152 PolarHBondContact O-N 2.95Å; P148-N153 PolarHBondContact O-N 3.17Å; P148-F187 HydrophobicContact CB-CE1 3.84Å; P148-F187 HydrophobicContact CB-CE2 3.9Å; P148-F187 HydrophobicContact CB-CZ 3.33Å; P148-F187 HydrophobicContact CG-CZ 3.8Å
149	Q	96.3	Very high	95.7	Very high	138 Å²	138	62.2 Å²	62.2	65%	0.645	29%	0.292	S	S	*	.	H	α-helix	trans	-63.3	-30.7	176	-59.3	-56.4	-17.4	0	0	113	K147 N153	K147-Q149 PolarHBondContact O-N 2.83Å; Q149-N153 VanDerWaalsContact CD-ND2 3.32Å; Q149-N153 PolarHBondContact NE2-ND2 3.18Å; Q149-N153 PolarHBondContact OE1-ND2 3.08Å
150	E	97.1	Very high	95.8	Very high	25 Å²	25	59 Å²	59	12%	0.117	27%	0.268	C	S	.	.	H	α-helix	trans	-84.2	-44.8	178.5	178.8	58.3	-160.6	0	0	111.9	P119 T120 S121 K147 P148 R154	P119-E150 WeakPolarHBondContact CA-OE1 3.31Å; P119-E150 HydrophobicContact CB-CG 4.14Å; P119-E150 WeakPolarHBondContact CB-OE1 3.38Å; T120-E150 PolarHBondContact N-OE1 2.87Å; S121-E150 WeakPolarHBondContact CB-OE2 3.44Å; S121-E150 PolarHBondContact N-OE1 3.43Å; S121-E150 VanDerWaalsContact N-OE1 3.15Å; S121-E150 PolarHBondContact OG-OE2 2.82Å; K147-E150 HydrophobicContact CB-CB 4.09Å; K147-E150 PolarHBondContact O-N 3.27Å; P148-E150 PolarHBondContact O-N 3.24Å; E150-R154 WeakPolarHBondContact O-CB 3.28Å
151	F	97.3	Very high	95.8	Very high	7 Å²	7	58.8 Å²	58.8	3%	0.031	27%	0.267	C	S	.	.	H	α-helix	trans	-107.6	-24.8	-165.8	-59.4	-60.8	0	0	0	114.8	D117 P119 R134 V144 K147 P148 F160	D117-F151 HydrophobicContact CB-CE2 4.23Å; D117-F151 HydrophobicContact CB-CZ 3.87Å; D117-F151 VanDerWaalsContact O-CZ 3.27Å; D117-F151 WeakPolarHBondContact O-CZ 3.47Å; P119-F151 HydrophobicContact CB-CE1 4.44Å; R134-F151 VanDerWaalsContact CZ-CD1 3.45Å; R134-F151 VanDerWaalsContact NH1-CE1 3.33Å; V144-F151 HydrophobicContact CB-CD2 4.38Å; V144-F151 HydrophobicContact CG1-CB 3.78Å; V144-F151 HydrophobicContact CG1-CD2 4.3Å; V144-F151 HydrophobicContact CG1-CG 4.13Å; V144-F151 VanDerWaalsContact O-CD2 3.32Å; V144-F151 WeakPolarHBondContact O-CD2 3.44Å; K147-F151 HydrophobicContact CB-CD2 3.79Å; K147-F151 HydrophobicContact CB-CE2 3.84Å; K147-F151 HydrophobicContact CD-CE2 4.11Å; K147-F151 PolarHBondContact O-N 3.1Å; P148-F151 PolarHBondContact O-N 3.14Å; F151-F160 WeakPolarHBondContact O-CZ 3.44Å
152	V	95.6	Very high	95.8	Very high	8 Å²	8	58.8 Å²	58.8	5%	0.048	27%	0.267	C	S	.	.	T	Hydrogen-bonded Turn	trans	-106.8	-52.1	-176	-178	0	0	0	0	111.1	P148 F160 F187 M190	P148-V152 HydrophobicContact CB-CB 4.24Å; P148-V152 HydrophobicContact CB-CG2 4.32Å; P148-V152 CarbonylContact O-C 3.59Å; P148-V152 WeakPolarHBondContact O-CA 3.34Å; P148-V152 WeakPolarHBondContact O-CB 3.36Å; P148-V152 PolarHBondContact O-N 2.95Å; V152-F160 HydrophobicContact CB-CZ 4.49Å; V152-F160 HydrophobicContact CG2-CE2 4.5Å; V152-F160 HydrophobicContact CG2-CZ 3.93Å; V152-F187 HydrophobicContact CG1-CB 3.94Å; V152-F187 HydrophobicContact CG1-CD1 4.07Å; V152-F187 HydrophobicContact CG1-CD2 4.33Å; V152-F187 HydrophobicContact CG1-CG 3.85Å; V152-M190 HydrophobicContact CG1-CB 4.39Å
153	N	94.6	Very high	95.8	Very high	59 Å²	59	54.7 Å²	54.7	32%	0.316	25%	0.249	S	C	.	.	S	Bend	trans	-84.8	-20	-173.9	-62.1	-12.6	0	0	0	113.3	P148 Q149 T155 P156	P148-N153 PolarHBondContact O-N 3.17Å; Q149-N153 VanDerWaalsContact CD-ND2 3.32Å; Q149-N153 PolarHBondContact NE2-ND2 3.18Å; Q149-N153 PolarHBondContact OE1-ND2 3.08Å; N153-T155 VanDerWaalsContact C-N 3.27Å; N153-T155 PolarHBondContact O-N 2.81Å; N153-P156 WeakPolarHBondContact O-CD 3.46Å; N153-P156 WeakPolarHBondContact O-CG 3.4Å
154	R	93.8	Very high	95.6	Very high	115 Å²	115	49.4 Å²	49.4	43%	0.434	23%	0.23	S	C	.	.	S	Bend	trans	-61.5	-39.5	-178.2	-172.4	64.3	172.9	158.6	-0.6	111.8	N129 E150	N129-R154 VanDerWaalsContact CG-NH2 3.28Å; N129-R154 PolarHBondContact ND2-NH2 3.44Å; N129-R154 PolarHBondContact OD1-NE 2.77Å; N129-R154 PolarHBondContact OD1-NH2 3.46Å; E150-R154 WeakPolarHBondContact O-CB 3.28Å
155	T	93	Very high	95.3	Very high	25 Å²	25	50.2 Å²	50.2	15%	0.153	24%	0.236	C	C	.	.	S	Bend	trans	-135.2	85.6	176	39.9	0	0	0	0	107.5	N129 N153 E157 T158	N129-T155 WeakPolarHBondContact O-CG2 3.46Å; N153-T155 VanDerWaalsContact C-N 3.27Å; N153-T155 PolarHBondContact O-N 2.81Å; T155-E157 PolarHBondContact O-N 2.82Å; T155-T158 WeakPolarHBondContact CB-OG1 3.35Å; T155-T158 VanDerWaalsContact O-CB 3.29Å; T155-T158 WeakPolarHBondContact O-CB 3.44Å; T155-T158 PolarHBondContact O-N 3.18Å; T155-T158 PolarHBondContact O-OG1 2.99Å; T155-T158 PolarHBondContact OG1-OG1 3.42Å
156	P	88.8	Confident	94.8	Very high	73 Å²	73	52.1 Å²	52.1	47%	0.474	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.8	-23.2	-170.4	-27.7	36.1	0	0	0	115.2	N153 T158	N153-P156 WeakPolarHBondContact O-CD 3.46Å; N153-P156 WeakPolarHBondContact O-CG 3.4Å; P156-T158 VanDerWaalsContact C-N 3.28Å
157	E	90.6	Very high	94.4	Very high	177 Å²	177	47.6 Å²	47.6	83%	0.827	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84.9	4.2	178	-60.2	177.6	174.1	0	0	113.2	T155 V159	T155-E157 PolarHBondContact O-N 2.82Å; E157-V159 PolarHBondContact O-N 2.89Å
158	T	95.4	Very high	94	Very high	1 Å²	1	45.3 Å²	45.3	1%	0.006	23%	0.23	C	C	.	.	P	Polyproline II helix	trans	-62.4	127.2	178.8	-67.3	0	0	0	0	111.4	T131 R134 T155 P156 F160	T131-T158 HydrophobicContact CG2-CG2 3.9Å; T131-T158 PolarHBondContact O-OG1 2.85Å; R134-T158 HydrophobicContact CB-CG2 3.89Å; T155-T158 WeakPolarHBondContact CB-OG1 3.35Å; T155-T158 VanDerWaalsContact O-CB 3.29Å; T155-T158 WeakPolarHBondContact O-CB 3.44Å; T155-T158 PolarHBondContact O-N 3.18Å; T155-T158 PolarHBondContact O-OG1 2.99Å; T155-T158 PolarHBondContact OG1-OG1 3.42Å; P156-T158 VanDerWaalsContact C-N 3.28Å; T158-F160 HydrophobicContact CG2-CD2 4.19Å; T158-F160 HydrophobicContact CG2-CE1 4.39Å; T158-F160 HydrophobicContact CG2-CE2 3.89Å; T158-F160 HydrophobicContact CG2-CZ 4.02Å
159	V	96.1	Very high	93.8	Very high	8 Å²	8	44 Å²	44	5%	0.048	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	122.1	170.6	179.9	0	0	0	0	109.7	L81 P82 T132 F133 R134 E157 E191 Y193	L81-V159 HydrophobicContact CD1-CG1 3.65Å; P82-V159 HydrophobicContact CG-CG1 4.48Å; P82-V159 HydrophobicContact CG-CG2 3.83Å; T132-V159 PolarHBondContact O-N 3.1Å; F133-V159 CarbonylContact C-O 3.54Å; F133-V159 WeakPolarHBondContact CA-O 3.24Å; F133-V159 HydrophobicContact CD1-CB 3.78Å; F133-V159 HydrophobicContact CD1-CG1 4.07Å; F133-V159 HydrophobicContact CD1-CG2 4.5Å; F133-V159 HydrophobicContact CE1-CB 4.07Å; F133-V159 HydrophobicContact CE1-CG1 4.26Å; F133-V159 HydrophobicContact CE1-CG2 4.35Å; R134-V159 PolarHBondContact N-O 3.28Å; E157-V159 PolarHBondContact O-N 2.89Å; V159-E191 HydrophobicContact CG2-CB 4.21Å; V159-Y193 HydrophobicContact CG1-CD2 3.74Å; V159-Y193 HydrophobicContact CG1-CE2 3.72Å
160	F	97.6	Very high	93.2	Very high	2 Å²	2	39.5 Å²	39.5	1%	0.009	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	129.7	178.6	-64.9	-97.1	0	0	0	111.3	R134 V136 V144 F151 V152 T158 F162 M190 E191 A192 Y193	R134-F160 HydrophobicContact CB-CD1 4.09Å; R134-F160 HydrophobicContact CB-CE1 4.3Å; R134-F160 HydrophobicContact CG-CD1 4.48Å; R134-F160 WeakPolarHBondContact O-CA 3.31Å; V136-F160 HydrophobicContact CG2-CD1 4.27Å; V144-F160 HydrophobicContact CG1-CE1 3.97Å; F151-F160 WeakPolarHBondContact O-CZ 3.44Å; V152-F160 HydrophobicContact CB-CZ 4.49Å; V152-F160 HydrophobicContact CG2-CE2 4.5Å; V152-F160 HydrophobicContact CG2-CZ 3.93Å; T158-F160 HydrophobicContact CG2-CD2 4.19Å; T158-F160 HydrophobicContact CG2-CE1 4.39Å; T158-F160 HydrophobicContact CG2-CE2 3.89Å; T158-F160 HydrophobicContact CG2-CZ 4.02Å; F160-F162 HydrophobicContact CB-CD2 4.13Å; F160-F162 HydrophobicContact CB-CE2 3.43Å; F160-F162 VanDerWaalsContact CB-CE2 3.43Å; F160-F162 HydrophobicContact CB-CZ 3.88Å; F160-F162 HydrophobicContact CD1-CZ 4.17Å; F160-F162 HydrophobicContact CG-CE2 4.24Å; F160-F162 HydrophobicContact CG-CZ 4.26Å; F160-M190 HydrophobicContact CB-CE 4.28Å; F160-M190 HydrophobicContact CD1-CE 4.33Å; F160-M190 HydrophobicContact CD2-CE 3.72Å; F160-M190 HydrophobicContact CD2-CG 3.82Å; F160-M190 HydrophobicContact CE2-CE 4.06Å; F160-M190 HydrophobicContact CE2-CG 3.85Å; F160-M190 HydrophobicContact CG-CE 3.86Å; F160-M190 HydrophobicContact CZ-CE 4.46Å; F160-E191 PolarHBondContact N-O 2.8Å; F160-A192 HydrophobicContact CB-CB 4.5Å; F160-A192 WeakPolarHBondContact O-CA 3.37Å; F160-Y193 PolarHBondContact O-N 3.37Å
161	I	97.4	Very high	92.2	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	105.7	174.5	-55.2	172	0	0	0	108.2	Y72 L81 F133 R134 V135 V136 V195 I231 L235	Y72-I161 HydrophobicContact CD1-CG2 3.96Å; Y72-I161 HydrophobicContact CE1-CG2 4.11Å; L81-I161 HydrophobicContact CD1-CD1 4.01Å; L81-I161 HydrophobicContact CD1-CG1 3.97Å; L81-I161 HydrophobicContact CD2-CD1 3.92Å; F133-I161 HydrophobicContact CD1-CD1 4.29Å; R134-I161 PolarHBondContact O-N 3.08Å; V135-I161 CarbonylContact C-O 3.54Å; V135-I161 WeakPolarHBondContact CA-O 3.44Å; V136-I161 PolarHBondContact N-O 3.02Å; I161-V195 HydrophobicContact CG2-CG2 4.17Å; I161-I231 HydrophobicContact CD1-CG2 3.9Å; I161-I231 HydrophobicContact CG2-CD1 4.04Å; I161-L235 HydrophobicContact CD1-CD1 4.47Å
162	F	97.8	Very high	91	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	138.5	-179.1	-62.9	-87.7	0	0	0	111.6	V136 V141 F160 M169 I180 M190 A192 Y193 A194 V195	V136-F162 HydrophobicContact CB-CD1 3.61Å; V136-F162 HydrophobicContact CB-CE1 3.76Å; V136-F162 HydrophobicContact CB-CG 4.48Å; V136-F162 HydrophobicContact CG1-CD1 3.8Å; V136-F162 HydrophobicContact CG1-CE1 3.75Å; V136-F162 HydrophobicContact CG2-CD1 4.44Å; V136-F162 HydrophobicContact CG2-CE1 4.18Å; V136-F162 VanDerWaalsContact O-CA 3.3Å; V136-F162 WeakPolarHBondContact O-CA 3.48Å; V141-F162 HydrophobicContact CG2-CD1 3.78Å; V141-F162 HydrophobicContact CG2-CE1 4.05Å; F160-F162 HydrophobicContact CB-CD2 4.13Å; F160-F162 HydrophobicContact CB-CE2 3.43Å; F160-F162 VanDerWaalsContact CB-CE2 3.43Å; F160-F162 HydrophobicContact CB-CZ 3.88Å; F160-F162 HydrophobicContact CD1-CZ 4.17Å; F160-F162 HydrophobicContact CG-CE2 4.24Å; F160-F162 HydrophobicContact CG-CZ 4.26Å; F162-M169 HydrophobicContact CB-CE 3.44Å; F162-M169 VanDerWaalsContact CB-CE 3.44Å; F162-M169 HydrophobicContact CG-CE 4.35Å; F162-I180 HydrophobicContact CB-CD1 4.15Å; F162-I180 HydrophobicContact CD1-CD1 3.71Å; F162-I180 HydrophobicContact CD1-CG1 4.31Å; F162-I180 HydrophobicContact CD2-CD1 4Å; F162-I180 HydrophobicContact CD2-CG2 3.95Å; F162-I180 HydrophobicContact CE1-CD1 4.05Å; F162-I180 HydrophobicContact CE1-CG1 4.13Å; F162-I180 HydrophobicContact CE2-CD1 4.32Å; F162-I180 HydrophobicContact CE2-CG1 4.38Å; F162-I180 HydrophobicContact CE2-CG2 3.48Å; F162-I180 VanDerWaalsContact CE2-CG2 3.48Å; F162-I180 HydrophobicContact CG-CD1 3.69Å; F162-I180 HydrophobicContact CZ-CD1 4.35Å; F162-I180 HydrophobicContact CZ-CG1 4.17Å; F162-I180 HydrophobicContact CZ-CG2 3.87Å; F162-M190 HydrophobicContact CE2-CE 3.97Å; F162-M190 HydrophobicContact CZ-CE 3.85Å; F162-A192 HydrophobicContact CD2-CB 4.5Å; F162-A192 HydrophobicContact CE2-CB 3.99Å; F162-Y193 WeakPolarHBondContact CD2-O 3.44Å; F162-Y193 PolarHBondContact N-O 3.31Å; F162-A194 CarbonylContact O-C 3.54Å; F162-A194 VanDerWaalsContact O-CA 3.27Å; F162-A194 WeakPolarHBondContact O-CA 3.29Å; F162-V195 PolarHBondContact O-N 3.07Å
163	W	97.1	Very high	89.8	Confident	8 Å²	8	55.6 Å²	55.6	3%	0.03	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	152	176	74.4	-91.6	0	0	0	111.4	V136 A137 H138 V195 M200 L222 F227	V136-W163 PolarHBondContact O-N 2.86Å; A137-W163 CarbonylContact C-O 3.58Å; A137-W163 HydrophobicContact CB-CD2 4.41Å; A137-W163 HydrophobicContact CB-CH2 4.35Å; A137-W163 HydrophobicContact CB-CZ2 3.5Å; A137-W163 VanDerWaalsContact CB-CZ2 3.5Å; H138-W163 PolarHBondContact N-O 3.22Å; W163-V195 HydrophobicContact CB-CB 4.26Å; W163-V195 HydrophobicContact CB-CG2 3.65Å; W163-M200 HydrophobicContact CB-SD 4.17Å; W163-M200 HydrophobicContact CE3-CE 3.98Å; W163-L222 WeakPolarHBondContact CH2-O 3.2Å; W163-F227 HydrophobicContact CB-CD1 4.24Å; W163-F227 HydrophobicContact CB-CE1 4.44Å; W163-F227 HydrophobicContact CD2-CD1 4.17Å; W163-F227 AromaticContact CD2-CD2 3.53Å; W163-F227 HydrophobicContact CD2-CD2 3.53Å; W163-F227 HydrophobicContact CD2-CE1 4.13Å; W163-F227 AromaticContact CD2-CE2 3.54Å; W163-F227 HydrophobicContact CD2-CE2 3.54Å; W163-F227 AromaticContact CD2-CG 3.91Å; W163-F227 HydrophobicContact CD2-CG 3.91Å; W163-F227 AromaticContact CD2-CZ 3.86Å; W163-F227 HydrophobicContact CD2-CZ 3.86Å; W163-F227 AromaticContact CE2-CD2 3.41Å; W163-F227 VanDerWaalsContact CE2-CD2 3.41Å; W163-F227 AromaticContact CE2-CE2 3.68Å; W163-F227 HydrophobicContact CE3-CD1 4.42Å; W163-F227 AromaticContact CE3-CD2 3.84Å; W163-F227 HydrophobicContact CE3-CD2 3.84Å; W163-F227 AromaticContact CE3-CE1 3.92Å; W163-F227 HydrophobicContact CE3-CE1 3.92Å; W163-F227 AromaticContact CE3-CE2 3.3Å; W163-F227 HydrophobicContact CE3-CE2 3.3Å; W163-F227 HydrophobicContact CE3-CG 4.41Å; W163-F227 AromaticContact CE3-CZ 3.36Å; W163-F227 HydrophobicContact CE3-CZ 3.36Å; W163-F227 HydrophobicContact CG-CB 4.5Å; W163-F227 HydrophobicContact CG-CD1 4.1Å; W163-F227 HydrophobicContact CG-CD2 4.08Å; W163-F227 HydrophobicContact CG-CE1 4.38Å; W163-F227 HydrophobicContact CG-CE2 4.41Å; W163-F227 AromaticContact CG-CG 3.97Å; W163-F227 HydrophobicContact CG-CG 3.97Å; W163-F227 AromaticContact CH2-CD2 3.93Å; W163-F227 HydrophobicContact CH2-CD2 3.93Å; W163-F227 AromaticContact CH2-CE2 3.4Å; W163-F227 HydrophobicContact CH2-CE2 3.4Å; W163-F227 HydrophobicContact CH2-CZ 4.2Å; W163-F227 AromaticContact CZ2-CD2 3.63Å; W163-F227 HydrophobicContact CZ2-CD2 3.63Å; W163-F227 AromaticContact CZ2-CE2 3.63Å; W163-F227 HydrophobicContact CZ2-CE2 3.63Å; W163-F227 HydrophobicContact CZ3-CD2 4.03Å; W163-F227 AromaticContact CZ3-CE2 3.23Å; W163-F227 HydrophobicContact CZ3-CE2 3.23Å; W163-F227 AromaticContact CZ3-CZ 3.56Å; W163-F227 HydrophobicContact CZ3-CZ 3.56Å; W163-F227 AromaticContact NE1-CD2 3.89Å
164	G	94.5	Very high	89	Confident	3 Å²	3	52.9 Å²	52.9	3%	0.031	27%	0.266	C	S	.	.			trans	166.4	179.2	178.6	0	0	0	0	0	113.8
165	P	90.6	Very high	88.7	Confident	18 Å²	18	50.3 Å²	50.3	12%	0.117	27%	0.266	C	S	.	.			trans	-65.2	145	-178	28.5	-34.9	0	0	0	111.1	H138 N167 K168 M169 W221	H138-P165 WeakPolarHBondContact ND1-CD 3.41Å; P165-N167 VanDerWaalsContact C-N 3.27Å; P165-N167 WeakPolarHBondContact CB-OD1 3.31Å; P165-N167 WeakPolarHBondContact CG-OD1 3.44Å; P165-N167 PolarHBondContact O-N 3.33Å; P165-N167 VanDerWaalsContact O-N 3.17Å; P165-K168 HydrophobicContact CG-CB 4.14Å; P165-K168 HydrophobicContact CG-CG 3.79Å; P165-K168 PolarHBondContact O-N 3.1Å; P165-M169 PolarHBondContact O-N 2.56Å; P165-M169 VanDerWaalsContact O-N 3.14Å; P165-W221 HydrophobicContact CB-CH2 4.11Å; P165-W221 HydrophobicContact CB-CZ3 4.41Å; P165-W221 HydrophobicContact CG-CH2 4.48Å
166	P	87.4	Confident	88.7	Confident	65 Å²	65	49.7 Å²	49.7	42%	0.422	26%	0.261	S	S	.	.	H	α-helix	trans	-49.5	-44	-177	-32.6	37	0	0	0	114.3	K168 M169 Q170	P166-K168 PolarHBondContact O-N 3.28Å; P166-K168 VanDerWaalsContact O-N 3.08Å; P166-M169 PolarHBondContact O-N 3.2Å; P166-Q170 HydrophobicContact CB-CG 4.41Å; P166-Q170 VanDerWaalsContact O-CB 3.31Å; P166-Q170 WeakPolarHBondContact O-CB 3.22Å; P166-Q170 PolarHBondContact O-N 3.27Å
167	N	88.3	Confident	88.9	Confident	104 Å²	104	46.4 Å²	46.4	56%	0.556	24%	0.239	S	C	*	.	H	α-helix	trans	-62	-18.3	-179.7	66	-14.4	0	0	0	114.6	P165	P165-N167 VanDerWaalsContact C-N 3.27Å; P165-N167 WeakPolarHBondContact CB-OD1 3.31Å; P165-N167 WeakPolarHBondContact CG-OD1 3.44Å; P165-N167 PolarHBondContact O-N 3.33Å; P165-N167 VanDerWaalsContact O-N 3.17Å
168	K	89.6	Confident	89	Confident	85 Å²	85	44.6 Å²	44.6	37%	0.37	23%	0.225	S	C	.	.	H	α-helix	trans	-100.2	-32.6	175.6	-62.8	-68.3	-177.8	179.6	0	112.4	P165 P166 G174 L176 L177	P165-K168 HydrophobicContact CG-CB 4.14Å; P165-K168 HydrophobicContact CG-CG 3.79Å; P165-K168 PolarHBondContact O-N 3.1Å; P166-K168 PolarHBondContact O-N 3.28Å; P166-K168 VanDerWaalsContact O-N 3.08Å; K168-G174 CarbonylContact O-C 3.59Å; K168-G174 WeakPolarHBondContact O-CA 3.27Å; K168-L176 HydrophobicContact CB-CD1 4.08Å; K168-L176 HydrophobicContact CB-CG 4.44Å; K168-L176 PolarHBondContact O-N 3.17Å; K168-L177 PolarHBondContact O-N 2.86Å
