RANBM_ARATH Loading...

Ran-binding protein M homolog

AlphaFold DB , UniProt , Accession F4HYD7, Species ARATH (Arabidopsis thaliana, Mouse-ear cress), Gene RANBPM, Length 467 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	39.7	Very low	36.6	Very low	238 Å²	238	133.1 Å²	133.1	100%	1.172	84%	0.844	S	S	*	*				0	99	0	-75.7	174.7	176	0	0	106.6	S3	M1-S3 PolarHBondContact O-N 3.47Å
2	N	39.8	Very low	35.9	Very low	167 Å²	167	136.5 Å²	136.5	89%	0.893	85%	0.851	S	S	*	*			trans	-72.2	111.5	-175.5	-80.6	-6.2	0	0	0	109.1	S4	N2-S4 PolarHBondContact O-N 2.73Å
3	S	38.5	Very low	35.2	Very low	119 Å²	119	130.5 Å²	130.5	83%	0.832	83%	0.833	S	S	*	*			trans	-66.1	107.8	172.2	51.3	0	0	0	0	109.5	M1	M1-S3 PolarHBondContact O-N 3.47Å
4	S	37.6	Very low	34.6	Very low	109 Å²	109	132.7 Å²	132.7	76%	0.762	84%	0.835	S	S	*	*	P	Polyproline II helix	trans	-60.9	143.3	172.9	-47.4	0	0	0	0	110.7	N2	N2-S4 PolarHBondContact O-N 2.73Å
5	P	42.7	Very low	34	Very low	121 Å²	121	132.8 Å²	132.8	79%	0.786	83%	0.834	S	S	*	*	P	Polyproline II helix	trans	-72.4	148.7	-179.9	2.4	12.5	0	0	0	111.3
6	P	39.1	Very low	33.4	Very low	118 Å²	118	131.6 Å²	131.6	77%	0.766	83%	0.825	S	S	*	*	P	Polyproline II helix	trans	-73	153	176	31.2	-32.7	0	0	0	111.4
7	P	35.3	Very low	32.9	Very low	123 Å²	123	132.9 Å²	132.9	80%	0.799	83%	0.825	S	S	*	*	P	Polyproline II helix	trans	-74.8	142.5	-171.7	31	-35.4	0	0	0	112.6	N9	P7-N9 PolarHBondContact O-N 3.3Å
8	A	33.7	Very low	32.5	Very low	106 Å²	106	133.4 Å²	133.4	88%	0.876	82%	0.821	S	S	*	*			trans	-66.5	111	173.2	0	0	0	0	0	110.1
9	N	33.1	Very low	32.1	Very low	157 Å²	157	128.6 Å²	128.6	84%	0.84	80%	0.801	S	S	*	*			trans	-93	105.6	173.4	-146.2	9.4	0	0	0	108.5	P7 A11	P7-N9 PolarHBondContact O-N 3.3Å; N9-A11 PolarHBondContact O-N 2.98Å; N9-A11 VanDerWaalsContact O-N 3.07Å
10	S	29.5	Very low	31.9	Very low	113 Å²	113	131.9 Å²	131.9	79%	0.79	81%	0.806	S	S	*	*			trans	-71.7	90.9	175	54.4	0	0	0	0	109.9	N12	S10-N12 PolarHBondContact O-N 3.38Å
11	A	33.1	Very low	32.1	Very low	93 Å²	93	132.5 Å²	132.5	77%	0.769	81%	0.805	S	S	*	*			trans	-89.1	87.9	170.4	0	0	0	0	0	109.6	N9 G13	N9-A11 PolarHBondContact O-N 2.98Å; N9-A11 VanDerWaalsContact O-N 3.07Å; A11-G13 PolarHBondContact O-N 3.41Å; A11-G13 VanDerWaalsContact O-N 3.1Å
12	N	28.4	Very low	32.2	Very low	174 Å²	174	124.1 Å²	124.1	93%	0.93	78%	0.78	S	S	*	*			trans	-72.5	86.1	156.7	-86.3	-6	0	0	0	107.4	S10	S10-N12 PolarHBondContact O-N 3.38Å
13	G	27.6	Very low	32.8	Very low	59 Å²	59	123.9 Å²	123.9	61%	0.608	77%	0.773	S	S	*	*			trans	-107.4	104.1	167	0	0	0	0	0	108	A11 T15	A11-G13 PolarHBondContact O-N 3.41Å; A11-G13 VanDerWaalsContact O-N 3.1Å; G13-T15 PolarHBondContact O-N 2.88Å
14	D	26.3	Very low	34.2	Very low	161 Å²	161	120.6 Å²	120.6	86%	0.861	75%	0.746	S	S	*	*			trans	-45.1	109	165.6	-96.8	-35.8	0	0	0	108.5	T16	D14-T16 PolarHBondContact O-N 3.16Å
15	T	25	Very low	35.7	Very low	134 Å²	134	118.6 Å²	118.6	82%	0.822	73%	0.726	S	S	*	*			trans	-73.2	92.8	165.3	18.1	0	0	0	0	104.8	G13 N17	G13-T15 PolarHBondContact O-N 2.88Å; T15-N17 PolarHBondContact O-N 3.42Å
16	T	25.5	Very low	37.6	Very low	113 Å²	113	113.4 Å²	113.4	69%	0.693	69%	0.692	S	S	*	*			trans	-55	94	159.1	42.8	0	0	0	0	106.2	D14 N18	D14-T16 PolarHBondContact O-N 3.16Å; T16-N18 PolarHBondContact O-N 3.24Å
17	N	24.2	Very low	39.9	Very low	155 Å²	155	111.3 Å²	111.3	83%	0.829	67%	0.674	S	S	*	*			trans	-64.3	85.4	166.1	-157.8	16.4	0	0	0	104.1	T15 G19	T15-N17 PolarHBondContact O-N 3.42Å; N17-G19 PolarHBondContact O-N 3.04Å
18	N	25.2	Very low	42.3	Very low	141 Å²	141	107.8 Å²	107.8	75%	0.754	65%	0.649	S	S	*	*			trans	-60.9	81.9	161.9	-82.9	-14	0	0	0	103.9	T16 E20	T16-N18 PolarHBondContact O-N 3.24Å; N18-E20 PolarHBondContact O-N 3.2Å; N18-E20 VanDerWaalsContact O-N 3.1Å
19	G	24.9	Very low	45.1	Very low	42 Å²	42	102.9 Å²	102.9	43%	0.433	61%	0.608	S	S	.	*			trans	-44.7	125.4	161.3	0	0	0	0	0	104.6	N17 N21	N17-G19 PolarHBondContact O-N 3.04Å; G19-N21 PolarHBondContact O-N 2.91Å
20	E	28.7	Very low	47.9	Very low	194 Å²	194	95.5 Å²	95.5	91%	0.907	57%	0.568	S	S	*	*			trans	-52.9	83.3	165.5	-65.4	173.6	147.9	0	0	105.4	N18 G22	N18-E20 PolarHBondContact O-N 3.2Å; N18-E20 VanDerWaalsContact O-N 3.1Å; E20-G22 PolarHBondContact O-N 3.43Å
21	N	36.1	Very low	50.8	Low	146 Å²	146	93.9 Å²	93.9	78%	0.781	55%	0.55	S	S	*	*			trans	-56.1	114.5	-172.9	-98.4	-11.3	0	0	0	103.4	G19 Q23	G19-N21 PolarHBondContact O-N 2.91Å; N21-Q23 VanDerWaalsContact C-N 3.26Å; N21-Q23 PolarHBondContact O-N 2.84Å
22	G	41.9	Very low	53.4	Low	62 Å²	62	92 Å²	92	64%	0.639	53%	0.525	S	S	*	.			trans	-49.5	102.7	173.7	0	0	0	0	0	106.1	E20 D24	E20-G22 PolarHBondContact O-N 3.43Å; G22-D24 PolarHBondContact O-N 3.3Å
23	Q	52.4	Low	56.3	Low	162 Å²	162	83.8 Å²	83.8	76%	0.757	48%	0.481	S	S	*	.			trans	-55.5	118.1	178.8	-79.5	177.9	-31	0	0	104.4	N21 L25	N21-Q23 VanDerWaalsContact C-N 3.26Å; N21-Q23 PolarHBondContact O-N 2.84Å; Q23-L25 VanDerWaalsContact C-N 3.33Å; Q23-L25 PolarHBondContact O-N 3.38Å
24	D	68.4	Low	59.3	Low	50 Å²	50	83.6 Å²	83.6	27%	0.267	46%	0.462	S	S	.	.			trans	-56.1	105.8	177.6	-175.3	-10.1	0	0	0	106.3	G22 N26 L27 V332	G22-D24 PolarHBondContact O-N 3.3Å; D24-N26 PolarHBondContact O-N 3.28Å; D24-N26 VanDerWaalsContact OD1-CB 3.29Å; D24-N26 WeakPolarHBondContact OD1-CB 3.36Å; D24-N26 PolarHBondContact OD1-N 3.13Å; D24-N26 VanDerWaalsContact OD1-N 3.12Å; D24-N26 PolarHBondContact OD1-ND2 3.35Å; D24-L27 HydrophobicContact CB-CG 4.36Å; D24-L27 WeakPolarHBondContact O-CB 3.21Å; D24-L27 WeakPolarHBondContact O-CD1 3.15Å; D24-L27 WeakPolarHBondContact O-CG 3.31Å; D24-L27 PolarHBondContact O-N 3.09Å; D24-V332 HydrophobicContact CB-CG2 4.28Å; D24-V332 VanDerWaalsContact OD2-CB 3.26Å; D24-V332 WeakPolarHBondContact OD2-CB 3.21Å; D24-V332 WeakPolarHBondContact OD2-CG2 3.39Å; D24-V332 PolarHBondContact OD2-N 2.77Å
25	L	69.2	Low	62	Low	66 Å²	66	81.4 Å²	81.4	35%	0.346	45%	0.45	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-18.2	-172.8	-72.8	175.1	0	0	0	110.8	Q23 L27 R424 L428	Q23-L25 VanDerWaalsContact C-N 3.33Å; Q23-L25 PolarHBondContact O-N 3.38Å; L25-L27 PolarHBondContact O-N 2.9Å; L25-R424 HydrophobicContact CD1-CB 4.08Å; L25-R424 WeakPolarHBondContact CD1-O 3.32Å; L25-L428 HydrophobicContact CB-CD1 4.11Å; L25-L428 HydrophobicContact CB-CD2 4.3Å; L25-L428 WeakPolarHBondContact O-CD1 3.21Å
26	N	83	Confident	64.6	Low	12 Å²	12	75.6 Å²	75.6	6%	0.064	42%	0.415	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.3	-7.3	175.4	-59.2	-73.8	0	0	0	113.8	D24 N28 F29 V332 V333	D24-N26 PolarHBondContact O-N 3.28Å; D24-N26 VanDerWaalsContact OD1-CB 3.29Å; D24-N26 WeakPolarHBondContact OD1-CB 3.36Å; D24-N26 PolarHBondContact OD1-N 3.13Å; D24-N26 VanDerWaalsContact OD1-N 3.12Å; D24-N26 PolarHBondContact OD1-ND2 3.35Å; N26-N28 PolarHBondContact O-N 3.03Å; N26-F29 HydrophobicContact CB-CD2 3.95Å; N26-F29 HydrophobicContact CB-CE2 4.45Å; N26-F29 WeakPolarHBondContact O-CB 3.43Å; N26-F29 WeakPolarHBondContact O-CD2 3.45Å; N26-F29 PolarHBondContact O-N 3.39Å; N26-V332 HydrophobicContact CB-CB 3.88Å; N26-V332 HydrophobicContact CB-CG1 3.8Å; N26-V332 WeakPolarHBondContact O-CG1 3.37Å; N26-V333 HydrophobicContact CB-CG2 4.41Å
27	L	86.1	Confident	67.1	Low	75 Å²	75	72.3 Å²	72.3	39%	0.393	40%	0.399	S	S	.	.	H	α-helix	trans	-53	-28.7	173.2	-74.7	169.3	0	0	0	112.5	D24 L25 F29 L30 D31 V332	D24-L27 HydrophobicContact CB-CG 4.36Å; D24-L27 WeakPolarHBondContact O-CB 3.21Å; D24-L27 WeakPolarHBondContact O-CD1 3.15Å; D24-L27 WeakPolarHBondContact O-CG 3.31Å; D24-L27 PolarHBondContact O-N 3.09Å; L25-L27 PolarHBondContact O-N 2.9Å; L27-F29 PolarHBondContact O-N 2.84Å; L27-L30 HydrophobicContact CD2-CD1 3.95Å; L27-L30 WeakPolarHBondContact O-CB 3.4Å; L27-L30 PolarHBondContact O-N 3.37Å; L27-L30 VanDerWaalsContact O-N 3.07Å; L27-D31 PolarHBondContact O-N 3Å; L27-V332 HydrophobicContact CD2-CG2 3.81Å; L27-V332 HydrophobicContact CG-CG2 4.2Å
28	N	86.9	Confident	69.3	Low	49 Å²	49	70.6 Å²	70.6	26%	0.262	38%	0.384	S	S	.	.	H	α-helix	trans	-57.3	-31	174.5	-170.1	-92.9	0	0	0	113.4	N26 L30 D31 K32	N26-N28 PolarHBondContact O-N 3.03Å; N28-L30 VanDerWaalsContact C-N 3.33Å; N28-D31 PolarHBondContact O-N 3.48Å; N28-K32 PolarHBondContact O-N 3.49Å; N28-K32 VanDerWaalsContact O-N 3.07Å; N28-K32 WeakPolarHBondContact OD1-CE 3.3Å
29	F	91.2	Very high	71	Confident	3 Å²	3	69 Å²	69	1%	0.013	37%	0.367	C	S	.	.	H	α-helix	trans	-69.4	-31.7	178.3	-68.2	-77.1	0	0	0	112.1	N26 L27 D31 K32 I33 L336 L403 D406 A407 A410 L428	N26-F29 HydrophobicContact CB-CD2 3.95Å; N26-F29 HydrophobicContact CB-CE2 4.45Å; N26-F29 WeakPolarHBondContact O-CB 3.43Å; N26-F29 WeakPolarHBondContact O-CD2 3.45Å; N26-F29 PolarHBondContact O-N 3.39Å; L27-F29 PolarHBondContact O-N 2.84Å; F29-D31 VanDerWaalsContact C-N 3.34Å; F29-K32 HydrophobicContact CD1-CD 4.15Å; F29-K32 WeakPolarHBondContact O-CB 3.36Å; F29-K32 PolarHBondContact O-N 3.16Å; F29-I33 PolarHBondContact O-N 3.24Å; F29-I33 VanDerWaalsContact O-N 3.15Å; F29-L336 HydrophobicContact CB-CD1 3.82Å; F29-L403 HydrophobicContact CB-CD2 4.06Å; F29-L403 HydrophobicContact CD1-CD2 4.26Å; F29-L403 HydrophobicContact CD1-CG 4.32Å; F29-D406 HydrophobicContact CE1-CB 3.63Å; F29-D406 HydrophobicContact CZ-CB 4.26Å; F29-A407 HydrophobicContact CB-CB 4.34Å; F29-A407 HydrophobicContact CD1-CB 3.97Å; F29-A407 HydrophobicContact CD2-CB 3.7Å; F29-A407 HydrophobicContact CE1-CB 4.19Å; F29-A407 HydrophobicContact CE2-CB 3.94Å; F29-A407 HydrophobicContact CG-CB 3.74Å; F29-A407 HydrophobicContact CZ-CB 4.18Å; F29-A410 HydrophobicContact CE2-CB 3.94Å; F29-A410 HydrophobicContact CZ-CB 3.93Å; F29-L428 HydrophobicContact CE2-CD2 4.04Å
30	L	92.8	Very high	72.5	Confident	1 Å²	1	73.9 Å²	73.9	1%	0.005	38%	0.384	C	S	.	.	H	α-helix	trans	-65.6	-40.2	173	-54.6	-175.5	0	0	0	110.9	L27 N28 K32 I33 R34 V332 F335 L336 G370 F371 I374	L27-L30 HydrophobicContact CD2-CD1 3.95Å; L27-L30 WeakPolarHBondContact O-CB 3.4Å; L27-L30 PolarHBondContact O-N 3.37Å; L27-L30 VanDerWaalsContact O-N 3.07Å; N28-L30 VanDerWaalsContact C-N 3.33Å; L30-K32 VanDerWaalsContact C-N 3.3Å; L30-K32 PolarHBondContact O-N 3.43Å; L30-I33 WeakPolarHBondContact O-CB 3.39Å; L30-I33 PolarHBondContact O-N 3.07Å; L30-R34 WeakPolarHBondContact O-CG 3.34Å; L30-R34 PolarHBondContact O-N 3.43Å; L30-V332 HydrophobicContact CD1-CG1 4.41Å; L30-V332 HydrophobicContact CD1-CG2 4.28Å; L30-V332 HydrophobicContact CD2-CG1 3.96Å; L30-V332 HydrophobicContact CG-CG1 3.99Å; L30-F335 HydrophobicContact CD2-CD1 3.7Å; L30-F335 HydrophobicContact CD2-CE1 3.73Å; L30-L336 HydrophobicContact CD2-CD2 3.98Å; L30-L336 HydrophobicContact CD2-CG 4.38Å; L30-G370 WeakPolarHBondContact CD1-O 3.48Å; L30-F371 HydrophobicContact CD1-CD1 3.88Å; L30-F371 HydrophobicContact CD1-CE1 3.73Å; L30-I374 HydrophobicContact CB-CD1 3.94Å; L30-I374 HydrophobicContact CD2-CD1 3.84Å; L30-I374 HydrophobicContact CG-CD1 4.39Å
31	D	90.1	Very high	73.6	Confident	79 Å²	79	68.3 Å²	68.3	42%	0.422	37%	0.37	S	S	.	.	H	α-helix	trans	-65.4	-34.8	175.3	-65.5	-26.7	0	0	0	112	L27 N28 F29 I33 R34 L35	L27-D31 PolarHBondContact O-N 3Å; N28-D31 PolarHBondContact O-N 3.48Å; F29-D31 VanDerWaalsContact C-N 3.34Å; D31-I33 VanDerWaalsContact C-N 3.34Å; D31-I33 PolarHBondContact O-N 3.5Å; D31-R34 PolarHBondContact O-N 2.97Å; D31-R34 IonicContact OD1-NH1 2.68Å; D31-R34 PolarHBondContact OD1-NH1 3.45Å; D31-R34 VanDerWaalsContact OD1-NH1 3.15Å; D31-L35 WeakPolarHBondContact O-CB 3.4Å; D31-L35 VanDerWaalsContact O-CG 3.24Å; D31-L35 WeakPolarHBondContact O-CG 3.39Å; D31-L35 PolarHBondContact O-N 3.35Å
32	K	88.5	Confident	74.3	Confident	53 Å²	53	69.8 Å²	69.8	23%	0.23	37%	0.37	C	S	.	.	H	α-helix	trans	-61.9	-39.7	172.8	-72	179.4	178.1	-177.1	0	111.9	N28 F29 L30 L35 S36 L403	N28-K32 PolarHBondContact O-N 3.49Å; N28-K32 VanDerWaalsContact O-N 3.07Å; N28-K32 WeakPolarHBondContact OD1-CE 3.3Å; F29-K32 HydrophobicContact CD1-CD 4.15Å; F29-K32 WeakPolarHBondContact O-CB 3.36Å; F29-K32 PolarHBondContact O-N 3.16Å; L30-K32 VanDerWaalsContact C-N 3.3Å; L30-K32 PolarHBondContact O-N 3.43Å; K32-L35 PolarHBondContact O-N 2.88Å; K32-S36 PolarHBondContact O-N 2.94Å; K32-S36 PolarHBondContact O-OG 3.47Å; K32-L403 HydrophobicContact CB-CD1 3.56Å; K32-L403 HydrophobicContact CB-CG 4.42Å
33	I	89.2	Confident	74.9	Confident	2 Å²	2	75.6 Å²	75.6	1%	0.01	38%	0.38	C	S	.	.	H	α-helix	trans	-63	-46.3	173.9	-65.2	174.5	0	0	0	110.8	F29 L30 D31 L35 S36 A37 L336 I374 Y394 F395 L403	F29-I33 PolarHBondContact O-N 3.24Å; F29-I33 VanDerWaalsContact O-N 3.15Å; L30-I33 WeakPolarHBondContact O-CB 3.39Å; L30-I33 PolarHBondContact O-N 3.07Å; D31-I33 VanDerWaalsContact C-N 3.34Å; D31-I33 PolarHBondContact O-N 3.5Å; I33-L35 PolarHBondContact O-N 3.47Å; I33-S36 WeakPolarHBondContact CA-OG 3.32Å; I33-S36 PolarHBondContact O-N 2.66Å; I33-S36 VanDerWaalsContact O-N 3.1Å; I33-S36 PolarHBondContact O-OG 3.44Å; I33-A37 PolarHBondContact O-N 2.94Å; I33-A37 VanDerWaalsContact O-N 3.13Å; I33-L336 HydrophobicContact CD1-CD2 3.43Å; I33-L336 VanDerWaalsContact CD1-CD2 3.43Å; I33-I374 HydrophobicContact CB-CD1 4.32Å; I33-I374 HydrophobicContact CD1-CD1 4.37Å; I33-I374 HydrophobicContact CG2-CD1 4.26Å; I33-I374 HydrophobicContact CG2-CG1 4.23Å; I33-Y394 HydrophobicContact CG2-CE2 4.47Å; I33-F395 HydrophobicContact CG2-CE1 3.52Å; I33-F395 HydrophobicContact CG2-CZ 3.51Å; I33-L403 HydrophobicContact CD1-CD2 4.01Å; I33-L403 HydrophobicContact CG1-CD1 3.62Å; I33-L403 HydrophobicContact CG1-CD2 3.84Å; I33-L403 HydrophobicContact CG1-CG 4.42Å
34	R	90.1	Very high	75.2	Confident	55 Å²	55	71.1 Å²	71.1	21%	0.208	36%	0.362	C	S	.	.	H	α-helix	trans	-62.7	-31.8	177.1	-67.3	173.2	178.2	116.6	10.8	112.8	L30 D31 K38 G370 D373	L30-R34 WeakPolarHBondContact O-CG 3.34Å; L30-R34 PolarHBondContact O-N 3.43Å; D31-R34 PolarHBondContact O-N 2.97Å; D31-R34 IonicContact OD1-NH1 2.68Å; D31-R34 PolarHBondContact OD1-NH1 3.45Å; D31-R34 VanDerWaalsContact OD1-NH1 3.15Å; R34-K38 WeakPolarHBondContact O-CG 3.32Å; R34-K38 PolarHBondContact O-N 3.48Å; R34-G370 PolarHBondContact NH2-O 3.5Å; R34-D373 IonicContact CZ-OD1 3.4Å; R34-D373 IonicContact CZ-OD2 3.34Å; R34-D373 IonicContact NE-OD1 2.78Å; R34-D373 IonicContact NE-OD2 2.94Å; R34-D373 PolarHBondContact NE-OD2 2.9Å; R34-D373 IonicContact NH2-OD1 3.6Å; R34-D373 PolarHBondContact NH2-OD1 2.85Å; R34-D373 IonicContact NH2-OD2 2.68Å; R34-D373 PolarHBondContact NH2-OD2 3.33Å
35	L	83.5	Confident	74.8	Confident	116 Å²	116	77.2 Å²	77.2	61%	0.607	39%	0.388	S	S	*	.	H	α-helix	trans	-73.8	-32.8	175	-72.6	170.6	0	0	0	112.2	D31 K32 I33 A37 K38 R39	D31-L35 WeakPolarHBondContact O-CB 3.4Å; D31-L35 VanDerWaalsContact O-CG 3.24Å; D31-L35 WeakPolarHBondContact O-CG 3.39Å; D31-L35 PolarHBondContact O-N 3.35Å; K32-L35 PolarHBondContact O-N 2.88Å; I33-L35 PolarHBondContact O-N 3.47Å; L35-A37 VanDerWaalsContact C-N 3.33Å; L35-K38 PolarHBondContact O-N 3.43Å; L35-R39 PolarHBondContact O-N 2.99Å
36	S	78.3	Confident	74.9	Confident	12 Å²	12	77.2 Å²	77.2	8%	0.084	41%	0.405	C	S	.	.	H	α-helix	trans	-63.4	-39.8	170.6	35.8	0	0	0	0	112.1	K32 I33 K38 R39	K32-S36 PolarHBondContact O-N 2.94Å; K32-S36 PolarHBondContact O-OG 3.47Å; I33-S36 WeakPolarHBondContact CA-OG 3.32Å; I33-S36 PolarHBondContact O-N 2.66Å; I33-S36 VanDerWaalsContact O-N 3.1Å; I33-S36 PolarHBondContact O-OG 3.44Å; S36-K38 PolarHBondContact O-N 3.02Å; S36-R39 WeakPolarHBondContact O-CB 3.38Å; S36-R39 WeakPolarHBondContact O-CG 3.37Å; S36-R39 PolarHBondContact O-N 3.18Å
37	A	77.7	Confident	75.1	Confident	44 Å²	44	79.3 Å²	79.3	36%	0.364	41%	0.414	S	S	.	.	H	α-helix	trans	-61.1	-29.3	175.5	0	0	0	0	0	113.2	I33 L35 Y394	I33-A37 PolarHBondContact O-N 2.94Å; I33-A37 VanDerWaalsContact O-N 3.13Å; L35-A37 VanDerWaalsContact C-N 3.33Å; A37-Y394 HydrophobicContact CB-CD1 4.5Å; A37-Y394 HydrophobicContact CB-CE1 3.74Å; A37-Y394 HydrophobicContact CB-CE2 4.05Å; A37-Y394 VanDerWaalsContact CB-CZ 3.48Å; A37-Y394 WeakPolarHBondContact CB-OH 3.34Å
38	K	70.5	Confident	75.4	Confident	119 Å²	119	81.9 Å²	81.9	52%	0.517	42%	0.424	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.1	7.2	-177.4	-68.7	177.1	-176.5	172.3	0	114.1	R34 L35 S36 D40 A41	R34-K38 WeakPolarHBondContact O-CG 3.32Å; R34-K38 PolarHBondContact O-N 3.48Å; L35-K38 PolarHBondContact O-N 3.43Å; S36-K38 PolarHBondContact O-N 3.02Å; K38-D40 PolarHBondContact O-N 3.23Å; K38-A41 PolarHBondContact O-N 3.04Å
39	R	62.4	Low	75.8	Confident	108 Å²	108	84.3 Å²	84.3	41%	0.408	44%	0.437	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.2	-31.1	-175	-81.3	175.1	-174.9	171	8.9	113	L35 S36 E397 S399	L35-R39 PolarHBondContact O-N 2.99Å; S36-R39 WeakPolarHBondContact O-CB 3.38Å; S36-R39 WeakPolarHBondContact O-CG 3.37Å; S36-R39 PolarHBondContact O-N 3.18Å; R39-E397 IonicContact CZ-OE2 3.56Å; R39-E397 IonicContact NH1-OE1 2.99Å; R39-E397 IonicContact NH1-OE2 3.51Å; R39-E397 PolarHBondContact NH1-OE2 3.36Å; R39-S399 PolarHBondContact NH2-OG 2.92Å
40	D	55	Low	76.1	Confident	144 Å²	144	84.4 Å²	84.4	77%	0.77	44%	0.438	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96	-12.8	-178.4	-57.2	-31.7	0	0	0	114.2	K38	K38-D40 PolarHBondContact O-N 3.23Å
41	A	51.9	Low	76.4	Confident	76 Å²	76	87 Å²	87	63%	0.628	45%	0.454	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.6	-4.1	-161.4	0	0	0	0	0	115.9	K38	K38-A41 PolarHBondContact O-N 3.04Å
42	K	50.7	Low	76.7	Confident	178 Å²	178	85.9 Å²	85.9	77%	0.774	45%	0.446	S	S	*	.			trans	-139.9	62.7	-177.1	-70.3	-167.5	176.9	-170.1	0	112.7	D44	K42-D44 PolarHBondContact O-N 2.79Å
43	E	54.8	Low	77.2	Confident	183 Å²	183	83.4 Å²	83.4	86%	0.855	44%	0.435	S	S	*	.			trans	-67.3	113.8	149.1	-67.5	-168.1	163.6	0	0	107	E45	E43-E45 PolarHBondContact O-N 2.64Å
44	D	58.4	Low	77.4	Confident	69 Å²	69	85 Å²	85	37%	0.369	44%	0.444	S	S	.	.			trans	-35.4	118.3	174.3	-172.1	15.9	0	0	0	110.3	K42 G46 K96 R458	K42-D44 PolarHBondContact O-N 2.79Å; D44-G46 PolarHBondContact O-N 2.98Å; D44-K96 VanDerWaalsContact CG-NZ 3.3Å; D44-K96 IonicContact OD1-NZ 3.72Å; D44-K96 PolarHBondContact OD1-NZ 3.46Å; D44-K96 IonicContact OD2-NZ 2.69Å; D44-K96 PolarHBondContact OD2-NZ 3.36Å; D44-R458 IonicContact OD2-NH2 3.95Å; D44-R458 PolarHBondContact OD2-NH2 3.36Å
45	E	60.7	Low	77.3	Confident	177 Å²	177	85.3 Å²	85.3	83%	0.827	45%	0.452	S	S	*	.			trans	-48.5	114.2	177.1	-69.9	-177.2	-179	0	0	108.1	E43	E43-E45 PolarHBondContact O-N 2.64Å
46	G	71.8	Confident	77.2	Confident	67 Å²	67	87.3 Å²	87.3	69%	0.691	46%	0.461	S	S	*	.	P	Polyproline II helix	trans	-58.4	143.9	-175.5	0	0	0	0	0	110.5	D44 E48	D44-G46 PolarHBondContact O-N 2.98Å; G46-E48 PolarHBondContact O-N 3.05Å
47	E	87.2	Confident	77	Confident	55 Å²	55	89.8 Å²	89.8	26%	0.257	47%	0.473	S	S	.	.	P	Polyproline II helix	trans	-68.4	130	171.5	-65.8	-179.6	104.2	0	0	109.7	L49 P94 I95 K96	E47-L49 PolarHBondContact O-N 3.14Å; E47-P94 HydrophobicContact CB-CB 4.35Å; E47-P94 WeakPolarHBondContact OE2-CB 3.14Å; E47-I95 WeakPolarHBondContact OE1-CG1 3.41Å; E47-I95 PolarHBondContact OE1-N 3Å; E47-I95 PolarHBondContact OE2-N 2.74Å; E47-I95 VanDerWaalsContact OE2-N 3.09Å; E47-K96 HydrophobicContact CG-CD 4.07Å; E47-K96 HydrophobicContact CG-CG 4.32Å; E47-K96 WeakPolarHBondContact OE2-CA 3.5Å; E47-K96 WeakPolarHBondContact OE2-CB 3.35Å; E47-K96 WeakPolarHBondContact OE2-CG 3.27Å; E47-K96 PolarHBondContact OE2-N 2.92Å
48	E	92.3	Very high	76.8	Confident	130 Å²	130	89.1 Å²	89.1	61%	0.607	47%	0.466	S	S	*	.	P	Polyproline II helix	trans	-65.4	121.9	172.7	-66.2	-173.8	147.9	0	0	110.3	G46 K91	G46-E48 PolarHBondContact O-N 3.05Å; E48-K91 HydrophobicContact CB-CD 4.11Å; E48-K91 HydrophobicContact CB-CG 4.26Å; E48-K91 WeakPolarHBondContact OE2-CD 3.33Å; E48-K91 WeakPolarHBondContact OE2-CE 3.28Å; E48-K91 IonicContact OE2-NZ 3.29Å; E48-K91 PolarHBondContact OE2-NZ 2.94Å
49	L	95.4	Very high	77	Confident	100 Å²	100	83.8 Å²	83.8	52%	0.524	45%	0.445	S	S	.	.	P	Polyproline II helix	trans	-86.2	149.2	-174.2	-58.6	179.9	0	0	0	112.4	E47 T51 P94	E47-L49 PolarHBondContact O-N 3.14Å; L49-T51 PolarHBondContact O-N 3.26Å; L49-P94 HydrophobicContact CD2-CB 3.7Å; L49-P94 HydrophobicContact CD2-CG 3.62Å
50	P	97.8	Very high	77.3	Confident	5 Å²	5	81.8 Å²	81.8	3%	0.032	46%	0.458	C	S	.	.	P	Polyproline II helix	trans	-56.2	127.8	166.8	-25.3	36.1	0	0	0	110.6	A89 K91 P92 Y100 P199 F214	P50-A89 HydrophobicContact CB-CB 3.92Å; P50-K91 HydrophobicContact CG-CB 4.47Å; P50-K91 WeakPolarHBondContact CG-O 3.46Å; P50-P92 VanDerWaalsContact CD-O 3.29Å; P50-P92 WeakPolarHBondContact CD-O 3.48Å; P50-P92 WeakPolarHBondContact CG-O 3.4Å; P50-Y100 HydrophobicContact CG-CE2 4.16Å; P50-Y100 WeakPolarHBondContact CG-OH 3.44Å; P50-P199 HydrophobicContact CB-CG 4.25Å; P50-P199 HydrophobicContact CG-CG 4.04Å; P50-F214 HydrophobicContact CB-CB 4.5Å; P50-F214 HydrophobicContact CB-CD1 3.92Å; P50-F214 HydrophobicContact CB-CE1 4.4Å; P50-F214 HydrophobicContact CB-CG 4.22Å; P50-F214 WeakPolarHBondContact O-CB 3.45Å
51	T	97.5	Very high	78.4	Confident	56 Å²	56	77.3 Å²	77.3	34%	0.344	45%	0.445	S	S	.	.			trans	-134	-21.1	-175.3	41.1	0	0	0	0	113.2	L49 N90 K216	L49-T51 PolarHBondContact O-N 3.26Å; T51-N90 PolarHBondContact N-OD1 3.24Å; T51-N90 PolarHBondContact OG1-ND2 3.34Å; T51-N90 VanDerWaalsContact OG1-ND2 3.07Å; T51-K216 VanDerWaalsContact O-CE 3.27Å; T51-K216 WeakPolarHBondContact O-CE 3.44Å; T51-K216 PolarHBondContact O-NZ 3.04Å
52	E	97.8	Very high	80	Confident	54 Å²	54	74.9 Å²	74.9	25%	0.252	42%	0.42	S	S	.	.	S	Bend	trans	-158.8	167.7	-177.9	57	-179.8	-136.8	0	0	111	K69 A89 N90	E52-K69 HydrophobicContact CB-CB 3.8Å; E52-K69 HydrophobicContact CB-CD 4.36Å; E52-K69 VanDerWaalsContact CD-CD 3.43Å; E52-K69 HydrophobicContact CG-CD 4.24Å; E52-K69 WeakPolarHBondContact OE1-CD 3.45Å; E52-K69 IonicContact OE1-NZ 2.81Å; E52-K69 PolarHBondContact OE1-NZ 3.39Å; E52-K69 IonicContact OE2-NZ 3.46Å; E52-A89 CarbonylContact O-C 3.54Å; E52-A89 WeakPolarHBondContact O-CA 3.45Å; E52-N90 HydrophobicContact CG-CB 4.01Å; E52-N90 WeakPolarHBondContact CG-ND2 3.36Å; E52-N90 PolarHBondContact N-OD1 3.33Å; E52-N90 PolarHBondContact O-N 2.97Å; E52-N90 PolarHBondContact O-OD1 2.84Å; E52-N90 VanDerWaalsContact O-OD1 3.05Å
53	L	97.5	Very high	81.9	Confident	1 Å²	1	67 Å²	67	1%	0.005	39%	0.387	C	S	.	.	B	Isolated β-bridge	trans	-76	139.2	174.8	-67.1	169.6	0	0	0	111.5	T55 V65 K69 V72 V87 V212 F214	L53-T55 PolarHBondContact O-N 3.46Å; L53-V65 HydrophobicContact CB-CG1 4.11Å; L53-V65 HydrophobicContact CD1-CG1 3.96Å; L53-K69 VanDerWaalsContact CB-O 3.29Å; L53-K69 WeakPolarHBondContact CB-O 3.5Å; L53-K69 WeakPolarHBondContact CG-O 3.36Å; L53-K69 PolarHBondContact N-O 3.48Å; L53-V72 HydrophobicContact CD1-CG2 3.38Å; L53-V87 HydrophobicContact CB-CG2 4Å; L53-V87 HydrophobicContact CD1-CG1 4.28Å; L53-V87 HydrophobicContact CD2-CG1 3.8Å; L53-V87 HydrophobicContact CD2-CG2 4.16Å; L53-V212 HydrophobicContact CD1-CG2 3.98Å; L53-V212 HydrophobicContact CD2-CG2 4.18Å; L53-V212 HydrophobicContact CG-CG2 4.36Å; L53-F214 HydrophobicContact CD2-CE2 4.28Å; L53-F214 HydrophobicContact CD2-CZ 3.99Å; L53-F214 HydrophobicContact CG-CE2 4.36Å
54	N	94.3	Very high	83.6	Confident	36 Å²	36	62.2 Å²	62.2	19%	0.193	37%	0.37	C	S	.	.			trans	-77.6	103.5	176.3	-172.1	-12.5	0	0	0	110.5	I56 N57 V87 Q88	N54-I56 WeakPolarHBondContact OD1-CB 3.39Å; N54-I56 PolarHBondContact OD1-N 3.24Å; N54-N57 PolarHBondContact OD1-N 3.21Å; N54-V87 WeakPolarHBondContact O-CG2 3.36Å; N54-Q88 WeakPolarHBondContact CB-O 3.33Å; N54-Q88 PolarHBondContact N-O 3.36Å
55	T	87.4	Confident	85.4	Confident	61 Å²	61	60 Å²	60	37%	0.374	36%	0.359	S	S	.	.	S	Bend	trans	-76.9	-21.3	179.2	56.2	0	0	0	0	113.5	L53 S58 V65 K69	L53-T55 PolarHBondContact O-N 3.46Å; T55-S58 PolarHBondContact O-OG 2.76Å; T55-S58 VanDerWaalsContact O-OG 3.12Å; T55-V65 HydrophobicContact CG2-CB 4.04Å; T55-V65 HydrophobicContact CG2-CG1 4.03Å; T55-V65 HydrophobicContact CG2-CG2 4.31Å; T55-K69 HydrophobicContact CG2-CD 4.29Å; T55-K69 HydrophobicContact CG2-CG 4.07Å
56	I	82.7	Confident	87	Confident	159 Å²	159	53 Å²	53	82%	0.815	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.8	-46.1	-178.1	-57.5	173.3	0	0	0	110.2	N54 S58	N54-I56 WeakPolarHBondContact OD1-CB 3.39Å; N54-I56 PolarHBondContact OD1-N 3.24Å; I56-S58 PolarHBondContact O-N 3.39Å
57	N	72.2	Confident	88.1	Confident	63 Å²	63	56.3 Å²	56.3	34%	0.337	34%	0.339	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.9	49.4	-178.5	-163.4	20.8	0	0	0	111.8	N54 M126	N54-N57 PolarHBondContact OD1-N 3.21Å; N57-M126 WeakPolarHBondContact ND2-CE 3.34Å; N57-M126 VanDerWaalsContact O-CE 3.26Å; N57-M126 WeakPolarHBondContact O-CE 3.4Å
58	S	74.2	Confident	88.5	Confident	30 Å²	30	58.3 Å²	58.3	21%	0.21	35%	0.351	C	S	.	.	S	Bend	trans	-109.1	162	179.1	68.9	0	0	0	0	111.3	T55 I56 G60	T55-S58 PolarHBondContact O-OG 2.76Å; T55-S58 VanDerWaalsContact O-OG 3.12Å; I56-S58 PolarHBondContact O-N 3.39Å; S58-G60 PolarHBondContact O-N 2.95Å
59	A	75.3	Confident	88.7	Confident	8 Å²	8	55.2 Å²	55.2	7%	0.066	34%	0.336	C	S	.	.			trans	-60	-2.2	-178.6	0	0	0	0	0	116	G61 F62 V84 V86 M126	A59-G61 PolarHBondContact O-N 3.45Å; A59-F62 HydrophobicContact CB-CD2 4.39Å; A59-V84 WeakPolarHBondContact CB-O 3.33Å; A59-V86 HydrophobicContact CB-CG1 4.17Å; A59-V86 PolarHBondContact N-O 2.8Å; A59-M126 VanDerWaalsContact CA-O 3.31Å; A59-M126 WeakPolarHBondContact CA-O 3.37Å; A59-M126 HydrophobicContact CB-CB 4.5Å; A59-M126 WeakPolarHBondContact CB-O 3.49Å
60	G	67.9	Low	88.8	Confident	66 Å²	66	51.9 Å²	51.9	68%	0.68	32%	0.318	S	S	*	.	S	Bend	trans	38.4	72.8	167.5	0	0	0	0	0	114.7	S58	S58-G60 PolarHBondContact O-N 2.95Å
61	G	78	Confident	88.8	Confident	49 Å²	49	52 Å²	52	51%	0.505	32%	0.319	S	S	.	.	S	Bend	trans	145.2	-27.4	174.7	0	0	0	0	0	115.3	A59	A59-G61 PolarHBondContact O-N 3.45Å
62	F	85.9	Confident	88.7	Confident	25 Å²	25	49.3 Å²	49.3	11%	0.11	30%	0.303	C	S	.	.	S	Bend	trans	-100.9	-21.1	-179	-54.8	-61.2	0	0	0	113.7	A59 Y74 T75 N76 D83 R127	A59-F62 HydrophobicContact CB-CD2 4.39Å; F62-Y74 HydrophobicContact CB-CE2 4.05Å; F62-Y74 WeakPolarHBondContact O-CD2 3.43Å; F62-T75 PolarHBondContact O-N 3.21Å; F62-N76 HydrophobicContact CD1-CB 4.39Å; F62-D83 HydrophobicContact CD1-CB 3.54Å; F62-D83 HydrophobicContact CE1-CB 3.38Å; F62-D83 VanDerWaalsContact CE1-OD1 3.25Å; F62-D83 WeakPolarHBondContact CE1-OD1 3.31Å; F62-D83 HydrophobicContact CG-CB 4.24Å; F62-D83 HydrophobicContact CZ-CB 3.96Å; F62-D83 VanDerWaalsContact CZ-OD1 3.27Å; F62-D83 WeakPolarHBondContact CZ-OD1 3.45Å; F62-R127 HydrophobicContact CE2-CG 4.47Å
63	L	90.1	Very high	88.6	Confident	12 Å²	12	50.4 Å²	50.4	6%	0.063	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	161.9	176.4	65.9	75.7	0	0	0	111.6	V65 V72 K73 V87 V203	L63-V65 HydrophobicContact CD1-CG2 3.67Å; L63-V72 HydrophobicContact CB-CG1 3.88Å; L63-V72 HydrophobicContact CD1-CG1 4.34Å; L63-V72 HydrophobicContact CD2-CG1 3.58Å; L63-V72 HydrophobicContact CG-CG1 4.14Å; L63-K73 CarbonylContact C-O 3.58Å; L63-K73 WeakPolarHBondContact CA-O 3.33Å; L63-K73 WeakPolarHBondContact CB-O 3.44Å; L63-V87 HydrophobicContact CD2-CB 4.15Å; L63-V87 HydrophobicContact CD2-CG1 4.26Å; L63-V203 HydrophobicContact CB-CG2 4.14Å
64	V	92	Very high	88.4	Confident	83 Å²	83	50.5 Å²	50.5	50%	0.503	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	134.2	163.7	171.6	0	0	0	0	108.2	K73 T75	V64-K73 PolarHBondContact N-O 2.65Å; V64-K73 PolarHBondContact O-N 3.26Å; V64-T75 HydrophobicContact CB-CG2 3.86Å; V64-T75 HydrophobicContact CG2-CG2 3.53Å
65	V	94.7	Very high	88	Confident	24 Å²	24	52.3 Å²	52.3	15%	0.145	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	135.1	169.9	-173.5	0	0	0	0	108.2	L53 T55 L63 K69 S71 V87	L53-V65 HydrophobicContact CB-CG1 4.11Å; L53-V65 HydrophobicContact CD1-CG1 3.96Å; T55-V65 HydrophobicContact CG2-CB 4.04Å; T55-V65 HydrophobicContact CG2-CG1 4.03Å; T55-V65 HydrophobicContact CG2-CG2 4.31Å; L63-V65 HydrophobicContact CD1-CG2 3.67Å; V65-K69 HydrophobicContact CG1-CB 4.43Å; V65-S71 VanDerWaalsContact CA-O 3.28Å; V65-S71 WeakPolarHBondContact CA-O 3.35Å; V65-S71 WeakPolarHBondContact CG1-O 3.45Å; V65-V87 HydrophobicContact CG2-CG2 4.41Å
66	S	94.9	Very high	87.6	Confident	29 Å²	29	51.3 Å²	51.3	20%	0.203	31%	0.312	C	S	.	.			trans	-63	159.7	175.5	50.9	0	0	0	0	112.6	D68 K69 S71	S66-D68 VanDerWaalsContact C-N 3.25Å; S66-D68 WeakPolarHBondContact CB-OD1 3.39Å; S66-D68 PolarHBondContact O-N 3.47Å; S66-D68 PolarHBondContact OG-OD1 3.2Å; S66-K69 WeakPolarHBondContact O-CA 3.28Å; S66-K69 PolarHBondContact O-N 2.79Å; S66-S71 PolarHBondContact N-O 2.81Å; S66-S71 WeakPolarHBondContact OG-CA 3.42Å; S66-S71 WeakPolarHBondContact OG-CB 3.35Å; S66-S71 PolarHBondContact OG-N 2.7Å; S66-S71 PolarHBondContact OG-O 3.04Å
67	P	94.6	Very high	87	Confident	137 Å²	137	48 Å²	48	89%	0.89	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.4	-29.6	179.1	-26.9	35.8	0	0	0	115.1	K69	P67-K69 PolarHBondContact O-N 3.35Å
68	D	95.6	Very high	86.3	Confident	97 Å²	97	50.2 Å²	50.2	52%	0.519	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.1	-4	174.5	69.3	-4.9	0	0	0	113.3	S66 L70	S66-D68 VanDerWaalsContact C-N 3.25Å; S66-D68 WeakPolarHBondContact CB-OD1 3.39Å; S66-D68 PolarHBondContact O-N 3.47Å; S66-D68 PolarHBondContact OG-OD1 3.2Å; D68-L70 PolarHBondContact O-N 3.16Å; D68-L70 PolarHBondContact OD1-N 3.38Å
69	K	97.1	Very high	85.8	Confident	65 Å²	65	52.9 Å²	52.9	28%	0.283	32%	0.322	S	S	.	.	S	Bend	trans	56.6	29.4	-178.7	-56.4	178.5	-174	178.1	0	114.2	E52 L53 T55 V65 S66 P67	E52-K69 HydrophobicContact CB-CB 3.8Å; E52-K69 HydrophobicContact CB-CD 4.36Å; E52-K69 VanDerWaalsContact CD-CD 3.43Å; E52-K69 HydrophobicContact CG-CD 4.24Å; E52-K69 WeakPolarHBondContact OE1-CD 3.45Å; E52-K69 IonicContact OE1-NZ 2.81Å; E52-K69 PolarHBondContact OE1-NZ 3.39Å; E52-K69 IonicContact OE2-NZ 3.46Å; L53-K69 VanDerWaalsContact CB-O 3.29Å; L53-K69 WeakPolarHBondContact CB-O 3.5Å; L53-K69 WeakPolarHBondContact CG-O 3.36Å; L53-K69 PolarHBondContact N-O 3.48Å; T55-K69 HydrophobicContact CG2-CD 4.29Å; T55-K69 HydrophobicContact CG2-CG 4.07Å; V65-K69 HydrophobicContact CG1-CB 4.43Å; S66-K69 WeakPolarHBondContact O-CA 3.28Å; S66-K69 PolarHBondContact O-N 2.79Å; P67-K69 PolarHBondContact O-N 3.35Å
70	L	97.7	Very high	85.5	Confident	29 Å²	29	58 Å²	58	15%	0.152	34%	0.344	C	S	.	.			trans	-128.3	11.3	-179.2	-67.2	174.7	0	0	0	113	D68 L211 V212 F214 K216	D68-L70 PolarHBondContact O-N 3.16Å; D68-L70 PolarHBondContact OD1-N 3.38Å; L70-L211 CarbonylContact O-C 3.58Å; L70-L211 WeakPolarHBondContact O-CA 3.32Å; L70-V212 PolarHBondContact O-N 3.48Å; L70-F214 HydrophobicContact CD2-CD2 3.9Å; L70-F214 HydrophobicContact CD2-CE2 4.16Å; L70-K216 HydrophobicContact CD1-CD 4.22Å
71	S	97.1	Very high	85.6	Confident	8 Å²	8	56.9 Å²	56.9	6%	0.056	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132	145.3	170.4	-173.9	0	0	0	0	110.8	V65 S66 V210 L211	V65-S71 VanDerWaalsContact CA-O 3.28Å; V65-S71 WeakPolarHBondContact CA-O 3.35Å; V65-S71 WeakPolarHBondContact CG1-O 3.45Å; S66-S71 PolarHBondContact N-O 2.81Å; S66-S71 WeakPolarHBondContact OG-CA 3.42Å; S66-S71 WeakPolarHBondContact OG-CB 3.35Å; S66-S71 PolarHBondContact OG-N 2.7Å; S66-S71 PolarHBondContact OG-O 3.04Å; S71-V210 CarbonylContact C-O 3.57Å; S71-V210 VanDerWaalsContact CA-O 3.25Å; S71-V210 WeakPolarHBondContact CA-O 3.38Å; S71-V210 PolarHBondContact OG-O 2.77Å; S71-L211 WeakPolarHBondContact OG-CD2 3.5Å
72	V	96	Very high	85.4	Confident	0 Å²	0	59.4 Å²	59.4	0%	0	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	129.3	172.8	-173.1	0	0	0	0	108	L53 L63 V87 V203 E209 V210	L53-V72 HydrophobicContact CD1-CG2 3.38Å; L63-V72 HydrophobicContact CB-CG1 3.88Å; L63-V72 HydrophobicContact CD1-CG1 4.34Å; L63-V72 HydrophobicContact CD2-CG1 3.58Å; L63-V72 HydrophobicContact CG-CG1 4.14Å; V72-V87 HydrophobicContact CG1-CG1 4.32Å; V72-V87 HydrophobicContact CG2-CG1 3.42Å; V72-V87 VanDerWaalsContact CG2-CG1 3.42Å; V72-V203 HydrophobicContact CG1-CG1 4.4Å; V72-V203 HydrophobicContact CG1-CG2 3.75Å; V72-E209 VanDerWaalsContact O-CA 3.3Å; V72-E209 WeakPolarHBondContact O-CA 3.23Å; V72-V210 HydrophobicContact CB-CG2 3.97Å; V72-V210 HydrophobicContact CG2-CG2 4.47Å; V72-V210 PolarHBondContact N-O 3.3Å; V72-V210 PolarHBondContact O-N 2.78Å
73	K	95.8	Very high	85.5	Confident	77 Å²	77	59.6 Å²	59.6	34%	0.335	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	133.8	173.5	-174.3	170.1	-169.9	149.1	0	111	L63 V64 E208 E209	L63-K73 CarbonylContact C-O 3.58Å; L63-K73 WeakPolarHBondContact CA-O 3.33Å; L63-K73 WeakPolarHBondContact CB-O 3.44Å; V64-K73 PolarHBondContact N-O 2.65Å; V64-K73 PolarHBondContact O-N 3.26Å; K73-E208 CarbonylContact C-O 3.53Å; K73-E208 VanDerWaalsContact CA-O 3.32Å; K73-E208 WeakPolarHBondContact CA-O 3.41Å; K73-E209 HydrophobicContact CB-CB 4.37Å; K73-E209 HydrophobicContact CB-CG 4.03Å; K73-E209 HydrophobicContact CD-CG 4.36Å; K73-E209 WeakPolarHBondContact CD-OE2 3.36Å; K73-E209 HydrophobicContact CG-CB 4.18Å; K73-E209 HydrophobicContact CG-CG 4.23Å; K73-E209 IonicContact NZ-OE2 3.07Å; K73-E209 PolarHBondContact NZ-OE2 3.4Å
74	Y	93.8	Very high	85.5	Confident	3 Å²	3	59 Å²	59	1%	0.012	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	128.2	171	-165.7	-90.3	0	0	0	110.5	F62 N76 D83 V203 S205 E208	F62-Y74 HydrophobicContact CB-CE2 4.05Å; F62-Y74 WeakPolarHBondContact O-CD2 3.43Å; Y74-N76 HydrophobicContact CE1-CB 3.86Å; Y74-N76 WeakPolarHBondContact CE1-O 3.49Å; Y74-D83 WeakPolarHBondContact CE2-O 3.05Å; Y74-D83 PolarHBondContact OH-O 3.14Å; Y74-V203 HydrophobicContact CD2-CB 4.33Å; Y74-V203 HydrophobicContact CD2-CG2 3.98Å; Y74-V203 HydrophobicContact CG-CG2 4.46Å; Y74-S205 WeakPolarHBondContact CB-O 3.27Å; Y74-S205 VanDerWaalsContact CD1-O 3.3Å; Y74-S205 WeakPolarHBondContact CD1-O 3.46Å; Y74-S205 VanDerWaalsContact CG-O 3.27Å; Y74-E208 PolarHBondContact N-O 3.25Å
75	T	85.2	Confident	85.6	Confident	74 Å²	74	55.1 Å²	55.1	45%	0.454	31%	0.307	S	S	.	.			trans	-116	-10.2	-171.3	52.9	0	0	0	0	115.1	F62 V64	F62-T75 PolarHBondContact O-N 3.21Å; V64-T75 HydrophobicContact CB-CG2 3.86Å; V64-T75 HydrophobicContact CG2-CG2 3.53Å
76	N	78.2	Confident	85.6	Confident	40 Å²	40	54 Å²	54	21%	0.214	30%	0.3	C	S	.	.			trans	-87	152.8	-175.4	-154.7	-12.1	0	0	0	112	F62 Y74 N78	F62-N76 HydrophobicContact CD1-CB 4.39Å; Y74-N76 HydrophobicContact CE1-CB 3.86Å; Y74-N76 WeakPolarHBondContact CE1-O 3.49Å; N76-N78 PolarHBondContact OD1-N 2.95Å
77	T	70.1	Confident	85.7	Confident	89 Å²	89	52.6 Å²	52.6	55%	0.546	29%	0.291	S	S	.	.			trans	-100.3	-24.3	174.2	51.7	0	0	0	0	112.4
78	N	57.9	Low	85.9	Confident	110 Å²	110	46.1 Å²	46.1	59%	0.588	25%	0.249	S	C	*	.			trans	-83.5	120.4	-178.7	-69.7	-29.6	0	0	0	110.2	N76	N76-N78 PolarHBondContact OD1-N 2.95Å
79	L	64.2	Low	86	Confident	85 Å²	85	41.5 Å²	41.5	45%	0.445	22%	0.224	S	C	.	.			trans	-100.9	70.2	-174.7	-68.2	162.1	0	0	0	110.2
80	H	68.6	Low	86	Confident	115 Å²	115	40.2 Å²	40.2	53%	0.532	22%	0.22	S	C	.	.			trans	-83.1	145.2	159.7	-164.4	64.3	0	0	0	109.5	H82 D83	H80-H82 AromaticContact CD2-CD2 3.63Å; H80-H82 AromaticContact NE2-CD2 3.37Å; H80-H82 PolarHBondContact NE2-CD2 3.03Å; H80-H82 PolarHBondContact O-N 3.04Å; H80-D83 VanDerWaalsContact CB-OD2 3.28Å; H80-D83 WeakPolarHBondContact CB-OD2 3.41Å; H80-D83 PolarHBondContact N-OD2 3.2Å; H80-D83 VanDerWaalsContact N-OD2 3.16Å; H80-D83 WeakPolarHBondContact O-CB 3.44Å; H80-D83 PolarHBondContact O-N 2.72Å
81	G	70.3	Confident	85.9	Confident	44 Å²	44	42.1 Å²	42.1	45%	0.454	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.2	-1.9	-176	0	0	0	0	0	115.5	H204	G81-H204 PolarHBondContact O-CE1 3.39Å; G81-H204 VanDerWaalsContact O-CE1 3.31Å; G81-H204 PolarHBondContact O-NE2 3.23Å
82	H	74.4	Confident	85.9	Confident	102 Å²	102	43.2 Å²	43.2	47%	0.472	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-109.8	1	176.2	-60.8	-54.3	0	0	0	113.6	H80 V84	H80-H82 AromaticContact CD2-CD2 3.63Å; H80-H82 AromaticContact NE2-CD2 3.37Å; H80-H82 PolarHBondContact NE2-CD2 3.03Å; H80-H82 PolarHBondContact O-N 3.04Å; H82-V84 PolarHBondContact O-N 3.29Å
83	D	87.1	Confident	86	Confident	29 Å²	29	43.2 Å²	43.2	16%	0.155	23%	0.234	C	C	.	.			trans	-83.9	51.5	-178.3	-66.2	-16.4	0	0	0	110.2	F62 Y74 H80 H204	F62-D83 HydrophobicContact CD1-CB 3.54Å; F62-D83 HydrophobicContact CE1-CB 3.38Å; F62-D83 VanDerWaalsContact CE1-OD1 3.25Å; F62-D83 WeakPolarHBondContact CE1-OD1 3.31Å; F62-D83 HydrophobicContact CG-CB 4.24Å; F62-D83 HydrophobicContact CZ-CB 3.96Å; F62-D83 VanDerWaalsContact CZ-OD1 3.27Å; F62-D83 WeakPolarHBondContact CZ-OD1 3.45Å; Y74-D83 WeakPolarHBondContact CE2-O 3.05Å; Y74-D83 PolarHBondContact OH-O 3.14Å; H80-D83 VanDerWaalsContact CB-OD2 3.28Å; H80-D83 WeakPolarHBondContact CB-OD2 3.41Å; H80-D83 PolarHBondContact N-OD2 3.2Å; H80-D83 VanDerWaalsContact N-OD2 3.16Å; H80-D83 WeakPolarHBondContact O-CB 3.44Å; H80-D83 PolarHBondContact O-N 2.72Å; D83-H204 PolarHBondContact O-CD2 3.16Å
84	V	91	Very high	86	Confident	0 Å²	0	40.1 Å²	40.1	0%	0	22%	0.222	C	C	.	.			trans	-83.3	124.5	-177.1	-178.1	0	0	0	0	109.9	A59 H82 V86 Q129 W132 A202	A59-V84 WeakPolarHBondContact CB-O 3.33Å; H82-V84 PolarHBondContact O-N 3.29Å; V84-V86 HydrophobicContact CG1-CB 4.33Å; V84-V86 PolarHBondContact O-N 3.44Å; V84-Q129 HydrophobicContact CG1-CG 3.66Å; V84-Q129 HydrophobicContact CG2-CG 4.15Å; V84-W132 HydrophobicContact CG2-CZ3 4.02Å; V84-A202 HydrophobicContact CG1-CB 4.05Å
85	G	93.4	Very high	86	Confident	0 Å²	0	40.6 Å²	40.6	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	106.6	164.7	0	0	0	0	0	109.9	A202 V203	G85-A202 CarbonylContact O-C 3.52Å; G85-A202 WeakPolarHBondContact O-CA 3.36Å; G85-V203 WeakPolarHBondContact CA-O 3.2Å; G85-V203 PolarHBondContact N-O 2.84Å; G85-V203 PolarHBondContact O-N 3.31Å; G85-V203 VanDerWaalsContact O-O 3.08Å
