Z4YLN2_MOUSE Loading...

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

AlphaFold DB , UniProt , Accession Z4YLN2, Species MOUSE (Mus musculus, Mouse), Gene St6galnac6, Length 229 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	52.9	Low	65	Low	234 Å²	234	121.7 Å²	121.7	100%	1.153	64%	0.64	S	S	*	*				0	6.3	0	-79.7	158.7	69.3	0	0	114.7
2	S	54.7	Low	66.4	Low	85 Å²	85	123.7 Å²	123.7	59%	0.594	64%	0.64	S	S	*	*			trans	-87.3	-36.6	179.8	-153.2	0	0	0	0	114.2	N4 K5	S2-N4 PolarHBondContact O-N 3.47Å; S2-K5 PolarHBondContact O-N 2.98Å
3	S	55.8	Low	68	Low	81 Å²	81	121.9 Å²	121.9	57%	0.566	64%	0.638	S	S	*	*	H	α-helix	trans	-63.9	-35	-171.7	175.3	0	0	0	0	114.7	K5 Q7	S3-K5 VanDerWaalsContact C-N 3.34Å; S3-K5 PolarHBondContact O-N 3.33Å; S3-Q7 WeakPolarHBondContact O-CB 3.48Å; S3-Q7 PolarHBondContact O-N 3.23Å
4	N	58.1	Low	69.6	Low	120 Å²	120	120.5 Å²	120.5	64%	0.642	63%	0.63	S	S	*	*	H	α-helix	trans	-71.3	-23.3	-179.4	-98	-19	0	0	0	114.2	S2 R8	S2-N4 PolarHBondContact O-N 3.47Å; N4-R8 VanDerWaalsContact O-CG 3.31Å; N4-R8 WeakPolarHBondContact O-CG 3.36Å; N4-R8 PolarHBondContact O-N 3.01Å
5	K	58.4	Low	70.9	Confident	168 Å²	168	118.8 Å²	118.8	73%	0.73	62%	0.621	S	S	*	*	H	α-helix	trans	-78.8	-42.7	177.3	-91.4	-175	175.4	-178.9	0	111.3	S2 S3 Q7 R8 S9	S2-K5 PolarHBondContact O-N 2.98Å; S3-K5 VanDerWaalsContact C-N 3.34Å; S3-K5 PolarHBondContact O-N 3.33Å; K5-Q7 VanDerWaalsContact C-N 3.32Å; K5-Q7 PolarHBondContact O-N 3.31Å; K5-R8 PolarHBondContact O-N 3.15Å; K5-S9 PolarHBondContact O-N 2.88Å
6	E	61.9	Low	72	Confident	136 Å²	136	120.8 Å²	120.8	64%	0.636	62%	0.623	S	S	*	*	H	α-helix	trans	-63.2	-40.9	176.6	-70.4	179.3	176.4	0	0	111.4	R8 S9 A10	E6-R8 PolarHBondContact O-N 2.68Å; E6-S9 PolarHBondContact O-N 3.44Å; E6-A10 WeakPolarHBondContact O-CB 3.41Å; E6-A10 PolarHBondContact O-N 2.84Å
7	Q	67.1	Low	73.2	Confident	122 Å²	122	116.3 Å²	116.3	57%	0.57	61%	0.608	S	S	*	*	H	α-helix	trans	-67.4	-36.7	178.8	-158.1	163.3	-8.4	0	0	112.5	S3 K5 V11	S3-Q7 WeakPolarHBondContact O-CB 3.48Å; S3-Q7 PolarHBondContact O-N 3.23Å; K5-Q7 VanDerWaalsContact C-N 3.32Å; K5-Q7 PolarHBondContact O-N 3.31Å; Q7-V11 VanDerWaalsContact O-CG2 3.25Å; Q7-V11 WeakPolarHBondContact O-CG2 3.3Å; Q7-V11 PolarHBondContact O-N 3.14Å; Q7-V11 VanDerWaalsContact O-N 3.13Å
8	R	70.4	Confident	74.2	Confident	179 Å²	179	115.6 Å²	115.6	68%	0.675	61%	0.605	S	S	*	*	H	α-helix	trans	-69.3	-42.3	173.5	-72.5	175.8	85.4	171.5	5.6	111.9	N4 K5 E6 A10 V11 F12	N4-R8 VanDerWaalsContact O-CG 3.31Å; N4-R8 WeakPolarHBondContact O-CG 3.36Å; N4-R8 PolarHBondContact O-N 3.01Å; K5-R8 PolarHBondContact O-N 3.15Å; E6-R8 PolarHBondContact O-N 2.68Å; R8-A10 VanDerWaalsContact C-N 3.34Å; R8-A10 PolarHBondContact O-N 3.19Å; R8-V11 PolarHBondContact O-N 2.88Å; R8-F12 WeakPolarHBondContact O-CD2 3.43Å; R8-F12 PolarHBondContact O-N 3.09Å; R8-F12 VanDerWaalsContact O-N 3.12Å
9	S	73.5	Confident	74.7	Confident	79 Å²	79	113.8 Å²	113.8	55%	0.552	60%	0.595	S	S	*	*	H	α-helix	trans	-61	-42.4	174	-89.3	0	0	0	0	112.1	K5 E6 V11 F12 V13	K5-S9 PolarHBondContact O-N 2.88Å; E6-S9 PolarHBondContact O-N 3.44Å; S9-V11 VanDerWaalsContact C-N 3.33Å; S9-V11 PolarHBondContact O-N 3.12Å; S9-F12 PolarHBondContact O-N 3.34Å; S9-V13 WeakPolarHBondContact O-CG2 3.5Å; S9-V13 PolarHBondContact O-N 3.2Å
10	A	77.8	Confident	75.3	Confident	48 Å²	48	110.8 Å²	110.8	40%	0.397	58%	0.581	S	S	.	*	H	α-helix	trans	-60.5	-42.2	177	0	0	0	0	0	111.8	E6 R8 F12 V13 I14	E6-A10 WeakPolarHBondContact O-CB 3.41Å; E6-A10 PolarHBondContact O-N 2.84Å; R8-A10 VanDerWaalsContact C-N 3.34Å; R8-A10 PolarHBondContact O-N 3.19Å; A10-F12 PolarHBondContact O-N 3.05Å; A10-V13 PolarHBondContact O-N 2.94Å; A10-I14 WeakPolarHBondContact O-CB 3.29Å; A10-I14 WeakPolarHBondContact O-CD1 3.22Å; A10-I14 VanDerWaalsContact O-CG1 3.23Å; A10-I14 WeakPolarHBondContact O-CG1 3.34Å; A10-I14 PolarHBondContact O-N 3.3Å
11	V	84.1	Confident	75.7	Confident	87 Å²	87	110.4 Å²	110.4	53%	0.527	58%	0.579	S	S	.	*	H	α-helix	trans	-63	-42.8	177.1	171.8	0	0	0	0	111.7	Q7 R8 S9 I14 L15	Q7-V11 VanDerWaalsContact O-CG2 3.25Å; Q7-V11 WeakPolarHBondContact O-CG2 3.3Å; Q7-V11 PolarHBondContact O-N 3.14Å; Q7-V11 VanDerWaalsContact O-N 3.13Å; R8-V11 PolarHBondContact O-N 2.88Å; S9-V11 VanDerWaalsContact C-N 3.33Å; S9-V11 PolarHBondContact O-N 3.12Å; V11-I14 PolarHBondContact O-N 3.41Å; V11-L15 WeakPolarHBondContact O-CB 3.36Å; V11-L15 PolarHBondContact O-N 3.33Å
12	F	82.5	Confident	76.9	Confident	145 Å²	145	105 Å²	105	64%	0.636	55%	0.554	S	S	*	*	H	α-helix	trans	-65.3	-39.4	177.6	-83.4	-71.9	0	0	0	112.8	R8 S9 A10 L15 F16	R8-F12 WeakPolarHBondContact O-CD2 3.43Å; R8-F12 PolarHBondContact O-N 3.09Å; R8-F12 VanDerWaalsContact O-N 3.12Å; S9-F12 PolarHBondContact O-N 3.34Å; A10-F12 PolarHBondContact O-N 3.05Å; F12-L15 PolarHBondContact O-N 2.87Å; F12-F16 WeakPolarHBondContact O-CB 3.48Å; F12-F16 PolarHBondContact O-N 3.11Å
13	V	86.8	Confident	77.8	Confident	101 Å²	101	105.5 Å²	105.5	61%	0.612	55%	0.549	S	S	*	.	H	α-helix	trans	-65.3	-42.8	176.5	173.7	0	0	0	0	110.8	S9 A10 F16 A17	S9-V13 WeakPolarHBondContact O-CG2 3.5Å; S9-V13 PolarHBondContact O-N 3.2Å; A10-V13 PolarHBondContact O-N 2.94Å; V13-F16 PolarHBondContact O-N 3.09Å; V13-A17 WeakPolarHBondContact O-CB 3.15Å; V13-A17 PolarHBondContact O-N 2.75Å
14	I	90.3	Very high	78.6	Confident	102 Å²	102	107.3 Å²	107.3	52%	0.523	55%	0.551	S	S	.	*	H	α-helix	trans	-63.6	-44.7	176.2	-67.9	166	0	0	0	110.6	A10 V11 F16 A17 L18	A10-I14 WeakPolarHBondContact O-CB 3.29Å; A10-I14 WeakPolarHBondContact O-CD1 3.22Å; A10-I14 VanDerWaalsContact O-CG1 3.23Å; A10-I14 WeakPolarHBondContact O-CG1 3.34Å; A10-I14 PolarHBondContact O-N 3.3Å; V11-I14 PolarHBondContact O-N 3.41Å; I14-F16 PolarHBondContact O-N 3.49Å; I14-A17 PolarHBondContact O-N 2.93Å; I14-L18 HydrophobicContact CG2-CD1 3.86Å; I14-L18 HydrophobicContact CG2-CG 4.36Å; I14-L18 WeakPolarHBondContact O-CB 3.38Å; I14-L18 VanDerWaalsContact O-CG 3.27Å; I14-L18 WeakPolarHBondContact O-CG 3.28Å; I14-L18 PolarHBondContact O-N 3.02Å
15	L	89.1	Confident	79.3	Confident	95 Å²	95	110.3 Å²	110.3	50%	0.497	56%	0.555	S	S	.	*	H	α-helix	trans	-63.8	-42.8	179.6	-149.7	94.2	0	0	0	111.6	V11 F12 L18 I19	V11-L15 WeakPolarHBondContact O-CB 3.36Å; V11-L15 PolarHBondContact O-N 3.33Å; F12-L15 PolarHBondContact O-N 2.87Å; L15-L18 PolarHBondContact O-N 2.9Å; L15-I19 HydrophobicContact CD2-CD1 4.04Å; L15-I19 HydrophobicContact CG-CD1 4.24Å; L15-I19 WeakPolarHBondContact O-CB 3.41Å; L15-I19 VanDerWaalsContact O-CG1 3.26Å; L15-I19 WeakPolarHBondContact O-CG1 3.3Å; L15-I19 PolarHBondContact O-N 2.89Å
16	F	88.6	Confident	79.3	Confident	151 Å²	151	105.8 Å²	105.8	66%	0.662	55%	0.545	S	S	*	.	H	α-helix	trans	-64.1	-42.2	177	-175.3	-96.6	0	0	0	111.6	F12 V13 I14 I19 T20	F12-F16 WeakPolarHBondContact O-CB 3.48Å; F12-F16 PolarHBondContact O-N 3.11Å; V13-F16 PolarHBondContact O-N 3.09Å; I14-F16 PolarHBondContact O-N 3.49Å; F16-I19 PolarHBondContact O-N 2.66Å; F16-T20 WeakPolarHBondContact O-CB 3.38Å; F16-T20 PolarHBondContact O-N 3.41Å; F16-T20 PolarHBondContact O-OG1 3.42Å
17	A	92.2	Very high	78.7	Confident	44 Å²	44	103.7 Å²	103.7	36%	0.364	55%	0.545	S	S	.	.	H	α-helix	trans	-62.2	-45.2	174.9	0	0	0	0	0	111.6	V13 I14 T20 I21	V13-A17 WeakPolarHBondContact O-CB 3.15Å; V13-A17 PolarHBondContact O-N 2.75Å; I14-A17 PolarHBondContact O-N 2.93Å; A17-T20 PolarHBondContact O-N 3.11Å; A17-I21 WeakPolarHBondContact O-CB 3.45Å; A17-I21 WeakPolarHBondContact O-CG1 3.47Å; A17-I21 PolarHBondContact O-N 2.89Å
18	L	91.3	Very high	78	Confident	104 Å²	104	104.4 Å²	104.4	55%	0.545	55%	0.553	S	S	.	*	H	α-helix	trans	-63.7	-41.7	177.9	-71.5	171.6	0	0	0	112.4	I14 L15 I21 L22	I14-L18 HydrophobicContact CG2-CD1 3.86Å; I14-L18 HydrophobicContact CG2-CG 4.36Å; I14-L18 WeakPolarHBondContact O-CB 3.38Å; I14-L18 VanDerWaalsContact O-CG 3.27Å; I14-L18 WeakPolarHBondContact O-CG 3.28Å; I14-L18 PolarHBondContact O-N 3.02Å; L15-L18 PolarHBondContact O-N 2.9Å; L18-I21 PolarHBondContact O-N 3.26Å; L18-L22 WeakPolarHBondContact O-CB 3.33Å; L18-L22 PolarHBondContact O-N 2.94Å
19	I	84.8	Confident	76.6	Confident	82 Å²	82	100.8 Å²	100.8	42%	0.421	56%	0.555	S	S	.	*	H	α-helix	trans	-66.5	-41.9	176.2	-68.7	166.2	0	0	0	110.5	L15 F16 I21 L22 I23	L15-I19 HydrophobicContact CD2-CD1 4.04Å; L15-I19 HydrophobicContact CG-CD1 4.24Å; L15-I19 WeakPolarHBondContact O-CB 3.41Å; L15-I19 VanDerWaalsContact O-CG1 3.26Å; L15-I19 WeakPolarHBondContact O-CG1 3.3Å; L15-I19 PolarHBondContact O-N 2.89Å; F16-I19 PolarHBondContact O-N 2.66Å; I19-I21 PolarHBondContact O-N 2.97Å; I19-L22 PolarHBondContact O-N 2.8Å; I19-I23 HydrophobicContact CG2-CD1 3.79Å; I19-I23 HydrophobicContact CG2-CG1 4.39Å; I19-I23 WeakPolarHBondContact O-CB 3.14Å; I19-I23 VanDerWaalsContact O-CG1 3.25Å; I19-I23 WeakPolarHBondContact O-CG1 3.38Å; I19-I23 PolarHBondContact O-N 3.26Å
20	T	85.3	Confident	75	Confident	53 Å²	53	100.8 Å²	100.8	33%	0.325	56%	0.56	S	S	.	*	H	α-helix	trans	-64.6	-41.6	177.5	-52.3	0	0	0	0	111	F16 A17 I23 L24	F16-T20 WeakPolarHBondContact O-CB 3.38Å; F16-T20 PolarHBondContact O-N 3.41Å; F16-T20 PolarHBondContact O-OG1 3.42Å; A17-T20 PolarHBondContact O-N 3.11Å; T20-I23 PolarHBondContact O-N 3.48Å; T20-L24 HydrophobicContact CG2-CD1 4.31Å; T20-L24 WeakPolarHBondContact O-CB 3.28Å; T20-L24 VanDerWaalsContact O-CG 3.29Å; T20-L24 WeakPolarHBondContact O-CG 2.9Å; T20-L24 PolarHBondContact O-N 3.3Å
21	I	84.6	Confident	73.3	Confident	103 Å²	103	106 Å²	106	53%	0.528	58%	0.581	S	S	.	*	H	α-helix	trans	-63.4	-43.1	173.8	-70.7	167	0	0	0	110.7	A17 L18 I19 I23 L24 Y25	A17-I21 WeakPolarHBondContact O-CB 3.45Å; A17-I21 WeakPolarHBondContact O-CG1 3.47Å; A17-I21 PolarHBondContact O-N 2.89Å; L18-I21 PolarHBondContact O-N 3.26Å; I19-I21 PolarHBondContact O-N 2.97Å; I21-I23 VanDerWaalsContact C-N 3.35Å; I21-I23 PolarHBondContact O-N 2.96Å; I21-L24 PolarHBondContact O-N 2.98Å; I21-Y25 VanDerWaalsContact O-CB 3.26Å; I21-Y25 WeakPolarHBondContact O-CB 3.37Å; I21-Y25 PolarHBondContact O-N 3.48Å
22	L	77.6	Confident	71	Confident	119 Å²	119	108.7 Å²	108.7	62%	0.623	59%	0.588	S	S	*	*	H	α-helix	trans	-63.7	-39.3	176.4	-172.4	70.7	0	0	0	111.7	L18 I19 Y25 S26	L18-L22 WeakPolarHBondContact O-CB 3.33Å; L18-L22 PolarHBondContact O-N 2.94Å; I19-L22 PolarHBondContact O-N 2.8Å; L22-Y25 PolarHBondContact O-N 2.81Å; L22-S26 WeakPolarHBondContact O-CB 3.26Å; L22-S26 PolarHBondContact O-N 3.36Å; L22-S26 PolarHBondContact O-OG 3.48Å
23	I	73.8	Confident	68.7	Low	96 Å²	96	107.3 Å²	107.3	49%	0.492	59%	0.591	S	S	.	*	H	α-helix	trans	-65	-43.4	174.5	-69.1	166.4	0	0	0	110.3	I19 T20 I21 S26 S27	I19-I23 HydrophobicContact CG2-CD1 3.79Å; I19-I23 HydrophobicContact CG2-CG1 4.39Å; I19-I23 WeakPolarHBondContact O-CB 3.14Å; I19-I23 VanDerWaalsContact O-CG1 3.25Å; I19-I23 WeakPolarHBondContact O-CG1 3.38Å; I19-I23 PolarHBondContact O-N 3.26Å; T20-I23 PolarHBondContact O-N 3.48Å; I21-I23 VanDerWaalsContact C-N 3.35Å; I21-I23 PolarHBondContact O-N 2.96Å; I23-S26 WeakPolarHBondContact CA-OG 3.47Å; I23-S26 PolarHBondContact O-OG 3Å; I23-S27 WeakPolarHBondContact O-CB 3.41Å; I23-S27 PolarHBondContact O-N 3.38Å; I23-S27 PolarHBondContact O-OG 3.27Å
24	L	72.8	Confident	66.2	Low	119 Å²	119	110.1 Å²	110.1	62%	0.623	60%	0.595	S	S	*	*	H	α-helix	trans	-67.3	-37.3	176.7	-70.1	171.9	0	0	0	112.4	T20 I21	T20-L24 HydrophobicContact CG2-CD1 4.31Å; T20-L24 WeakPolarHBondContact O-CB 3.28Å; T20-L24 VanDerWaalsContact O-CG 3.29Å; T20-L24 WeakPolarHBondContact O-CG 2.9Å; T20-L24 PolarHBondContact O-N 3.3Å; I21-L24 PolarHBondContact O-N 2.98Å
25	Y	72.8	Confident	63.3	Low	184 Å²	184	113.8 Å²	113.8	72%	0.722	61%	0.61	S	S	*	*	H	α-helix	trans	-74.6	-41.3	179	-153.9	-92.9	0	0	0	111.9	I21 L22 S27 N28	I21-Y25 VanDerWaalsContact O-CB 3.26Å; I21-Y25 WeakPolarHBondContact O-CB 3.37Å; I21-Y25 PolarHBondContact O-N 3.48Å; L22-Y25 PolarHBondContact O-N 2.81Å; Y25-S27 VanDerWaalsContact C-N 3.32Å; Y25-N28 PolarHBondContact O-N 3.32Å; Y25-N28 VanDerWaalsContact O-N 3.17Å
26	S	57.4	Low	60.8	Low	73 Å²	73	117 Å²	117	51%	0.51	62%	0.616	S	S	.	*	H	α-helix	trans	-70.8	-27.7	174.4	60.9	0	0	0	0	112.6	L22 I23 N28	L22-S26 WeakPolarHBondContact O-CB 3.26Å; L22-S26 PolarHBondContact O-N 3.36Å; L22-S26 PolarHBondContact O-OG 3.48Å; I23-S26 WeakPolarHBondContact CA-OG 3.47Å; I23-S26 PolarHBondContact O-OG 3Å; S26-N28 PolarHBondContact O-N 3.35Å
27	S	51	Low	58.4	Low	92 Å²	92	112.5 Å²	112.5	64%	0.643	61%	0.612	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71	-7.1	171.8	-63.5	0	0	0	0	113.2	I23 Y25	I23-S27 WeakPolarHBondContact O-CB 3.41Å; I23-S27 PolarHBondContact O-N 3.38Å; I23-S27 PolarHBondContact O-OG 3.27Å; Y25-S27 VanDerWaalsContact C-N 3.32Å
28	N	51.4	Low	55.8	Low	137 Å²	137	116.2 Å²	116.2	73%	0.733	64%	0.636	S	S	*	*	T	Hydrogen-bonded Turn	trans	-115.5	17.9	-178.5	-144.4	19.9	0	0	0	114.9	Y25 S26	Y25-N28 PolarHBondContact O-N 3.32Å; Y25-N28 VanDerWaalsContact O-N 3.17Å; S26-N28 PolarHBondContact O-N 3.35Å
29	S	41.5	Very low	53.4	Low	102 Å²	102	119 Å²	119	71%	0.713	65%	0.65	S	S	*	*			trans	-110.1	112.2	162.4	-80.5	0	0	0	0	108.5
30	A	39.8	Very low	51.5	Low	80 Å²	80	127.3 Å²	127.3	66%	0.661	68%	0.676	S	S	*	*			cis	-148.9	125.3	26.2	0	0	0	0	0	111.3	E32	A30-E32 VanDerWaalsContact C-N 3.25Å; A30-E32 HydrophobicContact CB-CG 4.01Å; A30-E32 PolarHBondContact O-N 2.91Å
31	N	41.4	Very low	49.1	Very low	156 Å²	156	127.6 Å²	127.6	83%	0.834	69%	0.69	S	S	*	*			trans	-77.5	84.2	146.6	-111.7	-7.3	0	0	0	106.6	V33	N31-V33 VanDerWaalsContact C-N 3.33Å; N31-V33 PolarHBondContact O-N 3.41Å
32	E	36.5	Very low	47	Very low	144 Å²	144	134.5 Å²	134.5	67%	0.673	71%	0.709	S	S	*	*			trans	-74.3	96.4	163.4	-75.8	-145.1	158.4	0	0	108.5	A30 F34	A30-E32 VanDerWaalsContact C-N 3.25Å; A30-E32 HydrophobicContact CB-CG 4.01Å; A30-E32 PolarHBondContact O-N 2.91Å; E32-F34 VanDerWaalsContact C-N 3.31Å; E32-F34 PolarHBondContact O-N 3.37Å
33	V	34.6	Very low	44.9	Very low	116 Å²	116	135.5 Å²	135.5	70%	0.703	72%	0.721	S	S	*	*			trans	-64.3	97.2	160.2	178	0	0	0	0	106.3	N31 H35	N31-V33 VanDerWaalsContact C-N 3.33Å; N31-V33 PolarHBondContact O-N 3.41Å; V33-H35 PolarHBondContact O-N 2.91Å
34	F	34.1	Very low	43.9	Very low	160 Å²	160	138.9 Å²	138.9	70%	0.702	73%	0.727	S	S	*	*			trans	-59.9	108.7	174.7	-84.7	-89.2	0	0	0	109.9	E32 Y36	E32-F34 VanDerWaalsContact C-N 3.31Å; E32-F34 PolarHBondContact O-N 3.37Å; F34-Y36 PolarHBondContact O-N 2.79Å
35	H	29.8	Very low	42.4	Very low	179 Å²	179	144.4 Å²	144.4	83%	0.829	74%	0.74	S	S	*	*			trans	-67.5	109.1	162.8	-76.3	-79.6	0	0	0	108.6	V33 G37	V33-H35 PolarHBondContact O-N 2.91Å; H35-G37 VanDerWaalsContact C-N 3.34Å; H35-G37 PolarHBondContact O-N 2.85Å
36	Y	36.1	Very low	41	Very low	163 Å²	163	141.6 Å²	141.6	64%	0.639	74%	0.744	S	S	*	*			trans	-67.6	92.9	169.2	-87.8	-91.9	0	0	0	109.3	F34 R168	F34-Y36 PolarHBondContact O-N 2.79Å; Y36-R168 PolarHBondContact OH-NE 3.29Å; Y36-R168 PolarHBondContact OH-NH1 3.38Å; Y36-R168 PolarHBondContact OH-NH2 3.16Å; Y36-R168 VanDerWaalsContact OH-NH2 3.14Å
37	G	37.1	Very low	40.5	Very low	56 Å²	56	141.9 Å²	141.9	58%	0.577	74%	0.743	S	S	*	*			trans	-63.7	129.5	156.6	0	0	0	0	0	109	H35 L39	H35-G37 VanDerWaalsContact C-N 3.34Å; H35-G37 PolarHBondContact O-N 2.85Å; G37-L39 PolarHBondContact O-N 2.83Å
38	S	37.4	Very low	40.1	Very low	122 Å²	122	142.8 Å²	142.8	85%	0.853	74%	0.74	S	S	*	*			trans	-63.5	96	176.8	-177.4	0	0	0	0	110.3	R40	S38-R40 PolarHBondContact O-N 2.82Å
39	L	40.9	Very low	39.8	Very low	162 Å²	162	141.5 Å²	141.5	85%	0.848	73%	0.733	S	S	*	*			trans	-87.2	105.7	170	-75.5	166	0	0	0	108.7	G37 G41	G37-L39 PolarHBondContact O-N 2.83Å; L39-G41 PolarHBondContact O-N 2.88Å
40	R	45.3	Very low	39.7	Very low	257 Å²	257	145.6 Å²	145.6	97%	0.97	74%	0.738	S	S	*	*			trans	-61.3	87.8	162.5	-93.4	179.5	168.8	173.6	-3	108.8	S38	S38-R40 PolarHBondContact O-N 2.82Å
41	G	35.9	Very low	39.7	Very low	59 Å²	59	149.8 Å²	149.8	61%	0.608	74%	0.741	S	S	*	*			trans	-118.8	135.7	173.1	0	0	0	0	0	110.6	L39 T43	L39-G41 PolarHBondContact O-N 2.88Å; G41-T43 PolarHBondContact O-N 3.02Å
42	R	39.5	Very low	39.6	Very low	248 Å²	248	146.4 Å²	146.4	94%	0.936	72%	0.717	S	S	*	*			trans	-30.1	121.4	178	-135.6	170.4	-175.4	171.3	0.2	113.1	R44	R42-R44 PolarHBondContact O-N 2.58Å
43	T	33.7	Very low	39.9	Very low	141 Å²	141	143.8 Å²	143.8	87%	0.865	71%	0.714	S	S	*	*			trans	-63.8	92	-179.4	39	0	0	0	0	111.7	G41 R45	G41-T43 PolarHBondContact O-N 3.02Å; T43-R45 PolarHBondContact O-N 3.03Å
44	R	52.1	Low	40.4	Very low	166 Å²	166	145.8 Å²	145.8	63%	0.626	71%	0.714	S	S	*	*	P	Polyproline II helix	trans	-71.7	120.6	163.6	-75.6	-178.6	173.7	172.6	-1.9	108	R42	R42-R44 PolarHBondContact O-N 2.58Å
45	R	43.1	Very low	41.1	Very low	236 Å²	236	144.2 Å²	144.2	89%	0.891	72%	0.723	S	S	*	*	P	Polyproline II helix	trans	-57.8	132.5	177.9	-78.1	-177.7	177	179.2	-1.9	109.8	T43 V47	T43-R45 PolarHBondContact O-N 3.03Å; R45-V47 PolarHBondContact O-N 2.67Å
46	P	42.4	Very low	42.6	Very low	125 Å²	125	138.5 Å²	138.5	81%	0.812	70%	0.703	S	S	*	*	P	Polyproline II helix	trans	-63.9	134.3	176.4	23.6	-30	0	0	0	110.5	N48	P46-N48 PolarHBondContact O-N 3.01Å
47	V	46.6	Very low	44.5	Very low	79 Å²	79	132.6 Å²	132.6	48%	0.479	69%	0.688	S	S	.	*	P	Polyproline II helix	trans	-63.1	129.8	176.7	-179.1	0	0	0	0	109.1	R45 L49	R45-V47 PolarHBondContact O-N 2.67Å; V47-L49 PolarHBondContact O-N 3.25Å