169	M	91.1	Very high	89	Confident	3 Å²	3	46.5 Å²	46.5	2%	0.015	24%	0.236	C	C	.	.	H	α-helix	trans	-112.1	1.8	-165.6	-64	-56.7	-60.7	0	0	114.6	H138 F162 P165 P166 L176 I180 A194	H138-M169 HydrophobicContact CB-CG 4.25Å; H138-M169 HydrophobicContact CB-SD 4.07Å; F162-M169 HydrophobicContact CB-CE 3.44Å; F162-M169 VanDerWaalsContact CB-CE 3.44Å; F162-M169 HydrophobicContact CG-CE 4.35Å; P165-M169 PolarHBondContact O-N 2.56Å; P165-M169 VanDerWaalsContact O-N 3.14Å; P166-M169 PolarHBondContact O-N 3.2Å; M169-L176 HydrophobicContact SD-CB 3.93Å; M169-L176 HydrophobicContact SD-CD1 4.34Å; M169-I180 HydrophobicContact CE-CD1 3.63Å; M169-I180 HydrophobicContact SD-CD1 4.33Å; M169-A194 HydrophobicContact CE-CB 4.24Å
170	Q	82.9	Confident	88.9	Confident	43 Å²	43	46.1 Å²	46.1	20%	0.201	23%	0.234	C	C	.	.	S	Bend	trans	-127.6	154.8	-177.1	-62.7	173.3	23.2	0	0	113.2	P166 G174 P197	P166-Q170 HydrophobicContact CB-CG 4.41Å; P166-Q170 VanDerWaalsContact O-CB 3.31Å; P166-Q170 WeakPolarHBondContact O-CB 3.22Å; P166-Q170 PolarHBondContact O-N 3.27Å; Q170-G174 WeakPolarHBondContact O-CA 3.43Å; Q170-G174 PolarHBondContact O-N 3.1Å; Q170-P197 VanDerWaalsContact NE2-CD 3.29Å; Q170-P197 VanDerWaalsContact NE2-CG 3.28Å
171	K	76.2	Confident	88.8	Confident	154 Å²	154	48 Å²	48	67%	0.67	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74.6	154.8	177.2	-66.1	-175.9	-179.1	174.2	0	111.3	L177	K171-L177 HydrophobicContact CB-CD2 4.47Å; K171-L177 HydrophobicContact CG-CD2 3.52Å
172	P	72.7	Confident	88.6	Confident	84 Å²	84	57 Å²	57	55%	0.545	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	cis	-86.8	-10.1	-9	31.9	-34.4	0	0	0	114.2	R178	P172-R178 PolarHBondContact O-NH2 2.9Å
173	Q	70.8	Confident	88.5	Confident	141 Å²	141	57.6 Å²	57.6	66%	0.659	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.9	-8.4	-170.4	-56.4	84.5	7.1	0	0	115.5	S175	Q173-S175 PolarHBondContact O-N 3.23Å
174	G	78.1	Confident	88.3	Confident	1 Å²	1	57.5 Å²	57.5	1%	0.01	28%	0.283	C	S	.	.			trans	-66.4	96.2	-175.8	0	0	0	0	0	113.5	K168 Q170 L176 L177 R178	K168-G174 CarbonylContact O-C 3.59Å; K168-G174 WeakPolarHBondContact O-CA 3.27Å; Q170-G174 WeakPolarHBondContact O-CA 3.43Å; Q170-G174 PolarHBondContact O-N 3.1Å; G174-L176 VanDerWaalsContact C-N 3.29Å; G174-L176 PolarHBondContact O-N 3.29Å; G174-L177 WeakPolarHBondContact O-CB 3.45Å; G174-L177 PolarHBondContact O-N 3.24Å; G174-R178 PolarHBondContact O-N 2.92Å
175	S	87.3	Confident	88.3	Confident	62 Å²	62	63.5 Å²	63.5	43%	0.434	31%	0.314	S	S	.	.	H	α-helix	trans	-62.3	-36.4	-179.4	62.2	0	0	0	0	112.7	Q173 V179	Q173-S175 PolarHBondContact O-N 3.23Å; S175-V179 WeakPolarHBondContact O-CG2 3.39Å; S175-V179 PolarHBondContact O-N 3.49Å
176	L	92.9	Very high	88.5	Confident	11 Å²	11	69.4 Å²	69.4	6%	0.058	34%	0.342	C	S	.	.	H	α-helix	trans	-74.5	-35.5	178	-64	-179.4	0	0	0	112.1	H138 V141 F142 K168 M169 G174 R178 V179 I180	H138-L176 HydrophobicContact CB-CD1 3.67Å; H138-L176 WeakPolarHBondContact O-CD1 2.95Å; V141-L176 HydrophobicContact CB-CD2 4.42Å; V141-L176 HydrophobicContact CG1-CD2 4.34Å; V141-L176 HydrophobicContact CG2-CD1 4.37Å; F142-L176 HydrophobicContact CD2-CD2 4.03Å; F142-L176 HydrophobicContact CE2-CD2 3.38Å; F142-L176 HydrophobicContact CZ-CD2 3.79Å; K168-L176 HydrophobicContact CB-CD1 4.08Å; K168-L176 HydrophobicContact CB-CG 4.44Å; K168-L176 PolarHBondContact O-N 3.17Å; M169-L176 HydrophobicContact SD-CB 3.93Å; M169-L176 HydrophobicContact SD-CD1 4.34Å; G174-L176 VanDerWaalsContact C-N 3.29Å; G174-L176 PolarHBondContact O-N 3.29Å; L176-R178 VanDerWaalsContact C-N 3.26Å; L176-R178 PolarHBondContact O-N 3.12Å; L176-V179 WeakPolarHBondContact O-CB 3.44Å; L176-V179 PolarHBondContact O-N 3.23Å; L176-I180 VanDerWaalsContact O-CG1 3.31Å; L176-I180 WeakPolarHBondContact O-CG1 3.24Å; L176-I180 PolarHBondContact O-N 3.29Å
177	L	92.8	Very high	88.8	Confident	4 Å²	4	68.3 Å²	68.3	2%	0.021	33%	0.331	C	S	.	.	H	α-helix	trans	-54.7	-45.9	173.9	-174.7	67.1	0	0	0	111.1	F73 I75 K168 K171 G174 V179 I180 Q181	F73-L177 HydrophobicContact CE2-CD1 4.26Å; I75-L177 HydrophobicContact CD1-CD1 3.35Å; I75-L177 HydrophobicContact CG2-CD1 4.35Å; K168-L177 PolarHBondContact O-N 2.86Å; K171-L177 HydrophobicContact CB-CD2 4.47Å; K171-L177 HydrophobicContact CG-CD2 3.52Å; G174-L177 WeakPolarHBondContact O-CB 3.45Å; G174-L177 PolarHBondContact O-N 3.24Å; L177-V179 VanDerWaalsContact C-N 3.32Å; L177-V179 PolarHBondContact O-N 3.35Å; L177-I180 PolarHBondContact O-N 3.41Å; L177-Q181 VanDerWaalsContact O-CG 3.3Å; L177-Q181 WeakPolarHBondContact O-CG 3.29Å; L177-Q181 PolarHBondContact O-N 2.77Å
178	R	92.7	Very high	88.7	Confident	140 Å²	140	68.8 Å²	68.8	53%	0.528	34%	0.339	S	S	.	.	H	α-helix	trans	-63.5	-36	177.1	-62.1	-178.1	-168.2	-163.5	3.1	112.7	P172 G174 L176 R182	P172-R178 PolarHBondContact O-NH2 2.9Å; G174-R178 PolarHBondContact O-N 2.92Å; L176-R178 VanDerWaalsContact C-N 3.26Å; L176-R178 PolarHBondContact O-N 3.12Å; R178-R182 WeakPolarHBondContact O-CG 3.37Å; R178-R182 PolarHBondContact O-N 3.07Å
179	V	94.5	Very high	88.7	Confident	40 Å²	40	70.7 Å²	70.7	24%	0.242	35%	0.354	C	S	.	.	H	α-helix	trans	-65.1	-45.5	175.9	173.6	0	0	0	0	110.6	V141 F142 L145 S175 L176 L177 Q181 R182 A183	V141-V179 HydrophobicContact CG1-CG1 4.45Å; F142-V179 HydrophobicContact CD1-CG1 4.37Å; F142-V179 HydrophobicContact CE1-CG1 3.92Å; F142-V179 HydrophobicContact CE1-CG2 3.97Å; F142-V179 HydrophobicContact CZ-CG2 4.08Å; L145-V179 HydrophobicContact CD1-CG1 4.01Å; S175-V179 WeakPolarHBondContact O-CG2 3.39Å; S175-V179 PolarHBondContact O-N 3.49Å; L176-V179 WeakPolarHBondContact O-CB 3.44Å; L176-V179 PolarHBondContact O-N 3.23Å; L177-V179 VanDerWaalsContact C-N 3.32Å; L177-V179 PolarHBondContact O-N 3.35Å; V179-Q181 VanDerWaalsContact C-N 3.34Å; V179-Q181 PolarHBondContact O-N 3.42Å; V179-R182 PolarHBondContact O-N 2.88Å; V179-A183 PolarHBondContact O-N 3.35Å
180	I	95.4	Very high	88.7	Confident	0 Å²	0	71.3 Å²	71.3	0%	0	36%	0.357	C	S	.	.	H	α-helix	trans	-65.1	-40.8	178.5	-58	158.6	0	0	0	110.3	I75 V141 L145 F162 M169 L176 L177 R182 A183 G184 M190 A192	I75-I180 HydrophobicContact CB-CG2 4.45Å; I75-I180 HydrophobicContact CG1-CG2 4.14Å; I75-I180 HydrophobicContact CG2-CB 4.29Å; I75-I180 HydrophobicContact CG2-CG2 3.9Å; V141-I180 HydrophobicContact CG1-CD1 4.26Å; V141-I180 HydrophobicContact CG1-CG1 3.8Å; V141-I180 HydrophobicContact CG2-CD1 4.15Å; L145-I180 HydrophobicContact CD1-CG1 4.03Å; F162-I180 HydrophobicContact CB-CD1 4.15Å; F162-I180 HydrophobicContact CD1-CD1 3.71Å; F162-I180 HydrophobicContact CD1-CG1 4.31Å; F162-I180 HydrophobicContact CD2-CD1 4Å; F162-I180 HydrophobicContact CD2-CG2 3.95Å; F162-I180 HydrophobicContact CE1-CD1 4.05Å; F162-I180 HydrophobicContact CE1-CG1 4.13Å; F162-I180 HydrophobicContact CE2-CD1 4.32Å; F162-I180 HydrophobicContact CE2-CG1 4.38Å; F162-I180 HydrophobicContact CE2-CG2 3.48Å; F162-I180 VanDerWaalsContact CE2-CG2 3.48Å; F162-I180 HydrophobicContact CG-CD1 3.69Å; F162-I180 HydrophobicContact CZ-CD1 4.35Å; F162-I180 HydrophobicContact CZ-CG1 4.17Å; F162-I180 HydrophobicContact CZ-CG2 3.87Å; M169-I180 HydrophobicContact CE-CD1 3.63Å; M169-I180 HydrophobicContact SD-CD1 4.33Å; L176-I180 VanDerWaalsContact O-CG1 3.31Å; L176-I180 WeakPolarHBondContact O-CG1 3.24Å; L176-I180 PolarHBondContact O-N 3.29Å; L177-I180 PolarHBondContact O-N 3.41Å; I180-R182 PolarHBondContact O-N 3.09Å; I180-A183 WeakPolarHBondContact O-CB 3.5Å; I180-A183 PolarHBondContact O-N 3.42Å; I180-G184 PolarHBondContact O-N 3.05Å; I180-M190 HydrophobicContact CG2-CE 4.46Å; I180-A192 HydrophobicContact CG2-CB 4.19Å
181	Q	94.2	Very high	89.2	Confident	42 Å²	42	71.9 Å²	71.9	20%	0.196	36%	0.359	C	S	.	.	H	α-helix	trans	-59.1	-45.6	174.3	-73.9	179.2	-39.8	0	0	112.1	I75 L76 L177 V179 A183 G184 L185	I75-Q181 HydrophobicContact CG2-CB 4.31Å; I75-Q181 HydrophobicContact CG2-CG 3.37Å; I75-Q181 PolarHBondContact O-NE2 3.16Å; L76-Q181 HydrophobicContact CD2-CB 4.2Å; L76-Q181 HydrophobicContact CD2-CG 4.13Å; L177-Q181 VanDerWaalsContact O-CG 3.3Å; L177-Q181 WeakPolarHBondContact O-CG 3.29Å; L177-Q181 PolarHBondContact O-N 2.77Å; V179-Q181 VanDerWaalsContact C-N 3.34Å; V179-Q181 PolarHBondContact O-N 3.42Å; Q181-A183 VanDerWaalsContact C-N 3.3Å; Q181-A183 PolarHBondContact O-N 3.31Å; Q181-G184 PolarHBondContact O-N 3.12Å; Q181-L185 WeakPolarHBondContact O-CG 3.16Å; Q181-L185 PolarHBondContact O-N 3.18Å
182	R	94.4	Very high	90.1	Very high	189 Å²	189	65.1 Å²	65.1	71%	0.713	33%	0.332	S	S	*	.	H	α-helix	trans	-61.5	-39	175.8	-73.7	176.4	-177.1	178.7	-0.4	112.2	R178 V179 I180 L185 M186	R178-R182 WeakPolarHBondContact O-CG 3.37Å; R178-R182 PolarHBondContact O-N 3.07Å; V179-R182 PolarHBondContact O-N 2.88Å; I180-R182 PolarHBondContact O-N 3.09Å; R182-L185 PolarHBondContact O-N 3.03Å; R182-M186 PolarHBondContact O-N 3.2Å; R182-M186 VanDerWaalsContact O-N 3.16Å
183	A	95	Very high	91.2	Very high	12 Å²	12	61.3 Å²	61.3	10%	0.099	31%	0.306	C	S	.	.	H	α-helix	trans	-64.3	-46.8	175.2	0	0	0	0	0	111.6	L145 V179 I180 Q181 L185 M186 F187 M190	L145-A183 HydrophobicContact CD1-CB 3.9Å; L145-A183 HydrophobicContact CD2-CB 3.94Å; L145-A183 HydrophobicContact CG-CB 4.39Å; V179-A183 PolarHBondContact O-N 3.35Å; I180-A183 WeakPolarHBondContact O-CB 3.5Å; I180-A183 PolarHBondContact O-N 3.42Å; Q181-A183 VanDerWaalsContact C-N 3.3Å; Q181-A183 PolarHBondContact O-N 3.31Å; A183-L185 VanDerWaalsContact C-N 3.26Å; A183-L185 PolarHBondContact O-N 2.98Å; A183-M186 CarbonylContact O-C 3.58Å; A183-M186 WeakPolarHBondContact O-CA 2.88Å; A183-M186 WeakPolarHBondContact O-CB 3.32Å; A183-M186 PolarHBondContact O-N 3.43Å; A183-F187 VanDerWaalsContact O-CD2 3.27Å; A183-F187 WeakPolarHBondContact O-CD2 3.33Å; A183-F187 PolarHBondContact O-N 3.45Å; A183-M190 HydrophobicContact CB-SD 4.32Å
184	G	93.8	Very high	92.4	Very high	6 Å²	6	54.6 Å²	54.6	6%	0.062	28%	0.276	C	S	.	.	H	α-helix	trans	-64.3	-28.1	177.7	0	0	0	0	0	113.8	L76 I180 Q181 M186 F187	L76-G184 VanDerWaalsContact CD1-CA 3.46Å; I180-G184 PolarHBondContact O-N 3.05Å; Q181-G184 PolarHBondContact O-N 3.12Å; G184-M186 VanDerWaalsContact C-N 3.33Å; G184-F187 CarbonylContact O-C 3.5Å; G184-F187 VanDerWaalsContact O-O 3.13Å
185	L	93.9	Very high	93.2	Very high	130 Å²	130	54.8 Å²	54.8	68%	0.681	28%	0.276	S	S	*	.	H	α-helix	trans	-70.9	-28.8	170.4	-68.5	173.4	0	0	0	112.7	L76 Q181 R182 A183	L76-L185 HydrophobicContact CD1-CD2 4.33Å; L76-L185 HydrophobicContact CD1-CG 4.24Å; L76-L185 HydrophobicContact CD2-CD2 4.43Å; L76-L185 HydrophobicContact CD2-CG 4.46Å; Q181-L185 WeakPolarHBondContact O-CG 3.16Å; Q181-L185 PolarHBondContact O-N 3.18Å; R182-L185 PolarHBondContact O-N 3.03Å; A183-L185 VanDerWaalsContact C-N 3.26Å; A183-L185 PolarHBondContact O-N 2.98Å
186	M	94.1	Very high	93.4	Very high	141 Å²	141	52.5 Å²	52.5	70%	0.695	26%	0.26	S	S	*	.	H	α-helix	trans	-83.6	-27.9	177.4	-175.6	177.1	-68.4	0	0	112.7	R182 A183 G184 P188	R182-M186 PolarHBondContact O-N 3.2Å; R182-M186 VanDerWaalsContact O-N 3.16Å; A183-M186 CarbonylContact O-C 3.58Å; A183-M186 WeakPolarHBondContact O-CA 2.88Å; A183-M186 WeakPolarHBondContact O-CB 3.32Å; A183-M186 PolarHBondContact O-N 3.43Å; G184-M186 VanDerWaalsContact C-N 3.33Å; M186-P188 WeakPolarHBondContact O-CD 3.45Å
187	F	93.3	Very high	93.4	Very high	43 Å²	43	54.8 Å²	54.8	19%	0.189	28%	0.276	C	S	.	.	S	Bend	trans	-121.2	84.7	179.2	-59.3	-75.6	0	0	0	109.1	P148 V152 A183 G184 N189 M190	P148-F187 HydrophobicContact CB-CE1 3.84Å; P148-F187 HydrophobicContact CB-CE2 3.9Å; P148-F187 HydrophobicContact CB-CZ 3.33Å; P148-F187 HydrophobicContact CG-CZ 3.8Å; V152-F187 HydrophobicContact CG1-CB 3.94Å; V152-F187 HydrophobicContact CG1-CD1 4.07Å; V152-F187 HydrophobicContact CG1-CD2 4.33Å; V152-F187 HydrophobicContact CG1-CG 3.85Å; A183-F187 VanDerWaalsContact O-CD2 3.27Å; A183-F187 WeakPolarHBondContact O-CD2 3.33Å; A183-F187 PolarHBondContact O-N 3.45Å; G184-F187 CarbonylContact O-C 3.5Å; G184-F187 VanDerWaalsContact O-O 3.13Å; F187-N189 PolarHBondContact O-N 3.19Å; F187-N189 VanDerWaalsContact O-N 3.08Å; F187-M190 HydrophobicContact CB-CB 3.91Å; F187-M190 WeakPolarHBondContact O-CB 3.46Å; F187-M190 PolarHBondContact O-N 2.98Å
188	P	87.1	Confident	93.4	Very high	113 Å²	113	57.4 Å²	57.4	73%	0.734	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.6	-24.2	-170.5	-26.4	35.2	0	0	0	115.3	M186 M190	M186-P188 WeakPolarHBondContact O-CD 3.45Å; P188-M190 VanDerWaalsContact C-N 3.32Å
189	N	88.7	Confident	93.4	Very high	126 Å²	126	51 Å²	51	67%	0.674	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.5	-7.9	176.5	-63.1	-19.8	0	0	0	113	F187 E191	F187-N189 PolarHBondContact O-N 3.19Å; F187-N189 VanDerWaalsContact O-N 3.08Å; N189-E191 PolarHBondContact O-N 3.41Å; N189-E191 VanDerWaalsContact O-N 3.11Å
190	M	92.4	Very high	93.4	Very high	16 Å²	16	49.8 Å²	49.8	8%	0.079	27%	0.266	C	S	.	.			trans	-70.3	107.4	179.2	-176.3	-172.2	175.6	0	0	110	L145 V152 F160 F162 I180 A183 F187 P188 A192	L145-M190 HydrophobicContact CD2-CE 3.8Å; L145-M190 HydrophobicContact CD2-SD 4.43Å; V152-M190 HydrophobicContact CG1-CB 4.39Å; F160-M190 HydrophobicContact CB-CE 4.28Å; F160-M190 HydrophobicContact CD1-CE 4.33Å; F160-M190 HydrophobicContact CD2-CE 3.72Å; F160-M190 HydrophobicContact CD2-CG 3.82Å; F160-M190 HydrophobicContact CE2-CE 4.06Å; F160-M190 HydrophobicContact CE2-CG 3.85Å; F160-M190 HydrophobicContact CG-CE 3.86Å; F160-M190 HydrophobicContact CZ-CE 4.46Å; F162-M190 HydrophobicContact CE2-CE 3.97Å; F162-M190 HydrophobicContact CZ-CE 3.85Å; I180-M190 HydrophobicContact CG2-CE 4.46Å; A183-M190 HydrophobicContact CB-SD 4.32Å; F187-M190 HydrophobicContact CB-CB 3.91Å; F187-M190 WeakPolarHBondContact O-CB 3.46Å; F187-M190 PolarHBondContact O-N 2.98Å; P188-M190 VanDerWaalsContact C-N 3.32Å; M190-A192 HydrophobicContact CE-CB 4.12Å
191	E	93.9	Very high	93.3	Very high	55 Å²	55	55.6 Å²	55.6	26%	0.257	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	120.2	170.2	-60.2	-155.1	164.4	0	0	110.2	K79 V159 F160 N189 Y193	K79-E191 IonicContact NZ-OE1 3.67Å; K79-E191 PolarHBondContact NZ-OE1 3.37Å; V159-E191 HydrophobicContact CG2-CB 4.21Å; F160-E191 PolarHBondContact N-O 2.8Å; N189-E191 PolarHBondContact O-N 3.41Å; N189-E191 VanDerWaalsContact O-N 3.11Å; E191-Y193 HydrophobicContact CB-CE2 4.25Å
192	A	94.8	Very high	93.3	Very high	11 Å²	11	57.2 Å²	57.2	9%	0.091	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	131	-173.5	0	0	0	0	0	111.7	I75 F160 F162 I180 M190	I75-A192 HydrophobicContact CB-CB 4.03Å; I75-A192 WeakPolarHBondContact CB-O 3.1Å; I75-A192 HydrophobicContact CG1-CB 3.95Å; I75-A192 WeakPolarHBondContact CG1-O 3.13Å; I75-A192 PolarHBondContact N-O 3.05Å; F160-A192 HydrophobicContact CB-CB 4.5Å; F160-A192 WeakPolarHBondContact O-CA 3.37Å; F162-A192 HydrophobicContact CD2-CB 4.5Å; F162-A192 HydrophobicContact CE2-CB 3.99Å; I180-A192 HydrophobicContact CG2-CB 4.19Å; M190-A192 HydrophobicContact CE-CB 4.12Å
193	Y	95.2	Very high	93.3	Very high	4 Å²	4	48.2 Å²	48.2	2%	0.016	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	152.3	178.9	-60.6	-97.3	0	0	0	110	F73 P74 K79 T80 L81 V159 F160 F162 E191	F73-Y193 CarbonylContact O-C 3.37Å; F73-Y193 VanDerWaalsContact O-CA 3.3Å; F73-Y193 WeakPolarHBondContact O-CA 3.41Å; P74-Y193 HydrophobicContact CB-CD1 4.23Å; P74-Y193 HydrophobicContact CB-CE1 4.09Å; K79-Y193 WeakPolarHBondContact CB-OH 3.43Å; K79-Y193 WeakPolarHBondContact O-CE1 3.4Å; T80-Y193 VanDerWaalsContact C-CE1 3.45Å; T80-Y193 PolarHBondContact O-OH 3.3Å; L81-Y193 HydrophobicContact CB-CD1 4.17Å; L81-Y193 HydrophobicContact CB-CE1 4.08Å; L81-Y193 HydrophobicContact CD1-CD1 4.12Å; L81-Y193 HydrophobicContact CD1-CD2 3.38Å; L81-Y193 HydrophobicContact CD1-CE1 4.35Å; L81-Y193 HydrophobicContact CD1-CE2 3.69Å; L81-Y193 HydrophobicContact CD1-CG 3.63Å; V159-Y193 HydrophobicContact CG1-CD2 3.74Å; V159-Y193 HydrophobicContact CG1-CE2 3.72Å; F160-Y193 PolarHBondContact O-N 3.37Å; F162-Y193 WeakPolarHBondContact CD2-O 3.44Å; F162-Y193 PolarHBondContact N-O 3.31Å; E191-Y193 HydrophobicContact CB-CE2 4.25Å
194	A	95	Very high	93.2	Very high	1 Å²	1	48.7 Å²	48.7	1%	0.008	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	144.7	167.1	0	0	0	0	0	111.3	Y72 F73 I75 F162 M169 S196	Y72-A194 WeakPolarHBondContact CA-O 3.43Å; F73-A194 HydrophobicContact CD1-CB 4.32Å; F73-A194 WeakPolarHBondContact CD1-O 3.37Å; F73-A194 HydrophobicContact CD2-CB 4.49Å; F73-A194 HydrophobicContact CE1-CB 3.65Å; F73-A194 HydrophobicContact CE2-CB 3.85Å; F73-A194 HydrophobicContact CZ-CB 3.4Å; F73-A194 PolarHBondContact N-O 3.45Å; F73-A194 PolarHBondContact O-N 2.96Å; I75-A194 HydrophobicContact CD1-CB 3.45Å; I75-A194 VanDerWaalsContact CD1-CB 3.45Å; F162-A194 CarbonylContact O-C 3.54Å; F162-A194 VanDerWaalsContact O-CA 3.27Å; F162-A194 WeakPolarHBondContact O-CA 3.29Å; M169-A194 HydrophobicContact CE-CB 4.24Å; A194-S196 PolarHBondContact O-N 2.95Å