86	V	94.9	Very high	86.3	Confident	0 Å²	0	40.4 Å²	40.4	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	144.8	176.1	60.6	0	0	0	0	111.6	A59 V84 F124 M126 T200 A202	A59-V86 HydrophobicContact CB-CG1 4.17Å; A59-V86 PolarHBondContact N-O 2.8Å; V84-V86 HydrophobicContact CG1-CB 4.33Å; V84-V86 PolarHBondContact O-N 3.44Å; V86-F124 HydrophobicContact CG2-CE1 4.11Å; V86-M126 HydrophobicContact CG1-CB 4.07Å; V86-M126 WeakPolarHBondContact CG1-O 3.35Å; V86-M126 HydrophobicContact CG1-SD 3.98Å; V86-T200 HydrophobicContact CG2-CG2 3.54Å; V86-A202 HydrophobicContact CB-CB 4.03Å; V86-A202 HydrophobicContact CG2-CB 4.1Å
87	V	96.5	Very high	87	Confident	0 Å²	0	39.8 Å²	39.8	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.1	138.8	178.3	62.5	0	0	0	0	110.9	L53 N54 L63 V65 V72 T200 V201	L53-V87 HydrophobicContact CB-CG2 4Å; L53-V87 HydrophobicContact CD1-CG1 4.28Å; L53-V87 HydrophobicContact CD2-CG1 3.8Å; L53-V87 HydrophobicContact CD2-CG2 4.16Å; N54-V87 WeakPolarHBondContact O-CG2 3.36Å; L63-V87 HydrophobicContact CD2-CB 4.15Å; L63-V87 HydrophobicContact CD2-CG1 4.26Å; V65-V87 HydrophobicContact CG2-CG2 4.41Å; V72-V87 HydrophobicContact CG1-CG1 4.32Å; V72-V87 HydrophobicContact CG2-CG1 3.42Å; V72-V87 VanDerWaalsContact CG2-CG1 3.42Å; V87-T200 WeakPolarHBondContact O-CA 3.47Å; V87-V201 PolarHBondContact N-O 3.43Å; V87-V201 PolarHBondContact O-N 2.88Å
88	Q	97.8	Very high	88.1	Confident	1 Å²	1	35.7 Å²	35.7	1%	0.005	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	162.2	173.1	-73.3	176	-31	0	0	110.9	N54 T120 K121 M126 F198 P199 T200	N54-Q88 WeakPolarHBondContact CB-O 3.33Å; N54-Q88 PolarHBondContact N-O 3.36Å; Q88-T120 PolarHBondContact NE2-OG1 3.04Å; Q88-K121 PolarHBondContact NE2-O 2.83Å; Q88-M126 HydrophobicContact CB-CE 4.33Å; Q88-M126 HydrophobicContact CG-CE 3.6Å; Q88-F198 HydrophobicContact CB-CB 4.05Å; Q88-F198 HydrophobicContact CB-CD1 4.5Å; Q88-F198 HydrophobicContact CG-CB 3.98Å; Q88-P199 CarbonylContact C-O 3.44Å; Q88-P199 WeakPolarHBondContact CA-O 3.35Å; Q88-T200 HydrophobicContact CG-CG2 4.25Å
89	A	98.1	Very high	89.9	Confident	0 Å²	0	30.9 Å²	30.9	0%	0	17%	0.165	C	C	.	.	B	Isolated β-bridge	trans	-64.5	162.4	163.3	0	0	0	0	0	111.9	P50 E52 K91 F198 P199 F214	P50-A89 HydrophobicContact CB-CB 3.92Å; E52-A89 CarbonylContact O-C 3.54Å; E52-A89 WeakPolarHBondContact O-CA 3.45Å; A89-K91 VanDerWaalsContact C-N 3.27Å; A89-K91 PolarHBondContact O-N 3.07Å; A89-F198 WeakPolarHBondContact O-CD1 3.46Å; A89-P199 HydrophobicContact CB-CB 4.01Å; A89-P199 HydrophobicContact CB-CG 3.98Å; A89-P199 PolarHBondContact N-O 3.43Å; A89-F214 HydrophobicContact CB-CE1 3.77Å; A89-F214 HydrophobicContact CB-CE2 4.4Å; A89-F214 HydrophobicContact CB-CZ 3.63Å
90	N	96.9	Very high	91.5	Very high	38 Å²	38	27.7 Å²	27.7	20%	0.203	15%	0.148	C	C	.	.	S	Bend	trans	-68.8	-21.6	177.9	66.3	-32.1	0	0	0	114.5	T51 E52	T51-N90 PolarHBondContact N-OD1 3.24Å; T51-N90 PolarHBondContact OG1-ND2 3.34Å; T51-N90 VanDerWaalsContact OG1-ND2 3.07Å; E52-N90 HydrophobicContact CG-CB 4.01Å; E52-N90 WeakPolarHBondContact CG-ND2 3.36Å; E52-N90 PolarHBondContact N-OD1 3.33Å; E52-N90 PolarHBondContact O-N 2.97Å; E52-N90 PolarHBondContact O-OD1 2.84Å; E52-N90 VanDerWaalsContact O-OD1 3.05Å
91	K	97	Very high	93	Very high	69 Å²	69	22.7 Å²	22.7	30%	0.3	12%	0.124	S	C	.	.	S	Bend	trans	-136	156.7	-179	-59.7	-65.5	170.5	171.8	0	109.7	E48 P50 A89 F198	E48-K91 HydrophobicContact CB-CD 4.11Å; E48-K91 HydrophobicContact CB-CG 4.26Å; E48-K91 WeakPolarHBondContact OE2-CD 3.33Å; E48-K91 WeakPolarHBondContact OE2-CE 3.28Å; E48-K91 IonicContact OE2-NZ 3.29Å; E48-K91 PolarHBondContact OE2-NZ 2.94Å; P50-K91 HydrophobicContact CG-CB 4.47Å; P50-K91 WeakPolarHBondContact CG-O 3.46Å; A89-K91 VanDerWaalsContact C-N 3.27Å; A89-K91 PolarHBondContact O-N 3.07Å; K91-F198 WeakPolarHBondContact O-CD1 3.15Å
92	P	97.1	Very high	94.3	Very high	31 Å²	31	20.6 Å²	20.6	20%	0.201	10%	0.102	C	C	.	.	P	Polyproline II helix	trans	-70.2	160.9	173.9	30.9	-35.2	0	0	0	110.9	P50 H196 L197 F198	P50-P92 VanDerWaalsContact CD-O 3.29Å; P50-P92 WeakPolarHBondContact CD-O 3.48Å; P50-P92 WeakPolarHBondContact CG-O 3.4Å; P92-H196 HydrophobicContact CB-CB 3.79Å; P92-H196 HydrophobicContact CG-CB 4.28Å; P92-L197 WeakPolarHBondContact CA-O 3.42Å; P92-F198 HydrophobicContact CB-CD2 4.2Å; P92-F198 HydrophobicContact CB-CE1 4.27Å; P92-F198 HydrophobicContact CB-CE2 3.88Å; P92-F198 HydrophobicContact CB-CZ 3.93Å; P92-F198 HydrophobicContact CG-CZ 4.22Å; P92-F198 VanDerWaalsContact N-CE1 3.33Å
93	A	97.7	Very high	95.5	Very high	0 Å²	0	16.2 Å²	16.2	0%	0	8%	0.082	C	C	.	.	P	Polyproline II helix	trans	-56.9	131.8	166	0	0	0	0	0	109.6	Y100 F119 I170 L197	A93-Y100 HydrophobicContact CB-CD1 3.34Å; A93-Y100 HydrophobicContact CB-CD2 4.38Å; A93-Y100 HydrophobicContact CB-CE1 3.68Å; A93-Y100 HydrophobicContact CB-CG 3.72Å; A93-F119 HydrophobicContact CB-CE1 4.48Å; A93-I170 HydrophobicContact CB-CD1 4.21Å; A93-L197 WeakPolarHBondContact CB-O 3.37Å; A93-L197 PolarHBondContact N-O 3.42Å
94	P	95.9	Very high	96	Very high	12 Å²	12	14.9 Å²	14.9	8%	0.078	8%	0.075	C	C	.	.	P	Polyproline II helix	trans	-57.3	144.9	173.3	27.7	-38.3	0	0	0	110.1	E47 L49 Y100 Y172	E47-P94 HydrophobicContact CB-CB 4.35Å; E47-P94 WeakPolarHBondContact OE2-CB 3.14Å; L49-P94 HydrophobicContact CD2-CB 3.7Å; L49-P94 HydrophobicContact CD2-CG 3.62Å; P94-Y100 HydrophobicContact CG-CD2 3.6Å; P94-Y100 HydrophobicContact CG-CE2 4.29Å; P94-Y100 HydrophobicContact CG-CG 4.22Å; P94-Y172 WeakPolarHBondContact O-CE2 3.47Å; P94-Y172 PolarHBondContact O-OH 3.3Å
95	I	93.9	Very high	96.4	Very high	14 Å²	14	18.5 Å²	18.5	7%	0.072	9%	0.091	C	C	.	.	S	Bend	trans	-112.8	-15.2	-178.4	57.1	165.5	0	0	0	112.8	E47 C97 Y172 D452 Q453 G454	E47-I95 WeakPolarHBondContact OE1-CG1 3.41Å; E47-I95 PolarHBondContact OE1-N 3Å; E47-I95 PolarHBondContact OE2-N 2.74Å; E47-I95 VanDerWaalsContact OE2-N 3.09Å; I95-C97 PolarHBondContact O-N 2.78Å; I95-Y172 HydrophobicContact CG2-CE1 4.09Å; I95-D452 WeakPolarHBondContact CD1-O 3.19Å; I95-Q453 HydrophobicContact CB-CB 4.19Å; I95-Q453 HydrophobicContact CB-CG 3.92Å; I95-Q453 HydrophobicContact CD1-CG 4.27Å; I95-Q453 HydrophobicContact CG2-CB 4.47Å; I95-Q453 HydrophobicContact CG2-CG 3.85Å; I95-G454 CarbonylContact O-C 3.54Å; I95-G454 WeakPolarHBondContact O-CA 3.27Å; I95-G454 PolarHBondContact O-N 3.38Å
96	K	91.8	Very high	96.7	Very high	69 Å²	69	18.5 Å²	18.5	30%	0.3	9%	0.091	S	C	.	.	S	Bend	trans	-85.7	34.1	177.8	-59.7	177.4	-177.3	175.7	0	112.8	D44 E47	D44-K96 VanDerWaalsContact CG-NZ 3.3Å; D44-K96 IonicContact OD1-NZ 3.72Å; D44-K96 PolarHBondContact OD1-NZ 3.46Å; D44-K96 IonicContact OD2-NZ 2.69Å; D44-K96 PolarHBondContact OD2-NZ 3.36Å; E47-K96 HydrophobicContact CG-CD 4.07Å; E47-K96 HydrophobicContact CG-CG 4.32Å; E47-K96 WeakPolarHBondContact OE2-CA 3.5Å; E47-K96 WeakPolarHBondContact OE2-CB 3.35Å; E47-K96 WeakPolarHBondContact OE2-CG 3.27Å; E47-K96 PolarHBondContact OE2-N 2.92Å
97	C	92.5	Very high	96.8	Very high	28 Å²	28	23 Å²	23	19%	0.189	11%	0.111	C	C	.	.	S	Bend	trans	-132.5	167.1	-179.3	64.9	0	0	0	0	112.2	I95 T99 Y172 E455	I95-C97 PolarHBondContact O-N 2.78Å; C97-T99 VanDerWaalsContact SG-C 3.58Å; C97-T99 PolarHBondContact SG-O 2.87Å; C97-Y172 WeakPolarHBondContact O-CD2 3.41Å; C97-E455 VanDerWaalsContact C-CG 3.44Å
98	L	93.4	Very high	96.9	Very high	3 Å²	3	25.7 Å²	25.7	2%	0.016	13%	0.125	C	C	.	.	S	Bend	trans	-67.4	-45.8	174.4	178.8	59.8	0	0	0	110.4	Y172 A173 E227 E230 R231 E455	L98-Y172 PolarHBondContact O-N 3.42Å; L98-A173 HydrophobicContact CD1-CB 3.42Å; L98-A173 VanDerWaalsContact CD1-CB 3.42Å; L98-E227 HydrophobicContact CD2-CB 4.24Å; L98-E227 HydrophobicContact CD2-CG 4.4Å; L98-E230 HydrophobicContact CD2-CB 4.34Å; L98-R231 HydrophobicContact CD2-CG 3.75Å; L98-E455 HydrophobicContact CB-CG 3.94Å
99	T	96.1	Very high	96.8	Very high	8 Å²	8	26.8 Å²	26.8	5%	0.049	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.7	143.5	-174.9	-64.3	0	0	0	0	110.2	C97 I170 F178 I223 Y226	C97-T99 VanDerWaalsContact SG-C 3.58Å; C97-T99 PolarHBondContact SG-O 2.87Å; T99-I170 CarbonylContact C-O 3.56Å; T99-I170 WeakPolarHBondContact CA-O 3.45Å; T99-I170 WeakPolarHBondContact CG2-O 3.44Å; T99-F178 HydrophobicContact CG2-CE1 3.65Å; T99-F178 HydrophobicContact CG2-CZ 3.76Å; T99-I223 HydrophobicContact CG2-CD1 3.74Å; T99-Y226 HydrophobicContact CG2-CD1 4.25Å; T99-Y226 HydrophobicContact CG2-CE1 4.05Å
100	Y	97.8	Very high	96.6	Very high	19 Å²	19	27.7 Å²	27.7	8%	0.075	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	146.1	165.1	173.4	-99.8	0	0	0	109.9	P50 A93 P94 F102 F119 G169 I170 P199	P50-Y100 HydrophobicContact CG-CE2 4.16Å; P50-Y100 WeakPolarHBondContact CG-OH 3.44Å; A93-Y100 HydrophobicContact CB-CD1 3.34Å; A93-Y100 HydrophobicContact CB-CD2 4.38Å; A93-Y100 HydrophobicContact CB-CE1 3.68Å; A93-Y100 HydrophobicContact CB-CG 3.72Å; P94-Y100 HydrophobicContact CG-CD2 3.6Å; P94-Y100 HydrophobicContact CG-CE2 4.29Å; P94-Y100 HydrophobicContact CG-CG 4.22Å; Y100-F102 HydrophobicContact CE1-CB 4.48Å; Y100-F102 HydrophobicContact CE1-CD1 4.06Å; Y100-F119 AromaticContact CD1-CE1 3.89Å; Y100-F119 HydrophobicContact CD1-CE1 3.89Å; Y100-F119 HydrophobicContact CD1-CZ 4.16Å; Y100-F119 AromaticContact CE1-CE1 3.84Å; Y100-F119 HydrophobicContact CE1-CE1 3.84Å; Y100-F119 HydrophobicContact CE1-CZ 4.29Å; Y100-G169 CarbonylContact O-C 3.58Å; Y100-G169 WeakPolarHBondContact O-CA 3.48Å; Y100-I170 PolarHBondContact N-O 3.25Å; Y100-I170 PolarHBondContact O-N 3.36Å; Y100-P199 HydrophobicContact CE1-CG 3.66Å; Y100-P199 WeakPolarHBondContact OH-CG 3.46Å
101	Y	98.8	Very high	96.4	Very high	9 Å²	9	31 Å²	31	4%	0.035	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155	144.3	-176.3	-177.3	-101.9	0	0	0	111.8	E103 G167 G168 F178 T180 F219 F221 I223	Y101-E103 HydrophobicContact CD1-CG 4.48Å; Y101-E103 HydrophobicContact CE1-CG 3.46Å; Y101-E103 VanDerWaalsContact CE1-CG 3.46Å; Y101-E103 WeakPolarHBondContact OH-CG 3.39Å; Y101-E103 PolarHBondContact OH-OE1 3.49Å; Y101-E103 VanDerWaalsContact OH-OE1 3.06Å; Y101-G167 WeakPolarHBondContact OH-CA 3.49Å; Y101-G168 WeakPolarHBondContact CA-O 3.38Å; Y101-F178 AromaticContact CD2-CE2 3.49Å; Y101-F178 HydrophobicContact CD2-CE2 3.49Å; Y101-F178 VanDerWaalsContact CD2-CE2 3.49Å; Y101-F178 AromaticContact CD2-CZ 3.66Å; Y101-F178 HydrophobicContact CD2-CZ 3.66Å; Y101-F178 AromaticContact CE2-CE2 3.76Å; Y101-F178 HydrophobicContact CE2-CE2 3.76Å; Y101-F178 HydrophobicContact CE2-CZ 4.4Å; Y101-F178 HydrophobicContact CG-CZ 4.4Å; Y101-T180 HydrophobicContact CE2-CG2 3.86Å; Y101-T180 PolarHBondContact OH-OG1 2.88Å; Y101-F219 HydrophobicContact CD1-CD1 4.2Å; Y101-F219 AromaticContact CD1-CD2 3.92Å; Y101-F219 HydrophobicContact CD1-CD2 3.92Å; Y101-F219 HydrophobicContact CD1-CE1 4.26Å; Y101-F219 AromaticContact CD1-CE2 3.98Å; Y101-F219 HydrophobicContact CD1-CE2 3.98Å; Y101-F219 HydrophobicContact CD1-CG 4.03Å; Y101-F219 HydrophobicContact CD1-CZ 4.14Å; Y101-F219 HydrophobicContact CE1-CB 4.19Å; Y101-F219 HydrophobicContact CE1-CD1 4.05Å; Y101-F219 HydrophobicContact CE1-CD2 4.24Å; Y101-F219 HydrophobicContact CE1-CE1 4.48Å; Y101-F219 AromaticContact CE1-CG 3.91Å; Y101-F219 HydrophobicContact CE1-CG 3.91Å; Y101-F221 HydrophobicContact CD1-CD1 4.4Å; Y101-F221 HydrophobicContact CD2-CD1 4.37Å; Y101-F221 HydrophobicContact CE1-CB 3.86Å; Y101-F221 AromaticContact CE1-CD1 3.97Å; Y101-F221 HydrophobicContact CE1-CD1 3.97Å; Y101-F221 HydrophobicContact CE1-CG 4.38Å; Y101-F221 AromaticContact CE2-CD1 3.97Å; Y101-F221 HydrophobicContact CE2-CD1 3.97Å; Y101-F221 AromaticContact CZ-CD1 3.74Å; Y101-F221 WeakPolarHBondContact OH-CB 3.22Å; Y101-I223 HydrophobicContact CD1-CB 4.38Å; Y101-I223 HydrophobicContact CD1-CD1 4.43Å; Y101-I223 HydrophobicContact CD1-CG1 4.46Å; Y101-I223 HydrophobicContact CG-CD1 3.99Å; Y101-I223 HydrophobicContact CG-CG1 4.41Å
102	F	98.9	Very high	96.3	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146	160.3	171.6	79.2	-70.7	0	0	0	110.5	Y100 I117 F119 G167 G168 P199 V201 V212 F214	Y100-F102 HydrophobicContact CE1-CB 4.48Å; Y100-F102 HydrophobicContact CE1-CD1 4.06Å; F102-I117 HydrophobicContact CD2-CD1 4.36Å; F102-I117 HydrophobicContact CE1-CD1 4.25Å; F102-I117 HydrophobicContact CE1-CG1 4.2Å; F102-I117 HydrophobicContact CE2-CD1 3.74Å; F102-I117 HydrophobicContact CE2-CG1 3.78Å; F102-I117 HydrophobicContact CZ-CD1 3.68Å; F102-I117 HydrophobicContact CZ-CG1 3.41Å; F102-I117 VanDerWaalsContact CZ-CG1 3.41Å; F102-F119 HydrophobicContact CD1-CE1 4.22Å; F102-F119 HydrophobicContact CD1-CZ 4.03Å; F102-F119 AromaticContact CE1-CE1 3.89Å; F102-F119 HydrophobicContact CE1-CE1 3.89Å; F102-F119 HydrophobicContact CE1-CE2 4.34Å; F102-F119 AromaticContact CE1-CZ 3.74Å; F102-F119 HydrophobicContact CE1-CZ 3.74Å; F102-G167 CarbonylContact O-C 3.54Å; F102-G167 WeakPolarHBondContact O-CA 3.42Å; F102-G168 VanDerWaalsContact CD1-O 3.29Å; F102-G168 WeakPolarHBondContact CD1-O 3.42Å; F102-G168 PolarHBondContact N-O 2.82Å; F102-G168 PolarHBondContact O-N 3.33Å; F102-P199 HydrophobicContact CD1-CB 3.86Å; F102-P199 HydrophobicContact CD1-CG 4.4Å; F102-P199 HydrophobicContact CD2-CB 4.12Å; F102-P199 HydrophobicContact CE1-CB 3.69Å; F102-P199 HydrophobicContact CE2-CB 3.94Å; F102-P199 HydrophobicContact CG-CB 4.07Å; F102-P199 HydrophobicContact CZ-CB 3.71Å; F102-V201 HydrophobicContact CE2-CG2 3.98Å; F102-V212 HydrophobicContact CD2-CG1 4.08Å; F102-V212 HydrophobicContact CE2-CG1 4.46Å; F102-F214 HydrophobicContact CB-CD1 3.92Å; F102-F214 HydrophobicContact CB-CE1 4.42Å; F102-F214 HydrophobicContact CD2-CD1 4.18Å; F102-F214 AromaticContact CD2-CE1 3.86Å; F102-F214 HydrophobicContact CD2-CE1 3.86Å; F102-F214 HydrophobicContact CE2-CE1 4.45Å; F102-F214 HydrophobicContact CG-CD1 4.28Å; F102-F214 HydrophobicContact CG-CE1 4.29Å
103	E	98.9	Very high	96.2	Very high	10 Å²	10	31.5 Å²	31.5	5%	0.047	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	155.3	-179.8	-70.7	179.4	165.4	0	0	112	Y101 V166 N213 F219 A220 F221	Y101-E103 HydrophobicContact CD1-CG 4.48Å; Y101-E103 HydrophobicContact CE1-CG 3.46Å; Y101-E103 VanDerWaalsContact CE1-CG 3.46Å; Y101-E103 WeakPolarHBondContact OH-CG 3.39Å; Y101-E103 PolarHBondContact OH-OE1 3.49Å; Y101-E103 VanDerWaalsContact OH-OE1 3.06Å; E103-V166 CarbonylContact C-O 3.55Å; E103-V166 VanDerWaalsContact CA-O 3.32Å; E103-V166 WeakPolarHBondContact CA-O 3.42Å; E103-N213 HydrophobicContact CB-CB 4.37Å; E103-N213 PolarHBondContact N-O 3.2Å; E103-N213 PolarHBondContact O-N 3.28Å; E103-F219 HydrophobicContact CB-CD1 4.17Å; E103-F219 HydrophobicContact CG-CD1 3.75Å; E103-F219 HydrophobicContact CG-CE1 4.39Å; E103-F219 HydrophobicContact CG-CG 4.47Å; E103-F219 WeakPolarHBondContact OE1-CB 3.25Å; E103-F219 VanDerWaalsContact OE2-CA 3.26Å; E103-F219 WeakPolarHBondContact OE2-CA 3.43Å; E103-A220 VanDerWaalsContact CD-N 3.32Å; E103-A220 PolarHBondContact OE1-N 2.85Å; E103-A220 PolarHBondContact OE2-N 2.83Å; E103-F221 PolarHBondContact OE1-N 3.38Å
104	I	98.8	Very high	96.1	Very high	2 Å²	2	33.3 Å²	33.3	1%	0.01	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	149.9	157.1	66.7	174.6	0	0	0	109.7	I115 I117 A165 V166 V201 V210 L211 V212	I104-I115 HydrophobicContact CD1-CG2 3.85Å; I104-I117 HydrophobicContact CD1-CB 4.06Å; I104-I117 HydrophobicContact CG1-CD1 4.15Å; I104-I117 HydrophobicContact CG2-CD1 4.08Å; I104-A165 CarbonylContact O-C 3.58Å; I104-A165 WeakPolarHBondContact O-CA 3.21Å; I104-V166 HydrophobicContact CG1-CB 4.02Å; I104-V166 PolarHBondContact N-O 3.32Å; I104-V166 PolarHBondContact O-N 3.17Å; I104-V201 HydrophobicContact CG2-CG1 4.13Å; I104-V201 HydrophobicContact CG2-CG2 3.56Å; I104-V210 HydrophobicContact CB-CB 4.49Å; I104-V210 HydrophobicContact CD1-CG1 4.32Å; I104-L211 CarbonylContact C-O 3.49Å; I104-L211 WeakPolarHBondContact CA-O 3.21Å; I104-V212 HydrophobicContact CG2-CG1 4.36Å; I104-V212 HydrophobicContact CG2-CG2 4.11Å
105	F	98.8	Very high	96.2	Very high	75 Å²	75	32.8 Å²	32.8	33%	0.329	17%	0.165	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	123.9	166.6	175.1	-96.2	0	0	0	108.5	K107 D163 V210 L211	F105-K107 HydrophobicContact CD1-CB 4.48Å; F105-K107 HydrophobicContact CE1-CB 4.46Å; F105-K107 PolarHBondContact O-N 2.89Å; F105-D163 HydrophobicContact CZ-CB 4.4Å; F105-V210 CarbonylContact O-C 3.54Å; F105-V210 VanDerWaalsContact O-CA 3.31Å; F105-V210 WeakPolarHBondContact O-CA 3.37Å; F105-L211 HydrophobicContact CB-CB 4.36Å; F105-L211 HydrophobicContact CD1-CD1 4.16Å; F105-L211 HydrophobicContact CD1-CG 4.5Å; F105-L211 PolarHBondContact N-O 3.25Å; F105-L211 PolarHBondContact O-N 3.02Å
106	V	98.8	Very high	96.4	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	101.9	-179	-174.7	0	0	0	0	109.3	I115 F160 T161 K162 D163 D164 V210	V106-I115 HydrophobicContact CG1-CD1 3.54Å; V106-I115 HydrophobicContact CG2-CD1 4.32Å; V106-F160 HydrophobicContact CG2-CD2 4.02Å; V106-F160 HydrophobicContact CG2-CE2 4.38Å; V106-T161 VanDerWaalsContact CB-O 3.27Å; V106-T161 WeakPolarHBondContact CB-O 3.32Å; V106-K162 WeakPolarHBondContact O-CA 3.38Å; V106-D163 PolarHBondContact O-N 3.33Å; V106-D164 PolarHBondContact N-O 2.85Å; V106-V210 HydrophobicContact CG2-CG1 4.34Å
107	K	98.5	Very high	96.7	Very high	96 Å²	96	28.9 Å²	28.9	42%	0.417	15%	0.147	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	-37	179.3	-179.9	177.1	165.4	-163.9	0	111.6	F105 E209	F105-K107 HydrophobicContact CD1-CB 4.48Å; F105-K107 HydrophobicContact CE1-CB 4.46Å; F105-K107 PolarHBondContact O-N 2.89Å; K107-E209 HydrophobicContact CB-CB 4.45Å; K107-E209 HydrophobicContact CB-CG 4.41Å; K107-E209 WeakPolarHBondContact CB-O 3.4Å; K107-E209 HydrophobicContact CD-CG 4.16Å; K107-E209 WeakPolarHBondContact CD-OE1 3.45Å; K107-E209 WeakPolarHBondContact CE-OE1 3.18Å; K107-E209 PolarHBondContact N-O 3.29Å; K107-E209 IonicContact NZ-OE1 2.72Å; K107-E209 PolarHBondContact NZ-OE1 2.68Å; K107-E209 IonicContact NZ-OE2 3.67Å
108	D	98	Very high	97	Very high	56 Å²	56	27.5 Å²	27.5	30%	0.299	14%	0.138	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.2	127.9	175	-164.3	-27.1	0	0	0	108.8	G110 N207 E208 E209	D108-G110 PolarHBondContact O-N 2.89Å; D108-G110 PolarHBondContact OD1-N 3.02Å; D108-N207 WeakPolarHBondContact CB-O 3.46Å; D108-E208 WeakPolarHBondContact O-CA 3.33Å; D108-E209 HydrophobicContact CB-CB 4.15Å; D108-E209 PolarHBondContact N-O 3.4Å; D108-E209 PolarHBondContact O-N 3.38Å
109	S	96.1	Very high	97.2	Very high	24 Å²	24	27.4 Å²	27.4	17%	0.168	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	-6.8	176.7	57.4	0	0	0	0	112.9	G113 T161 E208	S109-G113 WeakPolarHBondContact O-CA 3.43Å; S109-G113 PolarHBondContact O-N 2.85Å; S109-T161 WeakPolarHBondContact CB-OG1 3.48Å; S109-T161 PolarHBondContact OG-OG1 3.11Å; S109-E208 WeakPolarHBondContact O-CG 3.35Å
110	G	93.8	Very high	97.3	Very high	18 Å²	18	27 Å²	27	19%	0.186	14%	0.135	C	C	.	.	T	Hydrogen-bonded Turn	trans	57.1	-154	-173	0	0	0	0	0	112.7	D108 Q206	D108-G110 PolarHBondContact O-N 2.89Å; D108-G110 PolarHBondContact OD1-N 3.02Å; G110-Q206 CarbonylContact C-O 3.56Å; G110-Q206 WeakPolarHBondContact CA-O 3.47Å
111	I	92.8	Very high	97.2	Very high	107 Å²	107	29.1 Å²	29.1	55%	0.549	14%	0.144	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.9	-39.5	-174.8	-60.7	-179.2	0	0	0	112.2	Q206	I111-Q206 HydrophobicContact CD1-CB 3.84Å; I111-Q206 HydrophobicContact CD1-CG 4.45Å; I111-Q206 HydrophobicContact CG1-CB 4.27Å; I111-Q206 PolarHBondContact N-O 3.48Å; I111-Q206 VanDerWaalsContact N-O 3.1Å
112	K	93.5	Very high	97	Very high	103 Å²	103	35 Å²	35	45%	0.448	17%	0.172	S	C	.	.	T	Hydrogen-bonded Turn	trans	-116.3	-16.1	-170.7	-61.6	179.8	-177.3	178.3	0	114.9	Q114 D142 S205	K112-Q114 VanDerWaalsContact C-N 3.29Å; K112-Q114 HydrophobicContact CB-CG 3.62Å; K112-Q114 HydrophobicContact CD-CG 4.43Å; K112-Q114 PolarHBondContact O-N 3.38Å; K112-D142 WeakPolarHBondContact O-CB 3.2Å; K112-S205 WeakPolarHBondContact CB-OG 3.45Å; K112-S205 WeakPolarHBondContact CG-OG 3.31Å; K112-S205 PolarHBondContact N-OG 3.47Å
113	G	94.9	Very high	96.6	Very high	8 Å²	8	40.1 Å²	40.1	8%	0.082	21%	0.208	C	C	.	.			trans	67.9	23.6	-179.1	0	0	0	0	0	114.8	S109 I115 G141 D142 E208	S109-G113 WeakPolarHBondContact O-CA 3.43Å; S109-G113 PolarHBondContact O-N 2.85Å; G113-I115 PolarHBondContact O-N 3.48Å; G113-G141 CarbonylContact O-C 3.55Å; G113-D142 PolarHBondContact O-N 2.9Å; G113-E208 WeakPolarHBondContact CA-OE1 3.47Å; G113-E208 PolarHBondContact N-OE1 2.83Å
114	Q	95.4	Very high	96.4	Very high	39 Å²	39	40.4 Å²	40.4	18%	0.182	21%	0.209	C	C	.	.			trans	-79	49.4	-179.4	-53.4	-160.8	-73	0	0	112.1	K112 Q129 D142 H204 E208	K112-Q114 VanDerWaalsContact C-N 3.29Å; K112-Q114 HydrophobicContact CB-CG 3.62Å; K112-Q114 HydrophobicContact CD-CG 4.43Å; K112-Q114 PolarHBondContact O-N 3.38Å; Q114-Q129 PolarHBondContact O-NE2 3.27Å; Q114-D142 HydrophobicContact CG-CB 4.03Å; Q114-D142 WeakPolarHBondContact CG-OD2 3.28Å; Q114-D142 PolarHBondContact NE2-OD2 3.46Å; Q114-H204 HydrophobicContact CB-CB 3.93Å; Q114-E208 WeakPolarHBondContact CA-OE1 3.32Å; Q114-E208 PolarHBondContact N-OE1 2.91Å
115	I	98.1	Very high	95.9	Very high	1 Å²	1	46.2 Å²	46.2	1%	0.005	23%	0.234	C	C	.	.			trans	-89.6	136.8	176.7	-60.9	170.3	0	0	0	107.5	I104 V106 G113 G141 F160 A202 V203 E208 V210	I104-I115 HydrophobicContact CD1-CG2 3.85Å; V106-I115 HydrophobicContact CG1-CD1 3.54Å; V106-I115 HydrophobicContact CG2-CD1 4.32Å; G113-I115 PolarHBondContact O-N 3.48Å; I115-G141 PolarHBondContact O-N 3.36Å; I115-F160 HydrophobicContact CB-CE2 3.99Å; I115-F160 HydrophobicContact CG2-CE2 3.91Å; I115-F160 WeakPolarHBondContact O-CZ 3.26Å; I115-A202 WeakPolarHBondContact CA-O 3.47Å; I115-V203 HydrophobicContact CG1-CG1 4.38Å; I115-E208 HydrophobicContact CD1-CB 4.29Å; I115-E208 HydrophobicContact CD1-CG 4.1Å; I115-E208 HydrophobicContact CG1-CB 4.1Å; I115-E208 HydrophobicContact CG1-CG 3.83Å; I115-V210 HydrophobicContact CD1-CG1 3.8Å; I115-V210 HydrophobicContact CG1-CG1 4.37Å; I115-V210 HydrophobicContact CG2-CG1 3.66Å
116	A	98.4	Very high	95.4	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	144.9	177	0	0	0	0	0	112.1	Q129 P130 Y139 V201 A202	A116-Q129 HydrophobicContact CB-CB 4.35Å; A116-P130 HydrophobicContact CB-CG 3.8Å; A116-Y139 WeakPolarHBondContact CA-O 3.41Å; A116-V201 CarbonylContact O-C 3.45Å; A116-V201 WeakPolarHBondContact O-CA 3.13Å; A116-A202 HydrophobicContact CB-CB 4.41Å; A116-A202 PolarHBondContact N-O 3.36Å; A116-A202 PolarHBondContact O-N 3.28Å
117	I	98.8	Very high	94.9	Very high	0 Å²	0	51.4 Å²	51.4	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	141.9	175.9	-175.8	177.1	0	0	0	109.6	F102 I104 G138 Y139 V166 F179	F102-I117 HydrophobicContact CD2-CD1 4.36Å; F102-I117 HydrophobicContact CE1-CD1 4.25Å; F102-I117 HydrophobicContact CE1-CG1 4.2Å; F102-I117 HydrophobicContact CE2-CD1 3.74Å; F102-I117 HydrophobicContact CE2-CG1 3.78Å; F102-I117 HydrophobicContact CZ-CD1 3.68Å; F102-I117 HydrophobicContact CZ-CG1 3.41Å; F102-I117 VanDerWaalsContact CZ-CG1 3.41Å; I104-I117 HydrophobicContact CD1-CB 4.06Å; I104-I117 HydrophobicContact CG1-CD1 4.15Å; I104-I117 HydrophobicContact CG2-CD1 4.08Å; I117-G138 CarbonylContact O-C 3.48Å; I117-G138 VanDerWaalsContact O-CA 3.24Å; I117-G138 WeakPolarHBondContact O-CA 3.24Å; I117-Y139 HydrophobicContact CG2-CD1 4.38Å; I117-Y139 PolarHBondContact N-O 2.89Å; I117-Y139 PolarHBondContact O-N 3.34Å; I117-V166 HydrophobicContact CG2-CG1 3.86Å; I117-F179 HydrophobicContact CG2-CD1 4.3Å; I117-F179 HydrophobicContact CG2-CE1 4.4Å
118	G	98.6	Very high	94.6	Very high	0 Å²	0	49.5 Å²	49.5	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	172.7	-146.7	171.2	0	0	0	0	0	114.4	C137 T200	G118-C137 CarbonylContact C-O 3.46Å; G118-C137 VanDerWaalsContact CA-O 3.3Å; G118-C137 WeakPolarHBondContact CA-O 3.31Å; G118-T200 PolarHBondContact N-O 2.87Å; G118-T200 PolarHBondContact O-N 3.33Å
119	F	98.5	Very high	94.4	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	135.1	-172.5	-65.4	-79	0	0	0	110.8	A93 Y100 F102 S136 C137 I170 F177 L197 F198 P199	A93-F119 HydrophobicContact CB-CE1 4.48Å; Y100-F119 AromaticContact CD1-CE1 3.89Å; Y100-F119 HydrophobicContact CD1-CE1 3.89Å; Y100-F119 HydrophobicContact CD1-CZ 4.16Å; Y100-F119 AromaticContact CE1-CE1 3.84Å; Y100-F119 HydrophobicContact CE1-CE1 3.84Å; Y100-F119 HydrophobicContact CE1-CZ 4.29Å; F102-F119 HydrophobicContact CD1-CE1 4.22Å; F102-F119 HydrophobicContact CD1-CZ 4.03Å; F102-F119 AromaticContact CE1-CE1 3.89Å; F102-F119 HydrophobicContact CE1-CE1 3.89Å; F102-F119 HydrophobicContact CE1-CE2 4.34Å; F102-F119 AromaticContact CE1-CZ 3.74Å; F102-F119 HydrophobicContact CE1-CZ 3.74Å; F119-S136 WeakPolarHBondContact O-CA 3.3Å; F119-C137 PolarHBondContact N-O 3.01Å; F119-C137 PolarHBondContact O-N 3.01Å; F119-I170 HydrophobicContact CD1-CD1 3.87Å; F119-I170 HydrophobicContact CD1-CG1 4.41Å; F119-I170 HydrophobicContact CD2-CD1 4.45Å; F119-I170 HydrophobicContact CD2-CG1 4.2Å; F119-I170 HydrophobicContact CE1-CD1 3.77Å; F119-I170 HydrophobicContact CE1-CG1 4.08Å; F119-I170 HydrophobicContact CE2-CD1 4.37Å; F119-I170 HydrophobicContact CE2-CG1 3.86Å; F119-I170 HydrophobicContact CG-CD1 4.21Å; F119-I170 HydrophobicContact CG-CG1 4.46Å; F119-I170 HydrophobicContact CZ-CD1 4.04Å; F119-I170 HydrophobicContact CZ-CG1 3.8Å; F119-F177 HydrophobicContact CB-CE1 3.85Å; F119-F177 HydrophobicContact CB-CZ 4.28Å; F119-F177 AromaticContact CD2-CD1 3.54Å; F119-F177 HydrophobicContact CD2-CD1 3.54Å; F119-F177 AromaticContact CD2-CE1 3.5Å; F119-F177 HydrophobicContact CD2-CE1 3.5Å; F119-F177 AromaticContact CE2-CD1 3.98Å; F119-F177 HydrophobicContact CE2-CD1 3.98Å; F119-F177 HydrophobicContact CE2-CE1 4.27Å; F119-F177 HydrophobicContact CG-CD1 4.32Å; F119-F177 AromaticContact CG-CE1 3.82Å; F119-F177 HydrophobicContact CG-CE1 3.82Å; F119-L197 HydrophobicContact CB-CB 4.23Å; F119-L197 HydrophobicContact CB-CD1 4.28Å; F119-L197 HydrophobicContact CD1-CB 4.42Å; F119-F198 WeakPolarHBondContact CA-O 3.4Å; F119-P199 HydrophobicContact CE1-CG 4.43Å
120	T	97.4	Very high	94.4	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	159.1	-179.5	64.9	0	0	0	0	111.1	Q88 F124 P130 L197 F198 T200	Q88-T120 PolarHBondContact NE2-OG1 3.04Å; T120-F124 HydrophobicContact CG2-CB 4.32Å; T120-F124 HydrophobicContact CG2-CD1 3.85Å; T120-F124 HydrophobicContact CG2-CD2 3.69Å; T120-F124 HydrophobicContact CG2-CE1 4.03Å; T120-F124 HydrophobicContact CG2-CE2 3.86Å; T120-F124 HydrophobicContact CG2-CG 3.69Å; T120-F124 HydrophobicContact CG2-CZ 4.03Å; T120-P130 HydrophobicContact CG2-CB 3.97Å; T120-L197 CarbonylContact O-C 3.46Å; T120-L197 WeakPolarHBondContact O-CA 3.47Å; T120-F198 PolarHBondContact N-O 2.94Å; T120-F198 VanDerWaalsContact N-O 3.08Å; T120-F198 PolarHBondContact O-N 2.68Å; T120-T200 HydrophobicContact CG2-CG2 3.79Å; T120-T200 WeakPolarHBondContact CG2-OG1 3.35Å; T120-T200 PolarHBondContact OG1-OG1 3.21Å
121	K	95.9	Very high	94.5	Very high	63 Å²	63	44.9 Å²	44.9	27%	0.274	21%	0.212	S	C	.	.			trans	-73.6	158.5	167.9	-73.8	-171.3	172.3	177.6	0	111	Q88 S123 F124 N135 R194 L197	Q88-K121 PolarHBondContact NE2-O 2.83Å; K121-S123 PolarHBondContact O-N 3.4Å; K121-F124 WeakPolarHBondContact O-CB 3.44Å; K121-F124 PolarHBondContact O-N 2.94Å; K121-N135 HydrophobicContact CD-CB 3.67Å; K121-N135 HydrophobicContact CG-CB 4.05Å; K121-N135 PolarHBondContact NZ-OD1 3.33Å; K121-R194 WeakPolarHBondContact CE-O 3.39Å; K121-L197 HydrophobicContact CG-CD2 4.13Å
122	E	93.7	Very high	94.6	Very high	133 Å²	133	41.9 Å²	41.9	62%	0.621	19%	0.194	S	C	*	.	T	Hydrogen-bonded Turn	trans	-51.6	-43.2	175.3	-174.1	173.2	-161.2	0	0	112.8	F124 F198	E122-F124 PolarHBondContact O-N 3.46Å; E122-F198 HydrophobicContact CB-CD2 4.25Å; E122-F198 HydrophobicContact CB-CE2 3.74Å; E122-F198 HydrophobicContact CB-CZ 4.42Å; E122-F198 HydrophobicContact CG-CE2 4.28Å; E122-F198 HydrophobicContact CG-CZ 4.48Å
123	S	91.8	Very high	94.6	Very high	107 Å²	107	38.9 Å²	38.9	75%	0.748	18%	0.182	S	C	*	.	T	Hydrogen-bonded Turn	trans	-76.1	16	179.9	70.5	0	0	0	0	114.4	K121	K121-S123 PolarHBondContact O-N 3.4Å
124	F	92.8	Very high	94.5	Very high	17 Å²	17	43.5 Å²	43.5	8%	0.075	21%	0.208	C	C	.	.			trans	-66.8	143.1	-178.9	179.8	-99.3	0	0	0	111.3	V86 T120 K121 E122 M126 R128 Q129 E133	V86-F124 HydrophobicContact CG2-CE1 4.11Å; T120-F124 HydrophobicContact CG2-CB 4.32Å; T120-F124 HydrophobicContact CG2-CD1 3.85Å; T120-F124 HydrophobicContact CG2-CD2 3.69Å; T120-F124 HydrophobicContact CG2-CE1 4.03Å; T120-F124 HydrophobicContact CG2-CE2 3.86Å; T120-F124 HydrophobicContact CG2-CG 3.69Å; T120-F124 HydrophobicContact CG2-CZ 4.03Å; K121-F124 WeakPolarHBondContact O-CB 3.44Å; K121-F124 PolarHBondContact O-N 2.94Å; E122-F124 PolarHBondContact O-N 3.46Å; F124-M126 HydrophobicContact CD1-SD 4.48Å; F124-M126 PolarHBondContact O-N 3.34Å; F124-R128 HydrophobicContact CE1-CB 4.26Å; F124-R128 VanDerWaalsContact CE1-O 3.25Å; F124-R128 WeakPolarHBondContact CE1-O 3.41Å; F124-R128 HydrophobicContact CE2-CB 4.49Å; F124-R128 HydrophobicContact CZ-CB 3.75Å; F124-R128 WeakPolarHBondContact CZ-O 3.44Å; F124-Q129 WeakPolarHBondContact CZ-O 3.14Å; F124-E133 HydrophobicContact CD2-CB 4.18Å; F124-E133 HydrophobicContact CE2-CB 3.78Å; F124-E133 HydrophobicContact CE2-CG 3.97Å
125	K	89.5	Confident	94.4	Very high	124 Å²	124	44.7 Å²	44.7	54%	0.539	22%	0.216	S	C	.	.			trans	-76.2	113.9	-177.3	-64.9	177.5	-171	154.4	0	110.2	R127 R128 E133	K125-R127 PolarHBondContact O-N 3.28Å; K125-R128 HydrophobicContact CB-CG 4.06Å; K125-R128 PolarHBondContact O-N 3.09Å; K125-E133 HydrophobicContact CD-CG 4.43Å; K125-E133 IonicContact NZ-OE1 3.93Å; K125-E133 IonicContact NZ-OE2 2.79Å; K125-E133 PolarHBondContact NZ-OE2 3.42Å
126	M	87.7	Confident	94.3	Very high	24 Å²	24	44.7 Å²	44.7	12%	0.118	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.5	37.9	-176.3	-62.4	-60.6	174.9	0	0	115.4	N57 A59 V86 Q88 F124	N57-M126 WeakPolarHBondContact ND2-CE 3.34Å; N57-M126 VanDerWaalsContact O-CE 3.26Å; N57-M126 WeakPolarHBondContact O-CE 3.4Å; A59-M126 VanDerWaalsContact CA-O 3.31Å; A59-M126 WeakPolarHBondContact CA-O 3.37Å; A59-M126 HydrophobicContact CB-CB 4.5Å; A59-M126 WeakPolarHBondContact CB-O 3.49Å; V86-M126 HydrophobicContact CG1-CB 4.07Å; V86-M126 WeakPolarHBondContact CG1-O 3.35Å; V86-M126 HydrophobicContact CG1-SD 3.98Å; Q88-M126 HydrophobicContact CB-CE 4.33Å; Q88-M126 HydrophobicContact CG-CE 3.6Å; F124-M126 HydrophobicContact CD1-SD 4.48Å; F124-M126 PolarHBondContact O-N 3.34Å
127	R	88.4	Confident	94.3	Very high	159 Å²	159	44.8 Å²	44.8	60%	0.6	22%	0.216	S	C	*	.	T	Hydrogen-bonded Turn	trans	-142.7	23	172	-64.5	-170.4	180	178	-0.7	111.7	F62 K125	F62-R127 HydrophobicContact CE2-CG 4.47Å; K125-R127 PolarHBondContact O-N 3.28Å
128	R	92	Very high	94.2	Very high	56 Å²	56	44.8 Å²	44.8	21%	0.211	22%	0.216	C	C	.	.	S	Bend	trans	-135	146.6	-173.7	-55.4	-65.7	-78.6	151.9	1.7	108.1	F124 K125 W132 E133	F124-R128 HydrophobicContact CE1-CB 4.26Å; F124-R128 VanDerWaalsContact CE1-O 3.25Å; F124-R128 WeakPolarHBondContact CE1-O 3.41Å; F124-R128 HydrophobicContact CE2-CB 4.49Å; F124-R128 HydrophobicContact CZ-CB 3.75Å; F124-R128 WeakPolarHBondContact CZ-O 3.44Å; K125-R128 HydrophobicContact CB-CG 4.06Å; K125-R128 PolarHBondContact O-N 3.09Å; R128-W132 HydrophobicContact CB-CB 4.39Å; R128-W132 VanDerWaalsContact NH1-CE3 3.32Å; R128-E133 HydrophobicContact CB-CG 4.04Å; R128-E133 HydrophobicContact CG-CG 3.87Å; R128-E133 IonicContact CZ-OE1 3.76Å; R128-E133 IonicContact NE-OE1 2.88Å; R128-E133 PolarHBondContact NE-OE1 3.17Å; R128-E133 IonicContact NH2-OE1 3.8Å
129	Q	94.4	Very high	94.3	Very high	1 Å²	1	44.8 Å²	44.8	1%	0.005	22%	0.216	C	C	.	.			trans	-74.8	148.9	172.7	-63.7	-162	19.6	0	0	110.3	V84 Q114 A116 F124 G131 W132 H140 A202 H204	V84-Q129 HydrophobicContact CG1-CG 3.66Å; V84-Q129 HydrophobicContact CG2-CG 4.15Å; Q114-Q129 PolarHBondContact O-NE2 3.27Å; A116-Q129 HydrophobicContact CB-CB 4.35Å; F124-Q129 WeakPolarHBondContact CZ-O 3.14Å; Q129-G131 PolarHBondContact O-N 3.21Å; Q129-W132 HydrophobicContact CB-CD2 3.87Å; Q129-W132 HydrophobicContact CB-CE3 4.2Å; Q129-W132 HydrophobicContact CB-CG 4.15Å; Q129-W132 HydrophobicContact CB-CZ2 4.39Å; Q129-W132 HydrophobicContact CG-CD2 4.34Å; Q129-W132 HydrophobicContact CG-CE3 4.31Å; Q129-W132 HydrophobicContact CG-CH2 4.17Å; Q129-W132 HydrophobicContact CG-CZ2 4.17Å; Q129-W132 HydrophobicContact CG-CZ3 4.25Å; Q129-W132 WeakPolarHBondContact O-CB 3.4Å; Q129-W132 PolarHBondContact O-N 3.07Å; Q129-H140 PolarHBondContact OE1-CE1 2.9Å; Q129-H140 PolarHBondContact OE1-ND1 3.2Å; Q129-A202 HydrophobicContact CB-CB 4.39Å; Q129-A202 HydrophobicContact CG-CB 4.12Å; Q129-H204 PolarHBondContact NE2-ND1 3.12Å; Q129-H204 VanDerWaalsContact NE2-ND1 3.15Å
130	P	96.1	Very high	94.2	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55	133.4	174	24.6	-33.9	0	0	0	109.7	A116 T120 G138 H140 T200	A116-P130 HydrophobicContact CB-CG 3.8Å; T120-P130 HydrophobicContact CG2-CB 3.97Å; P130-G138 WeakPolarHBondContact O-CA 3.34Å; P130-H140 PolarHBondContact O-NE2 3.49Å; P130-T200 HydrophobicContact CB-CG2 4.37Å
131	G	95.9	Very high	94.3	Very high	0 Å²	0	45 Å²	45	0%	0	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	91	-8.7	-174.1	0	0	0	0	0	115.3	Q129 S136 Y147 R148 G149	Q129-G131 PolarHBondContact O-N 3.21Å; G131-S136 VanDerWaalsContact CA-OG 3.27Å; G131-S136 WeakPolarHBondContact CA-OG 3.35Å; G131-S136 PolarHBondContact N-OG 3.21Å; G131-Y147 WeakPolarHBondContact CA-O 3.49Å; G131-Y147 CarbonylContact O-C 3.49Å; G131-Y147 WeakPolarHBondContact O-CB 3.32Å; G131-R148 PolarHBondContact O-N 2.81Å; G131-G149 WeakPolarHBondContact O-CA 3.45Å; G131-G149 PolarHBondContact O-N 2.9Å
132	W	94.5	Very high	94.3	Very high	45 Å²	45	44 Å²	44	17%	0.17	22%	0.215	C	C	.	.	S	Bend	trans	-85.6	-16.1	176.7	-75	6.9	0	0	0	114.5	V84 R128 Q129 H140 Y147 H204	V84-W132 HydrophobicContact CG2-CZ3 4.02Å; R128-W132 HydrophobicContact CB-CB 4.39Å; R128-W132 VanDerWaalsContact NH1-CE3 3.32Å; Q129-W132 HydrophobicContact CB-CD2 3.87Å; Q129-W132 HydrophobicContact CB-CE3 4.2Å; Q129-W132 HydrophobicContact CB-CG 4.15Å; Q129-W132 HydrophobicContact CB-CZ2 4.39Å; Q129-W132 HydrophobicContact CG-CD2 4.34Å; Q129-W132 HydrophobicContact CG-CE3 4.31Å; Q129-W132 HydrophobicContact CG-CH2 4.17Å; Q129-W132 HydrophobicContact CG-CZ2 4.17Å; Q129-W132 HydrophobicContact CG-CZ3 4.25Å; Q129-W132 WeakPolarHBondContact O-CB 3.4Å; Q129-W132 PolarHBondContact O-N 3.07Å; W132-H140 AromaticContact CD1-CE1 3.78Å; W132-H140 AromaticContact CE2-CE1 3.92Å; W132-H140 AromaticContact NE1-CE1 3.24Å; W132-H140 PolarHBondContact NE1-CE1 3.41Å; W132-H140 AromaticContact NE1-ND1 3.97Å; W132-Y147 AromaticContact CD1-CD1 3.56Å; W132-Y147 AromaticContact CD1-CG 4Å; W132-Y147 AromaticContact NE1-CD1 3.62Å; W132-Y147 AromaticContact NE1-CE1 3.64Å; W132-H204 AromaticContact CH2-CE1 3.92Å; W132-H204 AromaticContact CH2-ND1 3.97Å
133	E	92.9	Very high	94.5	Very high	40 Å²	40	39.4 Å²	39.4	19%	0.187	20%	0.195	C	C	.	.	S	Bend	trans	-116.7	152.4	174.9	-61.9	-74.1	140.4	0	0	110.6	F124 K125 R128 S136 G149	F124-E133 HydrophobicContact CD2-CB 4.18Å; F124-E133 HydrophobicContact CE2-CB 3.78Å; F124-E133 HydrophobicContact CE2-CG 3.97Å; K125-E133 HydrophobicContact CD-CG 4.43Å; K125-E133 IonicContact NZ-OE1 3.93Å; K125-E133 IonicContact NZ-OE2 2.79Å; K125-E133 PolarHBondContact NZ-OE2 3.42Å; R128-E133 HydrophobicContact CB-CG 4.04Å; R128-E133 HydrophobicContact CG-CG 3.87Å; R128-E133 IonicContact CZ-OE1 3.76Å; R128-E133 IonicContact NE-OE1 2.88Å; R128-E133 PolarHBondContact NE-OE1 3.17Å; R128-E133 IonicContact NH2-OE1 3.8Å; E133-S136 PolarHBondContact O-N 3.03Å; E133-S136 PolarHBondContact O-OG 2.74Å; E133-G149 WeakPolarHBondContact O-CA 3.42Å
134	V	93	Very high	94.8	Very high	104 Å²	104	34.3 Å²	34.3	63%	0.63	16%	0.159	S	C	*	.	T	Hydrogen-bonded Turn	trans	-53.3	148.5	173.9	70.3	0	0	0	0	111.2	S136	V134-S136 PolarHBondContact O-N 3.21Å
135	N	93.8	Very high	95.1	Very high	65 Å²	65	37.7 Å²	37.7	35%	0.348	17%	0.172	S	C	.	.	T	Hydrogen-bonded Turn	trans	61.1	30.8	-174.1	-54.7	-71.9	0	0	0	114	K121 I193	K121-N135 HydrophobicContact CD-CB 3.67Å; K121-N135 HydrophobicContact CG-CB 4.05Å; K121-N135 PolarHBondContact NZ-OD1 3.33Å; N135-I193 HydrophobicContact CB-CG2 3.93Å
136	S	96.5	Very high	95.5	Very high	1 Å²	1	31.8 Å²	31.8	1%	0.007	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	155.7	167.1	68.6	0	0	0	0	111.4	F119 G131 E133 V134 R148	F119-S136 WeakPolarHBondContact O-CA 3.3Å; G131-S136 VanDerWaalsContact CA-OG 3.27Å; G131-S136 WeakPolarHBondContact CA-OG 3.35Å; G131-S136 PolarHBondContact N-OG 3.21Å; E133-S136 PolarHBondContact O-N 3.03Å; E133-S136 PolarHBondContact O-OG 2.74Å; V134-S136 PolarHBondContact O-N 3.21Å; S136-R148 CarbonylContact O-C 3.44Å
137	C	97.5	Very high	95.9	Very high	1 Å²	1	32 Å²	32	1%	0.007	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134	138.2	175.3	-175.3	0	0	0	0	108.7	G118 F119 Y147 F177 I193	G118-C137 CarbonylContact C-O 3.46Å; G118-C137 VanDerWaalsContact CA-O 3.3Å; G118-C137 WeakPolarHBondContact CA-O 3.31Å; F119-C137 PolarHBondContact N-O 3.01Å; F119-C137 PolarHBondContact O-N 3.01Å; C137-Y147 CarbonylContact C-O 3.57Å; C137-Y147 VanDerWaalsContact CA-O 3.3Å; C137-Y147 WeakPolarHBondContact CA-O 3.48Å; C137-F177 HydrophobicContact CB-CD2 4.07Å; C137-F177 HydrophobicContact CB-CE2 3.82Å; C137-F177 HydrophobicContact CB-CZ 4.25Å; C137-I193 HydrophobicContact CB-CD1 4.17Å