48	N	42.8	Very low	46.9	Very low	111 Å²	111	131.2 Å²	131.2	59%	0.594	67%	0.665	S	S	*	*			trans	-72.2	107.9	-178.8	-175.1	-16.5	0	0	0	111	P46 K50 K51	P46-N48 PolarHBondContact O-N 3.01Å; N48-K50 VanDerWaalsContact C-N 3.25Å; N48-K50 PolarHBondContact O-N 3.5Å; N48-K50 WeakPolarHBondContact OD1-CB 3.22Å; N48-K50 PolarHBondContact OD1-N 3.15Å; N48-K51 PolarHBondContact O-N 3.33Å
49	L	44.9	Very low	49.3	Very low	110 Å²	110	127.2 Å²	127.2	58%	0.576	63%	0.633	S	S	*	*	G	3₁₀ helix	trans	-68.5	-14.5	-176.3	-62.4	168.9	0	0	0	114.2	V47 K51 W52	V47-L49 PolarHBondContact O-N 3.25Å; L49-K51 PolarHBondContact O-N 3.23Å; L49-W52 WeakPolarHBondContact O-CB 3.32Å; L49-W52 PolarHBondContact O-N 2.73Å; L49-W52 VanDerWaalsContact O-N 3.17Å
50	K	39.8	Very low	51.6	Low	187 Å²	187	121 Å²	121	81%	0.813	60%	0.602	S	S	*	*	G	3₁₀ helix	trans	-67.6	-19	174.4	-76	-172.3	174.6	-174.4	0	113.1	N48 W52	N48-K50 VanDerWaalsContact C-N 3.25Å; N48-K50 PolarHBondContact O-N 3.5Å; N48-K50 WeakPolarHBondContact OD1-CB 3.22Å; N48-K50 PolarHBondContact OD1-N 3.15Å; K50-W52 VanDerWaalsContact C-N 3.27Å; K50-W52 PolarHBondContact O-N 2.54Å
51	K	39.7	Very low	53.6	Low	168 Å²	168	109.3 Å²	109.3	73%	0.73	56%	0.559	S	S	*	*	G	3₁₀ helix	trans	-78.2	-6.5	173.3	-101.3	-173.2	174.9	-172.8	0	114.1	N48 L49 S53 F54	N48-K51 PolarHBondContact O-N 3.33Å; L49-K51 PolarHBondContact O-N 3.23Å; K51-S53 PolarHBondContact O-N 3.09Å; K51-S53 VanDerWaalsContact O-N 3.08Å; K51-F54 PolarHBondContact O-N 2.92Å
52	W	39.9	Very low	55.8	Low	86 Å²	86	107.4 Å²	107.4	33%	0.326	54%	0.535	S	S	.	.	G	3₁₀ helix	trans	-60.1	-20.7	179.8	-169.8	21.2	0	0	0	113.6	L49 K50 P152 Q156 P183	L49-W52 WeakPolarHBondContact O-CB 3.32Å; L49-W52 PolarHBondContact O-N 2.73Å; L49-W52 VanDerWaalsContact O-N 3.17Å; K50-W52 VanDerWaalsContact C-N 3.27Å; K50-W52 PolarHBondContact O-N 2.54Å; W52-P152 HydrophobicContact CH2-CB 3.71Å; W52-P152 HydrophobicContact CH2-CG 4.46Å; W52-P152 HydrophobicContact CZ2-CB 3.83Å; W52-P152 HydrophobicContact CZ2-CG 4.14Å; W52-Q156 VanDerWaalsContact CE2-NE2 3.31Å; W52-Q156 HydrophobicContact CH2-CB 4.29Å; W52-Q156 HydrophobicContact CH2-CG 4.04Å; W52-Q156 HydrophobicContact CZ2-CG 4.49Å; W52-Q156 VanDerWaalsContact CZ3-CD 3.43Å; W52-P183 HydrophobicContact CD2-CG 4.48Å; W52-P183 HydrophobicContact CZ2-CG 3.75Å
53	S	41.8	Very low	57.2	Low	89 Å²	89	98 Å²	98	62%	0.622	51%	0.514	S	S	*	.	G	3₁₀ helix	trans	-93	-10.8	-178.4	-172.4	0	0	0	0	114.7	K51	K51-S53 PolarHBondContact O-N 3.09Å; K51-S53 VanDerWaalsContact O-N 3.08Å
54	F	45.5	Very low	58.7	Low	157 Å²	157	98.8 Å²	98.8	69%	0.689	51%	0.513	S	S	*	.	S	Bend	trans	-138.3	109.5	-171.2	-67.1	-81.4	0	0	0	111.4	K51	K51-F54 PolarHBondContact O-N 2.92Å
55	S	48.8	Very low	59.7	Low	128 Å²	128	97.2 Å²	97.2	90%	0.895	51%	0.511	S	S	*	.	S	Bend	trans	83.6	27.4	151.3	86.1	0	0	0	0	122.9
56	S	61.1	Low	61.4	Low	59 Å²	59	91.7 Å²	91.7	41%	0.413	50%	0.504	S	S	.	.			trans	-136.6	130.5	159.2	71	0	0	0	0	113.5	Y58 S182	S56-Y58 VanDerWaalsContact C-N 3.3Å; S56-Y58 WeakPolarHBondContact CB-O 3.38Å; S56-Y58 PolarHBondContact OG-O 3.04Å; S56-Y58 VanDerWaalsContact OG-O 3.11Å; S56-S182 WeakPolarHBondContact O-CB 3.24Å; S56-S182 PolarHBondContact O-OG 3.41Å
57	A	76.5	Confident	63.1	Low	39 Å²	39	87.1 Å²	87.1	32%	0.322	47%	0.472	S	S	.	.	S	Bend	trans	-63.5	-39.6	176.8	0	0	0	0	0	111.3	S182 R185	A57-S182 PolarHBondContact O-N 3.12Å; A57-S182 PolarHBondContact O-OG 2.78Å; A57-R185 HydrophobicContact CB-CB 4.39Å; A57-R185 HydrophobicContact CB-CG 4.04Å; A57-R185 WeakPolarHBondContact O-CB 3.39Å
58	Y	87.4	Confident	64.2	Low	26 Å²	26	85.6 Å²	85.6	10%	0.102	46%	0.464	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	133.9	172.4	-53.6	-81.7	0	0	0	108.7	S56 L67 I147 A180 V181 I217 E220	S56-Y58 VanDerWaalsContact C-N 3.3Å; S56-Y58 WeakPolarHBondContact CB-O 3.38Å; S56-Y58 PolarHBondContact OG-O 3.04Å; S56-Y58 VanDerWaalsContact OG-O 3.11Å; Y58-L67 HydrophobicContact CD1-CD2 4.08Å; Y58-L67 HydrophobicContact CD2-CB 4.38Å; Y58-L67 HydrophobicContact CD2-CD2 3.71Å; Y58-L67 HydrophobicContact CE1-CD2 4.31Å; Y58-L67 HydrophobicContact CE2-CD2 3.98Å; Y58-L67 HydrophobicContact CG-CB 4.42Å; Y58-L67 HydrophobicContact CG-CD2 3.77Å; Y58-I147 HydrophobicContact CD1-CG2 4.18Å; Y58-I147 HydrophobicContact CE1-CG2 4.21Å; Y58-A180 WeakPolarHBondContact CA-O 3.3Å; Y58-V181 HydrophobicContact CD1-CG2 4.21Å; Y58-V181 HydrophobicContact CE1-CG2 4.02Å; Y58-I217 HydrophobicContact CE1-CD1 4.49Å; Y58-I217 HydrophobicContact CE1-CG1 4.21Å; Y58-I217 WeakPolarHBondContact OH-CG1 3.46Å; Y58-E220 VanDerWaalsContact CE2-OE2 3.25Å; Y58-E220 WeakPolarHBondContact CE2-OE2 3.43Å; Y58-E220 VanDerWaalsContact CZ-OE2 3.32Å; Y58-E220 VanDerWaalsContact OH-CD 3.27Å; Y58-E220 PolarHBondContact OH-OE1 3.08Å; Y58-E220 PolarHBondContact OH-OE2 3.31Å
59	F	86.9	Confident	65.2	Low	39 Å²	39	83.4 Å²	83.4	17%	0.171	46%	0.457	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	131.7	174.2	66.3	-89.1	0	0	0	110.1	I61 L163 Y179 A180	F59-I61 HydrophobicContact CD2-CG1 4.26Å; F59-I61 HydrophobicContact CE2-CG1 3.88Å; F59-I61 PolarHBondContact O-N 3.36Å; F59-L163 HydrophobicContact CE2-CD1 4.06Å; F59-L163 HydrophobicContact CE2-CD2 3.98Å; F59-L163 HydrophobicContact CZ-CD1 4.16Å; F59-L163 HydrophobicContact CZ-CD2 3.97Å; F59-Y179 CarbonylContact O-C 3.59Å; F59-Y179 VanDerWaalsContact O-CA 3.31Å; F59-Y179 WeakPolarHBondContact O-CA 3.29Å; F59-A180 HydrophobicContact CD1-CB 4.05Å; F59-A180 WeakPolarHBondContact CD1-O 3.3Å; F59-A180 HydrophobicContact CD2-CB 4.35Å; F59-A180 HydrophobicContact CE1-CB 3.32Å; F59-A180 WeakPolarHBondContact CE1-O 3.46Å; F59-A180 HydrophobicContact CE2-CB 3.69Å; F59-A180 HydrophobicContact CZ-CB 3.13Å; F59-A180 PolarHBondContact N-O 3.42Å; F59-A180 PolarHBondContact O-N 3.27Å
60	P	89.9	Confident	66.5	Low	32 Å²	32	86.8 Å²	86.8	21%	0.208	46%	0.463	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.9	124	175.4	28.2	-32.9	0	0	0	109.3	Y179	P60-Y179 HydrophobicContact CB-CD1 4.08Å; P60-Y179 HydrophobicContact CB-CE1 3.96Å
61	I	87.2	Confident	68.9	Low	11 Å²	11	78 Å²	78	6%	0.056	42%	0.424	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	-38.9	168.7	-56.9	174.5	0	0	0	109.1	F59 F148 L163 I166 Q167 A178 A180	F59-I61 HydrophobicContact CD2-CG1 4.26Å; F59-I61 HydrophobicContact CE2-CG1 3.88Å; F59-I61 PolarHBondContact O-N 3.36Å; I61-F148 HydrophobicContact CD1-CB 4.47Å; I61-F148 HydrophobicContact CD1-CD2 3.92Å; I61-L163 HydrophobicContact CD1-CD2 3.72Å; I61-L163 HydrophobicContact CG1-CD2 4.09Å; I61-I166 HydrophobicContact CB-CG2 4.33Å; I61-I166 HydrophobicContact CD1-CB 4.43Å; I61-I166 HydrophobicContact CD1-CD1 3.81Å; I61-I166 HydrophobicContact CD1-CG2 3.98Å; I61-I166 HydrophobicContact CG2-CB 4.13Å; I61-I166 HydrophobicContact CG2-CG2 3.74Å; I61-Q167 HydrophobicContact CG2-CG 3.7Å; I61-A178 HydrophobicContact CB-CB 4.24Å; I61-A178 PolarHBondContact N-O 3.33Å; I61-A180 HydrophobicContact CD1-CB 3.69Å; I61-A180 HydrophobicContact CG1-CB 4.05Å
62	L	81.6	Confident	71.2	Confident	19 Å²	19	74.2 Å²	74.2	10%	0.099	41%	0.412	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	128.3	177.3	-62.1	175.4	0	0	0	108.9	G170 M176 A178	L62-G170 VanDerWaalsContact CD1-CA 3.46Å; L62-M176 HydrophobicContact CD1-CB 4.26Å; L62-M176 HydrophobicContact CD1-CG 4.11Å; L62-M176 WeakPolarHBondContact CD1-O 3.42Å; L62-M176 HydrophobicContact CD1-SD 4.08Å; L62-A178 HydrophobicContact CB-CB 4.15Å; L62-A178 HydrophobicContact CD1-CB 3.67Å; L62-A178 HydrophobicContact CG-CB 3.87Å; L62-A178 PolarHBondContact N-O 3.31Å; L62-A178 VanDerWaalsContact N-O 3.14Å
63	G	70.1	Confident	73.7	Confident	50 Å²	50	74.6 Å²	74.6	52%	0.515	42%	0.417	S	S	.	.	S	Bend	trans	84.6	-176.9	-176.6	0	0	0	0	0	113.8
64	N	64.4	Low	76.3	Confident	157 Å²	157	70.3 Å²	70.3	84%	0.84	39%	0.388	S	S	*	.	S	Bend	trans	-124.9	14.7	179.6	-75	-6.2	0	0	0	112.1
65	K	72.6	Confident	78.8	Confident	134 Å²	134	63 Å²	63	58%	0.583	36%	0.356	S	S	*	.			trans	-84.6	150.5	178.5	-62.1	-179.3	-175.3	173.4	0	109.3	Y179	K65-Y179 WeakPolarHBondContact O-CE1 3.21Å
66	T	79.6	Confident	81.2	Confident	120 Å²	120	57.1 Å²	57.1	74%	0.736	31%	0.314	S	S	*	.			trans	-69.6	150.5	161.2	49.4	0	0	0	0	108.7	P68	T66-P68 WeakPolarHBondContact O-CD 3.31Å
67	L	79	Confident	82.9	Confident	28 Å²	28	54.4 Å²	54.4	15%	0.147	30%	0.295	C	S	.	.			trans	-49	110.7	174.7	-178.4	66.1	0	0	0	108.7	Y58 V145 I147 Y179 L221	Y58-L67 HydrophobicContact CD1-CD2 4.08Å; Y58-L67 HydrophobicContact CD2-CB 4.38Å; Y58-L67 HydrophobicContact CD2-CD2 3.71Å; Y58-L67 HydrophobicContact CE1-CD2 4.31Å; Y58-L67 HydrophobicContact CE2-CD2 3.98Å; Y58-L67 HydrophobicContact CG-CB 4.42Å; Y58-L67 HydrophobicContact CG-CD2 3.77Å; L67-V145 HydrophobicContact CD1-CG1 3.69Å; L67-I147 HydrophobicContact CD1-CD1 4.06Å; L67-I147 HydrophobicContact CD1-CG1 4.13Å; L67-I147 HydrophobicContact CD2-CD1 3.87Å; L67-I147 HydrophobicContact CD2-CG1 4.5Å; L67-Y179 HydrophobicContact CB-CD1 4.04Å; L67-Y179 HydrophobicContact CB-CE1 4.11Å; L67-Y179 HydrophobicContact CB-CG 4.34Å; L67-Y179 HydrophobicContact CD1-CD1 4.28Å; L67-Y179 HydrophobicContact CD1-CD2 3.41Å; L67-Y179 VanDerWaalsContact CD1-CD2 3.41Å; L67-Y179 HydrophobicContact CD1-CE1 4.46Å; L67-Y179 HydrophobicContact CD1-CE2 3.65Å; L67-Y179 HydrophobicContact CD1-CG 3.78Å; L67-L221 HydrophobicContact CD2-CD2 4.02Å; L67-L221 HydrophobicContact CG-CD2 4.41Å
68	P	68.7	Low	83.9	Confident	48 Å²	48	54.2 Å²	54.2	31%	0.312	29%	0.29	S	S	.	.			trans	-85.5	167.4	-173.7	32.8	-32	0	0	0	110.8	T66 Y179	T66-P68 WeakPolarHBondContact O-CD 3.31Å; P68-Y179 VanDerWaalsContact CD-OH 3.31Å; P68-Y179 WeakPolarHBondContact CD-OH 3.41Å
69	S	64.6	Low	84.3	Confident	64 Å²	64	57 Å²	57	45%	0.448	31%	0.313	S	S	.	.			trans	79.9	126	170.7	154.9	0	0	0	0	116.4	C71	S69-C71 PolarHBondContact OG-SG 3.12Å; S69-C71 VanDerWaalsContact OG-SG 3.35Å
70	R	71.9	Confident	84.7	Confident	182 Å²	182	56.8 Å²	56.8	69%	0.687	32%	0.317	S	S	*	.			trans	-105.1	126.3	149.6	-76.6	-177.8	173.1	-119.7	-4	106.6	L221	R70-L221 CarbonylContact C-O 3.57Å; R70-L221 WeakPolarHBondContact CA-O 3.46Å
71	C	89.1	Confident	85	Confident	1 Å²	1	59.3 Å²	59.3	1%	0.007	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	147.8	171	-44.1	0	0	0	0	108.7	S69 E96 C97 L221 C222 D223	S69-C71 PolarHBondContact OG-SG 3.12Å; S69-C71 VanDerWaalsContact OG-SG 3.35Å; C71-E96 HydrophobicContact CB-CG 4.31Å; C71-C97 HydrophobicContact CB-CB 3.61Å; C71-C97 WeakPolarHBondContact CB-SG 3.5Å; C71-C97 WeakPolarHBondContact SG-CB 3.39Å; C71-C97 CovalentContact SG-SG 2.01Å; C71-C97 PolarHBondContact SG-SG 2.86Å; C71-L221 PolarHBondContact N-O 3.42Å; C71-C222 VanDerWaalsContact O-CA 3.24Å; C71-C222 WeakPolarHBondContact O-CA 2.93Å; C71-D223 PolarHBondContact O-N 3.47Å
72	N	89.3	Confident	85.5	Confident	90 Å²	90	65.8 Å²	65.8	48%	0.481	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.8	-47.1	172.4	-178.2	26.7	0	0	0	109.9	E96 D223 H224	N72-E96 WeakPolarHBondContact CB-OE2 3.03Å; N72-E96 PolarHBondContact N-OE2 2.97Å; N72-D223 PolarHBondContact O-N 3.5Å; N72-H224 PolarHBondContact O-N 3.45Å
73	Q	92.7	Very high	86.2	Confident	93 Å²	93	65.2 Å²	65.2	44%	0.435	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	124.8	179.7	-173.6	175.8	-7.9	0	0	112.7	E96 C97	Q73-E96 PolarHBondContact N-OE2 2.8Å; Q73-C97 PolarHBondContact O-N 3.15Å; Q73-C97 VanDerWaalsContact O-N 3.16Å
74	C	95.5	Very high	87.6	Confident	0 Å²	0	67.5 Å²	67.5	0%	0	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	144.9	171.2	-69.1	0	0	0	0	112.1	C97 I99 C222 H224 V225 H226	C74-C97 WeakPolarHBondContact CA-O 3.36Å; C74-C97 VanDerWaalsContact SG-CB 3.56Å; C74-I99 HydrophobicContact CB-CD1 4.09Å; C74-C222 HydrophobicContact CB-CB 3.56Å; C74-C222 WeakPolarHBondContact CB-SG 3.47Å; C74-C222 WeakPolarHBondContact SG-CB 3.34Å; C74-C222 CovalentContact SG-SG 2Å; C74-C222 PolarHBondContact SG-SG 3.43Å; C74-H224 PolarHBondContact N-O 2.88Å; C74-V225 WeakPolarHBondContact O-CA 3.21Å; C74-H226 PolarHBondContact O-N 3.36Å
75	V	98	Very high	89.2	Confident	3 Å²	3	62.8 Å²	62.8	2%	0.018	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	122.8	167.3	170.3	0	0	0	0	109.1	I77 I92 A95 C97 I99 H226 Y228	V75-I77 HydrophobicContact CG1-CD1 3.77Å; V75-I77 HydrophobicContact CG1-CG1 4.06Å; V75-I92 HydrophobicContact CG1-CG1 4.44Å; V75-I92 HydrophobicContact CG1-CG2 4.38Å; V75-A95 HydrophobicContact CB-CB 3.89Å; V75-A95 HydrophobicContact CG2-CB 3.43Å; V75-A95 VanDerWaalsContact CG2-CB 3.43Å; V75-C97 PolarHBondContact N-O 3.38Å; V75-I99 PolarHBondContact O-N 3.31Å; V75-H226 CarbonylContact C-O 3.21Å; V75-H226 VanDerWaalsContact CA-O 3.32Å; V75-H226 WeakPolarHBondContact CA-O 3.38Å; V75-H226 HydrophobicContact CG2-CB 4.31Å; V75-Y228 HydrophobicContact CB-CE2 4.41Å; V75-Y228 HydrophobicContact CG1-CD2 3.27Å; V75-Y228 HydrophobicContact CG1-CE2 3.38Å; V75-Y228 HydrophobicContact CG2-CE2 4.07Å
76	I	98.5	Very high	90.4	Very high	4 Å²	4	59.1 Å²	59.1	2%	0.021	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	125	167.3	-59.5	173.4	0	0	0	108.1	I99 M101 T214 M215 A218 V225 H226 V227 Y228	I76-I99 HydrophobicContact CG1-CB 4.28Å; I76-I99 HydrophobicContact CG1-CD1 4.33Å; I76-M101 HydrophobicContact CG2-CE 3.59Å; I76-T214 HydrophobicContact CD1-CG2 4.17Å; I76-T214 HydrophobicContact CG1-CG2 4.28Å; I76-T214 HydrophobicContact CG2-CG2 3.99Å; I76-M215 HydrophobicContact CD1-CE 4.41Å; I76-M215 HydrophobicContact CD1-SD 4.15Å; I76-A218 HydrophobicContact CD1-CB 3.69Å; I76-A218 HydrophobicContact CG1-CB 4.17Å; I76-V225 HydrophobicContact CD1-CG1 3.61Å; I76-V225 HydrophobicContact CG1-CG1 3.93Å; I76-H226 PolarHBondContact N-O 3.26Å; I76-V227 HydrophobicContact CB-CG1 4.26Å; I76-V227 HydrophobicContact CB-CG2 4.19Å; I76-V227 HydrophobicContact CD1-CG2 4.12Å; I76-V227 HydrophobicContact CG2-CG1 4.34Å; I76-V227 WeakPolarHBondContact O-CA 3.39Å; I76-Y228 PolarHBondContact O-N 3.34Å
77	I	98.4	Very high	91.3	Very high	3 Å²	3	61 Å²	61	2%	0.015	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105	111.5	169.8	-58.1	93.4	0	0	0	107.6	V75 L83 I92 T98 I99 R100 V113	V75-I77 HydrophobicContact CG1-CD1 3.77Å; V75-I77 HydrophobicContact CG1-CG1 4.06Å; I77-L83 HydrophobicContact CG2-CD1 3.54Å; I77-I92 HydrophobicContact CD1-CG2 3.73Å; I77-I92 HydrophobicContact CG1-CD1 4.09Å; I77-I92 HydrophobicContact CG1-CG2 4.03Å; I77-T98 HydrophobicContact CD1-CG2 3.17Å; I77-I99 PolarHBondContact N-O 3.13Å; I77-R100 HydrophobicContact CD1-CG 4.48Å; I77-V113 HydrophobicContact CG2-CB 4.14Å; I77-V113 HydrophobicContact CG2-CG1 4.16Å
78	T	96.6	Very high	92.2	Very high	34 Å²	34	61.6 Å²	61.6	21%	0.209	34%	0.34	C	S	.	.			trans	-70.2	173.9	174.3	72.5	0	0	0	0	110.7	S80 M101 V227 Y228 G229	T78-S80 VanDerWaalsContact C-N 3.28Å; T78-S80 VanDerWaalsContact OG1-CB 3.26Å; T78-S80 WeakPolarHBondContact OG1-CB 3.32Å; T78-S80 PolarHBondContact OG1-N 3.49Å; T78-M101 HydrophobicContact CG2-CE 4.27Å; T78-V227 HydrophobicContact CG2-CG1 3.86Å; T78-Y228 WeakPolarHBondContact CB-O 3.08Å; T78-Y228 WeakPolarHBondContact CG2-O 3.48Å; T78-Y228 PolarHBondContact N-O 2.87Å; T78-Y228 PolarHBondContact OG1-O 3.5Å; T78-G229 WeakPolarHBondContact OG1-CA 3.14Å
79	S	96.1	Very high	93.6	Very high	84 Å²	84	59.4 Å²	59.4	59%	0.587	33%	0.326	S	S	*	.			trans	-95.7	23.6	173.9	-50.1	0	0	0	0	112.4	A104	S79-A104 WeakPolarHBondContact OG-CB 3.32Å
80	S	95.8	Very high	95.2	Very high	36 Å²	36	60.8 Å²	60.8	25%	0.252	33%	0.333	S	S	.	.			trans	-71.8	138.1	-178.1	-177	0	0	0	0	111.7	T78 H82 L83 G229	T78-S80 VanDerWaalsContact C-N 3.28Å; T78-S80 VanDerWaalsContact OG1-CB 3.26Å; T78-S80 WeakPolarHBondContact OG1-CB 3.32Å; T78-S80 PolarHBondContact OG1-N 3.49Å; S80-H82 PolarHBondContact O-N 3.17Å; S80-H82 PolarHBondContact OG-N 2.87Å; S80-L83 PolarHBondContact O-N 3.21Å; S80-G229 WeakPolarHBondContact CB-O 3.44Å; S80-G229 PolarHBondContact OG-O 3.05Å
81	S	95.8	Very high	96.4	Very high	85 Å²	85	56.2 Å²	56.2	59%	0.594	32%	0.32	S	S	*	.	G	3₁₀ helix	trans	-68.5	-14.2	175.6	54.5	0	0	0	0	113.1	L83 L84	S81-L83 PolarHBondContact O-N 2.85Å; S81-L83 VanDerWaalsContact O-N 3.11Å; S81-L84 WeakPolarHBondContact O-CB 3.36Å; S81-L84 WeakPolarHBondContact O-CG 3.49Å; S81-L84 PolarHBondContact O-N 3.34Å
82	H	96.8	Very high	96.8	Very high	147 Å²	147	56.2 Å²	56.2	68%	0.681	32%	0.32	S	S	*	.	G	3₁₀ helix	trans	-62.1	-16.7	176	-68.9	174	0	0	0	113.5	S80 L84 T86	S80-H82 PolarHBondContact O-N 3.17Å; S80-H82 PolarHBondContact OG-N 2.87Å; H82-L84 VanDerWaalsContact C-N 3.33Å; H82-T86 WeakPolarHBondContact O-CG2 3.41Å
83	L	97.7	Very high	97.1	Very high	7 Å²	7	55 Å²	55	4%	0.037	31%	0.311	C	S	.	.	G	3₁₀ helix	trans	-76.6	-20.2	175.5	-63	176	0	0	0	113.2	I77 S80 S81 G85 T86 L88 D112 V113	I77-L83 HydrophobicContact CG2-CD1 3.54Å; S80-L83 PolarHBondContact O-N 3.21Å; S81-L83 PolarHBondContact O-N 2.85Å; S81-L83 VanDerWaalsContact O-N 3.11Å; L83-G85 PolarHBondContact O-N 3.36Å; L83-T86 WeakPolarHBondContact O-CB 3.23Å; L83-T86 VanDerWaalsContact O-CG2 3.29Å; L83-T86 WeakPolarHBondContact O-CG2 3.46Å; L83-T86 PolarHBondContact O-N 3.16Å; L83-T86 PolarHBondContact O-OG1 3.19Å; L83-L88 HydrophobicContact CD2-CD1 4.38Å; L83-D112 VanDerWaalsContact O-CB 3.28Å; L83-D112 WeakPolarHBondContact O-CB 3.15Å; L83-V113 HydrophobicContact CB-CG1 4.07Å; L83-V113 HydrophobicContact CD1-CG1 4.01Å