195	V	95.3	Very high	93.2	Very high	5 Å²	5	51.4 Å²	51.4	3%	0.03	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.4	129.1	172.8	-175.4	0	0	0	0	109.3	Y72 I161 F162 W163 R199 M200 F203	Y72-V195 HydrophobicContact CD1-CG2 4.07Å; Y72-V195 HydrophobicContact CE1-CG2 3.95Å; I161-V195 HydrophobicContact CG2-CG2 4.17Å; F162-V195 PolarHBondContact O-N 3.07Å; W163-V195 HydrophobicContact CB-CB 4.26Å; W163-V195 HydrophobicContact CB-CG2 3.65Å; V195-R199 HydrophobicContact CG1-CB 3.74Å; V195-R199 HydrophobicContact CG1-CG 3.62Å; V195-M200 HydrophobicContact CB-CG 4.26Å; V195-M200 HydrophobicContact CB-SD 3.95Å; V195-M200 HydrophobicContact CG1-CG 3.78Å; V195-M200 HydrophobicContact CG1-SD 3.7Å; V195-F203 HydrophobicContact CG1-CD2 4.21Å; V195-F203 HydrophobicContact CG1-CE2 3.67Å; V195-F203 HydrophobicContact CG2-CE2 4.41Å
196	S	92.9	Very high	93.3	Very high	13 Å²	13	45.5 Å²	45.5	9%	0.091	25%	0.249	C	C	.	.			trans	-69.5	153.9	179.9	76.5	0	0	0	0	111.8	S70 A71 A194 A198 R199 M200	S70-S196 WeakPolarHBondContact O-CB 3.31Å; S70-S196 PolarHBondContact O-OG 3.38Å; A71-S196 WeakPolarHBondContact O-CB 3.3Å; A71-S196 PolarHBondContact O-N 2.97Å; A71-S196 PolarHBondContact O-OG 2.96Å; A194-S196 PolarHBondContact O-N 2.95Å; S196-A198 VanDerWaalsContact C-N 3.27Å; S196-A198 PolarHBondContact O-N 3.36Å; S196-R199 PolarHBondContact O-N 3.25Å; S196-R199 WeakPolarHBondContact OG-CB 3.39Å; S196-R199 PolarHBondContact OG-N 3.29Å; S196-M200 WeakPolarHBondContact O-CG 3.36Å; S196-M200 PolarHBondContact O-N 3.06Å
197	P	92.2	Very high	93.3	Very high	60 Å²	60	38.8 Å²	38.8	39%	0.39	22%	0.216	S	C	.	.	H	α-helix	trans	-54.7	-42.2	176.6	6.2	-16.2	0	0	0	113.1	Q170 R199 M200 Q201	Q170-P197 VanDerWaalsContact NE2-CD 3.29Å; Q170-P197 VanDerWaalsContact NE2-CG 3.28Å; P197-R199 VanDerWaalsContact C-N 3.32Å; P197-R199 PolarHBondContact O-N 2.97Å; P197-M200 WeakPolarHBondContact O-CB 3.37Å; P197-M200 PolarHBondContact O-N 2.72Å; P197-Q201 PolarHBondContact O-N 3.14Å
198	A	92.6	Very high	93.3	Very high	58 Å²	58	42.2 Å²	42.2	48%	0.479	23%	0.228	S	C	.	.	H	α-helix	trans	-62.2	-41.2	177.1	0	0	0	0	0	111.4	S196 Q201 Q202	S196-A198 VanDerWaalsContact C-N 3.27Å; S196-A198 PolarHBondContact O-N 3.36Å; A198-Q201 PolarHBondContact O-N 2.65Å; A198-Q202 WeakPolarHBondContact O-CG 3.15Å; A198-Q202 PolarHBondContact O-N 3.07Å
199	R	93.6	Very high	93.6	Very high	5 Å²	5	38.7 Å²	38.7	2%	0.019	21%	0.213	C	C	.	.	H	α-helix	trans	-69.5	-37.4	176.9	-177.1	51	52.2	110.9	-0.3	112.7	W66 S67 A71 V195 S196 P197 Q201 Q202 F203 E234	W66-R199 VanDerWaalsContact CE3-NH1 3.31Å; S67-R199 PolarHBondContact O-NH2 3.29Å; A71-R199 HydrophobicContact CB-CB 4.37Å; A71-R199 HydrophobicContact CB-CG 4.16Å; A71-R199 VanDerWaalsContact CB-CZ 3.42Å; A71-R199 WeakPolarHBondContact O-CB 3.42Å; V195-R199 HydrophobicContact CG1-CB 3.74Å; V195-R199 HydrophobicContact CG1-CG 3.62Å; S196-R199 PolarHBondContact O-N 3.25Å; S196-R199 WeakPolarHBondContact OG-CB 3.39Å; S196-R199 PolarHBondContact OG-N 3.29Å; P197-R199 VanDerWaalsContact C-N 3.32Å; P197-R199 PolarHBondContact O-N 2.97Å; R199-Q201 VanDerWaalsContact C-N 3.32Å; R199-Q201 PolarHBondContact O-N 3.05Å; R199-Q202 PolarHBondContact O-N 3.26Å; R199-F203 HydrophobicContact CG-CD2 4.18Å; R199-F203 HydrophobicContact CG-CE1 4.32Å; R199-F203 HydrophobicContact CG-CE2 3.63Å; R199-F203 HydrophobicContact CG-CZ 3.72Å; R199-F203 VanDerWaalsContact O-CD2 3.3Å; R199-F203 WeakPolarHBondContact O-CD2 3.46Å; R199-F203 WeakPolarHBondContact O-CG 3.3Å; R199-F203 PolarHBondContact O-N 2.93Å; R199-E234 IonicContact CZ-OE1 3.82Å; R199-E234 IonicContact NH1-OE1 2.97Å; R199-E234 PolarHBondContact NH1-OE1 3.16Å; R199-E234 IonicContact NH1-OE2 3.82Å; R199-E234 PolarHBondContact NH1-OE2 2.82Å; R199-E234 VanDerWaalsContact NH1-OE2 3.13Å
200	M	94.4	Very high	93.8	Very high	16 Å²	16	34.7 Å²	34.7	8%	0.079	19%	0.19	C	C	.	.	H	α-helix	trans	-55.4	-49.3	171.2	-72.9	-64	-56.6	0	0	110.8	W163 V195 S196 P197 Q202 F203 D204 F227	W163-M200 HydrophobicContact CB-SD 4.17Å; W163-M200 HydrophobicContact CE3-CE 3.98Å; V195-M200 HydrophobicContact CB-CG 4.26Å; V195-M200 HydrophobicContact CB-SD 3.95Å; V195-M200 HydrophobicContact CG1-CG 3.78Å; V195-M200 HydrophobicContact CG1-SD 3.7Å; S196-M200 WeakPolarHBondContact O-CG 3.36Å; S196-M200 PolarHBondContact O-N 3.06Å; P197-M200 WeakPolarHBondContact O-CB 3.37Å; P197-M200 PolarHBondContact O-N 2.72Å; M200-Q202 VanDerWaalsContact C-N 3.33Å; M200-Q202 PolarHBondContact O-N 3.42Å; M200-F203 PolarHBondContact O-N 2.58Å; M200-D204 PolarHBondContact O-N 2.81Å; M200-D204 VanDerWaalsContact O-OD2 3.09Å; M200-F227 HydrophobicContact CE-CE1 3.69Å; M200-F227 HydrophobicContact CE-CZ 3.67Å; M200-F227 HydrophobicContact SD-CD1 4.49Å; M200-F227 HydrophobicContact SD-CE1 3.61Å; M200-F227 HydrophobicContact SD-CZ 4.21Å
201	Q	92.6	Very high	93.8	Very high	121 Å²	121	35.2 Å²	35.2	57%	0.565	19%	0.194	S	C	*	.	H	α-helix	trans	-61.3	-40.4	176.5	-174.7	175.7	4.7	0	0	112.4	P197 A198 R199 F203 D204 D205	P197-Q201 PolarHBondContact O-N 3.14Å; A198-Q201 PolarHBondContact O-N 2.65Å; R199-Q201 VanDerWaalsContact C-N 3.32Å; R199-Q201 PolarHBondContact O-N 3.05Å; Q201-F203 VanDerWaalsContact C-N 3.33Å; Q201-F203 PolarHBondContact O-N 3.1Å; Q201-D204 WeakPolarHBondContact O-CB 3.34Å; Q201-D204 PolarHBondContact O-N 2.52Å; Q201-D204 VanDerWaalsContact O-N 3.12Å; Q201-D205 PolarHBondContact O-N 2.91Å
202	Q	93.5	Very high	93.7	Very high	77 Å²	77	35.9 Å²	35.9	36%	0.36	22%	0.215	S	C	.	.	H	α-helix	trans	-62.3	-37.2	176.1	-74.3	176	-43.1	0	0	112.8	W66 A198 R199 M200 D204 D205 L206	W66-Q202 HydrophobicContact CH2-CB 4.01Å; W66-Q202 HydrophobicContact CZ3-CB 4.29Å; A198-Q202 WeakPolarHBondContact O-CG 3.15Å; A198-Q202 PolarHBondContact O-N 3.07Å; R199-Q202 PolarHBondContact O-N 3.26Å; M200-Q202 VanDerWaalsContact C-N 3.33Å; M200-Q202 PolarHBondContact O-N 3.42Å; Q202-D204 VanDerWaalsContact C-N 3.27Å; Q202-D204 PolarHBondContact O-N 2.88Å; Q202-D205 PolarHBondContact O-N 3.45Å; Q202-L206 VanDerWaalsContact O-CB 3.28Å; Q202-L206 WeakPolarHBondContact O-CB 3.34Å; Q202-L206 PolarHBondContact O-N 3.48Å
203	F	95	Very high	93.3	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-64	-34.6	174.1	-67.5	-42.3	0	0	0	112.3	W66 V195 R199 M200 Q201 F207 L222 W226 F227 V230 I231	W66-F203 AromaticContact CZ3-CD1 3.99Å; W66-F203 HydrophobicContact CZ3-CD1 3.99Å; W66-F203 AromaticContact CZ3-CE1 3.99Å; W66-F203 HydrophobicContact CZ3-CE1 3.99Å; V195-F203 HydrophobicContact CG1-CD2 4.21Å; V195-F203 HydrophobicContact CG1-CE2 3.67Å; V195-F203 HydrophobicContact CG2-CE2 4.41Å; R199-F203 HydrophobicContact CG-CD2 4.18Å; R199-F203 HydrophobicContact CG-CE1 4.32Å; R199-F203 HydrophobicContact CG-CE2 3.63Å; R199-F203 HydrophobicContact CG-CZ 3.72Å; R199-F203 VanDerWaalsContact O-CD2 3.3Å; R199-F203 WeakPolarHBondContact O-CD2 3.46Å; R199-F203 WeakPolarHBondContact O-CG 3.3Å; R199-F203 PolarHBondContact O-N 2.93Å; M200-F203 PolarHBondContact O-N 2.58Å; Q201-F203 VanDerWaalsContact C-N 3.33Å; Q201-F203 PolarHBondContact O-N 3.1Å; F203-F207 PolarHBondContact O-N 2.78Å; F203-L222 HydrophobicContact CB-CD1 4.21Å; F203-W226 PolarHBondContact O-NE1 3.2Å; F203-F227 HydrophobicContact CB-CE1 4.19Å; F203-F227 AromaticContact CD2-CD1 3.39Å; F203-F227 HydrophobicContact CD2-CD1 3.39Å; F203-F227 AromaticContact CD2-CE1 3.41Å; F203-F227 HydrophobicContact CD2-CE1 3.41Å; F203-F227 VanDerWaalsContact CD2-CE1 3.41Å; F203-F227 AromaticContact CE2-CD1 3.58Å; F203-F227 HydrophobicContact CE2-CD1 3.58Å; F203-F227 HydrophobicContact CE2-CE1 4.03Å; F203-F227 HydrophobicContact CG-CD1 4.13Å; F203-F227 HydrophobicContact CG-CE1 4.12Å; F203-V230 HydrophobicContact CD1-CB 4.06Å; F203-V230 HydrophobicContact CD1-CG1 3.77Å; F203-V230 HydrophobicContact CD1-CG2 4.29Å; F203-V230 HydrophobicContact CE1-CB 3.72Å; F203-V230 HydrophobicContact CE1-CG1 3.37Å; F203-V230 HydrophobicContact CE1-CG2 4.45Å; F203-V230 HydrophobicContact CZ-CG1 4.5Å; F203-I231 HydrophobicContact CZ-CG1 4.2Å
204	D	93.9	Very high	93	Very high	21 Å²	21	40.8 Å²	40.8	11%	0.112	24%	0.237	C	C	.	.	H	α-helix	trans	-72.6	-43.9	177.8	-53.4	-41.8	0	0	0	112.1	M200 Q201 Q202 L206 F207 R208 R215 L222	M200-D204 PolarHBondContact O-N 2.81Å; M200-D204 VanDerWaalsContact O-OD2 3.09Å; Q201-D204 WeakPolarHBondContact O-CB 3.34Å; Q201-D204 PolarHBondContact O-N 2.52Å; Q201-D204 VanDerWaalsContact O-N 3.12Å; Q202-D204 VanDerWaalsContact C-N 3.27Å; Q202-D204 PolarHBondContact O-N 2.88Å; D204-L206 VanDerWaalsContact C-N 3.27Å; D204-L206 PolarHBondContact O-N 2.91Å; D204-F207 PolarHBondContact O-N 3.12Å; D204-R208 WeakPolarHBondContact O-CB 3.35Å; D204-R208 PolarHBondContact O-N 2.72Å; D204-R215 VanDerWaalsContact CG-NH2 3.35Å; D204-R215 VanDerWaalsContact OD1-CD 3.29Å; D204-R215 WeakPolarHBondContact OD1-CD 3.35Å; D204-R215 IonicContact OD1-CZ 3.51Å; D204-R215 IonicContact OD1-NE 3.93Å; D204-R215 PolarHBondContact OD1-NE 3.16Å; D204-R215 IonicContact OD1-NH2 3.71Å; D204-R215 IonicContact OD2-CZ 3.41Å; D204-R215 IonicContact OD2-NE 3.81Å; D204-R215 PolarHBondContact OD2-NE 3.47Å; D204-R215 IonicContact OD2-NH2 2.66Å; D204-R215 PolarHBondContact OD2-NH2 3.43Å; D204-L222 WeakPolarHBondContact OD1-CD1 3.41Å
205	D	93.8	Very high	92.6	Very high	64 Å²	64	43 Å²	43	34%	0.342	25%	0.245	S	C	.	.	H	α-helix	trans	-62.7	-37.4	175.2	-77.8	-30.2	0	0	0	111.6	Q201 Q202 R208 G209	Q201-D205 PolarHBondContact O-N 2.91Å; Q202-D205 PolarHBondContact O-N 3.45Å; D205-R208 IonicContact OD1-CZ 2.79Å; D205-R208 IonicContact OD1-NE 3.2Å; D205-R208 IonicContact OD1-NH2 3.51Å; D205-R208 PolarHBondContact OD1-NH2 2.79Å; D205-G209 PolarHBondContact O-N 3.02Å
206	L	94.5	Very high	92	Very high	5 Å²	5	48.4 Å²	48.4	3%	0.026	27%	0.269	C	S	.	.	H	α-helix	trans	-62.7	-51.3	173.4	-178.6	64.2	0	0	0	110.8	V61 L63 W66 Q202 D204 R208 G209 E210 W226 V230 W299	V61-L206 HydrophobicContact CB-CD1 3.89Å; V61-L206 HydrophobicContact CG1-CD1 4.35Å; V61-L206 HydrophobicContact CG2-CD1 4.01Å; L63-L206 HydrophobicContact CD1-CD2 4.46Å; L63-L206 HydrophobicContact CD2-CD1 4.12Å; L63-L206 HydrophobicContact CD2-CD2 3.66Å; W66-L206 HydrophobicContact CH2-CB 4.13Å; W66-L206 HydrophobicContact CH2-CD2 3.88Å; W66-L206 HydrophobicContact CH2-CG 4.48Å; W66-L206 HydrophobicContact CZ2-CD2 4.4Å; Q202-L206 VanDerWaalsContact O-CB 3.28Å; Q202-L206 WeakPolarHBondContact O-CB 3.34Å; Q202-L206 PolarHBondContact O-N 3.48Å; D204-L206 VanDerWaalsContact C-N 3.27Å; D204-L206 PolarHBondContact O-N 2.91Å; L206-R208 VanDerWaalsContact C-N 3.3Å; L206-R208 PolarHBondContact O-N 3.44Å; L206-G209 PolarHBondContact O-N 3.27Å; L206-G209 VanDerWaalsContact O-N 3.07Å; L206-E210 HydrophobicContact CD1-CG 4.16Å; L206-E210 HydrophobicContact CG-CG 4.46Å; L206-E210 WeakPolarHBondContact O-CG 3.49Å; L206-E210 PolarHBondContact O-N 2.63Å; L206-W226 HydrophobicContact CB-CZ2 4.28Å; L206-W226 HydrophobicContact CD2-CZ2 4.03Å; L206-W226 HydrophobicContact CG-CH2 4.46Å; L206-W226 HydrophobicContact CG-CZ2 3.91Å; L206-V230 HydrophobicContact CD2-CG1 4.01Å; L206-V230 HydrophobicContact CD2-CG2 3.85Å; L206-W299 HydrophobicContact CD1-CZ2 4.06Å; L206-W299 HydrophobicContact CD2-CH2 3.61Å; L206-W299 HydrophobicContact CD2-CZ2 3.94Å; L206-W299 HydrophobicContact CG-CH2 4.14Å; L206-W299 HydrophobicContact CG-CZ2 4.05Å
207	F	94.6	Very high	91.6	Very high	1 Å²	1	56.1 Å²	56.1	0%	0.004	30%	0.302	C	S	.	.	H	α-helix	trans	-57.7	-45.5	178	179.7	-94.8	0	0	0	111.5	F203 D204 G209 E210 T211 K213 L222 W226 R288 T291 E292	F203-F207 PolarHBondContact O-N 2.78Å; D204-F207 PolarHBondContact O-N 3.12Å; F207-G209 VanDerWaalsContact C-N 3.31Å; F207-G209 PolarHBondContact O-N 2.7Å; F207-E210 PolarHBondContact O-N 3.31Å; F207-T211 HydrophobicContact CD2-CG2 3.99Å; F207-T211 HydrophobicContact CE1-CG2 4.35Å; F207-T211 HydrophobicContact CE2-CG2 3.77Å; F207-T211 HydrophobicContact CG-CG2 4.38Å; F207-T211 HydrophobicContact CZ-CG2 3.96Å; F207-T211 WeakPolarHBondContact O-CB 3.46Å; F207-T211 VanDerWaalsContact O-CG2 3.32Å; F207-T211 WeakPolarHBondContact O-CG2 3.34Å; F207-T211 PolarHBondContact O-N 3.38Å; F207-T211 PolarHBondContact O-OG1 3.07Å; F207-K213 WeakPolarHBondContact CD1-O 3.45Å; F207-K213 HydrophobicContact CE1-CB 4Å; F207-L222 HydrophobicContact CB-CD1 4.44Å; F207-L222 HydrophobicContact CB-CD2 3.64Å; F207-L222 HydrophobicContact CD1-CD2 3.94Å; F207-L222 HydrophobicContact CD2-CD2 3.48Å; F207-L222 VanDerWaalsContact CD2-CD2 3.48Å; F207-L222 HydrophobicContact CE1-CD2 4.48Å; F207-L222 HydrophobicContact CE2-CD2 4.08Å; F207-L222 HydrophobicContact CG-CD2 3.39Å; F207-W226 VanDerWaalsContact CA-CZ2 3.48Å; F207-W226 HydrophobicContact CB-CH2 4.04Å; F207-W226 HydrophobicContact CB-CZ2 3.61Å; F207-W226 HydrophobicContact CD2-CD2 4.25Å; F207-W226 HydrophobicContact CD2-CE3 4.02Å; F207-W226 AromaticContact CD2-CH2 3.91Å; F207-W226 HydrophobicContact CD2-CH2 3.91Å; F207-W226 HydrophobicContact CD2-CZ2 4.14Å; F207-W226 AromaticContact CD2-CZ3 3.84Å; F207-W226 HydrophobicContact CD2-CZ3 3.84Å; F207-W226 HydrophobicContact CG-CH2 4.46Å; F207-W226 HydrophobicContact CG-CZ2 4.4Å; F207-R288 HydrophobicContact CZ-CB 4.05Å; F207-R288 HydrophobicContact CZ-CG 4.28Å; F207-T291 HydrophobicContact CE2-CG2 4.09Å; F207-T291 HydrophobicContact CZ-CG2 3.91Å; F207-E292 HydrophobicContact CD2-CG 4.38Å; F207-E292 HydrophobicContact CE2-CG 3.85Å
208	R	94.1	Very high	91	Very high	114 Å²	114	54.7 Å²	54.7	43%	0.43	29%	0.293	S	S	.	.	H	α-helix	trans	-62.4	-39.2	176	-177.8	174.6	64.2	170.4	1.9	112.2	D204 D205 L206 G212 K213 D214	D204-R208 WeakPolarHBondContact O-CB 3.35Å; D204-R208 PolarHBondContact O-N 2.72Å; D205-R208 IonicContact OD1-CZ 2.79Å; D205-R208 IonicContact OD1-NE 3.2Å; D205-R208 IonicContact OD1-NH2 3.51Å; D205-R208 PolarHBondContact OD1-NH2 2.79Å; L206-R208 VanDerWaalsContact C-N 3.3Å; L206-R208 PolarHBondContact O-N 3.44Å; R208-G212 VanDerWaalsContact O-CA 3.22Å; R208-G212 WeakPolarHBondContact O-CA 3.25Å; R208-G212 PolarHBondContact O-N 3.23Å; R208-K213 VanDerWaalsContact CA-O 3.3Å; R208-K213 WeakPolarHBondContact CA-O 3.48Å; R208-D214 WeakPolarHBondContact CD-OD2 3.46Å; R208-D214 IonicContact NH1-OD2 2.9Å
209	G	92.6	Very high	90.6	Very high	40 Å²	40	58.2 Å²	58.2	41%	0.412	30%	0.299	S	S	.	.	H	α-helix	trans	-65.5	-40.9	177.8	0	0	0	0	0	113.4	D205 L206 F207	D205-G209 PolarHBondContact O-N 3.02Å; L206-G209 PolarHBondContact O-N 3.27Å; L206-G209 VanDerWaalsContact O-N 3.07Å; F207-G209 VanDerWaalsContact C-N 3.31Å; F207-G209 PolarHBondContact O-N 2.7Å
210	E	93.2	Very high	90.4	Very high	41 Å²	41	58.2 Å²	58.2	19%	0.192	30%	0.3	C	S	.	.	H	α-helix	trans	-78.4	-35.4	-178.8	-67.3	-67.7	165.3	0	0	112.8	L206 F207 V295 W299	L206-E210 HydrophobicContact CD1-CG 4.16Å; L206-E210 HydrophobicContact CG-CG 4.46Å; L206-E210 WeakPolarHBondContact O-CG 3.49Å; L206-E210 PolarHBondContact O-N 2.63Å; F207-E210 PolarHBondContact O-N 3.31Å; E210-V295 HydrophobicContact CB-CG1 3.91Å; E210-V295 HydrophobicContact CB-CG2 3.86Å; E210-V295 HydrophobicContact CG-CG1 3.86Å; E210-W299 VanDerWaalsContact CD-NE1 3.35Å; E210-W299 HydrophobicContact CG-CZ2 3.87Å; E210-W299 PolarHBondContact OE1-NE1 3.28Å; E210-W299 VanDerWaalsContact OE1-NE1 3.14Å
211	T	92.3	Very high	90.3	Very high	27 Å²	27	61.3 Å²	61.3	17%	0.166	31%	0.311	C	S	.	.	H	α-helix	trans	-108.7	-15.9	-169.5	69.2	0	0	0	0	114	F207 K213 T291 V295	F207-T211 HydrophobicContact CD2-CG2 3.99Å; F207-T211 HydrophobicContact CE1-CG2 4.35Å; F207-T211 HydrophobicContact CE2-CG2 3.77Å; F207-T211 HydrophobicContact CG-CG2 4.38Å; F207-T211 HydrophobicContact CZ-CG2 3.96Å; F207-T211 WeakPolarHBondContact O-CB 3.46Å; F207-T211 VanDerWaalsContact O-CG2 3.32Å; F207-T211 WeakPolarHBondContact O-CG2 3.34Å; F207-T211 PolarHBondContact O-N 3.38Å; F207-T211 PolarHBondContact O-OG1 3.07Å; T211-K213 PolarHBondContact O-N 2.93Å; T211-K213 VanDerWaalsContact O-N 3.17Å; T211-K213 WeakPolarHBondContact OG1-CB 3.26Å; T211-K213 PolarHBondContact OG1-N 3.35Å; T211-T291 HydrophobicContact CG2-CG2 3.48Å; T211-T291 VanDerWaalsContact CG2-CG2 3.48Å; T211-V295 HydrophobicContact CG2-CG2 3.59Å