138	G	98.2	Very high	96.3	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.9	144.9	176.2	0	0	0	0	0	113.9	I117 P130 Y147	I117-G138 CarbonylContact O-C 3.48Å; I117-G138 VanDerWaalsContact O-CA 3.24Å; I117-G138 WeakPolarHBondContact O-CA 3.24Å; P130-G138 WeakPolarHBondContact O-CA 3.34Å; G138-Y147 PolarHBondContact N-O 2.73Å; G138-Y147 PolarHBondContact O-N 3.26Å
139	Y	98.7	Very high	96.2	Very high	0 Å²	0	27 Å²	27	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	126.7	175.6	173.5	-139.4	0	0	0	109.3	A116 I117 G144 F156 P158 F160 V166 F179	A116-Y139 WeakPolarHBondContact CA-O 3.41Å; I117-Y139 HydrophobicContact CG2-CD1 4.38Å; I117-Y139 PolarHBondContact N-O 2.89Å; I117-Y139 PolarHBondContact O-N 3.34Å; Y139-G144 WeakPolarHBondContact CE2-O 3.34Å; Y139-F156 AromaticContact CD2-CD1 3.84Å; Y139-F156 HydrophobicContact CD2-CD1 3.84Å; Y139-F156 HydrophobicContact CD2-CE1 4.35Å; Y139-F156 HydrophobicContact CE2-CD1 4.07Å; Y139-F156 HydrophobicContact CG-CD1 4.41Å; Y139-F156 HydrophobicContact CG-CE1 4.49Å; Y139-P158 PolarHBondContact OH-O 2.92Å; Y139-F160 HydrophobicContact CD1-CD1 4.22Å; Y139-F160 AromaticContact CD1-CE1 3.78Å; Y139-F160 HydrophobicContact CD1-CE1 3.78Å; Y139-F160 HydrophobicContact CD2-CE1 4.46Å; Y139-F160 AromaticContact CE1-CD1 3.68Å; Y139-F160 HydrophobicContact CE1-CD1 3.68Å; Y139-F160 AromaticContact CE1-CE1 3.73Å; Y139-F160 HydrophobicContact CE1-CE1 3.73Å; Y139-F160 HydrophobicContact CE2-CD1 4.46Å; Y139-F160 HydrophobicContact CE2-CE1 4.39Å; Y139-F160 HydrophobicContact CG-CE1 4.16Å; Y139-F160 AromaticContact CZ-CD1 3.81Å; Y139-V166 HydrophobicContact CD1-CG1 3.84Å; Y139-V166 HydrophobicContact CE1-CG1 3.82Å; Y139-F179 HydrophobicContact CD1-CB 3.96Å; Y139-F179 HydrophobicContact CD1-CD1 4.07Å; Y139-F179 HydrophobicContact CD1-CG 4.18Å; Y139-F179 HydrophobicContact CG-CB 4.46Å; Y139-F179 HydrophobicContact CG-CD1 4.25Å; Y139-F179 HydrophobicContact CG-CG 4.3Å
140	H	98.4	Very high	95.7	Very high	2 Å²	2	35.5 Å²	35.5	1%	0.009	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	141.4	-166.7	-71.9	-143.5	0	0	0	111.1	Q129 P130 W132 D143 G144 Y145 Y147 F160	Q129-H140 PolarHBondContact OE1-CE1 2.9Å; Q129-H140 PolarHBondContact OE1-ND1 3.2Å; P130-H140 PolarHBondContact O-NE2 3.49Å; W132-H140 AromaticContact CD1-CE1 3.78Å; W132-H140 AromaticContact CE2-CE1 3.92Å; W132-H140 AromaticContact NE1-CE1 3.24Å; W132-H140 PolarHBondContact NE1-CE1 3.41Å; W132-H140 AromaticContact NE1-ND1 3.97Å; H140-D143 WeakPolarHBondContact CB-OD1 3.49Å; H140-G144 WeakPolarHBondContact O-CA 3.5Å; H140-G144 PolarHBondContact O-N 3.41Å; H140-Y145 PolarHBondContact N-O 3.01Å; H140-Y147 HydrophobicContact CB-CD2 4.23Å; H140-Y147 HydrophobicContact CB-CE2 3.93Å; H140-Y147 AromaticContact CD2-CD2 3.43Å; H140-Y147 VanDerWaalsContact CD2-CD2 3.43Å; H140-Y147 WeakPolarHBondContact CD2-CD2 3.12Å; H140-Y147 AromaticContact CD2-CE2 3.95Å; H140-Y147 AromaticContact CE1-CD2 3.64Å; H140-Y147 AromaticContact CE1-CE2 3.86Å; H140-Y147 AromaticContact CG-CD2 3.5Å; H140-Y147 VanDerWaalsContact CG-CD2 3.5Å; H140-Y147 AromaticContact CG-CE2 3.5Å; H140-Y147 VanDerWaalsContact CG-CE2 3.5Å; H140-Y147 AromaticContact ND1-CD2 3.62Å; H140-Y147 AromaticContact ND1-CE2 3.42Å; H140-Y147 WeakPolarHBondContact ND1-CE2 3.49Å; H140-Y147 AromaticContact NE2-CD2 3.53Å; H140-Y147 AromaticContact NE2-CG 3.92Å; H140-F160 VanDerWaalsContact C-CE1 3.47Å
141	G	98.2	Very high	94.6	Very high	2 Å²	2	37.6 Å²	37.6	2%	0.021	19%	0.194	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.9	-32.5	-170.1	0	0	0	0	0	115.1	G113 I115 K159 F160	G113-G141 CarbonylContact O-C 3.55Å; I115-G141 PolarHBondContact O-N 3.36Å; G141-K159 WeakPolarHBondContact O-CA 3.41Å; G141-K159 VanDerWaalsContact O-CB 3.26Å; G141-K159 WeakPolarHBondContact O-CB 3.38Å; G141-F160 VanDerWaalsContact CA-CE2 3.45Å; G141-F160 VanDerWaalsContact N-CZ 3.25Å; G141-F160 PolarHBondContact O-N 3.12Å
142	D	96.9	Very high	94.2	Very high	42 Å²	42	46 Å²	46	23%	0.225	23%	0.231	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.7	-33.1	-174.5	59.1	-36	0	0	0	112.7	K112 G113 Q114 K159	K112-D142 WeakPolarHBondContact O-CB 3.2Å; G113-D142 PolarHBondContact O-N 2.9Å; Q114-D142 HydrophobicContact CG-CB 4.03Å; Q114-D142 WeakPolarHBondContact CG-OD2 3.28Å; Q114-D142 PolarHBondContact NE2-OD2 3.46Å; D142-K159 WeakPolarHBondContact O-CD 3.44Å; D142-K159 WeakPolarHBondContact O-CE 3.33Å; D142-K159 PolarHBondContact O-NZ 2.92Å
143	D	97.2	Very high	94.1	Very high	37 Å²	37	44.4 Å²	44.4	20%	0.198	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	-115.1	-20.5	-179.9	61.6	12.9	0	0	0	114.1	H140 Y145 Y147	H140-D143 WeakPolarHBondContact CB-OD1 3.49Å; D143-Y145 VanDerWaalsContact C-N 3.26Å; D143-Y145 HydrophobicContact CB-CD1 4.24Å; D143-Y145 HydrophobicContact CB-CG 4.18Å; D143-Y145 WeakPolarHBondContact O-CD1 3.29Å; D143-Y145 WeakPolarHBondContact OD1-CB 3.23Å; D143-Y145 PolarHBondContact OD1-N 3.38Å; D143-Y147 PolarHBondContact OD2-OH 3.02Å
144	G	98.3	Very high	94.3	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	24%	0.238	C	C	.	.			trans	75.6	15.5	-173.6	0	0	0	0	0	113	Y139 H140 G157 P158	Y139-G144 WeakPolarHBondContact CE2-O 3.34Å; H140-G144 WeakPolarHBondContact O-CA 3.5Å; H140-G144 PolarHBondContact O-N 3.41Å; G144-G157 CarbonylContact O-C 3.56Å; G144-G157 PolarHBondContact O-N 2.96Å; G144-G157 VanDerWaalsContact O-O 3.07Å; G144-P158 WeakPolarHBondContact CA-O 3.34Å
145	Y	98.5	Very high	94.5	Very high	88 Å²	88	46.3 Å²	46.3	35%	0.345	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	157.6	-175.4	-74.5	11.7	0	0	0	111.9	H140 D143 E154 P155	H140-Y145 PolarHBondContact N-O 3.01Å; D143-Y145 VanDerWaalsContact C-N 3.26Å; D143-Y145 HydrophobicContact CB-CD1 4.24Å; D143-Y145 HydrophobicContact CB-CG 4.18Å; D143-Y145 WeakPolarHBondContact O-CD1 3.29Å; D143-Y145 WeakPolarHBondContact OD1-CB 3.23Å; D143-Y145 PolarHBondContact OD1-N 3.38Å; Y145-E154 CarbonylContact C-O 3.57Å; Y145-E154 VanDerWaalsContact CA-O 3.24Å; Y145-E154 WeakPolarHBondContact CA-O 3.42Å; Y145-E154 VanDerWaalsContact CB-O 3.26Å; Y145-E154 WeakPolarHBondContact CB-O 3.2Å; Y145-P155 HydrophobicContact CD1-CB 4.49Å; Y145-P155 HydrophobicContact CE1-CB 4.03Å; Y145-P155 HydrophobicContact CE1-CG 4.01Å
146	L	98	Very high	94.7	Very high	1 Å²	1	45.3 Å²	45.3	1%	0.005	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101	136.3	170.9	-169.5	73.1	0	0	0	110	R148 G153 E154 F156 F179 I189	L146-R148 HydrophobicContact CD2-CG 4.18Å; L146-R148 HydrophobicContact CG-CG 4.21Å; L146-G153 CarbonylContact O-C 3.58Å; L146-G153 VanDerWaalsContact O-CA 3.3Å; L146-G153 WeakPolarHBondContact O-CA 3.4Å; L146-E154 HydrophobicContact CB-CG 4.06Å; L146-E154 PolarHBondContact N-O 3.33Å; L146-E154 PolarHBondContact O-N 3.28Å; L146-F156 HydrophobicContact CB-CB 3.58Å; L146-F156 HydrophobicContact CB-CD1 4.07Å; L146-F156 HydrophobicContact CB-CD2 4.09Å; L146-F156 HydrophobicContact CB-CG 3.66Å; L146-F156 HydrophobicContact CD1-CD1 4.28Å; L146-F156 HydrophobicContact CD1-CE1 4.28Å; L146-F156 HydrophobicContact CD2-CD2 3.92Å; L146-F156 HydrophobicContact CD2-CE2 4.05Å; L146-F156 HydrophobicContact CD2-CG 4.29Å; L146-F156 HydrophobicContact CG-CG 4.4Å; L146-F179 HydrophobicContact CD1-CD2 4.04Å; L146-F179 HydrophobicContact CD1-CE2 3.49Å; L146-F179 VanDerWaalsContact CD1-CE2 3.49Å; L146-F179 HydrophobicContact CD1-CZ 4.05Å; L146-I189 HydrophobicContact CD2-CB 4.3Å; L146-I189 HydrophobicContact CD2-CD1 3.66Å; L146-I189 HydrophobicContact CD2-CG1 3.81Å; L146-I189 HydrophobicContact CD2-CG2 3.64Å
147	Y	97.5	Very high	94.7	Very high	29 Å²	29	46.4 Å²	46.4	11%	0.114	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	132.1	178.5	-69.7	-101.5	0	0	0	109.6	G131 W132 C137 G138 H140 D143 G153	G131-Y147 WeakPolarHBondContact CA-O 3.49Å; G131-Y147 CarbonylContact O-C 3.49Å; G131-Y147 WeakPolarHBondContact O-CB 3.32Å; W132-Y147 AromaticContact CD1-CD1 3.56Å; W132-Y147 AromaticContact CD1-CG 4Å; W132-Y147 AromaticContact NE1-CD1 3.62Å; W132-Y147 AromaticContact NE1-CE1 3.64Å; C137-Y147 CarbonylContact C-O 3.57Å; C137-Y147 VanDerWaalsContact CA-O 3.3Å; C137-Y147 WeakPolarHBondContact CA-O 3.48Å; G138-Y147 PolarHBondContact N-O 2.73Å; G138-Y147 PolarHBondContact O-N 3.26Å; H140-Y147 HydrophobicContact CB-CD2 4.23Å; H140-Y147 HydrophobicContact CB-CE2 3.93Å; H140-Y147 AromaticContact CD2-CD2 3.43Å; H140-Y147 VanDerWaalsContact CD2-CD2 3.43Å; H140-Y147 WeakPolarHBondContact CD2-CD2 3.12Å; H140-Y147 AromaticContact CD2-CE2 3.95Å; H140-Y147 AromaticContact CE1-CD2 3.64Å; H140-Y147 AromaticContact CE1-CE2 3.86Å; H140-Y147 AromaticContact CG-CD2 3.5Å; H140-Y147 VanDerWaalsContact CG-CD2 3.5Å; H140-Y147 AromaticContact CG-CE2 3.5Å; H140-Y147 VanDerWaalsContact CG-CE2 3.5Å; H140-Y147 AromaticContact ND1-CD2 3.62Å; H140-Y147 AromaticContact ND1-CE2 3.42Å; H140-Y147 WeakPolarHBondContact ND1-CE2 3.49Å; H140-Y147 AromaticContact NE2-CD2 3.53Å; H140-Y147 AromaticContact NE2-CG 3.92Å; D143-Y147 PolarHBondContact OD2-OH 3.02Å; Y147-G153 VanDerWaalsContact CE1-CA 3.42Å
148	R	95.1	Very high	94.8	Very high	92 Å²	92	49.6 Å²	49.6	35%	0.347	26%	0.264	S	S	.	.			trans	-129.6	29.8	-171.9	-55.8	-179.3	72	-149.3	0.7	113.7	G131 S136 L146 E154 I189 P190 D192	G131-R148 PolarHBondContact O-N 2.81Å; S136-R148 CarbonylContact O-C 3.44Å; L146-R148 HydrophobicContact CD2-CG 4.18Å; L146-R148 HydrophobicContact CG-CG 4.21Å; R148-E154 WeakPolarHBondContact CD-OE1 3.46Å; R148-I189 HydrophobicContact CG-CD1 4.41Å; R148-P190 PolarHBondContact NH2-O 3.28Å; R148-D192 IonicContact CZ-OD2 2.71Å; R148-D192 IonicContact NH1-OD2 4Å; R148-D192 IonicContact NH2-OD2 2.62Å; R148-D192 PolarHBondContact NH2-OD2 2.9Å
149	G	90.8	Very high	94.8	Very high	16 Å²	16	55.8 Å²	55.8	17%	0.165	29%	0.291	C	S	.	.	S	Bend	trans	94.8	-3.6	172.3	0	0	0	0	0	116.3	G131 E133	G131-G149 WeakPolarHBondContact O-CA 3.45Å; G131-G149 PolarHBondContact O-N 2.9Å; E133-G149 WeakPolarHBondContact O-CA 3.42Å
150	Q	83.1	Confident	94.8	Very high	180 Å²	180	56 Å²	56	84%	0.841	29%	0.292	S	S	*	.	S	Bend	trans	-90.3	3.7	179.3	-64.3	-176.5	-19.7	0	0	113.4	K152	Q150-K152 PolarHBondContact O-N 2.97Å
151	G	73.4	Confident	94.8	Very high	44 Å²	44	59.2 Å²	59.2	45%	0.454	31%	0.311	S	S	.	.	S	Bend	trans	72.2	-21.8	-177.7	0	0	0	0	0	115.2
152	K	88	Confident	94.8	Very high	178 Å²	178	64.2 Å²	64.2	77%	0.774	33%	0.332	S	S	*	.			trans	-94.6	126	171.6	-172.6	179.6	179	-175.8	0	110.4	Q150	Q150-K152 PolarHBondContact O-N 2.97Å
153	G	92.9	Very high	94.9	Very high	11 Å²	11	67.1 Å²	67.1	11%	0.113	35%	0.348	C	S	.	.			trans	-80.3	154.9	173.7	0	0	0	0	0	112.4	L146 Y147	L146-G153 CarbonylContact O-C 3.58Å; L146-G153 VanDerWaalsContact O-CA 3.3Å; L146-G153 WeakPolarHBondContact O-CA 3.4Å; Y147-G153 VanDerWaalsContact CE1-CA 3.42Å
154	E	95.6	Very high	95	Very high	83 Å²	83	66.2 Å²	66.2	39%	0.388	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	144.2	173.5	66.9	-169.1	166.1	0	0	111.3	Y145 L146 R148 F156	Y145-E154 CarbonylContact C-O 3.57Å; Y145-E154 VanDerWaalsContact CA-O 3.24Å; Y145-E154 WeakPolarHBondContact CA-O 3.42Å; Y145-E154 VanDerWaalsContact CB-O 3.26Å; Y145-E154 WeakPolarHBondContact CB-O 3.2Å; L146-E154 HydrophobicContact CB-CG 4.06Å; L146-E154 PolarHBondContact N-O 3.33Å; L146-E154 PolarHBondContact O-N 3.28Å; R148-E154 WeakPolarHBondContact CD-OE1 3.46Å; E154-F156 PolarHBondContact O-N 3.49Å
155	P	97.6	Very high	95	Very high	101 Å²	101	66.9 Å²	66.9	66%	0.656	35%	0.349	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-55.4	127.5	172.6	-23	32.9	0	0	0	110.8	Y145	Y145-P155 HydrophobicContact CD1-CB 4.49Å; Y145-P155 HydrophobicContact CE1-CB 4.03Å; Y145-P155 HydrophobicContact CE1-CG 4.01Å
156	F	98.2	Very high	95	Very high	44 Å²	44	62.7 Å²	62.7	19%	0.193	33%	0.332	C	S	.	.			trans	-140.7	-53.8	-172.6	178	-108.4	0	0	0	112.9	Y139 L146 E154 F179 V186 G187 I189	Y139-F156 AromaticContact CD2-CD1 3.84Å; Y139-F156 HydrophobicContact CD2-CD1 3.84Å; Y139-F156 HydrophobicContact CD2-CE1 4.35Å; Y139-F156 HydrophobicContact CE2-CD1 4.07Å; Y139-F156 HydrophobicContact CG-CD1 4.41Å; Y139-F156 HydrophobicContact CG-CE1 4.49Å; L146-F156 HydrophobicContact CB-CB 3.58Å; L146-F156 HydrophobicContact CB-CD1 4.07Å; L146-F156 HydrophobicContact CB-CD2 4.09Å; L146-F156 HydrophobicContact CB-CG 3.66Å; L146-F156 HydrophobicContact CD1-CD1 4.28Å; L146-F156 HydrophobicContact CD1-CE1 4.28Å; L146-F156 HydrophobicContact CD2-CD2 3.92Å; L146-F156 HydrophobicContact CD2-CE2 4.05Å; L146-F156 HydrophobicContact CD2-CG 4.29Å; L146-F156 HydrophobicContact CG-CG 4.4Å; E154-F156 PolarHBondContact O-N 3.49Å; F156-F179 HydrophobicContact CE1-CB 3.95Å; F156-F179 AromaticContact CE1-CD2 3.75Å; F156-F179 HydrophobicContact CE1-CD2 3.75Å; F156-F179 HydrophobicContact CE1-CG 4.14Å; F156-F179 HydrophobicContact CZ-CB 4.39Å; F156-F179 AromaticContact CZ-CD2 3.81Å; F156-F179 HydrophobicContact CZ-CD2 3.81Å; F156-V186 HydrophobicContact CD1-CG1 4.24Å; F156-V186 HydrophobicContact CE1-CG1 4.08Å; F156-G187 VanDerWaalsContact CZ-CA 3.5Å; F156-I189 HydrophobicContact CD2-CG2 4.46Å; F156-I189 HydrophobicContact CE2-CG2 3.97Å
157	G	97.4	Very high	95.1	Very high	24 Å²	24	62.7 Å²	62.7	25%	0.247	33%	0.332	C	S	.	.	S	Bend	trans	-140.4	179.1	-173.4	0	0	0	0	0	113.6	G144	G144-G157 CarbonylContact O-C 3.56Å; G144-G157 PolarHBondContact O-N 2.96Å; G144-G157 VanDerWaalsContact O-O 3.07Å
158	P	98.3	Very high	95.1	Very high	68 Å²	68	61.3 Å²	61.3	44%	0.442	33%	0.327	S	S	.	.			trans	-65.8	162.2	168.9	30.7	-34.4	0	0	0	110.2	Y139 G144 K181	Y139-P158 PolarHBondContact OH-O 2.92Å; G144-P158 WeakPolarHBondContact CA-O 3.34Å; P158-K181 HydrophobicContact CG-CD 3.83Å
159	K	98.5	Very high	95.3	Very high	130 Å²	130	56.9 Å²	56.9	57%	0.565	31%	0.31	S	S	*	.			trans	-64.5	159.2	163.8	-64.3	180	-177.1	-144.5	0	110.3	G141 D142 K181	G141-K159 WeakPolarHBondContact O-CA 3.41Å; G141-K159 VanDerWaalsContact O-CB 3.26Å; G141-K159 WeakPolarHBondContact O-CB 3.38Å; D142-K159 WeakPolarHBondContact O-CD 3.44Å; D142-K159 WeakPolarHBondContact O-CE 3.33Å; D142-K159 PolarHBondContact O-NZ 2.92Å; K159-K181 PolarHBondContact O-NZ 2.91Å
160	F	98.7	Very high	95.7	Very high	5 Å²	5	56.1 Å²	56.1	2%	0.022	30%	0.302	C	S	.	.			trans	-134.1	149.5	170.4	60.5	-103.3	0	0	0	111.1	V106 I115 Y139 H140 G141 D164 V166 K181	V106-F160 HydrophobicContact CG2-CD2 4.02Å; V106-F160 HydrophobicContact CG2-CE2 4.38Å; I115-F160 HydrophobicContact CB-CE2 3.99Å; I115-F160 HydrophobicContact CG2-CE2 3.91Å; I115-F160 WeakPolarHBondContact O-CZ 3.26Å; Y139-F160 HydrophobicContact CD1-CD1 4.22Å; Y139-F160 AromaticContact CD1-CE1 3.78Å; Y139-F160 HydrophobicContact CD1-CE1 3.78Å; Y139-F160 HydrophobicContact CD2-CE1 4.46Å; Y139-F160 AromaticContact CE1-CD1 3.68Å; Y139-F160 HydrophobicContact CE1-CD1 3.68Å; Y139-F160 AromaticContact CE1-CE1 3.73Å; Y139-F160 HydrophobicContact CE1-CE1 3.73Å; Y139-F160 HydrophobicContact CE2-CD1 4.46Å; Y139-F160 HydrophobicContact CE2-CE1 4.39Å; Y139-F160 HydrophobicContact CG-CE1 4.16Å; Y139-F160 AromaticContact CZ-CD1 3.81Å; H140-F160 VanDerWaalsContact C-CE1 3.47Å; G141-F160 VanDerWaalsContact CA-CE2 3.45Å; G141-F160 VanDerWaalsContact N-CZ 3.25Å; G141-F160 PolarHBondContact O-N 3.12Å; F160-D164 VanDerWaalsContact CA-OD2 3.26Å; F160-D164 WeakPolarHBondContact CA-OD2 3.29Å; F160-D164 HydrophobicContact CB-CB 4.16Å; F160-D164 WeakPolarHBondContact CB-OD2 3.16Å; F160-V166 HydrophobicContact CB-CG2 3.73Å; F160-V166 HydrophobicContact CD1-CG1 4.1Å; F160-V166 HydrophobicContact CD1-CG2 3.92Å; F160-V166 HydrophobicContact CD2-CG2 3.75Å; F160-V166 HydrophobicContact CE1-CG1 4.06Å; F160-V166 HydrophobicContact CE1-CG2 4.44Å; F160-V166 HydrophobicContact CE2-CG2 4.29Å; F160-V166 HydrophobicContact CG-CG2 3.54Å; F160-V166 HydrophobicContact CZ-CG1 4.45Å; F160-K181 HydrophobicContact CB-CD 4.23Å
161	T	98.6	Very high	96.3	Very high	69 Å²	69	47.6 Å²	47.6	42%	0.423	26%	0.262	S	S	.	.			trans	-148.6	-168.7	-170.5	-168.6	0	0	0	0	110	V106 S109 D163 D164	V106-T161 VanDerWaalsContact CB-O 3.27Å; V106-T161 WeakPolarHBondContact CB-O 3.32Å; S109-T161 WeakPolarHBondContact CB-OG1 3.48Å; S109-T161 PolarHBondContact OG-OG1 3.11Å; T161-D163 PolarHBondContact O-N 3.32Å; T161-D164 PolarHBondContact N-OD2 3.13Å; T161-D164 VanDerWaalsContact O-CB 3.25Å; T161-D164 WeakPolarHBondContact O-CB 3.43Å; T161-D164 PolarHBondContact O-N 3.48Å; T161-D164 VanDerWaalsContact O-N 3.11Å
162	K	98.5	Very high	97.4	Very high	107 Å²	107	45.6 Å²	45.6	47%	0.465	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-44.2	138.3	176.5	-176.4	177.5	175.7	-179.3	0	112.4	V106 D164	V106-K162 WeakPolarHBondContact O-CA 3.38Å; K162-D164 PolarHBondContact O-N 3.07Å
163	D	98.7	Very high	97.5	Very high	103 Å²	103	39.5 Å²	39.5	55%	0.551	22%	0.224	S	C	*	.	T	Hydrogen-bonded Turn	trans	69.5	3.2	-178.9	-54.8	-45.2	0	0	0	115.3	F105 V106 T161	F105-D163 HydrophobicContact CZ-CB 4.4Å; V106-D163 PolarHBondContact O-N 3.33Å; T161-D163 PolarHBondContact O-N 3.32Å
164	D	98.9	Very high	97.5	Very high	18 Å²	18	41.3 Å²	41.3	10%	0.096	24%	0.235	C	C	.	.			trans	-81.1	138.7	170	-69.9	-45.6	0	0	0	111.9	V106 F160 T161 K162 V166 K181 N182	V106-D164 PolarHBondContact N-O 2.85Å; F160-D164 VanDerWaalsContact CA-OD2 3.26Å; F160-D164 WeakPolarHBondContact CA-OD2 3.29Å; F160-D164 HydrophobicContact CB-CB 4.16Å; F160-D164 WeakPolarHBondContact CB-OD2 3.16Å; T161-D164 PolarHBondContact N-OD2 3.13Å; T161-D164 VanDerWaalsContact O-CB 3.25Å; T161-D164 WeakPolarHBondContact O-CB 3.43Å; T161-D164 PolarHBondContact O-N 3.48Å; T161-D164 VanDerWaalsContact O-N 3.11Å; K162-D164 PolarHBondContact O-N 3.07Å; D164-V166 HydrophobicContact CB-CG2 4.25Å; D164-K181 WeakPolarHBondContact OD1-CE 3.33Å; D164-K181 IonicContact OD1-NZ 2.83Å; D164-K181 PolarHBondContact OD1-NZ 2.69Å; D164-K181 WeakPolarHBondContact OD2-CE 3.4Å; D164-K181 IonicContact OD2-NZ 2.91Å; D164-K181 PolarHBondContact OD2-NZ 2.79Å; D164-N182 WeakPolarHBondContact CA-OD1 3.47Å; D164-N182 PolarHBondContact OD1-ND2 2.98Å
165	A	98.8	Very high	97.4	Very high	14 Å²	14	38.9 Å²	38.9	12%	0.116	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	119.5	165.1	0	0	0	0	0	109.4	I104 K181 N182 A220	I104-A165 CarbonylContact O-C 3.58Å; I104-A165 WeakPolarHBondContact O-CA 3.21Å; A165-K181 CarbonylContact O-C 3.58Å; A165-K181 WeakPolarHBondContact O-CA 3.06Å; A165-N182 PolarHBondContact N-OD1 3.21Å; A165-N182 PolarHBondContact O-N 3.39Å; A165-N182 PolarHBondContact O-OD1 3.36Å; A165-A220 HydrophobicContact CB-CB 3.8Å
166	V	98.9	Very high	97.4	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	134.4	-175.5	-171.5	0	0	0	0	109	E103 I104 I117 Y139 F160 D164 T180	E103-V166 CarbonylContact C-O 3.55Å; E103-V166 VanDerWaalsContact CA-O 3.32Å; E103-V166 WeakPolarHBondContact CA-O 3.42Å; I104-V166 HydrophobicContact CG1-CB 4.02Å; I104-V166 PolarHBondContact N-O 3.32Å; I104-V166 PolarHBondContact O-N 3.17Å; I117-V166 HydrophobicContact CG2-CG1 3.86Å; Y139-V166 HydrophobicContact CD1-CG1 3.84Å; Y139-V166 HydrophobicContact CE1-CG1 3.82Å; F160-V166 HydrophobicContact CB-CG2 3.73Å; F160-V166 HydrophobicContact CD1-CG1 4.1Å; F160-V166 HydrophobicContact CD1-CG2 3.92Å; F160-V166 HydrophobicContact CD2-CG2 3.75Å; F160-V166 HydrophobicContact CE1-CG1 4.06Å; F160-V166 HydrophobicContact CE1-CG2 4.44Å; F160-V166 HydrophobicContact CE2-CG2 4.29Å; F160-V166 HydrophobicContact CG-CG2 3.54Å; F160-V166 HydrophobicContact CZ-CG1 4.45Å; D164-V166 HydrophobicContact CB-CG2 4.25Å; V166-T180 CarbonylContact C-O 3.58Å; V166-T180 VanDerWaalsContact CA-O 3.29Å; V166-T180 WeakPolarHBondContact CA-O 3.21Å; V166-T180 WeakPolarHBondContact CG1-O 3.46Å
167	G	98.9	Very high	97.4	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	154.2	-177	0	0	0	0	0	113	Y101 F102 F179 T180	Y101-G167 WeakPolarHBondContact OH-CA 3.49Å; F102-G167 CarbonylContact O-C 3.54Å; F102-G167 WeakPolarHBondContact O-CA 3.42Å; G167-F179 CarbonylContact O-C 3.57Å; G167-F179 VanDerWaalsContact O-CA 3.23Å; G167-F179 WeakPolarHBondContact O-CA 3.49Å; G167-T180 VanDerWaalsContact CA-OG1 3.29Å; G167-T180 WeakPolarHBondContact CA-OG1 3.42Å; G167-T180 PolarHBondContact N-O 2.75Å; G167-T180 PolarHBondContact N-OG1 3.29Å; G167-T180 PolarHBondContact O-N 3.03Å
168	G	98.8	Very high	97.5	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	132.9	173.7	0	0	0	0	0	109.3	Y101 F102	Y101-G168 WeakPolarHBondContact CA-O 3.38Å; F102-G168 VanDerWaalsContact CD1-O 3.29Å; F102-G168 WeakPolarHBondContact CD1-O 3.42Å; F102-G168 PolarHBondContact N-O 2.82Å; F102-G168 PolarHBondContact O-N 3.33Å
169	G	98.6	Very high	97.5	Very high	0 Å²	0	30 Å²	30	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	163.5	178.4	0	0	0	0	0	113.9	Y100 F177 F178	Y100-G169 CarbonylContact O-C 3.58Å; Y100-G169 WeakPolarHBondContact O-CA 3.48Å; G169-F177 WeakPolarHBondContact O-CA 3.45Å; G169-F178 VanDerWaalsContact C-CE1 3.45Å; G169-F178 PolarHBondContact N-O 2.96Å; G169-F178 PolarHBondContact O-N 3.15Å
170	I	98.4	Very high	97.5	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	119.6	175.5	-59.1	167	0	0	0	107.3	A93 T99 Y100 F119 Y172 E176 F177 K191 L197	A93-I170 HydrophobicContact CB-CD1 4.21Å; T99-I170 CarbonylContact C-O 3.56Å; T99-I170 WeakPolarHBondContact CA-O 3.45Å; T99-I170 WeakPolarHBondContact CG2-O 3.44Å; Y100-I170 PolarHBondContact N-O 3.25Å; Y100-I170 PolarHBondContact O-N 3.36Å; F119-I170 HydrophobicContact CD1-CD1 3.87Å; F119-I170 HydrophobicContact CD1-CG1 4.41Å; F119-I170 HydrophobicContact CD2-CD1 4.45Å; F119-I170 HydrophobicContact CD2-CG1 4.2Å; F119-I170 HydrophobicContact CE1-CD1 3.77Å; F119-I170 HydrophobicContact CE1-CG1 4.08Å; F119-I170 HydrophobicContact CE2-CD1 4.37Å; F119-I170 HydrophobicContact CE2-CG1 3.86Å; F119-I170 HydrophobicContact CG-CD1 4.21Å; F119-I170 HydrophobicContact CG-CG1 4.46Å; F119-I170 HydrophobicContact CZ-CD1 4.04Å; F119-I170 HydrophobicContact CZ-CG1 3.8Å; I170-Y172 HydrophobicContact CB-CE1 4.29Å; I170-Y172 HydrophobicContact CB-CE2 4.3Å; I170-Y172 HydrophobicContact CD1-CE1 4.46Å; I170-Y172 HydrophobicContact CG2-CD1 3.56Å; I170-Y172 HydrophobicContact CG2-CD2 4.22Å; I170-Y172 HydrophobicContact CG2-CE1 3.38Å; I170-Y172 HydrophobicContact CG2-CE2 4.06Å; I170-Y172 HydrophobicContact CG2-CG 4Å; I170-E176 CarbonylContact C-O 3.08Å; I170-E176 WeakPolarHBondContact CA-O 3.46Å; I170-F177 HydrophobicContact CD1-CE1 4.03Å; I170-F177 HydrophobicContact CG1-CD1 3.66Å; I170-F177 HydrophobicContact CG1-CE1 3.67Å; I170-K191 HydrophobicContact CG1-CD 4.47Å; I170-K191 HydrophobicContact CG2-CD 3.47Å; I170-K191 VanDerWaalsContact CG2-CD 3.47Å; I170-L197 HydrophobicContact CD1-CB 4.5Å; I170-L197 HydrophobicContact CD1-CD1 4.19Å
171	N	97.4	Very high	97.5	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	107.4	165.4	-175.2	-16.1	0	0	0	108.1	A173 S174 Q175 E176 Y226 E230	N171-A173 VanDerWaalsContact C-N 3.34Å; N171-A173 PolarHBondContact OD1-N 2.92Å; N171-S174 WeakPolarHBondContact CB-OG 3.44Å; N171-S174 PolarHBondContact ND2-OG 3.34Å; N171-S174 VanDerWaalsContact ND2-OG 3.12Å; N171-S174 PolarHBondContact OD1-N 3.5Å; N171-Q175 VanDerWaalsContact O-CA 3.26Å; N171-Q175 WeakPolarHBondContact O-CA 3.4Å; N171-Q175 PolarHBondContact O-N 3.48Å; N171-E176 PolarHBondContact N-O 3.24Å; N171-E176 PolarHBondContact O-N 3.48Å; N171-Y226 PolarHBondContact ND2-OH 3.47Å; N171-Y226 VanDerWaalsContact ND2-OH 3.15Å; N171-E230 PolarHBondContact ND2-OE2 2.95Å
172	Y	95	Very high	97.5	Very high	2 Å²	2	26.2 Å²	26.2	1%	0.008	14%	0.143	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.5	-19.2	-178.1	-66	-69.9	0	0	0	113.1	P94 I95 C97 L98 I170 Q175 Q453	P94-Y172 WeakPolarHBondContact O-CE2 3.47Å; P94-Y172 PolarHBondContact O-OH 3.3Å; I95-Y172 HydrophobicContact CG2-CE1 4.09Å; C97-Y172 WeakPolarHBondContact O-CD2 3.41Å; L98-Y172 PolarHBondContact O-N 3.42Å; I170-Y172 HydrophobicContact CB-CE1 4.29Å; I170-Y172 HydrophobicContact CB-CE2 4.3Å; I170-Y172 HydrophobicContact CD1-CE1 4.46Å; I170-Y172 HydrophobicContact CG2-CD1 3.56Å; I170-Y172 HydrophobicContact CG2-CD2 4.22Å; I170-Y172 HydrophobicContact CG2-CE1 3.38Å; I170-Y172 HydrophobicContact CG2-CE2 4.06Å; I170-Y172 HydrophobicContact CG2-CG 4Å; Y172-Q175 PolarHBondContact O-NE2 2.98Å; Y172-Q453 HydrophobicContact CD1-CB 3.66Å; Y172-Q453 HydrophobicContact CD1-CG 4.5Å; Y172-Q453 HydrophobicContact CE1-CB 4.01Å; Y172-Q453 HydrophobicContact CE1-CG 4.39Å; Y172-Q453 HydrophobicContact CG-CB 4.47Å
173	A	90.4	Very high	97.5	Very high	50 Å²	50	22.2 Å²	22.2	41%	0.413	13%	0.132	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.3	-43.1	174.5	0	0	0	0	0	111.9	L98 N171 Q234	L98-A173 HydrophobicContact CD1-CB 3.42Å; L98-A173 VanDerWaalsContact CD1-CB 3.42Å; N171-A173 VanDerWaalsContact C-N 3.34Å; N171-A173 PolarHBondContact OD1-N 2.92Å; A173-Q234 VanDerWaalsContact CB-NE2 3.28Å
174	S	92.7	Very high	97.5	Very high	49 Å²	49	21.9 Å²	21.9	34%	0.343	13%	0.134	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.7	-8.1	175.5	61.8	0	0	0	0	113.8	N171 E176	N171-S174 WeakPolarHBondContact CB-OG 3.44Å; N171-S174 PolarHBondContact ND2-OG 3.34Å; N171-S174 VanDerWaalsContact ND2-OG 3.12Å; N171-S174 PolarHBondContact OD1-N 3.5Å; S174-E176 VanDerWaalsContact CB-OE2 3.31Å; S174-E176 WeakPolarHBondContact CB-OE2 3.47Å; S174-E176 VanDerWaalsContact OG-CD 3.28Å; S174-E176 WeakPolarHBondContact OG-CG 3.41Å; S174-E176 PolarHBondContact OG-OE2 2.88Å
175	Q	94.1	Very high	97.5	Very high	32 Å²	32	23.7 Å²	23.7	15%	0.15	14%	0.143	C	C	.	.	T	Hydrogen-bonded Turn	trans	53.6	53.5	-171.5	-66.6	-66.8	-37.3	0	0	111.6	N171 Y172 K191	N171-Q175 VanDerWaalsContact O-CA 3.26Å; N171-Q175 WeakPolarHBondContact O-CA 3.4Å; N171-Q175 PolarHBondContact O-N 3.48Å; Y172-Q175 PolarHBondContact O-NE2 2.98Å; Q175-K191 VanDerWaalsContact O-CB 3.29Å; Q175-K191 WeakPolarHBondContact O-CB 3.22Å; Q175-K191 PolarHBondContact O-N 3.12Å
176	E	97.3	Very high	97.4	Very high	51 Å²	51	24.8 Å²	24.8	24%	0.238	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	143.8	-178.6	-66.5	173.1	139.4	0	0	111.7	I170 N171 S174 I189	I170-E176 CarbonylContact C-O 3.08Å; I170-E176 WeakPolarHBondContact CA-O 3.46Å; N171-E176 PolarHBondContact N-O 3.24Å; N171-E176 PolarHBondContact O-N 3.48Å; S174-E176 VanDerWaalsContact CB-OE2 3.31Å; S174-E176 WeakPolarHBondContact CB-OE2 3.47Å; S174-E176 VanDerWaalsContact OG-CD 3.28Å; S174-E176 WeakPolarHBondContact OG-CG 3.41Å; S174-E176 PolarHBondContact OG-OE2 2.88Å; E176-I189 CarbonylContact C-O 3.41Å; E176-I189 WeakPolarHBondContact CA-O 3.5Å; E176-I189 WeakPolarHBondContact CB-O 3.37Å
177	F	98.4	Very high	97.4	Very high	1 Å²	1	25.5 Å²	25.5	0%	0.004	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	144.8	155.4	-62.6	-68.6	0	0	0	109.2	F119 C137 G169 I170 F179 K188 I189 K191 I193 L197	F119-F177 HydrophobicContact CB-CE1 3.85Å; F119-F177 HydrophobicContact CB-CZ 4.28Å; F119-F177 AromaticContact CD2-CD1 3.54Å; F119-F177 HydrophobicContact CD2-CD1 3.54Å; F119-F177 AromaticContact CD2-CE1 3.5Å; F119-F177 HydrophobicContact CD2-CE1 3.5Å; F119-F177 AromaticContact CE2-CD1 3.98Å; F119-F177 HydrophobicContact CE2-CD1 3.98Å; F119-F177 HydrophobicContact CE2-CE1 4.27Å; F119-F177 HydrophobicContact CG-CD1 4.32Å; F119-F177 AromaticContact CG-CE1 3.82Å; F119-F177 HydrophobicContact CG-CE1 3.82Å; C137-F177 HydrophobicContact CB-CD2 4.07Å; C137-F177 HydrophobicContact CB-CE2 3.82Å; C137-F177 HydrophobicContact CB-CZ 4.25Å; G169-F177 WeakPolarHBondContact O-CA 3.45Å; I170-F177 HydrophobicContact CD1-CE1 4.03Å; I170-F177 HydrophobicContact CG1-CD1 3.66Å; I170-F177 HydrophobicContact CG1-CE1 3.67Å; F177-F179 HydrophobicContact CB-CE2 4.25Å; F177-K188 CarbonylContact O-C 3.6Å; F177-K188 VanDerWaalsContact O-CA 3.27Å; F177-K188 WeakPolarHBondContact O-CA 3.34Å; F177-I189 HydrophobicContact CB-CD1 4.23Å; F177-I189 HydrophobicContact CB-CG1 3.97Å; F177-I189 HydrophobicContact CD2-CD1 3.87Å; F177-I189 HydrophobicContact CD2-CG1 4.47Å; F177-I189 PolarHBondContact N-O 2.95Å; F177-I189 PolarHBondContact O-N 3.39Å; F177-K191 HydrophobicContact CD1-CD 4.46Å; F177-K191 HydrophobicContact CD1-CG 4.43Å; F177-K191 HydrophobicContact CD2-CB 3.97Å; F177-K191 HydrophobicContact CD2-CG 4.07Å; F177-K191 HydrophobicContact CE1-CD 4Å; F177-K191 HydrophobicContact CE1-CG 3.97Å; F177-K191 HydrophobicContact CE2-CB 3.96Å; F177-K191 HydrophobicContact CE2-CG 3.59Å; F177-K191 HydrophobicContact CG-CB 4.37Å; F177-K191 HydrophobicContact CG-CG 4.48Å; F177-K191 HydrophobicContact CZ-CB 4.34Å; F177-K191 HydrophobicContact CZ-CD 4.04Å; F177-K191 HydrophobicContact CZ-CG 3.54Å; F177-I193 HydrophobicContact CE2-CD1 3.88Å; F177-I193 HydrophobicContact CE2-CG1 4.28Å; F177-I193 HydrophobicContact CZ-CD1 3.95Å; F177-I193 HydrophobicContact CZ-CG1 4.47Å; F177-L197 HydrophobicContact CE1-CD1 3.79Å; F177-L197 HydrophobicContact CZ-CD1 3.61Å
178	F	98.7	Very high	97.4	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	150.9	167.9	67.6	-84	0	0	0	110	T99 Y101 G169 T180 I185 G187 K188 F221 I223 Y226	T99-F178 HydrophobicContact CG2-CE1 3.65Å; T99-F178 HydrophobicContact CG2-CZ 3.76Å; Y101-F178 AromaticContact CD2-CE2 3.49Å; Y101-F178 HydrophobicContact CD2-CE2 3.49Å; Y101-F178 VanDerWaalsContact CD2-CE2 3.49Å; Y101-F178 AromaticContact CD2-CZ 3.66Å; Y101-F178 HydrophobicContact CD2-CZ 3.66Å; Y101-F178 AromaticContact CE2-CE2 3.76Å; Y101-F178 HydrophobicContact CE2-CE2 3.76Å; Y101-F178 HydrophobicContact CE2-CZ 4.4Å; Y101-F178 HydrophobicContact CG-CZ 4.4Å; G169-F178 VanDerWaalsContact C-CE1 3.45Å; G169-F178 PolarHBondContact N-O 2.96Å; G169-F178 PolarHBondContact O-N 3.15Å; F178-T180 HydrophobicContact CD2-CG2 4.12Å; F178-T180 HydrophobicContact CE2-CG2 4.24Å; F178-I185 HydrophobicContact CD2-CG1 4.45Å; F178-G187 WeakPolarHBondContact CA-O 3.18Å; F178-K188 HydrophobicContact CB-CB 4.49Å; F178-K188 HydrophobicContact CB-CG 3.87Å; F178-F221 HydrophobicContact CE2-CD1 4.42Å; F178-F221 AromaticContact CE2-CE1 3.83Å; F178-F221 HydrophobicContact CE2-CE1 3.83Å; F178-F221 HydrophobicContact CE2-CZ 4.41Å; F178-F221 HydrophobicContact CZ-CE1 4.44Å; F178-I223 HydrophobicContact CZ-CD1 4.21Å; F178-Y226 HydrophobicContact CE1-CE1 4.08Å; F178-Y226 HydrophobicContact CZ-CD1 4.43Å; F178-Y226 HydrophobicContact CZ-CE1 4.13Å
179	F	98.9	Very high	97.3	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	153.1	175.9	-64.3	-91.4	0	0	0	109.8	I117 Y139 L146 F156 G167 F177 V186 G187	I117-F179 HydrophobicContact CG2-CD1 4.3Å; I117-F179 HydrophobicContact CG2-CE1 4.4Å; Y139-F179 HydrophobicContact CD1-CB 3.96Å; Y139-F179 HydrophobicContact CD1-CD1 4.07Å; Y139-F179 HydrophobicContact CD1-CG 4.18Å; Y139-F179 HydrophobicContact CG-CB 4.46Å; Y139-F179 HydrophobicContact CG-CD1 4.25Å; Y139-F179 HydrophobicContact CG-CG 4.3Å; L146-F179 HydrophobicContact CD1-CD2 4.04Å; L146-F179 HydrophobicContact CD1-CE2 3.49Å; L146-F179 VanDerWaalsContact CD1-CE2 3.49Å; L146-F179 HydrophobicContact CD1-CZ 4.05Å; F156-F179 HydrophobicContact CE1-CB 3.95Å; F156-F179 AromaticContact CE1-CD2 3.75Å; F156-F179 HydrophobicContact CE1-CD2 3.75Å; F156-F179 HydrophobicContact CE1-CG 4.14Å; F156-F179 HydrophobicContact CZ-CB 4.39Å; F156-F179 AromaticContact CZ-CD2 3.81Å; F156-F179 HydrophobicContact CZ-CD2 3.81Å; G167-F179 CarbonylContact O-C 3.57Å; G167-F179 VanDerWaalsContact O-CA 3.23Å; G167-F179 WeakPolarHBondContact O-CA 3.49Å; F177-F179 HydrophobicContact CB-CE2 4.25Å; F179-V186 PolarHBondContact O-N 3.33Å; F179-G187 PolarHBondContact N-O 2.94Å; F179-G187 VanDerWaalsContact N-O 3.11Å
180	T	98.9	Very high	97.2	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	152.7	-177.7	60.3	0	0	0	0	110.4	Y101 V166 G167 F178 T184 I185 F221	Y101-T180 HydrophobicContact CE2-CG2 3.86Å; Y101-T180 PolarHBondContact OH-OG1 2.88Å; V166-T180 CarbonylContact C-O 3.58Å; V166-T180 VanDerWaalsContact CA-O 3.29Å; V166-T180 WeakPolarHBondContact CA-O 3.21Å; V166-T180 WeakPolarHBondContact CG1-O 3.46Å; G167-T180 VanDerWaalsContact CA-OG1 3.29Å; G167-T180 WeakPolarHBondContact CA-OG1 3.42Å; G167-T180 PolarHBondContact N-O 2.75Å; G167-T180 PolarHBondContact N-OG1 3.29Å; G167-T180 PolarHBondContact O-N 3.03Å; F178-T180 HydrophobicContact CD2-CG2 4.12Å; F178-T180 HydrophobicContact CE2-CG2 4.24Å; T180-T184 CarbonylContact C-O 3.55Å; T180-T184 WeakPolarHBondContact CA-O 3.45Å; T180-T184 VanDerWaalsContact CB-O 3.31Å; T180-T184 WeakPolarHBondContact CB-O 3.4Å; T180-I185 HydrophobicContact CG2-CG1 4.02Å; T180-F221 HydrophobicContact CG2-CB 4.33Å; T180-F221 HydrophobicContact CG2-CD1 4.11Å; T180-F221 HydrophobicContact CG2-CD2 3.82Å; T180-F221 HydrophobicContact CG2-CE1 4.35Å; T180-F221 HydrophobicContact CG2-CE2 4.1Å; T180-F221 HydrophobicContact CG2-CG 3.83Å; T180-F221 HydrophobicContact CG2-CZ 4.34Å
181	K	98.8	Very high	97	Very high	41 Å²	41	33.7 Å²	33.7	18%	0.178	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	128.9	169.2	-175.7	-178.3	-178	-178.6	0	108.6	P158 K159 F160 D164 A165 G183 T184 V186	P158-K181 HydrophobicContact CG-CD 3.83Å; K159-K181 PolarHBondContact O-NZ 2.91Å; F160-K181 HydrophobicContact CB-CD 4.23Å; D164-K181 WeakPolarHBondContact OD1-CE 3.33Å; D164-K181 IonicContact OD1-NZ 2.83Å; D164-K181 PolarHBondContact OD1-NZ 2.69Å; D164-K181 WeakPolarHBondContact OD2-CE 3.4Å; D164-K181 IonicContact OD2-NZ 2.91Å; D164-K181 PolarHBondContact OD2-NZ 2.79Å; A165-K181 CarbonylContact O-C 3.58Å; A165-K181 WeakPolarHBondContact O-CA 3.06Å; K181-G183 PolarHBondContact O-N 3.42Å; K181-T184 PolarHBondContact N-O 3.28Å; K181-T184 PolarHBondContact O-N 3.03Å; K181-V186 HydrophobicContact CB-CG2 3.55Å
182	N	98.6	Very high	96.5	Very high	82 Å²	82	39.2 Å²	39.2	44%	0.439	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	46.7	48	178.2	-58.3	-25.4	0	0	0	112.6	D164 A165 T184	D164-N182 WeakPolarHBondContact CA-OD1 3.47Å; D164-N182 PolarHBondContact OD1-ND2 2.98Å; A165-N182 PolarHBondContact N-OD1 3.21Å; A165-N182 PolarHBondContact O-N 3.39Å; A165-N182 PolarHBondContact O-OD1 3.36Å; N182-T184 VanDerWaalsContact C-N 3.32Å; N182-T184 PolarHBondContact O-N 3.3Å
183	G	98.3	Very high	96.3	Very high	23 Å²	23	39.8 Å²	39.8	24%	0.237	23%	0.232	C	C	.	.	T	Hydrogen-bonded Turn	trans	76.3	8.5	178.2	0	0	0	0	0	116.2	K181 A220 F221	K181-G183 PolarHBondContact O-N 3.42Å; G183-A220 WeakPolarHBondContact CA-O 3.34Å; G183-F221 WeakPolarHBondContact O-CD2 3.3Å
184	T	98.6	Very high	96.1	Very high	96 Å²	96	46.5 Å²	46.5	59%	0.589	25%	0.247	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-118.4	138.4	176.9	-55.9	0	0	0	0	110.9	T180 K181 N182 V186	T180-T184 CarbonylContact C-O 3.55Å; T180-T184 WeakPolarHBondContact CA-O 3.45Å; T180-T184 VanDerWaalsContact CB-O 3.31Å; T180-T184 WeakPolarHBondContact CB-O 3.4Å; K181-T184 PolarHBondContact N-O 3.28Å; K181-T184 PolarHBondContact O-N 3.03Å; N182-T184 VanDerWaalsContact C-N 3.32Å; N182-T184 PolarHBondContact O-N 3.3Å; T184-V186 PolarHBondContact O-N 3.41Å
185	I	98.7	Very high	95.9	Very high	57 Å²	57	45.9 Å²	45.9	29%	0.292	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.9	126	172.8	-67.4	175.7	0	0	0	109.4	F178 T180 K188 F221 Y226	F178-I185 HydrophobicContact CD2-CG1 4.45Å; T180-I185 HydrophobicContact CG2-CG1 4.02Å; I185-K188 HydrophobicContact CG2-CG 4.23Å; I185-F221 HydrophobicContact CD1-CE2 4.27Å; I185-F221 HydrophobicContact CD1-CZ 3.97Å; I185-F221 HydrophobicContact CG1-CE2 3.79Å; I185-F221 HydrophobicContact CG1-CZ 3.87Å; I185-Y226 HydrophobicContact CD1-CD2 3.77Å; I185-Y226 HydrophobicContact CD1-CE2 3.53Å
186	V	98	Very high	95.9	Very high	36 Å²	36	49.1 Å²	49.1	22%	0.218	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	-40.3	176.6	169.8	0	0	0	0	110.8	F156 F179 K181 T184	F156-V186 HydrophobicContact CD1-CG1 4.24Å; F156-V186 HydrophobicContact CE1-CG1 4.08Å; F179-V186 PolarHBondContact O-N 3.33Å; K181-V186 HydrophobicContact CB-CG2 3.55Å; T184-V186 PolarHBondContact O-N 3.41Å
187	G	98	Very high	95.9	Very high	16 Å²	16	46.8 Å²	46.8	17%	0.165	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-175	167.6	179	0	0	0	0	0	112.1	F156 F178 F179	F156-G187 VanDerWaalsContact CZ-CA 3.5Å; F178-G187 WeakPolarHBondContact CA-O 3.18Å; F179-G187 PolarHBondContact N-O 2.94Å; F179-G187 VanDerWaalsContact N-O 3.11Å
188	K	98.2	Very high	95.9	Very high	71 Å²	71	47.7 Å²	47.7	31%	0.309	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	146.1	175.7	-54	-169.9	-180	-169	0	109.3	F177 F178 I185 Y226 E230	F177-K188 CarbonylContact O-C 3.6Å; F177-K188 VanDerWaalsContact O-CA 3.27Å; F177-K188 WeakPolarHBondContact O-CA 3.34Å; F178-K188 HydrophobicContact CB-CB 4.49Å; F178-K188 HydrophobicContact CB-CG 3.87Å; I185-K188 HydrophobicContact CG2-CG 4.23Å; K188-Y226 PolarHBondContact NZ-OH 3.28Å; K188-E230 IonicContact NZ-OE1 2.79Å
189	I	97.1	Very high	95.9	Very high	17 Å²	17	47.7 Å²	47.7	9%	0.087	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	154.6	175.5	54.3	134.1	0	0	0	111	L146 R148 F156 E176 F177 K191	L146-I189 HydrophobicContact CD2-CB 4.3Å; L146-I189 HydrophobicContact CD2-CD1 3.66Å; L146-I189 HydrophobicContact CD2-CG1 3.81Å; L146-I189 HydrophobicContact CD2-CG2 3.64Å; R148-I189 HydrophobicContact CG-CD1 4.41Å; F156-I189 HydrophobicContact CD2-CG2 4.46Å; F156-I189 HydrophobicContact CE2-CG2 3.97Å; E176-I189 CarbonylContact C-O 3.41Å; E176-I189 WeakPolarHBondContact CA-O 3.5Å; E176-I189 WeakPolarHBondContact CB-O 3.37Å; F177-I189 HydrophobicContact CB-CD1 4.23Å; F177-I189 HydrophobicContact CB-CG1 3.97Å; F177-I189 HydrophobicContact CD2-CD1 3.87Å; F177-I189 HydrophobicContact CD2-CG1 4.47Å; F177-I189 PolarHBondContact N-O 2.95Å; F177-I189 PolarHBondContact O-N 3.39Å; I189-K191 PolarHBondContact O-N 2.9Å