84	L	97.9	Very high	97.2	Very high	98 Å²	98	59.8 Å²	59.8	51%	0.513	33%	0.325	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66	127	-176.1	-60.2	178.1	0	0	0	111	S81 H82 T86 Y109	S81-L84 WeakPolarHBondContact O-CB 3.36Å; S81-L84 WeakPolarHBondContact O-CG 3.49Å; S81-L84 PolarHBondContact O-N 3.34Å; H82-L84 VanDerWaalsContact C-N 3.33Å; L84-T86 VanDerWaalsContact C-N 3.27Å; L84-T86 PolarHBondContact O-N 2Å; L84-Y109 HydrophobicContact CD2-CD1 3.45Å; L84-Y109 VanDerWaalsContact CD2-CD1 3.45Å; L84-Y109 HydrophobicContact CD2-CE1 3.61Å
85	G	97.9	Very high	97.2	Very high	57 Å²	57	60.1 Å²	60.1	59%	0.588	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.6	0.7	-178.6	0	0	0	0	0	115.3	L83 K87 D112	L83-G85 PolarHBondContact O-N 3.36Å; G85-K87 VanDerWaalsContact C-N 3.3Å; G85-K87 PolarHBondContact O-N 3.47Å; G85-D112 VanDerWaalsContact C-OD1 3.32Å; G85-D112 WeakPolarHBondContact CA-OD1 3.43Å; G85-D112 PolarHBondContact N-OD1 2.92Å; G85-D112 VanDerWaalsContact N-OD1 3.14Å; G85-D112 PolarHBondContact N-OD2 3.04Å
86	T	98.1	Very high	97.1	Very high	57 Å²	57	65 Å²	65	35%	0.35	35%	0.351	S	S	.	.			trans	-72.8	-22.1	-179.9	61.8	0	0	0	0	113.5	H82 L83 L84 L88 D112	H82-T86 WeakPolarHBondContact O-CG2 3.41Å; L83-T86 WeakPolarHBondContact O-CB 3.23Å; L83-T86 VanDerWaalsContact O-CG2 3.29Å; L83-T86 WeakPolarHBondContact O-CG2 3.46Å; L83-T86 PolarHBondContact O-N 3.16Å; L83-T86 PolarHBondContact O-OG1 3.19Å; L84-T86 VanDerWaalsContact C-N 3.27Å; L84-T86 PolarHBondContact O-N 2Å; T86-L88 HydrophobicContact CG2-CD1 4.34Å; T86-L88 PolarHBondContact O-N 3.31Å; T86-D112 PolarHBondContact N-OD1 2.91Å; T86-D112 VanDerWaalsContact N-OD1 3.12Å
87	K	98.1	Very high	97	Very high	161 Å²	161	65.2 Å²	65.2	70%	0.7	35%	0.352	S	S	*	.			trans	56.4	28.2	-176.7	-56.2	-178.8	-178.3	178	0	114.3	G85 G89 P90 A111 D112	G85-K87 VanDerWaalsContact C-N 3.3Å; G85-K87 PolarHBondContact O-N 3.47Å; K87-G89 PolarHBondContact O-N 2.01Å; K87-P90 WeakPolarHBondContact O-CD 3.33Å; K87-A111 CarbonylContact C-O 3.47Å; K87-A111 WeakPolarHBondContact CA-O 3.48Å; K87-D112 PolarHBondContact N-OD1 3.35Å
88	L	98.1	Very high	96.9	Very high	40 Å²	40	65 Å²	65	21%	0.209	35%	0.351	C	S	.	.			trans	-75.4	-4	179.6	-68.1	168	0	0	0	113.7	L83 T86 E91 I92 D112 Y228	L83-L88 HydrophobicContact CD2-CD1 4.38Å; T86-L88 HydrophobicContact CG2-CD1 4.34Å; T86-L88 PolarHBondContact O-N 3.31Å; L88-E91 WeakPolarHBondContact O-CA 3.35Å; L88-E91 WeakPolarHBondContact O-CB 3.25Å; L88-E91 PolarHBondContact O-N 3.14Å; L88-I92 HydrophobicContact CB-CD1 3.96Å; L88-I92 HydrophobicContact CB-CG1 4.43Å; L88-I92 WeakPolarHBondContact O-CG1 3.4Å; L88-I92 PolarHBondContact O-N 2.87Å; L88-D112 CarbonylContact C-O 3.54Å; L88-D112 WeakPolarHBondContact CB-O 3.12Å; L88-Y228 HydrophobicContact CD1-CD1 3.72Å; L88-Y228 HydrophobicContact CD1-CE1 3.96Å; L88-Y228 HydrophobicContact CD2-CE1 4.38Å
89	G	98.1	Very high	97	Very high	2 Å²	2	63.5 Å²	63.5	2%	0.021	34%	0.342	C	S	.	.	H	α-helix	trans	-51	-50.6	-175.9	0	0	0	0	0	114.2	K87 E91 I92 E93 A111 D112	K87-G89 PolarHBondContact O-N 2.01Å; G89-E91 VanDerWaalsContact C-N 3.27Å; G89-E91 PolarHBondContact O-N 3.44Å; G89-I92 PolarHBondContact O-N 3.05Å; G89-E93 VanDerWaalsContact O-CG 3.28Å; G89-E93 WeakPolarHBondContact O-CG 3.24Å; G89-E93 PolarHBondContact O-N 3.45Å; G89-A111 VanDerWaalsContact CA-O 3.3Å; G89-A111 WeakPolarHBondContact CA-O 3.35Å; G89-A111 PolarHBondContact N-O 3.35Å; G89-D112 PolarHBondContact N-O 3.17Å; G89-D112 VanDerWaalsContact N-O 3.15Å
90	P	98.1	Very high	97.1	Very high	92 Å²	92	59.7 Å²	59.7	60%	0.597	31%	0.314	S	S	*	.	H	α-helix	trans	-61.7	-31.8	176.7	-24.7	35.5	0	0	0	114.1	K87	K87-P90 WeakPolarHBondContact O-CD 3.33Å
91	E	97.2	Very high	97.2	Very high	86 Å²	86	58.6 Å²	58.6	40%	0.402	31%	0.306	S	S	.	.	H	α-helix	trans	-71	-48.1	175.6	178.1	172.4	-178.7	0	0	111.2	L88 G89 E93 R94 Y228	L88-E91 WeakPolarHBondContact O-CA 3.35Å; L88-E91 WeakPolarHBondContact O-CB 3.25Å; L88-E91 PolarHBondContact O-N 3.14Å; G89-E91 VanDerWaalsContact C-N 3.27Å; G89-E91 PolarHBondContact O-N 3.44Å; E91-E93 VanDerWaalsContact C-N 3.26Å; E91-E93 PolarHBondContact O-N 2.89Å; E91-R94 WeakPolarHBondContact O-CB 3.39Å; E91-R94 PolarHBondContact O-N 3.18Å; E91-R94 VanDerWaalsContact O-N 3.09Å; E91-Y228 VanDerWaalsContact CD-OH 3.27Å; E91-Y228 PolarHBondContact OE1-OH 2.92Å
92	I	97.4	Very high	97.4	Very high	1 Å²	1	55.9 Å²	55.9	1%	0.005	28%	0.284	C	S	.	.	H	α-helix	trans	-58.2	-39.7	177.7	-69.9	163	0	0	0	111.2	V75 I77 L88 G89 R94 A95 T98 Y228	V75-I92 HydrophobicContact CG1-CG1 4.44Å; V75-I92 HydrophobicContact CG1-CG2 4.38Å; I77-I92 HydrophobicContact CD1-CG2 3.73Å; I77-I92 HydrophobicContact CG1-CD1 4.09Å; I77-I92 HydrophobicContact CG1-CG2 4.03Å; L88-I92 HydrophobicContact CB-CD1 3.96Å; L88-I92 HydrophobicContact CB-CG1 4.43Å; L88-I92 WeakPolarHBondContact O-CG1 3.4Å; L88-I92 PolarHBondContact O-N 2.87Å; G89-I92 PolarHBondContact O-N 3.05Å; I92-R94 PolarHBondContact O-N 3.02Å; I92-A95 VanDerWaalsContact O-CB 3.3Å; I92-A95 WeakPolarHBondContact O-CB 3.03Å; I92-A95 PolarHBondContact O-N 3.16Å; I92-A95 VanDerWaalsContact O-N 3.11Å; I92-T98 HydrophobicContact CG2-CG2 4.4Å; I92-Y228 HydrophobicContact CD1-CD2 4.08Å; I92-Y228 HydrophobicContact CD1-CE2 4.4Å; I92-Y228 HydrophobicContact CD1-CG 4.43Å; I92-Y228 HydrophobicContact CG1-CD2 3.72Å; I92-Y228 HydrophobicContact CG1-CE2 3.6Å; I92-Y228 HydrophobicContact CG1-CG 4.47Å
93	E	96.1	Very high	97.4	Very high	64 Å²	64	51.5 Å²	51.5	30%	0.299	27%	0.266	S	S	.	.	H	α-helix	trans	-61.6	-23.8	179.1	-77	-68.8	174.7	0	0	113.6	G89 E91 A95 N115 K116	G89-E93 VanDerWaalsContact O-CG 3.28Å; G89-E93 WeakPolarHBondContact O-CG 3.24Å; G89-E93 PolarHBondContact O-N 3.45Å; E91-E93 VanDerWaalsContact C-N 3.26Å; E91-E93 PolarHBondContact O-N 2.89Å; E93-A95 VanDerWaalsContact C-N 3.32Å; E93-A95 PolarHBondContact O-N 2.91Å; E93-N115 WeakPolarHBondContact OE1-CA 3.48Å; E93-N115 PolarHBondContact OE1-N 3.12Å; E93-K116 WeakPolarHBondContact O-CE 3.48Å; E93-K116 PolarHBondContact O-NZ 3.36Å; E93-K116 PolarHBondContact OE1-N 3.38Å; E93-K116 WeakPolarHBondContact OE2-CB 3.23Å
94	R	96.1	Very high	97.4	Very high	195 Å²	195	51.8 Å²	51.8	74%	0.736	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.7	-15.8	177	-67.5	-175.5	-67.8	165	-1.3	113.9	E91 I92	E91-R94 WeakPolarHBondContact O-CB 3.39Å; E91-R94 PolarHBondContact O-N 3.18Å; E91-R94 VanDerWaalsContact O-N 3.09Å; I92-R94 PolarHBondContact O-N 3.02Å
95	A	94.9	Very high	97.4	Very high	7 Å²	7	49.8 Å²	49.8	6%	0.058	26%	0.262	C	S	.	.	S	Bend	trans	-62.1	144.1	179.1	0	0	0	0	0	111.1	V75 I92 E93 K116	V75-A95 HydrophobicContact CB-CB 3.89Å; V75-A95 HydrophobicContact CG2-CB 3.43Å; V75-A95 VanDerWaalsContact CG2-CB 3.43Å; I92-A95 VanDerWaalsContact O-CB 3.3Å; I92-A95 WeakPolarHBondContact O-CB 3.03Å; I92-A95 PolarHBondContact O-N 3.16Å; I92-A95 VanDerWaalsContact O-N 3.11Å; E93-A95 VanDerWaalsContact C-N 3.32Å; E93-A95 PolarHBondContact O-N 2.91Å; A95-K116 WeakPolarHBondContact O-CE 3.47Å; A95-K116 PolarHBondContact O-NZ 2.89Å
96	E	94.9	Very high	97.4	Very high	106 Å²	106	47.1 Å²	47.1	50%	0.495	24%	0.235	S	C	.	.	S	Bend	trans	-61.3	-52.3	174.9	-176.9	-172.1	167.8	0	0	110.3	C71 N72 Q73	C71-E96 HydrophobicContact CB-CG 4.31Å; N72-E96 WeakPolarHBondContact CB-OE2 3.03Å; N72-E96 PolarHBondContact N-OE2 2.97Å; Q73-E96 PolarHBondContact N-OE2 2.8Å
97	C	96.3	Very high	97.4	Very high	7 Å²	7	47.4 Å²	47.4	5%	0.047	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	134.9	-179.6	-69.3	0	0	0	0	112.4	C71 Q73 C74 V75 T118 F119	C71-C97 HydrophobicContact CB-CB 3.61Å; C71-C97 WeakPolarHBondContact CB-SG 3.5Å; C71-C97 WeakPolarHBondContact SG-CB 3.39Å; C71-C97 CovalentContact SG-SG 2.01Å; C71-C97 PolarHBondContact SG-SG 2.86Å; Q73-C97 PolarHBondContact O-N 3.15Å; Q73-C97 VanDerWaalsContact O-N 3.16Å; C74-C97 WeakPolarHBondContact CA-O 3.36Å; C74-C97 VanDerWaalsContact SG-CB 3.56Å; V75-C97 PolarHBondContact N-O 3.38Å; C97-T118 WeakPolarHBondContact CA-OG1 3.02Å; C97-T118 HydrophobicContact CB-CG2 4.31Å; C97-F119 HydrophobicContact CB-CE2 4.23Å
98	T	97.4	Very high	97.3	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	122.3	179.7	-57.4	0	0	0	0	110.3	I77 I92 R100 K116 T118 F119	I77-T98 HydrophobicContact CD1-CG2 3.17Å; I92-T98 HydrophobicContact CG2-CG2 4.4Å; T98-R100 HydrophobicContact CG2-CG 4.46Å; T98-K116 WeakPolarHBondContact CG2-O 3.48Å; T98-K116 WeakPolarHBondContact OG1-CE 3.25Å; T98-T118 PolarHBondContact N-OG1 2.76Å; T98-T118 PolarHBondContact O-N 3.19Å; T98-F119 PolarHBondContact O-N 3.32Å
99	I	98.3	Very high	97.3	Very high	1 Å²	1	46.5 Å²	46.5	1%	0.005	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	123.8	-178.1	-47	-180	0	0	0	109.8	C74 V75 I76 I77 F119 V121 T214 A218	C74-I99 HydrophobicContact CB-CD1 4.09Å; V75-I99 PolarHBondContact O-N 3.31Å; I76-I99 HydrophobicContact CG1-CB 4.28Å; I76-I99 HydrophobicContact CG1-CD1 4.33Å; I77-I99 PolarHBondContact N-O 3.13Å; I99-F119 WeakPolarHBondContact CA-O 3.48Å; I99-F119 HydrophobicContact CG1-CB 4.23Å; I99-F119 HydrophobicContact CG1-CD2 4.16Å; I99-F119 HydrophobicContact CG2-CB 4.18Å; I99-V121 HydrophobicContact CG2-CG2 4.13Å; I99-T214 HydrophobicContact CB-CG2 4.49Å; I99-T214 HydrophobicContact CG2-CG2 3.56Å; I99-A218 HydrophobicContact CD1-CB 3.62Å
100	R	98.4	Very high	97.3	Very high	4 Å²	4	48.8 Å²	48.8	2%	0.015	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	161.2	176.3	-62.7	-171.9	-167.2	-93.7	-5.7	111.8	I77 T98 T106 V113 G114 K116 T117 F119 R120 V121	I77-R100 HydrophobicContact CD1-CG 4.48Å; T98-R100 HydrophobicContact CG2-CG 4.46Å; R100-T106 VanDerWaalsContact CZ-CG2 3.41Å; R100-V113 PolarHBondContact NH1-O 3.33Å; R100-V113 PolarHBondContact NH2-O 2.94Å; R100-G114 PolarHBondContact NH2-O 3.37Å; R100-K116 PolarHBondContact NE-O 3.45Å; R100-K116 VanDerWaalsContact NE-O 3.15Å; R100-K116 PolarHBondContact NH2-O 3.07Å; R100-T117 HydrophobicContact CB-CG2 4.14Å; R100-T117 VanDerWaalsContact CD-OG1 3.28Å; R100-T117 WeakPolarHBondContact CD-OG1 3.38Å; R100-T117 HydrophobicContact CG-CG2 4.2Å; R100-T117 PolarHBondContact NE-OG1 3.47Å; R100-F119 PolarHBondContact N-O 3.16Å; R100-R120 CarbonylContact O-C 3.52Å; R100-R120 VanDerWaalsContact O-CA 3.31Å; R100-R120 WeakPolarHBondContact O-CA 3.37Å; R100-V121 PolarHBondContact O-N 3.03Å
101	M	98.5	Very high	97.3	Very high	14 Å²	14	47.3 Å²	47.3	7%	0.069	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	142.2	-175.8	-60.3	176	-134.9	0	0	111.8	I76 T78 D103 A104 V121 T210 G211 T214	I76-M101 HydrophobicContact CG2-CE 3.59Å; T78-M101 HydrophobicContact CG2-CE 4.27Å; M101-D103 PolarHBondContact O-N 3.31Å; M101-A104 WeakPolarHBondContact O-CB 3.21Å; M101-A104 PolarHBondContact O-N 2.82Å; M101-A104 VanDerWaalsContact O-N 3.07Å; M101-V121 CarbonylContact C-O 3.54Å; M101-V121 WeakPolarHBondContact CA-O 3.31Å; M101-T210 HydrophobicContact CB-CG2 3.87Å; M101-T210 HydrophobicContact CG-CG2 3.91Å; M101-T210 HydrophobicContact SD-CG2 4.2Å; M101-G211 VanDerWaalsContact SD-CA 3.55Å; M101-T214 HydrophobicContact CE-CG2 4.04Å; M101-T214 HydrophobicContact CG-CG2 4.2Å; M101-T214 WeakPolarHBondContact CG-OG1 3.45Å
102	N	98.5	Very high	97.4	Very high	27 Å²	27	44.2 Å²	44.2	14%	0.144	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	47.4	-132	167.6	-58.9	-49.9	0	0	0	112.1	R120 V121 A123 S126 V130 T210	N102-R120 WeakPolarHBondContact O-CD 3.5Å; N102-R120 PolarHBondContact O-NH1 3.06Å; N102-V121 PolarHBondContact N-O 2.69Å; N102-A123 PolarHBondContact OD1-N 2.97Å; N102-S126 VanDerWaalsContact CG-OG 3.29Å; N102-S126 WeakPolarHBondContact OD1-CB 3.36Å; N102-S126 PolarHBondContact OD1-OG 3.33Å; N102-V130 VanDerWaalsContact C-CG2 3.5Å; N102-V130 VanDerWaalsContact O-CG2 3.3Å; N102-V130 WeakPolarHBondContact O-CG2 3.36Å; N102-T210 WeakPolarHBondContact ND2-CB 3.49Å; N102-T210 PolarHBondContact ND2-OG1 3.49Å; N102-T210 PolarHBondContact OD1-OG1 3.27Å
103	D	97.9	Very high	97.4	Very high	55 Å²	55	44.8 Å²	44.8	29%	0.294	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.6	27.9	178.4	55.2	-49.3	0	0	0	113.5	M101 P105 R129 V130 F137	M101-D103 PolarHBondContact O-N 3.31Å; D103-P105 VanDerWaalsContact O-CD 3.23Å; D103-P105 WeakPolarHBondContact O-CD 3.22Å; D103-R129 HydrophobicContact CB-CB 4.1Å; D103-R129 VanDerWaalsContact CG-NE 3.31Å; D103-R129 IonicContact OD1-CZ 3.34Å; D103-R129 IonicContact OD1-NE 2.62Å; D103-R129 PolarHBondContact OD1-NE 3.04Å; D103-R129 IonicContact OD1-NH2 3.76Å; D103-R129 PolarHBondContact OD1-NH2 3.32Å; D103-R129 WeakPolarHBondContact OD2-CD 3.28Å; D103-R129 IonicContact OD2-CZ 3.53Å; D103-R129 IonicContact OD2-NE 4Å; D103-R129 PolarHBondContact OD2-NE 3.08Å; D103-R129 IonicContact OD2-NH2 2.8Å; D103-V130 HydrophobicContact CB-CG2 4.21Å; D103-F137 HydrophobicContact CB-CE1 4.36Å; D103-F137 HydrophobicContact CB-CE2 4.01Å; D103-F137 HydrophobicContact CB-CZ 3.7Å; D103-F137 WeakPolarHBondContact O-CE1 3.46Å; D103-F137 VanDerWaalsContact O-CZ 3.24Å; D103-F137 WeakPolarHBondContact O-CZ 3.25Å
104	A	97.9	Very high	97.5	Very high	14 Å²	14	41.8 Å²	41.8	12%	0.116	24%	0.24	C	C	.	.			trans	-64.8	113.7	171.5	0	0	0	0	0	110.2	S79 M101 R120	S79-A104 WeakPolarHBondContact OG-CB 3.32Å; M101-A104 WeakPolarHBondContact O-CB 3.21Å; M101-A104 PolarHBondContact O-N 2.82Å; M101-A104 VanDerWaalsContact O-N 3.07Å; A104-R120 PolarHBondContact O-NH1 3.15Å; A104-R120 PolarHBondContact O-NH2 2.88Å
105	P	97.4	Very high	97.6	Very high	55 Å²	55	34.6 Å²	34.6	36%	0.357	22%	0.217	S	C	.	.			trans	-83.2	166	-175	35.7	-35.2	0	0	0	111.8	D103 Y109 E136	D103-P105 VanDerWaalsContact O-CD 3.23Å; D103-P105 WeakPolarHBondContact O-CD 3.22Å; P105-Y109 HydrophobicContact CG-CD2 3.98Å; P105-Y109 HydrophobicContact CG-CE2 3.92Å; P105-E136 WeakPolarHBondContact CA-OE1 3.42Å; P105-E136 HydrophobicContact CB-CG 4.3Å; P105-E136 WeakPolarHBondContact CB-OE1 3.34Å
106	T	97.8	Very high	97.6	Very high	1 Å²	1	37 Å²	37	1%	0.006	23%	0.226	C	C	.	.			trans	-116.9	-30.3	170.4	57.9	0	0	0	0	111.2	R100 G108 Y109 S110 G114 E136	R100-T106 VanDerWaalsContact CZ-CG2 3.41Å; T106-G108 PolarHBondContact O-N 2.8Å; T106-Y109 CarbonylContact O-C 3.54Å; T106-Y109 PolarHBondContact O-N 2.69Å; T106-S110 PolarHBondContact O-N 3.32Å; T106-G114 WeakPolarHBondContact CB-O 3.47Å; T106-G114 VanDerWaalsContact CG2-O 3.32Å; T106-G114 WeakPolarHBondContact CG2-O 3.34Å; T106-E136 PolarHBondContact N-OE1 3.35Å; T106-E136 PolarHBondContact OG1-OE1 3.04Å
107	S	97.3	Very high	97.7	Very high	63 Å²	63	32.2 Å²	32.2	44%	0.441	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.9	126.5	176.2	-66.6	0	0	0	0	111.1	Y109 E136	S107-Y109 VanDerWaalsContact C-N 3.27Å; S107-Y109 VanDerWaalsContact O-CD2 3.29Å; S107-Y109 WeakPolarHBondContact O-CD2 3.24Å; S107-Y109 PolarHBondContact O-N 2.89Å; S107-E136 WeakPolarHBondContact CB-OE2 3.47Å; S107-E136 PolarHBondContact N-OE1 2.91Å; S107-E136 VanDerWaalsContact N-OE1 3.09Å; S107-E136 PolarHBondContact OG-OE2 3.04Å
108	G	97.4	Very high	97.7	Very high	78 Å²	78	33.5 Å²	33.5	80%	0.804	21%	0.211	S	C	*	.	T	Hydrogen-bonded Turn	trans	83.6	-9.4	-174.3	0	0	0	0	0	115	T106	T106-G108 PolarHBondContact O-N 2.8Å
109	Y	98.1	Very high	97.7	Very high	105 Å²	105	33.7 Å²	33.7	41%	0.412	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	-126.5	2.9	-176.4	-56.7	-77.9	0	0	0	113.4	L84 P105 T106 S107 A111 D112 V113	L84-Y109 HydrophobicContact CD2-CD1 3.45Å; L84-Y109 VanDerWaalsContact CD2-CD1 3.45Å; L84-Y109 HydrophobicContact CD2-CE1 3.61Å; P105-Y109 HydrophobicContact CG-CD2 3.98Å; P105-Y109 HydrophobicContact CG-CE2 3.92Å; T106-Y109 CarbonylContact O-C 3.54Å; T106-Y109 PolarHBondContact O-N 2.69Å; S107-Y109 VanDerWaalsContact C-N 3.27Å; S107-Y109 VanDerWaalsContact O-CD2 3.29Å; S107-Y109 WeakPolarHBondContact O-CD2 3.24Å; S107-Y109 PolarHBondContact O-N 2.89Å; Y109-A111 PolarHBondContact O-N 3.5Å; Y109-A111 VanDerWaalsContact O-N 3.09Å; Y109-D112 PolarHBondContact O-N 3.25Å; Y109-V113 WeakPolarHBondContact O-CG2 3.25Å; Y109-V113 PolarHBondContact O-N 2.91Å
110	S	97.8	Very high	97.7	Very high	49 Å²	49	33.8 Å²	33.8	34%	0.343	21%	0.213	S	C	.	.	H	α-helix	trans	-59.1	-27.9	-170.8	59.7	0	0	0	0	114.5	T106 D112 G114 N115	T106-S110 PolarHBondContact O-N 3.32Å; S110-D112 PolarHBondContact O-N 3.45Å; S110-G114 VanDerWaalsContact O-CA 3.24Å; S110-G114 WeakPolarHBondContact O-CA 3.26Å; S110-G114 PolarHBondContact O-N 2.95Å; S110-N115 WeakPolarHBondContact CB-OD1 3.27Å
111	A	98.4	Very high	97.7	Very high	61 Å²	61	33.6 Å²	33.6	50%	0.504	21%	0.212	S	C	.	.	H	α-helix	trans	-61.1	-36.2	173.3	0	0	0	0	0	112	K87 G89 Y109	K87-A111 CarbonylContact C-O 3.47Å; K87-A111 WeakPolarHBondContact CA-O 3.48Å; G89-A111 VanDerWaalsContact CA-O 3.3Å; G89-A111 WeakPolarHBondContact CA-O 3.35Å; G89-A111 PolarHBondContact N-O 3.35Å; Y109-A111 PolarHBondContact O-N 3.5Å; Y109-A111 VanDerWaalsContact O-N 3.09Å
112	D	98.6	Very high	97.7	Very high	21 Å²	21	32.9 Å²	32.9	11%	0.112	21%	0.209	C	C	.	.	H	α-helix	trans	-92.2	-39.2	-177.2	-67.1	-34.5	0	0	0	112.3	L83 G85 T86 K87 L88 G89 Y109 S110	L83-D112 VanDerWaalsContact O-CB 3.28Å; L83-D112 WeakPolarHBondContact O-CB 3.15Å; G85-D112 VanDerWaalsContact C-OD1 3.32Å; G85-D112 WeakPolarHBondContact CA-OD1 3.43Å; G85-D112 PolarHBondContact N-OD1 2.92Å; G85-D112 VanDerWaalsContact N-OD1 3.14Å; G85-D112 PolarHBondContact N-OD2 3.04Å; T86-D112 PolarHBondContact N-OD1 2.91Å; T86-D112 VanDerWaalsContact N-OD1 3.12Å; K87-D112 PolarHBondContact N-OD1 3.35Å; L88-D112 CarbonylContact C-O 3.54Å; L88-D112 WeakPolarHBondContact CB-O 3.12Å; G89-D112 PolarHBondContact N-O 3.17Å; G89-D112 VanDerWaalsContact N-O 3.15Å; Y109-D112 PolarHBondContact O-N 3.25Å; S110-D112 PolarHBondContact O-N 3.45Å