212	G	91.1	Very high	90.4	Very high	69 Å²	69	55.7 Å²	55.7	71%	0.711	29%	0.285	S	S	*	.	S	Bend	trans	67.8	0.3	-167.1	0	0	0	0	0	114.2	R208	R208-G212 VanDerWaalsContact O-CA 3.22Å; R208-G212 WeakPolarHBondContact O-CA 3.25Å; R208-G212 PolarHBondContact O-N 3.23Å
213	K	87.9	Confident	90.6	Very high	86 Å²	86	52.4 Å²	52.4	37%	0.374	27%	0.27	S	S	.	.			trans	-97.9	129.7	-178.8	-65.1	171.5	-176.3	-84.6	0	110.2	F207 R208 T211 T291	F207-K213 WeakPolarHBondContact CD1-O 3.45Å; F207-K213 HydrophobicContact CE1-CB 4Å; R208-K213 VanDerWaalsContact CA-O 3.3Å; R208-K213 WeakPolarHBondContact CA-O 3.48Å; T211-K213 PolarHBondContact O-N 2.93Å; T211-K213 VanDerWaalsContact O-N 3.17Å; T211-K213 WeakPolarHBondContact OG1-CB 3.26Å; T211-K213 PolarHBondContact OG1-N 3.35Å; K213-T291 HydrophobicContact CD-CG2 4.18Å
214	D	87.6	Confident	90.7	Very high	33 Å²	33	53 Å²	53	18%	0.176	27%	0.274	C	S	.	.			trans	-89.6	124.5	173.3	-171.5	-62	0	0	0	109.7	R208 E216 K217 S218	R208-D214 WeakPolarHBondContact CD-OD2 3.46Å; R208-D214 IonicContact NH1-OD2 2.9Å; D214-E216 VanDerWaalsContact C-N 3.31Å; D214-E216 PolarHBondContact O-N 3.39Å; D214-E216 WeakPolarHBondContact OD1-CB 3.36Å; D214-E216 PolarHBondContact OD1-N 3.1Å; D214-K217 HydrophobicContact CB-CB 4.05Å; D214-K217 HydrophobicContact CB-CD 4.03Å; D214-K217 HydrophobicContact CB-CG 4.03Å; D214-K217 PolarHBondContact OD1-N 3.22Å; D214-K217 VanDerWaalsContact OD1-N 3.09Å; D214-S218 VanDerWaalsContact O-CB 3.28Å; D214-S218 WeakPolarHBondContact O-CB 3.28Å; D214-S218 PolarHBondContact O-N 3.49Å; D214-S218 PolarHBondContact O-OG 3.31Å
215	R	86.4	Confident	90.9	Very high	47 Å²	47	52.8 Å²	52.8	18%	0.177	28%	0.276	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.9	-37.8	-177.5	77.6	165.8	169.9	52.1	26.4	111.9	D204 S218 H219 S220	D204-R215 VanDerWaalsContact CG-NH2 3.35Å; D204-R215 VanDerWaalsContact OD1-CD 3.29Å; D204-R215 WeakPolarHBondContact OD1-CD 3.35Å; D204-R215 IonicContact OD1-CZ 3.51Å; D204-R215 IonicContact OD1-NE 3.93Å; D204-R215 PolarHBondContact OD1-NE 3.16Å; D204-R215 IonicContact OD1-NH2 3.71Å; D204-R215 IonicContact OD2-CZ 3.41Å; D204-R215 IonicContact OD2-NE 3.81Å; D204-R215 PolarHBondContact OD2-NE 3.47Å; D204-R215 IonicContact OD2-NH2 2.66Å; D204-R215 PolarHBondContact OD2-NH2 3.43Å; R215-S218 WeakPolarHBondContact CA-OG 3.37Å; R215-S218 CarbonylContact O-C 3.33Å; R215-S218 PolarHBondContact O-N 3.42Å; R215-S218 PolarHBondContact O-OG 3.22Å; R215-H219 PolarHBondContact O-N 3.13Å; R215-S220 PolarHBondContact O-N 3.06Å
216	E	83.4	Confident	91.1	Very high	118 Å²	118	49.7 Å²	49.7	55%	0.551	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.2	-47.3	-174.5	-67.7	-174.5	172.5	0	0	109.9	D214 S218 H219	D214-E216 VanDerWaalsContact C-N 3.31Å; D214-E216 PolarHBondContact O-N 3.39Å; D214-E216 WeakPolarHBondContact OD1-CB 3.36Å; D214-E216 PolarHBondContact OD1-N 3.1Å; E216-S218 PolarHBondContact O-N 2.94Å; E216-H219 PolarHBondContact O-N 3Å; E216-H219 VanDerWaalsContact O-N 3.08Å
217	K	83.3	Confident	91.3	Very high	176 Å²	176	49.6 Å²	49.6	77%	0.765	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.6	-30.5	175.9	-61.9	-175.7	-179.5	-177.8	0	112.6	D214 H219	D214-K217 HydrophobicContact CB-CB 4.05Å; D214-K217 HydrophobicContact CB-CD 4.03Å; D214-K217 HydrophobicContact CB-CG 4.03Å; D214-K217 PolarHBondContact OD1-N 3.22Å; D214-K217 VanDerWaalsContact OD1-N 3.09Å; K217-H219 VanDerWaalsContact C-N 3.33Å
218	S	79.8	Confident	91.5	Very high	30 Å²	30	49.6 Å²	49.6	21%	0.21	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.5	5.8	177.7	67.4	0	0	0	0	113.9	D214 R215 E216 S220 H286 R288	D214-S218 VanDerWaalsContact O-CB 3.28Å; D214-S218 WeakPolarHBondContact O-CB 3.28Å; D214-S218 PolarHBondContact O-N 3.49Å; D214-S218 PolarHBondContact O-OG 3.31Å; R215-S218 WeakPolarHBondContact CA-OG 3.37Å; R215-S218 CarbonylContact O-C 3.33Å; R215-S218 PolarHBondContact O-N 3.42Å; R215-S218 PolarHBondContact O-OG 3.22Å; E216-S218 PolarHBondContact O-N 2.94Å; S218-S220 PolarHBondContact O-N 3.31Å; S218-S220 VanDerWaalsContact O-N 3.09Å; S218-S220 PolarHBondContact OG-OG 2.86Å; S218-H286 PolarHBondContact O-CE1 3.49Å; S218-R288 PolarHBondContact O-NH2 2.77Å
219	H	84.6	Confident	91.7	Very high	132 Å²	132	44.2 Å²	44.2	61%	0.611	24%	0.239	S	C	*	.	T	Hydrogen-bonded Turn	trans	47.6	33.4	-177	-60	-68.7	0	0	0	114.2	R215 E216 K217 H286	R215-H219 PolarHBondContact O-N 3.13Å; E216-H219 PolarHBondContact O-N 3Å; E216-H219 VanDerWaalsContact O-N 3.08Å; K217-H219 VanDerWaalsContact C-N 3.33Å; H219-H286 PolarHBondContact O-NE2 3.46Å
220	S	89.3	Confident	91.9	Very high	5 Å²	5	42.3 Å²	42.3	4%	0.035	22%	0.219	C	C	.	.	B	Isolated β-bridge	trans	-105.4	161.7	179.9	61.6	0	0	0	0	112.1	R215 S218 H286	R215-S220 PolarHBondContact O-N 3.06Å; S218-S220 PolarHBondContact O-N 3.31Å; S218-S220 VanDerWaalsContact O-N 3.09Å; S218-S220 PolarHBondContact OG-OG 2.86Å; S220-H286 WeakPolarHBondContact CA-O 3.21Å
221	W	92	Very high	92	Very high	80 Å²	80	40.4 Å²	40.4	30%	0.303	21%	0.211	S	C	.	.			trans	-113.8	145.1	169.8	-68.9	87.7	0	0	0	110	P165 N285 H286 H287	P165-W221 HydrophobicContact CB-CH2 4.11Å; P165-W221 HydrophobicContact CB-CZ3 4.41Å; P165-W221 HydrophobicContact CG-CH2 4.48Å; W221-N285 PolarHBondContact NE1-OD1 3.02Å; W221-H286 PolarHBondContact N-O 2.83Å; W221-H287 WeakPolarHBondContact O-CA 3.36Å; W221-H287 PolarHBondContact O-ND1 2.96Å
222	L	95.3	Very high	92.2	Very high	3 Å²	3	39.1 Å²	39.1	2%	0.016	20%	0.203	C	C	.	.			trans	-65.8	139.9	167.4	-59	175.5	0	0	0	109.4	W163 F203 D204 F207 W226 F227	W163-L222 WeakPolarHBondContact CH2-O 3.2Å; F203-L222 HydrophobicContact CB-CD1 4.21Å; D204-L222 WeakPolarHBondContact OD1-CD1 3.41Å; F207-L222 HydrophobicContact CB-CD1 4.44Å; F207-L222 HydrophobicContact CB-CD2 3.64Å; F207-L222 HydrophobicContact CD1-CD2 3.94Å; F207-L222 HydrophobicContact CD2-CD2 3.48Å; F207-L222 VanDerWaalsContact CD2-CD2 3.48Å; F207-L222 HydrophobicContact CE1-CD2 4.48Å; F207-L222 HydrophobicContact CE2-CD2 4.08Å; F207-L222 HydrophobicContact CG-CD2 3.39Å; L222-W226 HydrophobicContact CB-CB 4.27Å; L222-W226 HydrophobicContact CB-CG 4.22Å; L222-W226 HydrophobicContact CD1-CG 4.42Å; L222-W226 HydrophobicContact CD2-CD2 4.47Å; L222-W226 HydrophobicContact CD2-CG 4.29Å; L222-F227 HydrophobicContact CB-CD2 4.41Å; L222-F227 HydrophobicContact CB-CE2 3.59Å; L222-F227 HydrophobicContact CB-CZ 4.02Å; L222-F227 HydrophobicContact CD1-CZ 4.25Å
223	S	97.2	Very high	92.4	Very high	8 Å²	8	35.9 Å²	35.9	6%	0.056	17%	0.169	C	C	.	.			trans	-75.4	160.7	178.6	84.9	0	0	0	0	111.8	G225 W226 F227 E292	S223-G225 PolarHBondContact O-N 2.96Å; S223-G225 WeakPolarHBondContact OG-CA 3.41Å; S223-G225 PolarHBondContact OG-N 2.04Å; S223-W226 WeakPolarHBondContact O-CB 3.2Å; S223-W226 PolarHBondContact O-N 3.12Å; S223-W226 PolarHBondContact OG-N 3.36Å; S223-W226 VanDerWaalsContact OG-N 3.12Å; S223-F227 WeakPolarHBondContact O-CD2 3.15Å; S223-F227 PolarHBondContact O-N 3.09Å; S223-E292 WeakPolarHBondContact CB-OE2 3.39Å; S223-E292 PolarHBondContact N-OE1 2.81Å; S223-E292 PolarHBondContact OG-OE2 3.48Å
224	T	98.3	Very high	92.6	Very high	14 Å²	14	31.8 Å²	31.8	9%	0.086	15%	0.151	C	C	.	.	H	α-helix	trans	-58.5	-28.9	169.1	-50.2	0	0	0	0	111.8	M115 N116 V135 F227 T228	M115-T224 HydrophobicContact CB-CG2 3.96Å; M115-T224 HydrophobicContact CG-CG2 3.89Å; M115-T224 HydrophobicContact SD-CG2 4.06Å; N116-T224 WeakPolarHBondContact ND2-CB 3.45Å; N116-T224 PolarHBondContact ND2-OG1 3.47Å; V135-T224 HydrophobicContact CB-CG2 4.41Å; V135-T224 HydrophobicContact CG1-CG2 4.02Å; T224-F227 PolarHBondContact O-N 3.43Å; T224-T228 VanDerWaalsContact O-CB 3.27Å; T224-T228 WeakPolarHBondContact O-CB 3.29Å; T224-T228 PolarHBondContact O-N 3.36Å; T224-T228 PolarHBondContact O-OG1 3.11Å
225	G	98.3	Very high	92.8	Very high	15 Å²	15	30.2 Å²	30.2	16%	0.155	14%	0.143	C	C	.	.	H	α-helix	trans	-61.7	-41.3	174.2	0	0	0	0	0	112.4	S223 T228 M229	S223-G225 PolarHBondContact O-N 2.96Å; S223-G225 WeakPolarHBondContact OG-CA 3.41Å; S223-G225 PolarHBondContact OG-N 2.04Å; G225-T228 PolarHBondContact O-N 2.81Å; G225-M229 WeakPolarHBondContact O-CB 3.27Å; G225-M229 PolarHBondContact O-N 3.49Å
226	W	98.1	Very high	93.2	Very high	0 Å²	0	28 Å²	28	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-59	-55.8	172.5	179.4	-91.6	0	0	0	112	F203 L206 F207 L222 S223 T228 M229 V230 E292 V295 F296 W299	F203-W226 PolarHBondContact O-NE1 3.2Å; L206-W226 HydrophobicContact CB-CZ2 4.28Å; L206-W226 HydrophobicContact CD2-CZ2 4.03Å; L206-W226 HydrophobicContact CG-CH2 4.46Å; L206-W226 HydrophobicContact CG-CZ2 3.91Å; F207-W226 VanDerWaalsContact CA-CZ2 3.48Å; F207-W226 HydrophobicContact CB-CH2 4.04Å; F207-W226 HydrophobicContact CB-CZ2 3.61Å; F207-W226 HydrophobicContact CD2-CD2 4.25Å; F207-W226 HydrophobicContact CD2-CE3 4.02Å; F207-W226 AromaticContact CD2-CH2 3.91Å; F207-W226 HydrophobicContact CD2-CH2 3.91Å; F207-W226 HydrophobicContact CD2-CZ2 4.14Å; F207-W226 AromaticContact CD2-CZ3 3.84Å; F207-W226 HydrophobicContact CD2-CZ3 3.84Å; F207-W226 HydrophobicContact CG-CH2 4.46Å; F207-W226 HydrophobicContact CG-CZ2 4.4Å; L222-W226 HydrophobicContact CB-CB 4.27Å; L222-W226 HydrophobicContact CB-CG 4.22Å; L222-W226 HydrophobicContact CD1-CG 4.42Å; L222-W226 HydrophobicContact CD2-CD2 4.47Å; L222-W226 HydrophobicContact CD2-CG 4.29Å; S223-W226 WeakPolarHBondContact O-CB 3.2Å; S223-W226 PolarHBondContact O-N 3.12Å; S223-W226 PolarHBondContact OG-N 3.36Å; S223-W226 VanDerWaalsContact OG-N 3.12Å; W226-T228 VanDerWaalsContact C-N 3.26Å; W226-T228 PolarHBondContact O-N 2.91Å; W226-M229 PolarHBondContact O-N 2.99Å; W226-V230 HydrophobicContact CZ2-CG2 4.45Å; W226-V230 WeakPolarHBondContact O-CG2 3.12Å; W226-V230 PolarHBondContact O-N 2.95Å; W226-V230 VanDerWaalsContact O-N 3.09Å; W226-E292 HydrophobicContact CB-CG 4.35Å; W226-E292 HydrophobicContact CE3-CB 4.11Å; W226-E292 HydrophobicContact CE3-CG 3.83Å; W226-V295 HydrophobicContact CH2-CB 4.44Å; W226-V295 HydrophobicContact CH2-CG1 3.94Å; W226-V295 HydrophobicContact CH2-CG2 4.49Å; W226-V295 HydrophobicContact CZ3-CB 3.89Å; W226-V295 HydrophobicContact CZ3-CG1 3.8Å; W226-V295 HydrophobicContact CZ3-CG2 4.1Å; W226-F296 AromaticContact CE3-CE1 3.68Å; W226-F296 HydrophobicContact CE3-CE1 3.68Å; W226-F296 HydrophobicContact CE3-CZ 4.15Å; W226-F296 HydrophobicContact CZ3-CE1 4.12Å; W226-W299 AromaticContact CH2-CH2 3.86Å; W226-W299 HydrophobicContact CH2-CH2 3.86Å; W226-W299 HydrophobicContact CH2-CZ2 4.21Å; W226-W299 HydrophobicContact CZ2-CH2 4.16Å; W226-W299 HydrophobicContact CZ3-CH2 4.34Å
227	F	98.3	Very high	93.6	Very high	2 Å²	2	26 Å²	26	1%	0.009	13%	0.128	C	C	.	.	H	α-helix	trans	-55.8	-44.9	178.3	-68.5	-86.7	0	0	0	111.2	V135 W163 M200 F203 L222 S223 T224 M229 V230 I231	V135-F227 HydrophobicContact CG1-CB 4.38Å; W163-F227 HydrophobicContact CB-CD1 4.24Å; W163-F227 HydrophobicContact CB-CE1 4.44Å; W163-F227 HydrophobicContact CD2-CD1 4.17Å; W163-F227 AromaticContact CD2-CD2 3.53Å; W163-F227 HydrophobicContact CD2-CD2 3.53Å; W163-F227 HydrophobicContact CD2-CE1 4.13Å; W163-F227 AromaticContact CD2-CE2 3.54Å; W163-F227 HydrophobicContact CD2-CE2 3.54Å; W163-F227 AromaticContact CD2-CG 3.91Å; W163-F227 HydrophobicContact CD2-CG 3.91Å; W163-F227 AromaticContact CD2-CZ 3.86Å; W163-F227 HydrophobicContact CD2-CZ 3.86Å; W163-F227 AromaticContact CE2-CD2 3.41Å; W163-F227 VanDerWaalsContact CE2-CD2 3.41Å; W163-F227 AromaticContact CE2-CE2 3.68Å; W163-F227 HydrophobicContact CE3-CD1 4.42Å; W163-F227 AromaticContact CE3-CD2 3.84Å; W163-F227 HydrophobicContact CE3-CD2 3.84Å; W163-F227 AromaticContact CE3-CE1 3.92Å; W163-F227 HydrophobicContact CE3-CE1 3.92Å; W163-F227 AromaticContact CE3-CE2 3.3Å; W163-F227 HydrophobicContact CE3-CE2 3.3Å; W163-F227 HydrophobicContact CE3-CG 4.41Å; W163-F227 AromaticContact CE3-CZ 3.36Å; W163-F227 HydrophobicContact CE3-CZ 3.36Å; W163-F227 HydrophobicContact CG-CB 4.5Å; W163-F227 HydrophobicContact CG-CD1 4.1Å; W163-F227 HydrophobicContact CG-CD2 4.08Å; W163-F227 HydrophobicContact CG-CE1 4.38Å; W163-F227 HydrophobicContact CG-CE2 4.41Å; W163-F227 AromaticContact CG-CG 3.97Å; W163-F227 HydrophobicContact CG-CG 3.97Å; W163-F227 AromaticContact CH2-CD2 3.93Å; W163-F227 HydrophobicContact CH2-CD2 3.93Å; W163-F227 AromaticContact CH2-CE2 3.4Å; W163-F227 HydrophobicContact CH2-CE2 3.4Å; W163-F227 HydrophobicContact CH2-CZ 4.2Å; W163-F227 AromaticContact CZ2-CD2 3.63Å; W163-F227 HydrophobicContact CZ2-CD2 3.63Å; W163-F227 AromaticContact CZ2-CE2 3.63Å; W163-F227 HydrophobicContact CZ2-CE2 3.63Å; W163-F227 HydrophobicContact CZ3-CD2 4.03Å; W163-F227 AromaticContact CZ3-CE2 3.23Å; W163-F227 HydrophobicContact CZ3-CE2 3.23Å; W163-F227 AromaticContact CZ3-CZ 3.56Å; W163-F227 HydrophobicContact CZ3-CZ 3.56Å; W163-F227 AromaticContact NE1-CD2 3.89Å; M200-F227 HydrophobicContact CE-CE1 3.69Å; M200-F227 HydrophobicContact CE-CZ 3.67Å; M200-F227 HydrophobicContact SD-CD1 4.49Å; M200-F227 HydrophobicContact SD-CE1 3.61Å; M200-F227 HydrophobicContact SD-CZ 4.21Å; F203-F227 HydrophobicContact CB-CE1 4.19Å; F203-F227 AromaticContact CD2-CD1 3.39Å; F203-F227 HydrophobicContact CD2-CD1 3.39Å; F203-F227 AromaticContact CD2-CE1 3.41Å; F203-F227 HydrophobicContact CD2-CE1 3.41Å; F203-F227 VanDerWaalsContact CD2-CE1 3.41Å; F203-F227 AromaticContact CE2-CD1 3.58Å; F203-F227 HydrophobicContact CE2-CD1 3.58Å; F203-F227 HydrophobicContact CE2-CE1 4.03Å; F203-F227 HydrophobicContact CG-CD1 4.13Å; F203-F227 HydrophobicContact CG-CE1 4.12Å; L222-F227 HydrophobicContact CB-CD2 4.41Å; L222-F227 HydrophobicContact CB-CE2 3.59Å; L222-F227 HydrophobicContact CB-CZ 4.02Å; L222-F227 HydrophobicContact CD1-CZ 4.25Å; S223-F227 WeakPolarHBondContact O-CD2 3.15Å; S223-F227 PolarHBondContact O-N 3.09Å; T224-F227 PolarHBondContact O-N 3.43Å; F227-M229 PolarHBondContact O-N 3.5Å; F227-V230 PolarHBondContact O-N 2.74Å; F227-I231 HydrophobicContact CB-CD1 4.33Å; F227-I231 VanDerWaalsContact O-CB 3.29Å; F227-I231 WeakPolarHBondContact O-CB 3.4Å; F227-I231 VanDerWaalsContact O-CD1 3.29Å; F227-I231 WeakPolarHBondContact O-CD1 3.5Å; F227-I231 WeakPolarHBondContact O-CG1 3.04Å; F227-I231 PolarHBondContact O-N 2.9Å
228	T	98.6	Very high	94.2	Very high	1 Å²	1	22.4 Å²	22.4	1%	0.006	11%	0.113	C	C	.	.	H	α-helix	trans	-63.5	-43.1	-178.6	-57.4	0	0	0	0	112	I90 I113 M115 V135 T224 G225 W226 I231 A232	I90-T228 HydrophobicContact CD1-CG2 4.16Å; I90-T228 HydrophobicContact CG1-CG2 4.26Å; I90-T228 HydrophobicContact CG2-CG2 4.21Å; I113-T228 HydrophobicContact CG2-CG2 3.58Å; M115-T228 HydrophobicContact CG-CG2 4.05Å; M115-T228 VanDerWaalsContact CG-OG1 3.28Å; M115-T228 WeakPolarHBondContact CG-OG1 3.2Å; M115-T228 HydrophobicContact SD-CG2 4.2Å; M115-T228 PolarHBondContact SD-OG1 3.36Å; M115-T228 VanDerWaalsContact SD-OG1 3.39Å; V135-T228 WeakPolarHBondContact CB-OG1 3.4Å; V135-T228 HydrophobicContact CG2-CG2 4.25Å; T224-T228 VanDerWaalsContact O-CB 3.27Å; T224-T228 WeakPolarHBondContact O-CB 3.29Å; T224-T228 PolarHBondContact O-N 3.36Å; T224-T228 PolarHBondContact O-OG1 3.11Å; G225-T228 PolarHBondContact O-N 2.81Å; W226-T228 VanDerWaalsContact C-N 3.26Å; W226-T228 PolarHBondContact O-N 2.91Å; T228-I231 PolarHBondContact O-N 3.39Å; T228-A232 VanDerWaalsContact O-CB 3.24Å; T228-A232 WeakPolarHBondContact O-CB 3.48Å; T228-A232 PolarHBondContact O-N 3.07Å
229	M	98.3	Very high	95.1	Very high	2 Å²	2	21 Å²	21	1%	0.01	10%	0.103	C	C	.	.	H	α-helix	trans	-63.6	-46.6	178.5	-174.5	63.5	72.7	0	0	111.4	I90 G225 W226 F227 A232 V233 V241 F296 W299 I305 F307	I90-M229 HydrophobicContact CD1-CE 4.34Å; I90-M229 HydrophobicContact CD1-SD 4.21Å; G225-M229 WeakPolarHBondContact O-CB 3.27Å; G225-M229 PolarHBondContact O-N 3.49Å; W226-M229 PolarHBondContact O-N 2.99Å; F227-M229 PolarHBondContact O-N 3.5Å; M229-A232 PolarHBondContact O-N 3.34Å; M229-V233 WeakPolarHBondContact O-CG2 3.07Å; M229-V233 PolarHBondContact O-N 3.34Å; M229-V241 HydrophobicContact CE-CG2 3.83Å; M229-F296 HydrophobicContact CB-CD1 4.09Å; M229-F296 HydrophobicContact CB-CE1 3.64Å; M229-F296 HydrophobicContact CB-CZ 3.9Å; M229-F296 HydrophobicContact CE-CB 4.27Å; M229-F296 HydrophobicContact CE-CD1 4.36Å; M229-F296 HydrophobicContact CE-CD2 4Å; M229-F296 HydrophobicContact CE-CE2 4.45Å; M229-F296 HydrophobicContact CE-CG 3.97Å; M229-F296 HydrophobicContact CG-CD1 3.64Å; M229-F296 HydrophobicContact CG-CE1 3.72Å; M229-F296 HydrophobicContact CG-CG 4.2Å; M229-F296 HydrophobicContact CG-CZ 4.35Å; M229-W299 HydrophobicContact CG-CE3 4.27Å; M229-W299 HydrophobicContact CG-CZ3 4.29Å; M229-I305 HydrophobicContact CE-CG2 4.26Å; M229-I305 HydrophobicContact SD-CD1 3.77Å; M229-I305 HydrophobicContact SD-CG1 4.47Å; M229-I305 HydrophobicContact SD-CG2 4.14Å; M229-F307 HydrophobicContact CE-CE1 4.16Å; M229-F307 HydrophobicContact CE-CZ 4.25Å