190	P	96.4	Very high	95.9	Very high	71 Å²	71	47.7 Å²	47.7	46%	0.461	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-57.2	134.8	172.4	-25.5	35.2	0	0	0	112.9	R148 D192	R148-P190 PolarHBondContact NH2-O 3.28Å; P190-D192 PolarHBondContact O-N 3.01Å
191	K	94	Very high	95.8	Very high	13 Å²	13	47.8 Å²	47.8	6%	0.057	26%	0.256	C	S	.	.			trans	-88.4	85.8	174.8	-179.9	-178.8	148.6	-60.4	0	109.6	I170 Q175 F177 I189 I193 L197 Q453	I170-K191 HydrophobicContact CG1-CD 4.47Å; I170-K191 HydrophobicContact CG2-CD 3.47Å; I170-K191 VanDerWaalsContact CG2-CD 3.47Å; Q175-K191 VanDerWaalsContact O-CB 3.29Å; Q175-K191 WeakPolarHBondContact O-CB 3.22Å; Q175-K191 PolarHBondContact O-N 3.12Å; F177-K191 HydrophobicContact CD1-CD 4.46Å; F177-K191 HydrophobicContact CD1-CG 4.43Å; F177-K191 HydrophobicContact CD2-CB 3.97Å; F177-K191 HydrophobicContact CD2-CG 4.07Å; F177-K191 HydrophobicContact CE1-CD 4Å; F177-K191 HydrophobicContact CE1-CG 3.97Å; F177-K191 HydrophobicContact CE2-CB 3.96Å; F177-K191 HydrophobicContact CE2-CG 3.59Å; F177-K191 HydrophobicContact CG-CB 4.37Å; F177-K191 HydrophobicContact CG-CG 4.48Å; F177-K191 HydrophobicContact CZ-CB 4.34Å; F177-K191 HydrophobicContact CZ-CD 4.04Å; F177-K191 HydrophobicContact CZ-CG 3.54Å; I189-K191 PolarHBondContact O-N 2.9Å; K191-I193 WeakPolarHBondContact CE-O 3.5Å; K191-I193 PolarHBondContact NZ-O 2.83Å; K191-I193 PolarHBondContact O-N 3.36Å; K191-L197 HydrophobicContact CD-CD1 4.46Å; K191-Q453 VanDerWaalsContact CE-OE1 3.29Å
192	D	87	Confident	95.7	Very high	115 Å²	115	45.8 Å²	45.8	62%	0.615	25%	0.248	S	C	*	.			trans	-81.2	3.1	179.6	-57.1	-32.9	0	0	0	113.4	R148 P190	R148-D192 IonicContact CZ-OD2 2.71Å; R148-D192 IonicContact NH1-OD2 4Å; R148-D192 IonicContact NH2-OD2 2.62Å; R148-D192 PolarHBondContact NH2-OD2 2.9Å; P190-D192 PolarHBondContact O-N 3.01Å
193	I	91.1	Very high	95.6	Very high	15 Å²	15	41.9 Å²	41.9	8%	0.077	23%	0.227	C	C	.	.			trans	-100.2	124	-177.1	-44.5	170.1	0	0	0	109.7	N135 C137 F177 K191 L197	N135-I193 HydrophobicContact CB-CG2 3.93Å; C137-I193 HydrophobicContact CB-CD1 4.17Å; F177-I193 HydrophobicContact CE2-CD1 3.88Å; F177-I193 HydrophobicContact CE2-CG1 4.28Å; F177-I193 HydrophobicContact CZ-CD1 3.95Å; F177-I193 HydrophobicContact CZ-CG1 4.47Å; K191-I193 WeakPolarHBondContact CE-O 3.5Å; K191-I193 PolarHBondContact NZ-O 2.83Å; K191-I193 PolarHBondContact O-N 3.36Å; I193-L197 HydrophobicContact CB-CD1 4.37Å; I193-L197 HydrophobicContact CB-CD2 4.35Å; I193-L197 HydrophobicContact CG2-CD2 3.69Å
194	R	86.9	Confident	95.4	Very high	191 Å²	191	41.4 Å²	41.4	72%	0.721	22%	0.218	S	C	*	.			trans	-97.4	158.9	177.5	-53	-169	-148.6	-172.4	5.9	112.6	K121	K121-R194 WeakPolarHBondContact CE-O 3.39Å
195	G	88.8	Confident	95.1	Very high	35 Å²	35	36.8 Å²	36.8	36%	0.361	19%	0.19	S	C	.	.	S	Bend	trans	87.5	-175.3	177.3	0	0	0	0	0	113.2	L197 Q453	G195-L197 PolarHBondContact O-N 3.24Å; G195-Q453 PolarHBondContact O-NE2 3.2Å
196	H	93.7	Very high	94.8	Very high	101 Å²	101	37 Å²	37	47%	0.468	19%	0.19	S	C	.	.			trans	-65.9	128.8	179.3	-68.1	-66.2	0	0	0	111.3	P92	P92-H196 HydrophobicContact CB-CB 3.79Å; P92-H196 HydrophobicContact CG-CB 4.28Å
197	L	97.1	Very high	94.5	Very high	2 Å²	2	38.7 Å²	38.7	1%	0.01	20%	0.197	C	C	.	.			trans	-116.9	133.3	179.7	-65.2	179.2	0	0	0	109.8	P92 A93 F119 T120 K121 I170 F177 K191 I193 G195	P92-L197 WeakPolarHBondContact CA-O 3.42Å; A93-L197 WeakPolarHBondContact CB-O 3.37Å; A93-L197 PolarHBondContact N-O 3.42Å; F119-L197 HydrophobicContact CB-CB 4.23Å; F119-L197 HydrophobicContact CB-CD1 4.28Å; F119-L197 HydrophobicContact CD1-CB 4.42Å; T120-L197 CarbonylContact O-C 3.46Å; T120-L197 WeakPolarHBondContact O-CA 3.47Å; K121-L197 HydrophobicContact CG-CD2 4.13Å; I170-L197 HydrophobicContact CD1-CB 4.5Å; I170-L197 HydrophobicContact CD1-CD1 4.19Å; F177-L197 HydrophobicContact CE1-CD1 3.79Å; F177-L197 HydrophobicContact CZ-CD1 3.61Å; K191-L197 HydrophobicContact CD-CD1 4.46Å; I193-L197 HydrophobicContact CB-CD1 4.37Å; I193-L197 HydrophobicContact CB-CD2 4.35Å; I193-L197 HydrophobicContact CG2-CD2 3.69Å; G195-L197 PolarHBondContact O-N 3.24Å
198	F	98	Very high	94.4	Very high	19 Å²	19	37.9 Å²	37.9	8%	0.083	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	128	179.1	-73.5	-102.5	0	0	0	109.4	Q88 A89 K91 P92 F119 T120 E122 T200	Q88-F198 HydrophobicContact CB-CB 4.05Å; Q88-F198 HydrophobicContact CB-CD1 4.5Å; Q88-F198 HydrophobicContact CG-CB 3.98Å; A89-F198 WeakPolarHBondContact O-CD1 3.46Å; K91-F198 WeakPolarHBondContact O-CD1 3.15Å; P92-F198 HydrophobicContact CB-CD2 4.2Å; P92-F198 HydrophobicContact CB-CE1 4.27Å; P92-F198 HydrophobicContact CB-CE2 3.88Å; P92-F198 HydrophobicContact CB-CZ 3.93Å; P92-F198 HydrophobicContact CG-CZ 4.22Å; P92-F198 VanDerWaalsContact N-CE1 3.33Å; F119-F198 WeakPolarHBondContact CA-O 3.4Å; T120-F198 PolarHBondContact N-O 2.94Å; T120-F198 VanDerWaalsContact N-O 3.08Å; T120-F198 PolarHBondContact O-N 2.68Å; E122-F198 HydrophobicContact CB-CD2 4.25Å; E122-F198 HydrophobicContact CB-CE2 3.74Å; E122-F198 HydrophobicContact CB-CZ 4.42Å; E122-F198 HydrophobicContact CG-CE2 4.28Å; E122-F198 HydrophobicContact CG-CZ 4.48Å; F198-T200 PolarHBondContact O-N 2.86Å; F198-T200 PolarHBondContact O-OG1 2.72Å
199	P	98.7	Very high	94.4	Very high	1 Å²	1	35.6 Å²	35.6	1%	0.006	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-50	129.4	162.5	-22.3	31.1	0	0	0	109.2	P50 Q88 A89 Y100 F102 F119 F214	P50-P199 HydrophobicContact CB-CG 4.25Å; P50-P199 HydrophobicContact CG-CG 4.04Å; Q88-P199 CarbonylContact C-O 3.44Å; Q88-P199 WeakPolarHBondContact CA-O 3.35Å; A89-P199 HydrophobicContact CB-CB 4.01Å; A89-P199 HydrophobicContact CB-CG 3.98Å; A89-P199 PolarHBondContact N-O 3.43Å; Y100-P199 HydrophobicContact CE1-CG 3.66Å; Y100-P199 WeakPolarHBondContact OH-CG 3.46Å; F102-P199 HydrophobicContact CD1-CB 3.86Å; F102-P199 HydrophobicContact CD1-CG 4.4Å; F102-P199 HydrophobicContact CD2-CB 4.12Å; F102-P199 HydrophobicContact CE1-CB 3.69Å; F102-P199 HydrophobicContact CE2-CB 3.94Å; F102-P199 HydrophobicContact CG-CB 4.07Å; F102-P199 HydrophobicContact CZ-CB 3.71Å; F119-P199 HydrophobicContact CE1-CG 4.43Å; P199-F214 HydrophobicContact CB-CD1 4.45Å; P199-F214 HydrophobicContact CB-CE1 3.7Å; P199-F214 HydrophobicContact CG-CE1 4.19Å
200	T	98.4	Very high	94.5	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	138.2	-172.1	-52.4	0	0	0	0	110.3	V86 V87 Q88 G118 T120 P130 F198	V86-T200 HydrophobicContact CG2-CG2 3.54Å; V87-T200 WeakPolarHBondContact O-CA 3.47Å; Q88-T200 HydrophobicContact CG-CG2 4.25Å; G118-T200 PolarHBondContact N-O 2.87Å; G118-T200 PolarHBondContact O-N 3.33Å; T120-T200 HydrophobicContact CG2-CG2 3.79Å; T120-T200 WeakPolarHBondContact CG2-OG1 3.35Å; T120-T200 PolarHBondContact OG1-OG1 3.21Å; P130-T200 HydrophobicContact CB-CG2 4.37Å; F198-T200 PolarHBondContact O-N 2.86Å; F198-T200 PolarHBondContact O-OG1 2.72Å
201	V	98.3	Very high	94.6	Very high	1 Å²	1	34.3 Å²	34.3	1%	0.006	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	139.7	177.8	-176.4	0	0	0	0	108.7	V87 F102 I104 A116 V210 V212	V87-V201 PolarHBondContact N-O 3.43Å; V87-V201 PolarHBondContact O-N 2.88Å; F102-V201 HydrophobicContact CE2-CG2 3.98Å; I104-V201 HydrophobicContact CG2-CG1 4.13Å; I104-V201 HydrophobicContact CG2-CG2 3.56Å; A116-V201 CarbonylContact O-C 3.45Å; A116-V201 WeakPolarHBondContact O-CA 3.13Å; V201-V210 HydrophobicContact CG1-CG2 3.63Å; V201-V212 HydrophobicContact CG2-CG2 4.09Å
202	A	96.6	Very high	94.8	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	149.1	175.4	0	0	0	0	0	112	V84 G85 V86 I115 A116 Q129	V84-A202 HydrophobicContact CG1-CB 4.05Å; G85-A202 CarbonylContact O-C 3.52Å; G85-A202 WeakPolarHBondContact O-CA 3.36Å; V86-A202 HydrophobicContact CB-CB 4.03Å; V86-A202 HydrophobicContact CG2-CB 4.1Å; I115-A202 WeakPolarHBondContact CA-O 3.47Å; A116-A202 HydrophobicContact CB-CB 4.41Å; A116-A202 PolarHBondContact N-O 3.36Å; A116-A202 PolarHBondContact O-N 3.28Å; Q129-A202 HydrophobicContact CB-CB 4.39Å; Q129-A202 HydrophobicContact CG-CB 4.12Å
203	V	95.9	Very high	95.3	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	142.9	173.3	-69	0	0	0	0	108	L63 V72 Y74 G85 I115 E208 V210	L63-V203 HydrophobicContact CB-CG2 4.14Å; V72-V203 HydrophobicContact CG1-CG1 4.4Å; V72-V203 HydrophobicContact CG1-CG2 3.75Å; Y74-V203 HydrophobicContact CD2-CB 4.33Å; Y74-V203 HydrophobicContact CD2-CG2 3.98Å; Y74-V203 HydrophobicContact CG-CG2 4.46Å; G85-V203 WeakPolarHBondContact CA-O 3.2Å; G85-V203 PolarHBondContact N-O 2.84Å; G85-V203 PolarHBondContact O-N 3.31Å; G85-V203 VanDerWaalsContact O-O 3.08Å; I115-V203 HydrophobicContact CG1-CG1 4.38Å; V203-E208 WeakPolarHBondContact CA-OE2 3.17Å; V203-E208 HydrophobicContact CB-CB 3.99Å; V203-E208 HydrophobicContact CG1-CB 3.94Å; V203-V210 HydrophobicContact CG1-CG2 4.34Å
204	H	94	Very high	95.7	Very high	12 Å²	12	29.8 Å²	29.8	6%	0.056	15%	0.145	C	C	.	.			trans	-147.2	12	-171.3	-165	-164.4	0	0	0	113.6	G81 D83 Q114 Q129 W132 E208	G81-H204 PolarHBondContact O-CE1 3.39Å; G81-H204 VanDerWaalsContact O-CE1 3.31Å; G81-H204 PolarHBondContact O-NE2 3.23Å; D83-H204 PolarHBondContact O-CD2 3.16Å; Q114-H204 HydrophobicContact CB-CB 3.93Å; Q129-H204 PolarHBondContact NE2-ND1 3.12Å; Q129-H204 VanDerWaalsContact NE2-ND1 3.15Å; W132-H204 AromaticContact CH2-CE1 3.92Å; W132-H204 AromaticContact CH2-ND1 3.97Å; H204-E208 PolarHBondContact N-OE2 3.18Å
205	S	91.9	Very high	96.2	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	13%	0.132	C	C	.	.	S	Bend	trans	-138.1	152	172.5	-154.1	0	0	0	0	113.2	Y74 K112 N207 E208	Y74-S205 WeakPolarHBondContact CB-O 3.27Å; Y74-S205 VanDerWaalsContact CD1-O 3.3Å; Y74-S205 WeakPolarHBondContact CD1-O 3.46Å; Y74-S205 VanDerWaalsContact CG-O 3.27Å; K112-S205 WeakPolarHBondContact CB-OG 3.45Å; K112-S205 WeakPolarHBondContact CG-OG 3.31Å; K112-S205 PolarHBondContact N-OG 3.47Å; S205-N207 PolarHBondContact O-N 2.97Å; S205-E208 VanDerWaalsContact CB-CD 3.4Å; S205-E208 WeakPolarHBondContact CB-OE1 3.27Å; S205-E208 PolarHBondContact N-OE1 3.39Å; S205-E208 PolarHBondContact N-OE2 3.03Å; S205-E208 WeakPolarHBondContact O-CB 3.45Å; S205-E208 WeakPolarHBondContact O-CG 3.38Å; S205-E208 PolarHBondContact O-N 3.26Å; S205-E208 VanDerWaalsContact O-N 3.11Å
206	Q	91.8	Very high	96.4	Very high	62 Å²	62	27 Å²	27	29%	0.29	14%	0.14	S	C	.	.	T	Hydrogen-bonded Turn	trans	-51.9	134	178.6	-168.7	-179.9	3.9	0	0	111.4	G110 I111 E208	G110-Q206 CarbonylContact C-O 3.56Å; G110-Q206 WeakPolarHBondContact CA-O 3.47Å; I111-Q206 HydrophobicContact CD1-CB 3.84Å; I111-Q206 HydrophobicContact CD1-CG 4.45Å; I111-Q206 HydrophobicContact CG1-CB 4.27Å; I111-Q206 PolarHBondContact N-O 3.48Å; I111-Q206 VanDerWaalsContact N-O 3.1Å; Q206-E208 PolarHBondContact O-N 3.5Å
207	N	92.3	Very high	96.5	Very high	70 Å²	70	29.2 Å²	29.2	37%	0.374	15%	0.148	S	C	.	.	T	Hydrogen-bonded Turn	trans	69.8	-0.3	-179.4	-54.7	-37.1	0	0	0	116.3	D108 S205 E209	D108-N207 WeakPolarHBondContact CB-O 3.46Å; S205-N207 PolarHBondContact O-N 2.97Å; N207-E209 PolarHBondContact O-N 2.99Å
208	E	96.3	Very high	96.5	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-57.8	128.3	172.6	-76.9	171.7	-172.8	0	0	110.7	K73 Y74 D108 S109 G113 Q114 I115 V203 H204 S205 Q206	K73-E208 CarbonylContact C-O 3.53Å; K73-E208 VanDerWaalsContact CA-O 3.32Å; K73-E208 WeakPolarHBondContact CA-O 3.41Å; Y74-E208 PolarHBondContact N-O 3.25Å; D108-E208 WeakPolarHBondContact O-CA 3.33Å; S109-E208 WeakPolarHBondContact O-CG 3.35Å; G113-E208 WeakPolarHBondContact CA-OE1 3.47Å; G113-E208 PolarHBondContact N-OE1 2.83Å; Q114-E208 WeakPolarHBondContact CA-OE1 3.32Å; Q114-E208 PolarHBondContact N-OE1 2.91Å; I115-E208 HydrophobicContact CD1-CB 4.29Å; I115-E208 HydrophobicContact CD1-CG 4.1Å; I115-E208 HydrophobicContact CG1-CB 4.1Å; I115-E208 HydrophobicContact CG1-CG 3.83Å; V203-E208 WeakPolarHBondContact CA-OE2 3.17Å; V203-E208 HydrophobicContact CB-CB 3.99Å; V203-E208 HydrophobicContact CG1-CB 3.94Å; H204-E208 PolarHBondContact N-OE2 3.18Å; S205-E208 VanDerWaalsContact CB-CD 3.4Å; S205-E208 WeakPolarHBondContact CB-OE1 3.27Å; S205-E208 PolarHBondContact N-OE1 3.39Å; S205-E208 PolarHBondContact N-OE2 3.03Å; S205-E208 WeakPolarHBondContact O-CB 3.45Å; S205-E208 WeakPolarHBondContact O-CG 3.38Å; S205-E208 PolarHBondContact O-N 3.26Å; S205-E208 VanDerWaalsContact O-N 3.11Å; Q206-E208 PolarHBondContact O-N 3.5Å
209	E	97.9	Very high	96.5	Very high	23 Å²	23	39.5 Å²	39.5	11%	0.107	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	128.8	-178.7	-169.4	174.7	164	0	0	110.5	V72 K73 K107 D108 N207	V72-E209 VanDerWaalsContact O-CA 3.3Å; V72-E209 WeakPolarHBondContact O-CA 3.23Å; K73-E209 HydrophobicContact CB-CB 4.37Å; K73-E209 HydrophobicContact CB-CG 4.03Å; K73-E209 HydrophobicContact CD-CG 4.36Å; K73-E209 WeakPolarHBondContact CD-OE2 3.36Å; K73-E209 HydrophobicContact CG-CB 4.18Å; K73-E209 HydrophobicContact CG-CG 4.23Å; K73-E209 IonicContact NZ-OE2 3.07Å; K73-E209 PolarHBondContact NZ-OE2 3.4Å; K107-E209 HydrophobicContact CB-CB 4.45Å; K107-E209 HydrophobicContact CB-CG 4.41Å; K107-E209 WeakPolarHBondContact CB-O 3.4Å; K107-E209 HydrophobicContact CD-CG 4.16Å; K107-E209 WeakPolarHBondContact CD-OE1 3.45Å; K107-E209 WeakPolarHBondContact CE-OE1 3.18Å; K107-E209 PolarHBondContact N-O 3.29Å; K107-E209 IonicContact NZ-OE1 2.72Å; K107-E209 PolarHBondContact NZ-OE1 2.68Å; K107-E209 IonicContact NZ-OE2 3.67Å; D108-E209 HydrophobicContact CB-CB 4.15Å; D108-E209 PolarHBondContact N-O 3.4Å; D108-E209 PolarHBondContact O-N 3.38Å; N207-E209 PolarHBondContact O-N 2.99Å
210	V	98.7	Very high	96.5	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	141.3	-178.7	-61.9	0	0	0	0	111.1	S71 V72 I104 F105 V106 I115 V201 V203	S71-V210 CarbonylContact C-O 3.57Å; S71-V210 VanDerWaalsContact CA-O 3.25Å; S71-V210 WeakPolarHBondContact CA-O 3.38Å; S71-V210 PolarHBondContact OG-O 2.77Å; V72-V210 HydrophobicContact CB-CG2 3.97Å; V72-V210 HydrophobicContact CG2-CG2 4.47Å; V72-V210 PolarHBondContact N-O 3.3Å; V72-V210 PolarHBondContact O-N 2.78Å; I104-V210 HydrophobicContact CB-CB 4.49Å; I104-V210 HydrophobicContact CD1-CG1 4.32Å; F105-V210 CarbonylContact O-C 3.54Å; F105-V210 VanDerWaalsContact O-CA 3.31Å; F105-V210 WeakPolarHBondContact O-CA 3.37Å; V106-V210 HydrophobicContact CG2-CG1 4.34Å; I115-V210 HydrophobicContact CD1-CG1 3.8Å; I115-V210 HydrophobicContact CG1-CG1 4.37Å; I115-V210 HydrophobicContact CG2-CG1 3.66Å; V201-V210 HydrophobicContact CG1-CG2 3.63Å; V203-V210 HydrophobicContact CG1-CG2 4.34Å
211	L	98.6	Very high	96.5	Very high	61 Å²	61	43 Å²	43	32%	0.319	22%	0.219	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	136.2	170.3	-52.5	179.2	0	0	0	108.8	L70 S71 I104 F105	L70-L211 CarbonylContact O-C 3.58Å; L70-L211 WeakPolarHBondContact O-CA 3.32Å; S71-L211 WeakPolarHBondContact OG-CD2 3.5Å; I104-L211 CarbonylContact C-O 3.49Å; I104-L211 WeakPolarHBondContact CA-O 3.21Å; F105-L211 HydrophobicContact CB-CB 4.36Å; F105-L211 HydrophobicContact CD1-CD1 4.16Å; F105-L211 HydrophobicContact CD1-CG 4.5Å; F105-L211 PolarHBondContact N-O 3.25Å; F105-L211 PolarHBondContact O-N 3.02Å
212	V	98.8	Very high	96.5	Very high	8 Å²	8	48 Å²	48	5%	0.048	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	134.5	-179.1	-168	0	0	0	0	109.8	L53 L70 F102 I104 V201 F214	L53-V212 HydrophobicContact CD1-CG2 3.98Å; L53-V212 HydrophobicContact CD2-CG2 4.18Å; L53-V212 HydrophobicContact CG-CG2 4.36Å; L70-V212 PolarHBondContact O-N 3.48Å; F102-V212 HydrophobicContact CD2-CG1 4.08Å; F102-V212 HydrophobicContact CE2-CG1 4.46Å; I104-V212 HydrophobicContact CG2-CG1 4.36Å; I104-V212 HydrophobicContact CG2-CG2 4.11Å; V201-V212 HydrophobicContact CG2-CG2 4.09Å; V212-F214 HydrophobicContact CB-CE2 4.33Å; V212-F214 HydrophobicContact CB-CZ 4.42Å; V212-F214 HydrophobicContact CG1-CD1 4.28Å; V212-F214 HydrophobicContact CG1-CD2 4.21Å; V212-F214 HydrophobicContact CG1-CE1 3.72Å; V212-F214 HydrophobicContact CG1-CE2 3.66Å; V212-F214 HydrophobicContact CG1-CG 4.5Å; V212-F214 HydrophobicContact CG1-CZ 3.4Å
213	N	98.7	Very high	96.6	Very high	20 Å²	20	49 Å²	49	11%	0.107	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	108.2	175.7	-178.3	18.2	0	0	0	109.6	E103 G215 K216 K217 F219	E103-N213 HydrophobicContact CB-CB 4.37Å; E103-N213 PolarHBondContact N-O 3.2Å; E103-N213 PolarHBondContact O-N 3.28Å; N213-G215 VanDerWaalsContact C-N 3.28Å; N213-G215 PolarHBondContact OD1-N 3.13Å; N213-K216 PolarHBondContact OD1-N 3.08Å; N213-K217 PolarHBondContact ND2-O 2.85Å; N213-K217 PolarHBondContact OD1-N 3.36Å; N213-K217 PolarHBondContact OD1-O 3.35Å; N213-F219 HydrophobicContact CB-CE1 4.44Å; N213-F219 VanDerWaalsContact ND2-CD1 3.3Å; N213-F219 WeakPolarHBondContact ND2-CD1 3.23Å; N213-F219 WeakPolarHBondContact O-CE1 3.35Å
214	F	98.5	Very high	96.6	Very high	19 Å²	19	55.7 Å²	55.7	8%	0.083	28%	0.279	C	S	.	.	S	Bend	trans	-89.3	14.8	173.5	-62.5	-64	0	0	0	113.6	P50 L53 L70 A89 F102 P199 V212	P50-F214 HydrophobicContact CB-CB 4.5Å; P50-F214 HydrophobicContact CB-CD1 3.92Å; P50-F214 HydrophobicContact CB-CE1 4.4Å; P50-F214 HydrophobicContact CB-CG 4.22Å; P50-F214 WeakPolarHBondContact O-CB 3.45Å; L53-F214 HydrophobicContact CD2-CE2 4.28Å; L53-F214 HydrophobicContact CD2-CZ 3.99Å; L53-F214 HydrophobicContact CG-CE2 4.36Å; L70-F214 HydrophobicContact CD2-CD2 3.9Å; L70-F214 HydrophobicContact CD2-CE2 4.16Å; A89-F214 HydrophobicContact CB-CE1 3.77Å; A89-F214 HydrophobicContact CB-CE2 4.4Å; A89-F214 HydrophobicContact CB-CZ 3.63Å; F102-F214 HydrophobicContact CB-CD1 3.92Å; F102-F214 HydrophobicContact CB-CE1 4.42Å; F102-F214 HydrophobicContact CD2-CD1 4.18Å; F102-F214 AromaticContact CD2-CE1 3.86Å; F102-F214 HydrophobicContact CD2-CE1 3.86Å; F102-F214 HydrophobicContact CE2-CE1 4.45Å; F102-F214 HydrophobicContact CG-CD1 4.28Å; F102-F214 HydrophobicContact CG-CE1 4.29Å; P199-F214 HydrophobicContact CB-CD1 4.45Å; P199-F214 HydrophobicContact CB-CE1 3.7Å; P199-F214 HydrophobicContact CG-CE1 4.19Å; V212-F214 HydrophobicContact CB-CE2 4.33Å; V212-F214 HydrophobicContact CB-CZ 4.42Å; V212-F214 HydrophobicContact CG1-CD1 4.28Å; V212-F214 HydrophobicContact CG1-CD2 4.21Å; V212-F214 HydrophobicContact CG1-CE1 3.72Å; V212-F214 HydrophobicContact CG1-CE2 3.66Å; V212-F214 HydrophobicContact CG1-CG 4.5Å; V212-F214 HydrophobicContact CG1-CZ 3.4Å
215	G	96.8	Very high	96.8	Very high	43 Å²	43	56.5 Å²	56.5	44%	0.443	29%	0.291	S	S	.	.	S	Bend	trans	105.1	4.5	-177.6	0	0	0	0	0	114.5	N213 K217	N213-G215 VanDerWaalsContact C-N 3.28Å; N213-G215 PolarHBondContact OD1-N 3.13Å; G215-K217 PolarHBondContact O-N 3.34Å
216	K	93.3	Very high	97.1	Very high	124 Å²	124	57.2 Å²	57.2	54%	0.539	29%	0.294	S	S	.	.	S	Bend	trans	-69.3	-22.6	170.8	-74.1	178.3	172.7	168.4	0	112.3	T51 L70 N213	T51-K216 VanDerWaalsContact O-CE 3.27Å; T51-K216 WeakPolarHBondContact O-CE 3.44Å; T51-K216 PolarHBondContact O-NZ 3.04Å; L70-K216 HydrophobicContact CD1-CD 4.22Å; N213-K216 PolarHBondContact OD1-N 3.08Å
217	K	95.3	Very high	97.3	Very high	148 Å²	148	55.6 Å²	55.6	64%	0.643	29%	0.286	S	S	*	.	S	Bend	trans	-120.7	155.7	173	-62.9	177.7	-177.9	174.1	0	109.1	N213 G215 F219	N213-K217 PolarHBondContact ND2-O 2.85Å; N213-K217 PolarHBondContact OD1-N 3.36Å; N213-K217 PolarHBondContact OD1-O 3.35Å; G215-K217 PolarHBondContact O-N 3.34Å; K217-F219 PolarHBondContact O-N 3.04Å
218	K	97.5	Very high	97.5	Very high	204 Å²	204	55.1 Å²	55.1	89%	0.887	29%	0.292	S	S	*	.			trans	-56.6	132.4	172.4	-175.1	179.9	175.7	-178	0	109.6
219	F	98.7	Very high	97.5	Very high	34 Å²	34	57.8 Å²	57.8	15%	0.149	31%	0.31	C	S	.	.			trans	-71.9	151.4	175	-64.6	-52.7	0	0	0	111.6	Y101 E103 N213 K217 F221 I223	Y101-F219 HydrophobicContact CD1-CD1 4.2Å; Y101-F219 AromaticContact CD1-CD2 3.92Å; Y101-F219 HydrophobicContact CD1-CD2 3.92Å; Y101-F219 HydrophobicContact CD1-CE1 4.26Å; Y101-F219 AromaticContact CD1-CE2 3.98Å; Y101-F219 HydrophobicContact CD1-CE2 3.98Å; Y101-F219 HydrophobicContact CD1-CG 4.03Å; Y101-F219 HydrophobicContact CD1-CZ 4.14Å; Y101-F219 HydrophobicContact CE1-CB 4.19Å; Y101-F219 HydrophobicContact CE1-CD1 4.05Å; Y101-F219 HydrophobicContact CE1-CD2 4.24Å; Y101-F219 HydrophobicContact CE1-CE1 4.48Å; Y101-F219 AromaticContact CE1-CG 3.91Å; Y101-F219 HydrophobicContact CE1-CG 3.91Å; E103-F219 HydrophobicContact CB-CD1 4.17Å; E103-F219 HydrophobicContact CG-CD1 3.75Å; E103-F219 HydrophobicContact CG-CE1 4.39Å; E103-F219 HydrophobicContact CG-CG 4.47Å; E103-F219 WeakPolarHBondContact OE1-CB 3.25Å; E103-F219 VanDerWaalsContact OE2-CA 3.26Å; E103-F219 WeakPolarHBondContact OE2-CA 3.43Å; N213-F219 HydrophobicContact CB-CE1 4.44Å; N213-F219 VanDerWaalsContact ND2-CD1 3.3Å; N213-F219 WeakPolarHBondContact ND2-CD1 3.23Å; N213-F219 WeakPolarHBondContact O-CE1 3.35Å; K217-F219 PolarHBondContact O-N 3.04Å; F219-F221 VanDerWaalsContact C-N 3.29Å; F219-F221 VanDerWaalsContact CB-O 3.26Å; F219-F221 WeakPolarHBondContact CB-O 3.42Å; F219-I223 HydrophobicContact CD2-CB 4.31Å; F219-I223 HydrophobicContact CD2-CG2 3.67Å; F219-I223 HydrophobicContact CE2-CG2 4.1Å
220	A	98.5	Very high	97.4	Very high	55 Å²	55	57.5 Å²	57.5	46%	0.455	31%	0.309	S	S	.	.	S	Bend	trans	-66.9	-36	166.3	0	0	0	0	0	110.7	E103 A165 G183	E103-A220 VanDerWaalsContact CD-N 3.32Å; E103-A220 PolarHBondContact OE1-N 2.85Å; E103-A220 PolarHBondContact OE2-N 2.83Å; A165-A220 HydrophobicContact CB-CB 3.8Å; G183-A220 WeakPolarHBondContact CA-O 3.34Å
221	F	98.7	Very high	97.1	Very high	19 Å²	19	62.5 Å²	62.5	8%	0.083	33%	0.328	C	S	.	.	S	Bend	trans	-80.7	135	172.6	-177.8	-118.5	0	0	0	112.5	Y101 E103 F178 T180 G183 I185 F219 I223 Y226	Y101-F221 HydrophobicContact CD1-CD1 4.4Å; Y101-F221 HydrophobicContact CD2-CD1 4.37Å; Y101-F221 HydrophobicContact CE1-CB 3.86Å; Y101-F221 AromaticContact CE1-CD1 3.97Å; Y101-F221 HydrophobicContact CE1-CD1 3.97Å; Y101-F221 HydrophobicContact CE1-CG 4.38Å; Y101-F221 AromaticContact CE2-CD1 3.97Å; Y101-F221 HydrophobicContact CE2-CD1 3.97Å; Y101-F221 AromaticContact CZ-CD1 3.74Å; Y101-F221 WeakPolarHBondContact OH-CB 3.22Å; E103-F221 PolarHBondContact OE1-N 3.38Å; F178-F221 HydrophobicContact CE2-CD1 4.42Å; F178-F221 AromaticContact CE2-CE1 3.83Å; F178-F221 HydrophobicContact CE2-CE1 3.83Å; F178-F221 HydrophobicContact CE2-CZ 4.41Å; F178-F221 HydrophobicContact CZ-CE1 4.44Å; T180-F221 HydrophobicContact CG2-CB 4.33Å; T180-F221 HydrophobicContact CG2-CD1 4.11Å; T180-F221 HydrophobicContact CG2-CD2 3.82Å; T180-F221 HydrophobicContact CG2-CE1 4.35Å; T180-F221 HydrophobicContact CG2-CE2 4.1Å; T180-F221 HydrophobicContact CG2-CG 3.83Å; T180-F221 HydrophobicContact CG2-CZ 4.34Å; G183-F221 WeakPolarHBondContact O-CD2 3.3Å; I185-F221 HydrophobicContact CD1-CE2 4.27Å; I185-F221 HydrophobicContact CD1-CZ 3.97Å; I185-F221 HydrophobicContact CG1-CE2 3.79Å; I185-F221 HydrophobicContact CG1-CZ 3.87Å; F219-F221 VanDerWaalsContact C-N 3.29Å; F219-F221 VanDerWaalsContact CB-O 3.26Å; F219-F221 WeakPolarHBondContact CB-O 3.42Å; F221-I223 VanDerWaalsContact C-N 3.26Å; F221-I223 HydrophobicContact CD1-CB 4.23Å; F221-I223 HydrophobicContact CD1-CD1 4.3Å; F221-I223 HydrophobicContact CE1-CD1 4.02Å; F221-I223 PolarHBondContact O-N 2.8Å; F221-Y226 HydrophobicContact CE1-CD2 4.35Å; F221-Y226 AromaticContact CE1-CG 3.94Å; F221-Y226 HydrophobicContact CE1-CG 3.94Å; F221-Y226 AromaticContact CZ-CD2 3.76Å; F221-Y226 HydrophobicContact CZ-CD2 3.76Å; F221-Y226 AromaticContact CZ-CG 3.77Å; F221-Y226 HydrophobicContact CZ-CG 3.77Å
222	D	98.5	Very high	96.9	Very high	105 Å²	105	64 Å²	64	56%	0.561	34%	0.337	S	S	*	.			trans	-76.9	78	172.7	-176.7	14.5	0	0	0	111.2	K224 G225 Y226	D222-K224 PolarHBondContact O-N 3.01Å; D222-K224 PolarHBondContact OD1-N 3.39Å; D222-G225 VanDerWaalsContact CG-N 3.3Å; D222-G225 PolarHBondContact O-N 3.42Å; D222-G225 PolarHBondContact OD1-N 3Å; D222-G225 WeakPolarHBondContact OD2-CA 3.45Å; D222-G225 PolarHBondContact OD2-N 3.28Å; D222-Y226 WeakPolarHBondContact O-CB 3.38Å; D222-Y226 PolarHBondContact O-N 3.41Å
223	I	97.9	Very high	96.7	Very high	21 Å²	21	68.9 Å²	68.9	11%	0.108	36%	0.357	C	S	.	.	H	α-helix	trans	-60.8	-31.2	178	-171.3	57.2	0	0	0	112.3	T99 Y101 F178 F219 F221 Y226 E227	T99-I223 HydrophobicContact CG2-CD1 3.74Å; Y101-I223 HydrophobicContact CD1-CB 4.38Å; Y101-I223 HydrophobicContact CD1-CD1 4.43Å; Y101-I223 HydrophobicContact CD1-CG1 4.46Å; Y101-I223 HydrophobicContact CG-CD1 3.99Å; Y101-I223 HydrophobicContact CG-CG1 4.41Å; F178-I223 HydrophobicContact CZ-CD1 4.21Å; F219-I223 HydrophobicContact CD2-CB 4.31Å; F219-I223 HydrophobicContact CD2-CG2 3.67Å; F219-I223 HydrophobicContact CE2-CG2 4.1Å; F221-I223 VanDerWaalsContact C-N 3.26Å; F221-I223 HydrophobicContact CD1-CB 4.23Å; F221-I223 HydrophobicContact CD1-CD1 4.3Å; F221-I223 HydrophobicContact CE1-CD1 4.02Å; F221-I223 PolarHBondContact O-N 2.8Å; I223-Y226 HydrophobicContact CD1-CD1 4.19Å; I223-Y226 WeakPolarHBondContact O-CB 3.32Å; I223-Y226 PolarHBondContact O-N 2.98Å; I223-E227 WeakPolarHBondContact O-CG 3.24Å; I223-E227 PolarHBondContact O-N 3.27Å
224	K	96.5	Very high	96.3	Very high	141 Å²	141	71.6 Å²	71.6	61%	0.613	37%	0.369	S	S	*	.	H	α-helix	trans	-75.4	-42.3	-179.6	-67.4	-57.7	177	-168.9	0	111.8	D222 Y226 E227 A228	D222-K224 PolarHBondContact O-N 3.01Å; D222-K224 PolarHBondContact OD1-N 3.39Å; K224-Y226 VanDerWaalsContact C-N 3.28Å; K224-Y226 PolarHBondContact O-N 3.31Å; K224-E227 WeakPolarHBondContact CD-OE2 3.45Å; K224-E227 IonicContact NZ-OE2 4Å; K224-E227 PolarHBondContact NZ-OE2 3.41Å; K224-E227 PolarHBondContact O-N 3.39Å; K224-A228 WeakPolarHBondContact O-CB 3.44Å; K224-A228 PolarHBondContact O-N 2.84Å
225	G	98.1	Very high	95.9	Very high	29 Å²	29	74.9 Å²	74.9	30%	0.299	39%	0.385	S	S	.	.	H	α-helix	trans	-61.3	-37.4	169	0	0	0	0	0	112.4	D222 A228 S229	D222-G225 VanDerWaalsContact CG-N 3.3Å; D222-G225 PolarHBondContact O-N 3.42Å; D222-G225 PolarHBondContact OD1-N 3Å; D222-G225 WeakPolarHBondContact OD2-CA 3.45Å; D222-G225 PolarHBondContact OD2-N 3.28Å; G225-A228 PolarHBondContact O-N 3.17Å; G225-S229 WeakPolarHBondContact O-CB 3.33Å; G225-S229 PolarHBondContact O-N 2.94Å
226	Y	98	Very high	95.8	Very high	16 Å²	16	76.5 Å²	76.5	6%	0.063	38%	0.383	C	S	.	.	H	α-helix	trans	-62	-51.7	173.5	179.8	-97.6	0	0	0	112.4	T99 N171 F178 I185 K188 F221 D222 I223 K224 A228 S229 E230	T99-Y226 HydrophobicContact CG2-CD1 4.25Å; T99-Y226 HydrophobicContact CG2-CE1 4.05Å; N171-Y226 PolarHBondContact ND2-OH 3.47Å; N171-Y226 VanDerWaalsContact ND2-OH 3.15Å; F178-Y226 HydrophobicContact CE1-CE1 4.08Å; F178-Y226 HydrophobicContact CZ-CD1 4.43Å; F178-Y226 HydrophobicContact CZ-CE1 4.13Å; I185-Y226 HydrophobicContact CD1-CD2 3.77Å; I185-Y226 HydrophobicContact CD1-CE2 3.53Å; K188-Y226 PolarHBondContact NZ-OH 3.28Å; F221-Y226 HydrophobicContact CE1-CD2 4.35Å; F221-Y226 AromaticContact CE1-CG 3.94Å; F221-Y226 HydrophobicContact CE1-CG 3.94Å; F221-Y226 AromaticContact CZ-CD2 3.76Å; F221-Y226 HydrophobicContact CZ-CD2 3.76Å; F221-Y226 AromaticContact CZ-CG 3.77Å; F221-Y226 HydrophobicContact CZ-CG 3.77Å; D222-Y226 WeakPolarHBondContact O-CB 3.38Å; D222-Y226 PolarHBondContact O-N 3.41Å; I223-Y226 HydrophobicContact CD1-CD1 4.19Å; I223-Y226 WeakPolarHBondContact O-CB 3.32Å; I223-Y226 PolarHBondContact O-N 2.98Å; K224-Y226 VanDerWaalsContact C-N 3.28Å; K224-Y226 PolarHBondContact O-N 3.31Å; Y226-A228 VanDerWaalsContact C-N 3.31Å; Y226-A228 PolarHBondContact O-N 2.87Å; Y226-S229 WeakPolarHBondContact O-CB 3.5Å; Y226-S229 PolarHBondContact O-N 2.82Å; Y226-E230 HydrophobicContact CD1-CG 4.22Å; Y226-E230 HydrophobicContact CE1-CG 3.77Å; Y226-E230 HydrophobicContact CE2-CG 4.14Å; Y226-E230 WeakPolarHBondContact O-CG 3.4Å; Y226-E230 PolarHBondContact O-N 3.17Å
227	E	95.9	Very high	95.8	Very high	28 Å²	28	73.3 Å²	73.3	13%	0.131	38%	0.379	C	S	.	.	H	α-helix	trans	-56.8	-44.3	176.3	-74.5	-178.3	142.4	0	0	111.5	L98 I223 K224 S229 E230 R231	L98-E227 HydrophobicContact CD2-CB 4.24Å; L98-E227 HydrophobicContact CD2-CG 4.4Å; I223-E227 WeakPolarHBondContact O-CG 3.24Å; I223-E227 PolarHBondContact O-N 3.27Å; K224-E227 WeakPolarHBondContact CD-OE2 3.45Å; K224-E227 IonicContact NZ-OE2 4Å; K224-E227 PolarHBondContact NZ-OE2 3.41Å; K224-E227 PolarHBondContact O-N 3.39Å; E227-S229 PolarHBondContact O-N 2.82Å; E227-E230 PolarHBondContact O-N 3.16Å; E227-R231 WeakPolarHBondContact O-CG 3.47Å; E227-R231 PolarHBondContact O-N 2.79Å
228	A	96.6	Very high	95.5	Very high	59 Å²	59	71 Å²	71	49%	0.488	37%	0.373	S	S	.	.	H	α-helix	trans	-62.4	-41.8	177.5	0	0	0	0	0	112.3	K224 G225 Y226 R231 N232	K224-A228 WeakPolarHBondContact O-CB 3.44Å; K224-A228 PolarHBondContact O-N 2.84Å; G225-A228 PolarHBondContact O-N 3.17Å; Y226-A228 VanDerWaalsContact C-N 3.31Å; Y226-A228 PolarHBondContact O-N 2.87Å; A228-R231 PolarHBondContact O-N 2.91Å; A228-N232 WeakPolarHBondContact O-CB 3.5Å; A228-N232 PolarHBondContact O-N 3.44Å
229	S	96.6	Very high	95.1	Very high	56 Å²	56	67.1 Å²	67.1	39%	0.392	36%	0.358	S	S	.	.	H	α-helix	trans	-62.8	-44	175.8	-174.3	0	0	0	0	111.9	G225 Y226 E227 N232 K233	G225-S229 WeakPolarHBondContact O-CB 3.33Å; G225-S229 PolarHBondContact O-N 2.94Å; Y226-S229 WeakPolarHBondContact O-CB 3.5Å; Y226-S229 PolarHBondContact O-N 2.82Å; E227-S229 PolarHBondContact O-N 2.82Å; S229-N232 PolarHBondContact O-N 3.07Å; S229-K233 WeakPolarHBondContact O-CG 3.34Å; S229-K233 PolarHBondContact O-N 3.01Å
230	E	95.1	Very high	94.9	Very high	17 Å²	17	73.9 Å²	73.9	8%	0.079	39%	0.387	C	S	.	.	H	α-helix	trans	-65.5	-40.8	177.2	-66.9	-63	119.5	0	0	111.8	L98 N171 K188 Y226 E227 K233 Q234	L98-E230 HydrophobicContact CD2-CB 4.34Å; N171-E230 PolarHBondContact ND2-OE2 2.95Å; K188-E230 IonicContact NZ-OE1 2.79Å; Y226-E230 HydrophobicContact CD1-CG 4.22Å; Y226-E230 HydrophobicContact CE1-CG 3.77Å; Y226-E230 HydrophobicContact CE2-CG 4.14Å; Y226-E230 WeakPolarHBondContact O-CG 3.4Å; Y226-E230 PolarHBondContact O-N 3.17Å; E227-E230 PolarHBondContact O-N 3.16Å; E230-K233 PolarHBondContact O-N 3.04Å; E230-K233 IonicContact OE1-NZ 3.87Å; E230-K233 PolarHBondContact OE1-NZ 2.79Å; E230-Q234 WeakPolarHBondContact O-CG 3.26Å; E230-Q234 PolarHBondContact O-N 3.08Å; E230-Q234 VanDerWaalsContact O-N 3.15Å
231	R	92.8	Very high	94.5	Very high	106 Å²	106	76.5 Å²	76.5	40%	0.4	39%	0.393	S	S	.	.	H	α-helix	trans	-61.7	-43.2	172.4	-71.5	-174	-166.7	-67.2	-0.9	112	L98 E227 A228 K233 Q234 Q235 E455	L98-R231 HydrophobicContact CD2-CG 3.75Å; E227-R231 WeakPolarHBondContact O-CG 3.47Å; E227-R231 PolarHBondContact O-N 2.79Å; A228-R231 PolarHBondContact O-N 2.91Å; R231-K233 VanDerWaalsContact C-N 3.32Å; R231-K233 PolarHBondContact O-N 2.85Å; R231-Q234 WeakPolarHBondContact O-CB 3.47Å; R231-Q234 PolarHBondContact O-N 3.47Å; R231-Q234 VanDerWaalsContact O-N 3.16Å; R231-Q235 PolarHBondContact O-N 3.45Å; R231-E455 IonicContact CZ-OE1 3.77Å; R231-E455 IonicContact CZ-OE2 3.25Å; R231-E455 VanDerWaalsContact NH1-CD 3.32Å; R231-E455 IonicContact NH1-OE1 3.3Å; R231-E455 PolarHBondContact NH1-OE1 2.83Å; R231-E455 VanDerWaalsContact NH1-OE1 3.1Å; R231-E455 IonicContact NH1-OE2 2.69Å; R231-E455 PolarHBondContact NH1-OE2 2.94Å; R231-E455 IonicContact NH2-OE1 2.83Å; R231-E455 PolarHBondContact NH2-OE1 3.32Å; R231-E455 IonicContact NH2-OE2 2.7Å
232	N	94.8	Very high	94	Very high	93 Å²	93	81 Å²	81	50%	0.497	43%	0.427	S	S	.	.	H	α-helix	trans	-62.2	-39.7	177.7	-173.8	35.4	0	0	0	111.9	A228 S229 Q234 Q235 L236	A228-N232 WeakPolarHBondContact O-CB 3.5Å; A228-N232 PolarHBondContact O-N 3.44Å; S229-N232 PolarHBondContact O-N 3.07Å; N232-Q234 VanDerWaalsContact C-N 3.32Å; N232-Q234 PolarHBondContact O-N 2.99Å; N232-Q235 PolarHBondContact O-N 2.93Å; N232-L236 WeakPolarHBondContact O-CB 3.43Å; N232-L236 WeakPolarHBondContact O-CG 3.49Å; N232-L236 PolarHBondContact O-N 3.21Å
233	K	94	Very high	93.2	Very high	109 Å²	109	81.5 Å²	81.5	47%	0.474	43%	0.428	S	S	.	.	H	α-helix	trans	-60.1	-42.2	173.8	-70	170.9	-169	172.9	0	112.1	S229 E230 R231 A237	S229-K233 WeakPolarHBondContact O-CG 3.34Å; S229-K233 PolarHBondContact O-N 3.01Å; E230-K233 PolarHBondContact O-N 3.04Å; E230-K233 IonicContact OE1-NZ 3.87Å; E230-K233 PolarHBondContact OE1-NZ 2.79Å; R231-K233 VanDerWaalsContact C-N 3.32Å; R231-K233 PolarHBondContact O-N 2.85Å; K233-A237 PolarHBondContact O-N 3.39Å; K233-A237 VanDerWaalsContact O-N 3.09Å
234	Q	90.4	Very high	92.5	Very high	77 Å²	77	84 Å²	84	36%	0.36	45%	0.445	S	S	.	.	H	α-helix	trans	-64.1	-44	175.5	-66.3	173.4	11	0	0	111.2	A173 E230 R231 N232 A237 I238	A173-Q234 VanDerWaalsContact CB-NE2 3.28Å; E230-Q234 WeakPolarHBondContact O-CG 3.26Å; E230-Q234 PolarHBondContact O-N 3.08Å; E230-Q234 VanDerWaalsContact O-N 3.15Å; R231-Q234 WeakPolarHBondContact O-CB 3.47Å; R231-Q234 PolarHBondContact O-N 3.47Å; R231-Q234 VanDerWaalsContact O-N 3.16Å; N232-Q234 VanDerWaalsContact C-N 3.32Å; N232-Q234 PolarHBondContact O-N 2.99Å; Q234-A237 WeakPolarHBondContact O-CB 3.35Å; Q234-A237 PolarHBondContact O-N 3.29Å; Q234-I238 WeakPolarHBondContact O-CG1 3.43Å; Q234-I238 PolarHBondContact O-N 3.34Å
235	Q	90.6	Very high	91.4	Very high	88 Å²	88	82.2 Å²	82.2	41%	0.411	45%	0.449	S	S	.	.	H	α-helix	trans	-61.3	-46.8	178.1	-176.5	58.1	33.9	0	0	111.9	R231 N232 A237 I238 E239	R231-Q235 PolarHBondContact O-N 3.45Å; N232-Q235 PolarHBondContact O-N 2.93Å; Q235-A237 VanDerWaalsContact C-N 3.25Å; Q235-A237 PolarHBondContact O-N 3.48Å; Q235-I238 WeakPolarHBondContact O-CA 3.41Å; Q235-I238 WeakPolarHBondContact O-CB 3.4Å; Q235-I238 PolarHBondContact O-N 3.45Å; Q235-E239 WeakPolarHBondContact CG-OE1 3.4Å; Q235-E239 PolarHBondContact NE2-OE1 3.25Å; Q235-E239 WeakPolarHBondContact O-CG 3.47Å; Q235-E239 PolarHBondContact O-N 3.42Å
236	L	94.6	Very high	90.5	Very high	77 Å²	77	82.3 Å²	82.3	40%	0.403	44%	0.442	S	S	.	.	H	α-helix	trans	-62	-32.7	175.4	-71.2	171.3	0	0	0	112.7	N232 K240	N232-L236 WeakPolarHBondContact O-CB 3.43Å; N232-L236 WeakPolarHBondContact O-CG 3.49Å; N232-L236 PolarHBondContact O-N 3.21Å; L236-K240 VanDerWaalsContact O-CG 3.26Å; L236-K240 WeakPolarHBondContact O-CG 3.25Å; L236-K240 PolarHBondContact O-N 3.33Å
237	A	92.6	Very high	89.8	Confident	57 Å²	57	85.3 Å²	85.3	47%	0.471	46%	0.459	S	S	.	.	H	α-helix	trans	-68.9	-39.3	173.9	0	0	0	0	0	111.4	K233 Q234 Q235	K233-A237 PolarHBondContact O-N 3.39Å; K233-A237 VanDerWaalsContact O-N 3.09Å; Q234-A237 WeakPolarHBondContact O-CB 3.35Å; Q234-A237 PolarHBondContact O-N 3.29Å; Q235-A237 VanDerWaalsContact C-N 3.25Å; Q235-A237 PolarHBondContact O-N 3.48Å
238	I	89.3	Confident	89.3	Confident	101 Å²	101	86 Å²	86	52%	0.518	47%	0.473	S	S	.	.	H	α-helix	trans	-65.4	-44.8	175.1	-67.3	164.6	0	0	0	110.8	Q234 Q235 K240 I241	Q234-I238 WeakPolarHBondContact O-CG1 3.43Å; Q234-I238 PolarHBondContact O-N 3.34Å; Q235-I238 WeakPolarHBondContact O-CA 3.41Å; Q235-I238 WeakPolarHBondContact O-CB 3.4Å; Q235-I238 PolarHBondContact O-N 3.45Å; I238-K240 PolarHBondContact O-N 3.09Å; I238-I241 VanDerWaalsContact O-CB 3.23Å; I238-I241 WeakPolarHBondContact O-CB 3.37Å; I238-I241 PolarHBondContact O-N 2.72Å
239	E	90.2	Very high	88.8	Confident	122 Å²	122	85 Å²	85	57%	0.57	46%	0.457	S	S	*	.	H	α-helix	trans	-66.1	-24.5	-179.2	-73.7	171.2	-174.9	0	0	113.7	Q235 I241	Q235-E239 WeakPolarHBondContact CG-OE1 3.4Å; Q235-E239 PolarHBondContact NE2-OE1 3.25Å; Q235-E239 WeakPolarHBondContact O-CG 3.47Å; Q235-E239 PolarHBondContact O-N 3.42Å; E239-I241 PolarHBondContact O-N 3.5Å
240	K	93.6	Very high	88.2	Confident	175 Å²	175	82.8 Å²	82.8	76%	0.761	44%	0.442	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.1	-16.9	171.8	-75.3	171.4	-176.4	-178.8	0	112.9	L236 I238 S242	L236-K240 VanDerWaalsContact O-CG 3.26Å; L236-K240 WeakPolarHBondContact O-CG 3.25Å; L236-K240 PolarHBondContact O-N 3.33Å; I238-K240 PolarHBondContact O-N 3.09Å; K240-S242 PolarHBondContact O-N 3.21Å; K240-S242 VanDerWaalsContact O-N 3.14Å
241	I	90.6	Very high	88	Confident	111 Å²	111	84 Å²	84	57%	0.569	45%	0.449	S	S	*	.	S	Bend	trans	-76.1	102.1	174.5	-56	173.7	0	0	0	107.3	I238 E239 I243	I238-I241 VanDerWaalsContact O-CB 3.23Å; I238-I241 WeakPolarHBondContact O-CB 3.37Å; I238-I241 PolarHBondContact O-N 2.72Å; E239-I241 PolarHBondContact O-N 3.5Å; I241-I243 HydrophobicContact CG2-CG1 4.42Å; I241-I243 PolarHBondContact O-N 3.28Å
242	S	86.7	Confident	87.9	Confident	114 Å²	114	82 Å²	82	80%	0.797	45%	0.448	S	S	*	.			trans	-73.3	121.5	173	-172.3	0	0	0	0	109.7	K240	K240-S242 PolarHBondContact O-N 3.21Å; K240-S242 VanDerWaalsContact O-N 3.14Å
243	I	83	Confident	87.7	Confident	115 Å²	115	79.3 Å²	79.3	59%	0.59	43%	0.432	S	S	*	.			trans	-106.7	131.6	171.6	-53.9	174	0	0	0	106.9	I241 I247	I241-I243 HydrophobicContact CG2-CG1 4.42Å; I241-I243 PolarHBondContact O-N 3.28Å; I243-I247 HydrophobicContact CG2-CB 3.99Å; I243-I247 HydrophobicContact CG2-CG1 4.24Å; I243-I247 HydrophobicContact CG2-CG2 4.19Å
244	P	83.3	Confident	87.6	Confident	72 Å²	72	74.8 Å²	74.8	47%	0.468	41%	0.414	S	S	.	.			trans	-55.8	131.4	177	-25.2	34.1	0	0	0	111.1	N246 I247	P244-N246 WeakPolarHBondContact CB-OD1 3.28Å; P244-N246 PolarHBondContact O-N 2.85Å; P244-N246 VanDerWaalsContact O-N 3.08Å; P244-I247 HydrophobicContact CB-CG1 4.04Å; P244-I247 HydrophobicContact CG-CG1 4.33Å; P244-I247 WeakPolarHBondContact O-CB 3.43Å; P244-I247 WeakPolarHBondContact O-CG1 3.39Å; P244-I247 PolarHBondContact O-N 3.46Å
245	P	73.5	Confident	87.7	Confident	105 Å²	105	74.5 Å²	74.5	68%	0.682	41%	0.41	S	S	*	.	H	α-helix	trans	-62.1	-24.8	-169.5	22.6	-33.7	0	0	0	113.5	I247	P245-I247 VanDerWaalsContact C-N 3.31Å; P245-I247 PolarHBondContact O-N 2.79Å
246	N	78.4	Confident	88	Confident	31 Å²	31	71 Å²	71	17%	0.166	39%	0.394	C	S	.	.	H	α-helix	trans	-71.5	-20.2	177.2	65.1	-36.4	0	0	0	113.6	P244 Y249 G250 I279	P244-N246 WeakPolarHBondContact CB-OD1 3.28Å; P244-N246 PolarHBondContact O-N 2.85Å; P244-N246 VanDerWaalsContact O-N 3.08Å; N246-Y249 PolarHBondContact O-N 2.95Å; N246-G250 PolarHBondContact O-N 3.32Å; N246-I279 HydrophobicContact CB-CG1 4.08Å