113	V	98.3	Very high	97.7	Very high	13 Å²	13	31.7 Å²	31.7	8%	0.079	20%	0.203	C	C	.	.	H	α-helix	trans	-117.4	-4.6	-168.9	-55.6	0	0	0	0	114.5	I77 L83 R100 Y109	I77-V113 HydrophobicContact CG2-CB 4.14Å; I77-V113 HydrophobicContact CG2-CG1 4.16Å; L83-V113 HydrophobicContact CB-CG1 4.07Å; L83-V113 HydrophobicContact CD1-CG1 4.01Å; R100-V113 PolarHBondContact NH1-O 3.33Å; R100-V113 PolarHBondContact NH2-O 2.94Å; Y109-V113 WeakPolarHBondContact O-CG2 3.25Å; Y109-V113 PolarHBondContact O-N 2.91Å
114	G	97.8	Very high	97.5	Very high	1 Å²	1	31 Å²	31	1%	0.01	20%	0.197	C	C	.	.			trans	71.4	178.6	-171.9	0	0	0	0	0	113.2	R100 T106 S110	R100-G114 PolarHBondContact NH2-O 3.37Å; T106-G114 WeakPolarHBondContact CB-O 3.47Å; T106-G114 VanDerWaalsContact CG2-O 3.32Å; T106-G114 WeakPolarHBondContact CG2-O 3.34Å; S110-G114 VanDerWaalsContact O-CA 3.24Å; S110-G114 WeakPolarHBondContact O-CA 3.26Å; S110-G114 PolarHBondContact O-N 2.95Å
115	N	96.9	Very high	97.4	Very high	45 Å²	45	33.8 Å²	33.8	24%	0.241	22%	0.216	C	C	.	.	S	Bend	trans	-109.9	-31.9	178.3	-64.7	-64.2	0	0	0	113	E93 S110 T117 R140	E93-N115 WeakPolarHBondContact OE1-CA 3.48Å; E93-N115 PolarHBondContact OE1-N 3.12Å; S110-N115 WeakPolarHBondContact CB-OD1 3.27Å; N115-T117 PolarHBondContact O-N 2.97Å; N115-R140 PolarHBondContact OD1-NH2 3.48Å
116	K	95.7	Very high	97.4	Very high	56 Å²	56	31.3 Å²	31.3	24%	0.243	20%	0.2	C	C	.	.			trans	-60.1	140.4	-177.5	-177.7	169.4	58.3	-174.2	0	111.7	E93 A95 T98 R100	E93-K116 WeakPolarHBondContact O-CE 3.48Å; E93-K116 PolarHBondContact O-NZ 3.36Å; E93-K116 PolarHBondContact OE1-N 3.38Å; E93-K116 WeakPolarHBondContact OE2-CB 3.23Å; A95-K116 WeakPolarHBondContact O-CE 3.47Å; A95-K116 PolarHBondContact O-NZ 2.89Å; T98-K116 WeakPolarHBondContact CG2-O 3.48Å; T98-K116 WeakPolarHBondContact OG1-CE 3.25Å; R100-K116 PolarHBondContact NE-O 3.45Å; R100-K116 VanDerWaalsContact NE-O 3.15Å; R100-K116 PolarHBondContact NH2-O 3.07Å
117	T	97.4	Very high	97.4	Very high	7 Å²	7	31.2 Å²	31.2	4%	0.043	20%	0.2	C	C	.	.			trans	-143.1	119.7	171.2	-53.8	0	0	0	0	106.3	R100 N115 R120 T144	R100-T117 HydrophobicContact CB-CG2 4.14Å; R100-T117 VanDerWaalsContact CD-OG1 3.28Å; R100-T117 WeakPolarHBondContact CD-OG1 3.38Å; R100-T117 HydrophobicContact CG-CG2 4.2Å; R100-T117 PolarHBondContact NE-OG1 3.47Å; N115-T117 PolarHBondContact O-N 2.97Å; T117-R120 HydrophobicContact CG2-CB 4.17Å; T117-T144 HydrophobicContact CG2-CG2 4.02Å; T117-T144 PolarHBondContact O-OG1 2.83Å
118	T	96.2	Very high	97.4	Very high	33 Å²	33	33 Å²	33	20%	0.202	20%	0.2	C	C	.	.	S	Bend	trans	-96.7	-48	175.4	-47.9	0	0	0	0	109.5	C97 T98 V145	C97-T118 WeakPolarHBondContact CA-OG1 3.02Å; C97-T118 HydrophobicContact CB-CG2 4.31Å; T98-T118 PolarHBondContact N-OG1 2.76Å; T98-T118 PolarHBondContact O-N 3.19Å; T118-V145 PolarHBondContact O-N 2.91Å
119	F	97.3	Very high	97.4	Very high	4 Å²	4	34.8 Å²	34.8	2%	0.018	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	136.5	176.5	-58.8	-80.3	0	0	0	110.3	C97 T98 I99 R100 V145 I147 L221	C97-F119 HydrophobicContact CB-CE2 4.23Å; T98-F119 PolarHBondContact O-N 3.32Å; I99-F119 WeakPolarHBondContact CA-O 3.48Å; I99-F119 HydrophobicContact CG1-CB 4.23Å; I99-F119 HydrophobicContact CG1-CD2 4.16Å; I99-F119 HydrophobicContact CG2-CB 4.18Å; R100-F119 PolarHBondContact N-O 3.16Å; F119-V145 CarbonylContact C-O 3.55Å; F119-V145 WeakPolarHBondContact CA-O 3.46Å; F119-V145 HydrophobicContact CD1-CB 3.72Å; F119-V145 HydrophobicContact CD1-CG1 3.98Å; F119-V145 HydrophobicContact CD1-CG2 4.47Å; F119-V145 HydrophobicContact CE1-CB 3.99Å; F119-V145 HydrophobicContact CE1-CG1 4.17Å; F119-V145 HydrophobicContact CE1-CG2 4.29Å; F119-I147 HydrophobicContact CD1-CD1 4.27Å; F119-L221 HydrophobicContact CD1-CD1 4.12Å; F119-L221 HydrophobicContact CD2-CD1 4.31Å; F119-L221 HydrophobicContact CE1-CD1 4.07Å; F119-L221 HydrophobicContact CE2-CD1 4.25Å; F119-L221 HydrophobicContact CG-CD1 4.25Å; F119-L221 HydrophobicContact CZ-CD1 4.13Å
120	R	98.1	Very high	97.3	Very high	3 Å²	3	29.8 Å²	29.8	1%	0.011	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	112.3	171.3	-169.9	171.5	-76.5	-89.8	-0.4	110.8	R100 N102 A104 T117 V122 T144 V145 F146 I147	R100-R120 CarbonylContact O-C 3.52Å; R100-R120 VanDerWaalsContact O-CA 3.31Å; R100-R120 WeakPolarHBondContact O-CA 3.37Å; N102-R120 WeakPolarHBondContact O-CD 3.5Å; N102-R120 PolarHBondContact O-NH1 3.06Å; A104-R120 PolarHBondContact O-NH1 3.15Å; A104-R120 PolarHBondContact O-NH2 2.88Å; T117-R120 HydrophobicContact CG2-CB 4.17Å; R120-V122 HydrophobicContact CG-CG2 3.8Å; R120-T144 HydrophobicContact CB-CG2 3.9Å; R120-V145 PolarHBondContact N-O 3.04Å; R120-F146 HydrophobicContact CB-CD1 4.09Å; R120-F146 HydrophobicContact CB-CE1 4.27Å; R120-F146 HydrophobicContact CG-CD1 4.47Å; R120-F146 WeakPolarHBondContact O-CA 3.23Å; R120-I147 PolarHBondContact O-N 3.44Å
121	V	98.4	Very high	97.3	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	119.3	177.8	-175.5	0	0	0	0	109.2	I99 R100 M101 N102 I147 T210 T214 I217	I99-V121 HydrophobicContact CG2-CG2 4.13Å; R100-V121 PolarHBondContact O-N 3.03Å; M101-V121 CarbonylContact C-O 3.54Å; M101-V121 WeakPolarHBondContact CA-O 3.31Å; N102-V121 PolarHBondContact N-O 2.69Å; V121-I147 CarbonylContact C-O 3.58Å; V121-I147 WeakPolarHBondContact CA-O 3.17Å; V121-T210 HydrophobicContact CB-CG2 4.39Å; V121-T210 HydrophobicContact CG1-CG2 4.01Å; V121-T214 VanDerWaalsContact CB-OG1 3.3Å; V121-T214 WeakPolarHBondContact CB-OG1 3.43Å; V121-T214 HydrophobicContact CG2-CG2 4.22Å; V121-I217 HydrophobicContact CG1-CD1 4.02Å; V121-I217 HydrophobicContact CG2-CD1 4.23Å
122	V	98.5	Very high	97.1	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	119.5	-169.8	-175.3	0	0	0	0	110.5	R120 V127 V130 F146 I147 F148 W149	R120-V122 HydrophobicContact CG-CG2 3.8Å; V122-V127 HydrophobicContact CG1-CG2 4.33Å; V122-V130 HydrophobicContact CG1-CB 4.5Å; V122-V130 HydrophobicContact CG1-CG2 3.94Å; V122-V130 HydrophobicContact CG2-CG2 4.23Å; V122-F146 HydrophobicContact CG2-CD1 4.35Å; V122-I147 PolarHBondContact N-O 3.24Å; V122-F148 HydrophobicContact CB-CD1 3.64Å; V122-F148 HydrophobicContact CB-CE1 3.77Å; V122-F148 HydrophobicContact CG1-CD1 3.86Å; V122-F148 HydrophobicContact CG1-CE1 3.8Å; V122-F148 HydrophobicContact CG2-CD1 4.45Å; V122-F148 HydrophobicContact CG2-CE1 4.17Å; V122-F148 CarbonylContact O-C 3.55Å; V122-F148 VanDerWaalsContact O-CA 3.29Å; V122-F148 WeakPolarHBondContact O-CA 3.4Å; V122-W149 PolarHBondContact O-N 2.67Å
123	A	97.7	Very high	97.1	Very high	2 Å²	2	40.6 Å²	40.6	2%	0.017	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.5	151.6	171.3	0	0	0	0	0	111.2	N102 S125 S126 V127 W149	N102-A123 PolarHBondContact OD1-N 2.97Å; A123-S125 PolarHBondContact O-N 2.98Å; A123-S125 VanDerWaalsContact O-N 3.08Å; A123-S126 WeakPolarHBondContact O-CA 3.32Å; A123-S126 WeakPolarHBondContact O-CB 3.45Å; A123-S126 PolarHBondContact O-N 2.9Å; A123-V127 PolarHBondContact O-N 3.33Å; A123-W149 CarbonylContact C-O 3.55Å; A123-W149 WeakPolarHBondContact CA-O 3.19Å; A123-W149 HydrophobicContact CB-CD2 4.44Å; A123-W149 HydrophobicContact CB-CZ2 3.67Å
124	H	95.4	Very high	96.9	Very high	39 Å²	39	41.4 Å²	41.4	18%	0.181	19%	0.192	C	C	.	.	G	3₁₀ helix	trans	-50.2	-36.6	175.3	74.9	-81.3	0	0	0	113.1	S126 W149 K154 M155 L162	H124-S126 PolarHBondContact O-N 3.09Å; H124-W149 PolarHBondContact N-O 2.87Å; H124-K154 HydrophobicContact CB-CB 4.45Å; H124-K154 VanDerWaalsContact CD2-CB 3.43Å; H124-K154 WeakPolarHBondContact CD2-CB 3.48Å; H124-M155 HydrophobicContact CB-CG 4.49Å; H124-M155 HydrophobicContact CB-SD 3.57Å; H124-M155 VanDerWaalsContact CB-SD 3.57Å; H124-L162 HydrophobicContact CB-CD1 3.67Å; H124-L162 WeakPolarHBondContact O-CD1 3.41Å
125	S	95.5	Very high	96.8	Very high	73 Å²	73	48 Å²	48	51%	0.51	22%	0.222	S	C	.	.	G	3₁₀ helix	trans	-71.6	-14.7	178.8	55.4	0	0	0	0	113.8	A123 R129	A123-S125 PolarHBondContact O-N 2.98Å; A123-S125 VanDerWaalsContact O-N 3.08Å; S125-R129 PolarHBondContact O-NH1 3.26Å
126	S	97.7	Very high	96.7	Very high	3 Å²	3	47.1 Å²	47.1	2%	0.021	22%	0.217	C	C	.	.	G	3₁₀ helix	trans	-106	-10.8	-176.8	-53.7	0	0	0	0	113.4	N102 A123 H124 F128 R129 V130	N102-S126 VanDerWaalsContact CG-OG 3.29Å; N102-S126 WeakPolarHBondContact OD1-CB 3.36Å; N102-S126 PolarHBondContact OD1-OG 3.33Å; A123-S126 WeakPolarHBondContact O-CA 3.32Å; A123-S126 WeakPolarHBondContact O-CB 3.45Å; A123-S126 PolarHBondContact O-N 2.9Å; H124-S126 PolarHBondContact O-N 3.09Å; S126-F128 VanDerWaalsContact C-N 3.32Å; S126-F128 PolarHBondContact O-N 3.35Å; S126-R129 PolarHBondContact O-N 3.03Å; S126-R129 PolarHBondContact OG-NH2 3.06Å; S126-V130 PolarHBondContact O-N 2.97Å
127	V	97.1	Very high	96.8	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-49.5	-50.3	-176.2	172.7	0	0	0	0	112.1	V122 A123 R129 V130 L131 F148 L162 I166	V122-V127 HydrophobicContact CG1-CG2 4.33Å; A123-V127 PolarHBondContact O-N 3.33Å; V127-R129 PolarHBondContact O-N 3.31Å; V127-V130 PolarHBondContact O-N 3.48Å; V127-L131 HydrophobicContact CG1-CD1 3.72Å; V127-L131 HydrophobicContact CG1-CG 4.39Å; V127-L131 WeakPolarHBondContact O-CB 3.25Å; V127-L131 WeakPolarHBondContact O-CG 3.37Å; V127-L131 PolarHBondContact O-N 3.31Å; V127-F148 HydrophobicContact CG1-CE1 4.49Å; V127-F148 HydrophobicContact CG2-CD1 3.73Å; V127-F148 HydrophobicContact CG2-CE1 3.98Å; V127-L162 HydrophobicContact CB-CD2 4.28Å; V127-L162 HydrophobicContact CG1-CD2 4.23Å; V127-L162 HydrophobicContact CG2-CD1 4.24Å; V127-I166 HydrophobicContact CG1-CD1 4.42Å; V127-I166 HydrophobicContact CG1-CG1 4.04Å
128	F	96.4	Very high	96.6	Very high	101 Å²	101	44.9 Å²	44.9	44%	0.443	21%	0.207	S	C	.	.	H	α-helix	trans	-67.2	-36.5	-179	-71.5	-69	0	0	0	113.2	S126 V130 R132 L162 V165	S126-F128 VanDerWaalsContact C-N 3.32Å; S126-F128 PolarHBondContact O-N 3.35Å; F128-V130 VanDerWaalsContact C-N 3.33Å; F128-R132 WeakPolarHBondContact O-CB 3.49Å; F128-R132 WeakPolarHBondContact O-CG 3.48Å; F128-R132 PolarHBondContact O-N 3.05Å; F128-L162 HydrophobicContact CD2-CD2 4.25Å; F128-L162 HydrophobicContact CE2-CD2 3.57Å; F128-L162 HydrophobicContact CZ-CD2 3.95Å; F128-V165 HydrophobicContact CD1-CG1 4.43Å; F128-V165 HydrophobicContact CE1-CG1 3.94Å; F128-V165 HydrophobicContact CE1-CG2 4.07Å; F128-V165 HydrophobicContact CZ-CG2 4.11Å
129	R	97.3	Very high	96.4	Very high	114 Å²	114	46.1 Å²	46.1	43%	0.43	21%	0.213	S	C	.	.	H	α-helix	trans	-66.8	-38.7	179.4	-64.2	-162.7	-56.3	-72.6	-8.7	111.3	D103 S125 S126 V127	D103-R129 HydrophobicContact CB-CB 4.1Å; D103-R129 VanDerWaalsContact CG-NE 3.31Å; D103-R129 IonicContact OD1-CZ 3.34Å; D103-R129 IonicContact OD1-NE 2.62Å; D103-R129 PolarHBondContact OD1-NE 3.04Å; D103-R129 IonicContact OD1-NH2 3.76Å; D103-R129 PolarHBondContact OD1-NH2 3.32Å; D103-R129 WeakPolarHBondContact OD2-CD 3.28Å; D103-R129 IonicContact OD2-CZ 3.53Å; D103-R129 IonicContact OD2-NE 4Å; D103-R129 PolarHBondContact OD2-NE 3.08Å; D103-R129 IonicContact OD2-NH2 2.8Å; S125-R129 PolarHBondContact O-NH1 3.26Å; S126-R129 PolarHBondContact O-N 3.03Å; S126-R129 PolarHBondContact OG-NH2 3.06Å; V127-R129 PolarHBondContact O-N 3.31Å
130	V	97.7	Very high	96.2	Very high	0 Å²	0	51.1 Å²	51.1	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-67.9	-54	175.3	174	0	0	0	0	111	N102 D103 V122 S126 V127 F128 R132 K133 F137 F146	N102-V130 VanDerWaalsContact C-CG2 3.5Å; N102-V130 VanDerWaalsContact O-CG2 3.3Å; N102-V130 WeakPolarHBondContact O-CG2 3.36Å; D103-V130 HydrophobicContact CB-CG2 4.21Å; V122-V130 HydrophobicContact CG1-CB 4.5Å; V122-V130 HydrophobicContact CG1-CG2 3.94Å; V122-V130 HydrophobicContact CG2-CG2 4.23Å; S126-V130 PolarHBondContact O-N 2.97Å; V127-V130 PolarHBondContact O-N 3.48Å; F128-V130 VanDerWaalsContact C-N 3.33Å; V130-R132 VanDerWaalsContact C-N 3.32Å; V130-R132 PolarHBondContact O-N 3.31Å; V130-K133 PolarHBondContact O-N 2.88Å; V130-F137 HydrophobicContact CB-CD2 4.49Å; V130-F137 HydrophobicContact CG1-CB 3.82Å; V130-F137 HydrophobicContact CG1-CD2 4.47Å; V130-F137 HydrophobicContact CG1-CG 4.28Å; V130-F137 WeakPolarHBondContact O-CD2 3.09Å; V130-F146 HydrophobicContact CG1-CE1 3.99Å
131	L	95.8	Very high	95.8	Very high	24 Å²	24	52.2 Å²	52.2	13%	0.126	24%	0.239	C	C	.	.	H	α-helix	trans	-72.7	-20.9	-173	-63.4	179.7	0	0	0	114	V127 K133 V165 I166 A169 M176	V127-L131 HydrophobicContact CG1-CD1 3.72Å; V127-L131 HydrophobicContact CG1-CG 4.39Å; V127-L131 WeakPolarHBondContact O-CB 3.25Å; V127-L131 WeakPolarHBondContact O-CG 3.37Å; V127-L131 PolarHBondContact O-N 3.31Å; L131-K133 VanDerWaalsContact C-N 3.31Å; L131-V165 HydrophobicContact CD1-CG1 3.98Å; L131-I166 HydrophobicContact CD1-CG1 4.21Å; L131-A169 HydrophobicContact CD1-CB 4.01Å; L131-A169 HydrophobicContact CD2-CB 3.95Å; L131-M176 HydrophobicContact CD2-CE 4Å
132	R	96.1	Very high	95.1	Very high	199 Å²	199	56 Å²	56	75%	0.751	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.8	-13.5	174.7	-77.3	178.5	173.8	-179.7	-2.6	114	F128 V130 P134	F128-R132 WeakPolarHBondContact O-CB 3.49Å; F128-R132 WeakPolarHBondContact O-CG 3.48Å; F128-R132 PolarHBondContact O-N 3.05Å; V130-R132 VanDerWaalsContact C-N 3.32Å; V130-R132 PolarHBondContact O-N 3.31Å; R132-P134 WeakPolarHBondContact O-CD 3.48Å
133	K	96.8	Very high	94.6	Very high	136 Å²	136	64.7 Å²	64.7	59%	0.591	30%	0.304	S	S	*	.			trans	-121.8	63.7	177.5	-65.6	-173	178.5	-175.2	0	110.7	V130 L131 Q135 E136 F137	V130-K133 PolarHBondContact O-N 2.88Å; L131-K133 VanDerWaalsContact C-N 3.31Å; K133-Q135 PolarHBondContact O-N 2.94Å; K133-E136 HydrophobicContact CB-CB 4.31Å; K133-E136 PolarHBondContact O-N 3.26Å; K133-E136 VanDerWaalsContact O-N 3.08Å; K133-F137 HydrophobicContact CB-CD2 3.76Å; K133-F137 HydrophobicContact CB-CE2 3.81Å; K133-F137 HydrophobicContact CD-CE2 4.14Å; K133-F137 HydrophobicContact CG-CE2 4.49Å; K133-F137 PolarHBondContact O-N 3.44Å
134	P	94.9	Very high	94.4	Very high	30 Å²	30	64.7 Å²	64.7	20%	0.195	30%	0.304	C	S	.	.	H	α-helix	trans	-62.8	-30.5	-174.6	26.2	-35.1	0	0	0	112.9	R132 E136 V138 N139 F173	R132-P134 WeakPolarHBondContact O-CD 3.48Å; P134-E136 VanDerWaalsContact C-N 3.26Å; P134-E136 PolarHBondContact O-N 2.88Å; P134-V138 HydrophobicContact CB-CB 4.22Å; P134-V138 HydrophobicContact CB-CG2 4.31Å; P134-V138 CarbonylContact O-C 3.48Å; P134-V138 WeakPolarHBondContact O-CA 3.32Å; P134-V138 WeakPolarHBondContact O-CB 3.45Å; P134-V138 PolarHBondContact O-N 3.37Å; P134-N139 PolarHBondContact O-N 2.82Å; P134-F173 HydrophobicContact CB-CE1 3.79Å; P134-F173 HydrophobicContact CB-CE2 4Å; P134-F173 HydrophobicContact CB-CZ 3.29Å; P134-F173 HydrophobicContact CG-CZ 3.87Å
135	Q	95	Very high	94.4	Very high	139 Å²	139	63.5 Å²	63.5	65%	0.65	30%	0.299	S	S	*	.	H	α-helix	trans	-63.6	-32.6	176.7	-59.3	-56.3	-15.8	0	0	113	K133 N139	K133-Q135 PolarHBondContact O-N 2.94Å; Q135-N139 PolarHBondContact NE2-ND2 2.91Å; Q135-N139 PolarHBondContact OE1-ND2 2.81Å
136	E	95.9	Very high	94.5	Very high	27 Å²	27	60.1 Å²	60.1	13%	0.126	28%	0.275	C	S	.	.	H	α-helix	trans	-84.1	-44.7	177.9	-179.1	58.4	-158.3	0	0	111.8	P105 T106 S107 K133 P134 R140	P105-E136 WeakPolarHBondContact CA-OE1 3.42Å; P105-E136 HydrophobicContact CB-CG 4.3Å; P105-E136 WeakPolarHBondContact CB-OE1 3.34Å; T106-E136 PolarHBondContact N-OE1 3.35Å; T106-E136 PolarHBondContact OG1-OE1 3.04Å; S107-E136 WeakPolarHBondContact CB-OE2 3.47Å; S107-E136 PolarHBondContact N-OE1 2.91Å; S107-E136 VanDerWaalsContact N-OE1 3.09Å; S107-E136 PolarHBondContact OG-OE2 3.04Å; K133-E136 HydrophobicContact CB-CB 4.31Å; K133-E136 PolarHBondContact O-N 3.26Å; K133-E136 VanDerWaalsContact O-N 3.08Å; P134-E136 VanDerWaalsContact C-N 3.26Å; P134-E136 PolarHBondContact O-N 2.88Å; E136-R140 VanDerWaalsContact O-CB 3.22Å; E136-R140 WeakPolarHBondContact O-CB 3.3Å
137	F	96.5	Very high	94.4	Very high	6 Å²	6	60 Å²	60	3%	0.026	27%	0.274	C	S	.	.	H	α-helix	trans	-107.2	-18	-165.2	-57.4	-59.6	0	0	0	115.4	D103 V130 K133 F146	D103-F137 HydrophobicContact CB-CE1 4.36Å; D103-F137 HydrophobicContact CB-CE2 4.01Å; D103-F137 HydrophobicContact CB-CZ 3.7Å; D103-F137 WeakPolarHBondContact O-CE1 3.46Å; D103-F137 VanDerWaalsContact O-CZ 3.24Å; D103-F137 WeakPolarHBondContact O-CZ 3.25Å; V130-F137 HydrophobicContact CB-CD2 4.49Å; V130-F137 HydrophobicContact CG1-CB 3.82Å; V130-F137 HydrophobicContact CG1-CD2 4.47Å; V130-F137 HydrophobicContact CG1-CG 4.28Å; V130-F137 WeakPolarHBondContact O-CD2 3.09Å; K133-F137 HydrophobicContact CB-CD2 3.76Å; K133-F137 HydrophobicContact CB-CE2 3.81Å; K133-F137 HydrophobicContact CD-CE2 4.14Å; K133-F137 HydrophobicContact CG-CE2 4.49Å; K133-F137 PolarHBondContact O-N 3.44Å; F137-F146 WeakPolarHBondContact O-CZ 3.47Å
138	V	94	Very high	94.4	Very high	9 Å²	9	60 Å²	60	6%	0.055	27%	0.274	C	S	.	.	T	Hydrogen-bonded Turn	trans	-115.7	-53.9	-176.1	-176.5	0	0	0	0	111.5	P134 F146 F173	P134-V138 HydrophobicContact CB-CB 4.22Å; P134-V138 HydrophobicContact CB-CG2 4.31Å; P134-V138 CarbonylContact O-C 3.48Å; P134-V138 WeakPolarHBondContact O-CA 3.32Å; P134-V138 WeakPolarHBondContact O-CB 3.45Å; P134-V138 PolarHBondContact O-N 3.37Å; V138-F146 HydrophobicContact CB-CZ 4.42Å; V138-F146 HydrophobicContact CG2-CZ 3.91Å; V138-F173 HydrophobicContact CG1-CB 3.99Å; V138-F173 HydrophobicContact CG1-CD1 3.86Å; V138-F173 HydrophobicContact CG1-CD2 4.19Å; V138-F173 HydrophobicContact CG1-CE1 4.46Å; V138-F173 HydrophobicContact CG1-CG 3.73Å