230	V	96.8	Very high	95.7	Very high	0 Å²	0	16.1 Å²	16.1	0%	0	8%	0.081	C	C	.	.	H	α-helix	trans	-63.9	-45.9	179.2	-172.2	0	0	0	0	110.5	L63 W66 F203 L206 W226 F227 A232 V233 E234 W299	L63-V230 HydrophobicContact CD1-CG1 4.12Å; L63-V230 HydrophobicContact CD2-CG1 4.25Å; W66-V230 HydrophobicContact CZ3-CG1 4.09Å; F203-V230 HydrophobicContact CD1-CB 4.06Å; F203-V230 HydrophobicContact CD1-CG1 3.77Å; F203-V230 HydrophobicContact CD1-CG2 4.29Å; F203-V230 HydrophobicContact CE1-CB 3.72Å; F203-V230 HydrophobicContact CE1-CG1 3.37Å; F203-V230 HydrophobicContact CE1-CG2 4.45Å; F203-V230 HydrophobicContact CZ-CG1 4.5Å; L206-V230 HydrophobicContact CD2-CG1 4.01Å; L206-V230 HydrophobicContact CD2-CG2 3.85Å; W226-V230 HydrophobicContact CZ2-CG2 4.45Å; W226-V230 WeakPolarHBondContact O-CG2 3.12Å; W226-V230 PolarHBondContact O-N 2.95Å; W226-V230 VanDerWaalsContact O-N 3.09Å; F227-V230 PolarHBondContact O-N 2.74Å; V230-A232 VanDerWaalsContact C-N 3.3Å; V230-A232 PolarHBondContact O-N 3.5Å; V230-V233 PolarHBondContact O-N 3.47Å; V230-E234 WeakPolarHBondContact O-CB 3.36Å; V230-E234 WeakPolarHBondContact O-CG 3.5Å; V230-E234 PolarHBondContact O-N 2.84Å; V230-W299 HydrophobicContact CG2-CH2 3.88Å; V230-W299 HydrophobicContact CG2-CZ3 3.92Å
231	I	96	Very high	96.2	Very high	1 Å²	1	15.9 Å²	15.9	1%	0.005	8%	0.079	C	C	.	.	H	α-helix	trans	-59	-40.1	175.9	-70.4	163.1	0	0	0	111.4	Y72 V135 I161 F203 F227 T228 E234 L235	Y72-I231 HydrophobicContact CE1-CD1 4.36Å; Y72-I231 HydrophobicContact CE1-CG1 4.19Å; Y72-I231 WeakPolarHBondContact OH-CG1 3.44Å; V135-I231 HydrophobicContact CG1-CD1 4.04Å; V135-I231 HydrophobicContact CG2-CD1 4.14Å; I161-I231 HydrophobicContact CD1-CG2 3.9Å; I161-I231 HydrophobicContact CG2-CD1 4.04Å; F203-I231 HydrophobicContact CZ-CG1 4.2Å; F227-I231 HydrophobicContact CB-CD1 4.33Å; F227-I231 VanDerWaalsContact O-CB 3.29Å; F227-I231 WeakPolarHBondContact O-CB 3.4Å; F227-I231 VanDerWaalsContact O-CD1 3.29Å; F227-I231 WeakPolarHBondContact O-CD1 3.5Å; F227-I231 WeakPolarHBondContact O-CG1 3.04Å; F227-I231 PolarHBondContact O-N 2.9Å; T228-I231 PolarHBondContact O-N 3.39Å; I231-E234 WeakPolarHBondContact O-CB 3.48Å; I231-E234 PolarHBondContact O-N 3.27Å; I231-L235 HydrophobicContact CG2-CD1 3.55Å; I231-L235 HydrophobicContact CG2-CG 4.18Å; I231-L235 WeakPolarHBondContact O-CB 3.47Å; I231-L235 VanDerWaalsContact O-CG 3.31Å; I231-L235 WeakPolarHBondContact O-CG 3.32Å; I231-L235 PolarHBondContact O-N 2.91Å
232	A	96.5	Very high	96.5	Very high	0 Å²	0	12.5 Å²	12.5	0%	0	7%	0.067	C	C	.	.	H	α-helix	trans	-67.1	-43.2	179.4	0	0	0	0	0	112.1	I90 I113 T228 M229 V230 E234 L235 C236 V239	I90-A232 HydrophobicContact CD1-CB 3.71Å; I90-A232 HydrophobicContact CG1-CB 4.21Å; I113-A232 HydrophobicContact CD1-CB 3.65Å; T228-A232 VanDerWaalsContact O-CB 3.24Å; T228-A232 WeakPolarHBondContact O-CB 3.48Å; T228-A232 PolarHBondContact O-N 3.07Å; M229-A232 PolarHBondContact O-N 3.34Å; V230-A232 VanDerWaalsContact C-N 3.3Å; V230-A232 PolarHBondContact O-N 3.5Å; A232-E234 PolarHBondContact O-N 3.41Å; A232-L235 PolarHBondContact O-N 2.86Å; A232-C236 WeakPolarHBondContact O-CB 3.47Å; A232-C236 PolarHBondContact O-N 2.69Å; A232-C236 PolarHBondContact O-SG 2.96Å; A232-V239 HydrophobicContact CB-CG1 4.15Å; A232-V239 HydrophobicContact CB-CG2 3.97Å
233	V	94.8	Very high	96.6	Very high	1 Å²	1	12.4 Å²	12.4	1%	0.006	7%	0.066	C	C	.	.	H	α-helix	trans	-62.3	-36.3	174.8	173.3	0	0	0	0	110.9	L63 K64 M229 V230 Y303 I305	L63-V233 HydrophobicContact CB-CG1 3.87Å; L63-V233 HydrophobicContact CD1-CB 4.21Å; L63-V233 HydrophobicContact CD1-CG1 3.92Å; L63-V233 HydrophobicContact CG-CG1 4.5Å; K64-V233 VanDerWaalsContact CD-O 3.3Å; K64-V233 WeakPolarHBondContact CD-O 3.35Å; K64-V233 WeakPolarHBondContact CE-O 3.45Å; K64-V233 PolarHBondContact NZ-O 3.3Å; M229-V233 WeakPolarHBondContact O-CG2 3.07Å; M229-V233 PolarHBondContact O-N 3.34Å; V230-V233 PolarHBondContact O-N 3.47Å; V233-Y303 HydrophobicContact CG1-CD1 3.65Å; V233-Y303 HydrophobicContact CG1-CD2 3.92Å; V233-Y303 HydrophobicContact CG1-CE1 4.14Å; V233-Y303 HydrophobicContact CG1-CE2 4.39Å; V233-Y303 HydrophobicContact CG1-CG 3.54Å; V233-Y303 HydrophobicContact CG2-CD2 4.12Å; V233-Y303 HydrophobicContact CG2-CG 4.14Å; V233-I305 HydrophobicContact CG2-CD1 4.07Å; V233-I305 HydrophobicContact CG2-CG1 4.45Å
234	E	91.9	Very high	96.7	Very high	0 Å²	0	12.8 Å²	12.8	0%	0	7%	0.067	C	C	.	.	H	α-helix	trans	-65.9	-43	175.4	-82.4	-158.4	114.8	0	0	113.1	W66 F68 Y72 R199 V230 I231 A232	W66-E234 VanDerWaalsContact CB-OE1 3.31Å; W66-E234 WeakPolarHBondContact CB-OE1 3.37Å; F68-E234 HydrophobicContact CE2-CB 3.55Å; F68-E234 HydrophobicContact CE2-CG 4.2Å; F68-E234 WeakPolarHBondContact CE2-O 3.27Å; F68-E234 HydrophobicContact CZ-CB 3.7Å; Y72-E234 PolarHBondContact OH-OE2 3.44Å; R199-E234 IonicContact CZ-OE1 3.82Å; R199-E234 IonicContact NH1-OE1 2.97Å; R199-E234 PolarHBondContact NH1-OE1 3.16Å; R199-E234 IonicContact NH1-OE2 3.82Å; R199-E234 PolarHBondContact NH1-OE2 2.82Å; R199-E234 VanDerWaalsContact NH1-OE2 3.13Å; V230-E234 WeakPolarHBondContact O-CB 3.36Å; V230-E234 WeakPolarHBondContact O-CG 3.5Å; V230-E234 PolarHBondContact O-N 2.84Å; I231-E234 WeakPolarHBondContact O-CB 3.48Å; I231-E234 PolarHBondContact O-N 3.27Å; A232-E234 PolarHBondContact O-N 3.41Å
235	L	92.1	Very high	96.6	Very high	0 Å²	0	12.2 Å²	12.2	0%	0	6%	0.064	C	C	.	.	H	α-helix	trans	-82.9	-25.5	-176.9	-73.4	173.6	0	0	0	113.9	F68 L81 R84 C85 F133 I161 I231 A232	F68-L235 HydrophobicContact CE1-CD2 3.54Å; F68-L235 HydrophobicContact CE1-CG 4.34Å; F68-L235 HydrophobicContact CZ-CD2 3.63Å; F68-L235 HydrophobicContact CZ-CG 4.03Å; L81-L235 HydrophobicContact CD2-CD2 4.26Å; R84-L235 CarbonylContact C-O 3.58Å; R84-L235 WeakPolarHBondContact CA-O 3.45Å; R84-L235 WeakPolarHBondContact CB-O 3.35Å; C85-L235 PolarHBondContact N-O 3.41Å; F133-L235 HydrophobicContact CD1-CD1 4.15Å; F133-L235 HydrophobicContact CD2-CD1 4.25Å; F133-L235 HydrophobicContact CE1-CD1 4.09Å; F133-L235 HydrophobicContact CE2-CD1 4.18Å; F133-L235 HydrophobicContact CG-CD1 4.24Å; F133-L235 HydrophobicContact CZ-CD1 4.1Å; I161-L235 HydrophobicContact CD1-CD1 4.47Å; I231-L235 HydrophobicContact CG2-CD1 3.55Å; I231-L235 HydrophobicContact CG2-CG 4.18Å; I231-L235 WeakPolarHBondContact O-CB 3.47Å; I231-L235 VanDerWaalsContact O-CG 3.31Å; I231-L235 WeakPolarHBondContact O-CG 3.32Å; I231-L235 PolarHBondContact O-N 2.91Å; A232-L235 PolarHBondContact O-N 2.86Å
236	C	93.6	Very high	96.5	Very high	1 Å²	1	12.6 Å²	12.6	1%	0.007	6%	0.064	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	133	-161	-30	0	0	0	0	113.5	K64 C85 C88 A232 H238 V239	K64-C236 PolarHBondContact NZ-O 3.29Å; C85-C236 VanDerWaalsContact O-CA 3.22Å; C85-C236 WeakPolarHBondContact O-CA 3.33Å; C88-C236 HydrophobicContact CB-CB 3.49Å; C88-C236 VanDerWaalsContact CB-CB 3.49Å; C88-C236 WeakPolarHBondContact CB-SG 3.48Å; C88-C236 WeakPolarHBondContact SG-CB 3.33Å; C88-C236 CovalentContact SG-SG 1.99Å; C88-C236 PolarHBondContact SG-SG 2.96Å; A232-C236 WeakPolarHBondContact O-CB 3.47Å; A232-C236 PolarHBondContact O-N 2.69Å; A232-C236 PolarHBondContact O-SG 2.96Å; C236-H238 VanDerWaalsContact C-N 3.31Å; C236-H238 PolarHBondContact O-N 3.1Å; C236-V239 HydrophobicContact CB-CG2 4.36Å
237	D	92.8	Very high	96.3	Very high	76 Å²	76	13.5 Å²	13.5	41%	0.406	7%	0.07	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.7	-35.2	-178.5	-69.5	-21.5	0	0	0	113.5	K64 C85 N86	K64-D237 VanDerWaalsContact NZ-CA 3.33Å; K64-D237 IonicContact NZ-OD1 2.8Å; K64-D237 PolarHBondContact NZ-OD1 2.85Å; C85-D237 PolarHBondContact O-N 2.88Å; N86-D237 WeakPolarHBondContact O-CB 3.32Å; N86-D237 PolarHBondContact O-N 3.08Å; N86-D237 VanDerWaalsContact O-N 3.16Å
238	H	96	Very high	96.1	Very high	99 Å²	99	17.1 Å²	17.1	46%	0.458	9%	0.089	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	147.7	172.1	-63.2	-73.7	0	0	0	111	N86 Q87 C88 C236	N86-H238 PolarHBondContact O-N 3.41Å; Q87-H238 PolarHBondContact NE2-O 3.17Å; C88-H238 PolarHBondContact N-O 2.94Å; C236-H238 VanDerWaalsContact C-N 3.31Å; C236-H238 PolarHBondContact O-N 3.1Å
239	V	97.9	Very high	95.8	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	128.1	-179.2	-177.3	0	0	0	0	109.1	C88 I90 A232 C236 V241 G304 I305 T306	C88-V239 CarbonylContact O-C 3.18Å; C88-V239 WeakPolarHBondContact O-CA 3.22Å; I90-V239 HydrophobicContact CD1-CG1 3.66Å; I90-V239 HydrophobicContact CG1-CG1 4.07Å; A232-V239 HydrophobicContact CB-CG1 4.15Å; A232-V239 HydrophobicContact CB-CG2 3.97Å; C236-V239 HydrophobicContact CB-CG2 4.36Å; V239-V241 HydrophobicContact CG1-CG2 4.09Å; V239-G304 PolarHBondContact N-O 2.91Å; V239-I305 HydrophobicContact CB-CG1 4.29Å; V239-I305 HydrophobicContact CB-CG2 4.18Å; V239-I305 HydrophobicContact CG1-CG2 4.21Å; V239-I305 CarbonylContact O-C 3.6Å; V239-I305 VanDerWaalsContact O-CA 3.24Å; V239-I305 WeakPolarHBondContact O-CA 3.47Å; V239-T306 PolarHBondContact O-N 3.08Å; V239-T306 PolarHBondContact O-OG1 3.34Å
240	H	98.6	Very high	95.4	Very high	30 Å²	30	19.7 Å²	19.7	14%	0.139	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	138.5	168.4	-168.8	80.1	0	0	0	109.3	C88 V89 I90 Y242 T306 S308	C88-H240 PolarHBondContact O-N 3.09Å; V89-H240 CarbonylContact C-O 3.56Å; V89-H240 WeakPolarHBondContact CA-O 3.33Å; V89-H240 HydrophobicContact CG2-CB 4.35Å; I90-H240 PolarHBondContact N-O 2.9Å; H240-Y242 AromaticContact CD2-CD1 3.85Å; H240-Y242 AromaticContact CD2-CD2 3.86Å; H240-Y242 AromaticContact CD2-CE1 3.5Å; H240-Y242 VanDerWaalsContact CD2-CE1 3.5Å; H240-Y242 WeakPolarHBondContact CD2-CE1 3.3Å; H240-Y242 AromaticContact CD2-CE2 3.47Å; H240-Y242 VanDerWaalsContact CD2-CE2 3.47Å; H240-Y242 WeakPolarHBondContact CD2-CE2 3.26Å; H240-Y242 AromaticContact CD2-CZ 3.26Å; H240-Y242 AromaticContact NE2-CD1 3.61Å; H240-Y242 AromaticContact NE2-CE1 3.24Å; H240-Y242 WeakPolarHBondContact NE2-CE1 3.35Å; H240-Y242 AromaticContact NE2-CZ 3.52Å; H240-T306 CarbonylContact C-O 3.47Å; H240-T306 WeakPolarHBondContact CA-O 3.16Å; H240-T306 PolarHBondContact ND1-OG1 3.49Å; H240-S308 PolarHBondContact NE2-OG 3.12Å
241	V	98.8	Very high	94.9	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	117.3	-176.6	-173.1	0	0	0	0	109.6	I90 T92 M229 V239 M244 I305 T306 F307 S308	I90-V241 HydrophobicContact CB-CG1 4.36Å; I90-V241 HydrophobicContact CB-CG2 4.28Å; I90-V241 HydrophobicContact CD1-CG2 4.15Å; I90-V241 HydrophobicContact CG2-CG1 4.4Å; I90-V241 WeakPolarHBondContact O-CA 3.42Å; T92-V241 HydrophobicContact CG2-CG1 3.97Å; M229-V241 HydrophobicContact CE-CG2 3.83Å; V239-V241 HydrophobicContact CG1-CG2 4.09Å; V241-M244 HydrophobicContact CG1-CB 3.85Å; V241-M244 HydrophobicContact CG1-CE 3.93Å; V241-M244 HydrophobicContact CG1-SD 4.43Å; V241-I305 HydrophobicContact CG2-CG2 3.87Å; V241-T306 PolarHBondContact N-O 3.12Å; V241-F307 HydrophobicContact CB-CD1 3.61Å; V241-F307 HydrophobicContact CB-CE1 3.88Å; V241-F307 HydrophobicContact CB-CG 4.41Å; V241-F307 HydrophobicContact CG1-CD1 4.01Å; V241-F307 HydrophobicContact CG1-CE1 4.18Å; V241-F307 HydrophobicContact CG2-CD1 4.04Å; V241-F307 HydrophobicContact CG2-CE1 3.8Å; V241-F307 HydrophobicContact CG2-CZ 4.44Å; V241-F307 WeakPolarHBondContact O-CA 3.25Å; V241-S308 PolarHBondContact O-N 3.14Å
242	Y	98.8	Very high	93.8	Very high	10 Å²	10	30 Å²	30	4%	0.039	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97	140.9	172	-63.1	-73.6	0	0	0	111.1	V89 I90 T92 L102 E105 I106 H240 S308 H309	V89-Y242 HydrophobicContact CB-CE2 4.41Å; V89-Y242 HydrophobicContact CG1-CD2 3.34Å; V89-Y242 HydrophobicContact CG1-CE2 3.29Å; V89-Y242 HydrophobicContact CG2-CE2 4.23Å; I90-Y242 PolarHBondContact O-N 2.68Å; T92-Y242 VanDerWaalsContact CG2-O 3.32Å; T92-Y242 WeakPolarHBondContact CG2-O 3.48Å; T92-Y242 PolarHBondContact N-O 2.66Å; T92-Y242 PolarHBondContact OG1-O 3.33Å; L102-Y242 HydrophobicContact CD1-CD1 3.52Å; L102-Y242 HydrophobicContact CD1-CE1 3.92Å; L102-Y242 HydrophobicContact CD1-CG 4.06Å; L102-Y242 HydrophobicContact CD2-CD1 4.41Å; L102-Y242 HydrophobicContact CD2-CE1 3.94Å; E105-Y242 PolarHBondContact OE1-OH 2.92Å; I106-Y242 HydrophobicContact CD1-CD2 4.47Å; I106-Y242 HydrophobicContact CG1-CD2 4.25Å; I106-Y242 HydrophobicContact CG1-CE2 4.1Å; H240-Y242 AromaticContact CD2-CD1 3.85Å; H240-Y242 AromaticContact CD2-CD2 3.86Å; H240-Y242 AromaticContact CD2-CE1 3.5Å; H240-Y242 VanDerWaalsContact CD2-CE1 3.5Å; H240-Y242 WeakPolarHBondContact CD2-CE1 3.3Å; H240-Y242 AromaticContact CD2-CE2 3.47Å; H240-Y242 VanDerWaalsContact CD2-CE2 3.47Å; H240-Y242 WeakPolarHBondContact CD2-CE2 3.26Å; H240-Y242 AromaticContact CD2-CZ 3.26Å; H240-Y242 AromaticContact NE2-CD1 3.61Å; H240-Y242 AromaticContact NE2-CE1 3.24Å; H240-Y242 WeakPolarHBondContact NE2-CE1 3.35Å; H240-Y242 AromaticContact NE2-CZ 3.52Å; Y242-S308 WeakPolarHBondContact CA-O 3.25Å; Y242-S308 WeakPolarHBondContact CD1-OG 3.38Å; Y242-S308 WeakPolarHBondContact CE1-OG 3.21Å; Y242-H309 AromaticContact CD1-ND1 3.77Å
243	G	97.9	Very high	91.9	Very high	1 Å²	1	41.2 Å²	41.2	1%	0.01	20%	0.202	C	C	.	.	S	Bend	trans	80.1	29.7	170.8	0	0	0	0	0	113.3	T92 S94 S308 H309	T92-G243 PolarHBondContact OG1-O 3.5Å; S94-G243 WeakPolarHBondContact CB-O 3.37Å; G243-S308 PolarHBondContact N-O 3.26Å; G243-H309 WeakPolarHBondContact CA-O 3.32Å; G243-H309 PolarHBondContact N-O 3.09Å
244	M	98.1	Very high	90.3	Very high	16 Å²	16	47.1 Å²	47.1	8%	0.079	24%	0.24	C	C	.	.			trans	-119.8	124	176.1	-159.2	179.8	-76.6	0	0	109.7	T92 V241 K293 F296 F307 W312	T92-M244 HydrophobicContact CG2-CB 4.06Å; T92-M244 HydrophobicContact CG2-CE 3.75Å; V241-M244 HydrophobicContact CG1-CB 3.85Å; V241-M244 HydrophobicContact CG1-CE 3.93Å; V241-M244 HydrophobicContact CG1-SD 4.43Å; M244-K293 HydrophobicContact SD-CG 4.24Å; M244-F296 HydrophobicContact CE-CD2 4.45Å; M244-F296 HydrophobicContact CE-CE2 4.33Å; M244-F296 HydrophobicContact SD-CD2 3.86Å; M244-F296 HydrophobicContact SD-CE2 4.21Å; M244-F307 HydrophobicContact CB-CD1 4.38Å; M244-F307 HydrophobicContact SD-CE1 4.14Å; M244-W312 HydrophobicContact CB-CZ2 4.22Å; M244-W312 HydrophobicContact CG-CZ2 3.78Å; M244-W312 PolarHBondContact O-NE1 3.32Å; M244-W312 HydrophobicContact SD-CH2 4.06Å; M244-W312 HydrophobicContact SD-CZ2 3.78Å
245	V	96.3	Very high	89.2	Confident	1 Å²	1	51.7 Å²	51.7	1%	0.006	26%	0.258	C	S	.	.			trans	-81.4	146.6	175.7	-57.2	0	0	0	0	111.6	H96 Y249 Y275 K293 P310 W312	H96-V245 WeakPolarHBondContact NE2-CG1 3.19Å; V245-Y249 HydrophobicContact CB-CD1 3.48Å; V245-Y249 VanDerWaalsContact CB-CD1 3.48Å; V245-Y249 HydrophobicContact CB-CD2 4.01Å; V245-Y249 HydrophobicContact CB-CE1 3.95Å; V245-Y249 HydrophobicContact CB-CE2 4.47Å; V245-Y249 HydrophobicContact CB-CG 3.51Å; V245-Y249 HydrophobicContact CG1-CD1 3.66Å; V245-Y249 HydrophobicContact CG1-CD2 4.21Å; V245-Y249 HydrophobicContact CG1-CE1 3.55Å; V245-Y249 HydrophobicContact CG1-CE2 4.17Å; V245-Y249 HydrophobicContact CG1-CG 3.99Å; V245-Y249 HydrophobicContact CG2-CD1 3.53Å; V245-Y249 HydrophobicContact CG2-CE1 4.18Å; V245-Y249 HydrophobicContact CG2-CG 3.91Å; V245-Y275 HydrophobicContact CG2-CD2 4.36Å; V245-Y275 HydrophobicContact CG2-CE2 3.64Å; V245-K293 VanDerWaalsContact CG2-NZ 3.28Å; V245-K293 WeakPolarHBondContact O-CD 3.49Å; V245-K293 WeakPolarHBondContact O-CE 3.38Å; V245-K293 PolarHBondContact O-NZ 3.21Å; V245-P310 HydrophobicContact CB-CG 4.34Å; V245-P310 HydrophobicContact CG1-CG 3.97Å; V245-W312 VanDerWaalsContact O-CZ2 3.26Å; V245-W312 WeakPolarHBondContact O-CZ2 3.25Å
246	P	96.2	Very high	87.8	Confident	24 Å²	24	60.7 Å²	60.7	16%	0.156	31%	0.305	C	S	.	.			trans	-64.6	161.1	179.7	26.5	-34	0	0	0	112.3	D248 Y249 W312	P246-D248 VanDerWaalsContact C-N 3.26Å; P246-D248 PolarHBondContact O-N 3.09Å; P246-Y249 WeakPolarHBondContact O-CB 3.48Å; P246-Y249 PolarHBondContact O-N 2.91Å; P246-Y249 VanDerWaalsContact O-N 3.1Å; P246-W312 HydrophobicContact CB-CD2 4.11Å; P246-W312 HydrophobicContact CB-CG 4.06Å