247	I	84.2	Confident	87.9	Confident	79 Å²	79	68 Å²	68	41%	0.405	38%	0.378	S	S	.	.	H	α-helix	trans	-66.2	-44.3	179.8	-62.5	-63.8	0	0	0	111.2	I243 P244 P245 Y249 G250 L251	I243-I247 HydrophobicContact CG2-CB 3.99Å; I243-I247 HydrophobicContact CG2-CG1 4.24Å; I243-I247 HydrophobicContact CG2-CG2 4.19Å; P244-I247 HydrophobicContact CB-CG1 4.04Å; P244-I247 HydrophobicContact CG-CG1 4.33Å; P244-I247 WeakPolarHBondContact O-CB 3.43Å; P244-I247 WeakPolarHBondContact O-CG1 3.39Å; P244-I247 PolarHBondContact O-N 3.46Å; P245-I247 VanDerWaalsContact C-N 3.31Å; P245-I247 PolarHBondContact O-N 2.79Å; I247-Y249 VanDerWaalsContact C-N 3.34Å; I247-Y249 PolarHBondContact O-N 3.39Å; I247-G250 PolarHBondContact O-N 2.94Å; I247-L251 HydrophobicContact CG2-CD1 4.19Å; I247-L251 HydrophobicContact CG2-CG 4.42Å; I247-L251 WeakPolarHBondContact O-CG 3.49Å; I247-L251 PolarHBondContact O-N 2.88Å
248	G	84.3	Confident	87.9	Confident	41 Å²	41	65.5 Å²	65.5	42%	0.423	36%	0.357	S	S	.	.	H	α-helix	trans	-60.3	-45	178	0	0	0	0	0	111.8	L251 V252	G248-L251 PolarHBondContact O-N 3.48Å; G248-V252 WeakPolarHBondContact O-CG2 3.33Å; G248-V252 PolarHBondContact O-N 3.12Å
249	Y	85.5	Confident	88.2	Confident	40 Å²	40	61 Å²	61	16%	0.157	33%	0.333	C	S	.	.	H	α-helix	trans	-61.1	-44.8	174.2	174.2	-112.4	0	0	0	111.8	N246 I247 L251 V252 K253 F268 N269 T272 V276 I279	N246-Y249 PolarHBondContact O-N 2.95Å; I247-Y249 VanDerWaalsContact C-N 3.34Å; I247-Y249 PolarHBondContact O-N 3.39Å; Y249-L251 PolarHBondContact O-N 3.07Å; Y249-V252 PolarHBondContact O-N 3.02Å; Y249-K253 HydrophobicContact CE1-CD 4.47Å; Y249-K253 WeakPolarHBondContact O-CB 3.32Å; Y249-K253 PolarHBondContact O-N 2.84Å; Y249-F268 HydrophobicContact CD2-CD1 4.14Å; Y249-F268 AromaticContact CD2-CE1 3.19Å; Y249-F268 HydrophobicContact CD2-CE1 3.19Å; Y249-F268 HydrophobicContact CD2-CE2 4.43Å; Y249-F268 AromaticContact CD2-CZ 3.37Å; Y249-F268 HydrophobicContact CD2-CZ 3.37Å; Y249-F268 AromaticContact CE2-CD1 3.64Å; Y249-F268 HydrophobicContact CE2-CD1 3.64Å; Y249-F268 AromaticContact CE2-CE1 3.13Å; Y249-F268 HydrophobicContact CE2-CE1 3.13Å; Y249-F268 AromaticContact CE2-CZ 3.77Å; Y249-F268 HydrophobicContact CE2-CZ 3.77Å; Y249-F268 HydrophobicContact CG-CE1 4.31Å; Y249-F268 HydrophobicContact CG-CZ 4.46Å; Y249-N269 PolarHBondContact OH-OD1 3.03Å; Y249-T272 HydrophobicContact CD2-CG2 3.71Å; Y249-T272 HydrophobicContact CE2-CG2 3.68Å; Y249-T272 WeakPolarHBondContact CE2-OG1 3.38Å; Y249-V276 HydrophobicContact CD1-CG1 4.01Å; Y249-V276 HydrophobicContact CD2-CG2 4.5Å; Y249-V276 HydrophobicContact CG-CG1 4.11Å; Y249-V276 HydrophobicContact CG-CG2 4.36Å; Y249-I279 HydrophobicContact CD1-CD1 3.14Å; Y249-I279 HydrophobicContact CD1-CG1 3.49Å; Y249-I279 VanDerWaalsContact CD1-CG1 3.49Å; Y249-I279 HydrophobicContact CE1-CD1 3.34Å; Y249-I279 HydrophobicContact CE1-CG1 3.88Å; Y249-I279 HydrophobicContact CG-CD1 4.26Å
250	G	85.7	Confident	88.4	Confident	8 Å²	8	55.2 Å²	55.2	8%	0.082	31%	0.306	C	S	.	.	H	α-helix	trans	-58	-45.4	176.9	0	0	0	0	0	113.1	N246 I247 V252 K253 T254	N246-G250 PolarHBondContact O-N 3.32Å; I247-G250 PolarHBondContact O-N 2.94Å; G250-V252 PolarHBondContact O-N 3.45Å; G250-K253 PolarHBondContact O-N 2.93Å; G250-T254 WeakPolarHBondContact O-CG2 3.48Å; G250-T254 PolarHBondContact O-N 3.06Å; G250-T254 PolarHBondContact O-OG1 3.24Å; G250-T254 VanDerWaalsContact O-OG1 3.12Å
251	L	89.9	Confident	88.6	Confident	44 Å²	44	48.8 Å²	48.8	23%	0.23	28%	0.278	C	S	.	.	H	α-helix	trans	-64.1	-40.6	178.9	-71	175.4	0	0	0	113	I247 G248 Y249 T254 Y255 H431 L435	I247-L251 HydrophobicContact CG2-CD1 4.19Å; I247-L251 HydrophobicContact CG2-CG 4.42Å; I247-L251 WeakPolarHBondContact O-CG 3.49Å; I247-L251 PolarHBondContact O-N 2.88Å; G248-L251 PolarHBondContact O-N 3.48Å; Y249-L251 PolarHBondContact O-N 3.07Å; L251-T254 PolarHBondContact O-OG1 3.09Å; L251-Y255 WeakPolarHBondContact O-CB 3.44Å; L251-Y255 PolarHBondContact O-N 3.21Å; L251-H431 HydrophobicContact CD2-CB 4.09Å; L251-L435 HydrophobicContact CD1-CD1 3.91Å; L251-L435 HydrophobicContact CD2-CD1 3.58Å; L251-L435 HydrophobicContact CG-CD1 4.41Å
252	V	91.4	Very high	88.8	Confident	62 Å²	62	44.9 Å²	44.9	38%	0.376	26%	0.257	S	S	.	.	H	α-helix	trans	-68.3	-45.3	176.3	177.1	0	0	0	0	110.2	G248 Y249 G250 T254 Y255 L256 F268	G248-V252 WeakPolarHBondContact O-CG2 3.33Å; G248-V252 PolarHBondContact O-N 3.12Å; Y249-V252 PolarHBondContact O-N 3.02Å; G250-V252 PolarHBondContact O-N 3.45Å; V252-T254 PolarHBondContact O-N 3Å; V252-Y255 PolarHBondContact O-N 3.42Å; V252-L256 HydrophobicContact CG1-CD1 4Å; V252-L256 HydrophobicContact CG1-CG 4.34Å; V252-L256 WeakPolarHBondContact O-CG 3.44Å; V252-L256 PolarHBondContact O-N 3.07Å; V252-F268 HydrophobicContact CB-CE1 3.88Å; V252-F268 HydrophobicContact CB-CE2 4.34Å; V252-F268 HydrophobicContact CB-CZ 3.6Å; V252-F268 HydrophobicContact CG1-CD1 4.21Å; V252-F268 HydrophobicContact CG1-CD2 4.26Å; V252-F268 HydrophobicContact CG1-CE1 3.66Å; V252-F268 HydrophobicContact CG1-CE2 3.75Å; V252-F268 HydrophobicContact CG1-CG 4.47Å; V252-F268 HydrophobicContact CG1-CZ 3.41Å; V252-F268 VanDerWaalsContact CG1-CZ 3.41Å; V252-F268 HydrophobicContact CG2-CZ 4.36Å
253	K	90.9	Very high	89.3	Confident	38 Å²	38	44.8 Å²	44.8	17%	0.165	24%	0.244	C	C	.	.	H	α-helix	trans	-57.3	-49.7	177.8	-174.4	-165.9	170	-157.3	0	111.2	Y249 G250 Y255 L256 L257 L265 F268 I279 E289	Y249-K253 HydrophobicContact CE1-CD 4.47Å; Y249-K253 WeakPolarHBondContact O-CB 3.32Å; Y249-K253 PolarHBondContact O-N 2.84Å; G250-K253 PolarHBondContact O-N 2.93Å; K253-Y255 VanDerWaalsContact C-N 3.35Å; K253-Y255 PolarHBondContact O-N 3.11Å; K253-L256 PolarHBondContact O-N 3.19Å; K253-L257 HydrophobicContact CG-CD1 4.09Å; K253-L257 WeakPolarHBondContact O-CB 3.38Å; K253-L257 WeakPolarHBondContact O-CG 3.47Å; K253-L257 PolarHBondContact O-N 3.19Å; K253-L265 HydrophobicContact CG-CD1 3.82Å; K253-F268 HydrophobicContact CB-CE1 4.41Å; K253-I279 HydrophobicContact CD-CD1 4.47Å; K253-E289 IonicContact NZ-OE1 3.73Å; K253-E289 PolarHBondContact NZ-OE1 3.27Å; K253-E289 IonicContact NZ-OE2 3.5Å; K253-E289 PolarHBondContact NZ-OE2 3.41Å
254	T	90.2	Very high	89.9	Confident	13 Å²	13	43 Å²	43	8%	0.08	24%	0.239	C	C	.	.	H	α-helix	trans	-67.1	-35.1	-179.8	58.1	0	0	0	0	112.2	G250 L251 V252 H258	G250-T254 WeakPolarHBondContact O-CG2 3.48Å; G250-T254 PolarHBondContact O-N 3.06Å; G250-T254 PolarHBondContact O-OG1 3.24Å; G250-T254 VanDerWaalsContact O-OG1 3.12Å; L251-T254 PolarHBondContact O-OG1 3.09Å; V252-T254 PolarHBondContact O-N 3Å; T254-H258 WeakPolarHBondContact O-CB 3.39Å; T254-H258 PolarHBondContact O-N 3.22Å
255	Y	93.7	Very high	90.4	Very high	71 Å²	71	39.9 Å²	39.9	28%	0.278	22%	0.218	S	C	.	.	H	α-helix	trans	-61.1	-48.4	172.6	-178.1	-89.1	0	0	0	111.9	L251 V252 K253 L257 H258 Y259 Y261 S430 L432	L251-Y255 WeakPolarHBondContact O-CB 3.44Å; L251-Y255 PolarHBondContact O-N 3.21Å; V252-Y255 PolarHBondContact O-N 3.42Å; K253-Y255 VanDerWaalsContact C-N 3.35Å; K253-Y255 PolarHBondContact O-N 3.11Å; Y255-L257 PolarHBondContact O-N 2.71Å; Y255-H258 PolarHBondContact O-N 3.25Å; Y255-Y259 HydrophobicContact CD1-CD2 4.37Å; Y255-Y259 AromaticContact CD2-CD2 3.93Å; Y255-Y259 HydrophobicContact CD2-CD2 3.93Å; Y255-Y259 AromaticContact CD2-CE2 3.9Å; Y255-Y259 HydrophobicContact CD2-CE2 3.9Å; Y255-Y259 HydrophobicContact CE1-CD2 4.07Å; Y255-Y259 AromaticContact CE2-CD2 3.59Å; Y255-Y259 HydrophobicContact CE2-CD2 3.59Å; Y255-Y259 AromaticContact CE2-CE2 3.38Å; Y255-Y259 HydrophobicContact CE2-CE2 3.38Å; Y255-Y259 HydrophobicContact CG-CD2 4.3Å; Y255-Y259 AromaticContact CZ-CD2 3.65Å; Y255-Y259 AromaticContact CZ-CE2 3.82Å; Y255-Y259 PolarHBondContact O-N 3.14Å; Y255-Y259 VanDerWaalsContact O-N 3.11Å; Y255-Y261 HydrophobicContact CE1-CD2 4.39Å; Y255-Y261 AromaticContact CE1-CE2 3.94Å; Y255-Y261 HydrophobicContact CE1-CE2 3.94Å; Y255-S430 WeakPolarHBondContact CD2-OG 3.37Å; Y255-L432 HydrophobicContact CD2-CB 4.43Å; Y255-L432 HydrophobicContact CD2-CD2 4.25Å
256	L	95.5	Very high	91.4	Very high	16 Å²	16	39.3 Å²	39.3	8%	0.084	21%	0.209	C	C	.	.	H	α-helix	trans	-63.8	-41.7	179.6	-65.5	174.6	0	0	0	112	V252 K253 G260 Y261 T264 L265 F268	V252-L256 HydrophobicContact CG1-CD1 4Å; V252-L256 HydrophobicContact CG1-CG 4.34Å; V252-L256 WeakPolarHBondContact O-CG 3.44Å; V252-L256 PolarHBondContact O-N 3.07Å; K253-L256 PolarHBondContact O-N 3.19Å; L256-G260 PolarHBondContact O-N 2.91Å; L256-G260 VanDerWaalsContact O-N 3.13Å; L256-Y261 HydrophobicContact CD2-CD2 3.96Å; L256-Y261 HydrophobicContact CD2-CG 4.19Å; L256-Y261 PolarHBondContact O-N 2.9Å; L256-T264 HydrophobicContact CD1-CG2 4.15Å; L256-T264 HydrophobicContact CD2-CG2 3.82Å; L256-L265 HydrophobicContact CB-CB 4.05Å; L256-L265 HydrophobicContact CB-CD1 4.15Å; L256-L265 HydrophobicContact CD1-CB 4.39Å; L256-L265 HydrophobicContact CD1-CD1 4.42Å; L256-F268 HydrophobicContact CD1-CB 4.02Å; L256-F268 HydrophobicContact CD1-CD1 4.12Å; L256-F268 HydrophobicContact CD1-CG 4.12Å
257	L	93	Very high	92.2	Very high	12 Å²	12	40.8 Å²	40.8	6%	0.063	23%	0.225	C	C	.	.	H	α-helix	trans	-60.5	-51	172.8	-79.9	167.3	0	0	0	111.8	K253 Y255 Y259 G260 L265 L296 R299	K253-L257 HydrophobicContact CG-CD1 4.09Å; K253-L257 WeakPolarHBondContact O-CB 3.38Å; K253-L257 WeakPolarHBondContact O-CG 3.47Å; K253-L257 PolarHBondContact O-N 3.19Å; Y255-L257 PolarHBondContact O-N 2.71Å; L257-Y259 VanDerWaalsContact C-N 3.31Å; L257-Y259 PolarHBondContact O-N 3.47Å; L257-G260 PolarHBondContact O-N 3.4Å; L257-G260 VanDerWaalsContact O-N 3.17Å; L257-L265 HydrophobicContact CD2-CD2 3.33Å; L257-L265 HydrophobicContact CG-CD1 4.38Å; L257-L265 HydrophobicContact CG-CD2 3.6Å; L257-L296 HydrophobicContact CD2-CD2 3.98Å; L257-R299 PolarHBondContact O-NH1 3.33Å; L257-R299 PolarHBondContact O-NH2 2.99Å
258	H	92.7	Very high	92.5	Very high	6 Å²	6	39.5 Å²	39.5	3%	0.028	22%	0.217	C	C	.	.	H	α-helix	trans	-57.2	-43.8	-176.1	-177.6	87.2	0	0	0	111.9	T254 Y255 R299 N409 H427 Q429 S430	T254-H258 WeakPolarHBondContact O-CB 3.39Å; T254-H258 PolarHBondContact O-N 3.22Å; Y255-H258 PolarHBondContact O-N 3.25Å; H258-R299 PolarHBondContact O-NH1 2.92Å; H258-N409 PolarHBondContact O-ND2 3.3Å; H258-N409 PolarHBondContact O-OD1 2.85Å; H258-H427 PolarHBondContact CE1-O 3.47Å; H258-H427 PolarHBondContact NE2-O 3.31Å; H258-Q429 VanDerWaalsContact CE1-C 3.41Å; H258-Q429 PolarHBondContact CE1-O 2.98Å; H258-S430 PolarHBondContact NE2-N 3.11Å
259	Y	95.3	Very high	92.7	Very high	5 Å²	5	39.3 Å²	39.3	2%	0.02	21%	0.207	C	C	.	.	H	α-helix	trans	-89.9	-4.8	-178.5	-76.7	-71.5	0	0	0	114.8	Y255 L257 Y261 R303 D406 N409 E433	Y255-Y259 HydrophobicContact CD1-CD2 4.37Å; Y255-Y259 AromaticContact CD2-CD2 3.93Å; Y255-Y259 HydrophobicContact CD2-CD2 3.93Å; Y255-Y259 AromaticContact CD2-CE2 3.9Å; Y255-Y259 HydrophobicContact CD2-CE2 3.9Å; Y255-Y259 HydrophobicContact CE1-CD2 4.07Å; Y255-Y259 AromaticContact CE2-CD2 3.59Å; Y255-Y259 HydrophobicContact CE2-CD2 3.59Å; Y255-Y259 AromaticContact CE2-CE2 3.38Å; Y255-Y259 HydrophobicContact CE2-CE2 3.38Å; Y255-Y259 HydrophobicContact CG-CD2 4.3Å; Y255-Y259 AromaticContact CZ-CD2 3.65Å; Y255-Y259 AromaticContact CZ-CE2 3.82Å; Y255-Y259 PolarHBondContact O-N 3.14Å; Y255-Y259 VanDerWaalsContact O-N 3.11Å; L257-Y259 VanDerWaalsContact C-N 3.31Å; L257-Y259 PolarHBondContact O-N 3.47Å; Y259-Y261 HydrophobicContact CG-CE2 4.11Å; Y259-R303 VanDerWaalsContact O-CZ 3.29Å; Y259-R303 PolarHBondContact O-NE 2.92Å; Y259-R303 PolarHBondContact O-NH2 2.6Å; Y259-D406 HydrophobicContact CD1-CB 4.42Å; Y259-D406 VanDerWaalsContact CD1-OD1 3.32Å; Y259-D406 WeakPolarHBondContact CD1-OD1 3.36Å; Y259-D406 HydrophobicContact CE1-CB 4.02Å; Y259-D406 VanDerWaalsContact CE1-CG 3.5Å; Y259-N409 PolarHBondContact O-OD1 2.83Å; Y259-E433 PolarHBondContact OH-OE1 3.1Å; Y259-E433 PolarHBondContact OH-OE2 2.71Å
260	G	95.5	Very high	93	Very high	1 Å²	1	43 Å²	43	1%	0.01	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	81.2	27.9	175.6	0	0	0	0	0	113.9	L256 L257 E262 K300	L256-G260 PolarHBondContact O-N 2.91Å; L256-G260 VanDerWaalsContact O-N 3.13Å; L257-G260 PolarHBondContact O-N 3.4Å; L257-G260 VanDerWaalsContact O-N 3.17Å; G260-E262 PolarHBondContact O-N 2.93Å; G260-K300 WeakPolarHBondContact O-CA 3.17Å; G260-K300 WeakPolarHBondContact O-CB 3.43Å
261	Y	96.6	Very high	93.1	Very high	41 Å²	41	46 Å²	46	16%	0.161	25%	0.253	C	S	.	.			trans	-81.4	57.3	175.7	-62.9	-64.7	0	0	0	111.4	Y255 L256 Y259 E263 T264 L265	Y255-Y261 HydrophobicContact CE1-CD2 4.39Å; Y255-Y261 AromaticContact CE1-CE2 3.94Å; Y255-Y261 HydrophobicContact CE1-CE2 3.94Å; L256-Y261 HydrophobicContact CD2-CD2 3.96Å; L256-Y261 HydrophobicContact CD2-CG 4.19Å; L256-Y261 PolarHBondContact O-N 2.9Å; Y259-Y261 HydrophobicContact CG-CE2 4.11Å; Y261-E263 PolarHBondContact O-N 3.05Å; Y261-T264 PolarHBondContact O-N 3.23Å; Y261-L265 WeakPolarHBondContact O-CB 3.46Å; Y261-L265 PolarHBondContact O-N 3.34Å
262	E	96.2	Very high	92.8	Very high	28 Å²	28	44.8 Å²	44.8	13%	0.131	25%	0.247	C	C	.	.	H	α-helix	trans	-52.8	-50.1	-173.5	-175.1	-167.1	-132.8	0	0	113.1	G260 T264 L265 D266 L296 K297 K300	G260-E262 PolarHBondContact O-N 2.93Å; E262-T264 PolarHBondContact O-N 3.48Å; E262-L265 WeakPolarHBondContact O-CB 3.47Å; E262-L265 PolarHBondContact O-N 3.32Å; E262-L265 VanDerWaalsContact O-N 3.16Å; E262-D266 PolarHBondContact O-N 2.96Å; E262-L296 HydrophobicContact CB-CD1 4.36Å; E262-L296 HydrophobicContact CB-CD2 4.44Å; E262-L296 HydrophobicContact CB-CG 4.14Å; E262-L296 HydrophobicContact CG-CD2 4.19Å; E262-L296 HydrophobicContact CG-CG 4.22Å; E262-K297 WeakPolarHBondContact OE1-CD 3.49Å; E262-K297 IonicContact OE1-NZ 3.44Å; E262-K297 WeakPolarHBondContact OE2-CD 3.35Å; E262-K297 IonicContact OE2-NZ 2.73Å; E262-K297 PolarHBondContact OE2-NZ 3.3Å; E262-K300 HydrophobicContact CB-CB 3.95Å; E262-K300 HydrophobicContact CB-CG 3.92Å
263	E	95.8	Very high	92.3	Very high	112 Å²	112	48.8 Å²	48.8	52%	0.523	26%	0.259	S	S	.	.	H	α-helix	trans	-64.3	-41.5	-178	-69.9	173	176.6	0	0	112.1	Y261 L265 D266 A267 K300	Y261-E263 PolarHBondContact O-N 3.05Å; E263-L265 VanDerWaalsContact C-N 3.33Å; E263-D266 PolarHBondContact O-N 2.71Å; E263-A267 PolarHBondContact O-N 3.03Å; E263-K300 WeakPolarHBondContact OE1-CE 3.5Å; E263-K300 IonicContact OE1-NZ 2.87Å; E263-K300 PolarHBondContact OE1-NZ 3.5Å; E263-K300 IonicContact OE2-NZ 3.86Å
264	T	96.2	Very high	91.7	Very high	79 Å²	79	54.7 Å²	54.7	49%	0.485	29%	0.292	S	S	.	.	H	α-helix	trans	-65.7	-39	174.9	-51.5	0	0	0	0	110.8	L256 Y261 E262 A267 F268	L256-T264 HydrophobicContact CD1-CG2 4.15Å; L256-T264 HydrophobicContact CD2-CG2 3.82Å; Y261-T264 PolarHBondContact O-N 3.23Å; E262-T264 PolarHBondContact O-N 3.48Å; T264-A267 PolarHBondContact O-N 3.37Å; T264-F268 WeakPolarHBondContact O-CB 3.37Å; T264-F268 PolarHBondContact O-N 2.93Å
265	L	93.9	Very high	90.9	Very high	6 Å²	6	59 Å²	59	3%	0.031	32%	0.319	C	S	.	.	H	α-helix	trans	-63.2	-43	175.6	176.1	65.9	0	0	0	111.5	K253 L256 L257 Y261 E262 E263 F268 N269 L296	K253-L265 HydrophobicContact CG-CD1 3.82Å; L256-L265 HydrophobicContact CB-CB 4.05Å; L256-L265 HydrophobicContact CB-CD1 4.15Å; L256-L265 HydrophobicContact CD1-CB 4.39Å; L256-L265 HydrophobicContact CD1-CD1 4.42Å; L257-L265 HydrophobicContact CD2-CD2 3.33Å; L257-L265 HydrophobicContact CG-CD1 4.38Å; L257-L265 HydrophobicContact CG-CD2 3.6Å; Y261-L265 WeakPolarHBondContact O-CB 3.46Å; Y261-L265 PolarHBondContact O-N 3.34Å; E262-L265 WeakPolarHBondContact O-CB 3.47Å; E262-L265 PolarHBondContact O-N 3.32Å; E262-L265 VanDerWaalsContact O-N 3.16Å; E263-L265 VanDerWaalsContact C-N 3.33Å; L265-F268 PolarHBondContact O-N 2.79Å; L265-N269 VanDerWaalsContact O-CB 3.3Å; L265-N269 WeakPolarHBondContact O-CB 3.42Å; L265-N269 PolarHBondContact O-N 3.2Å; L265-N269 PolarHBondContact O-ND2 3.15Å; L265-L296 HydrophobicContact CD2-CD2 4.21Å
266	D	94	Very high	89.8	Confident	93 Å²	93	57.4 Å²	57.4	50%	0.497	32%	0.317	S	S	.	.	H	α-helix	trans	-63.5	-45.8	177.1	-74.6	-22.5	0	0	0	111.6	E262 E263 F268 N269 L270	E262-D266 PolarHBondContact O-N 2.96Å; E263-D266 PolarHBondContact O-N 2.71Å; D266-F268 VanDerWaalsContact C-N 3.34Å; D266-F268 PolarHBondContact O-N 2.9Å; D266-N269 PolarHBondContact O-N 2.89Å; D266-L270 WeakPolarHBondContact O-CB 3.33Å; D266-L270 PolarHBondContact O-N 3.49Å
267	A	95	Very high	88.3	Confident	61 Å²	61	60.6 Å²	60.6	50%	0.504	34%	0.338	S	S	.	.	H	α-helix	trans	-61.5	-43.1	174.7	0	0	0	0	0	111.7	E263 T264 L270 A271	E263-A267 PolarHBondContact O-N 3.03Å; T264-A267 PolarHBondContact O-N 3.37Å; A267-L270 PolarHBondContact O-N 3.19Å; A267-A271 WeakPolarHBondContact O-CB 3.49Å; A267-A271 PolarHBondContact O-N 3.23Å
268	F	91.3	Very high	86.7	Confident	52 Å²	52	65.2 Å²	65.2	23%	0.228	37%	0.369	C	S	.	.	H	α-helix	trans	-64.3	-45.2	178	-176.9	-111.7	0	0	0	112.1	Y249 V252 K253 L256 T264 L265 D266 A271 T272	Y249-F268 HydrophobicContact CD2-CD1 4.14Å; Y249-F268 AromaticContact CD2-CE1 3.19Å; Y249-F268 HydrophobicContact CD2-CE1 3.19Å; Y249-F268 HydrophobicContact CD2-CE2 4.43Å; Y249-F268 AromaticContact CD2-CZ 3.37Å; Y249-F268 HydrophobicContact CD2-CZ 3.37Å; Y249-F268 AromaticContact CE2-CD1 3.64Å; Y249-F268 HydrophobicContact CE2-CD1 3.64Å; Y249-F268 AromaticContact CE2-CE1 3.13Å; Y249-F268 HydrophobicContact CE2-CE1 3.13Å; Y249-F268 AromaticContact CE2-CZ 3.77Å; Y249-F268 HydrophobicContact CE2-CZ 3.77Å; Y249-F268 HydrophobicContact CG-CE1 4.31Å; Y249-F268 HydrophobicContact CG-CZ 4.46Å; V252-F268 HydrophobicContact CB-CE1 3.88Å; V252-F268 HydrophobicContact CB-CE2 4.34Å; V252-F268 HydrophobicContact CB-CZ 3.6Å; V252-F268 HydrophobicContact CG1-CD1 4.21Å; V252-F268 HydrophobicContact CG1-CD2 4.26Å; V252-F268 HydrophobicContact CG1-CE1 3.66Å; V252-F268 HydrophobicContact CG1-CE2 3.75Å; V252-F268 HydrophobicContact CG1-CG 4.47Å; V252-F268 HydrophobicContact CG1-CZ 3.41Å; V252-F268 VanDerWaalsContact CG1-CZ 3.41Å; V252-F268 HydrophobicContact CG2-CZ 4.36Å; K253-F268 HydrophobicContact CB-CE1 4.41Å; L256-F268 HydrophobicContact CD1-CB 4.02Å; L256-F268 HydrophobicContact CD1-CD1 4.12Å; L256-F268 HydrophobicContact CD1-CG 4.12Å; T264-F268 WeakPolarHBondContact O-CB 3.37Å; T264-F268 PolarHBondContact O-N 2.93Å; L265-F268 PolarHBondContact O-N 2.79Å; D266-F268 VanDerWaalsContact C-N 3.34Å; D266-F268 PolarHBondContact O-N 2.9Å; F268-A271 PolarHBondContact O-N 3.01Å; F268-T272 HydrophobicContact CD2-CG2 4.48Å; F268-T272 HydrophobicContact CE2-CG2 4.24Å; F268-T272 HydrophobicContact CZ-CG2 4.35Å; F268-T272 WeakPolarHBondContact O-CB 3.48Å; F268-T272 VanDerWaalsContact O-CG2 3.31Å; F268-T272 WeakPolarHBondContact O-CG2 3.39Å; F268-T272 PolarHBondContact O-N 3.01Å; F268-T272 VanDerWaalsContact O-N 3.14Å; F268-T272 PolarHBondContact O-OG1 3.08Å
269	N	89.2	Confident	85	Confident	38 Å²	38	66.7 Å²	66.7	20%	0.203	38%	0.377	C	S	.	.	H	α-helix	trans	-62.2	-44.2	174.9	-71.6	-22.8	0	0	0	111	Y249 L265 D266 A271 T272 K273	Y249-N269 PolarHBondContact OH-OD1 3.03Å; L265-N269 VanDerWaalsContact O-CB 3.3Å; L265-N269 WeakPolarHBondContact O-CB 3.42Å; L265-N269 PolarHBondContact O-N 3.2Å; L265-N269 PolarHBondContact O-ND2 3.15Å; D266-N269 PolarHBondContact O-N 2.89Å; N269-A271 VanDerWaalsContact C-N 3.34Å; N269-A271 PolarHBondContact O-N 3.07Å; N269-T272 WeakPolarHBondContact CA-OG1 3.31Å; N269-T272 PolarHBondContact O-N 3.31Å; N269-T272 PolarHBondContact O-OG1 3.07Å; N269-K273 VanDerWaalsContact O-CG 3.31Å; N269-K273 WeakPolarHBondContact O-CG 3.26Å; N269-K273 PolarHBondContact O-N 3.44Å
270	L	90.7	Very high	82.8	Confident	117 Å²	117	74 Å²	74	61%	0.613	41%	0.411	S	S	*	.	H	α-helix	trans	-59.4	-44.1	177.2	-178.9	62.9	0	0	0	112.1	D266 A267 T272 K273	D266-L270 WeakPolarHBondContact O-CB 3.33Å; D266-L270 PolarHBondContact O-N 3.49Å; A267-L270 PolarHBondContact O-N 3.19Å; L270-T272 VanDerWaalsContact C-N 3.28Å; L270-T272 PolarHBondContact O-N 3.07Å; L270-K273 HydrophobicContact CD1-CD 4.25Å
271	A	87.9	Confident	80.7	Confident	72 Å²	72	76.5 Å²	76.5	60%	0.595	42%	0.423	S	S	*	.	H	α-helix	trans	-68.4	-25.2	179.9	0	0	0	0	0	113.6	A267 F268 N269	A267-A271 WeakPolarHBondContact O-CB 3.49Å; A267-A271 PolarHBondContact O-N 3.23Å; F268-A271 PolarHBondContact O-N 3.01Å; N269-A271 VanDerWaalsContact C-N 3.34Å; N269-A271 PolarHBondContact O-N 3.07Å
272	T	84.8	Confident	78.2	Confident	17 Å²	17	80.5 Å²	80.5	10%	0.104	45%	0.447	C	S	.	.	H	α-helix	trans	-100.9	-14.5	-173.3	51.2	0	0	0	0	114.3	Y249 F268 N269 L270 N274 T275 V276	Y249-T272 HydrophobicContact CD2-CG2 3.71Å; Y249-T272 HydrophobicContact CE2-CG2 3.68Å; Y249-T272 WeakPolarHBondContact CE2-OG1 3.38Å; F268-T272 HydrophobicContact CD2-CG2 4.48Å; F268-T272 HydrophobicContact CE2-CG2 4.24Å; F268-T272 HydrophobicContact CZ-CG2 4.35Å; F268-T272 WeakPolarHBondContact O-CB 3.48Å; F268-T272 VanDerWaalsContact O-CG2 3.31Å; F268-T272 WeakPolarHBondContact O-CG2 3.39Å; F268-T272 PolarHBondContact O-N 3.01Å; F268-T272 VanDerWaalsContact O-N 3.14Å; F268-T272 PolarHBondContact O-OG1 3.08Å; N269-T272 WeakPolarHBondContact CA-OG1 3.31Å; N269-T272 PolarHBondContact O-N 3.31Å; N269-T272 PolarHBondContact O-OG1 3.07Å; L270-T272 VanDerWaalsContact C-N 3.28Å; L270-T272 PolarHBondContact O-N 3.07Å; T272-N274 PolarHBondContact O-N 3.39Å; T272-T275 WeakPolarHBondContact CA-OG1 3.46Å; T272-T275 PolarHBondContact O-N 3.38Å; T272-T275 PolarHBondContact O-OG1 3.38Å; T272-V276 HydrophobicContact CG2-CG2 4.18Å; T272-V276 PolarHBondContact O-N 2.93Å
273	K	80.2	Confident	75.7	Confident	146 Å²	146	87.5 Å²	87.5	64%	0.635	48%	0.48	S	S	*	.	T	Hydrogen-bonded Turn	trans	-44.3	-37.5	-178.9	-91.6	170.2	-167.6	-177.1	0	115.3	N269 L270	N269-K273 VanDerWaalsContact O-CG 3.31Å; N269-K273 WeakPolarHBondContact O-CG 3.26Å; N269-K273 PolarHBondContact O-N 3.44Å; L270-K273 HydrophobicContact CD1-CD 4.25Å
274	N	77.5	Confident	73.3	Confident	162 Å²	162	90.3 Å²	90.3	87%	0.866	49%	0.493	S	S	*	.	T	Hydrogen-bonded Turn	trans	-110.2	-1.1	-175.5	-63.5	-25.5	0	0	0	113.9	T272	T272-N274 PolarHBondContact O-N 3.39Å
275	T	74.9	Confident	70.9	Confident	105 Å²	105	92 Å²	92	64%	0.644	50%	0.499	S	S	*	.	T	Hydrogen-bonded Turn	trans	-113.1	-24.1	-172	55	0	0	0	0	113.4	T272	T272-T275 WeakPolarHBondContact CA-OG1 3.46Å; T272-T275 PolarHBondContact O-N 3.38Å; T272-T275 PolarHBondContact O-OG1 3.38Å
276	V	69.5	Low	68.7	Low	37 Å²	37	93.9 Å²	93.9	22%	0.224	52%	0.516	C	S	.	.	S	Bend	trans	-114.1	128	-176.8	-169.4	0	0	0	0	109.5	Y249 T272	Y249-V276 HydrophobicContact CD1-CG1 4.01Å; Y249-V276 HydrophobicContact CD2-CG2 4.5Å; Y249-V276 HydrophobicContact CG-CG1 4.11Å; Y249-V276 HydrophobicContact CG-CG2 4.36Å; T272-V276 HydrophobicContact CG2-CG2 4.18Å; T272-V276 PolarHBondContact O-N 2.93Å
277	P	64.8	Low	66.5	Low	82 Å²	82	94.4 Å²	94.4	53%	0.532	52%	0.517	S	S	.	.			trans	-53.8	146.5	169.6	-22.9	32.5	0	0	0	110.7	I279	P277-I279 PolarHBondContact O-N 2.87Å
278	P	59.9	Low	64.6	Low	109 Å²	109	93 Å²	93	71%	0.708	50%	0.502	S	S	*	.			trans	-49.9	129.4	176.6	-23.9	31.6	0	0	0	110.7	H280	P278-H280 PolarHBondContact O-N 2.65Å
279	I	55.2	Low	63.1	Low	38 Å²	38	93.6 Å²	93.6	20%	0.195	51%	0.505	C	S	.	.			trans	-70.6	104.4	174.6	-54	163.2	0	0	0	107.9	N246 Y249 K253 P277 I281	N246-I279 HydrophobicContact CB-CG1 4.08Å; Y249-I279 HydrophobicContact CD1-CD1 3.14Å; Y249-I279 HydrophobicContact CD1-CG1 3.49Å; Y249-I279 VanDerWaalsContact CD1-CG1 3.49Å; Y249-I279 HydrophobicContact CE1-CD1 3.34Å; Y249-I279 HydrophobicContact CE1-CG1 3.88Å; Y249-I279 HydrophobicContact CG-CD1 4.26Å; K253-I279 HydrophobicContact CD-CD1 4.47Å; P277-I279 PolarHBondContact O-N 2.87Å; I279-I281 VanDerWaalsContact C-N 3.25Å; I279-I281 HydrophobicContact CB-CD1 4.47Å; I279-I281 HydrophobicContact CG2-CB 4.15Å; I279-I281 HydrophobicContact CG2-CD1 3.51Å; I279-I281 HydrophobicContact CG2-CG1 3.38Å; I279-I281 PolarHBondContact O-N 2.94Å
280	H	50.7	Low	62	Low	158 Å²	158	96 Å²	96	73%	0.731	52%	0.518	S	S	*	.			trans	-80.5	83.1	154	-71.7	-81.7	0	0	0	106.8	P278 D282	P278-H280 PolarHBondContact O-N 2.65Å; H280-D282 PolarHBondContact O-N 3.16Å
281	I	50.2	Low	61.2	Low	53 Å²	53	91.3 Å²	91.3	27%	0.272	49%	0.494	S	S	.	.			trans	-66.1	114.9	157.2	-78.9	139.9	0	0	0	102.2	I279 Q283 N285	I279-I281 VanDerWaalsContact C-N 3.25Å; I279-I281 HydrophobicContact CB-CD1 4.47Å; I279-I281 HydrophobicContact CG2-CB 4.15Å; I279-I281 HydrophobicContact CG2-CD1 3.51Å; I279-I281 HydrophobicContact CG2-CG1 3.38Å; I279-I281 PolarHBondContact O-N 2.94Å; I281-Q283 PolarHBondContact O-N 3.5Å; I281-Q283 VanDerWaalsContact O-N 3.09Å; I281-N285 HydrophobicContact CG2-CB 3.49Å; I281-N285 VanDerWaalsContact CG2-CB 3.49Å
282	D	44	Very low	60.9	Low	125 Å²	125	88.3 Å²	88.3	67%	0.668	47%	0.468	S	S	*	.			trans	-42.9	125.6	174.9	-68.5	-45.3	0	0	0	107.9	H280 E284 N285	H280-D282 PolarHBondContact O-N 3.16Å; D282-E284 PolarHBondContact O-N 3.16Å; D282-N285 PolarHBondContact O-N 3.29Å
283	Q	44.4	Very low	60.8	Low	175 Å²	175	89.9 Å²	89.9	82%	0.818	48%	0.48	S	S	*	.	G	3₁₀ helix	trans	-54	-18	-168.1	-77.2	176.5	-11.1	0	0	113.4	I281 N285 A286	I281-Q283 PolarHBondContact O-N 3.5Å; I281-Q283 VanDerWaalsContact O-N 3.09Å; Q283-N285 PolarHBondContact O-N 2.92Å; Q283-A286 WeakPolarHBondContact O-CB 3.27Å; Q283-A286 PolarHBondContact O-N 3.16Å; Q283-A286 VanDerWaalsContact O-N 3.12Å
284	E	44.8	Very low	61.3	Low	171 Å²	171	85.5 Å²	85.5	80%	0.799	46%	0.46	S	S	*	.	G	3₁₀ helix	trans	-58	-29	170.7	-70.3	-168.7	154.8	0	0	113.5	D282 I287	D282-E284 PolarHBondContact O-N 3.16Å; E284-I287 WeakPolarHBondContact O-CD1 3.42Å
285	N	45.7	Very low	62.1	Low	115 Å²	115	78.6 Å²	78.6	62%	0.615	43%	0.425	S	S	*	.	G	3₁₀ helix	trans	-99.2	-6.3	175.3	-69.5	-38.2	0	0	0	113.6	I281 D282 Q283 I287 D288	I281-N285 HydrophobicContact CG2-CB 3.49Å; I281-N285 VanDerWaalsContact CG2-CB 3.49Å; D282-N285 PolarHBondContact O-N 3.29Å; Q283-N285 PolarHBondContact O-N 2.92Å; N285-I287 PolarHBondContact O-N 3.36Å; N285-D288 PolarHBondContact O-N 3.02Å
286	A	47.8	Very low	63	Low	46 Å²	46	75 Å²	75	38%	0.38	40%	0.402	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.3	-9.9	177.6	0	0	0	0	0	113.2	Q283 D288 E289	Q283-A286 WeakPolarHBondContact O-CB 3.27Å; Q283-A286 PolarHBondContact O-N 3.16Å; Q283-A286 VanDerWaalsContact O-N 3.12Å; A286-D288 PolarHBondContact O-N 3.49Å; A286-E289 PolarHBondContact O-N 3.3Å
287	I	48.4	Very low	64.3	Low	103 Å²	103	78 Å²	78	53%	0.528	41%	0.412	S	S	.	.	H	α-helix	trans	-57.8	-27.4	177.3	-56.1	175.8	0	0	0	111.6	E284 N285	E284-I287 WeakPolarHBondContact O-CD1 3.42Å; N285-I287 PolarHBondContact O-N 3.36Å
288	D	55.7	Low	65.8	Low	33 Å²	33	77.8 Å²	77.8	18%	0.176	40%	0.404	C	S	.	.	H	α-helix	trans	-90.9	-20.8	-174.8	-73.3	-12.5	0	0	0	115.1	N285 A286 D291 S292 H431	N285-D288 PolarHBondContact O-N 3.02Å; A286-D288 PolarHBondContact O-N 3.49Å; D288-D291 PolarHBondContact O-N 3.28Å; D288-S292 WeakPolarHBondContact O-CB 3.49Å; D288-S292 PolarHBondContact O-N 2.85Å; D288-S292 PolarHBondContact O-OG 3.25Å; D288-H431 IonicContact OD2-CE1 3.66Å; D288-H431 PolarHBondContact OD2-CE1 2.94Å; D288-H431 IonicContact OD2-NE2 2.86Å; D288-H431 PolarHBondContact OD2-NE2 2.93Å
289	E	58.2	Low	67.6	Low	63 Å²	63	72.7 Å²	72.7	29%	0.294	37%	0.37	S	S	.	.	H	α-helix	trans	-67.3	-38.5	179.7	-83.2	-159.9	179.3	0	0	111.1	K253 A286 S292 S293	K253-E289 IonicContact NZ-OE1 3.73Å; K253-E289 PolarHBondContact NZ-OE1 3.27Å; K253-E289 IonicContact NZ-OE2 3.5Å; K253-E289 PolarHBondContact NZ-OE2 3.41Å; A286-E289 PolarHBondContact O-N 3.3Å; E289-S292 PolarHBondContact O-N 3.16Å; E289-S293 VanDerWaalsContact O-CB 3.28Å; E289-S293 WeakPolarHBondContact O-CB 3.38Å; E289-S293 PolarHBondContact O-N 3.49Å; E289-S293 PolarHBondContact O-OG 2.97Å
290	D	66.6	Low	69.6	Low	88 Å²	88	72.3 Å²	72.3	47%	0.471	37%	0.367	S	S	.	.	H	α-helix	trans	-61.2	-47.1	177.2	-169.1	53.9	0	0	0	110.6	S292 S293 Y294 N418	D290-S292 PolarHBondContact O-N 3.07Å; D290-S293 PolarHBondContact O-N 3.19Å; D290-S293 PolarHBondContact O-OG 2.96Å; D290-Y294 PolarHBondContact O-N 3.39Å; D290-N418 PolarHBondContact OD2-ND2 2.66Å; D290-N418 VanDerWaalsContact OD2-ND2 3.14Å
291	D	74.4	Confident	71.9	Confident	20 Å²	20	68 Å²	68	11%	0.107	35%	0.349	C	S	.	.	H	α-helix	trans	-64	-42.2	178.8	-172	46.2	0	0	0	112.5	D288 S293 Y294 L413 N416 K419	D288-D291 PolarHBondContact O-N 3.28Å; D291-S293 VanDerWaalsContact C-N 3.26Å; D291-S293 PolarHBondContact O-N 3.05Å; D291-Y294 WeakPolarHBondContact O-CB 3.48Å; D291-Y294 PolarHBondContact O-N 3.11Å; D291-L413 WeakPolarHBondContact O-CD2 3.45Å; D291-N416 WeakPolarHBondContact CA-ND2 3.49Å; D291-N416 PolarHBondContact OD1-ND2 2.85Å; D291-K419 IonicContact OD1-NZ 3.94Å; D291-K419 PolarHBondContact OD1-NZ 3.06Å; D291-K419 WeakPolarHBondContact OD2-CE 3.48Å; D291-K419 IonicContact OD2-NZ 3.71Å; D291-K419 PolarHBondContact OD2-NZ 2.81Å
292	S	80.5	Confident	74.2	Confident	8 Å²	8	65.5 Å²	65.5	6%	0.056	34%	0.337	C	S	.	.	H	α-helix	trans	-73.5	-17.9	179.1	-56.9	0	0	0	0	113.2	D288 E289 D290 R299	D288-S292 WeakPolarHBondContact O-CB 3.49Å; D288-S292 PolarHBondContact O-N 2.85Å; D288-S292 PolarHBondContact O-OG 3.25Å; E289-S292 PolarHBondContact O-N 3.16Å; D290-S292 PolarHBondContact O-N 3.07Å; S292-R299 PolarHBondContact O-NH2 3.17Å
293	S	84.5	Confident	76.7	Confident	50 Å²	50	60 Å²	60	35%	0.35	31%	0.306	S	S	.	.	H	α-helix	trans	-87.7	-16.1	176.3	78.6	0	0	0	0	113.2	E289 D290 D291 A295 L296	E289-S293 VanDerWaalsContact O-CB 3.28Å; E289-S293 WeakPolarHBondContact O-CB 3.38Å; E289-S293 PolarHBondContact O-N 3.49Å; E289-S293 PolarHBondContact O-OG 2.97Å; D290-S293 PolarHBondContact O-N 3.19Å; D290-S293 PolarHBondContact O-OG 2.96Å; D291-S293 VanDerWaalsContact C-N 3.26Å; D291-S293 PolarHBondContact O-N 3.05Å; S293-A295 PolarHBondContact O-N 2.74Å; S293-L296 WeakPolarHBondContact O-CB 3.48Å; S293-L296 PolarHBondContact O-N 3.21Å; S293-L296 VanDerWaalsContact O-N 3.16Å
294	Y	90.4	Very high	79.3	Confident	55 Å²	55	55 Å²	55	22%	0.216	28%	0.283	C	S	.	.	T	Hydrogen-bonded Turn	trans	-51.5	130.2	-179.6	174.1	-106.9	0	0	0	111.4	D290 D291 L296 R299 I412 T415 N416	D290-Y294 PolarHBondContact O-N 3.39Å; D291-Y294 WeakPolarHBondContact O-CB 3.48Å; D291-Y294 PolarHBondContact O-N 3.11Å; Y294-L296 PolarHBondContact O-N 2.86Å; Y294-R299 PolarHBondContact O-NE 3.36Å; Y294-R299 PolarHBondContact O-NH2 2.77Å; Y294-I412 HydrophobicContact CE1-CG2 4.15Å; Y294-I412 WeakPolarHBondContact CE1-O 3.34Å; Y294-T415 WeakPolarHBondContact CE1-OG1 3.14Å; Y294-T415 PolarHBondContact OH-O 3.46Å; Y294-T415 PolarHBondContact OH-OG1 2.7Å; Y294-N416 HydrophobicContact CD1-CB 3.72Å; Y294-N416 HydrophobicContact CD2-CB 4.16Å; Y294-N416 HydrophobicContact CE1-CB 4.03Å; Y294-N416 HydrophobicContact CE2-CB 4.46Å; Y294-N416 HydrophobicContact CG-CB 3.78Å
295	A	93.3	Very high	81.8	Confident	16 Å²	16	48.2 Å²	48.2	13%	0.132	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	51.3	29.9	177	0	0	0	0	0	114.9	S293 K297 Q298 R299 Y322 I412	S293-A295 PolarHBondContact O-N 2.74Å; A295-K297 VanDerWaalsContact C-N 3.3Å; A295-K297 PolarHBondContact O-N 3.14Å; A295-Q298 HydrophobicContact CB-CB 4.43Å; A295-Q298 PolarHBondContact O-N 2.92Å; A295-Q298 VanDerWaalsContact O-N 3.13Å; A295-Q298 PolarHBondContact O-OE1 3.44Å; A295-R299 HydrophobicContact CB-CG 4.38Å; A295-R299 WeakPolarHBondContact O-CB 3.41Å; A295-R299 WeakPolarHBondContact O-CG 3.18Å; A295-R299 PolarHBondContact O-N 3.29Å; A295-Y322 WeakPolarHBondContact CB-OH 3.38Å; A295-I412 HydrophobicContact CB-CG2 3.94Å
296	L	94.2	Very high	84.4	Confident	31 Å²	31	42.8 Å²	42.8	16%	0.162	22%	0.223	C	C	.	.	H	α-helix	trans	-52.5	-45.1	-172.5	-179.7	61.1	0	0	0	112.9	L257 E262 L265 S293 Y294 R299 K300	L257-L296 HydrophobicContact CD2-CD2 3.98Å; E262-L296 HydrophobicContact CB-CD1 4.36Å; E262-L296 HydrophobicContact CB-CD2 4.44Å; E262-L296 HydrophobicContact CB-CG 4.14Å; E262-L296 HydrophobicContact CG-CD2 4.19Å; E262-L296 HydrophobicContact CG-CG 4.22Å; L265-L296 HydrophobicContact CD2-CD2 4.21Å; S293-L296 WeakPolarHBondContact O-CB 3.48Å; S293-L296 PolarHBondContact O-N 3.21Å; S293-L296 VanDerWaalsContact O-N 3.16Å; Y294-L296 PolarHBondContact O-N 2.86Å; L296-R299 PolarHBondContact O-N 2.96Å; L296-K300 WeakPolarHBondContact O-CB 3.48Å; L296-K300 PolarHBondContact O-N 2.96Å
297	K	95.8	Very high	86.7	Confident	99 Å²	99	45 Å²	45	43%	0.43	22%	0.222	S	C	.	.	H	α-helix	trans	-64	-45.7	-179.6	-171.3	68	-175.6	-180	0	112.2	E262 A295 K300 N301	E262-K297 WeakPolarHBondContact OE1-CD 3.49Å; E262-K297 IonicContact OE1-NZ 3.44Å; E262-K297 WeakPolarHBondContact OE2-CD 3.35Å; E262-K297 IonicContact OE2-NZ 2.73Å; E262-K297 PolarHBondContact OE2-NZ 3.3Å; A295-K297 VanDerWaalsContact C-N 3.3Å; A295-K297 PolarHBondContact O-N 3.14Å; K297-K300 PolarHBondContact O-N 3.45Å; K297-N301 VanDerWaalsContact O-CG 3.28Å; K297-N301 PolarHBondContact O-N 3.43Å; K297-N301 PolarHBondContact O-ND2 3.43Å
298	Q	97.1	Very high	89.1	Confident	78 Å²	78	44 Å²	44	36%	0.364	22%	0.217	S	C	.	.	H	α-helix	trans	-65.5	-44.3	178.6	-63.1	84.5	-11.9	0	0	110.9	A295 K300 N301 L302 L321 Y322	A295-Q298 HydrophobicContact CB-CB 4.43Å; A295-Q298 PolarHBondContact O-N 2.92Å; A295-Q298 VanDerWaalsContact O-N 3.13Å; A295-Q298 PolarHBondContact O-OE1 3.44Å; Q298-K300 PolarHBondContact O-N 2.82Å; Q298-N301 PolarHBondContact O-N 3.15Å; Q298-L302 PolarHBondContact O-N 2.97Å; Q298-L321 HydrophobicContact CB-CD1 4.38Å; Q298-L321 HydrophobicContact CG-CD1 3.99Å; Q298-Y322 HydrophobicContact CB-CE2 4.35Å; Q298-Y322 WeakPolarHBondContact CB-OH 3.29Å
299	R	97.1	Very high	91.1	Very high	2 Å²	2	43.1 Å²	43.1	1%	0.008	22%	0.216	C	C	.	.	H	α-helix	trans	-60.7	-43.1	176.3	-71.6	-171.4	-59.6	113.5	-2.2	111.8	L257 H258 S292 Y294 A295 L296 N301 L302 R303 N409 I412	L257-R299 PolarHBondContact O-NH1 3.33Å; L257-R299 PolarHBondContact O-NH2 2.99Å; H258-R299 PolarHBondContact O-NH1 2.92Å; S292-R299 PolarHBondContact O-NH2 3.17Å; Y294-R299 PolarHBondContact O-NE 3.36Å; Y294-R299 PolarHBondContact O-NH2 2.77Å; A295-R299 HydrophobicContact CB-CG 4.38Å; A295-R299 WeakPolarHBondContact O-CB 3.41Å; A295-R299 WeakPolarHBondContact O-CG 3.18Å; A295-R299 PolarHBondContact O-N 3.29Å; L296-R299 PolarHBondContact O-N 2.96Å; R299-N301 PolarHBondContact O-N 3.37Å; R299-L302 PolarHBondContact O-N 3.37Å; R299-R303 WeakPolarHBondContact O-CB 3.38Å; R299-R303 PolarHBondContact O-N 2.93Å; R299-N409 WeakPolarHBondContact CD-OD1 3.4Å; R299-N409 PolarHBondContact NH1-OD1 2.75Å; R299-I412 HydrophobicContact CG-CB 3.94Å; R299-I412 HydrophobicContact CG-CD1 3.85Å; R299-I412 HydrophobicContact CG-CG2 3.59Å
300	K	97.6	Very high	93	Very high	29 Å²	29	44.1 Å²	44.1	13%	0.126	22%	0.221	C	C	.	.	H	α-helix	trans	-58	-48.8	173.7	-179.9	-94.6	-176.7	-177.5	0	111.8	G260 E262 E263 L296 K297 Q298 R303 Q304	G260-K300 WeakPolarHBondContact O-CA 3.17Å; G260-K300 WeakPolarHBondContact O-CB 3.43Å; E262-K300 HydrophobicContact CB-CB 3.95Å; E262-K300 HydrophobicContact CB-CG 3.92Å; E263-K300 WeakPolarHBondContact OE1-CE 3.5Å; E263-K300 IonicContact OE1-NZ 2.87Å; E263-K300 PolarHBondContact OE1-NZ 3.5Å; E263-K300 IonicContact OE2-NZ 3.86Å; L296-K300 WeakPolarHBondContact O-CB 3.48Å; L296-K300 PolarHBondContact O-N 2.96Å; K297-K300 PolarHBondContact O-N 3.45Å; Q298-K300 PolarHBondContact O-N 2.82Å; K300-R303 PolarHBondContact O-N 3.3Å; K300-Q304 PolarHBondContact O-N 3.26Å
301	N	98.3	Very high	94.5	Very high	67 Å²	67	40 Å²	40	36%	0.358	20%	0.199	S	C	.	.	H	α-helix	trans	-63.2	-46	-178.4	-70	-15.8	0	0	0	111.5	K297 Q298 R299 Q304 L305	K297-N301 VanDerWaalsContact O-CG 3.28Å; K297-N301 PolarHBondContact O-N 3.43Å; K297-N301 PolarHBondContact O-ND2 3.43Å; Q298-N301 PolarHBondContact O-N 3.15Å; R299-N301 PolarHBondContact O-N 3.37Å; N301-Q304 WeakPolarHBondContact O-CB 3.4Å; N301-Q304 PolarHBondContact O-N 3.26Å; N301-L305 WeakPolarHBondContact O-CG 3.42Å; N301-L305 PolarHBondContact O-N 3.44Å
302	L	98.5	Very high	95.6	Very high	2 Å²	2	42.9 Å²	42.9	1%	0.01	21%	0.214	C	C	.	.	H	α-helix	trans	-64.3	-41.8	177.7	-77.1	166.2	0	0	0	112.2	Q298 R299 Q304 L305 V306 A314 E317 L318 Y322 V408 I412	Q298-L302 PolarHBondContact O-N 2.97Å; R299-L302 PolarHBondContact O-N 3.37Å; L302-Q304 VanDerWaalsContact C-N 3.3Å; L302-Q304 PolarHBondContact O-N 3.05Å; L302-L305 HydrophobicContact CD2-CD1 4.41Å; L302-L305 PolarHBondContact O-N 3.03Å; L302-V306 WeakPolarHBondContact O-CG2 3.05Å; L302-V306 PolarHBondContact O-N 3.31Å; L302-A314 HydrophobicContact CD2-CB 4.34Å; L302-E317 HydrophobicContact CD2-CB 3.97Å; L302-E317 HydrophobicContact CD2-CG 4.12Å; L302-L318 HydrophobicContact CD1-CD2 3.79Å; L302-L318 HydrophobicContact CD1-CG 4.18Å; L302-L318 HydrophobicContact CD2-CD2 4.46Å; L302-L318 HydrophobicContact CD2-CG 3.94Å; L302-Y322 HydrophobicContact CD1-CD2 4.43Å; L302-Y322 HydrophobicContact CD1-CE2 4.22Å; L302-V408 HydrophobicContact CB-CG1 4.34Å; L302-I412 HydrophobicContact CB-CD1 4.49Å; L302-I412 HydrophobicContact CD1-CD1 3.46Å; L302-I412 VanDerWaalsContact CD1-CD1 3.46Å
303	R	97.8	Very high	96.5	Very high	9 Å²	9	45.9 Å²	45.9	3%	0.034	23%	0.232	C	C	.	.	H	α-helix	trans	-57.1	-44.2	171.6	170.6	171.5	-61.8	-79.2	1.2	111.5	Y259 R299 K300 V306 R307 A405 D406	Y259-R303 VanDerWaalsContact O-CZ 3.29Å; Y259-R303 PolarHBondContact O-NE 2.92Å; Y259-R303 PolarHBondContact O-NH2 2.6Å; R299-R303 WeakPolarHBondContact O-CB 3.38Å; R299-R303 PolarHBondContact O-N 2.93Å; K300-R303 PolarHBondContact O-N 3.3Å; R303-V306 PolarHBondContact O-N 3.3Å; R303-R307 HydrophobicContact CG-CG 4.17Å; R303-R307 WeakPolarHBondContact O-CB 3.43Å; R303-R307 VanDerWaalsContact O-CG 3.28Å; R303-R307 WeakPolarHBondContact O-CG 3.2Å; R303-R307 PolarHBondContact O-N 2.9Å; R303-A405 HydrophobicContact CB-CB 4.39Å; R303-A405 HydrophobicContact CG-CB 4.01Å; R303-A405 VanDerWaalsContact NH1-CB 3.33Å; R303-D406 IonicContact CZ-OD1 2.66Å; R303-D406 IonicContact NH1-OD1 3.05Å; R303-D406 PolarHBondContact NH1-OD1 3.29Å; R303-D406 IonicContact NH2-OD1 2.64Å; R303-D406 PolarHBondContact NH2-OD1 3.31Å