139	N	93.2	Very high	94.4	Very high	60 Å²	60	55.6 Å²	55.6	32%	0.321	26%	0.255	S	S	.	.	S	Bend	trans	-81.2	-21.2	-174.9	-63.5	-14	0	0	0	113.2	P134 Q135 T141 F173	P134-N139 PolarHBondContact O-N 2.82Å; Q135-N139 PolarHBondContact NE2-ND2 2.91Å; Q135-N139 PolarHBondContact OE1-ND2 2.81Å; N139-T141 PolarHBondContact O-N 3.01Å; N139-F173 WeakPolarHBondContact OD1-CD1 3.37Å; N139-F173 WeakPolarHBondContact OD1-CE1 3.39Å
140	R	91.9	Very high	94.2	Very high	109 Å²	109	50.5 Å²	50.5	41%	0.411	24%	0.237	S	C	.	.	S	Bend	trans	-59.9	-38.5	-178.6	-171.5	71.4	-179.1	111.1	-3.4	111.9	N115 E136	N115-R140 PolarHBondContact OD1-NH2 3.48Å; E136-R140 VanDerWaalsContact O-CB 3.22Å; E136-R140 WeakPolarHBondContact O-CB 3.3Å
141	T	90.2	Very high	93.8	Very high	26 Å²	26	50.9 Å²	50.9	16%	0.16	24%	0.24	C	C	.	.	S	Bend	trans	-136.8	83.5	-179.4	34.6	0	0	0	0	107.5	N139 E143 T144	N139-T141 PolarHBondContact O-N 3.01Å; T141-E143 PolarHBondContact O-N 2.89Å; T141-T144 WeakPolarHBondContact CB-OG1 3.49Å; T141-T144 VanDerWaalsContact O-CB 3.32Å; T141-T144 WeakPolarHBondContact O-CB 3.33Å; T141-T144 PolarHBondContact O-N 2.77Å; T141-T144 PolarHBondContact O-OG1 3.28Å; T141-T144 PolarHBondContact OG1-OG1 3.43Å
142	P	83.9	Confident	93.4	Very high	80 Å²	80	52.2 Å²	52.2	52%	0.519	25%	0.25	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.9	-22.4	-167.1	-27.8	35.7	0	0	0	115.7	T144	P142-T144 VanDerWaalsContact C-N 3.32Å
143	E	88.1	Confident	93	Very high	181 Å²	181	47.7 Å²	47.7	85%	0.846	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	-91.4	9.4	179.2	-59.5	-178.6	165.9	0	0	112.9	T141 V145	T141-E143 PolarHBondContact O-N 2.89Å; E143-V145 PolarHBondContact O-N 2.83Å
144	T	93.6	Very high	92.7	Very high	2 Å²	2	45.1 Å²	45.1	1%	0.012	23%	0.23	C	C	.	.	P	Polyproline II helix	trans	-60.7	128.3	178.5	-64.4	0	0	0	0	111.1	T117 R120 T141 P142 F146	T117-T144 HydrophobicContact CG2-CG2 4.02Å; T117-T144 PolarHBondContact O-OG1 2.83Å; R120-T144 HydrophobicContact CB-CG2 3.9Å; T141-T144 WeakPolarHBondContact CB-OG1 3.49Å; T141-T144 VanDerWaalsContact O-CB 3.32Å; T141-T144 WeakPolarHBondContact O-CB 3.33Å; T141-T144 PolarHBondContact O-N 2.77Å; T141-T144 PolarHBondContact O-OG1 3.28Å; T141-T144 PolarHBondContact OG1-OG1 3.43Å; P142-T144 VanDerWaalsContact C-N 3.32Å; T144-F146 HydrophobicContact CG2-CD2 4.13Å; T144-F146 HydrophobicContact CG2-CE1 4.36Å; T144-F146 HydrophobicContact CG2-CE2 3.79Å; T144-F146 HydrophobicContact CG2-CZ 3.93Å; T144-F146 WeakPolarHBondContact O-CD2 3.35Å
145	V	94.8	Very high	92.5	Very high	14 Å²	14	44.2 Å²	44.2	9%	0.085	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	122.9	170.2	177.7	0	0	0	0	109.7	L67 T118 F119 R120 E143 I147 E177 Y179	L67-V145 HydrophobicContact CD1-CG1 3.69Å; T118-V145 PolarHBondContact O-N 2.91Å; F119-V145 CarbonylContact C-O 3.55Å; F119-V145 WeakPolarHBondContact CA-O 3.46Å; F119-V145 HydrophobicContact CD1-CB 3.72Å; F119-V145 HydrophobicContact CD1-CG1 3.98Å; F119-V145 HydrophobicContact CD1-CG2 4.47Å; F119-V145 HydrophobicContact CE1-CB 3.99Å; F119-V145 HydrophobicContact CE1-CG1 4.17Å; F119-V145 HydrophobicContact CE1-CG2 4.29Å; R120-V145 PolarHBondContact N-O 3.04Å; E143-V145 PolarHBondContact O-N 2.83Å; V145-I147 HydrophobicContact CG1-CG1 4.49Å; V145-E177 HydrophobicContact CG2-CB 4.26Å; V145-Y179 HydrophobicContact CG1-CD2 3.71Å; V145-Y179 HydrophobicContact CG1-CE2 3.64Å
146	F	96.6	Very high	92.1	Very high	2 Å²	2	39.8 Å²	39.8	1%	0.009	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	129.6	179	-65.3	-98.7	0	0	0	111.3	R120 V122 V130 F137 V138 T144 F148 M176 E177 A178 Y179	R120-F146 HydrophobicContact CB-CD1 4.09Å; R120-F146 HydrophobicContact CB-CE1 4.27Å; R120-F146 HydrophobicContact CG-CD1 4.47Å; R120-F146 WeakPolarHBondContact O-CA 3.23Å; V122-F146 HydrophobicContact CG2-CD1 4.35Å; V130-F146 HydrophobicContact CG1-CE1 3.99Å; F137-F146 WeakPolarHBondContact O-CZ 3.47Å; V138-F146 HydrophobicContact CB-CZ 4.42Å; V138-F146 HydrophobicContact CG2-CZ 3.91Å; T144-F146 HydrophobicContact CG2-CD2 4.13Å; T144-F146 HydrophobicContact CG2-CE1 4.36Å; T144-F146 HydrophobicContact CG2-CE2 3.79Å; T144-F146 HydrophobicContact CG2-CZ 3.93Å; T144-F146 WeakPolarHBondContact O-CD2 3.35Å; F146-F148 HydrophobicContact CB-CD2 4.22Å; F146-F148 HydrophobicContact CB-CE2 3.5Å; F146-F148 VanDerWaalsContact CB-CE2 3.5Å; F146-F148 HydrophobicContact CB-CZ 3.9Å; F146-F148 HydrophobicContact CD1-CZ 4.24Å; F146-F148 HydrophobicContact CG-CE2 4.35Å; F146-F148 HydrophobicContact CG-CZ 4.34Å; F146-M176 HydrophobicContact CB-CE 4.11Å; F146-M176 HydrophobicContact CD1-CE 4.16Å; F146-M176 HydrophobicContact CD2-CE 3.57Å; F146-M176 HydrophobicContact CD2-CG 3.79Å; F146-M176 HydrophobicContact CD2-SD 4.5Å; F146-M176 HydrophobicContact CE1-CE 4.47Å; F146-M176 HydrophobicContact CE2-CE 3.96Å; F146-M176 HydrophobicContact CE2-CG 3.88Å; F146-M176 HydrophobicContact CG-CE 3.67Å; F146-M176 HydrophobicContact CZ-CE 4.38Å; F146-E177 PolarHBondContact N-O 3.23Å; F146-A178 HydrophobicContact CB-CB 4.47Å; F146-A178 WeakPolarHBondContact O-CA 3.23Å; F146-Y179 PolarHBondContact O-N 3.33Å
147	I	96.8	Very high	91.3	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	107.5	175.8	-54.6	171.2	0	0	0	108.3	Y58 L67 F119 R120 V121 V122 V145 V181 I217 L221	Y58-I147 HydrophobicContact CD1-CG2 4.18Å; Y58-I147 HydrophobicContact CE1-CG2 4.21Å; L67-I147 HydrophobicContact CD1-CD1 4.06Å; L67-I147 HydrophobicContact CD1-CG1 4.13Å; L67-I147 HydrophobicContact CD2-CD1 3.87Å; L67-I147 HydrophobicContact CD2-CG1 4.5Å; F119-I147 HydrophobicContact CD1-CD1 4.27Å; R120-I147 PolarHBondContact O-N 3.44Å; V121-I147 CarbonylContact C-O 3.58Å; V121-I147 WeakPolarHBondContact CA-O 3.17Å; V122-I147 PolarHBondContact N-O 3.24Å; V145-I147 HydrophobicContact CG1-CG1 4.49Å; I147-V181 HydrophobicContact CG2-CG2 4.05Å; I147-I217 HydrophobicContact CD1-CG2 3.86Å; I147-I217 HydrophobicContact CG2-CD1 4.05Å; I147-L221 HydrophobicContact CD1-CD1 4.23Å
148	F	97.3	Very high	89.9	Confident	0 Å²	0	48.7 Å²	48.7	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	138	-178.5	-63.8	-84.5	0	0	0	111.3	I61 V122 V127 F146 M155 I166 M176 A178 Y179 A180 V181	I61-F148 HydrophobicContact CD1-CB 4.47Å; I61-F148 HydrophobicContact CD1-CD2 3.92Å; V122-F148 HydrophobicContact CB-CD1 3.64Å; V122-F148 HydrophobicContact CB-CE1 3.77Å; V122-F148 HydrophobicContact CG1-CD1 3.86Å; V122-F148 HydrophobicContact CG1-CE1 3.8Å; V122-F148 HydrophobicContact CG2-CD1 4.45Å; V122-F148 HydrophobicContact CG2-CE1 4.17Å; V122-F148 CarbonylContact O-C 3.55Å; V122-F148 VanDerWaalsContact O-CA 3.29Å; V122-F148 WeakPolarHBondContact O-CA 3.4Å; V127-F148 HydrophobicContact CG1-CE1 4.49Å; V127-F148 HydrophobicContact CG2-CD1 3.73Å; V127-F148 HydrophobicContact CG2-CE1 3.98Å; F146-F148 HydrophobicContact CB-CD2 4.22Å; F146-F148 HydrophobicContact CB-CE2 3.5Å; F146-F148 VanDerWaalsContact CB-CE2 3.5Å; F146-F148 HydrophobicContact CB-CZ 3.9Å; F146-F148 HydrophobicContact CD1-CZ 4.24Å; F146-F148 HydrophobicContact CG-CE2 4.35Å; F146-F148 HydrophobicContact CG-CZ 4.34Å; F148-M155 HydrophobicContact CB-CE 3.98Å; F148-I166 HydrophobicContact CB-CD1 4.2Å; F148-I166 HydrophobicContact CD1-CD1 3.76Å; F148-I166 HydrophobicContact CD1-CG1 4.4Å; F148-I166 HydrophobicContact CD2-CD1 3.74Å; F148-I166 HydrophobicContact CD2-CG1 4.37Å; F148-I166 HydrophobicContact CD2-CG2 4.21Å; F148-I166 HydrophobicContact CE1-CD1 4Å; F148-I166 HydrophobicContact CE1-CG1 4.13Å; F148-I166 HydrophobicContact CE2-CD1 3.98Å; F148-I166 HydrophobicContact CE2-CG1 4.1Å; F148-I166 HydrophobicContact CE2-CG2 3.68Å; F148-I166 HydrophobicContact CG-CD1 3.61Å; F148-I166 HydrophobicContact CZ-CD1 4.11Å; F148-I166 HydrophobicContact CZ-CG1 3.98Å; F148-I166 HydrophobicContact CZ-CG2 4.16Å; F148-M176 HydrophobicContact CE2-CE 4.1Å; F148-M176 HydrophobicContact CZ-CE 3.98Å; F148-A178 HydrophobicContact CD2-CB 4.39Å; F148-A178 HydrophobicContact CE2-CB 3.91Å; F148-Y179 WeakPolarHBondContact CD2-O 3.49Å; F148-Y179 PolarHBondContact N-O 3.26Å; F148-A180 HydrophobicContact CB-CB 4.27Å; F148-A180 CarbonylContact O-C 3.46Å; F148-A180 WeakPolarHBondContact O-CA 3.45Å; F148-A180 WeakPolarHBondContact O-CB 3.3Å; F148-V181 PolarHBondContact O-N 2.89Å
149	W	95.8	Very high	88.4	Confident	10 Å²	10	56.6 Å²	56.6	4%	0.038	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134	149.8	176.7	77.3	-92	0	0	0	112	V122 A123 H124 V181 M186 L208 T210 F213	V122-W149 PolarHBondContact O-N 2.67Å; A123-W149 CarbonylContact C-O 3.55Å; A123-W149 WeakPolarHBondContact CA-O 3.19Å; A123-W149 HydrophobicContact CB-CD2 4.44Å; A123-W149 HydrophobicContact CB-CZ2 3.67Å; H124-W149 PolarHBondContact N-O 2.87Å; W149-V181 HydrophobicContact CB-CB 4.21Å; W149-V181 HydrophobicContact CB-CG2 3.75Å; W149-M186 HydrophobicContact CB-SD 4.13Å; W149-M186 HydrophobicContact CE3-CE 3.73Å; W149-M186 HydrophobicContact CE3-SD 4.08Å; W149-M186 HydrophobicContact CZ3-CE 4.13Å; W149-L208 VanDerWaalsContact CH2-O 3.23Å; W149-L208 WeakPolarHBondContact CH2-O 3.41Å; W149-T210 PolarHBondContact NE1-OG1 3.04Å; W149-F213 HydrophobicContact CB-CD1 4.17Å; W149-F213 HydrophobicContact CD2-CB 4.49Å; W149-F213 AromaticContact CD2-CD1 3.98Å; W149-F213 HydrophobicContact CD2-CD1 3.98Å; W149-F213 AromaticContact CD2-CD2 3.69Å; W149-F213 HydrophobicContact CD2-CD2 3.69Å; W149-F213 HydrophobicContact CD2-CE1 4.21Å; W149-F213 AromaticContact CD2-CE2 3.89Å; W149-F213 HydrophobicContact CD2-CE2 3.89Å; W149-F213 AromaticContact CD2-CG 3.77Å; W149-F213 HydrophobicContact CD2-CG 3.77Å; W149-F213 HydrophobicContact CD2-CZ 4.19Å; W149-F213 AromaticContact CE2-CD2 3.62Å; W149-F213 AromaticContact CE2-CG 3.94Å; W149-F213 HydrophobicContact CE3-CD1 4.13Å; W149-F213 AromaticContact CE3-CD2 3.78Å; W149-F213 HydrophobicContact CE3-CD2 3.78Å; W149-F213 AromaticContact CE3-CE1 3.88Å; W149-F213 HydrophobicContact CE3-CE1 3.88Å; W149-F213 AromaticContact CE3-CE2 3.46Å; W149-F213 HydrophobicContact CE3-CE2 3.46Å; W149-F213 VanDerWaalsContact CE3-CE2 3.46Å; W149-F213 HydrophobicContact CE3-CG 4.14Å; W149-F213 AromaticContact CE3-CZ 3.56Å; W149-F213 HydrophobicContact CE3-CZ 3.56Å; W149-F213 HydrophobicContact CG-CB 4.38Å; W149-F213 HydrophobicContact CG-CD1 4.01Å; W149-F213 HydrophobicContact CG-CD2 4.38Å; W149-F213 AromaticContact CG-CG 3.99Å; W149-F213 HydrophobicContact CG-CG 3.99Å; W149-F213 AromaticContact CH2-CD2 3.77Å; W149-F213 HydrophobicContact CH2-CD2 3.77Å; W149-F213 AromaticContact CH2-CE2 3.52Å; W149-F213 HydrophobicContact CH2-CE2 3.52Å; W149-F213 HydrophobicContact CH2-CZ 4.37Å; W149-F213 AromaticContact CZ2-CD2 3.68Å; W149-F213 HydrophobicContact CZ2-CD2 3.68Å; W149-F213 AromaticContact CZ2-CE2 3.95Å; W149-F213 HydrophobicContact CZ2-CE2 3.95Å; W149-F213 HydrophobicContact CZ2-CG 4.45Å; W149-F213 AromaticContact CZ3-CD2 3.83Å; W149-F213 HydrophobicContact CZ3-CD2 3.83Å; W149-F213 HydrophobicContact CZ3-CE1 4.43Å; W149-F213 AromaticContact CZ3-CE2 3.26Å; W149-F213 HydrophobicContact CZ3-CE2 3.26Å; W149-F213 AromaticContact CZ3-CZ 3.66Å; W149-F213 HydrophobicContact CZ3-CZ 3.66Å
150	G	92.9	Very high	87.3	Confident	6 Å²	6	55.9 Å²	55.9	6%	0.062	30%	0.296	C	S	.	.			trans	162.9	160.4	175.2	0	0	0	0	0	112.1	M155	G150-M155 WeakPolarHBondContact O-CG 3.47Å
151	P	89.4	Confident	87.1	Confident	9 Å²	9	51.5 Å²	51.5	6%	0.058	28%	0.282	C	S	.	.			trans	-65.9	149.7	-177.9	27.9	-35.1	0	0	0	111.3	N153 K154 M155 W207	P151-N153 VanDerWaalsContact C-N 3.28Å; P151-N153 WeakPolarHBondContact CB-OD1 3.41Å; P151-N153 PolarHBondContact O-N 3.18Å; P151-K154 HydrophobicContact CG-CB 3.97Å; P151-K154 HydrophobicContact CG-CG 3.55Å; P151-K154 PolarHBondContact O-N 3.24Å; P151-M155 PolarHBondContact O-N 2.69Å; P151-W207 HydrophobicContact CB-CH2 3.82Å; P151-W207 HydrophobicContact CB-CZ3 4.1Å; P151-W207 HydrophobicContact CG-CH2 3.82Å; P151-W207 HydrophobicContact CG-CZ2 4.15Å; P151-W207 HydrophobicContact CG-CZ3 4.14Å
152	P	87.9	Confident	87.2	Confident	52 Å²	52	50.9 Å²	50.9	34%	0.338	28%	0.278	S	S	.	.	H	α-helix	trans	-49.1	-45.3	-176.7	-33.2	37.9	0	0	0	114.3	W52 K154 M155 Q156 P183	W52-P152 HydrophobicContact CH2-CB 3.71Å; W52-P152 HydrophobicContact CH2-CG 4.46Å; W52-P152 HydrophobicContact CZ2-CB 3.83Å; W52-P152 HydrophobicContact CZ2-CG 4.14Å; P152-K154 PolarHBondContact O-N 2.9Å; P152-M155 PolarHBondContact O-N 2.79Å; P152-Q156 PolarHBondContact O-N 3.27Å; P152-P183 HydrophobicContact CG-CB 3.97Å; P152-P183 HydrophobicContact CG-CG 3.89Å
153	N	87.3	Confident	87.6	Confident	103 Å²	103	47.6 Å²	47.6	55%	0.551	26%	0.256	S	S	*	.	H	α-helix	trans	-67.6	-13.5	179.7	66.1	-14.1	0	0	0	114.2	P151 K157	P151-N153 VanDerWaalsContact C-N 3.28Å; P151-N153 WeakPolarHBondContact CB-OD1 3.41Å; P151-N153 PolarHBondContact O-N 3.18Å; N153-K157 WeakPolarHBondContact O-CG 3.49Å
154	K	90.4	Very high	87.8	Confident	83 Å²	83	46.5 Å²	46.5	36%	0.361	24%	0.244	S	C	.	.	H	α-helix	trans	-100.7	-33.3	173.1	-59.1	-67.3	-177	178.9	0	111.9	H124 P151 P152 L162	H124-K154 HydrophobicContact CB-CB 4.45Å; H124-K154 VanDerWaalsContact CD2-CB 3.43Å; H124-K154 WeakPolarHBondContact CD2-CB 3.48Å; P151-K154 HydrophobicContact CG-CB 3.97Å; P151-K154 HydrophobicContact CG-CG 3.55Å; P151-K154 PolarHBondContact O-N 3.24Å; P152-K154 PolarHBondContact O-N 2.9Å; K154-L162 WeakPolarHBondContact O-CD1 3.38Å
155	M	90.9	Very high	87.8	Confident	10 Å²	10	48.2 Å²	48.2	5%	0.049	25%	0.254	C	S	.	.	H	α-helix	trans	-76.3	-36.5	177.9	-67.3	-62.4	-76.2	0	0	112.7	H124 F148 G150 P151 P152 S161 L162 L163 I166 A180	H124-M155 HydrophobicContact CB-CG 4.49Å; H124-M155 HydrophobicContact CB-SD 3.57Å; H124-M155 VanDerWaalsContact CB-SD 3.57Å; F148-M155 HydrophobicContact CB-CE 3.98Å; G150-M155 WeakPolarHBondContact O-CG 3.47Å; P151-M155 PolarHBondContact O-N 2.69Å; P152-M155 PolarHBondContact O-N 2.79Å; M155-S161 PolarHBondContact O-OG 3.45Å; M155-L162 PolarHBondContact O-N 3.47Å; M155-L162 HydrophobicContact SD-CB 4.42Å; M155-L162 HydrophobicContact SD-CD1 3.98Å; M155-L163 HydrophobicContact CE-CD2 3.85Å; M155-I166 HydrophobicContact CE-CD1 4.5Å; M155-A180 HydrophobicContact CE-CB 4.29Å
156	Q	86.9	Confident	87.8	Confident	47 Å²	47	47.6 Å²	47.6	22%	0.22	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	69.6	-175.8	-60.8	-171	39.8	0	0	111.3	W52 P152 L163	W52-Q156 VanDerWaalsContact CE2-NE2 3.31Å; W52-Q156 HydrophobicContact CH2-CB 4.29Å; W52-Q156 HydrophobicContact CH2-CG 4.04Å; W52-Q156 HydrophobicContact CZ2-CG 4.49Å; W52-Q156 VanDerWaalsContact CZ3-CD 3.43Å; P152-Q156 PolarHBondContact O-N 3.27Å; Q156-L163 HydrophobicContact CG-CD1 3.56Å; Q156-L163 HydrophobicContact CG-CG 4.08Å; Q156-L163 VanDerWaalsContact NE2-CD1 3.29Å
157	K	79.9	Confident	87.6	Confident	99 Å²	99	51 Å²	51	43%	0.43	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	147.4	173.9	-67	179.3	-179.9	-176.1	0	111.8	N153 Q159 G160	N153-K157 WeakPolarHBondContact O-CG 3.49Å; K157-Q159 VanDerWaalsContact C-N 3.29Å; K157-Q159 PolarHBondContact O-N 3.33Å; K157-G160 WeakPolarHBondContact CB-O 3.41Å; K157-G160 CarbonylContact O-C 3.54Å; K157-G160 PolarHBondContact O-N 2.83Å
158	P	67.1	Low	87.4	Confident	121 Å²	121	57 Å²	57	79%	0.786	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58	-39	174.5	-22.1	31.6	0	0	0	113.3
159	Q	60.6	Low	87.2	Confident	175 Å²	175	57.6 Å²	57.6	82%	0.818	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.1	1.6	-176.5	-58.4	77.5	14.6	0	0	114	K157	K157-Q159 VanDerWaalsContact C-N 3.29Å; K157-Q159 PolarHBondContact O-N 3.33Å
160	G	71.3	Confident	87	Confident	45 Å²	45	57.2 Å²	57.2	46%	0.464	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	163.5	105.1	-178	0	0	0	0	0	112.8	K157	K157-G160 WeakPolarHBondContact CB-O 3.41Å; K157-G160 CarbonylContact O-C 3.54Å; K157-G160 PolarHBondContact O-N 2.83Å
161	S	88	Confident	86.9	Confident	16 Å²	16	62.7 Å²	62.7	11%	0.112	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	126.1	-179.5	170.8	0	0	0	0	111.2	M155 L163 R164 V165	M155-S161 PolarHBondContact O-OG 3.45Å; S161-L163 PolarHBondContact O-N 2.57Å; S161-L163 WeakPolarHBondContact OG-CB 3.5Å; S161-L163 PolarHBondContact OG-N 2.85Å; S161-R164 WeakPolarHBondContact O-CB 3.17Å; S161-R164 PolarHBondContact O-N 3.48Å; S161-R164 PolarHBondContact OG-N 3.44Å; S161-V165 PolarHBondContact O-N 2.87Å
162	L	92.6	Very high	87	Confident	14 Å²	14	68.9 Å²	68.9	7%	0.073	35%	0.35	C	S	.	.	H	α-helix	trans	-61.3	-31.7	171.8	-68.4	179	0	0	0	111	H124 V127 F128 K154 M155 R164 V165 I166	H124-L162 HydrophobicContact CB-CD1 3.67Å; H124-L162 WeakPolarHBondContact O-CD1 3.41Å; V127-L162 HydrophobicContact CB-CD2 4.28Å; V127-L162 HydrophobicContact CG1-CD2 4.23Å; V127-L162 HydrophobicContact CG2-CD1 4.24Å; F128-L162 HydrophobicContact CD2-CD2 4.25Å; F128-L162 HydrophobicContact CE2-CD2 3.57Å; F128-L162 HydrophobicContact CZ-CD2 3.95Å; K154-L162 WeakPolarHBondContact O-CD1 3.38Å; M155-L162 PolarHBondContact O-N 3.47Å; M155-L162 HydrophobicContact SD-CB 4.42Å; M155-L162 HydrophobicContact SD-CD1 3.98Å; L162-R164 VanDerWaalsContact C-N 3.3Å; L162-R164 PolarHBondContact O-N 2.93Å; L162-V165 WeakPolarHBondContact O-CB 3.2Å; L162-V165 PolarHBondContact O-N 2.85Å; L162-V165 VanDerWaalsContact O-N 3.13Å; L162-I166 WeakPolarHBondContact O-CD1 3.36Å; L162-I166 VanDerWaalsContact O-CG1 3.29Å; L162-I166 WeakPolarHBondContact O-CG1 3.33Å; L162-I166 PolarHBondContact O-N 3.15Å