247	P	95.1	Very high	87.2	Confident	19 Å²	19	67.4 Å²	67.4	12%	0.123	34%	0.336	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.7	-28.3	-173.2	22.1	-33	0	0	0	114.5	I290 K293 R294	P247-I290 HydrophobicContact CB-CG2 4.27Å; P247-I290 WeakPolarHBondContact O-CG2 3.22Å; P247-K293 HydrophobicContact CB-CB 3.92Å; P247-R294 HydrophobicContact CB-CG 3.58Å; P247-R294 HydrophobicContact CG-CG 4.02Å
248	D	93	Very high	87	Confident	78 Å²	78	71.1 Å²	71.1	42%	0.417	34%	0.344	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.2	-3.4	179.4	69.8	-46.1	0	0	0	113.4	P246 C250 S251 Q252	P246-D248 VanDerWaalsContact C-N 3.26Å; P246-D248 PolarHBondContact O-N 3.09Å; D248-C250 PolarHBondContact O-N 3.33Å; D248-C250 VanDerWaalsContact O-N 3.1Å; D248-S251 WeakPolarHBondContact O-CB 3.43Å; D248-S251 PolarHBondContact O-N 3.01Å; D248-Q252 PolarHBondContact OD2-NE2 2.79Å
249	Y	92.3	Very high	86.9	Confident	36 Å²	36	68.2 Å²	68.2	14%	0.141	33%	0.332	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54.4	-35.8	-175	179.6	-106.3	0	0	0	114	H96 V245 P246 R255 E271	H96-Y249 AromaticContact CE1-CZ 3.45Å; H96-Y249 VanDerWaalsContact CE1-CZ 3.45Å; H96-Y249 PolarHBondContact CE1-OH 3.45Å; H96-Y249 AromaticContact NE2-CE1 3.83Å; H96-Y249 AromaticContact NE2-CZ 3.61Å; H96-Y249 PolarHBondContact NE2-OH 2.96Å; V245-Y249 HydrophobicContact CB-CD1 3.48Å; V245-Y249 VanDerWaalsContact CB-CD1 3.48Å; V245-Y249 HydrophobicContact CB-CD2 4.01Å; V245-Y249 HydrophobicContact CB-CE1 3.95Å; V245-Y249 HydrophobicContact CB-CE2 4.47Å; V245-Y249 HydrophobicContact CB-CG 3.51Å; V245-Y249 HydrophobicContact CG1-CD1 3.66Å; V245-Y249 HydrophobicContact CG1-CD2 4.21Å; V245-Y249 HydrophobicContact CG1-CE1 3.55Å; V245-Y249 HydrophobicContact CG1-CE2 4.17Å; V245-Y249 HydrophobicContact CG1-CG 3.99Å; V245-Y249 HydrophobicContact CG2-CD1 3.53Å; V245-Y249 HydrophobicContact CG2-CE1 4.18Å; V245-Y249 HydrophobicContact CG2-CG 3.91Å; P246-Y249 WeakPolarHBondContact O-CB 3.48Å; P246-Y249 PolarHBondContact O-N 2.91Å; P246-Y249 VanDerWaalsContact O-N 3.1Å; Y249-R255 VanDerWaalsContact CD1-NH2 3.32Å; Y249-R255 VanDerWaalsContact CZ-NH1 3.33Å; Y249-R255 PolarHBondContact O-NH2 2.74Å; Y249-R255 PolarHBondContact OH-NE 3.1Å; Y249-R255 PolarHBondContact OH-NH1 3.39Å; Y249-R255 PolarHBondContact OH-NH2 3.29Å; Y249-E271 VanDerWaalsContact CE1-OE2 3.27Å; Y249-E271 WeakPolarHBondContact CE1-OE2 3.43Å
250	C	91.2	Very high	86.8	Confident	20 Å²	20	69.2 Å²	69.2	14%	0.135	34%	0.338	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.4	1.1	-179.6	-63.4	0	0	0	0	114	D248 C272 I276	D248-C250 PolarHBondContact O-N 3.33Å; D248-C250 VanDerWaalsContact O-N 3.1Å; C250-C272 WeakPolarHBondContact CA-SG 3.27Å; C250-C272 HydrophobicContact CB-CB 3.72Å; C250-C272 WeakPolarHBondContact CB-SG 3.34Å; C250-C272 WeakPolarHBondContact SG-CA 3.49Å; C250-C272 WeakPolarHBondContact SG-CB 3.36Å; C250-C272 CovalentContact SG-SG 2.04Å; C250-C272 PolarHBondContact SG-SG 3.31Å; C250-I276 HydrophobicContact CB-CD1 4.19Å; C250-I276 HydrophobicContact CB-CG1 4.27Å
251	S	86.1	Confident	86.8	Confident	94 Å²	94	69.9 Å²	69.9	66%	0.657	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.7	-12	176.6	-57.4	0	0	0	0	112.8	D248	D248-S251 WeakPolarHBondContact O-CB 3.43Å; D248-S251 PolarHBondContact O-N 3.01Å
252	Q	71.8	Confident	86.7	Confident	123 Å²	123	71.5 Å²	71.5	58%	0.575	35%	0.347	S	S	*	.	S	Bend	trans	-80.4	155.6	-178.1	-58.6	178.6	8.5	0	0	111.2	D248	D248-Q252 PolarHBondContact OD2-NE2 2.79Å
253	R	57.3	Low	86.7	Confident	237 Å²	237	71.2 Å²	71.2	89%	0.894	35%	0.346	S	S	*	.	S	Bend	trans	-45.2	160.3	-173.4	-80.7	-171.2	-178.9	-166.3	1.9	114.7	R255	R253-R255 PolarHBondContact O-N 2.92Å
254	P	61.8	Low	86.7	Confident	124 Å²	124	72.8 Å²	72.8	81%	0.805	35%	0.352	S	S	*	.			trans	-52.3	126.3	-165.7	-21.7	30.6	0	0	0	112.3
255	R	67.4	Low	86.7	Confident	97 Å²	97	75.9 Å²	75.9	37%	0.366	37%	0.366	S	S	.	.			trans	-72.2	132	173.6	-73.8	-154.1	171.5	90.6	25.5	110.4	Y249 R253 C272	Y249-R255 VanDerWaalsContact CD1-NH2 3.32Å; Y249-R255 VanDerWaalsContact CZ-NH1 3.33Å; Y249-R255 PolarHBondContact O-NH2 2.74Å; Y249-R255 PolarHBondContact OH-NE 3.1Å; Y249-R255 PolarHBondContact OH-NH1 3.39Å; Y249-R255 PolarHBondContact OH-NH2 3.29Å; R253-R255 PolarHBondContact O-N 2.92Å; R255-C272 PolarHBondContact NH1-SG 3.12Å
256	L	63.5	Low	86.6	Confident	189 Å²	189	80 Å²	80	99%	0.99	39%	0.393	S	S	*	.	S	Bend	trans	-72.3	-21.1	171.3	-66.7	168.1	0	0	0	112
257	Q	81.1	Confident	86.5	Confident	142 Å²	142	88.2 Å²	88.2	66%	0.664	43%	0.426	S	S	*	.	S	Bend	trans	-122.2	129.5	-175	-170.5	170.9	-0.2	0	0	112
258	R	88.4	Confident	86.6	Confident	153 Å²	153	88 Å²	88	58%	0.577	43%	0.427	S	S	*	.			trans	-68.8	131.4	170.4	176.7	180	176.2	161.8	-3.2	109.7	G268 D270	R258-G268 PolarHBondContact NH2-O 3.17Å; R258-D270 HydrophobicContact CG-CB 4.27Å
259	M	93.3	Very high	86.7	Confident	39 Å²	39	87.4 Å²	87.4	19%	0.192	43%	0.428	C	S	.	.			trans	-115.4	116.5	175.9	-68.3	-61.7	-69.3	0	0	109	D270 E271	M259-D270 PolarHBondContact N-OD2 3.46Å; M259-D270 CarbonylContact O-C 3.56Å; M259-D270 WeakPolarHBondContact O-CA 3.33Å; M259-E271 HydrophobicContact CB-CB 4.35Å; M259-E271 PolarHBondContact O-N 3.12Å
260	P	96.9	Very high	86.8	Confident	21 Å²	21	87.4 Å²	87.4	14%	0.136	43%	0.43	C	S	.	.	B	Isolated β-bridge	trans	-58.5	142.5	176.3	-23.6	33.8	0	0	0	111.6	S95 H262	S95-P260 WeakPolarHBondContact CB-O 3.04Å; S95-P260 PolarHBondContact OG-O 3.27Å; P260-H262 VanDerWaalsContact C-N 3.26Å; P260-H262 PolarHBondContact O-N 3.21Å
261	Y	96.9	Very high	87	Confident	44 Å²	44	86.4 Å²	86.4	17%	0.173	42%	0.424	C	S	.	.	S	Bend	trans	-62.8	-35.4	178.7	179.3	-124.2	0	0	0	112.5	P269 E271 T274 Y275	Y261-P269 WeakPolarHBondContact CB-O 3.22Å; Y261-P269 PolarHBondContact N-O 2.91Å; Y261-E271 HydrophobicContact CD2-CG 4.37Å; Y261-T274 HydrophobicContact CD1-CG2 4.04Å; Y261-T274 HydrophobicContact CD2-CG2 4.04Å; Y261-T274 HydrophobicContact CE1-CG2 4.14Å; Y261-T274 HydrophobicContact CE2-CG2 4.19Å; Y261-T274 HydrophobicContact CG-CG2 3.98Å; Y261-Y275 HydrophobicContact CD2-CE1 4.1Å; Y261-Y275 HydrophobicContact CE2-CD1 4.06Å; Y261-Y275 AromaticContact CE2-CE1 3.31Å; Y261-Y275 HydrophobicContact CE2-CE1 3.31Å; Y261-Y275 AromaticContact CE2-CZ 3.76Å
262	H	98.3	Very high	87.4	Confident	33 Å²	33	82.6 Å²	82.6	15%	0.153	40%	0.397	C	S	.	.	S	Bend	trans	-119.3	142.5	176.6	-63.4	147.3	0	0	0	112.7	S93 P260 Y264 E265	S93-H262 WeakPolarHBondContact CB-CD2 3.43Å; S93-H262 CarbonylContact O-C 3.56Å; S93-H262 WeakPolarHBondContact O-CA 3.22Å; P260-H262 VanDerWaalsContact C-N 3.26Å; P260-H262 PolarHBondContact O-N 3.21Å; H262-Y264 HydrophobicContact CB-CD1 4Å; H262-Y264 HydrophobicContact CB-CE1 3.77Å; H262-Y264 HydrophobicContact CB-CE2 4.38Å; H262-Y264 HydrophobicContact CB-CG 4.43Å; H262-Y264 AromaticContact CG-CE1 3.95Å; H262-Y264 AromaticContact CG-CZ 3.85Å; H262-Y264 AromaticContact ND1-CZ 3.76Å; H262-Y264 PolarHBondContact ND1-OH 3.45Å; H262-Y264 PolarHBondContact O-N 2.95Å; H262-E265 HydrophobicContact CB-CB 4.21Å; H262-E265 HydrophobicContact CB-CG 4.32Å; H262-E265 IonicContact CE1-OE2 3.88Å; H262-E265 IonicContact CG-OE2 2.7Å; H262-E265 IonicContact ND1-OE2 3.67Å; H262-E265 PolarHBondContact ND1-OE2 3.03Å; H262-E265 PolarHBondContact O-N 2.88Å
263	Y	98.4	Very high	88.5	Confident	4 Å²	4	80 Å²	80	2%	0.016	39%	0.389	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-27.5	176.2	63.9	-106.6	0	0	0	113.1	S93 L97 A118 P119 Y123 V127	S93-Y263 VanDerWaalsContact C-CD1 3.49Å; S93-Y263 VanDerWaalsContact O-CD1 3.22Å; S93-Y263 WeakPolarHBondContact O-CD1 3.24Å; S93-Y263 PolarHBondContact O-N 2.8Å; L97-Y263 HydrophobicContact CD1-CD1 4.12Å; L97-Y263 HydrophobicContact CD1-CE1 4.27Å; A118-Y263 HydrophobicContact CB-CE1 4.45Å; A118-Y263 WeakPolarHBondContact CB-OH 3.35Å; P119-Y263 HydrophobicContact CG-CE2 4.37Å; P119-Y263 VanDerWaalsContact O-CE2 3.24Å; P119-Y263 WeakPolarHBondContact O-CE2 3.49Å; P119-Y263 VanDerWaalsContact O-CZ 3.32Å; P119-Y263 PolarHBondContact O-OH 3.36Å; Y123-Y263 AromaticContact CD1-CD2 3.75Å; Y123-Y263 HydrophobicContact CD1-CD2 3.75Å; Y123-Y263 HydrophobicContact CD1-CE2 4.33Å; Y123-Y263 HydrophobicContact CD2-CD2 4.01Å; Y123-Y263 AromaticContact CD2-CE2 3.84Å; Y123-Y263 HydrophobicContact CD2-CE2 3.84Å; Y123-Y263 HydrophobicContact CE1-CD2 4.11Å; Y123-Y263 WeakPolarHBondContact CE1-O 3.08Å; Y123-Y263 HydrophobicContact CE2-CD2 4.37Å; Y123-Y263 HydrophobicContact CE2-CE2 4.43Å; Y123-Y263 AromaticContact CG-CD2 3.71Å; Y123-Y263 HydrophobicContact CG-CD2 3.71Å; Y123-Y263 AromaticContact CG-CE2 3.8Å; Y123-Y263 HydrophobicContact CG-CE2 3.8Å; V127-Y263 HydrophobicContact CG1-CD1 4.4Å; V127-Y263 HydrophobicContact CG1-CE1 4.16Å; V127-Y263 HydrophobicContact CG1-CE2 4.46Å
264	Y	97.9	Very high	90.3	Very high	35 Å²	35	69.4 Å²	69.4	14%	0.137	35%	0.351	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96.3	3.9	-176.6	58.8	-88.7	0	0	0	114	A118 P119 Y123 H262	A118-Y264 HydrophobicContact CB-CD1 4.48Å; A118-Y264 HydrophobicContact CB-CE1 3.86Å; P119-Y264 HydrophobicContact CG-CD1 4.28Å; P119-Y264 HydrophobicContact CG-CD2 4.3Å; P119-Y264 HydrophobicContact CG-CG 3.82Å; Y123-Y264 WeakPolarHBondContact OH-CA 3.24Å; H262-Y264 HydrophobicContact CB-CD1 4Å; H262-Y264 HydrophobicContact CB-CE1 3.77Å; H262-Y264 HydrophobicContact CB-CE2 4.38Å; H262-Y264 HydrophobicContact CB-CG 4.43Å; H262-Y264 AromaticContact CG-CE1 3.95Å; H262-Y264 AromaticContact CG-CZ 3.85Å; H262-Y264 AromaticContact ND1-CZ 3.76Å; H262-Y264 PolarHBondContact ND1-OH 3.45Å; H262-Y264 PolarHBondContact O-N 2.95Å
265	E	97	Very high	91.9	Very high	81 Å²	81	64.3 Å²	64.3	38%	0.379	32%	0.316	S	S	.	.			trans	-129.6	70.5	177.5	-60.7	-179.4	138.7	0	0	109.5	H262 K267 G268	H262-E265 HydrophobicContact CB-CB 4.21Å; H262-E265 HydrophobicContact CB-CG 4.32Å; H262-E265 IonicContact CE1-OE2 3.88Å; H262-E265 IonicContact CG-OE2 2.7Å; H262-E265 IonicContact ND1-OE2 3.67Å; H262-E265 PolarHBondContact ND1-OE2 3.03Å; H262-E265 PolarHBondContact O-N 2.88Å; E265-K267 PolarHBondContact O-N 3.5Å; E265-G268 WeakPolarHBondContact O-CA 3.49Å; E265-G268 PolarHBondContact O-N 2.59Å
266	P	93.9	Very high	93.1	Very high	87 Å²	87	62.9 Å²	62.9	57%	0.565	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.5	-23	-175.5	23.8	-34.6	0	0	0	113.5
267	K	95.8	Very high	94.6	Very high	197 Å²	197	59.9 Å²	59.9	86%	0.857	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.7	1.9	173.5	-62	-176.9	179.9	179.7	0	113.4	E265	E265-K267 PolarHBondContact O-N 3.5Å
268	G	95.7	Very high	95.2	Very high	14 Å²	14	54.5 Å²	54.5	14%	0.144	27%	0.271	C	S	.	.	S	Bend	trans	-68	177.1	179.6	0	0	0	0	0	113.1	R258 E265	R258-G268 PolarHBondContact NH2-O 3.17Å; E265-G268 WeakPolarHBondContact O-CA 3.49Å; E265-G268 PolarHBondContact O-N 2.59Å
269	P	95.4	Very high	95.5	Very high	66 Å²	66	47.8 Å²	47.8	43%	0.429	25%	0.246	S	C	.	.			trans	-63.4	156.8	-178.1	30.2	-36.3	0	0	0	111.4	Y261 T274	Y261-P269 WeakPolarHBondContact CB-O 3.22Å; Y261-P269 PolarHBondContact N-O 2.91Å; P269-T274 WeakPolarHBondContact CB-OG1 3.43Å
270	D	95.4	Very high	95.4	Very high	35 Å²	35	51.8 Å²	51.8	19%	0.187	26%	0.264	C	S	.	.	B	Isolated β-bridge	trans	-67.1	140.4	173.6	178.6	-91.1	0	0	0	111	R258 M259 C272 V273 T274	R258-D270 HydrophobicContact CG-CB 4.27Å; M259-D270 PolarHBondContact N-OD2 3.46Å; M259-D270 CarbonylContact O-C 3.56Å; M259-D270 WeakPolarHBondContact O-CA 3.33Å; D270-C272 PolarHBondContact O-N 3.27Å; D270-C272 PolarHBondContact OD1-N 2.67Å; D270-V273 HydrophobicContact CB-CB 4.03Å; D270-V273 HydrophobicContact CB-CG2 3.88Å; D270-V273 PolarHBondContact O-N 2.78Å; D270-V273 PolarHBondContact OD1-N 2.74Å; D270-V273 VanDerWaalsContact OD1-N 3.11Å; D270-T274 VanDerWaalsContact O-CB 3.32Å; D270-T274 WeakPolarHBondContact O-CB 3.25Å; D270-T274 PolarHBondContact O-N 3Å; D270-T274 PolarHBondContact O-OG1 3.2Å
271	E	95.4	Very high	95.1	Very high	0 Å²	0	52.6 Å²	52.6	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-57.2	-50.8	-176.6	179.1	-179.9	-125	0	0	111.7	S94 H96 Y249 M259 Y261 T274 Y275	S94-E271 PolarHBondContact OG-OE1 3.33Å; H96-E271 IonicContact CD2-OE1 3.75Å; H96-E271 IonicContact CD2-OE2 2.58Å; H96-E271 IonicContact NE2-OE1 3.13Å; H96-E271 IonicContact NE2-OE2 3.27Å; H96-E271 PolarHBondContact NE2-OE2 2.98Å; Y249-E271 VanDerWaalsContact CE1-OE2 3.27Å; Y249-E271 WeakPolarHBondContact CE1-OE2 3.43Å; M259-E271 HydrophobicContact CB-CB 4.35Å; M259-E271 PolarHBondContact O-N 3.12Å; Y261-E271 HydrophobicContact CD2-CG 4.37Å; E271-T274 WeakPolarHBondContact O-CB 3.28Å; E271-T274 PolarHBondContact O-N 3.08Å; E271-Y275 HydrophobicContact CG-CD2 3.92Å; E271-Y275 HydrophobicContact CG-CE2 3.42Å; E271-Y275 VanDerWaalsContact CG-CE2 3.42Å; E271-Y275 PolarHBondContact O-N 3.46Å
272	C	94.4	Very high	94.5	Very high	14 Å²	14	59.5 Å²	59.5	10%	0.095	30%	0.296	C	S	.	.	H	α-helix	trans	-76	-35.2	-176.3	-80.1	0	0	0	0	112.6	C250 R255 D270 T274 Y275 I276	C250-C272 WeakPolarHBondContact CA-SG 3.27Å; C250-C272 HydrophobicContact CB-CB 3.72Å; C250-C272 WeakPolarHBondContact CB-SG 3.34Å; C250-C272 WeakPolarHBondContact SG-CA 3.49Å; C250-C272 WeakPolarHBondContact SG-CB 3.36Å; C250-C272 CovalentContact SG-SG 2.04Å; C250-C272 PolarHBondContact SG-SG 3.31Å; R255-C272 PolarHBondContact NH1-SG 3.12Å; D270-C272 PolarHBondContact O-N 3.27Å; D270-C272 PolarHBondContact OD1-N 2.67Å; C272-T274 VanDerWaalsContact C-N 3.28Å; C272-T274 PolarHBondContact O-N 3.44Å; C272-Y275 PolarHBondContact O-N 3.06Å; C272-I276 WeakPolarHBondContact O-CB 3.42Å; C272-I276 VanDerWaalsContact O-CG1 3.24Å; C272-I276 WeakPolarHBondContact O-CG1 3.24Å; C272-I276 PolarHBondContact O-N 3.2Å
273	V	94	Very high	93.5	Very high	69 Å²	69	66.7 Å²	66.7	42%	0.418	33%	0.327	S	S	.	.	H	α-helix	trans	-57.6	-47	170.3	176.4	0	0	0	0	110	D270 Y275 I276 Q277	D270-V273 HydrophobicContact CB-CB 4.03Å; D270-V273 HydrophobicContact CB-CG2 3.88Å; D270-V273 PolarHBondContact O-N 2.78Å; D270-V273 PolarHBondContact OD1-N 2.74Å; D270-V273 VanDerWaalsContact OD1-N 3.11Å; V273-Y275 PolarHBondContact O-N 3.43Å; V273-I276 PolarHBondContact O-N 3.43Å; V273-Q277 HydrophobicContact CG1-CG 4.23Å; V273-Q277 VanDerWaalsContact O-CB 3.26Å; V273-Q277 WeakPolarHBondContact O-CB 3.15Å; V273-Q277 WeakPolarHBondContact O-CG 3.12Å; V273-Q277 PolarHBondContact O-N 3.19Å
274	T	95	Very high	92.2	Very high	14 Å²	14	69 Å²	69	9%	0.086	35%	0.353	C	S	.	.	H	α-helix	trans	-59.6	-47	178.2	-59.8	0	0	0	0	111.5	Y261 P269 D270 E271 C272 N278 F289	Y261-T274 HydrophobicContact CD1-CG2 4.04Å; Y261-T274 HydrophobicContact CD2-CG2 4.04Å; Y261-T274 HydrophobicContact CE1-CG2 4.14Å; Y261-T274 HydrophobicContact CE2-CG2 4.19Å; Y261-T274 HydrophobicContact CG-CG2 3.98Å; P269-T274 WeakPolarHBondContact CB-OG1 3.43Å; D270-T274 VanDerWaalsContact O-CB 3.32Å; D270-T274 WeakPolarHBondContact O-CB 3.25Å; D270-T274 PolarHBondContact O-N 3Å; D270-T274 PolarHBondContact O-OG1 3.2Å; E271-T274 WeakPolarHBondContact O-CB 3.28Å; E271-T274 PolarHBondContact O-N 3.08Å; C272-T274 VanDerWaalsContact C-N 3.28Å; C272-T274 PolarHBondContact O-N 3.44Å; T274-N278 WeakPolarHBondContact O-CB 3.25Å; T274-N278 PolarHBondContact O-N 2.6Å; T274-N278 VanDerWaalsContact O-N 3.1Å; T274-N278 PolarHBondContact O-ND2 3.46Å; T274-F289 HydrophobicContact CG2-CE2 4.4Å
275	Y	95.2	Very high	91.3	Very high	17 Å²	17	73.9 Å²	73.9	7%	0.067	38%	0.381	C	S	.	.	H	α-helix	trans	-64.5	-49.7	179.3	-69.8	-23.3	0	0	0	113.1	V245 Y261 E271 C272 V273 Q277 N278 E279 F289 K293	V245-Y275 HydrophobicContact CG2-CD2 4.36Å; V245-Y275 HydrophobicContact CG2-CE2 3.64Å; Y261-Y275 HydrophobicContact CD2-CE1 4.1Å; Y261-Y275 HydrophobicContact CE2-CD1 4.06Å; Y261-Y275 AromaticContact CE2-CE1 3.31Å; Y261-Y275 HydrophobicContact CE2-CE1 3.31Å; Y261-Y275 AromaticContact CE2-CZ 3.76Å; E271-Y275 HydrophobicContact CG-CD2 3.92Å; E271-Y275 HydrophobicContact CG-CE2 3.42Å; E271-Y275 VanDerWaalsContact CG-CE2 3.42Å; E271-Y275 PolarHBondContact O-N 3.46Å; C272-Y275 PolarHBondContact O-N 3.06Å; V273-Y275 PolarHBondContact O-N 3.43Å; Y275-Q277 PolarHBondContact O-N 3.28Å; Y275-N278 PolarHBondContact O-N 2.91Å; Y275-E279 VanDerWaalsContact O-CB 3.22Å; Y275-E279 WeakPolarHBondContact O-CB 3.41Å; Y275-E279 PolarHBondContact O-N 3.31Å; Y275-F289 HydrophobicContact CD1-CB 3.8Å; Y275-F289 AromaticContact CD1-CD2 3.51Å; Y275-F289 HydrophobicContact CD1-CD2 3.51Å; Y275-F289 HydrophobicContact CD1-CE2 4.16Å; Y275-F289 AromaticContact CD1-CG 3.82Å; Y275-F289 HydrophobicContact CD1-CG 3.82Å; Y275-F289 HydrophobicContact CE1-CB 4.14Å; Y275-F289 HydrophobicContact CE1-CD2 4.06Å; Y275-F289 HydrophobicContact CE1-CG 4.07Å; Y275-F289 HydrophobicContact CG-CB 4.47Å; Y275-K293 PolarHBondContact OH-NZ 3.14Å; Y275-K293 VanDerWaalsContact OH-NZ 3.1Å