304	Q	98.3	Very high	97.2	Very high	69 Å²	69	43.5 Å²	43.5	32%	0.322	22%	0.216	S	C	.	.	H	α-helix	trans	-62.2	-44.9	179.4	-171.8	65.1	49.3	0	0	111.5	K300 N301 L302 V306 R307 N308	K300-Q304 PolarHBondContact O-N 3.26Å; N301-Q304 WeakPolarHBondContact O-CB 3.4Å; N301-Q304 PolarHBondContact O-N 3.26Å; L302-Q304 VanDerWaalsContact C-N 3.3Å; L302-Q304 PolarHBondContact O-N 3.05Å; Q304-V306 PolarHBondContact O-N 2.75Å; Q304-R307 PolarHBondContact O-N 2.79Å; Q304-N308 PolarHBondContact NE2-OD1 3.35Å; Q304-N308 WeakPolarHBondContact O-CB 3.38Å; Q304-N308 PolarHBondContact O-N 2.69Å; Q304-N308 PolarHBondContact O-OD1 3.25Å
305	L	98.7	Very high	97.5	Very high	29 Å²	29	42.5 Å²	42.5	15%	0.152	21%	0.213	C	C	.	.	H	α-helix	trans	-59	-47.1	176.9	-68.2	171.5	0	0	0	111.4	N301 L302 N308 G309 E310 T313 A314	N301-L305 WeakPolarHBondContact O-CG 3.42Å; N301-L305 PolarHBondContact O-N 3.44Å; L302-L305 HydrophobicContact CD2-CD1 4.41Å; L302-L305 PolarHBondContact O-N 3.03Å; L305-N308 PolarHBondContact O-N 3.45Å; L305-G309 PolarHBondContact O-N 3.25Å; L305-E310 HydrophobicContact CB-CB 4.36Å; L305-E310 HydrophobicContact CD2-CB 3.99Å; L305-E310 PolarHBondContact O-N 3.27Å; L305-T313 HydrophobicContact CD1-CG2 3.95Å; L305-T313 HydrophobicContact CD2-CG2 3.83Å; L305-A314 HydrophobicContact CB-CB 3.97Å; L305-A314 HydrophobicContact CD1-CB 4.41Å
306	V	98.6	Very high	97.8	Very high	1 Å²	1	44.8 Å²	44.8	1%	0.006	23%	0.232	C	C	.	.	H	α-helix	trans	-64.4	-43.9	178.2	177	0	0	0	0	111.8	L302 R303 Q304 N308 G309 I311 A314 L337 R401 V404 A405 V408	L302-V306 WeakPolarHBondContact O-CG2 3.05Å; L302-V306 PolarHBondContact O-N 3.31Å; R303-V306 PolarHBondContact O-N 3.3Å; Q304-V306 PolarHBondContact O-N 2.75Å; V306-N308 VanDerWaalsContact C-N 3.26Å; V306-N308 PolarHBondContact O-N 3.5Å; V306-G309 PolarHBondContact O-N 3.1Å; V306-I311 HydrophobicContact CB-CD1 4.41Å; V306-I311 HydrophobicContact CG1-CD1 4.18Å; V306-I311 HydrophobicContact CG2-CD1 4.4Å; V306-A314 HydrophobicContact CG2-CB 4.08Å; V306-L337 HydrophobicContact CG2-CD2 4.19Å; V306-R401 WeakPolarHBondContact CG1-O 3.31Å; V306-V404 HydrophobicContact CG1-CB 3.91Å; V306-V404 HydrophobicContact CG1-CG1 3.79Å; V306-A405 HydrophobicContact CB-CB 4.03Å; V306-A405 HydrophobicContact CG1-CB 3.88Å; V306-V408 HydrophobicContact CG2-CG2 4.45Å
307	R	97.3	Very high	98	Very high	94 Å²	94	46.2 Å²	46.2	36%	0.355	24%	0.238	S	C	.	.	H	α-helix	trans	-63.7	-30.7	176.8	-72	-177.9	83.6	-162.7	9.3	113	R303 Q304 G309 R401 E402 A405	R303-R307 HydrophobicContact CG-CG 4.17Å; R303-R307 WeakPolarHBondContact O-CB 3.43Å; R303-R307 VanDerWaalsContact O-CG 3.28Å; R303-R307 WeakPolarHBondContact O-CG 3.2Å; R303-R307 PolarHBondContact O-N 2.9Å; Q304-R307 PolarHBondContact O-N 2.79Å; R307-G309 VanDerWaalsContact C-N 3.29Å; R307-R401 VanDerWaalsContact O-CD 3.27Å; R307-R401 WeakPolarHBondContact O-CD 3.06Å; R307-E402 IonicContact CZ-OE1 2.74Å; R307-E402 IonicContact NE-OE1 2.97Å; R307-E402 IonicContact NH2-OE1 3.75Å; R307-E402 PolarHBondContact NH2-OE1 3.42Å; R307-A405 HydrophobicContact CG-CB 4.46Å
308	N	97.5	Very high	98.1	Very high	81 Å²	81	41.5 Å²	41.5	43%	0.433	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.2	-8.4	174.6	-70.4	-3	0	0	0	113.4	Q304 L305 V306 E310	Q304-N308 PolarHBondContact NE2-OD1 3.35Å; Q304-N308 WeakPolarHBondContact O-CB 3.38Å; Q304-N308 PolarHBondContact O-N 2.69Å; Q304-N308 PolarHBondContact O-OD1 3.25Å; L305-N308 PolarHBondContact O-N 3.45Å; V306-N308 VanDerWaalsContact C-N 3.26Å; V306-N308 PolarHBondContact O-N 3.5Å; N308-E310 VanDerWaalsContact C-N 3.3Å; N308-E310 HydrophobicContact CB-CG 3.97Å; N308-E310 WeakPolarHBondContact CB-OE1 3.49Å; N308-E310 PolarHBondContact ND2-OE1 2.72Å
309	G	97.8	Very high	98.1	Very high	14 Å²	14	42.8 Å²	42.8	14%	0.144	22%	0.224	C	C	.	.	T	Hydrogen-bonded Turn	trans	76.7	11.8	-172.3	0	0	0	0	0	114.2	L305 V306 R307 I311	L305-G309 PolarHBondContact O-N 3.25Å; V306-G309 PolarHBondContact O-N 3.1Å; R307-G309 VanDerWaalsContact C-N 3.29Å; G309-I311 PolarHBondContact O-N 3.37Å
310	E	98.4	Very high	98.1	Very high	85 Å²	85	49.9 Å²	49.9	40%	0.397	26%	0.255	S	S	.	.			trans	-81.9	57.9	179.5	-63.9	179.8	-108.6	0	0	111.4	L305 N308 D312 T313 A314	L305-E310 HydrophobicContact CB-CB 4.36Å; L305-E310 HydrophobicContact CD2-CB 3.99Å; L305-E310 PolarHBondContact O-N 3.27Å; N308-E310 VanDerWaalsContact C-N 3.3Å; N308-E310 HydrophobicContact CB-CG 3.97Å; N308-E310 WeakPolarHBondContact CB-OE1 3.49Å; N308-E310 PolarHBondContact ND2-OE1 2.72Å; E310-D312 PolarHBondContact O-N 3.13Å; E310-T313 PolarHBondContact O-N 3.39Å; E310-A314 PolarHBondContact O-N 3.28Å
311	I	98.4	Very high	98.1	Very high	1 Å²	1	51.5 Å²	51.5	1%	0.005	27%	0.265	C	S	.	.	H	α-helix	trans	-68.8	-35.4	-167.9	-52.5	-54.7	0	0	0	113.3	V306 G309 T313 A314 L315 L337 Q340 K341 E344	V306-I311 HydrophobicContact CB-CD1 4.41Å; V306-I311 HydrophobicContact CG1-CD1 4.18Å; V306-I311 HydrophobicContact CG2-CD1 4.4Å; G309-I311 PolarHBondContact O-N 3.37Å; I311-T313 VanDerWaalsContact C-N 3.34Å; I311-T313 PolarHBondContact O-N 3.44Å; I311-A314 WeakPolarHBondContact O-CB 3.34Å; I311-A314 PolarHBondContact O-N 3.07Å; I311-L315 HydrophobicContact CG2-CD1 4.18Å; I311-L315 HydrophobicContact CG2-CG 4.44Å; I311-L315 WeakPolarHBondContact O-CB 3.42Å; I311-L315 PolarHBondContact O-N 3.24Å; I311-L337 HydrophobicContact CG2-CB 4.25Å; I311-L337 HydrophobicContact CG2-CD2 4.06Å; I311-L337 WeakPolarHBondContact CG2-O 3.26Å; I311-Q340 HydrophobicContact CD1-CB 4.04Å; I311-Q340 HydrophobicContact CD1-CG 3.61Å; I311-Q340 HydrophobicContact CG1-CB 4.13Å; I311-Q340 HydrophobicContact CG1-CG 3.93Å; I311-K341 HydrophobicContact CB-CB 3.97Å; I311-K341 HydrophobicContact CB-CD 4.28Å; I311-K341 HydrophobicContact CG1-CB 4.39Å; I311-K341 HydrophobicContact CG2-CB 3.84Å; I311-E344 HydrophobicContact CG1-CG 4.29Å
312	D	98.1	Very high	98	Very high	80 Å²	80	49 Å²	49	43%	0.428	25%	0.25	S	S	.	.	H	α-helix	trans	-64.5	-42.2	177.7	-57.3	-35.7	0	0	0	111.1	E310 A314 L315 A316 K341	E310-D312 PolarHBondContact O-N 3.13Å; D312-A314 VanDerWaalsContact C-N 3.33Å; D312-L315 PolarHBondContact O-N 3.04Å; D312-A316 WeakPolarHBondContact O-CB 3.04Å; D312-A316 PolarHBondContact O-N 3.1Å; D312-K341 WeakPolarHBondContact OD1-CD 3.3Å; D312-K341 VanDerWaalsContact OD1-CE 3.22Å; D312-K341 WeakPolarHBondContact OD1-CE 3.46Å; D312-K341 IonicContact OD1-NZ 2.75Å; D312-K341 WeakPolarHBondContact OD2-CE 3.27Å; D312-K341 IonicContact OD2-NZ 3.89Å; D312-K341 PolarHBondContact OD2-NZ 2.75Å
313	T	98.7	Very high	97.9	Very high	72 Å²	72	51.7 Å²	51.7	44%	0.442	27%	0.268	S	S	.	.	H	α-helix	trans	-63.2	-41.7	174.9	-48.9	0	0	0	0	110.5	L305 E310 I311 A316 E317	L305-T313 HydrophobicContact CD1-CG2 3.95Å; L305-T313 HydrophobicContact CD2-CG2 3.83Å; E310-T313 PolarHBondContact O-N 3.39Å; I311-T313 VanDerWaalsContact C-N 3.34Å; I311-T313 PolarHBondContact O-N 3.44Å; T313-A316 PolarHBondContact O-N 3.25Å; T313-E317 WeakPolarHBondContact O-CB 3.4Å; T313-E317 PolarHBondContact O-N 3.28Å
314	A	98.6	Very high	97.7	Very high	0 Å²	0	55.8 Å²	55.8	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-62.6	-44	176.1	0	0	0	0	0	112.3	L302 L305 V306 E310 I311 D312 E317 L318	L302-A314 HydrophobicContact CD2-CB 4.34Å; L305-A314 HydrophobicContact CB-CB 3.97Å; L305-A314 HydrophobicContact CD1-CB 4.41Å; V306-A314 HydrophobicContact CG2-CB 4.08Å; E310-A314 PolarHBondContact O-N 3.28Å; I311-A314 WeakPolarHBondContact O-CB 3.34Å; I311-A314 PolarHBondContact O-N 3.07Å; D312-A314 VanDerWaalsContact C-N 3.33Å; A314-E317 PolarHBondContact O-N 2.95Å; A314-L318 WeakPolarHBondContact O-CB 3.34Å; A314-L318 WeakPolarHBondContact O-CG 3.12Å; A314-L318 PolarHBondContact O-N 3.45Å
315	L	98	Very high	97.4	Very high	33 Å²	33	53.3 Å²	53.3	17%	0.173	28%	0.276	C	S	.	.	H	α-helix	trans	-62.5	-45.4	176.1	-81.2	166.5	0	0	0	111.8	I311 D312 E317 L318 Q319 L337	I311-L315 HydrophobicContact CG2-CD1 4.18Å; I311-L315 HydrophobicContact CG2-CG 4.44Å; I311-L315 WeakPolarHBondContact O-CB 3.42Å; I311-L315 PolarHBondContact O-N 3.24Å; D312-L315 PolarHBondContact O-N 3.04Å; L315-E317 VanDerWaalsContact C-N 3.34Å; L315-E317 PolarHBondContact O-N 3.25Å; L315-L318 PolarHBondContact O-N 2.81Å; L315-Q319 WeakPolarHBondContact O-CB 3.23Å; L315-Q319 PolarHBondContact O-N 3.41Å; L315-L337 HydrophobicContact CD2-CB 4.12Å; L315-L337 HydrophobicContact CD2-CD1 3.7Å; L315-L337 HydrophobicContact CD2-CG 4.48Å; L315-L337 HydrophobicContact CG-CB 4.44Å; L315-L337 HydrophobicContact CG-CD1 4.36Å
316	A	98.3	Very high	97.1	Very high	64 Å²	64	52.7 Å²	52.7	53%	0.529	27%	0.273	S	S	.	.	H	α-helix	trans	-61.9	-42.5	177.7	0	0	0	0	0	112	D312 T313 Q319 K320	D312-A316 WeakPolarHBondContact O-CB 3.04Å; D312-A316 PolarHBondContact O-N 3.1Å; T313-A316 PolarHBondContact O-N 3.25Å; A316-Q319 PolarHBondContact O-N 2.87Å; A316-K320 WeakPolarHBondContact O-CB 3.31Å; A316-K320 PolarHBondContact O-N 3.31Å; A316-K320 VanDerWaalsContact O-N 3.09Å
317	E	98.4	Very high	96.9	Very high	62 Å²	62	60.4 Å²	60.4	29%	0.29	31%	0.309	S	S	.	.	H	α-helix	trans	-69.7	-38.6	178	-168.7	71	178.7	0	0	111.6	L302 T313 A314 L315 K320 L321	L302-E317 HydrophobicContact CD2-CB 3.97Å; L302-E317 HydrophobicContact CD2-CG 4.12Å; T313-E317 WeakPolarHBondContact O-CB 3.4Å; T313-E317 PolarHBondContact O-N 3.28Å; A314-E317 PolarHBondContact O-N 2.95Å; L315-E317 VanDerWaalsContact C-N 3.34Å; L315-E317 PolarHBondContact O-N 3.25Å; E317-K320 PolarHBondContact O-N 2.85Å; E317-K320 IonicContact OE2-NZ 3.96Å; E317-L321 HydrophobicContact CG-CD1 3.88Å; E317-L321 HydrophobicContact CG-CG 4.34Å; E317-L321 WeakPolarHBondContact O-CB 3.09Å; E317-L321 WeakPolarHBondContact O-CG 3.29Å; E317-L321 PolarHBondContact O-N 3.06Å; E317-L321 WeakPolarHBondContact OE1-CD1 3.14Å
318	L	98	Very high	96.6	Very high	0 Å²	0	60.2 Å²	60.2	0%	0	32%	0.316	C	S	.	.	H	α-helix	trans	-62.3	-46.8	172.2	-82.2	169.3	0	0	0	112.1	L302 A314 L315 K320 L321 Y322 I325 V326 L337 V408 I412	L302-L318 HydrophobicContact CD1-CD2 3.79Å; L302-L318 HydrophobicContact CD1-CG 4.18Å; L302-L318 HydrophobicContact CD2-CD2 4.46Å; L302-L318 HydrophobicContact CD2-CG 3.94Å; A314-L318 WeakPolarHBondContact O-CB 3.34Å; A314-L318 WeakPolarHBondContact O-CG 3.12Å; A314-L318 PolarHBondContact O-N 3.45Å; L315-L318 PolarHBondContact O-N 2.81Å; L318-K320 PolarHBondContact O-N 3.24Å; L318-L321 PolarHBondContact O-N 2.98Å; L318-Y322 HydrophobicContact CD2-CD2 4.18Å; L318-Y322 CarbonylContact O-C 3.57Å; L318-Y322 WeakPolarHBondContact O-CA 3.33Å; L318-Y322 PolarHBondContact O-N 3.45Å; L318-I325 HydrophobicContact CD2-CD1 4.3Å; L318-V326 HydrophobicContact CB-CG1 3.99Å; L318-V326 HydrophobicContact CD1-CG1 4.45Å; L318-L337 HydrophobicContact CD1-CD1 3.59Å; L318-V408 HydrophobicContact CD1-CG1 4.05Å; L318-V408 HydrophobicContact CD1-CG2 4.39Å; L318-V408 HydrophobicContact CD2-CG1 4.1Å; L318-I412 HydrophobicContact CD2-CD1 4.35Å; L318-I412 HydrophobicContact CD2-CG1 4.32Å
319	Q	97.5	Very high	96.3	Very high	105 Å²	105	59.5 Å²	59.5	49%	0.491	31%	0.311	S	S	.	.	H	α-helix	trans	-59.8	-35.1	177.8	-178.4	60.1	77.1	0	0	112.2	L315 A316 V326	L315-Q319 WeakPolarHBondContact O-CB 3.23Å; L315-Q319 PolarHBondContact O-N 3.41Å; A316-Q319 PolarHBondContact O-N 2.87Å; Q319-V326 HydrophobicContact CB-CG2 4.02Å; Q319-V326 HydrophobicContact CG-CG2 4.45Å; Q319-V326 VanDerWaalsContact OE1-CG2 3.27Å
320	K	97.8	Very high	96	Very high	151 Å²	151	63.5 Å²	63.5	66%	0.657	33%	0.325	S	S	*	.	H	α-helix	trans	-75.6	-46.6	178.6	178.3	-174.6	170.1	-165.1	0	112.8	A316 E317 L318	A316-K320 WeakPolarHBondContact O-CB 3.31Å; A316-K320 PolarHBondContact O-N 3.31Å; A316-K320 VanDerWaalsContact O-N 3.09Å; E317-K320 PolarHBondContact O-N 2.85Å; E317-K320 IonicContact OE2-NZ 3.96Å; L318-K320 PolarHBondContact O-N 3.24Å
321	L	96.8	Very high	95.7	Very high	63 Å²	63	60 Å²	60	33%	0.33	31%	0.31	S	S	.	.	H	α-helix	trans	-92.6	-33.5	-171.2	-62.7	-176.1	0	0	0	113.6	Q298 E317 L318	Q298-L321 HydrophobicContact CB-CD1 4.38Å; Q298-L321 HydrophobicContact CG-CD1 3.99Å; E317-L321 HydrophobicContact CG-CD1 3.88Å; E317-L321 HydrophobicContact CG-CG 4.34Å; E317-L321 WeakPolarHBondContact O-CB 3.09Å; E317-L321 WeakPolarHBondContact O-CG 3.29Å; E317-L321 PolarHBondContact O-N 3.06Å; E317-L321 WeakPolarHBondContact OE1-CD1 3.14Å; L318-L321 PolarHBondContact O-N 2.98Å
322	Y	95.8	Very high	95.5	Very high	14 Å²	14	60.1 Å²	60.1	6%	0.055	31%	0.311	C	S	.	.			trans	-138.1	59.6	-174.4	-52.2	-78.6	0	0	0	110.8	A295 Q298 L302 L318 Q324 I325 I412	A295-Y322 WeakPolarHBondContact CB-OH 3.38Å; Q298-Y322 HydrophobicContact CB-CE2 4.35Å; Q298-Y322 WeakPolarHBondContact CB-OH 3.29Å; L302-Y322 HydrophobicContact CD1-CD2 4.43Å; L302-Y322 HydrophobicContact CD1-CE2 4.22Å; L318-Y322 HydrophobicContact CD2-CD2 4.18Å; L318-Y322 CarbonylContact O-C 3.57Å; L318-Y322 WeakPolarHBondContact O-CA 3.33Å; L318-Y322 PolarHBondContact O-N 3.45Å; Y322-Q324 PolarHBondContact O-N 3.15Å; Y322-I325 VanDerWaalsContact CB-CD1 3.5Å; Y322-I325 HydrophobicContact CG-CD1 3.97Å; Y322-I325 WeakPolarHBondContact O-CB 3.29Å; Y322-I325 PolarHBondContact O-N 2.9Å; Y322-I412 HydrophobicContact CD1-CG2 4.45Å; Y322-I412 HydrophobicContact CD2-CG1 4.12Å; Y322-I412 HydrophobicContact CE1-CG2 3.9Å; Y322-I412 HydrophobicContact CE2-CD1 4.34Å; Y322-I412 HydrophobicContact CE2-CG1 4.16Å; Y322-I412 HydrophobicContact CE2-CG2 4.1Å; Y322-I412 HydrophobicContact CG-CG1 4.5Å
323	P	96.2	Very high	95.4	Very high	58 Å²	58	56.5 Å²	56.5	38%	0.377	29%	0.291	S	S	.	.	H	α-helix	trans	-53.8	-31.1	-176	22.4	-34.5	0	0	0	113.3	I325 V326 Q327	P323-I325 PolarHBondContact O-N 2.91Å; P323-V326 CarbonylContact O-C 3.5Å; P323-V326 PolarHBondContact O-N 3.32Å; P323-Q327 WeakPolarHBondContact O-CB 3.5Å; P323-Q327 PolarHBondContact O-N 3.32Å
324	Q	93.4	Very high	95.3	Very high	96 Å²	96	53.2 Å²	53.2	45%	0.449	27%	0.271	S	S	.	.	H	α-helix	trans	-62.2	-25.2	176.9	68.4	-82.2	18.1	0	0	114.3	Y322 T415	Y322-Q324 PolarHBondContact O-N 3.15Å; Q324-T415 HydrophobicContact CG-CG2 3.91Å; Q324-T415 VanDerWaalsContact NE2-CG2 3.28Å
325	I	92.8	Very high	95.2	Very high	17 Å²	17	53.2 Å²	53.2	9%	0.087	27%	0.271	C	S	.	.	H	α-helix	trans	-74.6	-33.8	178	-64.5	176.9	0	0	0	110.7	L318 Y322 P323 V333 A411 I412 T415	L318-I325 HydrophobicContact CD2-CD1 4.3Å; Y322-I325 VanDerWaalsContact CB-CD1 3.5Å; Y322-I325 HydrophobicContact CG-CD1 3.97Å; Y322-I325 WeakPolarHBondContact O-CB 3.29Å; Y322-I325 PolarHBondContact O-N 2.9Å; P323-I325 PolarHBondContact O-N 2.91Å; I325-V333 HydrophobicContact CG2-CB 4.37Å; I325-V333 HydrophobicContact CG2-CG1 3.89Å; I325-A411 HydrophobicContact CD1-CB 4.07Å; I325-A411 WeakPolarHBondContact CD1-O 3.39Å; I325-A411 HydrophobicContact CG1-CB 4.38Å; I325-A411 HydrophobicContact CG2-CB 3.82Å; I325-I412 HydrophobicContact CD1-CB 4.36Å; I325-I412 HydrophobicContact CD1-CG1 3.74Å; I325-T415 HydrophobicContact CD1-CG2 3.9Å; I325-T415 HydrophobicContact CG1-CG2 3.8Å
326	V	93.3	Very high	95.2	Very high	16 Å²	16	51.6 Å²	51.6	10%	0.097	26%	0.263	C	S	.	.	H	α-helix	trans	-107.2	3.2	-176.3	-62.8	0	0	0	0	113.2	L318 Q319 P323 D328	L318-V326 HydrophobicContact CB-CG1 3.99Å; L318-V326 HydrophobicContact CD1-CG1 4.45Å; Q319-V326 HydrophobicContact CB-CG2 4.02Å; Q319-V326 HydrophobicContact CG-CG2 4.45Å; Q319-V326 VanDerWaalsContact OE1-CG2 3.27Å; P323-V326 CarbonylContact O-C 3.5Å; P323-V326 PolarHBondContact O-N 3.32Å; V326-D328 VanDerWaalsContact C-N 3.33Å; V326-D328 PolarHBondContact O-N 2.89Å
327	Q	93.1	Very high	95.2	Very high	162 Å²	162	48.6 Å²	48.6	76%	0.757	24%	0.238	S	C	*	.	S	Bend	trans	-64.1	-39.7	-179.5	-179.7	178.8	2.3	0	0	111.8	P323	P323-Q327 WeakPolarHBondContact O-CB 3.5Å; P323-Q327 PolarHBondContact O-N 3.32Å
328	D	92.1	Very high	95.1	Very high	91 Å²	91	46.4 Å²	46.4	49%	0.487	23%	0.228	S	C	.	.	S	Bend	trans	-89	103	170	179.9	11.1	0	0	0	109	V326 K330 S331 C334	V326-D328 VanDerWaalsContact C-N 3.33Å; V326-D328 PolarHBondContact O-N 2.89Å; D328-K330 PolarHBondContact O-N 3.22Å; D328-K330 VanDerWaalsContact O-N 3.15Å; D328-K330 PolarHBondContact OD1-N 2.98Å; D328-S331 WeakPolarHBondContact O-CB 3.16Å; D328-S331 PolarHBondContact O-N 3.12Å; D328-S331 VanDerWaalsContact O-N 3.12Å; D328-S331 PolarHBondContact O-OG 2.96Å; D328-C334 PolarHBondContact O-SG 3.43Å
329	D	90.4	Very high	95.1	Very high	65 Å²	65	46.5 Å²	46.5	35%	0.348	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68	-7.9	179.1	77.3	-33.8	0	0	0	112.9	K364 F365	D329-K364 IonicContact OD2-NZ 2.79Å; D329-F365 WeakPolarHBondContact O-CZ 3.18Å
330	K	91.7	Very high	95.2	Very high	98 Å²	98	41.5 Å²	41.5	43%	0.426	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	-107.8	8.1	175.3	-66.5	176.8	178.7	-177.3	0	113.8	D328 F365 L368	D328-K330 PolarHBondContact O-N 3.22Å; D328-K330 VanDerWaalsContact O-N 3.15Å; D328-K330 PolarHBondContact OD1-N 2.98Å; K330-F365 HydrophobicContact CB-CE1 4.41Å; K330-L368 HydrophobicContact CB-CD1 4.25Å; K330-L368 HydrophobicContact CD-CD1 3.97Å; K330-L368 HydrophobicContact CG-CD1 4.14Å
331	S	93.2	Very high	95.2	Very high	13 Å²	13	35.8 Å²	35.8	9%	0.091	18%	0.18	C	C	.	.	S	Bend	trans	-65	158.8	173.6	67.8	0	0	0	0	112.1	D328 V333 C334 F335	D328-S331 WeakPolarHBondContact O-CB 3.16Å; D328-S331 PolarHBondContact O-N 3.12Å; D328-S331 VanDerWaalsContact O-N 3.12Å; D328-S331 PolarHBondContact O-OG 2.96Å; S331-V333 PolarHBondContact O-N 3.01Å; S331-C334 PolarHBondContact O-N 2.83Å; S331-C334 WeakPolarHBondContact OG-CB 3.26Å; S331-C334 PolarHBondContact OG-N 3.09Å; S331-C334 PolarHBondContact OG-SG 3.09Å; S331-F335 WeakPolarHBondContact O-CB 3.44Å; S331-F335 PolarHBondContact O-N 3.18Å
332	V	94.1	Very high	95.2	Very high	2 Å²	2	32.8 Å²	32.8	1%	0.012	16%	0.164	C	C	.	.	H	α-helix	trans	-62.6	-33.4	177.6	173.7	0	0	0	0	111.8	D24 N26 L27 L30 F335 L336 F371	D24-V332 HydrophobicContact CB-CG2 4.28Å; D24-V332 VanDerWaalsContact OD2-CB 3.26Å; D24-V332 WeakPolarHBondContact OD2-CB 3.21Å; D24-V332 WeakPolarHBondContact OD2-CG2 3.39Å; D24-V332 PolarHBondContact OD2-N 2.77Å; N26-V332 HydrophobicContact CB-CB 3.88Å; N26-V332 HydrophobicContact CB-CG1 3.8Å; N26-V332 WeakPolarHBondContact O-CG1 3.37Å; L27-V332 HydrophobicContact CD2-CG2 3.81Å; L27-V332 HydrophobicContact CG-CG2 4.2Å; L30-V332 HydrophobicContact CD1-CG1 4.41Å; L30-V332 HydrophobicContact CD1-CG2 4.28Å; L30-V332 HydrophobicContact CD2-CG1 3.96Å; L30-V332 HydrophobicContact CG-CG1 3.99Å; V332-F335 WeakPolarHBondContact O-CB 3.49Å; V332-F335 PolarHBondContact O-N 3.17Å; V332-L336 HydrophobicContact CG1-CD1 3.91Å; V332-L336 HydrophobicContact CG1-CG 4.23Å; V332-L336 WeakPolarHBondContact O-CB 3.29Å; V332-L336 WeakPolarHBondContact O-CG 3.21Å; V332-L336 PolarHBondContact O-N 2.98Å; V332-F371 HydrophobicContact CG2-CE1 3.96Å; V332-F371 HydrophobicContact CG2-CZ 3.96Å
333	V	95.4	Very high	95.3	Very high	4 Å²	4	32.1 Å²	32.1	2%	0.024	16%	0.162	C	C	.	.	H	α-helix	trans	-68.9	-45.5	179.4	-179.1	0	0	0	0	110.6	N26 I325 S331 F335 L336 L337 V408 A411	N26-V333 HydrophobicContact CB-CG2 4.41Å; I325-V333 HydrophobicContact CG2-CB 4.37Å; I325-V333 HydrophobicContact CG2-CG1 3.89Å; S331-V333 PolarHBondContact O-N 3.01Å; V333-F335 VanDerWaalsContact C-N 3.35Å; V333-L336 PolarHBondContact O-N 2.96Å; V333-L337 HydrophobicContact CG1-CD1 4.1Å; V333-L337 WeakPolarHBondContact O-CG 3.48Å; V333-L337 PolarHBondContact O-N 3.35Å; V333-V408 HydrophobicContact CG1-CG2 4.2Å; V333-A411 HydrophobicContact CG1-CB 4.31Å; V333-A411 HydrophobicContact CG2-CB 3.66Å
334	C	95.9	Very high	95.4	Very high	3 Å²	3	30.1 Å²	30.1	2%	0.02	15%	0.147	C	C	.	.	H	α-helix	trans	-59.6	-46.4	173.3	-71.9	0	0	0	0	110.9	D328 S331 L336 L337 H338	D328-C334 PolarHBondContact O-SG 3.43Å; S331-C334 PolarHBondContact O-N 2.83Å; S331-C334 WeakPolarHBondContact OG-CB 3.26Å; S331-C334 PolarHBondContact OG-N 3.09Å; S331-C334 PolarHBondContact OG-SG 3.09Å; C334-L336 PolarHBondContact O-N 3.29Å; C334-L337 PolarHBondContact O-N 3.15Å; C334-H338 PolarHBondContact O-CD2 2.98Å; C334-H338 PolarHBondContact O-N 3.02Å
335	F	96.7	Very high	95.6	Very high	0 Å²	0	26 Å²	26	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-52.4	-53.9	175	175.8	-110.7	0	0	0	112.3	L30 S331 V332 V333 L337 H338 C339 F365 F371 I374 V375	L30-F335 HydrophobicContact CD2-CD1 3.7Å; L30-F335 HydrophobicContact CD2-CE1 3.73Å; S331-F335 WeakPolarHBondContact O-CB 3.44Å; S331-F335 PolarHBondContact O-N 3.18Å; V332-F335 WeakPolarHBondContact O-CB 3.49Å; V332-F335 PolarHBondContact O-N 3.17Å; V333-F335 VanDerWaalsContact C-N 3.35Å; F335-L337 VanDerWaalsContact C-N 3.33Å; F335-L337 PolarHBondContact O-N 3.16Å; F335-H338 PolarHBondContact O-N 3.38Å; F335-C339 WeakPolarHBondContact CE2-SG 3.3Å; F335-C339 WeakPolarHBondContact CZ-SG 3.32Å; F335-C339 WeakPolarHBondContact O-CB 3.45Å; F335-C339 PolarHBondContact O-N 2.88Å; F335-F365 VanDerWaalsContact CA-CZ 3.45Å; F335-F365 HydrophobicContact CB-CD1 3.9Å; F335-F365 HydrophobicContact CB-CE1 3.44Å; F335-F365 VanDerWaalsContact CB-CE1 3.44Å; F335-F365 HydrophobicContact CB-CE2 4.42Å; F335-F365 HydrophobicContact CB-CZ 3.73Å; F335-F365 HydrophobicContact CD2-CB 3.94Å; F335-F365 AromaticContact CD2-CD1 3.53Å; F335-F365 HydrophobicContact CD2-CD1 3.53Å; F335-F365 AromaticContact CD2-CD2 3.79Å; F335-F365 HydrophobicContact CD2-CD2 3.79Å; F335-F365 AromaticContact CD2-CE1 3.9Å; F335-F365 HydrophobicContact CD2-CE1 3.9Å; F335-F365 HydrophobicContact CD2-CE2 4.14Å; F335-F365 AromaticContact CD2-CG 3.46Å; F335-F365 HydrophobicContact CD2-CG 3.46Å; F335-F365 VanDerWaalsContact CD2-CG 3.46Å; F335-F365 HydrophobicContact CD2-CZ 4.19Å; F335-F365 HydrophobicContact CE2-CB 4.07Å; F335-F365 HydrophobicContact CE2-CD1 4.43Å; F335-F365 HydrophobicContact CE2-CD2 4.49Å; F335-F365 HydrophobicContact CE2-CG 4.1Å; F335-F365 HydrophobicContact CG-CD1 4.07Å; F335-F365 HydrophobicContact CG-CE1 4.11Å; F335-F365 HydrophobicContact CG-CG 4.42Å; F335-F365 HydrophobicContact CG-CZ 4.49Å; F335-F371 HydrophobicContact CB-CD1 4.09Å; F335-F371 HydrophobicContact CB-CE1 3.84Å; F335-F371 AromaticContact CD1-CD1 3.45Å; F335-F371 HydrophobicContact CD1-CD1 3.45Å; F335-F371 VanDerWaalsContact CD1-CD1 3.45Å; F335-F371 AromaticContact CD1-CE1 3.79Å; F335-F371 HydrophobicContact CD1-CE1 3.79Å; F335-F371 HydrophobicContact CD2-CB 4.44Å; F335-F371 AromaticContact CD2-CD1 3.77Å; F335-F371 HydrophobicContact CD2-CD1 3.77Å; F335-F371 HydrophobicContact CD2-CE1 4.37Å; F335-F371 HydrophobicContact CD2-CG 4.35Å; F335-F371 AromaticContact CE1-CD1 3.69Å; F335-F371 HydrophobicContact CE1-CD1 3.69Å; F335-F371 HydrophobicContact CE1-CE1 4.45Å; F335-F371 HydrophobicContact CE2-CB 4.01Å; F335-F371 AromaticContact CE2-CD1 3.99Å; F335-F371 HydrophobicContact CE2-CD1 3.99Å; F335-F371 HydrophobicContact CE2-CG 4.37Å; F335-F371 AromaticContact CG-CD1 3.46Å; F335-F371 HydrophobicContact CG-CD1 3.46Å; F335-F371 VanDerWaalsContact CG-CD1 3.46Å; F335-F371 AromaticContact CG-CE1 3.72Å; F335-F371 HydrophobicContact CG-CE1 3.72Å; F335-F371 HydrophobicContact CG-CG 4.44Å; F335-F371 HydrophobicContact CZ-CB 4.08Å; F335-F371 AromaticContact CZ-CD1 3.94Å; F335-F371 HydrophobicContact CZ-CD1 3.94Å; F335-F371 HydrophobicContact CZ-CG 4.49Å; F335-I374 HydrophobicContact CE1-CB 4.14Å; F335-I374 HydrophobicContact CE1-CD1 4.28Å; F335-I374 HydrophobicContact CE1-CG2 3.75Å; F335-I374 HydrophobicContact CZ-CB 3.87Å; F335-I374 HydrophobicContact CZ-CG2 3.63Å; F335-V375 HydrophobicContact CE2-CG2 3.51Å; F335-V375 HydrophobicContact CZ-CG2 3.96Å
336	L	97.6	Very high	95.7	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-61.4	-40.1	-178	-73.3	173.9	0	0	0	112.3	F29 L30 I33 V332 V333 C334 Q340 L403 V404 A407	F29-L336 HydrophobicContact CB-CD1 3.82Å; L30-L336 HydrophobicContact CD2-CD2 3.98Å; L30-L336 HydrophobicContact CD2-CG 4.38Å; I33-L336 HydrophobicContact CD1-CD2 3.43Å; I33-L336 VanDerWaalsContact CD1-CD2 3.43Å; V332-L336 HydrophobicContact CG1-CD1 3.91Å; V332-L336 HydrophobicContact CG1-CG 4.23Å; V332-L336 WeakPolarHBondContact O-CB 3.29Å; V332-L336 WeakPolarHBondContact O-CG 3.21Å; V332-L336 PolarHBondContact O-N 2.98Å; V333-L336 PolarHBondContact O-N 2.96Å; C334-L336 PolarHBondContact O-N 3.29Å; L336-Q340 WeakPolarHBondContact O-CB 3.44Å; L336-Q340 PolarHBondContact O-N 3.24Å; L336-L403 HydrophobicContact CD2-CD2 4.3Å; L336-V404 HydrophobicContact CB-CG1 4.28Å; L336-V404 HydrophobicContact CB-CG2 4.27Å; L336-A407 HydrophobicContact CD1-CB 3.48Å; L336-A407 VanDerWaalsContact CD1-CB 3.48Å
337	L	98.5	Very high	95.8	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-65.8	-46	175.3	-73.6	166.6	0	0	0	111.4	V306 I311 L315 L318 V333 C334 F335 C339 Q340 K341 V404 V408	V306-L337 HydrophobicContact CG2-CD2 4.19Å; I311-L337 HydrophobicContact CG2-CB 4.25Å; I311-L337 HydrophobicContact CG2-CD2 4.06Å; I311-L337 WeakPolarHBondContact CG2-O 3.26Å; L315-L337 HydrophobicContact CD2-CB 4.12Å; L315-L337 HydrophobicContact CD2-CD1 3.7Å; L315-L337 HydrophobicContact CD2-CG 4.48Å; L315-L337 HydrophobicContact CG-CB 4.44Å; L315-L337 HydrophobicContact CG-CD1 4.36Å; L318-L337 HydrophobicContact CD1-CD1 3.59Å; V333-L337 HydrophobicContact CG1-CD1 4.1Å; V333-L337 WeakPolarHBondContact O-CG 3.48Å; V333-L337 PolarHBondContact O-N 3.35Å; C334-L337 PolarHBondContact O-N 3.15Å; F335-L337 VanDerWaalsContact C-N 3.33Å; F335-L337 PolarHBondContact O-N 3.16Å; L337-C339 PolarHBondContact O-N 3.42Å; L337-Q340 PolarHBondContact O-N 2.9Å; L337-K341 PolarHBondContact O-N 3.24Å; L337-V404 HydrophobicContact CD2-CG1 4.03Å; L337-V404 HydrophobicContact CG-CG1 4.46Å; L337-V408 HydrophobicContact CD1-CG2 4.18Å; L337-V408 HydrophobicContact CD2-CG2 3.91Å; L337-V408 HydrophobicContact CG-CG2 4.18Å
338	H	97.9	Very high	95.9	Very high	17 Å²	17	25.4 Å²	25.4	8%	0.079	13%	0.127	C	C	.	.	H	α-helix	trans	-65.1	-41.1	177.7	-67.6	-65	0	0	0	111.9	C334 F335 Q340 K341 F342 Y357 E361 L362	C334-H338 PolarHBondContact O-CD2 2.98Å; C334-H338 PolarHBondContact O-N 3.02Å; F335-H338 PolarHBondContact O-N 3.38Å; H338-Q340 VanDerWaalsContact C-N 3.34Å; H338-Q340 PolarHBondContact O-N 3.3Å; H338-K341 PolarHBondContact O-N 3.19Å; H338-F342 PolarHBondContact O-N 3.14Å; H338-Y357 HydrophobicContact CB-CE1 4.25Å; H338-Y357 AromaticContact ND1-CZ 3.64Å; H338-Y357 PolarHBondContact ND1-OH 3.33Å; H338-E361 HydrophobicContact CB-CB 4.25Å; H338-E361 IonicContact CE1-OE2 3.5Å; H338-E361 PolarHBondContact CE1-OE2 3.42Å; H338-E361 IonicContact ND1-OE2 2.74Å; H338-E361 IonicContact NE2-OE2 3.9Å; H338-L362 HydrophobicContact CB-CD1 3.7Å; H338-L362 WeakPolarHBondContact O-CD1 3.33Å
339	C	97.5	Very high	96	Very high	1 Å²	1	23.4 Å²	23.4	1%	0.007	13%	0.129	C	C	.	.	H	α-helix	trans	-56.7	-48.4	171.4	-81	0	0	0	0	110.9	F335 L337 K341 F342 I343	F335-C339 WeakPolarHBondContact CE2-SG 3.3Å; F335-C339 WeakPolarHBondContact CZ-SG 3.32Å; F335-C339 WeakPolarHBondContact O-CB 3.45Å; F335-C339 PolarHBondContact O-N 2.88Å; L337-C339 PolarHBondContact O-N 3.42Å; C339-K341 PolarHBondContact O-N 3.33Å; C339-F342 WeakPolarHBondContact O-CB 3.45Å; C339-F342 PolarHBondContact O-N 2.84Å; C339-I343 WeakPolarHBondContact O-CD1 2.95Å; C339-I343 VanDerWaalsContact O-CG1 3.22Å; C339-I343 WeakPolarHBondContact O-CG1 3.1Å; C339-I343 PolarHBondContact O-N 3.3Å
340	Q	98.1	Very high	96.2	Very high	0 Å²	0	25 Å²	25	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-61.1	-45	179	-163.9	60.5	49.4	0	0	111.6	I311 L336 L337 H338 F342 I343 E344 V404	I311-Q340 HydrophobicContact CD1-CB 4.04Å; I311-Q340 HydrophobicContact CD1-CG 3.61Å; I311-Q340 HydrophobicContact CG1-CB 4.13Å; I311-Q340 HydrophobicContact CG1-CG 3.93Å; L336-Q340 WeakPolarHBondContact O-CB 3.44Å; L336-Q340 PolarHBondContact O-N 3.24Å; L337-Q340 PolarHBondContact O-N 2.9Å; H338-Q340 VanDerWaalsContact C-N 3.34Å; H338-Q340 PolarHBondContact O-N 3.3Å; Q340-F342 VanDerWaalsContact C-N 3.32Å; Q340-F342 PolarHBondContact O-N 3.49Å; Q340-I343 WeakPolarHBondContact O-CB 3.27Å; Q340-I343 PolarHBondContact O-N 3.1Å; Q340-I343 VanDerWaalsContact O-N 3.16Å; Q340-E344 PolarHBondContact NE2-OE1 3.24Å; Q340-E344 VanDerWaalsContact O-CG 3.31Å; Q340-E344 WeakPolarHBondContact O-CG 3.4Å; Q340-E344 PolarHBondContact O-N 3.5Å; Q340-V404 HydrophobicContact CB-CG1 4.34Å; Q340-V404 HydrophobicContact CB-CG2 4.22Å; Q340-V404 HydrophobicContact CG-CG2 4.47Å
341	K	98.1	Very high	96.3	Very high	31 Å²	31	24.8 Å²	24.8	14%	0.135	14%	0.135	C	C	.	.	H	α-helix	trans	-59.8	-42.8	177.9	176.6	57.8	-176.9	-174.7	0	112	I311 D312 L337 H338 C339 E344 L345 Y357	I311-K341 HydrophobicContact CB-CB 3.97Å; I311-K341 HydrophobicContact CB-CD 4.28Å; I311-K341 HydrophobicContact CG1-CB 4.39Å; I311-K341 HydrophobicContact CG2-CB 3.84Å; D312-K341 WeakPolarHBondContact OD1-CD 3.3Å; D312-K341 VanDerWaalsContact OD1-CE 3.22Å; D312-K341 WeakPolarHBondContact OD1-CE 3.46Å; D312-K341 IonicContact OD1-NZ 2.75Å; D312-K341 WeakPolarHBondContact OD2-CE 3.27Å; D312-K341 IonicContact OD2-NZ 3.89Å; D312-K341 PolarHBondContact OD2-NZ 2.75Å; L337-K341 PolarHBondContact O-N 3.24Å; H338-K341 PolarHBondContact O-N 3.19Å; C339-K341 PolarHBondContact O-N 3.33Å; K341-E344 PolarHBondContact O-N 3.16Å; K341-L345 WeakPolarHBondContact O-CG 3.07Å; K341-L345 PolarHBondContact O-N 2.94Å; K341-L345 VanDerWaalsContact O-N 3.08Å; K341-Y357 HydrophobicContact CB-CE1 3.73Å; K341-Y357 WeakPolarHBondContact CB-OH 3.44Å; K341-Y357 HydrophobicContact CG-CD1 4.14Å; K341-Y357 HydrophobicContact CG-CD2 4.22Å; K341-Y357 HydrophobicContact CG-CE1 3.56Å; K341-Y357 HydrophobicContact CG-CE2 3.66Å; K341-Y357 HydrophobicContact CG-CG 4.43Å; K341-Y357 WeakPolarHBondContact CG-OH 3.43Å
342	F	98.2	Very high	96.4	Very high	1 Å²	1	31.5 Å²	31.5	0%	0.004	17%	0.165	C	C	.	.	H	α-helix	trans	-60.5	-47.8	174.5	177.1	-86.5	0	0	0	111.2	H338 C339 Q340 E344 L345 V346 G354 Y357 L362 C378 F379 L382	H338-F342 PolarHBondContact O-N 3.14Å; C339-F342 WeakPolarHBondContact O-CB 3.45Å; C339-F342 PolarHBondContact O-N 2.84Å; Q340-F342 VanDerWaalsContact C-N 3.32Å; Q340-F342 PolarHBondContact O-N 3.49Å; F342-E344 VanDerWaalsContact C-N 3.29Å; F342-E344 PolarHBondContact O-N 3.09Å; F342-L345 WeakPolarHBondContact O-CB 3.36Å; F342-L345 PolarHBondContact O-N 3.33Å; F342-L345 VanDerWaalsContact O-N 3.13Å; F342-V346 HydrophobicContact CD1-CG2 4.14Å; F342-V346 HydrophobicContact CE1-CG2 3.64Å; F342-V346 HydrophobicContact CZ-CG2 3.94Å; F342-V346 WeakPolarHBondContact O-CG2 3.24Å; F342-V346 PolarHBondContact O-N 3.49Å; F342-G354 VanDerWaalsContact CD2-O 3.29Å; F342-G354 WeakPolarHBondContact CD2-O 3.37Å; F342-G354 VanDerWaalsContact CE2-O 3.23Å; F342-G354 WeakPolarHBondContact CE2-O 3.42Å; F342-Y357 HydrophobicContact CB-CD1 4.32Å; F342-L362 HydrophobicContact CB-CD1 4.15Å; F342-L362 HydrophobicContact CB-CD2 4.05Å; F342-L362 HydrophobicContact CD1-CD2 4.28Å; F342-L362 HydrophobicContact CD2-CD2 4.28Å; F342-L362 HydrophobicContact CG-CD2 3.94Å; F342-C378 HydrophobicContact CD1-CB 4.16Å; F342-C378 HydrophobicContact CE1-CB 4.27Å; F342-C378 WeakPolarHBondContact CE1-O 3.3Å; F342-F379 HydrophobicContact CE1-CD1 4.43Å; F342-F379 HydrophobicContact CE2-CD1 4.12Å; F342-F379 HydrophobicContact CE2-CE1 4.23Å; F342-F379 AromaticContact CZ-CD1 3.86Å; F342-F379 HydrophobicContact CZ-CD1 3.86Å; F342-F379 HydrophobicContact CZ-CE1 4.42Å; F342-L382 HydrophobicContact CE2-CD1 4.06Å; F342-L382 HydrophobicContact CZ-CD1 3.59Å; F342-L382 HydrophobicContact CZ-CD2 4.32Å; F342-L382 HydrophobicContact CZ-CG 3.76Å
343	I	97.3	Very high	96.5	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-58.6	-41.3	177.2	-67.6	160.6	0	0	0	110.9	C339 Q340 L345 V346 R347 L381 F395 L396 Q400	C339-I343 WeakPolarHBondContact O-CD1 2.95Å; C339-I343 VanDerWaalsContact O-CG1 3.22Å; C339-I343 WeakPolarHBondContact O-CG1 3.1Å; C339-I343 PolarHBondContact O-N 3.3Å; Q340-I343 WeakPolarHBondContact O-CB 3.27Å; Q340-I343 PolarHBondContact O-N 3.1Å; Q340-I343 VanDerWaalsContact O-N 3.16Å; I343-L345 PolarHBondContact O-N 2.92Å; I343-V346 PolarHBondContact O-N 2.87Å; I343-R347 VanDerWaalsContact O-CB 3.28Å; I343-R347 WeakPolarHBondContact O-CB 3.41Å; I343-R347 PolarHBondContact O-N 3.32Å; I343-L381 HydrophobicContact CG1-CD1 4.07Å; I343-F395 HydrophobicContact CD1-CB 3.92Å; I343-F395 HydrophobicContact CD1-CD1 3.59Å; I343-F395 HydrophobicContact CD1-CE1 4.46Å; I343-F395 HydrophobicContact CD1-CG 4.03Å; I343-F395 HydrophobicContact CG1-CB 4.35Å; I343-F395 WeakPolarHBondContact CG2-O 3.44Å; I343-L396 HydrophobicContact CG2-CD2 3.92Å; I343-Q400 HydrophobicContact CD1-CG 4.41Å
344	E	97.6	Very high	96.6	Very high	16 Å²	16	35.6 Å²	35.6	8%	0.075	18%	0.184	C	C	.	.	H	α-helix	trans	-63.8	-38.8	176.6	-65.1	-43.9	141.8	0	0	112.7	I311 Q340 K341 F342 R347 V348 R401	I311-E344 HydrophobicContact CG1-CG 4.29Å; Q340-E344 PolarHBondContact NE2-OE1 3.24Å; Q340-E344 VanDerWaalsContact O-CG 3.31Å; Q340-E344 WeakPolarHBondContact O-CG 3.4Å; Q340-E344 PolarHBondContact O-N 3.5Å; K341-E344 PolarHBondContact O-N 3.16Å; F342-E344 VanDerWaalsContact C-N 3.29Å; F342-E344 PolarHBondContact O-N 3.09Å; E344-R347 PolarHBondContact O-N 3.48Å; E344-R347 IonicContact OE1-NE 3.36Å; E344-R347 IonicContact OE2-NE 3.72Å; E344-R347 PolarHBondContact OE2-NE 3.18Å; E344-V348 WeakPolarHBondContact O-CG2 3.45Å; E344-V348 PolarHBondContact O-N 3.17Å; E344-R401 IonicContact OE1-CZ 3.18Å; E344-R401 IonicContact OE1-NE 3.62Å; E344-R401 PolarHBondContact OE1-NE 2.97Å; E344-R401 IonicContact OE1-NH2 3.5Å; E344-R401 PolarHBondContact OE1-NH2 3.07Å; E344-R401 IonicContact OE2-CZ 2.89Å; E344-R401 IonicContact OE2-NE 3.61Å; E344-R401 IonicContact OE2-NH2 2.79Å; E344-R401 PolarHBondContact OE2-NH2 3.42Å
345	L	97.8	Very high	96.6	Very high	8 Å²	8	37.8 Å²	37.8	4%	0.042	20%	0.197	C	C	.	.	H	α-helix	trans	-65.4	-41.7	175.9	-69.9	169.8	0	0	0	111.8	K341 F342 I343 G349 K350 E353 Y357	K341-L345 WeakPolarHBondContact O-CG 3.07Å; K341-L345 PolarHBondContact O-N 2.94Å; K341-L345 VanDerWaalsContact O-N 3.08Å; F342-L345 WeakPolarHBondContact O-CB 3.36Å; F342-L345 PolarHBondContact O-N 3.33Å; F342-L345 VanDerWaalsContact O-N 3.13Å; I343-L345 PolarHBondContact O-N 2.92Å; L345-G349 PolarHBondContact O-N 3.41Å; L345-K350 HydrophobicContact CD2-CB 4.14Å; L345-K350 HydrophobicContact CD2-CD 4.09Å; L345-K350 PolarHBondContact O-N 3.49Å; L345-E353 HydrophobicContact CD1-CB 4.37Å; L345-E353 HydrophobicContact CD2-CB 4.01Å; L345-Y357 HydrophobicContact CD1-CG 4.05Å
346	V	96.2	Very high	96.7	Very high	4 Å²	4	41.8 Å²	41.8	2%	0.024	22%	0.219	C	C	.	.	H	α-helix	trans	-64.9	-45	174.9	177.7	0	0	0	0	110.9	F342 I343 V348 G349 L381 L382 P387	F342-V346 HydrophobicContact CD1-CG2 4.14Å; F342-V346 HydrophobicContact CE1-CG2 3.64Å; F342-V346 HydrophobicContact CZ-CG2 3.94Å; F342-V346 WeakPolarHBondContact O-CG2 3.24Å; F342-V346 PolarHBondContact O-N 3.49Å; I343-V346 PolarHBondContact O-N 2.87Å; V346-V348 VanDerWaalsContact C-N 3.29Å; V346-V348 PolarHBondContact O-N 2.92Å; V346-G349 PolarHBondContact O-N 2.76Å; V346-L381 HydrophobicContact CG1-CB 4.04Å; V346-L382 HydrophobicContact CG2-CD2 3.68Å; V346-L382 HydrophobicContact CG2-CG 4.28Å; V346-P387 HydrophobicContact CG1-CB 4.09Å; V346-P387 HydrophobicContact CG1-CG 3.69Å
347	R	94.9	Very high	96.7	Very high	81 Å²	81	43.5 Å²	43.5	31%	0.306	23%	0.225	S	C	.	.	H	α-helix	trans	-56.3	-39.8	179.9	-177.3	-169.6	-62.3	-81.4	8	112.9	I343 E344 G349 L396 R401	I343-R347 VanDerWaalsContact O-CB 3.28Å; I343-R347 WeakPolarHBondContact O-CB 3.41Å; I343-R347 PolarHBondContact O-N 3.32Å; E344-R347 PolarHBondContact O-N 3.48Å; E344-R347 IonicContact OE1-NE 3.36Å; E344-R347 IonicContact OE2-NE 3.72Å; E344-R347 PolarHBondContact OE2-NE 3.18Å; R347-G349 VanDerWaalsContact C-N 3.34Å; R347-L396 HydrophobicContact CB-CD2 4.16Å; R347-L396 PolarHBondContact NH1-O 2.97Å; R347-L396 VanDerWaalsContact NH2-CA 3.27Å; R347-L396 PolarHBondContact NH2-O 3.24Å; R347-R401 VanDerWaalsContact NE-NH2 3.2Å
348	V	94.9	Very high	96.6	Very high	98 Å²	98	43.6 Å²	43.6	59%	0.594	23%	0.226	S	C	*	.	T	Hydrogen-bonded Turn	trans	-89.7	3.6	179	-56.1	0	0	0	0	113.5	E344 V346 K350	E344-V348 WeakPolarHBondContact O-CG2 3.45Å; E344-V348 PolarHBondContact O-N 3.17Å; V346-V348 VanDerWaalsContact C-N 3.29Å; V346-V348 PolarHBondContact O-N 2.92Å; V348-K350 VanDerWaalsContact C-N 3.34Å; V348-K350 HydrophobicContact CG2-CB 4.06Å; V348-K350 HydrophobicContact CG2-CD 3.7Å; V348-K350 HydrophobicContact CG2-CG 3.82Å; V348-K350 PolarHBondContact O-N 3.37Å
349	G	93.8	Very high	96.5	Very high	50 Å²	50	51.4 Å²	51.4	52%	0.515	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	75.9	14	177.9	0	0	0	0	0	115.3	L345 V346 R347 L351	L345-G349 PolarHBondContact O-N 3.41Å; V346-G349 PolarHBondContact O-N 2.76Å; R347-G349 VanDerWaalsContact C-N 3.34Å; G349-L351 PolarHBondContact O-N 2.97Å