163	L	91.6	Very high	87.1	Confident	11 Å²	11	68.6 Å²	68.6	6%	0.058	34%	0.343	C	S	.	.	H	α-helix	trans	-59.8	-41.7	173	-59.7	-175.4	0	0	0	111.6	F59 I61 M155 Q156 S161 V165 I166 Q167 A180	F59-L163 HydrophobicContact CE2-CD1 4.06Å; F59-L163 HydrophobicContact CE2-CD2 3.98Å; F59-L163 HydrophobicContact CZ-CD1 4.16Å; F59-L163 HydrophobicContact CZ-CD2 3.97Å; I61-L163 HydrophobicContact CD1-CD2 3.72Å; I61-L163 HydrophobicContact CG1-CD2 4.09Å; M155-L163 HydrophobicContact CE-CD2 3.85Å; Q156-L163 HydrophobicContact CG-CD1 3.56Å; Q156-L163 HydrophobicContact CG-CG 4.08Å; Q156-L163 VanDerWaalsContact NE2-CD1 3.29Å; S161-L163 PolarHBondContact O-N 2.57Å; S161-L163 WeakPolarHBondContact OG-CB 3.5Å; S161-L163 PolarHBondContact OG-N 2.85Å; L163-V165 VanDerWaalsContact C-N 3.31Å; L163-V165 PolarHBondContact O-N 2.62Å; L163-I166 PolarHBondContact O-N 3.32Å; L163-Q167 WeakPolarHBondContact O-CB 3.49Å; L163-Q167 WeakPolarHBondContact O-CG 3.43Å; L163-Q167 PolarHBondContact O-N 3.35Å; L163-A180 HydrophobicContact CD2-CB 4.44Å
164	R	92.1	Very high	87.1	Confident	158 Å²	158	68.1 Å²	68.1	60%	0.596	35%	0.346	S	S	*	.	H	α-helix	trans	-65.4	-35.9	175.7	-69	-178	-175.5	179.9	1.5	111.9	S161 L162 Q167 R168	S161-R164 WeakPolarHBondContact O-CB 3.17Å; S161-R164 PolarHBondContact O-N 3.48Å; S161-R164 PolarHBondContact OG-N 3.44Å; L162-R164 VanDerWaalsContact C-N 3.3Å; L162-R164 PolarHBondContact O-N 2.93Å; R164-Q167 PolarHBondContact O-N 2.97Å; R164-R168 VanDerWaalsContact O-CG 3.28Å; R164-R168 WeakPolarHBondContact O-CG 3.25Å; R164-R168 PolarHBondContact O-N 3.17Å
165	V	93.8	Very high	86.9	Confident	38 Å²	38	70.1 Å²	70.1	23%	0.23	36%	0.361	C	S	.	.	H	α-helix	trans	-63.7	-48	175.2	177.4	0	0	0	0	110.5	F128 L131 S161 L162 L163 Q167 R168 A169	F128-V165 HydrophobicContact CD1-CG1 4.43Å; F128-V165 HydrophobicContact CE1-CG1 3.94Å; F128-V165 HydrophobicContact CE1-CG2 4.07Å; F128-V165 HydrophobicContact CZ-CG2 4.11Å; L131-V165 HydrophobicContact CD1-CG1 3.98Å; S161-V165 PolarHBondContact O-N 2.87Å; L162-V165 WeakPolarHBondContact O-CB 3.2Å; L162-V165 PolarHBondContact O-N 2.85Å; L162-V165 VanDerWaalsContact O-N 3.13Å; L163-V165 VanDerWaalsContact C-N 3.31Å; L163-V165 PolarHBondContact O-N 2.62Å; V165-Q167 VanDerWaalsContact C-N 3.34Å; V165-Q167 PolarHBondContact O-N 2.87Å; V165-R168 PolarHBondContact O-N 3.47Å; V165-A169 PolarHBondContact O-N 2.83Å
166	I	94.6	Very high	86.8	Confident	0 Å²	0	70.1 Å²	70.1	0%	0	36%	0.361	C	S	.	.	H	α-helix	trans	-63	-41.8	177.8	-62.7	158.3	0	0	0	110.6	I61 V127 L131 F148 M155 L162 L163 R168 A169 G170 A178	I61-I166 HydrophobicContact CB-CG2 4.33Å; I61-I166 HydrophobicContact CD1-CB 4.43Å; I61-I166 HydrophobicContact CD1-CD1 3.81Å; I61-I166 HydrophobicContact CD1-CG2 3.98Å; I61-I166 HydrophobicContact CG2-CB 4.13Å; I61-I166 HydrophobicContact CG2-CG2 3.74Å; V127-I166 HydrophobicContact CG1-CD1 4.42Å; V127-I166 HydrophobicContact CG1-CG1 4.04Å; L131-I166 HydrophobicContact CD1-CG1 4.21Å; F148-I166 HydrophobicContact CB-CD1 4.2Å; F148-I166 HydrophobicContact CD1-CD1 3.76Å; F148-I166 HydrophobicContact CD1-CG1 4.4Å; F148-I166 HydrophobicContact CD2-CD1 3.74Å; F148-I166 HydrophobicContact CD2-CG1 4.37Å; F148-I166 HydrophobicContact CD2-CG2 4.21Å; F148-I166 HydrophobicContact CE1-CD1 4Å; F148-I166 HydrophobicContact CE1-CG1 4.13Å; F148-I166 HydrophobicContact CE2-CD1 3.98Å; F148-I166 HydrophobicContact CE2-CG1 4.1Å; F148-I166 HydrophobicContact CE2-CG2 3.68Å; F148-I166 HydrophobicContact CG-CD1 3.61Å; F148-I166 HydrophobicContact CZ-CD1 4.11Å; F148-I166 HydrophobicContact CZ-CG1 3.98Å; F148-I166 HydrophobicContact CZ-CG2 4.16Å; M155-I166 HydrophobicContact CE-CD1 4.5Å; L162-I166 WeakPolarHBondContact O-CD1 3.36Å; L162-I166 VanDerWaalsContact O-CG1 3.29Å; L162-I166 WeakPolarHBondContact O-CG1 3.33Å; L162-I166 PolarHBondContact O-N 3.15Å; L163-I166 PolarHBondContact O-N 3.32Å; I166-R168 VanDerWaalsContact C-N 3.34Å; I166-R168 PolarHBondContact O-N 3.09Å; I166-A169 WeakPolarHBondContact O-CB 3.39Å; I166-A169 PolarHBondContact O-N 3.27Å; I166-G170 PolarHBondContact O-N 3Å; I166-A178 HydrophobicContact CG2-CB 3.88Å
167	Q	92.9	Very high	87	Confident	74 Å²	74	70.6 Å²	70.6	35%	0.346	36%	0.363	S	S	.	.	H	α-helix	trans	-59.3	-43.8	175.3	-76.7	172.6	-26.5	0	0	112.3	I61 L163 R164 V165 G170 L171	I61-Q167 HydrophobicContact CG2-CG 3.7Å; L163-Q167 WeakPolarHBondContact O-CB 3.49Å; L163-Q167 WeakPolarHBondContact O-CG 3.43Å; L163-Q167 PolarHBondContact O-N 3.35Å; R164-Q167 PolarHBondContact O-N 2.97Å; V165-Q167 VanDerWaalsContact C-N 3.34Å; V165-Q167 PolarHBondContact O-N 2.87Å; Q167-G170 PolarHBondContact O-N 2.93Å; Q167-L171 PolarHBondContact O-N 2.84Å
168	R	92.7	Very high	87.7	Confident	127 Å²	127	65.9 Å²	65.9	48%	0.479	34%	0.342	S	S	.	.	H	α-helix	trans	-64.6	-40.5	176	-73.6	171.8	-176.2	172.9	-5.3	111.8	Y36 R164 V165 I166 G170 L171 M172	Y36-R168 PolarHBondContact OH-NE 3.29Å; Y36-R168 PolarHBondContact OH-NH1 3.38Å; Y36-R168 PolarHBondContact OH-NH2 3.16Å; Y36-R168 VanDerWaalsContact OH-NH2 3.14Å; R164-R168 VanDerWaalsContact O-CG 3.28Å; R164-R168 WeakPolarHBondContact O-CG 3.25Å; R164-R168 PolarHBondContact O-N 3.17Å; V165-R168 PolarHBondContact O-N 3.47Å; I166-R168 VanDerWaalsContact C-N 3.34Å; I166-R168 PolarHBondContact O-N 3.09Å; R168-G170 VanDerWaalsContact C-N 3.29Å; R168-G170 PolarHBondContact O-N 2.81Å; R168-L171 WeakPolarHBondContact O-CB 3.31Å; R168-L171 PolarHBondContact O-N 2.84Å; R168-L171 VanDerWaalsContact O-N 3.09Å; R168-M172 PolarHBondContact O-N 3.25Å
169	A	92.9	Very high	89	Confident	11 Å²	11	60.1 Å²	60.1	9%	0.091	31%	0.305	C	S	.	.	H	α-helix	trans	-59.1	-42.8	173.3	0	0	0	0	0	111.3	L131 V165 I166 L171 M172 F173 M176	L131-A169 HydrophobicContact CD1-CB 4.01Å; L131-A169 HydrophobicContact CD2-CB 3.95Å; V165-A169 PolarHBondContact O-N 2.83Å; I166-A169 WeakPolarHBondContact O-CB 3.39Å; I166-A169 PolarHBondContact O-N 3.27Å; A169-L171 PolarHBondContact O-N 2.9Å; A169-M172 WeakPolarHBondContact O-CA 3.49Å; A169-M172 WeakPolarHBondContact O-CB 3.3Å; A169-M172 PolarHBondContact O-N 2.94Å; A169-F173 HydrophobicContact CB-CD2 4.47Å; A169-F173 VanDerWaalsContact O-CD2 3.23Å; A169-F173 WeakPolarHBondContact O-CD2 3.1Å; A169-F173 PolarHBondContact O-N 2.99Å; A169-M176 HydrophobicContact CB-SD 4.46Å
170	G	91.2	Very high	90.5	Very high	2 Å²	2	51.9 Å²	51.9	2%	0.021	27%	0.266	C	S	.	.	H	α-helix	trans	-65.8	-13.5	175.4	0	0	0	0	0	115.9	L62 I166 Q167 R168	L62-G170 VanDerWaalsContact CD1-CA 3.46Å; I166-G170 PolarHBondContact O-N 3Å; Q167-G170 PolarHBondContact O-N 2.93Å; R168-G170 VanDerWaalsContact C-N 3.29Å; R168-G170 PolarHBondContact O-N 2.81Å
171	L	90.6	Very high	91.6	Very high	121 Å²	121	50 Å²	50	63%	0.634	25%	0.246	S	C	*	.	H	α-helix	trans	-77.6	-31.1	168.1	-61.9	176	0	0	0	111.6	Q167 R168 A169	Q167-L171 PolarHBondContact O-N 2.84Å; R168-L171 WeakPolarHBondContact O-CB 3.31Å; R168-L171 PolarHBondContact O-N 2.84Å; R168-L171 VanDerWaalsContact O-N 3.09Å; A169-L171 PolarHBondContact O-N 2.9Å
172	M	90.8	Very high	91.7	Very high	140 Å²	140	49.7 Å²	49.7	69%	0.69	24%	0.244	S	C	*	.	H	α-helix	trans	-84.7	-30.4	177.9	-59.7	-57	-62.3	0	0	112.3	R168 A169 P174	R168-M172 PolarHBondContact O-N 3.25Å; A169-M172 WeakPolarHBondContact O-CA 3.49Å; A169-M172 WeakPolarHBondContact O-CB 3.3Å; A169-M172 PolarHBondContact O-N 2.94Å; M172-P174 WeakPolarHBondContact O-CD 3.41Å
173	F	91.3	Very high	91.5	Very high	45 Å²	45	51 Å²	51	20%	0.197	25%	0.253	C	S	.	.			trans	-119.2	81.9	-179.1	-54.5	-71.9	0	0	0	109.3	P134 V138 N139 A169 N175 M176	P134-F173 HydrophobicContact CB-CE1 3.79Å; P134-F173 HydrophobicContact CB-CE2 4Å; P134-F173 HydrophobicContact CB-CZ 3.29Å; P134-F173 HydrophobicContact CG-CZ 3.87Å; V138-F173 HydrophobicContact CG1-CB 3.99Å; V138-F173 HydrophobicContact CG1-CD1 3.86Å; V138-F173 HydrophobicContact CG1-CD2 4.19Å; V138-F173 HydrophobicContact CG1-CE1 4.46Å; V138-F173 HydrophobicContact CG1-CG 3.73Å; N139-F173 WeakPolarHBondContact OD1-CD1 3.37Å; N139-F173 WeakPolarHBondContact OD1-CE1 3.39Å; A169-F173 HydrophobicContact CB-CD2 4.47Å; A169-F173 VanDerWaalsContact O-CD2 3.23Å; A169-F173 WeakPolarHBondContact O-CD2 3.1Å; A169-F173 PolarHBondContact O-N 2.99Å; F173-N175 PolarHBondContact O-N 3.16Å; F173-N175 VanDerWaalsContact O-N 3.16Å; F173-M176 HydrophobicContact CB-CB 3.9Å; F173-M176 WeakPolarHBondContact O-CB 3.45Å; F173-M176 PolarHBondContact O-N 3.42Å
174	P	86.1	Confident	91.3	Very high	93 Å²	93	53.2 Å²	53.2	60%	0.604	27%	0.273	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66	-20.4	-169.7	25.2	-34.8	0	0	0	114.3	M172	M172-P174 WeakPolarHBondContact O-CD 3.41Å
175	N	86.6	Confident	91.1	Very high	126 Å²	126	48.6 Å²	48.6	67%	0.674	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.4	-5.6	176.3	-61.6	-16.5	0	0	0	113	F173 E177	F173-N175 PolarHBondContact O-N 3.16Å; F173-N175 VanDerWaalsContact O-N 3.16Å; N175-E177 PolarHBondContact O-N 2.99Å
176	M	88.9	Confident	90.9	Very high	10 Å²	10	47.4 Å²	47.4	5%	0.049	25%	0.248	C	C	.	.			trans	-69.1	117.9	178.8	-175.8	-173	178	0	0	110.2	L62 L131 F146 F148 A169 F173 A178	L62-M176 HydrophobicContact CD1-CB 4.26Å; L62-M176 HydrophobicContact CD1-CG 4.11Å; L62-M176 WeakPolarHBondContact CD1-O 3.42Å; L62-M176 HydrophobicContact CD1-SD 4.08Å; L131-M176 HydrophobicContact CD2-CE 4Å; F146-M176 HydrophobicContact CB-CE 4.11Å; F146-M176 HydrophobicContact CD1-CE 4.16Å; F146-M176 HydrophobicContact CD2-CE 3.57Å; F146-M176 HydrophobicContact CD2-CG 3.79Å; F146-M176 HydrophobicContact CD2-SD 4.5Å; F146-M176 HydrophobicContact CE1-CE 4.47Å; F146-M176 HydrophobicContact CE2-CE 3.96Å; F146-M176 HydrophobicContact CE2-CG 3.88Å; F146-M176 HydrophobicContact CG-CE 3.67Å; F146-M176 HydrophobicContact CZ-CE 4.38Å; F148-M176 HydrophobicContact CE2-CE 4.1Å; F148-M176 HydrophobicContact CZ-CE 3.98Å; A169-M176 HydrophobicContact CB-SD 4.46Å; F173-M176 HydrophobicContact CB-CB 3.9Å; F173-M176 WeakPolarHBondContact O-CB 3.45Å; F173-M176 PolarHBondContact O-N 3.42Å; M176-A178 HydrophobicContact CE-CB 4.26Å
177	E	91.9	Very high	90.6	Very high	56 Å²	56	53.3 Å²	53.3	26%	0.262	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	130.2	167.6	-64.4	-156.6	-168.9	0	0	110	V145 F146 N175 Y179	V145-E177 HydrophobicContact CG2-CB 4.26Å; F146-E177 PolarHBondContact N-O 3.23Å; N175-E177 PolarHBondContact O-N 2.99Å; E177-Y179 HydrophobicContact CB-CE2 4.1Å; E177-Y179 PolarHBondContact OE2-OH 2.72Å
178	A	93.6	Very high	90.3	Very high	0 Å²	0	54.4 Å²	54.4	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	130.5	-176.9	0	0	0	0	0	111.9	I61 L62 F146 F148 I166 M176	I61-A178 HydrophobicContact CB-CB 4.24Å; I61-A178 PolarHBondContact N-O 3.33Å; L62-A178 HydrophobicContact CB-CB 4.15Å; L62-A178 HydrophobicContact CD1-CB 3.67Å; L62-A178 HydrophobicContact CG-CB 3.87Å; L62-A178 PolarHBondContact N-O 3.31Å; L62-A178 VanDerWaalsContact N-O 3.14Å; F146-A178 HydrophobicContact CB-CB 4.47Å; F146-A178 WeakPolarHBondContact O-CA 3.23Å; F148-A178 HydrophobicContact CD2-CB 4.39Å; F148-A178 HydrophobicContact CE2-CB 3.91Å; I166-A178 HydrophobicContact CG2-CB 3.88Å; M176-A178 HydrophobicContact CE-CB 4.26Å
179	Y	94.4	Very high	90.1	Very high	1 Å²	1	48.5 Å²	48.5	0%	0.004	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	156.7	178.4	-57.4	-92.9	0	0	0	109.3	F59 P60 K65 L67 P68 V145 F146 F148 E177	F59-Y179 CarbonylContact O-C 3.59Å; F59-Y179 VanDerWaalsContact O-CA 3.31Å; F59-Y179 WeakPolarHBondContact O-CA 3.29Å; P60-Y179 HydrophobicContact CB-CD1 4.08Å; P60-Y179 HydrophobicContact CB-CE1 3.96Å; K65-Y179 WeakPolarHBondContact O-CE1 3.21Å; L67-Y179 HydrophobicContact CB-CD1 4.04Å; L67-Y179 HydrophobicContact CB-CE1 4.11Å; L67-Y179 HydrophobicContact CB-CG 4.34Å; L67-Y179 HydrophobicContact CD1-CD1 4.28Å; L67-Y179 HydrophobicContact CD1-CD2 3.41Å; L67-Y179 VanDerWaalsContact CD1-CD2 3.41Å; L67-Y179 HydrophobicContact CD1-CE1 4.46Å; L67-Y179 HydrophobicContact CD1-CE2 3.65Å; L67-Y179 HydrophobicContact CD1-CG 3.78Å; P68-Y179 VanDerWaalsContact CD-OH 3.31Å; P68-Y179 WeakPolarHBondContact CD-OH 3.41Å; V145-Y179 HydrophobicContact CG1-CD2 3.71Å; V145-Y179 HydrophobicContact CG1-CE2 3.64Å; F146-Y179 PolarHBondContact O-N 3.33Å; F148-Y179 WeakPolarHBondContact CD2-O 3.49Å; F148-Y179 PolarHBondContact N-O 3.26Å; E177-Y179 HydrophobicContact CB-CE2 4.1Å; E177-Y179 PolarHBondContact OE2-OH 2.72Å
180	A	93.7	Very high	89.8	Confident	1 Å²	1	49.6 Å²	49.6	1%	0.008	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	148.4	164.1	0	0	0	0	0	112.2	Y58 F59 I61 F148 M155 L163	Y58-A180 WeakPolarHBondContact CA-O 3.3Å; F59-A180 HydrophobicContact CD1-CB 4.05Å; F59-A180 WeakPolarHBondContact CD1-O 3.3Å; F59-A180 HydrophobicContact CD2-CB 4.35Å; F59-A180 HydrophobicContact CE1-CB 3.32Å; F59-A180 WeakPolarHBondContact CE1-O 3.46Å; F59-A180 HydrophobicContact CE2-CB 3.69Å; F59-A180 HydrophobicContact CZ-CB 3.13Å; F59-A180 PolarHBondContact N-O 3.42Å; F59-A180 PolarHBondContact O-N 3.27Å; I61-A180 HydrophobicContact CD1-CB 3.69Å; I61-A180 HydrophobicContact CG1-CB 4.05Å; F148-A180 HydrophobicContact CB-CB 4.27Å; F148-A180 CarbonylContact O-C 3.46Å; F148-A180 WeakPolarHBondContact O-CA 3.45Å; F148-A180 WeakPolarHBondContact O-CB 3.3Å; M155-A180 HydrophobicContact CE-CB 4.29Å; L163-A180 HydrophobicContact CD2-CB 4.44Å
181	V	93.2	Very high	89.5	Confident	7 Å²	7	52.7 Å²	52.7	4%	0.042	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69	128.3	174.6	-172.3	0	0	0	0	108.5	Y58 I147 F148 W149 R185 M186 F189 I217	Y58-V181 HydrophobicContact CD1-CG2 4.21Å; Y58-V181 HydrophobicContact CE1-CG2 4.02Å; I147-V181 HydrophobicContact CG2-CG2 4.05Å; F148-V181 PolarHBondContact O-N 2.89Å; W149-V181 HydrophobicContact CB-CB 4.21Å; W149-V181 HydrophobicContact CB-CG2 3.75Å; V181-R185 HydrophobicContact CG1-CB 3.78Å; V181-R185 HydrophobicContact CG1-CG 3.88Å; V181-M186 HydrophobicContact CB-CG 4.35Å; V181-M186 HydrophobicContact CB-SD 4.12Å; V181-M186 HydrophobicContact CG1-CG 3.9Å; V181-M186 HydrophobicContact CG1-SD 3.96Å; V181-F189 HydrophobicContact CG1-CE2 4.2Å; V181-I217 HydrophobicContact CG2-CD1 4.43Å
182	S	89.9	Confident	89.2	Confident	9 Å²	9	50.2 Å²	50.2	6%	0.063	27%	0.266	C	S	.	.			trans	-73.2	157.6	-179.4	73.6	0	0	0	0	111.9	S56 A57 A184 R185 M186	S56-S182 WeakPolarHBondContact O-CB 3.24Å; S56-S182 PolarHBondContact O-OG 3.41Å; A57-S182 PolarHBondContact O-N 3.12Å; A57-S182 PolarHBondContact O-OG 2.78Å; S182-A184 VanDerWaalsContact C-N 3.27Å; S182-A184 PolarHBondContact O-N 3.43Å; S182-R185 PolarHBondContact O-N 2.9Å; S182-R185 WeakPolarHBondContact OG-CB 3.38Å; S182-R185 PolarHBondContact OG-N 3.08Å; S182-M186 WeakPolarHBondContact O-CG 3.15Å; S182-M186 PolarHBondContact O-N 3.32Å
183	P	89	Confident	88.9	Confident	40 Å²	40	45.7 Å²	45.7	26%	0.26	24%	0.242	S	C	.	.	H	α-helix	trans	-60.6	-37.6	-179.8	-23.2	34.3	0	0	0	112.5	W52 P152 M186 Q187	W52-P183 HydrophobicContact CD2-CG 4.48Å; W52-P183 HydrophobicContact CZ2-CG 3.75Å; P152-P183 HydrophobicContact CG-CB 3.97Å; P152-P183 HydrophobicContact CG-CG 3.89Å; P183-M186 WeakPolarHBondContact O-CB 3.29Å; P183-M186 PolarHBondContact O-N 3.02Å; P183-Q187 PolarHBondContact O-N 3.23Å
184	A	86.5	Confident	88.6	Confident	59 Å²	59	49.3 Å²	49.3	49%	0.488	26%	0.255	S	S	.	.	H	α-helix	trans	-64	-40.8	174.2	0	0	0	0	0	111.6	S182 Q187 Q188	S182-A184 VanDerWaalsContact C-N 3.27Å; S182-A184 PolarHBondContact O-N 3.43Å; A184-Q187 PolarHBondContact O-N 3.35Å; A184-Q188 WeakPolarHBondContact O-CG 3.18Å; A184-Q188 PolarHBondContact O-N 2.95Å
185	R	88.9	Confident	88.3	Confident	60 Å²	60	48 Å²	48	23%	0.226	26%	0.257	C	S	.	.	H	α-helix	trans	-69.6	-38	177.3	-167.1	57.7	167.6	-177.7	4.5	112.4	A57 V181 S182 Q187 Q188 F189 E220	A57-R185 HydrophobicContact CB-CB 4.39Å; A57-R185 HydrophobicContact CB-CG 4.04Å; A57-R185 WeakPolarHBondContact O-CB 3.39Å; V181-R185 HydrophobicContact CG1-CB 3.78Å; V181-R185 HydrophobicContact CG1-CG 3.88Å; S182-R185 PolarHBondContact O-N 2.9Å; S182-R185 WeakPolarHBondContact OG-CB 3.38Å; S182-R185 PolarHBondContact OG-N 3.08Å; R185-Q187 VanDerWaalsContact C-N 3.3Å; R185-Q187 PolarHBondContact O-N 2.83Å; R185-Q188 WeakPolarHBondContact O-CB 3.49Å; R185-Q188 PolarHBondContact O-N 3.48Å; R185-F189 HydrophobicContact CG-CD1 4.36Å; R185-F189 HydrophobicContact CG-CE1 3.79Å; R185-F189 HydrophobicContact CG-CE2 4.38Å; R185-F189 HydrophobicContact CG-CZ 3.8Å; R185-F189 VanDerWaalsContact NE-CE1 3.26Å; R185-F189 WeakPolarHBondContact O-CD1 3.47Å; R185-F189 WeakPolarHBondContact O-CG 3.4Å; R185-F189 PolarHBondContact O-N 3.01Å; R185-E220 IonicContact CZ-OE1 2.83Å; R185-E220 IonicContact NE-OE1 2.76Å; R185-E220 PolarHBondContact NE-OE1 3.48Å; R185-E220 IonicContact NE-OE2 3.65Å; R185-E220 IonicContact NH2-OE1 3.63Å; R185-E220 PolarHBondContact NH2-OE1 3.17Å; R185-E220 IonicContact NH2-OE2 3.32Å