276	I	94.2	Very high	91	Very high	66 Å²	66	70.2 Å²	70.2	34%	0.338	36%	0.364	S	S	.	.	H	α-helix	trans	-64.9	-42.7	-177.8	-67.6	169.7	0	0	0	110.8	C250 C272 V273 E279 H280	C250-I276 HydrophobicContact CB-CD1 4.19Å; C250-I276 HydrophobicContact CB-CG1 4.27Å; C272-I276 WeakPolarHBondContact O-CB 3.42Å; C272-I276 VanDerWaalsContact O-CG1 3.24Å; C272-I276 WeakPolarHBondContact O-CG1 3.24Å; C272-I276 PolarHBondContact O-N 3.2Å; V273-I276 PolarHBondContact O-N 3.43Å; I276-E279 PolarHBondContact O-N 3.08Å; I276-H280 PolarHBondContact O-N 3.31Å; I276-H280 VanDerWaalsContact O-N 3.08Å; I276-H280 PolarHBondContact O-ND1 3.25Å
277	Q	93.7	Very high	91	Very high	126 Å²	126	68.3 Å²	68.3	59%	0.589	35%	0.347	S	S	*	.	H	α-helix	trans	-63.5	-44.8	178.5	-74.8	177.8	-9.1	0	0	111.8	V273 Y275 S281	V273-Q277 HydrophobicContact CG1-CG 4.23Å; V273-Q277 VanDerWaalsContact O-CB 3.26Å; V273-Q277 WeakPolarHBondContact O-CB 3.15Å; V273-Q277 WeakPolarHBondContact O-CG 3.12Å; V273-Q277 PolarHBondContact O-N 3.19Å; Y275-Q277 PolarHBondContact O-N 3.28Å; Q277-S281 VanDerWaalsContact O-CB 3.25Å; Q277-S281 WeakPolarHBondContact O-CB 3.1Å; Q277-S281 PolarHBondContact O-N 3.48Å
278	N	94.6	Very high	91	Very high	30 Å²	30	59.9 Å²	59.9	16%	0.16	31%	0.31	C	S	.	.	H	α-helix	trans	-65.5	-46.6	176.9	-85.6	-90.6	0	0	0	111.4	T274 Y275 H280 S281 H286 H287 R288 F289	T274-N278 WeakPolarHBondContact O-CB 3.25Å; T274-N278 PolarHBondContact O-N 2.6Å; T274-N278 VanDerWaalsContact O-N 3.1Å; T274-N278 PolarHBondContact O-ND2 3.46Å; Y275-N278 PolarHBondContact O-N 2.91Å; N278-H280 VanDerWaalsContact C-N 3.27Å; N278-H280 PolarHBondContact O-N 2.73Å; N278-S281 PolarHBondContact O-N 2.77Å; N278-H286 WeakPolarHBondContact OD1-CA 3.5Å; N278-H287 CarbonylContact C-O 3.6Å; N278-H287 WeakPolarHBondContact CB-O 3.25Å; N278-H287 PolarHBondContact OD1-N 3.39Å; N278-R288 PolarHBondContact O-NH1 3.43Å; N278-F289 HydrophobicContact CB-CD2 3.58Å; N278-F289 HydrophobicContact CB-CE2 3.58Å; N278-F289 VanDerWaalsContact CG-CE2 3.48Å
279	E	94.2	Very high	91	Very high	12 Å²	12	60.1 Å²	60.1	6%	0.056	31%	0.307	C	S	.	.	H	α-helix	trans	-59.4	-37.1	-177.8	-171.9	64.8	-151.3	0	0	112.4	Y275 I276 R288 F289 I290 T291	Y275-E279 VanDerWaalsContact O-CB 3.22Å; Y275-E279 WeakPolarHBondContact O-CB 3.41Å; Y275-E279 PolarHBondContact O-N 3.31Å; I276-E279 PolarHBondContact O-N 3.08Å; E279-R288 PolarHBondContact O-NH1 2.86Å; E279-R288 VanDerWaalsContact OE2-CA 3.25Å; E279-R288 WeakPolarHBondContact OE2-CA 3.45Å; E279-F289 PolarHBondContact OE2-N 3.42Å; E279-F289 VanDerWaalsContact OE2-N 3.16Å; E279-I290 HydrophobicContact CB-CD1 4.12Å; E279-I290 HydrophobicContact CB-CG1 4.48Å; E279-I290 HydrophobicContact CG-CB 3.99Å; E279-I290 HydrophobicContact CG-CD1 4.1Å; E279-I290 HydrophobicContact CG-CG1 4.38Å; E279-I290 WeakPolarHBondContact OE2-CA 3.31Å; E279-I290 WeakPolarHBondContact OE2-CB 3.21Å; E279-I290 PolarHBondContact OE2-N 2.77Å; E279-T291 WeakPolarHBondContact OE1-CB 3.15Å; E279-T291 PolarHBondContact OE1-OG1 3.32Å; E279-T291 PolarHBondContact OE2-N 3.25Å
280	H	92	Very high	91	Very high	123 Å²	123	57.5 Å²	57.5	57%	0.569	29%	0.289	S	S	*	.	H	α-helix	trans	-97.6	-10.7	-177.6	-63.1	131.5	0	0	0	114.9	I276 N278	I276-H280 PolarHBondContact O-N 3.31Å; I276-H280 VanDerWaalsContact O-N 3.08Å; I276-H280 PolarHBondContact O-ND1 3.25Å; N278-H280 VanDerWaalsContact C-N 3.27Å; N278-H280 PolarHBondContact O-N 2.73Å
281	S	89.8	Confident	91.1	Very high	37 Å²	37	56.3 Å²	56.3	26%	0.259	28%	0.283	S	S	.	.			trans	-62.1	148.2	-179	-175.9	0	0	0	0	111.9	Q277 N278 K283 H286 R288	Q277-S281 VanDerWaalsContact O-CB 3.25Å; Q277-S281 WeakPolarHBondContact O-CB 3.1Å; Q277-S281 PolarHBondContact O-N 3.48Å; N278-S281 PolarHBondContact O-N 2.77Å; S281-K283 PolarHBondContact OG-N 2.8Å; S281-K283 PolarHBondContact OG-O 3.23Å; S281-H286 PolarHBondContact O-CE1 2.81Å; S281-H286 PolarHBondContact O-NE2 3.18Å; S281-H286 PolarHBondContact OG-CD2 3.14Å; S281-R288 PolarHBondContact O-NH1 2.78Å; S281-R288 PolarHBondContact O-NH2 2.78Å; S281-R288 VanDerWaalsContact O-NH2 3.12Å
282	R	84.3	Confident	91.2	Very high	190 Å²	190	56.5 Å²	56.5	72%	0.717	28%	0.284	S	S	*	.			trans	-123	3.3	175.1	-60	-174.6	179.7	-175.1	-0.1	112.3
283	K	76.4	Confident	91.3	Very high	183 Å²	183	56.3 Å²	56.3	80%	0.796	28%	0.282	S	S	*	.	S	Bend	trans	-141.3	142	-175.6	-66.4	-175.2	-179.9	-179.9	0	110.4	S281 H286	S281-K283 PolarHBondContact OG-N 2.8Å; S281-K283 PolarHBondContact OG-O 3.23Å; K283-H286 PolarHBondContact O-CD2 2.68Å
284	G	71	Confident	91.5	Very high	54 Å²	54	56.9 Å²	56.9	56%	0.557	28%	0.277	S	S	*	.	S	Bend	trans	82.3	-168	177.2	0	0	0	0	0	113.9	H286	G284-H286 PolarHBondContact O-CD2 2.75Å; G284-H286 PolarHBondContact O-N 3.33Å
285	N	79.9	Confident	91.5	Very high	137 Å²	137	56.5 Å²	56.5	73%	0.733	27%	0.274	S	S	*	.	S	Bend	trans	-85.9	88.9	-179.7	-63.4	-38.2	0	0	0	109.7	W221	W221-N285 PolarHBondContact NE1-OD1 3.02Å
286	H	90.3	Very high	91.7	Very high	4 Å²	4	55.9 Å²	55.9	2%	0.019	27%	0.272	C	S	.	.	B	Isolated β-bridge	trans	-119.4	160.2	177.3	62.5	81.6	0	0	0	111.9	S218 H219 S220 W221 N278 S281 K283 G284 R288	S218-H286 PolarHBondContact O-CE1 3.49Å; H219-H286 PolarHBondContact O-NE2 3.46Å; S220-H286 WeakPolarHBondContact CA-O 3.21Å; W221-H286 PolarHBondContact N-O 2.83Å; N278-H286 WeakPolarHBondContact OD1-CA 3.5Å; S281-H286 PolarHBondContact O-CE1 2.81Å; S281-H286 PolarHBondContact O-NE2 3.18Å; S281-H286 PolarHBondContact OG-CD2 3.14Å; K283-H286 PolarHBondContact O-CD2 2.68Å; G284-H286 PolarHBondContact O-CD2 2.75Å; G284-H286 PolarHBondContact O-N 3.33Å; H286-R288 VanDerWaalsContact CE1-CZ 3.47Å; H286-R288 PolarHBondContact CE1-NH2 2.72Å
287	H	94.4	Very high	91.7	Very high	46 Å²	46	55.7 Å²	55.7	21%	0.213	28%	0.276	C	S	.	.			trans	-114.4	164.6	-179.5	-58.2	-66.8	0	0	0	111.8	W221 N278 F289	W221-H287 WeakPolarHBondContact O-CA 3.36Å; W221-H287 PolarHBondContact O-ND1 2.96Å; N278-H287 CarbonylContact C-O 3.6Å; N278-H287 WeakPolarHBondContact CB-O 3.25Å; N278-H287 PolarHBondContact OD1-N 3.39Å; H287-F289 HydrophobicContact CB-CD1 3.75Å; H287-F289 HydrophobicContact CB-CD2 4.15Å; H287-F289 HydrophobicContact CB-CE1 3.52Å; H287-F289 HydrophobicContact CB-CE2 3.98Å; H287-F289 HydrophobicContact CB-CG 4.09Å; H287-F289 HydrophobicContact CB-CZ 3.66Å; H287-F289 AromaticContact CD2-CE1 3.78Å; H287-F289 AromaticContact CD2-CZ 3.41Å; H287-F289 VanDerWaalsContact CD2-CZ 3.41Å; H287-F289 WeakPolarHBondContact CD2-CZ 3.18Å; H287-F289 AromaticContact CG-CE1 3.75Å; H287-F289 AromaticContact CG-CZ 3.78Å
288	R	95.3	Very high	91.7	Very high	21 Å²	21	52.6 Å²	52.6	8%	0.079	27%	0.268	C	S	.	.			trans	-107	57.8	173.7	-58	-64.4	-173.2	-147.9	-4.1	110.3	F207 S218 N278 E279 S281 H286 I290 T291 E292	F207-R288 HydrophobicContact CZ-CB 4.05Å; F207-R288 HydrophobicContact CZ-CG 4.28Å; S218-R288 PolarHBondContact O-NH2 2.77Å; N278-R288 PolarHBondContact O-NH1 3.43Å; E279-R288 PolarHBondContact O-NH1 2.86Å; E279-R288 VanDerWaalsContact OE2-CA 3.25Å; E279-R288 WeakPolarHBondContact OE2-CA 3.45Å; S281-R288 PolarHBondContact O-NH1 2.78Å; S281-R288 PolarHBondContact O-NH2 2.78Å; S281-R288 VanDerWaalsContact O-NH2 3.12Å; H286-R288 VanDerWaalsContact CE1-CZ 3.47Å; H286-R288 PolarHBondContact CE1-NH2 2.72Å; R288-I290 VanDerWaalsContact C-N 3.31Å; R288-I290 PolarHBondContact O-N 2.77Å; R288-T291 CarbonylContact O-C 3.5Å; R288-T291 PolarHBondContact O-N 3.49Å; R288-T291 VanDerWaalsContact O-N 3.12Å; R288-E292 WeakPolarHBondContact O-CG 3.19Å; R288-E292 PolarHBondContact O-N 2.65Å
289	F	95.8	Very high	91.8	Very high	18 Å²	18	51.2 Å²	51.2	8%	0.079	26%	0.261	C	S	.	.	H	α-helix	trans	-55.9	-40.6	-170.8	-63.5	-54.9	0	0	0	114	T274 Y275 N278 E279 H287 K293	T274-F289 HydrophobicContact CG2-CE2 4.4Å; Y275-F289 HydrophobicContact CD1-CB 3.8Å; Y275-F289 AromaticContact CD1-CD2 3.51Å; Y275-F289 HydrophobicContact CD1-CD2 3.51Å; Y275-F289 HydrophobicContact CD1-CE2 4.16Å; Y275-F289 AromaticContact CD1-CG 3.82Å; Y275-F289 HydrophobicContact CD1-CG 3.82Å; Y275-F289 HydrophobicContact CE1-CB 4.14Å; Y275-F289 HydrophobicContact CE1-CD2 4.06Å; Y275-F289 HydrophobicContact CE1-CG 4.07Å; Y275-F289 HydrophobicContact CG-CB 4.47Å; N278-F289 HydrophobicContact CB-CD2 3.58Å; N278-F289 HydrophobicContact CB-CE2 3.58Å; N278-F289 VanDerWaalsContact CG-CE2 3.48Å; E279-F289 PolarHBondContact OE2-N 3.42Å; E279-F289 VanDerWaalsContact OE2-N 3.16Å; H287-F289 HydrophobicContact CB-CD1 3.75Å; H287-F289 HydrophobicContact CB-CD2 4.15Å; H287-F289 HydrophobicContact CB-CE1 3.52Å; H287-F289 HydrophobicContact CB-CE2 3.98Å; H287-F289 HydrophobicContact CB-CG 4.09Å; H287-F289 HydrophobicContact CB-CZ 3.66Å; H287-F289 AromaticContact CD2-CE1 3.78Å; H287-F289 AromaticContact CD2-CZ 3.41Å; H287-F289 VanDerWaalsContact CD2-CZ 3.41Å; H287-F289 WeakPolarHBondContact CD2-CZ 3.18Å; H287-F289 AromaticContact CG-CE1 3.75Å; H287-F289 AromaticContact CG-CZ 3.78Å; F289-K293 VanDerWaalsContact O-CG 3.27Å; F289-K293 WeakPolarHBondContact O-CG 3.24Å; F289-K293 PolarHBondContact O-N 2.77Å; F289-K293 VanDerWaalsContact O-N 3.12Å
290	I	96.3	Very high	91.8	Very high	12 Å²	12	51.8 Å²	51.8	6%	0.062	27%	0.267	C	S	.	.	H	α-helix	trans	-72.8	-41.4	180	-65.3	170.4	0	0	0	109.2	P247 E279 R288 K293 R294	P247-I290 HydrophobicContact CB-CG2 4.27Å; P247-I290 WeakPolarHBondContact O-CG2 3.22Å; E279-I290 HydrophobicContact CB-CD1 4.12Å; E279-I290 HydrophobicContact CB-CG1 4.48Å; E279-I290 HydrophobicContact CG-CB 3.99Å; E279-I290 HydrophobicContact CG-CD1 4.1Å; E279-I290 HydrophobicContact CG-CG1 4.38Å; E279-I290 WeakPolarHBondContact OE2-CA 3.31Å; E279-I290 WeakPolarHBondContact OE2-CB 3.21Å; E279-I290 PolarHBondContact OE2-N 2.77Å; R288-I290 VanDerWaalsContact C-N 3.31Å; R288-I290 PolarHBondContact O-N 2.77Å; I290-K293 PolarHBondContact O-N 2.81Å; I290-R294 WeakPolarHBondContact O-CG 3.29Å; I290-R294 PolarHBondContact O-N 2.77Å; I290-R294 VanDerWaalsContact O-N 3.09Å
291	T	96.3	Very high	91.8	Very high	10 Å²	10	55.1 Å²	55.1	6%	0.061	28%	0.283	C	S	.	.	H	α-helix	trans	-61.1	-45.5	174.4	-67.3	0	0	0	0	111.9	F207 T211 K213 E279 R288 K293 R294 V295	F207-T291 HydrophobicContact CE2-CG2 4.09Å; F207-T291 HydrophobicContact CZ-CG2 3.91Å; T211-T291 HydrophobicContact CG2-CG2 3.48Å; T211-T291 VanDerWaalsContact CG2-CG2 3.48Å; K213-T291 HydrophobicContact CD-CG2 4.18Å; E279-T291 WeakPolarHBondContact OE1-CB 3.15Å; E279-T291 PolarHBondContact OE1-OG1 3.32Å; E279-T291 PolarHBondContact OE2-N 3.25Å; R288-T291 CarbonylContact O-C 3.5Å; R288-T291 PolarHBondContact O-N 3.49Å; R288-T291 VanDerWaalsContact O-N 3.12Å; T291-K293 VanDerWaalsContact C-N 3.33Å; T291-K293 PolarHBondContact O-N 3.47Å; T291-R294 WeakPolarHBondContact O-CB 3.31Å; T291-R294 PolarHBondContact O-N 3.34Å; T291-V295 PolarHBondContact O-N 3.46Å
292	E	97.7	Very high	91.9	Very high	4 Å²	4	57.3 Å²	57.3	2%	0.019	29%	0.292	C	S	.	.	H	α-helix	trans	-58.4	-44.6	176.4	-70.6	174	-170.2	0	0	111.3	F207 S223 W226 R288 R294 V295 F296	F207-E292 HydrophobicContact CD2-CG 4.38Å; F207-E292 HydrophobicContact CE2-CG 3.85Å; S223-E292 WeakPolarHBondContact CB-OE2 3.39Å; S223-E292 PolarHBondContact N-OE1 2.81Å; S223-E292 PolarHBondContact OG-OE2 3.48Å; W226-E292 HydrophobicContact CB-CG 4.35Å; W226-E292 HydrophobicContact CE3-CB 4.11Å; W226-E292 HydrophobicContact CE3-CG 3.83Å; R288-E292 WeakPolarHBondContact O-CG 3.19Å; R288-E292 PolarHBondContact O-N 2.65Å; E292-R294 VanDerWaalsContact C-N 3.32Å; E292-R294 PolarHBondContact O-N 2.83Å; E292-V295 WeakPolarHBondContact O-CB 3.43Å; E292-V295 PolarHBondContact O-N 2.83Å; E292-F296 HydrophobicContact CB-CE2 4.31Å; E292-F296 HydrophobicContact CB-CZ 4.01Å; E292-F296 WeakPolarHBondContact O-CD1 3.26Å; E292-F296 WeakPolarHBondContact O-CG 3.37Å; E292-F296 PolarHBondContact O-N 2.84Å
293	K	97.8	Very high	92.3	Very high	10 Å²	10	49.1 Å²	49.1	4%	0.043	26%	0.261	C	S	.	.	H	α-helix	trans	-62.7	-33.7	177	-74.4	169.5	177	-179.9	0	113.7	M244 V245 P247 Y275 F289 I290 T291 V295 F296 S297 W312	M244-K293 HydrophobicContact SD-CG 4.24Å; V245-K293 VanDerWaalsContact CG2-NZ 3.28Å; V245-K293 WeakPolarHBondContact O-CD 3.49Å; V245-K293 WeakPolarHBondContact O-CE 3.38Å; V245-K293 PolarHBondContact O-NZ 3.21Å; P247-K293 HydrophobicContact CB-CB 3.92Å; Y275-K293 PolarHBondContact OH-NZ 3.14Å; Y275-K293 VanDerWaalsContact OH-NZ 3.1Å; F289-K293 VanDerWaalsContact O-CG 3.27Å; F289-K293 WeakPolarHBondContact O-CG 3.24Å; F289-K293 PolarHBondContact O-N 2.77Å; F289-K293 VanDerWaalsContact O-N 3.12Å; I290-K293 PolarHBondContact O-N 2.81Å; T291-K293 VanDerWaalsContact C-N 3.33Å; T291-K293 PolarHBondContact O-N 3.47Å; K293-V295 VanDerWaalsContact C-N 3.28Å; K293-V295 PolarHBondContact O-N 3.49Å; K293-F296 HydrophobicContact CG-CD2 4.3Å; K293-F296 PolarHBondContact O-N 3.48Å; K293-S297 PolarHBondContact O-N 3.29Å; K293-W312 HydrophobicContact CB-CH2 3.84Å; K293-W312 HydrophobicContact CG-CH2 3.99Å; K293-W312 HydrophobicContact CG-CZ2 4.33Å; K293-W312 WeakPolarHBondContact O-CZ3 3.39Å
294	R	96.8	Very high	93.2	Very high	81 Å²	81	41.7 Å²	41.7	31%	0.306	24%	0.237	S	C	.	.	H	α-helix	trans	-62.9	-36.8	173.2	-70.6	177	-178.3	133.8	-5	111.7	Y50 P247 I290 T291 E292 S297 S298	Y50-R294 VanDerWaalsContact CE1-NH2 3.28Å; Y50-R294 PolarHBondContact OH-NH1 2.82Å; Y50-R294 PolarHBondContact OH-NH2 3.37Å; P247-R294 HydrophobicContact CB-CG 3.58Å; P247-R294 HydrophobicContact CG-CG 4.02Å; I290-R294 WeakPolarHBondContact O-CG 3.29Å; I290-R294 PolarHBondContact O-N 2.77Å; I290-R294 VanDerWaalsContact O-N 3.09Å; T291-R294 WeakPolarHBondContact O-CB 3.31Å; T291-R294 PolarHBondContact O-N 3.34Å; E292-R294 VanDerWaalsContact C-N 3.32Å; E292-R294 PolarHBondContact O-N 2.83Å; R294-S297 PolarHBondContact O-N 2.84Å; R294-S298 PolarHBondContact O-N 2.9Å; R294-S298 VanDerWaalsContact O-N 3.13Å
295	V	96.6	Very high	94.4	Very high	6 Å²	6	39.5 Å²	39.5	4%	0.036	21%	0.212	C	C	.	.	H	α-helix	trans	-68.2	-42	173	-178.6	0	0	0	0	110.7	E210 T211 W226 T291 E292 K293 S297 S298 W299	E210-V295 HydrophobicContact CB-CG1 3.91Å; E210-V295 HydrophobicContact CB-CG2 3.86Å; E210-V295 HydrophobicContact CG-CG1 3.86Å; T211-V295 HydrophobicContact CG2-CG2 3.59Å; W226-V295 HydrophobicContact CH2-CB 4.44Å; W226-V295 HydrophobicContact CH2-CG1 3.94Å; W226-V295 HydrophobicContact CH2-CG2 4.49Å; W226-V295 HydrophobicContact CZ3-CB 3.89Å; W226-V295 HydrophobicContact CZ3-CG1 3.8Å; W226-V295 HydrophobicContact CZ3-CG2 4.1Å; T291-V295 PolarHBondContact O-N 3.46Å; E292-V295 WeakPolarHBondContact O-CB 3.43Å; E292-V295 PolarHBondContact O-N 2.83Å; K293-V295 VanDerWaalsContact C-N 3.28Å; K293-V295 PolarHBondContact O-N 3.49Å; V295-S297 PolarHBondContact O-N 3.36Å; V295-S298 PolarHBondContact O-N 3.32Å; V295-S298 VanDerWaalsContact O-N 3.16Å; V295-S298 PolarHBondContact O-OG 3.31Å; V295-W299 HydrophobicContact CG1-CD2 3.85Å; V295-W299 VanDerWaalsContact CG1-CE2 3.42Å; V295-W299 HydrophobicContact CG1-CE3 4.39Å; V295-W299 HydrophobicContact CG1-CG 4.28Å; V295-W299 HydrophobicContact CG1-CH2 4.1Å; V295-W299 HydrophobicContact CG1-CZ2 3.59Å; V295-W299 HydrophobicContact CG1-CZ3 4.49Å; V295-W299 WeakPolarHBondContact O-CB 3.23Å; V295-W299 PolarHBondContact O-N 2.91Å
296	F	97.4	Very high	95.3	Very high	4 Å²	4	36.5 Å²	36.5	2%	0.018	20%	0.199	C	C	.	.	H	α-helix	trans	-61.7	-36.2	177	-54.1	-21.5	0	0	0	112.2	W226 M229 M244 E292 K293 W299 A300 F307 W312	W226-F296 AromaticContact CE3-CE1 3.68Å; W226-F296 HydrophobicContact CE3-CE1 3.68Å; W226-F296 HydrophobicContact CE3-CZ 4.15Å; W226-F296 HydrophobicContact CZ3-CE1 4.12Å; M229-F296 HydrophobicContact CB-CD1 4.09Å; M229-F296 HydrophobicContact CB-CE1 3.64Å; M229-F296 HydrophobicContact CB-CZ 3.9Å; M229-F296 HydrophobicContact CE-CB 4.27Å; M229-F296 HydrophobicContact CE-CD1 4.36Å; M229-F296 HydrophobicContact CE-CD2 4Å; M229-F296 HydrophobicContact CE-CE2 4.45Å; M229-F296 HydrophobicContact CE-CG 3.97Å; M229-F296 HydrophobicContact CG-CD1 3.64Å; M229-F296 HydrophobicContact CG-CE1 3.72Å; M229-F296 HydrophobicContact CG-CG 4.2Å; M229-F296 HydrophobicContact CG-CZ 4.35Å; M244-F296 HydrophobicContact CE-CD2 4.45Å; M244-F296 HydrophobicContact CE-CE2 4.33Å; M244-F296 HydrophobicContact SD-CD2 3.86Å; M244-F296 HydrophobicContact SD-CE2 4.21Å; E292-F296 HydrophobicContact CB-CE2 4.31Å; E292-F296 HydrophobicContact CB-CZ 4.01Å; E292-F296 WeakPolarHBondContact O-CD1 3.26Å; E292-F296 WeakPolarHBondContact O-CG 3.37Å; E292-F296 PolarHBondContact O-N 2.84Å; K293-F296 HydrophobicContact CG-CD2 4.3Å; K293-F296 PolarHBondContact O-N 3.48Å; F296-W299 HydrophobicContact CD1-CE3 4.41Å; F296-W299 PolarHBondContact O-N 2.97Å; F296-A300 PolarHBondContact O-N 3.41Å; F296-F307 HydrophobicContact CB-CZ 4.08Å; F296-W312 HydrophobicContact CB-CH2 4.19Å; F296-W312 HydrophobicContact CB-CZ3 4.14Å