350	K	95.9	Very high	96.4	Very high	97 Å²	97	56.8 Å²	56.8	42%	0.422	28%	0.283	S	S	.	.			trans	-80.5	63.1	176.8	-77.2	173.3	161.6	-118.9	0	110.9	L345 V348 E352 E353 G354	L345-K350 HydrophobicContact CD2-CB 4.14Å; L345-K350 HydrophobicContact CD2-CD 4.09Å; L345-K350 PolarHBondContact O-N 3.49Å; V348-K350 VanDerWaalsContact C-N 3.34Å; V348-K350 HydrophobicContact CG2-CB 4.06Å; V348-K350 HydrophobicContact CG2-CD 3.7Å; V348-K350 HydrophobicContact CG2-CG 3.82Å; V348-K350 PolarHBondContact O-N 3.37Å; K350-E352 PolarHBondContact O-N 3.46Å; K350-E353 HydrophobicContact CB-CB 4.24Å; K350-E353 WeakPolarHBondContact CD-OE1 3.5Å; K350-E353 WeakPolarHBondContact CE-OE1 3.34Å; K350-E353 VanDerWaalsContact NZ-CD 3.31Å; K350-E353 IonicContact NZ-OE1 3.15Å; K350-E353 PolarHBondContact NZ-OE1 2.7Å; K350-E353 IonicContact NZ-OE2 2.86Å; K350-E353 PolarHBondContact NZ-OE2 3.18Å; K350-E353 PolarHBondContact O-N 2.68Å; K350-G354 PolarHBondContact O-N 2.94Å
351	L	92.2	Very high	96.3	Very high	94 Å²	94	58.4 Å²	58.4	49%	0.492	29%	0.291	S	S	.	.	H	α-helix	trans	-62.3	-40.7	-169.1	-58.5	-178.4	0	0	0	113.6	G349 G354 V355 L382	G349-L351 PolarHBondContact O-N 2.97Å; L351-G354 PolarHBondContact O-N 3.44Å; L351-V355 WeakPolarHBondContact O-CG2 3.37Å; L351-V355 PolarHBondContact O-N 3.43Å; L351-L382 HydrophobicContact CD2-CD2 3.86Å
352	E	96	Very high	96.1	Very high	154 Å²	154	56.9 Å²	56.9	72%	0.72	28%	0.284	S	S	*	.	H	α-helix	trans	-64.2	-46.5	178.9	-175.4	178.9	179.1	0	0	111.6	K350 G354 V355 N356	K350-E352 PolarHBondContact O-N 3.46Å; E352-G354 VanDerWaalsContact C-N 3.32Å; E352-G354 PolarHBondContact O-N 2.86Å; E352-V355 PolarHBondContact O-N 3.19Å; E352-N356 WeakPolarHBondContact O-CB 3.14Å; E352-N356 VanDerWaalsContact O-CG 3.32Å; E352-N356 PolarHBondContact O-N 3.13Å; E352-N356 PolarHBondContact O-ND2 2.69Å
353	E	97	Very high	95.8	Very high	93 Å²	93	59 Å²	59	44%	0.435	30%	0.301	S	S	.	.	H	α-helix	trans	-60.7	-43	173.5	-65.5	175	-125.2	0	0	110.6	L345 K350 N356 Y357	L345-E353 HydrophobicContact CD1-CB 4.37Å; L345-E353 HydrophobicContact CD2-CB 4.01Å; K350-E353 HydrophobicContact CB-CB 4.24Å; K350-E353 WeakPolarHBondContact CD-OE1 3.5Å; K350-E353 WeakPolarHBondContact CE-OE1 3.34Å; K350-E353 VanDerWaalsContact NZ-CD 3.31Å; K350-E353 IonicContact NZ-OE1 3.15Å; K350-E353 PolarHBondContact NZ-OE1 2.7Å; K350-E353 IonicContact NZ-OE2 2.86Å; K350-E353 PolarHBondContact NZ-OE2 3.18Å; K350-E353 PolarHBondContact O-N 2.68Å; E353-N356 PolarHBondContact O-N 2.94Å; E353-Y357 WeakPolarHBondContact O-CB 3.29Å; E353-Y357 PolarHBondContact O-N 3.25Å
354	G	95.7	Very high	95.7	Very high	0 Å²	0	62.3 Å²	62.3	0%	0	32%	0.316	C	S	.	.	H	α-helix	trans	-59.5	-47.4	176.9	0	0	0	0	0	112.9	F342 K350 L351 E352 Y357 G358	F342-G354 VanDerWaalsContact CD2-O 3.29Å; F342-G354 WeakPolarHBondContact CD2-O 3.37Å; F342-G354 VanDerWaalsContact CE2-O 3.23Å; F342-G354 WeakPolarHBondContact CE2-O 3.42Å; K350-G354 PolarHBondContact O-N 2.94Å; L351-G354 PolarHBondContact O-N 3.44Å; E352-G354 VanDerWaalsContact C-N 3.32Å; E352-G354 PolarHBondContact O-N 2.86Å; G354-Y357 PolarHBondContact O-N 3.06Å; G354-G358 PolarHBondContact O-N 2.91Å
355	V	97.1	Very high	95.5	Very high	48 Å²	48	61.6 Å²	61.6	29%	0.291	31%	0.312	S	S	.	.	H	α-helix	trans	-63.6	-45.3	177.5	169.8	0	0	0	0	111.1	L351 E352 G358 R359 L382	L351-V355 WeakPolarHBondContact O-CG2 3.37Å; L351-V355 PolarHBondContact O-N 3.43Å; E352-V355 PolarHBondContact O-N 3.19Å; V355-G358 PolarHBondContact O-N 3.27Å; V355-R359 WeakPolarHBondContact O-CG 3.36Å; V355-R359 PolarHBondContact O-N 3.05Å; V355-L382 HydrophobicContact CG2-CD1 3.82Å
356	N	97.9	Very high	95.2	Very high	84 Å²	84	64.6 Å²	64.6	45%	0.449	33%	0.331	S	S	.	.	H	α-helix	trans	-63.5	-44	178.3	-72.9	-26	0	0	0	111.3	E352 E353 R359 L360	E352-N356 WeakPolarHBondContact O-CB 3.14Å; E352-N356 VanDerWaalsContact O-CG 3.32Å; E352-N356 PolarHBondContact O-N 3.13Å; E352-N356 PolarHBondContact O-ND2 2.69Å; E353-N356 PolarHBondContact O-N 2.94Å; N356-R359 PolarHBondContact O-N 2.84Å; N356-L360 WeakPolarHBondContact O-CB 3.26Å; N356-L360 PolarHBondContact O-N 3Å
357	Y	97.4	Very high	94.8	Very high	36 Å²	36	67.4 Å²	67.4	14%	0.141	36%	0.361	C	S	.	.	H	α-helix	trans	-64.3	-43.4	176.4	-167.3	-89.2	0	0	0	111.8	H338 K341 F342 L345 E353 G354 R359 L360 E361	H338-Y357 HydrophobicContact CB-CE1 4.25Å; H338-Y357 AromaticContact ND1-CZ 3.64Å; H338-Y357 PolarHBondContact ND1-OH 3.33Å; K341-Y357 HydrophobicContact CB-CE1 3.73Å; K341-Y357 WeakPolarHBondContact CB-OH 3.44Å; K341-Y357 HydrophobicContact CG-CD1 4.14Å; K341-Y357 HydrophobicContact CG-CD2 4.22Å; K341-Y357 HydrophobicContact CG-CE1 3.56Å; K341-Y357 HydrophobicContact CG-CE2 3.66Å; K341-Y357 HydrophobicContact CG-CG 4.43Å; K341-Y357 WeakPolarHBondContact CG-OH 3.43Å; F342-Y357 HydrophobicContact CB-CD1 4.32Å; L345-Y357 HydrophobicContact CD1-CG 4.05Å; E353-Y357 WeakPolarHBondContact O-CB 3.29Å; E353-Y357 PolarHBondContact O-N 3.25Å; G354-Y357 PolarHBondContact O-N 3.06Å; Y357-R359 VanDerWaalsContact C-N 3.31Å; Y357-R359 PolarHBondContact O-N 2.65Å; Y357-L360 PolarHBondContact O-N 3.12Å; Y357-E361 HydrophobicContact CD1-CB 4.24Å; Y357-E361 HydrophobicContact CD1-CG 4.42Å; Y357-E361 HydrophobicContact CD2-CG 4.23Å; Y357-E361 HydrophobicContact CE1-CB 3.87Å; Y357-E361 HydrophobicContact CE1-CG 4.04Å; Y357-E361 HydrophobicContact CE2-CG 3.83Å; Y357-E361 PolarHBondContact O-N 3.39Å
358	G	96.3	Very high	94.6	Very high	2 Å²	2	66.2 Å²	66.2	2%	0.021	36%	0.361	C	S	.	.	H	α-helix	trans	-59.3	-41.1	177	0	0	0	0	0	112.6	G354 V355 L362 A363	G354-G358 PolarHBondContact O-N 2.91Å; V355-G358 PolarHBondContact O-N 3.27Å; G358-L362 WeakPolarHBondContact O-CB 3.07Å; G358-L362 PolarHBondContact O-N 3.15Å; G358-A363 PolarHBondContact O-N 2.94Å
359	R	96.4	Very high	94.2	Very high	182 Å²	182	68.4 Å²	68.4	69%	0.687	37%	0.374	S	S	*	.	H	α-helix	trans	-70.1	-32.4	175.8	-73.2	173.7	178.7	170	0.9	113.6	V355 N356 Y357 A363	V355-R359 WeakPolarHBondContact O-CG 3.36Å; V355-R359 PolarHBondContact O-N 3.05Å; N356-R359 PolarHBondContact O-N 2.84Å; Y357-R359 VanDerWaalsContact C-N 3.31Å; Y357-R359 PolarHBondContact O-N 2.65Å; R359-A363 WeakPolarHBondContact O-CB 3.2Å
360	L	96.2	Very high	93.9	Very high	113 Å²	113	67.4 Å²	67.4	59%	0.592	36%	0.364	S	S	*	.	H	α-helix	trans	-83.5	-47.4	-177.3	-176.2	65.5	0	0	0	112	N356 Y357 K364	N356-L360 WeakPolarHBondContact O-CB 3.26Å; N356-L360 PolarHBondContact O-N 3Å; Y357-L360 PolarHBondContact O-N 3.12Å; L360-K364 VanDerWaalsContact O-CE 3.3Å; L360-K364 WeakPolarHBondContact O-CE 3.36Å
361	E	95.6	Very high	93.8	Very high	34 Å²	34	63.6 Å²	63.6	16%	0.159	35%	0.347	C	S	.	.	T	Hydrogen-bonded Turn	trans	-105.6	-52.5	-169.1	-59.8	-58.1	159.8	0	0	112.8	H338 Y357 A363 K364	H338-E361 HydrophobicContact CB-CB 4.25Å; H338-E361 IonicContact CE1-OE2 3.5Å; H338-E361 PolarHBondContact CE1-OE2 3.42Å; H338-E361 IonicContact ND1-OE2 2.74Å; H338-E361 IonicContact NE2-OE2 3.9Å; Y357-E361 HydrophobicContact CD1-CB 4.24Å; Y357-E361 HydrophobicContact CD1-CG 4.42Å; Y357-E361 HydrophobicContact CD2-CG 4.23Å; Y357-E361 HydrophobicContact CE1-CB 3.87Å; Y357-E361 HydrophobicContact CE1-CG 4.04Å; Y357-E361 HydrophobicContact CE2-CG 3.83Å; Y357-E361 PolarHBondContact O-N 3.39Å; E361-A363 VanDerWaalsContact C-N 3.34Å; E361-A363 PolarHBondContact O-N 2.9Å; E361-K364 WeakPolarHBondContact O-CB 3.24Å; E361-K364 WeakPolarHBondContact O-CG 3.3Å; E361-K364 PolarHBondContact O-N 2.97Å; E361-K364 IonicContact OE1-NZ 3.31Å; E361-K364 WeakPolarHBondContact OE2-CE 3.16Å; E361-K364 IonicContact OE2-NZ 2.73Å; E361-K364 PolarHBondContact OE2-NZ 2.76Å
362	L	93.4	Very high	93.7	Very high	0 Å²	0	62 Å²	62	0%	0	34%	0.337	C	S	.	.	G	3₁₀ helix	trans	-67.4	-34.8	-179.4	-101.8	62.1	0	0	0	112.6	H338 F342 G358 K364 F365 C378 F379	H338-L362 HydrophobicContact CB-CD1 3.7Å; H338-L362 WeakPolarHBondContact O-CD1 3.33Å; F342-L362 HydrophobicContact CB-CD1 4.15Å; F342-L362 HydrophobicContact CB-CD2 4.05Å; F342-L362 HydrophobicContact CD1-CD2 4.28Å; F342-L362 HydrophobicContact CD2-CD2 4.28Å; F342-L362 HydrophobicContact CG-CD2 3.94Å; G358-L362 WeakPolarHBondContact O-CB 3.07Å; G358-L362 PolarHBondContact O-N 3.15Å; L362-K364 PolarHBondContact O-N 3.21Å; L362-K364 VanDerWaalsContact O-N 3.09Å; L362-F365 PolarHBondContact O-N 2.93Å; L362-C378 HydrophobicContact CD2-CB 4.04Å; L362-F379 HydrophobicContact CB-CE1 3.93Å; L362-F379 HydrophobicContact CB-CZ 3.89Å; L362-F379 HydrophobicContact CD2-CD1 4.3Å; L362-F379 HydrophobicContact CD2-CE1 3.7Å; L362-F379 HydrophobicContact CD2-CZ 4.32Å; L362-F379 HydrophobicContact CG-CE1 4.47Å
363	A	92.3	Very high	93.5	Very high	44 Å²	44	57.6 Å²	57.6	36%	0.364	32%	0.319	S	S	.	.	G	3₁₀ helix	trans	-59.7	-22.5	-179.9	0	0	0	0	0	113.1	G358 R359 E361 F365 V366	G358-A363 PolarHBondContact O-N 2.94Å; R359-A363 WeakPolarHBondContact O-CB 3.2Å; E361-A363 VanDerWaalsContact C-N 3.34Å; E361-A363 PolarHBondContact O-N 2.9Å; A363-F365 PolarHBondContact O-N 3.47Å; A363-V366 WeakPolarHBondContact O-CB 3.49Å; A363-V366 PolarHBondContact O-N 2.77Å
364	K	94.3	Very high	93.4	Very high	71 Å²	71	53.3 Å²	53.3	31%	0.309	30%	0.299	S	S	.	.	G	3₁₀ helix	trans	-61.3	-24.1	174.9	-61.3	175.1	178.3	175.3	0	113.2	D329 L360 E361 L362	D329-K364 IonicContact OD2-NZ 2.79Å; L360-K364 VanDerWaalsContact O-CE 3.3Å; L360-K364 WeakPolarHBondContact O-CE 3.36Å; E361-K364 WeakPolarHBondContact O-CB 3.24Å; E361-K364 WeakPolarHBondContact O-CG 3.3Å; E361-K364 PolarHBondContact O-N 2.97Å; E361-K364 IonicContact OE1-NZ 3.31Å; E361-K364 WeakPolarHBondContact OE2-CE 3.16Å; E361-K364 IonicContact OE2-NZ 2.73Å; E361-K364 PolarHBondContact OE2-NZ 2.76Å; L362-K364 PolarHBondContact O-N 3.21Å; L362-K364 VanDerWaalsContact O-N 3.09Å
365	F	94.9	Very high	93.4	Very high	0 Å²	0	53.3 Å²	53.3	0%	0	30%	0.299	C	S	.	.	G	3₁₀ helix	trans	-96.4	-9.5	-178.2	-60.1	-89.8	0	0	0	113.3	D329 K330 F335 L362 A363 G367 L368 F371 V375	D329-F365 WeakPolarHBondContact O-CZ 3.18Å; K330-F365 HydrophobicContact CB-CE1 4.41Å; F335-F365 VanDerWaalsContact CA-CZ 3.45Å; F335-F365 HydrophobicContact CB-CD1 3.9Å; F335-F365 HydrophobicContact CB-CE1 3.44Å; F335-F365 VanDerWaalsContact CB-CE1 3.44Å; F335-F365 HydrophobicContact CB-CE2 4.42Å; F335-F365 HydrophobicContact CB-CZ 3.73Å; F335-F365 HydrophobicContact CD2-CB 3.94Å; F335-F365 AromaticContact CD2-CD1 3.53Å; F335-F365 HydrophobicContact CD2-CD1 3.53Å; F335-F365 AromaticContact CD2-CD2 3.79Å; F335-F365 HydrophobicContact CD2-CD2 3.79Å; F335-F365 AromaticContact CD2-CE1 3.9Å; F335-F365 HydrophobicContact CD2-CE1 3.9Å; F335-F365 HydrophobicContact CD2-CE2 4.14Å; F335-F365 AromaticContact CD2-CG 3.46Å; F335-F365 HydrophobicContact CD2-CG 3.46Å; F335-F365 VanDerWaalsContact CD2-CG 3.46Å; F335-F365 HydrophobicContact CD2-CZ 4.19Å; F335-F365 HydrophobicContact CE2-CB 4.07Å; F335-F365 HydrophobicContact CE2-CD1 4.43Å; F335-F365 HydrophobicContact CE2-CD2 4.49Å; F335-F365 HydrophobicContact CE2-CG 4.1Å; F335-F365 HydrophobicContact CG-CD1 4.07Å; F335-F365 HydrophobicContact CG-CE1 4.11Å; F335-F365 HydrophobicContact CG-CG 4.42Å; F335-F365 HydrophobicContact CG-CZ 4.49Å; L362-F365 PolarHBondContact O-N 2.93Å; A363-F365 PolarHBondContact O-N 3.47Å; F365-G367 PolarHBondContact O-N 3.43Å; F365-L368 HydrophobicContact CD1-CD1 4.18Å; F365-L368 WeakPolarHBondContact O-CB 3.44Å; F365-L368 PolarHBondContact O-N 2.93Å; F365-L368 VanDerWaalsContact O-N 3.08Å; F365-F371 HydrophobicContact CB-CB 4.2Å; F365-F371 HydrophobicContact CD1-CD1 4.37Å; F365-F371 HydrophobicContact CD1-CD2 4.35Å; F365-F371 HydrophobicContact CD1-CE1 4.5Å; F365-F371 HydrophobicContact CD1-CE2 4.47Å; F365-F371 HydrophobicContact CD1-CG 4.26Å; F365-V375 HydrophobicContact CB-CG2 4.19Å
366	V	91.4	Very high	93.2	Very high	71 Å²	71	56.1 Å²	56.1	43%	0.43	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.1	130.3	177.3	175.3	0	0	0	0	109.4	A363 L368 V375 F379	A363-V366 WeakPolarHBondContact O-CB 3.49Å; A363-V366 PolarHBondContact O-N 2.77Å; V366-L368 PolarHBondContact O-N 3.39Å; V366-V375 HydrophobicContact CG2-CG1 3.93Å; V366-F379 HydrophobicContact CG2-CE2 4.47Å
367	G	87.3	Confident	93	Very high	64 Å²	64	54.6 Å²	54.6	66%	0.66	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	80.1	-5.3	-176.3	0	0	0	0	0	114.9	F365	F365-G367 PolarHBondContact O-N 3.43Å
368	L	89.9	Confident	92.9	Very high	56 Å²	56	52.9 Å²	52.9	29%	0.293	29%	0.294	S	S	.	.	S	Bend	trans	-78.2	134.5	169.7	-60.5	-174.5	0	0	0	110.2	K330 F365 V366 G370 F371	K330-L368 HydrophobicContact CB-CD1 4.25Å; K330-L368 HydrophobicContact CD-CD1 3.97Å; K330-L368 HydrophobicContact CG-CD1 4.14Å; F365-L368 HydrophobicContact CD1-CD1 4.18Å; F365-L368 WeakPolarHBondContact O-CB 3.44Å; F365-L368 PolarHBondContact O-N 2.93Å; F365-L368 VanDerWaalsContact O-N 3.08Å; V366-L368 PolarHBondContact O-N 3.39Å; L368-G370 PolarHBondContact O-N 3.21Å; L368-F371 HydrophobicContact CB-CD2 3.65Å; L368-F371 HydrophobicContact CB-CE2 4.22Å; L368-F371 HydrophobicContact CD1-CD2 4.45Å; L368-F371 HydrophobicContact CD1-CE2 4.49Å; L368-F371 PolarHBondContact O-N 2.78Å
369	T	87.2	Confident	92.9	Very high	143 Å²	143	56 Å²	56	88%	0.877	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.6	129.8	-178.9	-47.7	0	0	0	0	110.7
370	G	87.3	Confident	92.8	Very high	29 Å²	29	48.8 Å²	48.8	30%	0.299	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	91.5	-3.1	175.5	0	0	0	0	0	115.8	L30 R34 L368	L30-G370 WeakPolarHBondContact CD1-O 3.48Å; R34-G370 PolarHBondContact NH2-O 3.5Å; L368-G370 PolarHBondContact O-N 3.21Å
371	F	93.3	Very high	92.8	Very high	17 Å²	17	43.4 Å²	43.4	8%	0.075	26%	0.258	C	S	.	.	T	Hydrogen-bonded Turn	trans	-112.3	-26.3	177.1	-58.1	-75.3	0	0	0	113.8	L30 V332 F335 F365 L368 D373 I374 V375	L30-F371 HydrophobicContact CD1-CD1 3.88Å; L30-F371 HydrophobicContact CD1-CE1 3.73Å; V332-F371 HydrophobicContact CG2-CE1 3.96Å; V332-F371 HydrophobicContact CG2-CZ 3.96Å; F335-F371 HydrophobicContact CB-CD1 4.09Å; F335-F371 HydrophobicContact CB-CE1 3.84Å; F335-F371 AromaticContact CD1-CD1 3.45Å; F335-F371 HydrophobicContact CD1-CD1 3.45Å; F335-F371 VanDerWaalsContact CD1-CD1 3.45Å; F335-F371 AromaticContact CD1-CE1 3.79Å; F335-F371 HydrophobicContact CD1-CE1 3.79Å; F335-F371 HydrophobicContact CD2-CB 4.44Å; F335-F371 AromaticContact CD2-CD1 3.77Å; F335-F371 HydrophobicContact CD2-CD1 3.77Å; F335-F371 HydrophobicContact CD2-CE1 4.37Å; F335-F371 HydrophobicContact CD2-CG 4.35Å; F335-F371 AromaticContact CE1-CD1 3.69Å; F335-F371 HydrophobicContact CE1-CD1 3.69Å; F335-F371 HydrophobicContact CE1-CE1 4.45Å; F335-F371 HydrophobicContact CE2-CB 4.01Å; F335-F371 AromaticContact CE2-CD1 3.99Å; F335-F371 HydrophobicContact CE2-CD1 3.99Å; F335-F371 HydrophobicContact CE2-CG 4.37Å; F335-F371 AromaticContact CG-CD1 3.46Å; F335-F371 HydrophobicContact CG-CD1 3.46Å; F335-F371 VanDerWaalsContact CG-CD1 3.46Å; F335-F371 AromaticContact CG-CE1 3.72Å; F335-F371 HydrophobicContact CG-CE1 3.72Å; F335-F371 HydrophobicContact CG-CG 4.44Å; F335-F371 HydrophobicContact CZ-CB 4.08Å; F335-F371 AromaticContact CZ-CD1 3.94Å; F335-F371 HydrophobicContact CZ-CD1 3.94Å; F335-F371 HydrophobicContact CZ-CG 4.49Å; F365-F371 HydrophobicContact CB-CB 4.2Å; F365-F371 HydrophobicContact CD1-CD1 4.37Å; F365-F371 HydrophobicContact CD1-CD2 4.35Å; F365-F371 HydrophobicContact CD1-CE1 4.5Å; F365-F371 HydrophobicContact CD1-CE2 4.47Å; F365-F371 HydrophobicContact CD1-CG 4.26Å; L368-F371 HydrophobicContact CB-CD2 3.65Å; L368-F371 HydrophobicContact CB-CE2 4.22Å; L368-F371 HydrophobicContact CD1-CD2 4.45Å; L368-F371 HydrophobicContact CD1-CE2 4.49Å; L368-F371 PolarHBondContact O-N 2.78Å; F371-D373 VanDerWaalsContact C-N 3.35Å; F371-D373 PolarHBondContact O-N 3.09Å; F371-I374 PolarHBondContact O-N 3.4Å; F371-I374 VanDerWaalsContact O-N 3.07Å; F371-V375 WeakPolarHBondContact O-CG2 3.43Å; F371-V375 PolarHBondContact O-N 2.88Å
372	Q	91.7	Very high	92.7	Very high	61 Å²	61	44.5 Å²	44.5	29%	0.285	27%	0.265	S	S	.	.	H	α-helix	trans	-52.6	-46.2	-167.7	-174.3	64.8	27.4	0	0	114	I374 V375 E376	Q372-I374 VanDerWaalsContact C-N 3.34Å; Q372-I374 PolarHBondContact O-N 3.29Å; Q372-V375 PolarHBondContact O-N 3.28Å; Q372-E376 WeakPolarHBondContact CG-OE1 3.35Å; Q372-E376 PolarHBondContact NE2-OE1 2.83Å; Q372-E376 WeakPolarHBondContact O-CB 3.16Å; Q372-E376 WeakPolarHBondContact O-CG 3.41Å; Q372-E376 PolarHBondContact O-N 2.79Å
373	D	91.9	Very high	92.6	Very high	61 Å²	61	48.6 Å²	48.6	33%	0.326	30%	0.299	S	S	.	.	H	α-helix	trans	-62.4	-41.2	-179.1	57.6	-42.8	0	0	0	112.1	R34 F371 D377	R34-D373 IonicContact CZ-OD1 3.4Å; R34-D373 IonicContact CZ-OD2 3.34Å; R34-D373 IonicContact NE-OD1 2.78Å; R34-D373 IonicContact NE-OD2 2.94Å; R34-D373 PolarHBondContact NE-OD2 2.9Å; R34-D373 IonicContact NH2-OD1 3.6Å; R34-D373 PolarHBondContact NH2-OD1 2.85Å; R34-D373 IonicContact NH2-OD2 2.68Å; R34-D373 PolarHBondContact NH2-OD2 3.33Å; F371-D373 VanDerWaalsContact C-N 3.35Å; F371-D373 PolarHBondContact O-N 3.09Å; D373-D377 PolarHBondContact O-N 3.39Å
374	I	94.4	Very high	92.6	Very high	3 Å²	3	51.1 Å²	51.1	2%	0.015	30%	0.299	C	S	.	.	H	α-helix	trans	-72	-36.4	178.8	-62.8	168.9	0	0	0	111	L30 I33 F335 F371 Q372 D377 C378 F395	L30-I374 HydrophobicContact CB-CD1 3.94Å; L30-I374 HydrophobicContact CD2-CD1 3.84Å; L30-I374 HydrophobicContact CG-CD1 4.39Å; I33-I374 HydrophobicContact CB-CD1 4.32Å; I33-I374 HydrophobicContact CD1-CD1 4.37Å; I33-I374 HydrophobicContact CG2-CD1 4.26Å; I33-I374 HydrophobicContact CG2-CG1 4.23Å; F335-I374 HydrophobicContact CE1-CB 4.14Å; F335-I374 HydrophobicContact CE1-CD1 4.28Å; F335-I374 HydrophobicContact CE1-CG2 3.75Å; F335-I374 HydrophobicContact CZ-CB 3.87Å; F335-I374 HydrophobicContact CZ-CG2 3.63Å; F371-I374 PolarHBondContact O-N 3.4Å; F371-I374 VanDerWaalsContact O-N 3.07Å; Q372-I374 VanDerWaalsContact C-N 3.34Å; Q372-I374 PolarHBondContact O-N 3.29Å; I374-D377 PolarHBondContact O-N 2.83Å; I374-C378 WeakPolarHBondContact O-CB 3.27Å; I374-C378 PolarHBondContact O-N 3.44Å; I374-C378 PolarHBondContact O-SG 2.75Å; I374-F395 HydrophobicContact CG2-CE1 4.14Å; I374-F395 HydrophobicContact CG2-CZ 3.9Å
375	V	95.6	Very high	92.4	Very high	1 Å²	1	57.3 Å²	57.3	1%	0.006	33%	0.33	C	S	.	.	H	α-helix	trans	-63.7	-46.3	175.1	173.9	0	0	0	0	110.9	F335 F365 V366 F371 Q372 C378 F379	F335-V375 HydrophobicContact CE2-CG2 3.51Å; F335-V375 HydrophobicContact CZ-CG2 3.96Å; F365-V375 HydrophobicContact CB-CG2 4.19Å; V366-V375 HydrophobicContact CG2-CG1 3.93Å; F371-V375 WeakPolarHBondContact O-CG2 3.43Å; F371-V375 PolarHBondContact O-N 2.88Å; Q372-V375 PolarHBondContact O-N 3.28Å; V375-C378 WeakPolarHBondContact O-CB 3.38Å; V375-C378 PolarHBondContact O-N 2.9Å; V375-F379 HydrophobicContact CG1-CD2 3.83Å; V375-F379 HydrophobicContact CG1-CE1 4.47Å; V375-F379 HydrophobicContact CG1-CE2 3.36Å; V375-F379 HydrophobicContact CG1-CZ 3.73Å; V375-F379 WeakPolarHBondContact O-CG 3.26Å; V375-F379 PolarHBondContact O-N 2.99Å
376	E	93.7	Very high	92.3	Very high	106 Å²	106	62.2 Å²	62.2	50%	0.495	35%	0.351	S	S	.	.	H	α-helix	trans	-60.4	-45	177.3	-74.8	172.8	-177.8	0	0	111.3	Q372 C378 F379 A380	Q372-E376 WeakPolarHBondContact CG-OE1 3.35Å; Q372-E376 PolarHBondContact NE2-OE1 2.83Å; Q372-E376 WeakPolarHBondContact O-CB 3.16Å; Q372-E376 WeakPolarHBondContact O-CG 3.41Å; Q372-E376 PolarHBondContact O-N 2.79Å; E376-C378 PolarHBondContact O-N 2.93Å; E376-F379 PolarHBondContact O-N 2.88Å; E376-A380 WeakPolarHBondContact O-CB 3.36Å; E376-A380 PolarHBondContact O-N 3.27Å
377	D	93.8	Very high	92.4	Very high	52 Å²	52	59.8 Å²	59.8	28%	0.278	34%	0.336	S	S	.	.	H	α-helix	trans	-65.4	-38.3	176.5	-77.7	-2.8	0	0	0	112.3	D373 I374 A380 L381 V392 Y394 F395	D373-D377 PolarHBondContact O-N 3.39Å; I374-D377 PolarHBondContact O-N 2.83Å; D377-A380 WeakPolarHBondContact O-CB 3.19Å; D377-A380 PolarHBondContact O-N 2.83Å; D377-L381 PolarHBondContact O-N 2.86Å; D377-V392 HydrophobicContact CB-CB 4.36Å; D377-V392 HydrophobicContact CB-CG1 3.69Å; D377-Y394 PolarHBondContact OD2-OH 2.55Å; D377-F395 HydrophobicContact CB-CD2 4.39Å; D377-F395 HydrophobicContact CB-CE2 3.55Å; D377-F395 HydrophobicContact CB-CZ 4.31Å
378	C	95	Very high	92.6	Very high	0 Å²	0	62.1 Å²	62.1	0%	0	33%	0.33	C	S	.	.	H	α-helix	trans	-59	-49.8	172.5	-72.4	0	0	0	0	110.4	F342 L362 I374 V375 E376 A380 L381	F342-C378 HydrophobicContact CD1-CB 4.16Å; F342-C378 HydrophobicContact CE1-CB 4.27Å; F342-C378 WeakPolarHBondContact CE1-O 3.3Å; L362-C378 HydrophobicContact CD2-CB 4.04Å; I374-C378 WeakPolarHBondContact O-CB 3.27Å; I374-C378 PolarHBondContact O-N 3.44Å; I374-C378 PolarHBondContact O-SG 2.75Å; V375-C378 WeakPolarHBondContact O-CB 3.38Å; V375-C378 PolarHBondContact O-N 2.9Å; E376-C378 PolarHBondContact O-N 2.93Å; C378-A380 VanDerWaalsContact C-N 3.27Å; C378-A380 PolarHBondContact O-N 3.36Å; C378-L381 VanDerWaalsContact O-CB 3.31Å; C378-L381 WeakPolarHBondContact O-CB 3.41Å; C378-L381 PolarHBondContact O-N 2.83Å; C378-L381 VanDerWaalsContact O-N 3.16Å
379	F	95.4	Very high	92.7	Very high	69 Å²	69	65.7 Å²	65.7	30%	0.303	35%	0.345	S	S	.	.	H	α-helix	trans	-64.4	-31.6	178.9	-66.7	-23.4	0	0	0	113	F342 L362 V366 V375 E376 L381 L382	F342-F379 HydrophobicContact CE1-CD1 4.43Å; F342-F379 HydrophobicContact CE2-CD1 4.12Å; F342-F379 HydrophobicContact CE2-CE1 4.23Å; F342-F379 AromaticContact CZ-CD1 3.86Å; F342-F379 HydrophobicContact CZ-CD1 3.86Å; F342-F379 HydrophobicContact CZ-CE1 4.42Å; L362-F379 HydrophobicContact CB-CE1 3.93Å; L362-F379 HydrophobicContact CB-CZ 3.89Å; L362-F379 HydrophobicContact CD2-CD1 4.3Å; L362-F379 HydrophobicContact CD2-CE1 3.7Å; L362-F379 HydrophobicContact CD2-CZ 4.32Å; L362-F379 HydrophobicContact CG-CE1 4.47Å; V366-F379 HydrophobicContact CG2-CE2 4.47Å; V375-F379 HydrophobicContact CG1-CD2 3.83Å; V375-F379 HydrophobicContact CG1-CE1 4.47Å; V375-F379 HydrophobicContact CG1-CE2 3.36Å; V375-F379 HydrophobicContact CG1-CZ 3.73Å; V375-F379 WeakPolarHBondContact O-CG 3.26Å; V375-F379 PolarHBondContact O-N 2.99Å; E376-F379 PolarHBondContact O-N 2.88Å; F379-L381 PolarHBondContact O-N 2.86Å; F379-L382 WeakPolarHBondContact O-CB 3.25Å; F379-L382 PolarHBondContact O-N 2.69Å
380	A	94.9	Very high	93	Very high	30 Å²	30	59.1 Å²	59.1	25%	0.248	31%	0.305	C	S	.	.	H	α-helix	trans	-59.8	-27	175.8	0	0	0	0	0	112.5	E376 D377 C378 L382 A383 Y384 V392	E376-A380 WeakPolarHBondContact O-CB 3.36Å; E376-A380 PolarHBondContact O-N 3.27Å; D377-A380 WeakPolarHBondContact O-CB 3.19Å; D377-A380 PolarHBondContact O-N 2.83Å; C378-A380 VanDerWaalsContact C-N 3.27Å; C378-A380 PolarHBondContact O-N 3.36Å; A380-L382 PolarHBondContact O-N 3.29Å; A380-A383 WeakPolarHBondContact O-CB 3.39Å; A380-A383 PolarHBondContact O-N 3.35Å; A380-Y384 VanDerWaalsContact O-CD2 3.25Å; A380-Y384 WeakPolarHBondContact O-CD2 3.46Å; A380-V392 HydrophobicContact CB-CG2 4.04Å
381	L	95.2	Very high	93.1	Very high	0 Å²	0	61.9 Å²	61.9	0%	0	32%	0.32	C	S	.	.	G	3₁₀ helix	trans	-58.5	-27.9	174.3	-67.9	166	0	0	0	113.2	I343 V346 D377 C378 F379 A383 P387 V392 F395 L396	I343-L381 HydrophobicContact CG1-CD1 4.07Å; V346-L381 HydrophobicContact CG1-CB 4.04Å; D377-L381 PolarHBondContact O-N 2.86Å; C378-L381 VanDerWaalsContact O-CB 3.31Å; C378-L381 WeakPolarHBondContact O-CB 3.41Å; C378-L381 PolarHBondContact O-N 2.83Å; C378-L381 VanDerWaalsContact O-N 3.16Å; F379-L381 PolarHBondContact O-N 2.86Å; L381-A383 VanDerWaalsContact C-N 3.27Å; L381-A383 PolarHBondContact O-N 3.46Å; L381-P387 HydrophobicContact CD2-CB 4.14Å; L381-V392 HydrophobicContact CD2-CG2 3.71Å; L381-V392 HydrophobicContact CG-CG2 3.88Å; L381-F395 HydrophobicContact CD1-CB 4.11Å; L381-L396 HydrophobicContact CD2-CD1 4.08Å; L381-L396 HydrophobicContact CD2-CG 4.2Å
382	L	93.6	Very high	93.1	Very high	57 Å²	57	61.2 Å²	61.2	30%	0.298	32%	0.317	S	S	.	.	G	3₁₀ helix	trans	-74.8	-16.1	176.7	-67.9	174.2	0	0	0	113.4	F342 V346 L351 V355 F379 A380 Y384	F342-L382 HydrophobicContact CE2-CD1 4.06Å; F342-L382 HydrophobicContact CZ-CD1 3.59Å; F342-L382 HydrophobicContact CZ-CD2 4.32Å; F342-L382 HydrophobicContact CZ-CG 3.76Å; V346-L382 HydrophobicContact CG2-CD2 3.68Å; V346-L382 HydrophobicContact CG2-CG 4.28Å; L351-L382 HydrophobicContact CD2-CD2 3.86Å; V355-L382 HydrophobicContact CG2-CD1 3.82Å; F379-L382 WeakPolarHBondContact O-CB 3.25Å; F379-L382 PolarHBondContact O-N 2.69Å; A380-L382 PolarHBondContact O-N 3.29Å; L382-Y384 VanDerWaalsContact C-N 3.27Å; L382-Y384 PolarHBondContact O-N 3.44Å
383	A	92.3	Very high	93.1	Very high	86 Å²	86	63.6 Å²	63.6	71%	0.711	32%	0.324	S	S	*	.	G	3₁₀ helix	trans	-81.2	-6.9	-176.9	0	0	0	0	0	113.3	A380 L381	A380-A383 WeakPolarHBondContact O-CB 3.39Å; A380-A383 PolarHBondContact O-N 3.35Å; L381-A383 VanDerWaalsContact C-N 3.27Å; L381-A383 PolarHBondContact O-N 3.46Å
384	Y	92.4	Very high	93.1	Very high	97 Å²	97	61.6 Å²	61.6	38%	0.38	31%	0.312	S	S	.	.			trans	-114	134.4	-176.5	-64.9	-98.4	0	0	0	110.5	A380 L382 K386	A380-Y384 VanDerWaalsContact O-CD2 3.25Å; A380-Y384 WeakPolarHBondContact O-CD2 3.46Å; L382-Y384 VanDerWaalsContact C-N 3.27Å; L382-Y384 PolarHBondContact O-N 3.44Å; Y384-K386 PolarHBondContact O-N 2.95Å
385	E	89.6	Confident	93.1	Very high	201 Å²	201	61.5 Å²	61.5	94%	0.939	31%	0.311	S	S	*	.	S	Bend	trans	-60	-33.3	172.9	-67.6	-175.7	173.8	0	0	111.9
386	K	92.6	Very high	93	Very high	103 Å²	103	62.4 Å²	62.4	45%	0.448	32%	0.316	S	S	.	.	S	Bend	trans	-122.9	95.6	173.7	-69.9	-179.2	-175.1	179.2	0	109.5	Y384 E388 E389	Y384-K386 PolarHBondContact O-N 2.95Å; K386-E388 PolarHBondContact O-N 3.36Å; K386-E388 VanDerWaalsContact O-N 3.11Å; K386-E389 HydrophobicContact CB-CB 4.31Å; K386-E389 HydrophobicContact CB-CG 4.09Å; K386-E389 VanDerWaalsContact CD-CD 3.44Å; K386-E389 HydrophobicContact CD-CG 4.23Å; K386-E389 WeakPolarHBondContact CD-OE1 3.4Å; K386-E389 IonicContact NZ-OE1 2.76Å; K386-E389 PolarHBondContact NZ-OE1 2.82Å; K386-E389 PolarHBondContact O-N 2.82Å
387	P	93.6	Very high	93	Very high	19 Å²	19	59.7 Å²	59.7	12%	0.123	30%	0.303	C	S	.	.	G	3₁₀ helix	trans	-55.6	-27.8	-177.6	-29.3	38.1	0	0	0	114.2	V346 L381 E389 S390 L396	V346-P387 HydrophobicContact CG1-CB 4.09Å; V346-P387 HydrophobicContact CG1-CG 3.69Å; L381-P387 HydrophobicContact CD2-CB 4.14Å; P387-E389 VanDerWaalsContact C-N 3.26Å; P387-E389 PolarHBondContact O-N 3.11Å; P387-S390 VanDerWaalsContact O-CB 3.23Å; P387-S390 WeakPolarHBondContact O-CB 3.07Å; P387-S390 PolarHBondContact O-N 2.88Å; P387-S390 PolarHBondContact O-OG 3.44Å; P387-L396 HydrophobicContact CB-CD1 3.59Å; P387-L396 WeakPolarHBondContact O-CD1 3.25Å
388	E	91.1	Very high	93	Very high	113 Å²	113	62.1 Å²	62.1	53%	0.528	32%	0.316	S	S	.	.	G	3₁₀ helix	trans	-68.6	-18.8	175.7	68.7	-83.6	-163.1	0	0	114.4	K386 W393 L396	K386-E388 PolarHBondContact O-N 3.36Å; K386-E388 VanDerWaalsContact O-N 3.11Å; E388-W393 VanDerWaalsContact O-CB 3.27Å; E388-W393 WeakPolarHBondContact O-CB 3.26Å; E388-L396 HydrophobicContact CB-CD1 4.34Å
389	E	92.6	Very high	92.8	Very high	132 Å²	132	64 Å²	64	62%	0.617	33%	0.329	S	S	*	.	G	3₁₀ helix	trans	-96.1	1.7	175	-61.8	-179.8	-171.5	0	0	111.9	K386 P387	K386-E389 HydrophobicContact CB-CB 4.31Å; K386-E389 HydrophobicContact CB-CG 4.09Å; K386-E389 VanDerWaalsContact CD-CD 3.44Å; K386-E389 HydrophobicContact CD-CG 4.23Å; K386-E389 WeakPolarHBondContact CD-OE1 3.4Å; K386-E389 IonicContact NZ-OE1 2.76Å; K386-E389 PolarHBondContact NZ-OE1 2.82Å; K386-E389 PolarHBondContact O-N 2.82Å; P387-E389 VanDerWaalsContact C-N 3.26Å; P387-E389 PolarHBondContact O-N 3.11Å
390	S	92.7	Very high	92.8	Very high	4 Å²	4	60.8 Å²	60.8	3%	0.028	32%	0.315	C	S	.	.	S	Bend	trans	-73.7	165.2	179.8	73.3	0	0	0	0	112.5	P387 V392 W393	P387-S390 VanDerWaalsContact O-CB 3.23Å; P387-S390 WeakPolarHBondContact O-CB 3.07Å; P387-S390 PolarHBondContact O-N 2.88Å; P387-S390 PolarHBondContact O-OG 3.44Å; S390-V392 PolarHBondContact O-N 2.94Å; S390-V392 WeakPolarHBondContact OG-CG2 3.5Å; S390-V392 PolarHBondContact OG-N 2.84Å; S390-W393 WeakPolarHBondContact O-CB 3.34Å; S390-W393 PolarHBondContact O-N 2.96Å; S390-W393 PolarHBondContact OG-N 3.39Å
391	S	90.6	Very high	92.9	Very high	87 Å²	87	61 Å²	61	61%	0.608	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.4	-14.3	170.9	56.1	0	0	0	0	113.7
392	V	92.3	Very high	93	Very high	4 Å²	4	64.2 Å²	64.2	2%	0.024	32%	0.324	C	S	.	.	T	Hydrogen-bonded Turn	trans	-109.4	17.1	-177.8	-66.7	0	0	0	0	111.8	D377 A380 L381 S390 Y394 F395	D377-V392 HydrophobicContact CB-CB 4.36Å; D377-V392 HydrophobicContact CB-CG1 3.69Å; A380-V392 HydrophobicContact CB-CG2 4.04Å; L381-V392 HydrophobicContact CD2-CG2 3.71Å; L381-V392 HydrophobicContact CG-CG2 3.88Å; S390-V392 PolarHBondContact O-N 2.94Å; S390-V392 WeakPolarHBondContact OG-CG2 3.5Å; S390-V392 PolarHBondContact OG-N 2.84Å; V392-Y394 HydrophobicContact CB-CE1 4.25Å; V392-Y394 HydrophobicContact CG1-CE1 4.32Å; V392-Y394 PolarHBondContact O-N 3.19Å; V392-F395 HydrophobicContact CB-CD2 4.26Å; V392-F395 PolarHBondContact O-N 3.18Å; V392-F395 VanDerWaalsContact O-N 3.16Å
393	W	92.9	Very high	93.1	Very high	111 Å²	111	62.3 Å²	62.3	42%	0.42	32%	0.315	S	S	.	.	G	3₁₀ helix	trans	-56.2	-23.8	-177.7	71	-88	0	0	0	113.6	E388 S390 F395 L396 E397	E388-W393 VanDerWaalsContact O-CB 3.27Å; E388-W393 WeakPolarHBondContact O-CB 3.26Å; S390-W393 WeakPolarHBondContact O-CB 3.34Å; S390-W393 PolarHBondContact O-N 2.96Å; S390-W393 PolarHBondContact OG-N 3.39Å; W393-F395 PolarHBondContact O-N 2.94Å; W393-F395 VanDerWaalsContact O-N 3.16Å; W393-L396 WeakPolarHBondContact O-CA 3.26Å; W393-L396 VanDerWaalsContact O-CB 3.27Å; W393-L396 WeakPolarHBondContact O-CB 3.38Å; W393-L396 PolarHBondContact O-N 3.06Å; W393-E397 HydrophobicContact CE3-CG 4.24Å; W393-E397 WeakPolarHBondContact CH2-OE1 3.43Å; W393-E397 HydrophobicContact CZ3-CG 3.7Å; W393-E397 WeakPolarHBondContact CZ3-OE1 3.36Å
394	Y	90.5	Very high	93.3	Very high	19 Å²	19	58.2 Å²	58.2	8%	0.075	28%	0.281	C	S	.	.	G	3₁₀ helix	trans	-59.4	-24.6	178.8	62.9	-97.4	0	0	0	113.3	I33 A37 D377 V392 L396 E397	I33-Y394 HydrophobicContact CG2-CE2 4.47Å; A37-Y394 HydrophobicContact CB-CD1 4.5Å; A37-Y394 HydrophobicContact CB-CE1 3.74Å; A37-Y394 HydrophobicContact CB-CE2 4.05Å; A37-Y394 VanDerWaalsContact CB-CZ 3.48Å; A37-Y394 WeakPolarHBondContact CB-OH 3.34Å; D377-Y394 PolarHBondContact OD2-OH 2.55Å; V392-Y394 HydrophobicContact CB-CE1 4.25Å; V392-Y394 HydrophobicContact CG1-CE1 4.32Å; V392-Y394 PolarHBondContact O-N 3.19Å; Y394-L396 PolarHBondContact O-N 3.07Å; Y394-E397 WeakPolarHBondContact O-CB 3.27Å; Y394-E397 PolarHBondContact O-N 2.78Å
395	F	94.3	Very high	93.6	Very high	0 Å²	0	53.7 Å²	53.7	0%	0	26%	0.263	C	S	.	.	G	3₁₀ helix	trans	-64	-23.5	171.1	-81.8	-68.2	0	0	0	113	I33 I343 I374 D377 L381 V392 W393 E397 Q400	I33-F395 HydrophobicContact CG2-CE1 3.52Å; I33-F395 HydrophobicContact CG2-CZ 3.51Å; I343-F395 HydrophobicContact CD1-CB 3.92Å; I343-F395 HydrophobicContact CD1-CD1 3.59Å; I343-F395 HydrophobicContact CD1-CE1 4.46Å; I343-F395 HydrophobicContact CD1-CG 4.03Å; I343-F395 HydrophobicContact CG1-CB 4.35Å; I343-F395 WeakPolarHBondContact CG2-O 3.44Å; I374-F395 HydrophobicContact CG2-CE1 4.14Å; I374-F395 HydrophobicContact CG2-CZ 3.9Å; D377-F395 HydrophobicContact CB-CD2 4.39Å; D377-F395 HydrophobicContact CB-CE2 3.55Å; D377-F395 HydrophobicContact CB-CZ 4.31Å; L381-F395 HydrophobicContact CD1-CB 4.11Å; V392-F395 HydrophobicContact CB-CD2 4.26Å; V392-F395 PolarHBondContact O-N 3.18Å; V392-F395 VanDerWaalsContact O-N 3.16Å; W393-F395 PolarHBondContact O-N 2.94Å; W393-F395 VanDerWaalsContact O-N 3.16Å; F395-E397 VanDerWaalsContact C-N 3.33Å; F395-Q400 HydrophobicContact CD1-CG 4.06Å; F395-Q400 WeakPolarHBondContact O-CB 3.5Å
396	L	94.4	Very high	93.9	Very high	20 Å²	20	45.2 Å²	45.2	11%	0.105	22%	0.224	C	C	.	.	G	3₁₀ helix	trans	-86.6	-1.9	178.5	-56.9	165.4	0	0	0	112.3	I343 R347 L381 P387 E388 W393 Y394	I343-L396 HydrophobicContact CG2-CD2 3.92Å; R347-L396 HydrophobicContact CB-CD2 4.16Å; R347-L396 PolarHBondContact NH1-O 2.97Å; R347-L396 VanDerWaalsContact NH2-CA 3.27Å; R347-L396 PolarHBondContact NH2-O 3.24Å; L381-L396 HydrophobicContact CD2-CD1 4.08Å; L381-L396 HydrophobicContact CD2-CG 4.2Å; P387-L396 HydrophobicContact CB-CD1 3.59Å; P387-L396 WeakPolarHBondContact O-CD1 3.25Å; E388-L396 HydrophobicContact CB-CD1 4.34Å; W393-L396 WeakPolarHBondContact O-CA 3.26Å; W393-L396 VanDerWaalsContact O-CB 3.27Å; W393-L396 WeakPolarHBondContact O-CB 3.38Å; W393-L396 PolarHBondContact O-N 3.06Å; Y394-L396 PolarHBondContact O-N 3.07Å
397	E	93.1	Very high	94	Very high	49 Å²	49	40.3 Å²	40.3	23%	0.229	20%	0.203	C	C	.	.	S	Bend	trans	-72.7	152.5	173.2	-66.5	-172.3	154	0	0	112	R39 W393 Y394 F395 S399 Q400	R39-E397 IonicContact CZ-OE2 3.56Å; R39-E397 IonicContact NH1-OE1 2.99Å; R39-E397 IonicContact NH1-OE2 3.51Å; R39-E397 PolarHBondContact NH1-OE2 3.36Å; W393-E397 HydrophobicContact CE3-CG 4.24Å; W393-E397 WeakPolarHBondContact CH2-OE1 3.43Å; W393-E397 HydrophobicContact CZ3-CG 3.7Å; W393-E397 WeakPolarHBondContact CZ3-OE1 3.36Å; Y394-E397 WeakPolarHBondContact O-CB 3.27Å; Y394-E397 PolarHBondContact O-N 2.78Å; F395-E397 VanDerWaalsContact C-N 3.33Å; E397-S399 PolarHBondContact O-N 2.74Å; E397-S399 PolarHBondContact OE2-OG 2.93Å; E397-Q400 WeakPolarHBondContact O-CB 3.5Å; E397-Q400 PolarHBondContact O-N 2.98Å; E397-Q400 VanDerWaalsContact O-N 3.14Å
398	D	93.1	Very high	94.2	Very high	104 Å²	104	39.5 Å²	39.5	56%	0.556	20%	0.198	S	C	*	.	H	α-helix	trans	-61	-24.9	170.5	-71.1	-35.9	0	0	0	112.3	Q400 R401 E402	D398-Q400 PolarHBondContact O-N 3.31Å; D398-R401 PolarHBondContact O-N 2.62Å; D398-R401 VanDerWaalsContact O-N 3.11Å; D398-R401 IonicContact OD1-NH1 2.69Å; D398-R401 PolarHBondContact OD1-NH1 2.81Å; D398-E402 PolarHBondContact O-N 2.88Å
399	S	92.4	Very high	94.4	Very high	39 Å²	39	34.2 Å²	34.2	27%	0.273	17%	0.173	S	C	.	.	H	α-helix	trans	-61.7	-28.3	177	79.3	0	0	0	0	113	R39 E397 E402 L403	R39-S399 PolarHBondContact NH2-OG 2.92Å; E397-S399 PolarHBondContact O-N 2.74Å; E397-S399 PolarHBondContact OE2-OG 2.93Å; S399-E402 PolarHBondContact O-N 2.94Å; S399-L403 PolarHBondContact O-N 3.24Å
400	Q	95.3	Very high	94.5	Very high	2 Å²	2	28 Å²	28	1%	0.009	14%	0.144	C	C	.	.	H	α-helix	trans	-69.1	-43.5	174.4	179.7	59.5	23.7	0	0	111.3	I343 F395 E397 D398 E402 L403 V404	I343-Q400 HydrophobicContact CD1-CG 4.41Å; F395-Q400 HydrophobicContact CD1-CG 4.06Å; F395-Q400 WeakPolarHBondContact O-CB 3.5Å; E397-Q400 WeakPolarHBondContact O-CB 3.5Å; E397-Q400 PolarHBondContact O-N 2.98Å; E397-Q400 VanDerWaalsContact O-N 3.14Å; D398-Q400 PolarHBondContact O-N 3.31Å; Q400-E402 VanDerWaalsContact C-N 3.3Å; Q400-E402 PolarHBondContact O-N 2.97Å; Q400-L403 WeakPolarHBondContact O-CB 3.35Å; Q400-L403 PolarHBondContact O-N 2.54Å; Q400-V404 WeakPolarHBondContact O-CG2 3.25Å; Q400-V404 PolarHBondContact O-N 2.84Å; Q400-V404 VanDerWaalsContact O-N 3.07Å
401	R	97.4	Very high	94.5	Very high	34 Å²	34	28 Å²	28	13%	0.128	15%	0.145	C	C	.	.	H	α-helix	trans	-63.3	-37.9	175.2	-66.5	179.2	-177	149.7	-17.9	111.7	V306 R307 E344 R347 D398 V404 A405	V306-R401 WeakPolarHBondContact CG1-O 3.31Å; R307-R401 VanDerWaalsContact O-CD 3.27Å; R307-R401 WeakPolarHBondContact O-CD 3.06Å; E344-R401 IonicContact OE1-CZ 3.18Å; E344-R401 IonicContact OE1-NE 3.62Å; E344-R401 PolarHBondContact OE1-NE 2.97Å; E344-R401 IonicContact OE1-NH2 3.5Å; E344-R401 PolarHBondContact OE1-NH2 3.07Å; E344-R401 IonicContact OE2-CZ 2.89Å; E344-R401 IonicContact OE2-NE 3.61Å; E344-R401 IonicContact OE2-NH2 2.79Å; E344-R401 PolarHBondContact OE2-NH2 3.42Å; R347-R401 VanDerWaalsContact NE-NH2 3.2Å; D398-R401 PolarHBondContact O-N 2.62Å; D398-R401 VanDerWaalsContact O-N 3.11Å; D398-R401 IonicContact OD1-NH1 2.69Å; D398-R401 PolarHBondContact OD1-NH1 2.81Å; R401-V404 PolarHBondContact O-N 3.07Å; R401-A405 WeakPolarHBondContact O-CB 3.28Å; R401-A405 PolarHBondContact O-N 3.26Å
402	E	95.8	Very high	94.6	Very high	67 Å²	67	23.9 Å²	23.9	31%	0.313	12%	0.116	S	C	.	.	H	α-helix	trans	-63.7	-41.5	175.7	-68.6	-173.8	163.8	0	0	112	R307 D398 S399 Q400 A405 D406	R307-E402 IonicContact CZ-OE1 2.74Å; R307-E402 IonicContact NE-OE1 2.97Å; R307-E402 IonicContact NH2-OE1 3.75Å; R307-E402 PolarHBondContact NH2-OE1 3.42Å; D398-E402 PolarHBondContact O-N 2.88Å; S399-E402 PolarHBondContact O-N 2.94Å; Q400-E402 VanDerWaalsContact C-N 3.3Å; Q400-E402 PolarHBondContact O-N 2.97Å; E402-A405 PolarHBondContact O-N 2.91Å; E402-D406 PolarHBondContact O-N 3.08Å
403	L	95.4	Very high	94.6	Very high	18 Å²	18	23.7 Å²	23.7	9%	0.094	12%	0.115	C	C	.	.	H	α-helix	trans	-60.9	-44.7	174.9	-176.1	158.7	0	0	0	112.1	F29 K32 I33 L336 S399 Q400 A405 D406 A407	F29-L403 HydrophobicContact CB-CD2 4.06Å; F29-L403 HydrophobicContact CD1-CD2 4.26Å; F29-L403 HydrophobicContact CD1-CG 4.32Å; K32-L403 HydrophobicContact CB-CD1 3.56Å; K32-L403 HydrophobicContact CB-CG 4.42Å; I33-L403 HydrophobicContact CD1-CD2 4.01Å; I33-L403 HydrophobicContact CG1-CD1 3.62Å; I33-L403 HydrophobicContact CG1-CD2 3.84Å; I33-L403 HydrophobicContact CG1-CG 4.42Å; L336-L403 HydrophobicContact CD2-CD2 4.3Å; S399-L403 PolarHBondContact O-N 3.24Å; Q400-L403 WeakPolarHBondContact O-CB 3.35Å; Q400-L403 PolarHBondContact O-N 2.54Å; L403-A405 VanDerWaalsContact C-N 3.35Å; L403-D406 WeakPolarHBondContact O-CB 3.39Å; L403-D406 PolarHBondContact O-N 2.92Å; L403-A407 PolarHBondContact O-N 3.28Å
404	V	97.7	Very high	94.4	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-65.5	-40.8	177.2	178.9	0	0	0	0	110.7	V306 L336 L337 Q340 Q400 R401 D406 A407 V408	V306-V404 HydrophobicContact CG1-CB 3.91Å; V306-V404 HydrophobicContact CG1-CG1 3.79Å; L336-V404 HydrophobicContact CB-CG1 4.28Å; L336-V404 HydrophobicContact CB-CG2 4.27Å; L337-V404 HydrophobicContact CD2-CG1 4.03Å; L337-V404 HydrophobicContact CG-CG1 4.46Å; Q340-V404 HydrophobicContact CB-CG1 4.34Å; Q340-V404 HydrophobicContact CB-CG2 4.22Å; Q340-V404 HydrophobicContact CG-CG2 4.47Å; Q400-V404 WeakPolarHBondContact O-CG2 3.25Å; Q400-V404 PolarHBondContact O-N 2.84Å; Q400-V404 VanDerWaalsContact O-N 3.07Å; R401-V404 PolarHBondContact O-N 3.07Å; V404-D406 VanDerWaalsContact C-N 3.3Å; V404-D406 PolarHBondContact O-N 2.83Å; V404-A407 PolarHBondContact O-N 2.9Å; V404-V408 WeakPolarHBondContact O-CG2 3.42Å; V404-V408 PolarHBondContact O-N 2.84Å