186	M	89.5	Confident	88	Confident	13 Å²	13	48.6 Å²	48.6	6%	0.064	26%	0.256	C	S	.	.	H	α-helix	trans	-55.3	-45.5	170.8	-71.2	-74	-49.1	0	0	111.3	W149 V181 S182 P183 F189 D190 F213	W149-M186 HydrophobicContact CB-SD 4.13Å; W149-M186 HydrophobicContact CE3-CE 3.73Å; W149-M186 HydrophobicContact CE3-SD 4.08Å; W149-M186 HydrophobicContact CZ3-CE 4.13Å; V181-M186 HydrophobicContact CB-CG 4.35Å; V181-M186 HydrophobicContact CB-SD 4.12Å; V181-M186 HydrophobicContact CG1-CG 3.9Å; V181-M186 HydrophobicContact CG1-SD 3.96Å; S182-M186 WeakPolarHBondContact O-CG 3.15Å; S182-M186 PolarHBondContact O-N 3.32Å; P183-M186 WeakPolarHBondContact O-CB 3.29Å; P183-M186 PolarHBondContact O-N 3.02Å; M186-F189 PolarHBondContact O-N 3.17Å; M186-D190 PolarHBondContact O-N 2.76Å; M186-D190 VanDerWaalsContact O-N 3.09Å; M186-F213 HydrophobicContact CE-CE1 3.47Å; M186-F213 VanDerWaalsContact CE-CE1 3.47Å; M186-F213 HydrophobicContact CE-CE2 4.4Å; M186-F213 HydrophobicContact CE-CZ 3.3Å; M186-F213 HydrophobicContact SD-CD1 4.19Å; M186-F213 HydrophobicContact SD-CE1 3.3Å; M186-F213 WeakPolarHBondContact SD-CE1 3.04Å; M186-F213 HydrophobicContact SD-CZ 3.85Å
187	Q	87.4	Confident	87.7	Confident	124 Å²	124	51 Å²	51	58%	0.579	27%	0.272	S	S	*	.	H	α-helix	trans	-64.2	-41.6	177.2	-176.3	176.2	-1.4	0	0	112	P183 A184 R185 F189 D190 D191	P183-Q187 PolarHBondContact O-N 3.23Å; A184-Q187 PolarHBondContact O-N 3.35Å; R185-Q187 VanDerWaalsContact C-N 3.3Å; R185-Q187 PolarHBondContact O-N 2.83Å; Q187-F189 VanDerWaalsContact C-N 3.27Å; Q187-F189 PolarHBondContact O-N 2.78Å; Q187-D190 WeakPolarHBondContact O-CB 3.03Å; Q187-D190 PolarHBondContact O-N 3.22Å; Q187-D190 VanDerWaalsContact O-N 3.15Å; Q187-D191 PolarHBondContact O-N 3.05Å
188	Q	86.8	Confident	87.3	Confident	98 Å²	98	51.6 Å²	51.6	46%	0.458	29%	0.293	S	S	.	.	H	α-helix	trans	-60.8	-36.5	175.2	-71.3	172.4	-21.2	0	0	112.5	A184 R185 D191 L192	A184-Q188 WeakPolarHBondContact O-CG 3.18Å; A184-Q188 PolarHBondContact O-N 2.95Å; R185-Q188 WeakPolarHBondContact O-CB 3.49Å; R185-Q188 PolarHBondContact O-N 3.48Å; Q188-D191 PolarHBondContact O-N 3.42Å; Q188-L192 WeakPolarHBondContact O-CB 3.37Å; Q188-L192 PolarHBondContact O-N 3.32Å
189	F	88.4	Confident	86.6	Confident	3 Å²	3	58.4 Å²	58.4	1%	0.013	32%	0.322	C	S	.	.	H	α-helix	trans	-69.6	-35	175.6	-67.4	-3.2	0	0	0	112.5	V181 R185 M186 Q187 F193 W212 F213 V216 I217 E220	V181-F189 HydrophobicContact CG1-CE2 4.2Å; R185-F189 HydrophobicContact CG-CD1 4.36Å; R185-F189 HydrophobicContact CG-CE1 3.79Å; R185-F189 HydrophobicContact CG-CE2 4.38Å; R185-F189 HydrophobicContact CG-CZ 3.8Å; R185-F189 VanDerWaalsContact NE-CE1 3.26Å; R185-F189 WeakPolarHBondContact O-CD1 3.47Å; R185-F189 WeakPolarHBondContact O-CG 3.4Å; R185-F189 PolarHBondContact O-N 3.01Å; M186-F189 PolarHBondContact O-N 3.17Å; Q187-F189 VanDerWaalsContact C-N 3.27Å; Q187-F189 PolarHBondContact O-N 2.78Å; F189-F193 WeakPolarHBondContact O-CB 3.35Å; F189-F193 PolarHBondContact O-N 3.05Å; F189-W212 PolarHBondContact O-NE1 3.35Å; F189-F213 HydrophobicContact CB-CE1 4.33Å; F189-F213 AromaticContact CD2-CD1 3.46Å; F189-F213 HydrophobicContact CD2-CD1 3.46Å; F189-F213 VanDerWaalsContact CD2-CD1 3.46Å; F189-F213 AromaticContact CD2-CE1 3.58Å; F189-F213 HydrophobicContact CD2-CE1 3.58Å; F189-F213 HydrophobicContact CD2-CG 4.47Å; F189-F213 AromaticContact CE2-CD1 3.94Å; F189-F213 HydrophobicContact CE2-CD1 3.94Å; F189-F213 HydrophobicContact CE2-CE1 4.4Å; F189-F213 HydrophobicContact CG-CE1 4.46Å; F189-V216 HydrophobicContact CD1-CB 4.44Å; F189-V216 HydrophobicContact CD1-CG1 3.58Å; F189-V216 HydrophobicContact CE1-CB 4.28Å; F189-V216 HydrophobicContact CE1-CG1 3.32Å; F189-V216 HydrophobicContact CE2-CG1 4.39Å; F189-V216 HydrophobicContact CG-CG1 4.21Å; F189-V216 HydrophobicContact CZ-CB 4.34Å; F189-V216 HydrophobicContact CZ-CG1 3.77Å; F189-I217 HydrophobicContact CE2-CD1 4.47Å; F189-I217 HydrophobicContact CE2-CG1 4.01Å; F189-I217 HydrophobicContact CZ-CG1 4.12Å; F189-E220 VanDerWaalsContact CE1-OE1 3.3Å; F189-E220 WeakPolarHBondContact CE1-OE1 3.43Å; F189-E220 WeakPolarHBondContact CZ-OE1 3.44Å
190	D	86.3	Confident	85.6	Confident	33 Å²	33	60.4 Å²	60.4	18%	0.176	33%	0.333	C	S	.	.	H	α-helix	trans	-66.8	-43.9	172.8	-77.4	-4.3	0	0	0	111.1	M186 Q187 F193 R194 R201 L208	M186-D190 PolarHBondContact O-N 2.76Å; M186-D190 VanDerWaalsContact O-N 3.09Å; Q187-D190 WeakPolarHBondContact O-CB 3.03Å; Q187-D190 PolarHBondContact O-N 3.22Å; Q187-D190 VanDerWaalsContact O-N 3.15Å; D190-F193 PolarHBondContact O-N 3.43Å; D190-R194 PolarHBondContact O-N 2.86Å; D190-R201 IonicContact OD1-NE 2.83Å; D190-R201 IonicContact OD2-CZ 3.62Å; D190-R201 IonicContact OD2-NE 3.82Å; D190-R201 PolarHBondContact OD2-NE 3.17Å; D190-R201 IonicContact OD2-NH2 3.59Å; D190-L208 VanDerWaalsContact OD1-CD1 3.3Å; D190-L208 WeakPolarHBondContact OD1-CD1 3.46Å
191	D	85.9	Confident	84.5	Confident	67 Å²	67	62.5 Å²	62.5	36%	0.358	34%	0.341	S	S	.	.	H	α-helix	trans	-63.4	-42.5	177.2	-78.6	-38.3	0	0	0	111.9	Q187 Q188 R194 G195	Q187-D191 PolarHBondContact O-N 3.05Å; Q188-D191 PolarHBondContact O-N 3.42Å; D191-R194 PolarHBondContact O-N 3.31Å; D191-R194 IonicContact OD1-CZ 3.5Å; D191-R194 IonicContact OD1-NH2 3.28Å; D191-R194 PolarHBondContact OD1-NH2 3.27Å; D191-G195 PolarHBondContact O-N 3.33Å
192	L	84.5	Confident	83.3	Confident	70 Å²	70	68.8 Å²	68.8	37%	0.366	37%	0.37	S	S	.	.	H	α-helix	trans	-60.9	-46.9	174.5	179.5	62.9	0	0	0	111.1	Q188 R194 G195 E196 W212 V216	Q188-L192 WeakPolarHBondContact O-CB 3.37Å; Q188-L192 PolarHBondContact O-N 3.32Å; L192-R194 VanDerWaalsContact C-N 3.28Å; L192-R194 PolarHBondContact O-N 3.06Å; L192-G195 PolarHBondContact O-N 3.02Å; L192-G195 VanDerWaalsContact O-N 3.09Å; L192-E196 HydrophobicContact CD1-CG 3.98Å; L192-E196 HydrophobicContact CG-CG 4.34Å; L192-E196 WeakPolarHBondContact O-CG 3.19Å; L192-E196 PolarHBondContact O-N 2.9Å; L192-W212 HydrophobicContact CB-CZ2 4.28Å; L192-W212 HydrophobicContact CD2-CH2 4.34Å; L192-W212 HydrophobicContact CD2-CZ2 4.15Å; L192-W212 HydrophobicContact CG-CH2 4.16Å; L192-W212 HydrophobicContact CG-CZ2 4.03Å; L192-V216 HydrophobicContact CD2-CG1 4.05Å; L192-V216 HydrophobicContact CD2-CG2 4.06Å
193	F	83.6	Confident	82	Confident	45 Å²	45	76.4 Å²	76.4	20%	0.197	40%	0.402	C	S	.	.	H	α-helix	trans	-57.4	-44.6	178.1	-179.8	-94.2	0	0	0	111.7	F189 D190 G195 E196 T197 K199 L208 W212	F189-F193 WeakPolarHBondContact O-CB 3.35Å; F189-F193 PolarHBondContact O-N 3.05Å; D190-F193 PolarHBondContact O-N 3.43Å; F193-G195 VanDerWaalsContact C-N 3.35Å; F193-E196 PolarHBondContact O-N 2.9Å; F193-T197 HydrophobicContact CD2-CG2 4.08Å; F193-T197 HydrophobicContact CE1-CG2 4.37Å; F193-T197 WeakPolarHBondContact CE1-OG1 3.29Å; F193-T197 HydrophobicContact CE2-CG2 3.81Å; F193-T197 HydrophobicContact CG-CG2 4.49Å; F193-T197 HydrophobicContact CZ-CG2 3.96Å; F193-T197 WeakPolarHBondContact O-CB 3.2Å; F193-T197 WeakPolarHBondContact O-CG2 3.15Å; F193-T197 PolarHBondContact O-N 3.3Å; F193-T197 PolarHBondContact O-OG1 3.14Å; F193-K199 HydrophobicContact CE1-CB 4.21Å; F193-L208 HydrophobicContact CB-CD1 3.68Å; F193-L208 HydrophobicContact CB-CD2 4.37Å; F193-L208 HydrophobicContact CD1-CD1 4.39Å; F193-L208 HydrophobicContact CD1-CD2 3.6Å; F193-L208 HydrophobicContact CD2-CD1 4.24Å; F193-L208 HydrophobicContact CD2-CD2 3.74Å; F193-L208 HydrophobicContact CE1-CD2 3.7Å; F193-L208 HydrophobicContact CE2-CD2 3.83Å; F193-L208 HydrophobicContact CG-CD1 3.85Å; F193-L208 HydrophobicContact CG-CD2 3.61Å; F193-L208 HydrophobicContact CG-CG 4.41Å; F193-L208 HydrophobicContact CZ-CD2 3.8Å; F193-W212 VanDerWaalsContact CA-CZ2 3.49Å; F193-W212 HydrophobicContact CB-CH2 4.19Å; F193-W212 HydrophobicContact CB-CZ2 3.56Å; F193-W212 AromaticContact CD2-CD2 3.85Å; F193-W212 HydrophobicContact CD2-CD2 3.85Å; F193-W212 AromaticContact CD2-CE2 3.93Å; F193-W212 AromaticContact CD2-CE3 3.95Å; F193-W212 HydrophobicContact CD2-CE3 3.95Å; F193-W212 HydrophobicContact CD2-CG 4.43Å; F193-W212 HydrophobicContact CD2-CH2 4.2Å; F193-W212 HydrophobicContact CD2-CZ2 4.12Å; F193-W212 HydrophobicContact CD2-CZ3 4.12Å; F193-W212 HydrophobicContact CG-CZ2 4.36Å
194	R	84.7	Confident	80.7	Confident	121 Å²	121	77.8 Å²	77.8	46%	0.457	41%	0.413	S	S	.	.	H	α-helix	trans	-63.3	-41.7	176.3	179.9	177.5	61	172.6	-3	111.7	D190 D191 L192 G198 K199	D190-R194 PolarHBondContact O-N 2.86Å; D191-R194 PolarHBondContact O-N 3.31Å; D191-R194 IonicContact OD1-CZ 3.5Å; D191-R194 IonicContact OD1-NH2 3.28Å; D191-R194 PolarHBondContact OD1-NH2 3.27Å; L192-R194 VanDerWaalsContact C-N 3.28Å; L192-R194 PolarHBondContact O-N 3.06Å; R194-G198 VanDerWaalsContact O-CA 3.25Å; R194-G198 WeakPolarHBondContact O-CA 3.26Å; R194-G198 PolarHBondContact O-N 3.49Å; R194-K199 WeakPolarHBondContact CA-O 3.46Å
195	G	80.4	Confident	79.8	Confident	64 Å²	64	83.7 Å²	83.7	66%	0.66	43%	0.43	S	S	*	.	H	α-helix	trans	-60.8	-45.2	176.8	0	0	0	0	0	113	D191 L192 F193	D191-G195 PolarHBondContact O-N 3.33Å; L192-G195 PolarHBondContact O-N 3.02Å; L192-G195 VanDerWaalsContact O-N 3.09Å; F193-G195 VanDerWaalsContact C-N 3.35Å
196	E	80.9	Confident	78.9	Confident	140 Å²	140	84 Å²	84	65%	0.654	44%	0.441	S	S	*	.	H	α-helix	trans	-76.9	-32.6	-177.5	-65.6	-57.6	148.1	0	0	113.5	L192 F193	L192-E196 HydrophobicContact CD1-CG 3.98Å; L192-E196 HydrophobicContact CG-CG 4.34Å; L192-E196 WeakPolarHBondContact O-CG 3.19Å; L192-E196 PolarHBondContact O-N 2.9Å; F193-E196 PolarHBondContact O-N 2.9Å
197	T	82.3	Confident	78.3	Confident	60 Å²	60	89.2 Å²	89.2	37%	0.368	46%	0.46	S	S	.	.	H	α-helix	trans	-107.9	-14.5	-171.5	68.6	0	0	0	0	114.4	F193 K199	F193-T197 HydrophobicContact CD2-CG2 4.08Å; F193-T197 HydrophobicContact CE1-CG2 4.37Å; F193-T197 WeakPolarHBondContact CE1-OG1 3.29Å; F193-T197 HydrophobicContact CE2-CG2 3.81Å; F193-T197 HydrophobicContact CG-CG2 4.49Å; F193-T197 HydrophobicContact CZ-CG2 3.96Å; F193-T197 WeakPolarHBondContact O-CB 3.2Å; F193-T197 WeakPolarHBondContact O-CG2 3.15Å; F193-T197 PolarHBondContact O-N 3.3Å; F193-T197 PolarHBondContact O-OG1 3.14Å; T197-K199 PolarHBondContact O-N 2.8Å; T197-K199 WeakPolarHBondContact OG1-CB 3.48Å; T197-K199 PolarHBondContact OG1-N 3.47Å; T197-K199 VanDerWaalsContact OG1-N 3.15Å
198	G	83.5	Confident	78.3	Confident	69 Å²	69	84 Å²	84	71%	0.711	44%	0.436	S	S	*	.	S	Bend	trans	65.8	6	-168.5	0	0	0	0	0	114.2	R194	R194-G198 VanDerWaalsContact O-CA 3.25Å; R194-G198 WeakPolarHBondContact O-CA 3.26Å; R194-G198 PolarHBondContact O-N 3.49Å
199	K	78.4	Confident	78.6	Confident	142 Å²	142	82.9 Å²	82.9	62%	0.617	44%	0.439	S	S	*	.			trans	-103	131.6	-177.5	-65.5	-179.9	-178.9	177.8	0	111	F193 R194 T197	F193-K199 HydrophobicContact CE1-CB 4.21Å; R194-K199 WeakPolarHBondContact CA-O 3.46Å; T197-K199 PolarHBondContact O-N 2.8Å; T197-K199 WeakPolarHBondContact OG1-CB 3.48Å; T197-K199 PolarHBondContact OG1-N 3.47Å; T197-K199 VanDerWaalsContact OG1-N 3.15Å
200	D	73.3	Confident	79	Confident	44 Å²	44	83.5 Å²	83.5	24%	0.235	44%	0.443	C	S	.	.			trans	-88.5	127.1	174.8	-163.9	-35.2	0	0	0	110.6	E202 K203 S204	D200-E202 VanDerWaalsContact C-N 3.27Å; D200-E202 PolarHBondContact O-N 2.85Å; D200-E202 WeakPolarHBondContact OD1-CB 3.39Å; D200-E202 PolarHBondContact OD1-N 2.96Å; D200-K203 HydrophobicContact CB-CB 4.09Å; D200-K203 HydrophobicContact CB-CD 3.87Å; D200-K203 HydrophobicContact CB-CG 3.84Å; D200-K203 PolarHBondContact O-N 3.43Å; D200-S204 PolarHBondContact O-N 3.22Å
201	R	70.7	Confident	79.5	Confident	45 Å²	45	83.3 Å²	83.3	17%	0.17	45%	0.449	C	S	.	.	H	α-helix	trans	-56.3	-42.8	175.3	-173.4	-177.6	70.2	69.8	5.2	111.2	D190 K203 S204 H205 S206	D190-R201 IonicContact OD1-NE 2.83Å; D190-R201 IonicContact OD2-CZ 3.62Å; D190-R201 IonicContact OD2-NE 3.82Å; D190-R201 PolarHBondContact OD2-NE 3.17Å; D190-R201 IonicContact OD2-NH2 3.59Å; R201-K203 VanDerWaalsContact C-N 3.32Å; R201-K203 PolarHBondContact O-N 3.09Å; R201-S204 PolarHBondContact O-N 3.26Å; R201-S204 VanDerWaalsContact O-N 3.12Å; R201-S204 PolarHBondContact O-OG 3.25Å; R201-H205 PolarHBondContact O-N 2.93Å; R201-S206 WeakPolarHBondContact CG-O 3.49Å
202	E	67.5	Low	79.8	Confident	138 Å²	138	82.4 Å²	82.4	65%	0.645	44%	0.44	S	S	*	.	H	α-helix	trans	-64.1	-39.4	-177.4	-63.7	-166.9	160.8	0	0	111.5	D200 S204 H205	D200-E202 VanDerWaalsContact C-N 3.27Å; D200-E202 PolarHBondContact O-N 2.85Å; D200-E202 WeakPolarHBondContact OD1-CB 3.39Å; D200-E202 PolarHBondContact OD1-N 2.96Å; E202-S204 VanDerWaalsContact C-N 3.29Å; E202-S204 PolarHBondContact O-N 3.43Å; E202-H205 PolarHBondContact O-N 2.91Å
203	K	63.6	Low	80.3	Confident	170 Å²	170	79.2 Å²	79.2	74%	0.739	42%	0.423	S	S	*	.	H	α-helix	trans	-67.9	-28.9	175.8	-64.9	-178.3	-175.1	177.5	0	112.8	D200 R201 H205	D200-K203 HydrophobicContact CB-CB 4.09Å; D200-K203 HydrophobicContact CB-CD 3.87Å; D200-K203 HydrophobicContact CB-CG 3.84Å; D200-K203 PolarHBondContact O-N 3.43Å; R201-K203 VanDerWaalsContact C-N 3.32Å; R201-K203 PolarHBondContact O-N 3.09Å; K203-H205 VanDerWaalsContact C-N 3.33Å
204	S	62.3	Low	81	Confident	69 Å²	69	77 Å²	77	48%	0.483	41%	0.414	S	S	.	.	H	α-helix	trans	-81.4	-9.2	179.3	75.6	0	0	0	0	114.3	D200 R201 E202 S206	D200-S204 PolarHBondContact O-N 3.22Å; R201-S204 PolarHBondContact O-N 3.26Å; R201-S204 VanDerWaalsContact O-N 3.12Å; R201-S204 PolarHBondContact O-OG 3.25Å; E202-S204 VanDerWaalsContact C-N 3.29Å; E202-S204 PolarHBondContact O-N 3.43Å; S204-S206 PolarHBondContact O-N 3.13Å; S204-S206 PolarHBondContact OG-N 2.97Å
205	H	67.3	Low	81.5	Confident	183 Å²	183	74.8 Å²	74.8	85%	0.847	41%	0.41	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.7	24.2	-172.9	-61.5	-66.9	0	0	0	114.7	R201 E202 K203	R201-H205 PolarHBondContact O-N 2.93Å; E202-H205 PolarHBondContact O-N 2.91Å; K203-H205 VanDerWaalsContact C-N 3.33Å
206	S	68.8	Low	82	Confident	66 Å²	66	72.4 Å²	72.4	46%	0.462	38%	0.382	S	S	.	.			trans	-122.2	162.7	-176.4	-172.5	0	0	0	0	111.4	R201 S204	R201-S206 WeakPolarHBondContact CG-O 3.49Å; S204-S206 PolarHBondContact O-N 3.13Å; S204-S206 PolarHBondContact OG-N 2.97Å
207	W	77.9	Confident	82.6	Confident	122 Å²	122	65.8 Å²	65.8	46%	0.462	35%	0.351	S	S	.	.	P	Polyproline II helix	trans	-98.5	146.5	170	-65.6	94.6	0	0	0	109.5	P151	P151-W207 HydrophobicContact CB-CH2 3.82Å; P151-W207 HydrophobicContact CB-CZ3 4.1Å; P151-W207 HydrophobicContact CG-CH2 3.82Å; P151-W207 HydrophobicContact CG-CZ2 4.15Å; P151-W207 HydrophobicContact CG-CZ3 4.14Å
208	L	87.6	Confident	83.1	Confident	15 Å²	15	63 Å²	63	8%	0.079	33%	0.334	C	S	.	.	P	Polyproline II helix	trans	-62.7	143.9	172.5	-54.4	-179.9	0	0	0	109.7	W149 D190 F193 W212 F213	W149-L208 VanDerWaalsContact CH2-O 3.23Å; W149-L208 WeakPolarHBondContact CH2-O 3.41Å; D190-L208 VanDerWaalsContact OD1-CD1 3.3Å; D190-L208 WeakPolarHBondContact OD1-CD1 3.46Å; F193-L208 HydrophobicContact CB-CD1 3.68Å; F193-L208 HydrophobicContact CB-CD2 4.37Å; F193-L208 HydrophobicContact CD1-CD1 4.39Å; F193-L208 HydrophobicContact CD1-CD2 3.6Å; F193-L208 HydrophobicContact CD2-CD1 4.24Å; F193-L208 HydrophobicContact CD2-CD2 3.74Å; F193-L208 HydrophobicContact CE1-CD2 3.7Å; F193-L208 HydrophobicContact CE2-CD2 3.83Å; F193-L208 HydrophobicContact CG-CD1 3.85Å; F193-L208 HydrophobicContact CG-CD2 3.61Å; F193-L208 HydrophobicContact CG-CG 4.41Å; F193-L208 HydrophobicContact CZ-CD2 3.8Å; L208-W212 HydrophobicContact CB-CB 4.22Å; L208-W212 HydrophobicContact CB-CG 4.14Å; L208-W212 HydrophobicContact CD1-CG 4.17Å; L208-F213 HydrophobicContact CB-CD2 4.45Å; L208-F213 HydrophobicContact CB-CE2 3.84Å
209	S	92.7	Very high	83.3	Confident	75 Å²	75	64.3 Å²	64.3	52%	0.524	33%	0.328	S	S	.	.	P	Polyproline II helix	trans	-69.6	155.9	-175.7	70.8	0	0	0	0	111.1	G211 W212 F213	S209-G211 PolarHBondContact O-N 3.11Å; S209-G211 VanDerWaalsContact O-N 3.12Å; S209-G211 PolarHBondContact OG-N 2.88Å; S209-W212 WeakPolarHBondContact O-CB 3.37Å; S209-W212 PolarHBondContact O-N 3Å; S209-W212 PolarHBondContact OG-N 3.18Å; S209-W212 VanDerWaalsContact OG-N 3.16Å; S209-F213 WeakPolarHBondContact O-CD2 3.43Å; S209-F213 PolarHBondContact O-N 3.25Å
210	T	96.6	Very high	83.7	Confident	16 Å²	16	59.7 Å²	59.7	10%	0.098	31%	0.309	C	S	.	.	H	α-helix	trans	-53.9	-32.9	169.1	-56.3	0	0	0	0	111.1	M101 N102 V121 W149 W212 F213 T214	M101-T210 HydrophobicContact CB-CG2 3.87Å; M101-T210 HydrophobicContact CG-CG2 3.91Å; M101-T210 HydrophobicContact SD-CG2 4.2Å; N102-T210 WeakPolarHBondContact ND2-CB 3.49Å; N102-T210 PolarHBondContact ND2-OG1 3.49Å; N102-T210 PolarHBondContact OD1-OG1 3.27Å; V121-T210 HydrophobicContact CB-CG2 4.39Å; V121-T210 HydrophobicContact CG1-CG2 4.01Å; W149-T210 PolarHBondContact NE1-OG1 3.04Å; T210-W212 PolarHBondContact O-N 3.2Å; T210-F213 PolarHBondContact O-N 3.45Å; T210-T214 WeakPolarHBondContact O-CB 3.43Å; T210-T214 PolarHBondContact O-N 3.25Å; T210-T214 PolarHBondContact O-OG1 3.06Å
211	G	96.4	Very high	84.4	Confident	28 Å²	28	58.1 Å²	58.1	29%	0.289	30%	0.3	S	S	.	.	H	α-helix	trans	-59.1	-41.9	175.6	0	0	0	0	0	113.6	M101 S209 T214 M215	M101-G211 VanDerWaalsContact SD-CA 3.55Å; S209-G211 PolarHBondContact O-N 3.11Å; S209-G211 VanDerWaalsContact O-N 3.12Å; S209-G211 PolarHBondContact OG-N 2.88Å; G211-T214 PolarHBondContact O-N 3.28Å; G211-M215 WeakPolarHBondContact O-CB 3.41Å; G211-M215 PolarHBondContact O-N 3.41Å