297	S	95.8	Very high	95.7	Very high	62 Å²	62	37.2 Å²	37.2	43%	0.434	20%	0.202	S	C	.	.	H	α-helix	trans	-64.3	-44.6	174.3	174.6	0	0	0	0	111.5	K293 R294 V295 W299 A300	K293-S297 PolarHBondContact O-N 3.29Å; R294-S297 PolarHBondContact O-N 2.84Å; V295-S297 PolarHBondContact O-N 3.36Å; S297-W299 VanDerWaalsContact C-N 3.27Å; S297-W299 PolarHBondContact O-N 2.9Å; S297-A300 WeakPolarHBondContact O-CB 3.49Å; S297-A300 PolarHBondContact O-N 2.86Å
298	S	94.1	Very high	95.9	Very high	60 Å²	60	35.7 Å²	35.7	42%	0.42	20%	0.197	S	C	.	.	H	α-helix	trans	-67.2	-28.4	176.2	69.2	0	0	0	0	113.1	R294 V295	R294-S298 PolarHBondContact O-N 2.9Å; R294-S298 VanDerWaalsContact O-N 3.13Å; V295-S298 PolarHBondContact O-N 3.32Å; V295-S298 VanDerWaalsContact O-N 3.16Å; V295-S298 PolarHBondContact O-OG 3.31Å
299	W	94.8	Very high	95.9	Very high	2 Å²	2	38.2 Å²	38.2	1%	0.008	21%	0.209	C	C	.	.	H	α-helix	trans	-79.5	-16.5	176.5	-77.6	6.9	0	0	0	114.3	L63 L206 E210 W226 M229 V230 V295 F296 S297 Q301 L302 Y303 I305	L63-W299 HydrophobicContact CD1-CE3 4.39Å; L63-W299 HydrophobicContact CD1-CH2 4Å; L63-W299 HydrophobicContact CD1-CZ2 4.29Å; L63-W299 HydrophobicContact CD1-CZ3 4.02Å; L206-W299 HydrophobicContact CD1-CZ2 4.06Å; L206-W299 HydrophobicContact CD2-CH2 3.61Å; L206-W299 HydrophobicContact CD2-CZ2 3.94Å; L206-W299 HydrophobicContact CG-CH2 4.14Å; L206-W299 HydrophobicContact CG-CZ2 4.05Å; E210-W299 VanDerWaalsContact CD-NE1 3.35Å; E210-W299 HydrophobicContact CG-CZ2 3.87Å; E210-W299 PolarHBondContact OE1-NE1 3.28Å; E210-W299 VanDerWaalsContact OE1-NE1 3.14Å; W226-W299 AromaticContact CH2-CH2 3.86Å; W226-W299 HydrophobicContact CH2-CH2 3.86Å; W226-W299 HydrophobicContact CH2-CZ2 4.21Å; W226-W299 HydrophobicContact CZ2-CH2 4.16Å; W226-W299 HydrophobicContact CZ3-CH2 4.34Å; M229-W299 HydrophobicContact CG-CE3 4.27Å; M229-W299 HydrophobicContact CG-CZ3 4.29Å; V230-W299 HydrophobicContact CG2-CH2 3.88Å; V230-W299 HydrophobicContact CG2-CZ3 3.92Å; V295-W299 HydrophobicContact CG1-CD2 3.85Å; V295-W299 VanDerWaalsContact CG1-CE2 3.42Å; V295-W299 HydrophobicContact CG1-CE3 4.39Å; V295-W299 HydrophobicContact CG1-CG 4.28Å; V295-W299 HydrophobicContact CG1-CH2 4.1Å; V295-W299 HydrophobicContact CG1-CZ2 3.59Å; V295-W299 HydrophobicContact CG1-CZ3 4.49Å; V295-W299 WeakPolarHBondContact O-CB 3.23Å; V295-W299 PolarHBondContact O-N 2.91Å; F296-W299 HydrophobicContact CD1-CE3 4.41Å; F296-W299 PolarHBondContact O-N 2.97Å; S297-W299 VanDerWaalsContact C-N 3.27Å; S297-W299 PolarHBondContact O-N 2.9Å; W299-Q301 PolarHBondContact O-N 3.12Å; W299-L302 PolarHBondContact O-N 2.84Å; W299-L302 VanDerWaalsContact O-N 3.07Å; W299-Y303 HydrophobicContact CB-CD2 3.8Å; W299-Y303 HydrophobicContact CB-CE2 4.2Å; W299-Y303 AromaticContact CD1-CE2 3.98Å; W299-Y303 HydrophobicContact CD2-CD2 4.09Å; W299-Y303 AromaticContact CD2-CE2 3.83Å; W299-Y303 HydrophobicContact CD2-CE2 3.83Å; W299-Y303 HydrophobicContact CE3-CD2 4.39Å; W299-Y303 HydrophobicContact CE3-CE2 4.37Å; W299-Y303 AromaticContact CG-CD2 3.84Å; W299-Y303 HydrophobicContact CG-CD2 3.84Å; W299-Y303 AromaticContact CG-CE2 3.73Å; W299-Y303 HydrophobicContact CG-CE2 3.73Å; W299-Y303 PolarHBondContact O-N 3.5Å; W299-I305 HydrophobicContact CB-CD1 3.89Å
300	A	94.9	Very high	95.9	Very high	23 Å²	23	39 Å²	39	19%	0.19	22%	0.216	C	C	.	.	H	α-helix	trans	-55	-53.1	-170.5	0	0	0	0	0	112.9	F296 S297 G304 I305 F307	F296-A300 PolarHBondContact O-N 3.41Å; S297-A300 WeakPolarHBondContact O-CB 3.49Å; S297-A300 PolarHBondContact O-N 2.86Å; A300-G304 CarbonylContact O-C 3.06Å; A300-G304 WeakPolarHBondContact O-CA 3.23Å; A300-G304 PolarHBondContact O-N 3.43Å; A300-G304 VanDerWaalsContact O-N 3.1Å; A300-I305 WeakPolarHBondContact CB-O 3.17Å; A300-I305 PolarHBondContact O-N 3.15Å; A300-F307 HydrophobicContact CB-CE2 4.13Å
301	Q	91.5	Very high	95.8	Very high	193 Å²	193	42.4 Å²	42.4	90%	0.902	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	-70	-35.5	177.3	-169.9	179.1	11.5	0	0	112.3	W299	W299-Q301 PolarHBondContact O-N 3.12Å
302	L	91.8	Very high	95.7	Very high	84 Å²	84	43.9 Å²	43.9	44%	0.44	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.5	-36.7	-174.4	180	63.8	0	0	0	113	P60 W299	P60-L302 HydrophobicContact CB-CD2 3.41Å; P60-L302 VanDerWaalsContact CB-CD2 3.41Å; P60-L302 HydrophobicContact CG-CD1 4.15Å; P60-L302 HydrophobicContact CG-CD2 3.49Å; P60-L302 VanDerWaalsContact CG-CD2 3.49Å; P60-L302 HydrophobicContact CG-CG 4.49Å; W299-L302 PolarHBondContact O-N 2.84Å; W299-L302 VanDerWaalsContact O-N 3.07Å
303	Y	93.4	Very high	94.7	Very high	17 Å²	17	53.6 Å²	53.6	7%	0.067	31%	0.305	C	S	.	.	T	Hydrogen-bonded Turn	trans	-117.5	14	-175.5	-58.6	-53.5	0	0	0	113.6	V61 L63 V233 W299 I305	V61-Y303 PolarHBondContact O-OH 3.44Å; L63-Y303 HydrophobicContact CD1-CD2 4.47Å; L63-Y303 HydrophobicContact CD1-CE2 3.84Å; L63-Y303 HydrophobicContact CG-CE2 4.29Å; V233-Y303 HydrophobicContact CG1-CD1 3.65Å; V233-Y303 HydrophobicContact CG1-CD2 3.92Å; V233-Y303 HydrophobicContact CG1-CE1 4.14Å; V233-Y303 HydrophobicContact CG1-CE2 4.39Å; V233-Y303 HydrophobicContact CG1-CG 3.54Å; V233-Y303 HydrophobicContact CG2-CD2 4.12Å; V233-Y303 HydrophobicContact CG2-CG 4.14Å; W299-Y303 HydrophobicContact CB-CD2 3.8Å; W299-Y303 HydrophobicContact CB-CE2 4.2Å; W299-Y303 AromaticContact CD1-CE2 3.98Å; W299-Y303 HydrophobicContact CD2-CD2 4.09Å; W299-Y303 AromaticContact CD2-CE2 3.83Å; W299-Y303 HydrophobicContact CD2-CE2 3.83Å; W299-Y303 HydrophobicContact CE3-CD2 4.39Å; W299-Y303 HydrophobicContact CE3-CE2 4.37Å; W299-Y303 AromaticContact CG-CD2 3.84Å; W299-Y303 HydrophobicContact CG-CD2 3.84Å; W299-Y303 AromaticContact CG-CE2 3.73Å; W299-Y303 HydrophobicContact CG-CE2 3.73Å; W299-Y303 PolarHBondContact O-N 3.5Å; Y303-I305 VanDerWaalsContact C-N 3.33Å; Y303-I305 PolarHBondContact O-N 3.07Å
304	G	94.9	Very high	94.5	Very high	28 Å²	28	55.8 Å²	55.8	29%	0.289	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	59.4	43.8	-179.9	0	0	0	0	0	112.6	V239 A300	V239-G304 PolarHBondContact N-O 2.91Å; A300-G304 CarbonylContact O-C 3.06Å; A300-G304 WeakPolarHBondContact O-CA 3.23Å; A300-G304 PolarHBondContact O-N 3.43Å; A300-G304 VanDerWaalsContact O-N 3.1Å
305	I	97.8	Very high	94.4	Very high	7 Å²	7	54.5 Å²	54.5	4%	0.036	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	127.3	177.2	-43.5	164.3	0	0	0	108.6	M229 V233 V239 V241 W299 A300 Y303 F307	M229-I305 HydrophobicContact CE-CG2 4.26Å; M229-I305 HydrophobicContact SD-CD1 3.77Å; M229-I305 HydrophobicContact SD-CG1 4.47Å; M229-I305 HydrophobicContact SD-CG2 4.14Å; V233-I305 HydrophobicContact CG2-CD1 4.07Å; V233-I305 HydrophobicContact CG2-CG1 4.45Å; V239-I305 HydrophobicContact CB-CG1 4.29Å; V239-I305 HydrophobicContact CB-CG2 4.18Å; V239-I305 HydrophobicContact CG1-CG2 4.21Å; V239-I305 CarbonylContact O-C 3.6Å; V239-I305 VanDerWaalsContact O-CA 3.24Å; V239-I305 WeakPolarHBondContact O-CA 3.47Å; V241-I305 HydrophobicContact CG2-CG2 3.87Å; W299-I305 HydrophobicContact CB-CD1 3.89Å; A300-I305 WeakPolarHBondContact CB-O 3.17Å; A300-I305 PolarHBondContact O-N 3.15Å; Y303-I305 VanDerWaalsContact C-N 3.33Å; Y303-I305 PolarHBondContact O-N 3.07Å; I305-F307 HydrophobicContact CB-CE2 4.23Å; I305-F307 HydrophobicContact CB-CZ 4.41Å; I305-F307 HydrophobicContact CG2-CE1 4.27Å; I305-F307 HydrophobicContact CG2-CE2 3.71Å; I305-F307 HydrophobicContact CG2-CZ 3.56Å
306	T	98.3	Very high	94.3	Very high	74 Å²	74	57.2 Å²	57.2	45%	0.454	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	153	176.2	50.9	0	0	0	0	110.3	V239 H240 V241	V239-T306 PolarHBondContact O-N 3.08Å; V239-T306 PolarHBondContact O-OG1 3.34Å; H240-T306 CarbonylContact C-O 3.47Å; H240-T306 WeakPolarHBondContact CA-O 3.16Å; H240-T306 PolarHBondContact ND1-OG1 3.49Å; V241-T306 PolarHBondContact N-O 3.12Å
307	F	98.6	Very high	94.1	Very high	19 Å²	19	60.3 Å²	60.3	8%	0.083	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	138.2	-175	-59.1	-95.7	0	0	0	109.7	M229 V241 M244 F296 A300 I305 S311 W312	M229-F307 HydrophobicContact CE-CE1 4.16Å; M229-F307 HydrophobicContact CE-CZ 4.25Å; V241-F307 HydrophobicContact CB-CD1 3.61Å; V241-F307 HydrophobicContact CB-CE1 3.88Å; V241-F307 HydrophobicContact CB-CG 4.41Å; V241-F307 HydrophobicContact CG1-CD1 4.01Å; V241-F307 HydrophobicContact CG1-CE1 4.18Å; V241-F307 HydrophobicContact CG2-CD1 4.04Å; V241-F307 HydrophobicContact CG2-CE1 3.8Å; V241-F307 HydrophobicContact CG2-CZ 4.44Å; V241-F307 WeakPolarHBondContact O-CA 3.25Å; M244-F307 HydrophobicContact CB-CD1 4.38Å; M244-F307 HydrophobicContact SD-CE1 4.14Å; F296-F307 HydrophobicContact CB-CZ 4.08Å; A300-F307 HydrophobicContact CB-CE2 4.13Å; I305-F307 HydrophobicContact CB-CE2 4.23Å; I305-F307 HydrophobicContact CB-CZ 4.41Å; I305-F307 HydrophobicContact CG2-CE1 4.27Å; I305-F307 HydrophobicContact CG2-CE2 3.71Å; I305-F307 HydrophobicContact CG2-CZ 3.56Å; F307-S311 WeakPolarHBondContact O-CA 3.29Å; F307-W312 HydrophobicContact CB-CB 3.95Å; F307-W312 VanDerWaalsContact CB-CD1 3.47Å; F307-W312 HydrophobicContact CB-CD2 4.03Å; F307-W312 HydrophobicContact CB-CG 3.55Å; F307-W312 AromaticContact CD1-CD2 3.8Å; F307-W312 HydrophobicContact CD1-CD2 3.8Å; F307-W312 AromaticContact CD1-CE2 3.59Å; F307-W312 HydrophobicContact CD1-CE3 4.2Å; F307-W312 HydrophobicContact CD1-CG 4.26Å; F307-W312 HydrophobicContact CD1-CH2 4.26Å; F307-W312 AromaticContact CD1-CZ2 3.86Å; F307-W312 HydrophobicContact CD1-CZ2 3.86Å; F307-W312 HydrophobicContact CD1-CZ3 4.41Å; F307-W312 AromaticContact CD1-NE1 3.88Å; F307-W312 HydrophobicContact CD2-CB 4.13Å; F307-W312 AromaticContact CD2-CD2 3.78Å; F307-W312 HydrophobicContact CD2-CD2 3.78Å; F307-W312 AromaticContact CD2-CE3 3.82Å; F307-W312 HydrophobicContact CD2-CE3 3.82Å; F307-W312 AromaticContact CD2-CG 3.94Å; F307-W312 HydrophobicContact CD2-CG 3.94Å; F307-W312 HydrophobicContact CE1-CD2 4.21Å; F307-W312 HydrophobicContact CE1-CE3 4.17Å; F307-W312 AromaticContact CE1-CH2 3.85Å; F307-W312 HydrophobicContact CE1-CH2 3.85Å; F307-W312 AromaticContact CE1-CZ2 3.88Å; F307-W312 HydrophobicContact CE1-CZ2 3.88Å; F307-W312 AromaticContact CE1-CZ3 3.99Å; F307-W312 HydrophobicContact CE1-CZ3 3.99Å; F307-W312 HydrophobicContact CE2-CD2 4.2Å; F307-W312 AromaticContact CE2-CE3 3.79Å; F307-W312 HydrophobicContact CE2-CE3 3.79Å; F307-W312 HydrophobicContact CE2-CZ3 4.1Å; F307-W312 HydrophobicContact CG-CB 4.21Å; F307-W312 AromaticContact CG-CD1 3.89Å; F307-W312 AromaticContact CG-CD2 3.58Å; F307-W312 HydrophobicContact CG-CD2 3.58Å; F307-W312 AromaticContact CG-CE2 3.83Å; F307-W312 HydrophobicContact CG-CE3 4.05Å; F307-W312 AromaticContact CG-CG 3.66Å; F307-W312 HydrophobicContact CG-CG 3.66Å; F307-W312 HydrophobicContact CG-CZ2 4.5Å; F307-W312 AromaticContact CG-NE1 3.96Å; F307-W312 HydrophobicContact CZ-CD2 4.4Å; F307-W312 AromaticContact CZ-CE3 3.97Å; F307-W312 HydrophobicContact CZ-CE3 3.97Å; F307-W312 HydrophobicContact CZ-CH2 4.13Å; F307-W312 AromaticContact CZ-CZ3 3.83Å; F307-W312 HydrophobicContact CZ-CZ3 3.83Å
308	S	97.9	Very high	94	Very high	15 Å²	15	60.2 Å²	60.2	11%	0.105	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.6	162.9	171.1	76	0	0	0	0	111.8	H240 V241 Y242 G243 P310	H240-S308 PolarHBondContact NE2-OG 3.12Å; V241-S308 PolarHBondContact O-N 3.14Å; Y242-S308 WeakPolarHBondContact CA-O 3.25Å; Y242-S308 WeakPolarHBondContact CD1-OG 3.38Å; Y242-S308 WeakPolarHBondContact CE1-OG 3.21Å; G243-S308 PolarHBondContact N-O 3.26Å; S308-P310 CarbonylContact C-O 3.53Å; S308-P310 WeakPolarHBondContact CA-O 3.29Å
309	H	96.1	Very high	94	Very high	74 Å²	74	60.2 Å²	60.2	34%	0.343	34%	0.344	S	S	.	.	T	Hydrogen-bonded Turn	trans	54	58.9	-179.7	-53.9	80.2	0	0	0	112.8	H96 T100 L102 Y242 G243	H96-H309 WeakPolarHBondContact CB-O 3.39Å; T100-H309 HydrophobicContact CG2-CB 4.27Å; L102-H309 HydrophobicContact CD1-CB 4.35Å; Y242-H309 AromaticContact CD1-ND1 3.77Å; G243-H309 WeakPolarHBondContact CA-O 3.32Å; G243-H309 PolarHBondContact N-O 3.09Å
310	P	95.3	Very high	93.9	Very high	34 Å²	34	64.4 Å²	64.4	22%	0.221	37%	0.368	C	S	.	.	T	Hydrogen-bonded Turn	cis	-92	158.5	4.4	35.7	-36.3	0	0	0	114	V245 S308	V245-P310 HydrophobicContact CB-CG 4.34Å; V245-P310 HydrophobicContact CG1-CG 3.97Å; S308-P310 CarbonylContact C-O 3.53Å; S308-P310 WeakPolarHBondContact CA-O 3.29Å
311	S	94.4	Very high	93.9	Very high	84 Å²	84	67.5 Å²	67.5	59%	0.587	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.7	141.9	174.2	-55.3	0	0	0	0	111.6	F307	F307-S311 WeakPolarHBondContact O-CA 3.29Å
312	W	94	Very high	94.1	Very high	40 Å²	40	57.1 Å²	57.1	15%	0.152	34%	0.338	C	S	.	.	P	Polyproline II helix	trans	-94.2	126.9	171.2	-67.2	22.6	0	0	0	108	M244 V245 P246 K293 F296 F307	M244-W312 HydrophobicContact CB-CZ2 4.22Å; M244-W312 HydrophobicContact CG-CZ2 3.78Å; M244-W312 PolarHBondContact O-NE1 3.32Å; M244-W312 HydrophobicContact SD-CH2 4.06Å; M244-W312 HydrophobicContact SD-CZ2 3.78Å; V245-W312 VanDerWaalsContact O-CZ2 3.26Å; V245-W312 WeakPolarHBondContact O-CZ2 3.25Å; P246-W312 HydrophobicContact CB-CD2 4.11Å; P246-W312 HydrophobicContact CB-CG 4.06Å; K293-W312 HydrophobicContact CB-CH2 3.84Å; K293-W312 HydrophobicContact CG-CH2 3.99Å; K293-W312 HydrophobicContact CG-CZ2 4.33Å; K293-W312 WeakPolarHBondContact O-CZ3 3.39Å; F296-W312 HydrophobicContact CB-CH2 4.19Å; F296-W312 HydrophobicContact CB-CZ3 4.14Å; F307-W312 HydrophobicContact CB-CB 3.95Å; F307-W312 VanDerWaalsContact CB-CD1 3.47Å; F307-W312 HydrophobicContact CB-CD2 4.03Å; F307-W312 HydrophobicContact CB-CG 3.55Å; F307-W312 AromaticContact CD1-CD2 3.8Å; F307-W312 HydrophobicContact CD1-CD2 3.8Å; F307-W312 AromaticContact CD1-CE2 3.59Å; F307-W312 HydrophobicContact CD1-CE3 4.2Å; F307-W312 HydrophobicContact CD1-CG 4.26Å; F307-W312 HydrophobicContact CD1-CH2 4.26Å; F307-W312 AromaticContact CD1-CZ2 3.86Å; F307-W312 HydrophobicContact CD1-CZ2 3.86Å; F307-W312 HydrophobicContact CD1-CZ3 4.41Å; F307-W312 AromaticContact CD1-NE1 3.88Å; F307-W312 HydrophobicContact CD2-CB 4.13Å; F307-W312 AromaticContact CD2-CD2 3.78Å; F307-W312 HydrophobicContact CD2-CD2 3.78Å; F307-W312 AromaticContact CD2-CE3 3.82Å; F307-W312 HydrophobicContact CD2-CE3 3.82Å; F307-W312 AromaticContact CD2-CG 3.94Å; F307-W312 HydrophobicContact CD2-CG 3.94Å; F307-W312 HydrophobicContact CE1-CD2 4.21Å; F307-W312 HydrophobicContact CE1-CE3 4.17Å; F307-W312 AromaticContact CE1-CH2 3.85Å; F307-W312 HydrophobicContact CE1-CH2 3.85Å; F307-W312 AromaticContact CE1-CZ2 3.88Å; F307-W312 HydrophobicContact CE1-CZ2 3.88Å; F307-W312 AromaticContact CE1-CZ3 3.99Å; F307-W312 HydrophobicContact CE1-CZ3 3.99Å; F307-W312 HydrophobicContact CE2-CD2 4.2Å; F307-W312 AromaticContact CE2-CE3 3.79Å; F307-W312 HydrophobicContact CE2-CE3 3.79Å; F307-W312 HydrophobicContact CE2-CZ3 4.1Å; F307-W312 HydrophobicContact CG-CB 4.21Å; F307-W312 AromaticContact CG-CD1 3.89Å; F307-W312 AromaticContact CG-CD2 3.58Å; F307-W312 HydrophobicContact CG-CD2 3.58Å; F307-W312 AromaticContact CG-CE2 3.83Å; F307-W312 HydrophobicContact CG-CE3 4.05Å; F307-W312 AromaticContact CG-CG 3.66Å; F307-W312 HydrophobicContact CG-CG 3.66Å; F307-W312 HydrophobicContact CG-CZ2 4.5Å; F307-W312 AromaticContact CG-NE1 3.96Å; F307-W312 HydrophobicContact CZ-CD2 4.4Å; F307-W312 AromaticContact CZ-CE3 3.97Å; F307-W312 HydrophobicContact CZ-CE3 3.97Å; F307-W312 HydrophobicContact CZ-CH2 4.13Å; F307-W312 AromaticContact CZ-CZ3 3.83Å; F307-W312 HydrophobicContact CZ-CZ3 3.83Å
313	T	76.2	Confident	94.3	Very high	209 Å²	209	54.6 Å²	54.6	100%	1.282	33%	0.329	S	S	*	.			trans	-94.3	0	174.2	55.3	0	0	0	0	111

Retrieved 313 of 313 residues in 92.1 ms (Link to these results)

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