405	A	98.2	Very high	94.4	Very high	1 Å²	1	21.7 Å²	21.7	1%	0.008	12%	0.119	C	C	.	.	H	α-helix	trans	-63.9	-36	176	0	0	0	0	0	112.1	R303 V306 R307 R401 E402 L403 N409	R303-A405 HydrophobicContact CB-CB 4.39Å; R303-A405 HydrophobicContact CG-CB 4.01Å; R303-A405 VanDerWaalsContact NH1-CB 3.33Å; V306-A405 HydrophobicContact CB-CB 4.03Å; V306-A405 HydrophobicContact CG1-CB 3.88Å; R307-A405 HydrophobicContact CG-CB 4.46Å; R401-A405 WeakPolarHBondContact O-CB 3.28Å; R401-A405 PolarHBondContact O-N 3.26Å; E402-A405 PolarHBondContact O-N 2.91Å; L403-A405 VanDerWaalsContact C-N 3.35Å; A405-N409 VanDerWaalsContact O-CB 3.24Å; A405-N409 WeakPolarHBondContact O-CB 3.34Å; A405-N409 PolarHBondContact O-N 2.77Å
406	D	95.9	Very high	94.1	Very high	23 Å²	23	22.1 Å²	22.1	12%	0.123	12%	0.122	C	C	.	.	H	α-helix	trans	-65.5	-39.6	173.6	-68.8	-7.9	0	0	0	112.2	F29 Y259 R303 E402 L403 V404 N409 A410	F29-D406 HydrophobicContact CE1-CB 3.63Å; F29-D406 HydrophobicContact CZ-CB 4.26Å; Y259-D406 HydrophobicContact CD1-CB 4.42Å; Y259-D406 VanDerWaalsContact CD1-OD1 3.32Å; Y259-D406 WeakPolarHBondContact CD1-OD1 3.36Å; Y259-D406 HydrophobicContact CE1-CB 4.02Å; Y259-D406 VanDerWaalsContact CE1-CG 3.5Å; R303-D406 IonicContact CZ-OD1 2.66Å; R303-D406 IonicContact NH1-OD1 3.05Å; R303-D406 PolarHBondContact NH1-OD1 3.29Å; R303-D406 IonicContact NH2-OD1 2.64Å; R303-D406 PolarHBondContact NH2-OD1 3.31Å; E402-D406 PolarHBondContact O-N 3.08Å; L403-D406 WeakPolarHBondContact O-CB 3.39Å; L403-D406 PolarHBondContact O-N 2.92Å; V404-D406 VanDerWaalsContact C-N 3.3Å; V404-D406 PolarHBondContact O-N 2.83Å; D406-N409 PolarHBondContact O-N 2.84Å; D406-A410 WeakPolarHBondContact O-CB 3.29Å; D406-A410 PolarHBondContact O-N 2.95Å
407	A	95.7	Very high	93.6	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	15%	0.149	C	C	.	.	H	α-helix	trans	-64.9	-45	175.8	0	0	0	0	0	111.9	F29 L336 L403 V404 N409 A410 A411	F29-A407 HydrophobicContact CB-CB 4.34Å; F29-A407 HydrophobicContact CD1-CB 3.97Å; F29-A407 HydrophobicContact CD2-CB 3.7Å; F29-A407 HydrophobicContact CE1-CB 4.19Å; F29-A407 HydrophobicContact CE2-CB 3.94Å; F29-A407 HydrophobicContact CG-CB 3.74Å; F29-A407 HydrophobicContact CZ-CB 4.18Å; L336-A407 HydrophobicContact CD1-CB 3.48Å; L336-A407 VanDerWaalsContact CD1-CB 3.48Å; L403-A407 PolarHBondContact O-N 3.28Å; V404-A407 PolarHBondContact O-N 2.9Å; A407-N409 VanDerWaalsContact C-N 3.34Å; A407-N409 PolarHBondContact O-N 2.82Å; A407-A410 PolarHBondContact O-N 2.73Å; A407-A411 WeakPolarHBondContact O-CB 3.11Å; A407-A411 PolarHBondContact O-N 2.77Å
408	V	96.9	Very high	93	Very high	2 Å²	2	29.1 Å²	29.1	1%	0.012	17%	0.166	C	C	.	.	H	α-helix	trans	-61.4	-43.9	174.1	172.8	0	0	0	0	111	L302 V306 L318 V333 L337 V404 A410 A411 I412	L302-V408 HydrophobicContact CB-CG1 4.34Å; V306-V408 HydrophobicContact CG2-CG2 4.45Å; L318-V408 HydrophobicContact CD1-CG1 4.05Å; L318-V408 HydrophobicContact CD1-CG2 4.39Å; L318-V408 HydrophobicContact CD2-CG1 4.1Å; V333-V408 HydrophobicContact CG1-CG2 4.2Å; L337-V408 HydrophobicContact CD1-CG2 4.18Å; L337-V408 HydrophobicContact CD2-CG2 3.91Å; L337-V408 HydrophobicContact CG-CG2 4.18Å; V404-V408 WeakPolarHBondContact O-CG2 3.42Å; V404-V408 PolarHBondContact O-N 2.84Å; V408-A410 PolarHBondContact O-N 2.77Å; V408-A411 PolarHBondContact O-N 3.05Å; V408-I412 HydrophobicContact CG1-CD1 3.91Å; V408-I412 WeakPolarHBondContact O-CG1 3.42Å; V408-I412 PolarHBondContact O-N 3.41Å
409	N	96	Very high	91.9	Very high	3 Å²	3	26.5 Å²	26.5	2%	0.016	15%	0.15	C	C	.	.	H	α-helix	trans	-59.2	-47.9	176.5	175.3	85.1	0	0	0	111.9	H258 Y259 R299 A405 D406 A407 A411 I412 L413	H258-N409 PolarHBondContact O-ND2 3.3Å; H258-N409 PolarHBondContact O-OD1 2.85Å; Y259-N409 PolarHBondContact O-OD1 2.83Å; R299-N409 WeakPolarHBondContact CD-OD1 3.4Å; R299-N409 PolarHBondContact NH1-OD1 2.75Å; A405-N409 VanDerWaalsContact O-CB 3.24Å; A405-N409 WeakPolarHBondContact O-CB 3.34Å; A405-N409 PolarHBondContact O-N 2.77Å; D406-N409 PolarHBondContact O-N 2.84Å; A407-N409 VanDerWaalsContact C-N 3.34Å; A407-N409 PolarHBondContact O-N 2.82Å; N409-A411 VanDerWaalsContact C-N 3.33Å; N409-A411 PolarHBondContact O-N 3.44Å; N409-I412 PolarHBondContact O-N 2.75Å; N409-L413 WeakPolarHBondContact O-CG 3.33Å; N409-L413 PolarHBondContact O-N 2.87Å
410	A	93.2	Very high	90.6	Very high	1 Å²	1	32.1 Å²	32.1	1%	0.008	17%	0.169	C	C	.	.	H	α-helix	trans	-59.4	-44.3	176.7	0	0	0	0	0	111.5	F29 D406 A407 V408 I412 L413 S414 H427 L428	F29-A410 HydrophobicContact CE2-CB 3.94Å; F29-A410 HydrophobicContact CZ-CB 3.93Å; D406-A410 WeakPolarHBondContact O-CB 3.29Å; D406-A410 PolarHBondContact O-N 2.95Å; A407-A410 PolarHBondContact O-N 2.73Å; V408-A410 PolarHBondContact O-N 2.77Å; A410-I412 VanDerWaalsContact C-N 3.34Å; A410-I412 PolarHBondContact O-N 3.33Å; A410-L413 PolarHBondContact O-N 2.71Å; A410-S414 PolarHBondContact O-N 2.92Å; A410-H427 PolarHBondContact O-CD2 2.91Å; A410-L428 HydrophobicContact CB-CD2 4.26Å
411	A	93	Very high	88.8	Confident	4 Å²	4	37.6 Å²	37.6	3%	0.033	20%	0.199	C	C	.	.	H	α-helix	trans	-61.6	-38.8	176.7	0	0	0	0	0	112.8	I325 V333 A407 V408 N409 S414 T415	I325-A411 HydrophobicContact CD1-CB 4.07Å; I325-A411 WeakPolarHBondContact CD1-O 3.39Å; I325-A411 HydrophobicContact CG1-CB 4.38Å; I325-A411 HydrophobicContact CG2-CB 3.82Å; V333-A411 HydrophobicContact CG1-CB 4.31Å; V333-A411 HydrophobicContact CG2-CB 3.66Å; A407-A411 WeakPolarHBondContact O-CB 3.11Å; A407-A411 PolarHBondContact O-N 2.77Å; V408-A411 PolarHBondContact O-N 3.05Å; N409-A411 VanDerWaalsContact C-N 3.33Å; N409-A411 PolarHBondContact O-N 3.44Å; A411-S414 PolarHBondContact O-N 3.27Å; A411-S414 PolarHBondContact O-OG 2.84Å; A411-T415 WeakPolarHBondContact O-CG2 3.03Å
412	I	94.1	Very high	86.8	Confident	0 Å²	0	42.7 Å²	42.7	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-67.4	-45.8	175.5	-64.4	159.2	0	0	0	110.4	Y294 A295 R299 L302 L318 Y322 I325 V408 N409 A410 S414 T415	Y294-I412 HydrophobicContact CE1-CG2 4.15Å; Y294-I412 WeakPolarHBondContact CE1-O 3.34Å; A295-I412 HydrophobicContact CB-CG2 3.94Å; R299-I412 HydrophobicContact CG-CB 3.94Å; R299-I412 HydrophobicContact CG-CD1 3.85Å; R299-I412 HydrophobicContact CG-CG2 3.59Å; L302-I412 HydrophobicContact CB-CD1 4.49Å; L302-I412 HydrophobicContact CD1-CD1 3.46Å; L302-I412 VanDerWaalsContact CD1-CD1 3.46Å; L318-I412 HydrophobicContact CD2-CD1 4.35Å; L318-I412 HydrophobicContact CD2-CG1 4.32Å; Y322-I412 HydrophobicContact CD1-CG2 4.45Å; Y322-I412 HydrophobicContact CD2-CG1 4.12Å; Y322-I412 HydrophobicContact CE1-CG2 3.9Å; Y322-I412 HydrophobicContact CE2-CD1 4.34Å; Y322-I412 HydrophobicContact CE2-CG1 4.16Å; Y322-I412 HydrophobicContact CE2-CG2 4.1Å; Y322-I412 HydrophobicContact CG-CG1 4.5Å; I325-I412 HydrophobicContact CD1-CB 4.36Å; I325-I412 HydrophobicContact CD1-CG1 3.74Å; V408-I412 HydrophobicContact CG1-CD1 3.91Å; V408-I412 WeakPolarHBondContact O-CG1 3.42Å; V408-I412 PolarHBondContact O-N 3.41Å; N409-I412 PolarHBondContact O-N 2.75Å; A410-I412 VanDerWaalsContact C-N 3.34Å; A410-I412 PolarHBondContact O-N 3.33Å; I412-S414 PolarHBondContact O-N 3.03Å; I412-T415 WeakPolarHBondContact O-CB 3.39Å; I412-T415 PolarHBondContact O-N 2.75Å; I412-T415 PolarHBondContact O-OG1 3.04Å
413	L	91.6	Very high	84.9	Confident	1 Å²	1	43 Å²	43	1%	0.005	24%	0.235	C	C	.	.	H	α-helix	trans	-60.6	-26.9	177.5	-71.1	176.5	0	0	0	113.1	D291 N409 A410 T415 N416 K419 H427	D291-L413 WeakPolarHBondContact O-CD2 3.45Å; N409-L413 WeakPolarHBondContact O-CG 3.33Å; N409-L413 PolarHBondContact O-N 2.87Å; A410-L413 PolarHBondContact O-N 2.71Å; L413-T415 PolarHBondContact O-N 2.9Å; L413-N416 PolarHBondContact O-N 2.82Å; L413-K419 PolarHBondContact O-NZ 2.95Å; L413-H427 HydrophobicContact CB-CB 3.74Å; L413-H427 HydrophobicContact CD1-CB 4.27Å
414	S	88.3	Confident	83.1	Confident	60 Å²	60	49.1 Å²	49.1	42%	0.42	26%	0.257	S	S	.	.	H	α-helix	trans	-71.2	-17.6	175.2	83.5	0	0	0	0	113	A410 A411 I412	A410-S414 PolarHBondContact O-N 2.92Å; A411-S414 PolarHBondContact O-N 3.27Å; A411-S414 PolarHBondContact O-OG 2.84Å; I412-S414 PolarHBondContact O-N 3.03Å
415	T	89.8	Confident	81.4	Confident	27 Å²	27	53.1 Å²	53.1	17%	0.166	29%	0.285	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.3	0.6	177.3	72.3	0	0	0	0	114.4	Y294 Q324 I325 A411 I412 L413 P417	Y294-T415 WeakPolarHBondContact CE1-OG1 3.14Å; Y294-T415 PolarHBondContact OH-O 3.46Å; Y294-T415 PolarHBondContact OH-OG1 2.7Å; Q324-T415 HydrophobicContact CG-CG2 3.91Å; Q324-T415 VanDerWaalsContact NE2-CG2 3.28Å; I325-T415 HydrophobicContact CD1-CG2 3.9Å; I325-T415 HydrophobicContact CG1-CG2 3.8Å; A411-T415 WeakPolarHBondContact O-CG2 3.03Å; I412-T415 WeakPolarHBondContact O-CB 3.39Å; I412-T415 PolarHBondContact O-N 2.75Å; I412-T415 PolarHBondContact O-OG1 3.04Å; L413-T415 PolarHBondContact O-N 2.9Å; T415-P417 WeakPolarHBondContact O-CD 3.45Å
416	N	88.4	Confident	79.9	Confident	10 Å²	10	53.8 Å²	53.8	5%	0.053	29%	0.289	C	S	.	.			trans	-61.1	118.7	-178.4	-176.1	-1.9	0	0	0	111	D291 Y294 L413 N418 K419	D291-N416 WeakPolarHBondContact CA-ND2 3.49Å; D291-N416 PolarHBondContact OD1-ND2 2.85Å; Y294-N416 HydrophobicContact CD1-CB 3.72Å; Y294-N416 HydrophobicContact CD2-CB 4.16Å; Y294-N416 HydrophobicContact CE1-CB 4.03Å; Y294-N416 HydrophobicContact CE2-CB 4.46Å; Y294-N416 HydrophobicContact CG-CB 3.78Å; L413-N416 PolarHBondContact O-N 2.82Å; N416-N418 PolarHBondContact O-N 3.31Å; N416-N418 PolarHBondContact OD1-N 2.9Å; N416-K419 PolarHBondContact O-N 2.6Å
417	P	84.5	Confident	78.8	Confident	105 Å²	105	53 Å²	53	68%	0.682	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.9	-21.1	-179	27.3	-36	0	0	0	113.8	T415 K419	T415-P417 WeakPolarHBondContact O-CD 3.45Å; P417-K419 PolarHBondContact O-N 3Å
418	N	79.3	Confident	78	Confident	110 Å²	110	54 Å²	54	59%	0.588	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.4	-1	-179.1	-69	-12.3	0	0	0	113.4	D290 N416	D290-N418 PolarHBondContact OD2-ND2 2.66Å; D290-N418 VanDerWaalsContact OD2-ND2 3.14Å; N416-N418 PolarHBondContact O-N 3.31Å; N416-N418 PolarHBondContact OD1-N 2.9Å
419	K	70.4	Confident	77.5	Confident	50 Å²	50	55.5 Å²	55.5	22%	0.217	30%	0.296	C	S	.	.			trans	-73.7	133.8	-172.8	-114.3	179.7	177.1	111.8	0	113.1	D291 L413 N416 P417 C426	D291-K419 IonicContact OD1-NZ 3.94Å; D291-K419 PolarHBondContact OD1-NZ 3.06Å; D291-K419 WeakPolarHBondContact OD2-CE 3.48Å; D291-K419 IonicContact OD2-NZ 3.71Å; D291-K419 PolarHBondContact OD2-NZ 2.81Å; L413-K419 PolarHBondContact O-NZ 2.95Å; N416-K419 PolarHBondContact O-N 2.6Å; P417-K419 PolarHBondContact O-N 3Å; K419-C426 WeakPolarHBondContact CE-SG 3.15Å
420	K	65.2	Low	77.2	Confident	156 Å²	156	55.3 Å²	55.3	68%	0.678	30%	0.296	S	S	*	.			trans	-85	133.4	165.1	-64.8	-179.1	-177.8	175.4	0	109.2	V422 Q423	K420-V422 PolarHBondContact O-N 2.67Å; K420-Q423 PolarHBondContact O-N 2.78Å; K420-Q423 VanDerWaalsContact O-N 3.16Å
421	D	58.1	Low	77	Confident	117 Å²	117	57.8 Å²	57.8	63%	0.626	31%	0.307	S	S	*	.	G	3₁₀ helix	trans	-53.5	-24.6	-174.1	-116.2	-30.3	0	0	0	114.6	Q423 R424	D421-Q423 PolarHBondContact O-N 3.03Å; D421-Q423 VanDerWaalsContact O-N 3.17Å; D421-R424 IonicContact OD1-CZ 3.1Å; D421-R424 VanDerWaalsContact OD1-CZ 3.29Å; D421-R424 IonicContact OD1-NE 3.63Å; D421-R424 PolarHBondContact OD1-NE 3.05Å; D421-R424 IonicContact OD1-NH2 2.68Å; D421-R424 PolarHBondContact OD1-NH2 2.74Å; D421-R424 IonicContact OD2-NH2 3.9Å
422	V	54.5	Low	76.9	Confident	141 Å²	141	60.6 Å²	60.6	86%	0.855	32%	0.321	S	S	*	.	G	3₁₀ helix	trans	-66	-16.6	-177.6	-173.8	0	0	0	0	113.1	K420	K420-V422 PolarHBondContact O-N 2.67Å
423	Q	56.5	Low	76.7	Confident	74 Å²	74	62.7 Å²	62.7	35%	0.346	33%	0.331	S	S	.	.	G	3₁₀ helix	trans	-111.2	28.2	-174.2	-78.5	168.9	-41.6	0	0	114.3	K420 D421 S425 C426	K420-Q423 PolarHBondContact O-N 2.78Å; K420-Q423 VanDerWaalsContact O-N 3.16Å; D421-Q423 PolarHBondContact O-N 3.03Å; D421-Q423 VanDerWaalsContact O-N 3.17Å; Q423-S425 PolarHBondContact O-N 3.01Å; Q423-C426 HydrophobicContact CB-CB 4.28Å; Q423-C426 WeakPolarHBondContact O-CB 3.35Å; Q423-C426 PolarHBondContact O-N 2.81Å; Q423-C426 PolarHBondContact O-SG 2.85Å
424	R	57.7	Low	76.6	Confident	147 Å²	147	65.3 Å²	65.3	56%	0.555	34%	0.342	S	S	*	.	G	3₁₀ helix	trans	-52.5	-33.4	-176.9	-81.7	-176.5	-169.5	-164.6	4	114.9	L25 D421 H427	L25-R424 HydrophobicContact CD1-CB 4.08Å; L25-R424 WeakPolarHBondContact CD1-O 3.32Å; D421-R424 IonicContact OD1-CZ 3.1Å; D421-R424 VanDerWaalsContact OD1-CZ 3.29Å; D421-R424 IonicContact OD1-NE 3.63Å; D421-R424 PolarHBondContact OD1-NE 3.05Å; D421-R424 IonicContact OD1-NH2 2.68Å; D421-R424 PolarHBondContact OD1-NH2 2.74Å; D421-R424 IonicContact OD2-NH2 3.9Å; R424-H427 PolarHBondContact O-CE1 2.82Å; R424-H427 PolarHBondContact O-ND1 3.23Å
425	S	63	Low	76.7	Confident	84 Å²	84	66.2 Å²	66.2	59%	0.587	34%	0.342	S	S	*	.	G	3₁₀ helix	trans	-84.3	-5.1	-179.4	60.5	0	0	0	0	115.3	Q423 H427 L428	Q423-S425 PolarHBondContact O-N 3.01Å; S425-H427 VanDerWaalsContact C-N 3.27Å; S425-H427 PolarHBondContact O-N 2.85Å; S425-L428 PolarHBondContact O-N 2.96Å
426	C	65.7	Low	76.8	Confident	14 Å²	14	67.5 Å²	67.5	10%	0.095	35%	0.348	C	S	.	.	G	3₁₀ helix	trans	-68.8	-22.4	-170.6	73.1	0	0	0	0	114.3	K419 Q423 Q429 K434	K419-C426 WeakPolarHBondContact CE-SG 3.15Å; Q423-C426 HydrophobicContact CB-CB 4.28Å; Q423-C426 WeakPolarHBondContact O-CB 3.35Å; Q423-C426 PolarHBondContact O-N 2.81Å; Q423-C426 PolarHBondContact O-SG 2.85Å; C426-Q429 VanDerWaalsContact O-O 3.05Å; C426-K434 PolarHBondContact O-NZ 3.46Å
427	H	72.6	Confident	76.8	Confident	8 Å²	8	73 Å²	73	4%	0.037	37%	0.367	C	S	.	.	G	3₁₀ helix	trans	-88.8	-7.8	-173.6	66.9	-89.2	0	0	0	114.4	H258 A410 L413 R424 S425 Q429	H258-H427 PolarHBondContact CE1-O 3.47Å; H258-H427 PolarHBondContact NE2-O 3.31Å; A410-H427 PolarHBondContact O-CD2 2.91Å; L413-H427 HydrophobicContact CB-CB 3.74Å; L413-H427 HydrophobicContact CD1-CB 4.27Å; R424-H427 PolarHBondContact O-CE1 2.82Å; R424-H427 PolarHBondContact O-ND1 3.23Å; S425-H427 VanDerWaalsContact C-N 3.27Å; S425-H427 PolarHBondContact O-N 2.85Å; H427-Q429 VanDerWaalsContact C-N 3.34Å
428	L	80.2	Confident	77.1	Confident	19 Å²	19	73.6 Å²	73.6	10%	0.099	36%	0.361	C	S	.	.	G	3₁₀ helix	trans	-80.6	-19.7	176.4	-64	178.9	0	0	0	112.7	L25 F29 A410 S425	L25-L428 HydrophobicContact CB-CD1 4.11Å; L25-L428 HydrophobicContact CB-CD2 4.3Å; L25-L428 WeakPolarHBondContact O-CD1 3.21Å; F29-L428 HydrophobicContact CE2-CD2 4.04Å; A410-L428 HydrophobicContact CB-CD2 4.26Å; S425-L428 PolarHBondContact O-N 2.96Å
429	Q	86	Confident	77.7	Confident	34 Å²	34	72 Å²	72	16%	0.159	35%	0.352	C	S	.	.	S	Bend	trans	-147.5	134.6	-168.1	-63.5	175.1	12	0	0	111.7	H258 C426 H427 E433 K434 R437	H258-Q429 VanDerWaalsContact CE1-C 3.41Å; H258-Q429 PolarHBondContact CE1-O 2.98Å; C426-Q429 VanDerWaalsContact O-O 3.05Å; H427-Q429 VanDerWaalsContact C-N 3.34Å; Q429-E433 WeakPolarHBondContact CA-OE2 3.42Å; Q429-E433 HydrophobicContact CB-CB 4.29Å; Q429-K434 HydrophobicContact CB-CG 4.23Å; Q429-K434 WeakPolarHBondContact O-CE 3.49Å; Q429-K434 PolarHBondContact O-NZ 3.31Å; Q429-R437 VanDerWaalsContact NE2-NE 3.1Å; Q429-R437 VanDerWaalsContact OE1-CD 3.31Å
430	S	89.4	Confident	78.6	Confident	0 Å²	0	72 Å²	72	0%	0	36%	0.356	C	S	.	.			trans	-68.2	163.4	169.6	64.2	0	0	0	0	112.4	Y255 H258 L432 E433 K434	Y255-S430 WeakPolarHBondContact CD2-OG 3.37Å; H258-S430 PolarHBondContact NE2-N 3.11Å; S430-L432 PolarHBondContact O-N 2.81Å; S430-E433 WeakPolarHBondContact CB-OE2 3.48Å; S430-E433 PolarHBondContact N-OE2 3.48Å; S430-E433 PolarHBondContact O-N 3.18Å; S430-E433 WeakPolarHBondContact OG-CG 3.19Å; S430-E433 PolarHBondContact OG-N 3.01Å; S430-E433 PolarHBondContact OG-OE2 2.82Å; S430-K434 WeakPolarHBondContact O-CG 3.3Å; S430-K434 PolarHBondContact O-N 3.44Å
431	H	88.5	Confident	79.8	Confident	53 Å²	53	68.4 Å²	68.4	25%	0.245	35%	0.347	C	S	.	.	H	α-helix	trans	-57.9	-38.1	173	-62.2	79.1	0	0	0	112.3	L251 D288 E433 K434 L435	L251-H431 HydrophobicContact CD2-CB 4.09Å; D288-H431 IonicContact OD2-CE1 3.66Å; D288-H431 PolarHBondContact OD2-CE1 2.94Å; D288-H431 IonicContact OD2-NE2 2.86Å; D288-H431 PolarHBondContact OD2-NE2 2.93Å; H431-E433 PolarHBondContact O-N 3.2Å; H431-K434 PolarHBondContact O-N 2.89Å; H431-L435 WeakPolarHBondContact O-CG 3.49Å; H431-L435 PolarHBondContact O-N 2.87Å
432	L	91.1	Very high	81.5	Confident	63 Å²	63	66.8 Å²	66.8	33%	0.33	34%	0.344	S	S	.	.	H	α-helix	trans	-59.9	-46.7	176.8	178.8	59.4	0	0	0	111.5	Y255 S430 K434 L435 L436	Y255-L432 HydrophobicContact CD2-CB 4.43Å; Y255-L432 HydrophobicContact CD2-CD2 4.25Å; S430-L432 PolarHBondContact O-N 2.81Å; L432-K434 PolarHBondContact O-N 3.06Å; L432-L435 PolarHBondContact O-N 3.04Å; L432-L436 HydrophobicContact CD1-CD1 4.41Å; L432-L436 HydrophobicContact CD1-CG 4.38Å; L432-L436 HydrophobicContact CG-CD1 4.22Å; L432-L436 VanDerWaalsContact O-CG 3.3Å; L432-L436 WeakPolarHBondContact O-CG 3.43Å; L432-L436 PolarHBondContact O-N 3.18Å
433	E	90	Very high	83.2	Confident	43 Å²	43	61 Å²	61	20%	0.201	31%	0.31	C	S	.	.	H	α-helix	trans	-67.3	-37.4	178.8	-69.4	164.9	112.4	0	0	112.5	Y259 Q429 S430 H431 L435 L436 R437	Y259-E433 PolarHBondContact OH-OE1 3.1Å; Y259-E433 PolarHBondContact OH-OE2 2.71Å; Q429-E433 WeakPolarHBondContact CA-OE2 3.42Å; Q429-E433 HydrophobicContact CB-CB 4.29Å; S430-E433 WeakPolarHBondContact CB-OE2 3.48Å; S430-E433 PolarHBondContact N-OE2 3.48Å; S430-E433 PolarHBondContact O-N 3.18Å; S430-E433 WeakPolarHBondContact OG-CG 3.19Å; S430-E433 PolarHBondContact OG-N 3.01Å; S430-E433 PolarHBondContact OG-OE2 2.82Å; H431-E433 PolarHBondContact O-N 3.2Å; E433-L435 VanDerWaalsContact C-N 3.33Å; E433-L436 PolarHBondContact O-N 2.49Å; E433-R437 WeakPolarHBondContact O-CG 3.47Å; E433-R437 PolarHBondContact O-N 3.22Å
434	K	89.4	Confident	84.8	Confident	57 Å²	57	61.7 Å²	61.7	25%	0.248	32%	0.315	C	S	.	.	H	α-helix	trans	-59.7	-45.3	173.3	-69	169.5	-172.2	160.6	0	110.8	C426 Q429 S430 H431 L432 R437 Q438	C426-K434 PolarHBondContact O-NZ 3.46Å; Q429-K434 HydrophobicContact CB-CG 4.23Å; Q429-K434 WeakPolarHBondContact O-CE 3.49Å; Q429-K434 PolarHBondContact O-NZ 3.31Å; S430-K434 WeakPolarHBondContact O-CG 3.3Å; S430-K434 PolarHBondContact O-N 3.44Å; H431-K434 PolarHBondContact O-N 2.89Å; L432-K434 PolarHBondContact O-N 3.06Å; K434-R437 PolarHBondContact O-N 2.95Å; K434-Q438 WeakPolarHBondContact O-CG 3.44Å; K434-Q438 PolarHBondContact O-N 2.95Å
435	L	91.4	Very high	86.4	Confident	79 Å²	79	60 Å²	60	41%	0.414	31%	0.314	S	S	.	.	H	α-helix	trans	-63.4	-42.2	175.7	-72.2	173.1	0	0	0	112.1	L251 H431 L432 E433 R437 Q438 L439	L251-L435 HydrophobicContact CD1-CD1 3.91Å; L251-L435 HydrophobicContact CD2-CD1 3.58Å; L251-L435 HydrophobicContact CG-CD1 4.41Å; H431-L435 WeakPolarHBondContact O-CG 3.49Å; H431-L435 PolarHBondContact O-N 2.87Å; L432-L435 PolarHBondContact O-N 3.04Å; E433-L435 VanDerWaalsContact C-N 3.33Å; L435-R437 VanDerWaalsContact C-N 3.32Å; L435-R437 PolarHBondContact O-N 3.24Å; L435-Q438 PolarHBondContact O-N 2.69Å; L435-L439 WeakPolarHBondContact O-CB 3.49Å; L435-L439 PolarHBondContact O-N 3.23Å
436	L	90.9	Very high	87.7	Confident	54 Å²	54	64 Å²	64	28%	0.283	32%	0.316	S	S	.	.	H	α-helix	trans	-64.1	-36.7	176.9	-70.8	173.7	0	0	0	112.3	L432 E433 T440 L459	L432-L436 HydrophobicContact CD1-CD1 4.41Å; L432-L436 HydrophobicContact CD1-CG 4.38Å; L432-L436 HydrophobicContact CG-CD1 4.22Å; L432-L436 VanDerWaalsContact O-CG 3.3Å; L432-L436 WeakPolarHBondContact O-CG 3.43Å; L432-L436 PolarHBondContact O-N 3.18Å; E433-L436 PolarHBondContact O-N 2.49Å; L436-T440 WeakPolarHBondContact O-CB 3.44Å; L436-T440 PolarHBondContact O-N 3.33Å; L436-T440 PolarHBondContact O-OG1 2.88Å; L436-L459 HydrophobicContact CD1-CD2 4.13Å; L436-L459 HydrophobicContact CD2-CD1 3.8Å; L436-L459 HydrophobicContact CD2-CD2 4.4Å
437	R	87.7	Confident	88.8	Confident	124 Å²	124	65.2 Å²	65.2	47%	0.468	32%	0.319	S	S	.	.	H	α-helix	trans	-66.7	-47.4	172.6	-74.4	177.2	179.4	-86.1	0.4	111.5	Q429 E433 K434 L435 L439 T440 V441	Q429-R437 VanDerWaalsContact NE2-NE 3.1Å; Q429-R437 VanDerWaalsContact OE1-CD 3.31Å; E433-R437 WeakPolarHBondContact O-CG 3.47Å; E433-R437 PolarHBondContact O-N 3.22Å; K434-R437 PolarHBondContact O-N 2.95Å; L435-R437 VanDerWaalsContact C-N 3.32Å; L435-R437 PolarHBondContact O-N 3.24Å; R437-L439 VanDerWaalsContact C-N 3.33Å; R437-L439 PolarHBondContact O-N 2.72Å; R437-T440 WeakPolarHBondContact O-CB 3.18Å; R437-T440 PolarHBondContact O-N 2.91Å; R437-T440 VanDerWaalsContact O-N 3.15Å; R437-V441 WeakPolarHBondContact O-CG2 3.09Å; R437-V441 PolarHBondContact O-N 3.06Å
438	Q	91.7	Very high	89.6	Confident	118 Å²	118	67.8 Å²	67.8	55%	0.551	34%	0.338	S	S	*	.	H	α-helix	trans	-57.9	-46.1	176.1	-74.9	173.4	-17.8	0	0	111.2	K434 L435 T440 V441 C442	K434-Q438 WeakPolarHBondContact O-CG 3.44Å; K434-Q438 PolarHBondContact O-N 2.95Å; L435-Q438 PolarHBondContact O-N 2.69Å; Q438-T440 VanDerWaalsContact C-N 3.33Å; Q438-T440 PolarHBondContact O-N 3.24Å; Q438-V441 PolarHBondContact O-N 2.79Å; Q438-C442 WeakPolarHBondContact O-CB 2.88Å; Q438-C442 PolarHBondContact O-N 2.88Å; Q438-C442 PolarHBondContact O-SG 3.42Å
439	L	92.6	Very high	90.1	Very high	78 Å²	78	73.5 Å²	73.5	41%	0.408	37%	0.367	S	S	.	.	H	α-helix	trans	-56.6	-47.2	174.1	175.7	61.1	0	0	0	111.6	L435 R437 V441 C442 C443 F457	L435-L439 WeakPolarHBondContact O-CB 3.49Å; L435-L439 PolarHBondContact O-N 3.23Å; R437-L439 VanDerWaalsContact C-N 3.33Å; R437-L439 PolarHBondContact O-N 2.72Å; L439-V441 PolarHBondContact O-N 3.15Å; L439-C442 PolarHBondContact O-N 3.28Å; L439-C443 WeakPolarHBondContact O-CB 3.41Å; L439-C443 PolarHBondContact O-N 3.06Å; L439-C443 PolarHBondContact O-SG 3.05Å; L439-F457 HydrophobicContact CD2-CE1 4.35Å; L439-F457 HydrophobicContact CD2-CE2 3.89Å; L439-F457 HydrophobicContact CD2-CZ 3.5Å; L439-F457 VanDerWaalsContact CD2-CZ 3.5Å; L439-F457 HydrophobicContact CG-CE1 4.24Å; L439-F457 HydrophobicContact CG-CE2 4.12Å; L439-F457 HydrophobicContact CG-CZ 3.77Å
440	T	89.1	Confident	90.2	Very high	48 Å²	48	74.5 Å²	74.5	29%	0.294	37%	0.374	S	S	.	.	H	α-helix	trans	-59.1	-46.8	178.2	-57	0	0	0	0	111.1	L436 R437 Q438 C443 L444 F457	L436-T440 WeakPolarHBondContact O-CB 3.44Å; L436-T440 PolarHBondContact O-N 3.33Å; L436-T440 PolarHBondContact O-OG1 2.88Å; R437-T440 WeakPolarHBondContact O-CB 3.18Å; R437-T440 PolarHBondContact O-N 2.91Å; R437-T440 VanDerWaalsContact O-N 3.15Å; Q438-T440 VanDerWaalsContact C-N 3.33Å; Q438-T440 PolarHBondContact O-N 3.24Å; T440-C443 PolarHBondContact O-N 2.88Å; T440-L444 HydrophobicContact CG2-CD1 4.19Å; T440-L444 VanDerWaalsContact O-CG 3.32Å; T440-L444 WeakPolarHBondContact O-CG 2.97Å; T440-L444 PolarHBondContact O-N 2.79Å; T440-F457 HydrophobicContact CG2-CD1 4.39Å
441	V	90.7	Very high	90.1	Very high	81 Å²	81	76 Å²	76	49%	0.491	39%	0.389	S	S	.	.	H	α-helix	trans	-63.8	-48.2	177.6	173.3	0	0	0	0	110.8	R437 Q438 L439 C443 L444 E445	R437-V441 WeakPolarHBondContact O-CG2 3.09Å; R437-V441 PolarHBondContact O-N 3.06Å; Q438-V441 PolarHBondContact O-N 2.79Å; L439-V441 PolarHBondContact O-N 3.15Å; V441-C443 VanDerWaalsContact C-N 3.28Å; V441-C443 PolarHBondContact O-N 3.33Å; V441-L444 PolarHBondContact O-N 3.31Å; V441-L444 VanDerWaalsContact O-N 3.09Å; V441-E445 HydrophobicContact CG1-CG 4.11Å; V441-E445 WeakPolarHBondContact O-CB 3.31Å; V441-E445 WeakPolarHBondContact O-CG 3.49Å; V441-E445 PolarHBondContact O-N 2.78Å
442	C	93.7	Very high	90.1	Very high	83 Å²	83	77.3 Å²	77.3	56%	0.561	40%	0.398	S	S	*	.	H	α-helix	trans	-57.8	-40.1	177.5	-70.8	0	0	0	0	112.2	Q438 L439 R446	Q438-C442 WeakPolarHBondContact O-CB 2.88Å; Q438-C442 PolarHBondContact O-N 2.88Å; Q438-C442 PolarHBondContact O-SG 3.42Å; L439-C442 PolarHBondContact O-N 3.28Å; C442-R446 VanDerWaalsContact O-CB 3.28Å; C442-R446 WeakPolarHBondContact O-CB 3.21Å; C442-R446 PolarHBondContact O-N 2.66Å
443	C	90.3	Very high	90.1	Very high	21 Å²	21	74.5 Å²	74.5	14%	0.142	38%	0.383	C	S	.	.	H	α-helix	trans	-66.5	-40.8	175.5	-71.7	0	0	0	0	112.6	L439 T440 V441 R447 F457	L439-C443 WeakPolarHBondContact O-CB 3.41Å; L439-C443 PolarHBondContact O-N 3.06Å; L439-C443 PolarHBondContact O-SG 3.05Å; T440-C443 PolarHBondContact O-N 2.88Å; V441-C443 VanDerWaalsContact C-N 3.28Å; V441-C443 PolarHBondContact O-N 3.33Å; C443-R447 WeakPolarHBondContact O-CB 3.32Å; C443-R447 PolarHBondContact O-N 2.92Å; C443-R447 VanDerWaalsContact O-N 3.09Å; C443-F457 HydrophobicContact CB-CB 3.42Å; C443-F457 VanDerWaalsContact CB-CB 3.42Å; C443-F457 HydrophobicContact CB-CD1 4.38Å; C443-F457 HydrophobicContact CB-CD2 4.48Å; C443-F457 HydrophobicContact CB-CG 3.87Å
444	L	88.6	Confident	90.1	Very high	87 Å²	87	72.9 Å²	72.9	46%	0.455	38%	0.378	S	S	.	.	H	α-helix	trans	-64.9	-47.2	176.1	-71.9	170.7	0	0	0	111.5	T440 V441 R446 R447 S448	T440-L444 HydrophobicContact CG2-CD1 4.19Å; T440-L444 VanDerWaalsContact O-CG 3.32Å; T440-L444 WeakPolarHBondContact O-CG 2.97Å; T440-L444 PolarHBondContact O-N 2.79Å; V441-L444 PolarHBondContact O-N 3.31Å; V441-L444 VanDerWaalsContact O-N 3.09Å; L444-R446 PolarHBondContact O-N 3.33Å; L444-R447 WeakPolarHBondContact O-CB 3.32Å; L444-R447 PolarHBondContact O-N 3.12Å; L444-R447 VanDerWaalsContact O-N 3.16Å; L444-S448 PolarHBondContact O-N 3.4Å
445	E	92	Very high	90	Very high	112 Å²	112	73.7 Å²	73.7	52%	0.523	38%	0.383	S	S	.	.	H	α-helix	trans	-60.7	-45.4	177.1	-71.9	-58.3	143	0	0	111.6	V441 R447 S448 L449	V441-E445 HydrophobicContact CG1-CG 4.11Å; V441-E445 WeakPolarHBondContact O-CB 3.31Å; V441-E445 WeakPolarHBondContact O-CG 3.49Å; V441-E445 PolarHBondContact O-N 2.78Å; E445-R447 VanDerWaalsContact C-N 3.27Å; E445-R447 PolarHBondContact O-N 3.19Å; E445-S448 WeakPolarHBondContact O-CB 3.38Å; E445-S448 PolarHBondContact O-N 3.06Å; E445-S448 VanDerWaalsContact O-N 3.14Å; E445-L449 WeakPolarHBondContact O-CG 3.3Å; E445-L449 PolarHBondContact O-N 3.42Å
446	R	89.5	Confident	89.7	Confident	167 Å²	167	72 Å²	72	63%	0.63	38%	0.376	S	S	*	.	H	α-helix	trans	-57.8	-41.5	175.1	-175.5	-179.5	68	168.2	1.4	111.7	C442 L444 N450	C442-R446 VanDerWaalsContact O-CB 3.28Å; C442-R446 WeakPolarHBondContact O-CB 3.21Å; C442-R446 PolarHBondContact O-N 2.66Å; L444-R446 PolarHBondContact O-N 3.33Å; R446-N450 PolarHBondContact O-N 3.43Å
447	R	89.2	Confident	89.5	Confident	40 Å²	40	71.8 Å²	71.8	15%	0.151	37%	0.373	C	S	.	.	H	α-helix	trans	-68.1	-40.2	177.2	-175.2	170.3	170.6	-86	-5.9	111.3	C443 L444 E445 N450 G451 D452 G454	C443-R447 WeakPolarHBondContact O-CB 3.32Å; C443-R447 PolarHBondContact O-N 2.92Å; C443-R447 VanDerWaalsContact O-N 3.09Å; L444-R447 WeakPolarHBondContact O-CB 3.32Å; L444-R447 PolarHBondContact O-N 3.12Å; L444-R447 VanDerWaalsContact O-N 3.16Å; E445-R447 VanDerWaalsContact C-N 3.27Å; E445-R447 PolarHBondContact O-N 3.19Å; R447-N450 CarbonylContact O-C 3.49Å; R447-N450 WeakPolarHBondContact O-CA 3.32Å; R447-N450 PolarHBondContact O-N 2.94Å; R447-N450 VanDerWaalsContact O-N 3.13Å; R447-G451 PolarHBondContact O-N 2.95Å; R447-D452 PolarHBondContact NE-O 2.87Å; R447-D452 PolarHBondContact NH2-O 3.31Å; R447-D452 VanDerWaalsContact O-CA 3.27Å; R447-D452 WeakPolarHBondContact O-CA 3.46Å; R447-D452 PolarHBondContact O-N 3.01Å; R447-G454 PolarHBondContact NE-O 2.95Å
448	S	90.1	Very high	89.1	Confident	62 Å²	62	70.2 Å²	70.2	43%	0.434	37%	0.367	S	S	.	.	H	α-helix	trans	-62.1	-43.4	175.6	-171.4	0	0	0	0	112.2	L444 E445 N450 G451	L444-S448 PolarHBondContact O-N 3.4Å; E445-S448 WeakPolarHBondContact O-CB 3.38Å; E445-S448 PolarHBondContact O-N 3.06Å; E445-S448 VanDerWaalsContact O-N 3.14Å; S448-N450 PolarHBondContact O-N 3.25Å; S448-G451 WeakPolarHBondContact O-CA 3.15Å; S448-G451 PolarHBondContact O-N 3.07Å
449	L	89.5	Confident	88.5	Confident	139 Å²	139	67.3 Å²	67.3	73%	0.728	36%	0.355	S	S	*	.	H	α-helix	trans	-58.9	-30.2	174.3	-71.4	172.7	0	0	0	112.7	E445 G451	E445-L449 WeakPolarHBondContact O-CG 3.3Å; E445-L449 PolarHBondContact O-N 3.42Å; L449-G451 VanDerWaalsContact C-N 3.26Å; L449-G451 PolarHBondContact O-N 2.72Å
450	N	88.2	Confident	87.6	Confident	55 Å²	55	71.1 Å²	71.1	29%	0.294	36%	0.364	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.3	13.9	174.2	-72.2	-21.8	0	0	0	113.8	R446 R447 S448 Q453	R446-N450 PolarHBondContact O-N 3.43Å; R447-N450 CarbonylContact O-C 3.49Å; R447-N450 WeakPolarHBondContact O-CA 3.32Å; R447-N450 PolarHBondContact O-N 2.94Å; R447-N450 VanDerWaalsContact O-N 3.13Å; S448-N450 PolarHBondContact O-N 3.25Å; N450-Q453 WeakPolarHBondContact O-CB 3.46Å; N450-Q453 WeakPolarHBondContact O-CG 3.41Å
451	G	87.5	Confident	86.8	Confident	31 Å²	31	73.3 Å²	73.3	32%	0.32	37%	0.371	S	S	.	.	T	Hydrogen-bonded Turn	trans	71.6	37.5	-179.7	0	0	0	0	0	113.3	R447 S448 L449 Q453	R447-G451 PolarHBondContact O-N 2.95Å; S448-G451 WeakPolarHBondContact O-CA 3.15Å; S448-G451 PolarHBondContact O-N 3.07Å; L449-G451 VanDerWaalsContact C-N 3.26Å; L449-G451 PolarHBondContact O-N 2.72Å; G451-Q453 VanDerWaalsContact C-N 3.26Å; G451-Q453 WeakPolarHBondContact O-CG 3.38Å; G451-Q453 PolarHBondContact O-N 3.47Å
452	D	89.4	Confident	85.9	Confident	82 Å²	82	72.4 Å²	72.4	44%	0.439	37%	0.365	S	S	.	.	S	Bend	trans	64.4	24.6	-175	-59	-53.1	0	0	0	114.5	I95 R447	I95-D452 WeakPolarHBondContact CD1-O 3.19Å; R447-D452 PolarHBondContact NE-O 2.87Å; R447-D452 PolarHBondContact NH2-O 3.31Å; R447-D452 VanDerWaalsContact O-CA 3.27Å; R447-D452 WeakPolarHBondContact O-CA 3.46Å; R447-D452 PolarHBondContact O-N 3.01Å
453	Q	90.7	Very high	84.8	Confident	3 Å²	3	73.5 Å²	73.5	1%	0.014	37%	0.365	C	S	.	.			trans	-107.3	143.1	-177.5	-50.1	-173.6	-31.1	0	0	112.3	I95 Y172 K191 G195 N450 G451	I95-Q453 HydrophobicContact CB-CB 4.19Å; I95-Q453 HydrophobicContact CB-CG 3.92Å; I95-Q453 HydrophobicContact CD1-CG 4.27Å; I95-Q453 HydrophobicContact CG2-CB 4.47Å; I95-Q453 HydrophobicContact CG2-CG 3.85Å; Y172-Q453 HydrophobicContact CD1-CB 3.66Å; Y172-Q453 HydrophobicContact CD1-CG 4.5Å; Y172-Q453 HydrophobicContact CE1-CB 4.01Å; Y172-Q453 HydrophobicContact CE1-CG 4.39Å; Y172-Q453 HydrophobicContact CG-CB 4.47Å; K191-Q453 VanDerWaalsContact CE-OE1 3.29Å; G195-Q453 PolarHBondContact O-NE2 3.2Å; N450-Q453 WeakPolarHBondContact O-CB 3.46Å; N450-Q453 WeakPolarHBondContact O-CG 3.41Å; G451-Q453 VanDerWaalsContact C-N 3.26Å; G451-Q453 WeakPolarHBondContact O-CG 3.38Å; G451-Q453 PolarHBondContact O-N 3.47Å
454	G	89.9	Confident	83.5	Confident	9 Å²	9	77.7 Å²	77.7	9%	0.093	39%	0.386	C	S	.	.	S	Bend	trans	110.7	169.9	-173.8	0	0	0	0	0	112.7	I95 R447 T456	I95-G454 CarbonylContact O-C 3.54Å; I95-G454 WeakPolarHBondContact O-CA 3.27Å; I95-G454 PolarHBondContact O-N 3.38Å; R447-G454 PolarHBondContact NE-O 2.95Å; G454-T456 PolarHBondContact O-N 2.69Å
455	E	87.8	Confident	82	Confident	75 Å²	75	79.6 Å²	79.6	35%	0.35	40%	0.396	S	S	.	.	P	Polyproline II helix	trans	-58.8	135.8	-178.6	-63.9	-169.6	108.7	0	0	112.4	C97 L98 R231 F457	C97-E455 VanDerWaalsContact C-CG 3.44Å; L98-E455 HydrophobicContact CB-CG 3.94Å; R231-E455 IonicContact CZ-OE1 3.77Å; R231-E455 IonicContact CZ-OE2 3.25Å; R231-E455 VanDerWaalsContact NH1-CD 3.32Å; R231-E455 IonicContact NH1-OE1 3.3Å; R231-E455 PolarHBondContact NH1-OE1 2.83Å; R231-E455 VanDerWaalsContact NH1-OE1 3.1Å; R231-E455 IonicContact NH1-OE2 2.69Å; R231-E455 PolarHBondContact NH1-OE2 2.94Å; R231-E455 IonicContact NH2-OE1 2.83Å; R231-E455 PolarHBondContact NH2-OE1 3.32Å; R231-E455 IonicContact NH2-OE2 2.7Å; E455-F457 PolarHBondContact O-N 2.84Å
456	T	85.4	Confident	79.9	Confident	43 Å²	43	80.8 Å²	80.8	26%	0.264	41%	0.406	S	S	.	.	P	Polyproline II helix	trans	-74	125	172.1	-56.2	0	0	0	0	109.7	G454 R458	G454-T456 PolarHBondContact O-N 2.69Å; T456-R458 HydrophobicContact CG2-CG 4.22Å; T456-R458 PolarHBondContact O-N 3.46Å
457	F	84.9	Confident	77.4	Confident	50 Å²	50	86.3 Å²	86.3	22%	0.219	43%	0.427	C	S	.	.	P	Polyproline II helix	trans	-68	121.1	171.2	177.7	-98.6	0	0	0	110.1	L439 T440 C443 E455 L459 V462	L439-F457 HydrophobicContact CD2-CE1 4.35Å; L439-F457 HydrophobicContact CD2-CE2 3.89Å; L439-F457 HydrophobicContact CD2-CZ 3.5Å; L439-F457 VanDerWaalsContact CD2-CZ 3.5Å; L439-F457 HydrophobicContact CG-CE1 4.24Å; L439-F457 HydrophobicContact CG-CE2 4.12Å; L439-F457 HydrophobicContact CG-CZ 3.77Å; T440-F457 HydrophobicContact CG2-CD1 4.39Å; C443-F457 HydrophobicContact CB-CB 3.42Å; C443-F457 VanDerWaalsContact CB-CB 3.42Å; C443-F457 HydrophobicContact CB-CD1 4.38Å; C443-F457 HydrophobicContact CB-CD2 4.48Å; C443-F457 HydrophobicContact CB-CG 3.87Å; E455-F457 PolarHBondContact O-N 2.84Å; F457-L459 HydrophobicContact CE1-CB 4.31Å; F457-L459 HydrophobicContact CZ-CD1 4.4Å; F457-V462 HydrophobicContact CD2-CG2 4.27Å; F457-V462 HydrophobicContact CE2-CG2 3.81Å; F457-V462 HydrophobicContact CZ-CG2 4.49Å
458	R	80	Confident	76.8	Confident	91 Å²	91	88.6 Å²	88.6	34%	0.343	44%	0.441	S	S	.	.			trans	-128.6	109.8	175.5	-65.8	-175.7	-176.6	-178.4	4.9	108.8	D44 T456 R460 H461 V462	D44-R458 IonicContact OD2-NH2 3.95Å; D44-R458 PolarHBondContact OD2-NH2 3.36Å; T456-R458 HydrophobicContact CG2-CG 4.22Å; T456-R458 PolarHBondContact O-N 3.46Å; R458-R460 PolarHBondContact O-N 2.95Å; R458-R460 VanDerWaalsContact O-N 3.17Å; R458-H461 HydrophobicContact CB-CB 4.1Å; R458-H461 PolarHBondContact NH1-CE1 2.85Å; R458-H461 PolarHBondContact O-N 3.1Å; R458-V462 PolarHBondContact O-N 3.11Å; R458-V462 VanDerWaalsContact O-N 3.12Å
459	L	78.8	Confident	76.1	Confident	57 Å²	57	90 Å²	90	30%	0.298	44%	0.441	S	S	.	.	H	α-helix	trans	-52.5	-41.3	-179.1	-178.7	59.8	0	0	0	112.1	L436 F457 H461 V462 L463	L436-L459 HydrophobicContact CD1-CD2 4.13Å; L436-L459 HydrophobicContact CD2-CD1 3.8Å; L436-L459 HydrophobicContact CD2-CD2 4.4Å; F457-L459 HydrophobicContact CE1-CB 4.31Å; F457-L459 HydrophobicContact CZ-CD1 4.4Å; L459-H461 PolarHBondContact O-N 3.31Å; L459-V462 PolarHBondContact O-N 3.37Å; L459-L463 HydrophobicContact CD1-CD1 4.2Å; L459-L463 HydrophobicContact CD1-CG 4.15Å; L459-L463 HydrophobicContact CG-CD1 3.97Å; L459-L463 HydrophobicContact CG-CG 4.35Å; L459-L463 VanDerWaalsContact O-CG 3.32Å; L459-L463 WeakPolarHBondContact O-CG 3.17Å; L459-L463 PolarHBondContact O-N 3.07Å
460	R	74	Confident	75.3	Confident	157 Å²	157	87.3 Å²	87.3	59%	0.592	43%	0.425	S	S	*	.	H	α-helix	trans	-59.7	-42.8	176.4	-71.2	-174.6	-177.7	173.7	1.3	113.3	R458 V462 L463 N464	R458-R460 PolarHBondContact O-N 2.95Å; R458-R460 VanDerWaalsContact O-N 3.17Å; R460-V462 VanDerWaalsContact C-N 3.32Å; R460-L463 PolarHBondContact O-N 2.87Å; R460-N464 WeakPolarHBondContact O-CB 3.25Å; R460-N464 VanDerWaalsContact O-CG 3.29Å; R460-N464 PolarHBondContact O-N 3.37Å
461	H	72.6	Confident	74.6	Confident	95 Å²	95	89.2 Å²	89.2	44%	0.44	43%	0.433	S	S	.	.	H	α-helix	trans	-66	-39.4	178	-69.8	-170.1	0	0	0	110.9	R458 L459 N464 N465	R458-H461 HydrophobicContact CB-CB 4.1Å; R458-H461 PolarHBondContact NH1-CE1 2.85Å; R458-H461 PolarHBondContact O-N 3.1Å; L459-H461 PolarHBondContact O-N 3.31Å; H461-N464 PolarHBondContact O-N 3Å; H461-N465 VanDerWaalsContact O-CB 3.25Å; H461-N465 WeakPolarHBondContact O-CB 3.28Å; H461-N465 PolarHBondContact O-N 2.86Å; H461-N465 PolarHBondContact O-ND2 2.91Å
462	V	72	Confident	73.8	Confident	62 Å²	62	92.8 Å²	92.8	38%	0.376	44%	0.44	S	S	.	.	H	α-helix	trans	-63.5	-42.8	176.6	177.9	0	0	0	0	111.2	F457 R458 L459 R460 N466	F457-V462 HydrophobicContact CD2-CG2 4.27Å; F457-V462 HydrophobicContact CE2-CG2 3.81Å; F457-V462 HydrophobicContact CZ-CG2 4.49Å; R458-V462 PolarHBondContact O-N 3.11Å; R458-V462 VanDerWaalsContact O-N 3.12Å; L459-V462 PolarHBondContact O-N 3.37Å; R460-V462 VanDerWaalsContact C-N 3.32Å; V462-N466 PolarHBondContact O-ND2 3.16Å
463	L	70	Confident	72.7	Confident	106 Å²	106	93.5 Å²	93.5	56%	0.555	44%	0.44	S	S	*	.	H	α-helix	trans	-70	-34.6	179.3	-67.1	174.7	0	0	0	112.9	L459 R460	L459-L463 HydrophobicContact CD1-CD1 4.2Å; L459-L463 HydrophobicContact CD1-CG 4.15Å; L459-L463 HydrophobicContact CG-CD1 3.97Å; L459-L463 HydrophobicContact CG-CG 4.35Å; L459-L463 VanDerWaalsContact O-CG 3.32Å; L459-L463 WeakPolarHBondContact O-CG 3.17Å; L459-L463 PolarHBondContact O-N 3.07Å; R460-L463 PolarHBondContact O-N 2.87Å
464	N	63.3	Low	71.4	Confident	109 Å²	109	100 Å²	100	58%	0.583	47%	0.471	S	S	*	.	H	α-helix	trans	-83.1	-30.5	-178	-70.7	-9	0	0	0	113.5	R460 H461 N466 R467	R460-N464 WeakPolarHBondContact O-CB 3.25Å; R460-N464 VanDerWaalsContact O-CG 3.29Å; R460-N464 PolarHBondContact O-N 3.37Å; H461-N464 PolarHBondContact O-N 3Å; N464-N466 VanDerWaalsContact C-N 3.28Å; N464-N466 PolarHBondContact O-N 2.95Å; N464-R467 PolarHBondContact O-N 3.29Å
465	N	57.4	Low	70	Confident	126 Å²	126	107 Å²	107	67%	0.674	50%	0.5	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.5	-7.6	-179.4	-70.1	-13.9	0	0	0	113.9	H461 R467	H461-N465 VanDerWaalsContact O-CB 3.25Å; H461-N465 WeakPolarHBondContact O-CB 3.28Å; H461-N465 PolarHBondContact O-N 2.86Å; H461-N465 PolarHBondContact O-ND2 2.91Å; N465-R467 VanDerWaalsContact C-N 3.31Å
466	N	46.9	Very low	68.5	Low	137 Å²	137	109.7 Å²	109.7	73%	0.733	51%	0.512	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90	7.5	174.4	-73.1	-20.7	0	0	0	113	V462 N464	V462-N466 PolarHBondContact O-ND2 3.16Å; N464-N466 VanDerWaalsContact C-N 3.28Å; N464-N466 PolarHBondContact O-N 2.95Å
467	R	36.9	Very low	67	Low	283 Å²	283	115.7 Å²	115.7	100%	1.068	54%	0.535	S	S	*	.			trans	-107.7	0	167.6	-69.9	-175.3	179.1	-173.4	0.4	108.9	N464 N465	N464-R467 PolarHBondContact O-N 3.29Å; N465-R467 VanDerWaalsContact C-N 3.31Å

Retrieved 467 of 467 residues in 116.2 ms (Link to these results)

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