212	W	93.3	Very high	85.3	Confident	49 Å²	49	56.4 Å²	56.4	19%	0.186	30%	0.295	C	S	.	.	H	α-helix	trans	-60.4	-52	173.2	171.2	-104.5	0	0	0	111.4	F189 L192 F193 L208 S209 T210 T214 M215 V216	F189-W212 PolarHBondContact O-NE1 3.35Å; L192-W212 HydrophobicContact CB-CZ2 4.28Å; L192-W212 HydrophobicContact CD2-CH2 4.34Å; L192-W212 HydrophobicContact CD2-CZ2 4.15Å; L192-W212 HydrophobicContact CG-CH2 4.16Å; L192-W212 HydrophobicContact CG-CZ2 4.03Å; F193-W212 VanDerWaalsContact CA-CZ2 3.49Å; F193-W212 HydrophobicContact CB-CH2 4.19Å; F193-W212 HydrophobicContact CB-CZ2 3.56Å; F193-W212 AromaticContact CD2-CD2 3.85Å; F193-W212 HydrophobicContact CD2-CD2 3.85Å; F193-W212 AromaticContact CD2-CE2 3.93Å; F193-W212 AromaticContact CD2-CE3 3.95Å; F193-W212 HydrophobicContact CD2-CE3 3.95Å; F193-W212 HydrophobicContact CD2-CG 4.43Å; F193-W212 HydrophobicContact CD2-CH2 4.2Å; F193-W212 HydrophobicContact CD2-CZ2 4.12Å; F193-W212 HydrophobicContact CD2-CZ3 4.12Å; F193-W212 HydrophobicContact CG-CZ2 4.36Å; L208-W212 HydrophobicContact CB-CB 4.22Å; L208-W212 HydrophobicContact CB-CG 4.14Å; L208-W212 HydrophobicContact CD1-CG 4.17Å; S209-W212 WeakPolarHBondContact O-CB 3.37Å; S209-W212 PolarHBondContact O-N 3Å; S209-W212 PolarHBondContact OG-N 3.18Å; S209-W212 VanDerWaalsContact OG-N 3.16Å; T210-W212 PolarHBondContact O-N 3.2Å; W212-T214 VanDerWaalsContact C-N 3.27Å; W212-T214 PolarHBondContact O-N 2.84Å; W212-M215 PolarHBondContact O-N 3.45Å; W212-V216 HydrophobicContact CD2-CG2 4.05Å; W212-V216 HydrophobicContact CE3-CG2 4.4Å; W212-V216 HydrophobicContact CH2-CG2 4.04Å; W212-V216 HydrophobicContact CZ2-CG2 3.62Å; W212-V216 HydrophobicContact CZ3-CG2 4.4Å; W212-V216 WeakPolarHBondContact O-CG2 3.29Å; W212-V216 PolarHBondContact O-N 2.88Å
213	F	95.1	Very high	86.3	Confident	2 Å²	2	54.5 Å²	54.5	1%	0.009	29%	0.289	C	S	.	.	H	α-helix	trans	-56.1	-44.5	176.9	-77.5	-89.6	0	0	0	111.3	W149 M186 F189 L208 S209 T210 V216 I217	W149-F213 HydrophobicContact CB-CD1 4.17Å; W149-F213 HydrophobicContact CD2-CB 4.49Å; W149-F213 AromaticContact CD2-CD1 3.98Å; W149-F213 HydrophobicContact CD2-CD1 3.98Å; W149-F213 AromaticContact CD2-CD2 3.69Å; W149-F213 HydrophobicContact CD2-CD2 3.69Å; W149-F213 HydrophobicContact CD2-CE1 4.21Å; W149-F213 AromaticContact CD2-CE2 3.89Å; W149-F213 HydrophobicContact CD2-CE2 3.89Å; W149-F213 AromaticContact CD2-CG 3.77Å; W149-F213 HydrophobicContact CD2-CG 3.77Å; W149-F213 HydrophobicContact CD2-CZ 4.19Å; W149-F213 AromaticContact CE2-CD2 3.62Å; W149-F213 AromaticContact CE2-CG 3.94Å; W149-F213 HydrophobicContact CE3-CD1 4.13Å; W149-F213 AromaticContact CE3-CD2 3.78Å; W149-F213 HydrophobicContact CE3-CD2 3.78Å; W149-F213 AromaticContact CE3-CE1 3.88Å; W149-F213 HydrophobicContact CE3-CE1 3.88Å; W149-F213 AromaticContact CE3-CE2 3.46Å; W149-F213 HydrophobicContact CE3-CE2 3.46Å; W149-F213 VanDerWaalsContact CE3-CE2 3.46Å; W149-F213 HydrophobicContact CE3-CG 4.14Å; W149-F213 AromaticContact CE3-CZ 3.56Å; W149-F213 HydrophobicContact CE3-CZ 3.56Å; W149-F213 HydrophobicContact CG-CB 4.38Å; W149-F213 HydrophobicContact CG-CD1 4.01Å; W149-F213 HydrophobicContact CG-CD2 4.38Å; W149-F213 AromaticContact CG-CG 3.99Å; W149-F213 HydrophobicContact CG-CG 3.99Å; W149-F213 AromaticContact CH2-CD2 3.77Å; W149-F213 HydrophobicContact CH2-CD2 3.77Å; W149-F213 AromaticContact CH2-CE2 3.52Å; W149-F213 HydrophobicContact CH2-CE2 3.52Å; W149-F213 HydrophobicContact CH2-CZ 4.37Å; W149-F213 AromaticContact CZ2-CD2 3.68Å; W149-F213 HydrophobicContact CZ2-CD2 3.68Å; W149-F213 AromaticContact CZ2-CE2 3.95Å; W149-F213 HydrophobicContact CZ2-CE2 3.95Å; W149-F213 HydrophobicContact CZ2-CG 4.45Å; W149-F213 AromaticContact CZ3-CD2 3.83Å; W149-F213 HydrophobicContact CZ3-CD2 3.83Å; W149-F213 HydrophobicContact CZ3-CE1 4.43Å; W149-F213 AromaticContact CZ3-CE2 3.26Å; W149-F213 HydrophobicContact CZ3-CE2 3.26Å; W149-F213 AromaticContact CZ3-CZ 3.66Å; W149-F213 HydrophobicContact CZ3-CZ 3.66Å; M186-F213 HydrophobicContact CE-CE1 3.47Å; M186-F213 VanDerWaalsContact CE-CE1 3.47Å; M186-F213 HydrophobicContact CE-CE2 4.4Å; M186-F213 HydrophobicContact CE-CZ 3.3Å; M186-F213 HydrophobicContact SD-CD1 4.19Å; M186-F213 HydrophobicContact SD-CE1 3.3Å; M186-F213 WeakPolarHBondContact SD-CE1 3.04Å; M186-F213 HydrophobicContact SD-CZ 3.85Å; F189-F213 HydrophobicContact CB-CE1 4.33Å; F189-F213 AromaticContact CD2-CD1 3.46Å; F189-F213 HydrophobicContact CD2-CD1 3.46Å; F189-F213 VanDerWaalsContact CD2-CD1 3.46Å; F189-F213 AromaticContact CD2-CE1 3.58Å; F189-F213 HydrophobicContact CD2-CE1 3.58Å; F189-F213 HydrophobicContact CD2-CG 4.47Å; F189-F213 AromaticContact CE2-CD1 3.94Å; F189-F213 HydrophobicContact CE2-CD1 3.94Å; F189-F213 HydrophobicContact CE2-CE1 4.4Å; F189-F213 HydrophobicContact CG-CE1 4.46Å; L208-F213 HydrophobicContact CB-CD2 4.45Å; L208-F213 HydrophobicContact CB-CE2 3.84Å; S209-F213 WeakPolarHBondContact O-CD2 3.43Å; S209-F213 PolarHBondContact O-N 3.25Å; T210-F213 PolarHBondContact O-N 3.45Å; F213-V216 PolarHBondContact O-N 3.19Å; F213-I217 HydrophobicContact CB-CD1 4.47Å; F213-I217 VanDerWaalsContact O-CB 3.32Å; F213-I217 WeakPolarHBondContact O-CB 3.33Å; F213-I217 VanDerWaalsContact O-CD1 3.25Å; F213-I217 WeakPolarHBondContact O-CD1 3.4Å; F213-I217 WeakPolarHBondContact O-CG1 3.46Å; F213-I217 PolarHBondContact O-N 2.98Å
214	T	97.3	Very high	87.7	Confident	0 Å²	0	52.3 Å²	52.3	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-63.2	-41.7	178.8	-63.2	0	0	0	0	112.5	I76 I99 M101 V121 T210 G211 W212 A218	I76-T214 HydrophobicContact CD1-CG2 4.17Å; I76-T214 HydrophobicContact CG1-CG2 4.28Å; I76-T214 HydrophobicContact CG2-CG2 3.99Å; I99-T214 HydrophobicContact CB-CG2 4.49Å; I99-T214 HydrophobicContact CG2-CG2 3.56Å; M101-T214 HydrophobicContact CE-CG2 4.04Å; M101-T214 HydrophobicContact CG-CG2 4.2Å; M101-T214 WeakPolarHBondContact CG-OG1 3.45Å; V121-T214 VanDerWaalsContact CB-OG1 3.3Å; V121-T214 WeakPolarHBondContact CB-OG1 3.43Å; V121-T214 HydrophobicContact CG2-CG2 4.22Å; T210-T214 WeakPolarHBondContact O-CB 3.43Å; T210-T214 PolarHBondContact O-N 3.25Å; T210-T214 PolarHBondContact O-OG1 3.06Å; G211-T214 PolarHBondContact O-N 3.28Å; W212-T214 VanDerWaalsContact C-N 3.27Å; W212-T214 PolarHBondContact O-N 2.84Å; T214-A218 VanDerWaalsContact O-CB 3.25Å; T214-A218 WeakPolarHBondContact O-CB 3.31Å; T214-A218 PolarHBondContact O-N 2.93Å
215	M	94.8	Very high	89.2	Confident	74 Å²	74	51.4 Å²	51.4	37%	0.365	27%	0.273	S	S	.	.	H	α-helix	trans	-62.6	-50.1	177.4	-179.4	62.2	80.8	0	0	111.3	I76 G211 W212 I217 A218 V219 V225 V227	I76-M215 HydrophobicContact CD1-CE 4.41Å; I76-M215 HydrophobicContact CD1-SD 4.15Å; G211-M215 WeakPolarHBondContact O-CB 3.41Å; G211-M215 PolarHBondContact O-N 3.41Å; W212-M215 PolarHBondContact O-N 3.45Å; M215-I217 VanDerWaalsContact C-N 3.34Å; M215-I217 PolarHBondContact O-N 3.34Å; M215-A218 WeakPolarHBondContact O-CB 3.47Å; M215-A218 PolarHBondContact O-N 3.34Å; M215-A218 VanDerWaalsContact O-N 3.14Å; M215-V219 WeakPolarHBondContact O-CG2 3.47Å; M215-V219 PolarHBondContact O-N 3.01Å; M215-V225 HydrophobicContact SD-CG1 4.46Å; M215-V227 HydrophobicContact CE-CG2 3.68Å
216	V	91.6	Very high	90.6	Very high	14 Å²	14	46.7 Å²	46.7	9%	0.085	25%	0.251	C	S	.	.	H	α-helix	trans	-62.8	-43.4	-179.4	-178.2	0	0	0	0	111	F189 L192 W212 F213 A218 V219 E220	F189-V216 HydrophobicContact CD1-CB 4.44Å; F189-V216 HydrophobicContact CD1-CG1 3.58Å; F189-V216 HydrophobicContact CE1-CB 4.28Å; F189-V216 HydrophobicContact CE1-CG1 3.32Å; F189-V216 HydrophobicContact CE2-CG1 4.39Å; F189-V216 HydrophobicContact CG-CG1 4.21Å; F189-V216 HydrophobicContact CZ-CB 4.34Å; F189-V216 HydrophobicContact CZ-CG1 3.77Å; L192-V216 HydrophobicContact CD2-CG1 4.05Å; L192-V216 HydrophobicContact CD2-CG2 4.06Å; W212-V216 HydrophobicContact CD2-CG2 4.05Å; W212-V216 HydrophobicContact CE3-CG2 4.4Å; W212-V216 HydrophobicContact CH2-CG2 4.04Å; W212-V216 HydrophobicContact CZ2-CG2 3.62Å; W212-V216 HydrophobicContact CZ3-CG2 4.4Å; W212-V216 WeakPolarHBondContact O-CG2 3.29Å; W212-V216 PolarHBondContact O-N 2.88Å; F213-V216 PolarHBondContact O-N 3.19Å; V216-A218 VanDerWaalsContact C-N 3.33Å; V216-A218 PolarHBondContact O-N 3.03Å; V216-V219 PolarHBondContact O-N 2.93Å; V216-E220 PolarHBondContact O-N 3.21Å
217	I	93.6	Very high	92	Very high	1 Å²	1	46.2 Å²	46.2	1%	0.005	25%	0.245	C	C	.	.	H	α-helix	trans	-61.1	-41.7	174.8	-67.7	163.9	0	0	0	110.9	Y58 V121 I147 V181 F189 F213 M215 V219 E220 L221	Y58-I217 HydrophobicContact CE1-CD1 4.49Å; Y58-I217 HydrophobicContact CE1-CG1 4.21Å; Y58-I217 WeakPolarHBondContact OH-CG1 3.46Å; V121-I217 HydrophobicContact CG1-CD1 4.02Å; V121-I217 HydrophobicContact CG2-CD1 4.23Å; I147-I217 HydrophobicContact CD1-CG2 3.86Å; I147-I217 HydrophobicContact CG2-CD1 4.05Å; V181-I217 HydrophobicContact CG2-CD1 4.43Å; F189-I217 HydrophobicContact CE2-CD1 4.47Å; F189-I217 HydrophobicContact CE2-CG1 4.01Å; F189-I217 HydrophobicContact CZ-CG1 4.12Å; F213-I217 HydrophobicContact CB-CD1 4.47Å; F213-I217 VanDerWaalsContact O-CB 3.32Å; F213-I217 WeakPolarHBondContact O-CB 3.33Å; F213-I217 VanDerWaalsContact O-CD1 3.25Å; F213-I217 WeakPolarHBondContact O-CD1 3.4Å; F213-I217 WeakPolarHBondContact O-CG1 3.46Å; F213-I217 PolarHBondContact O-N 2.98Å; M215-I217 VanDerWaalsContact C-N 3.34Å; M215-I217 PolarHBondContact O-N 3.34Å; I217-V219 PolarHBondContact O-N 3.01Å; I217-E220 WeakPolarHBondContact O-CB 3.23Å; I217-E220 PolarHBondContact O-N 3.18Å; I217-E220 VanDerWaalsContact O-N 3.16Å; I217-L221 HydrophobicContact CG2-CD1 3.59Å; I217-L221 HydrophobicContact CG2-CG 4.14Å; I217-L221 VanDerWaalsContact O-CG 3.32Å; I217-L221 WeakPolarHBondContact O-CG 3.17Å; I217-L221 PolarHBondContact O-N 3.32Å
218	A	93.2	Very high	92.9	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-64.3	-39.2	179.9	0	0	0	0	0	112.4	I76 I99 T214 M215 V216 E220 L221 C222 V225	I76-A218 HydrophobicContact CD1-CB 3.69Å; I76-A218 HydrophobicContact CG1-CB 4.17Å; I99-A218 HydrophobicContact CD1-CB 3.62Å; T214-A218 VanDerWaalsContact O-CB 3.25Å; T214-A218 WeakPolarHBondContact O-CB 3.31Å; T214-A218 PolarHBondContact O-N 2.93Å; M215-A218 WeakPolarHBondContact O-CB 3.47Å; M215-A218 PolarHBondContact O-N 3.34Å; M215-A218 VanDerWaalsContact O-N 3.14Å; V216-A218 VanDerWaalsContact C-N 3.33Å; V216-A218 PolarHBondContact O-N 3.03Å; A218-E220 PolarHBondContact O-N 3Å; A218-L221 PolarHBondContact O-N 3.14Å; A218-C222 VanDerWaalsContact O-CB 3.23Å; A218-C222 WeakPolarHBondContact O-CB 3.43Å; A218-C222 PolarHBondContact O-N 3.26Å; A218-C222 PolarHBondContact O-SG 3.18Å; A218-V225 HydrophobicContact CB-CG1 4.2Å; A218-V225 HydrophobicContact CB-CG2 3.96Å
219	V	88.4	Confident	93.1	Very high	98 Å²	98	44 Å²	44	59%	0.594	26%	0.256	S	S	*	.	H	α-helix	trans	-65.2	-25.4	175.8	173.2	0	0	0	0	112.1	M215 V216 I217	M215-V219 WeakPolarHBondContact O-CG2 3.47Å; M215-V219 PolarHBondContact O-N 3.01Å; V216-V219 PolarHBondContact O-N 2.93Å; I217-V219 PolarHBondContact O-N 3.01Å
220	E	86.8	Confident	93.1	Very high	45 Å²	45	42.5 Å²	42.5	21%	0.21	24%	0.243	C	C	.	.	H	α-helix	trans	-79.7	-34.7	173.3	-66.1	170.7	-157.2	0	0	113.2	Y58 R185 F189 V216 I217 A218	Y58-E220 VanDerWaalsContact CE2-OE2 3.25Å; Y58-E220 WeakPolarHBondContact CE2-OE2 3.43Å; Y58-E220 VanDerWaalsContact CZ-OE2 3.32Å; Y58-E220 VanDerWaalsContact OH-CD 3.27Å; Y58-E220 PolarHBondContact OH-OE1 3.08Å; Y58-E220 PolarHBondContact OH-OE2 3.31Å; R185-E220 IonicContact CZ-OE1 2.83Å; R185-E220 IonicContact NE-OE1 2.76Å; R185-E220 PolarHBondContact NE-OE1 3.48Å; R185-E220 IonicContact NE-OE2 3.65Å; R185-E220 IonicContact NH2-OE1 3.63Å; R185-E220 PolarHBondContact NH2-OE1 3.17Å; R185-E220 IonicContact NH2-OE2 3.32Å; F189-E220 VanDerWaalsContact CE1-OE1 3.3Å; F189-E220 WeakPolarHBondContact CE1-OE1 3.43Å; F189-E220 WeakPolarHBondContact CZ-OE1 3.44Å; V216-E220 PolarHBondContact O-N 3.21Å; I217-E220 WeakPolarHBondContact O-CB 3.23Å; I217-E220 PolarHBondContact O-N 3.18Å; I217-E220 VanDerWaalsContact O-N 3.16Å; A218-E220 PolarHBondContact O-N 3Å
221	L	87.8	Confident	93	Very high	11 Å²	11	43.8 Å²	43.8	6%	0.058	25%	0.251	C	S	.	.	H	α-helix	trans	-89	-14.5	-174.8	-66.7	179	0	0	0	113.1	L67 R70 C71 F119 I147 I217 A218	L67-L221 HydrophobicContact CD2-CD2 4.02Å; L67-L221 HydrophobicContact CG-CD2 4.41Å; R70-L221 CarbonylContact C-O 3.57Å; R70-L221 WeakPolarHBondContact CA-O 3.46Å; C71-L221 PolarHBondContact N-O 3.42Å; F119-L221 HydrophobicContact CD1-CD1 4.12Å; F119-L221 HydrophobicContact CD2-CD1 4.31Å; F119-L221 HydrophobicContact CE1-CD1 4.07Å; F119-L221 HydrophobicContact CE2-CD1 4.25Å; F119-L221 HydrophobicContact CG-CD1 4.25Å; F119-L221 HydrophobicContact CZ-CD1 4.13Å; I147-L221 HydrophobicContact CD1-CD1 4.23Å; I217-L221 HydrophobicContact CG2-CD1 3.59Å; I217-L221 HydrophobicContact CG2-CG 4.14Å; I217-L221 VanDerWaalsContact O-CG 3.32Å; I217-L221 WeakPolarHBondContact O-CG 3.17Å; I217-L221 PolarHBondContact O-N 3.32Å; A218-L221 PolarHBondContact O-N 3.14Å
222	C	88.9	Confident	92.8	Very high	8 Å²	8	44.7 Å²	44.7	5%	0.054	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	141.8	-165.2	-38.2	0	0	0	0	112.7	C71 C74 A218 V225	C71-C222 VanDerWaalsContact O-CA 3.24Å; C71-C222 WeakPolarHBondContact O-CA 2.93Å; C74-C222 HydrophobicContact CB-CB 3.56Å; C74-C222 WeakPolarHBondContact CB-SG 3.47Å; C74-C222 WeakPolarHBondContact SG-CB 3.34Å; C74-C222 CovalentContact SG-SG 2Å; C74-C222 PolarHBondContact SG-SG 3.43Å; A218-C222 VanDerWaalsContact O-CB 3.23Å; A218-C222 WeakPolarHBondContact O-CB 3.43Å; A218-C222 PolarHBondContact O-N 3.26Å; A218-C222 PolarHBondContact O-SG 3.18Å; C222-V225 HydrophobicContact CB-CG2 3.99Å
223	D	87.7	Confident	92.7	Very high	98 Å²	98	44.5 Å²	44.5	52%	0.524	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	-35.8	175.4	-61.2	-32.1	0	0	0	111.2	C71 N72	C71-D223 PolarHBondContact O-N 3.47Å; N72-D223 PolarHBondContact O-N 3.5Å
224	H	92.8	Very high	92.6	Very high	124 Å²	124	47.1 Å²	47.1	57%	0.574	27%	0.267	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-128.3	135.6	174.9	-61.4	-76.8	0	0	0	111.7	N72 C74	N72-H224 PolarHBondContact O-N 3.45Å; C74-H224 PolarHBondContact N-O 2.88Å
225	V	94.3	Very high	92.3	Very high	50 Å²	50	50.3 Å²	50.3	30%	0.303	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	123.8	178.6	-177.5	0	0	0	0	109.7	C74 I76 M215 A218 C222 V227	C74-V225 WeakPolarHBondContact O-CA 3.21Å; I76-V225 HydrophobicContact CD1-CG1 3.61Å; I76-V225 HydrophobicContact CG1-CG1 3.93Å; M215-V225 HydrophobicContact SD-CG1 4.46Å; A218-V225 HydrophobicContact CB-CG1 4.2Å; A218-V225 HydrophobicContact CB-CG2 3.96Å; C222-V225 HydrophobicContact CB-CG2 3.99Å; V225-V227 HydrophobicContact CG1-CG2 4.12Å
226	H	97.5	Very high	92.1	Very high	85 Å²	85	48.6 Å²	48.6	39%	0.394	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	140.8	168.6	-170	91.3	0	0	0	109.7	C74 V75 I76 Y228	C74-H226 PolarHBondContact O-N 3.36Å; V75-H226 CarbonylContact C-O 3.21Å; V75-H226 VanDerWaalsContact CA-O 3.32Å; V75-H226 WeakPolarHBondContact CA-O 3.38Å; V75-H226 HydrophobicContact CG2-CB 4.31Å; I76-H226 PolarHBondContact N-O 3.26Å; H226-Y228 AromaticContact CD2-CD2 3.84Å; H226-Y228 AromaticContact CD2-CE1 3.71Å; H226-Y228 AromaticContact CD2-CE2 3.41Å; H226-Y228 VanDerWaalsContact CD2-CE2 3.41Å; H226-Y228 WeakPolarHBondContact CD2-CE2 3.28Å; H226-Y228 AromaticContact CD2-CZ 3.34Å; H226-Y228 AromaticContact NE2-CD1 3.84Å; H226-Y228 AromaticContact NE2-CE1 3.36Å; H226-Y228 WeakPolarHBondContact NE2-CE1 3.44Å; H226-Y228 AromaticContact NE2-CE2 3.98Å; H226-Y228 AromaticContact NE2-CZ 3.43Å
227	V	97.8	Very high	92.1	Very high	56 Å²	56	51.2 Å²	51.2	34%	0.339	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	127.4	-175	-172.4	0	0	0	0	110.1	I76 T78 M215 V225	I76-V227 HydrophobicContact CB-CG1 4.26Å; I76-V227 HydrophobicContact CB-CG2 4.19Å; I76-V227 HydrophobicContact CD1-CG2 4.12Å; I76-V227 HydrophobicContact CG2-CG1 4.34Å; I76-V227 WeakPolarHBondContact O-CA 3.39Å; T78-V227 HydrophobicContact CG2-CG1 3.86Å; M215-V227 HydrophobicContact CE-CG2 3.68Å; V225-V227 HydrophobicContact CG1-CG2 4.12Å
228	Y	97.4	Very high	92	Very high	24 Å²	24	55.4 Å²	55.4	9%	0.094	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	134.2	175	-68.3	-72.9	0	0	0	111.7	V75 I76 T78 L88 E91 I92 H226	V75-Y228 HydrophobicContact CB-CE2 4.41Å; V75-Y228 HydrophobicContact CG1-CD2 3.27Å; V75-Y228 HydrophobicContact CG1-CE2 3.38Å; V75-Y228 HydrophobicContact CG2-CE2 4.07Å; I76-Y228 PolarHBondContact O-N 3.34Å; T78-Y228 WeakPolarHBondContact CB-O 3.08Å; T78-Y228 WeakPolarHBondContact CG2-O 3.48Å; T78-Y228 PolarHBondContact N-O 2.87Å; T78-Y228 PolarHBondContact OG1-O 3.5Å; L88-Y228 HydrophobicContact CD1-CD1 3.72Å; L88-Y228 HydrophobicContact CD1-CE1 3.96Å; L88-Y228 HydrophobicContact CD2-CE1 4.38Å; E91-Y228 VanDerWaalsContact CD-OH 3.27Å; E91-Y228 PolarHBondContact OE1-OH 2.92Å; I92-Y228 HydrophobicContact CD1-CD2 4.08Å; I92-Y228 HydrophobicContact CD1-CE2 4.4Å; I92-Y228 HydrophobicContact CD1-CG 4.43Å; I92-Y228 HydrophobicContact CG1-CD2 3.72Å; I92-Y228 HydrophobicContact CG1-CE2 3.6Å; I92-Y228 HydrophobicContact CG1-CG 4.47Å; H226-Y228 AromaticContact CD2-CD2 3.84Å; H226-Y228 AromaticContact CD2-CE1 3.71Å; H226-Y228 AromaticContact CD2-CE2 3.41Å; H226-Y228 VanDerWaalsContact CD2-CE2 3.41Å; H226-Y228 WeakPolarHBondContact CD2-CE2 3.28Å; H226-Y228 AromaticContact CD2-CZ 3.34Å; H226-Y228 AromaticContact NE2-CD1 3.84Å; H226-Y228 AromaticContact NE2-CE1 3.36Å; H226-Y228 WeakPolarHBondContact NE2-CE1 3.44Å; H226-Y228 AromaticContact NE2-CE2 3.98Å; H226-Y228 AromaticContact NE2-CZ 3.43Å
229	G	91.5	Very high	91.9	Very high	66 Å²	66	60.5 Å²	60.5	68%	0.68	35%	0.348	S	S	*	.			trans	98.4	0	174.6	0	0	0	0	0	113.4	T78 S80	T78-G229 WeakPolarHBondContact OG1-CA 3.14Å; S80-G229 WeakPolarHBondContact CB-O 3.44Å; S80-G229 PolarHBondContact OG-O 3.05Å

Retrieved 229 of 229 residues in 228.1 ms (Link to these results)

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