TY3H_DROME Loading...

Tyrosine 3-monooxygenase

Plays an important role in the physiology of adrenergic neurons.

AlphaFold DB , UniProt , Accession P18459, Species DROME (Drosophila melanogaster, Fruit fly), Gene ple, Length 579 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	39.5	Very low	32.5	Very low	216 Å²	216	119.4 Å²	119.4	100%	1.064	65%	0.645	S	S	*	*				0	-44.2	0	-83.7	-157.7	-94.4	0	0	113.6	A3 V4 A5	M1-A3 PolarHBondContact O-N 2.97Å; M1-V4 PolarHBondContact O-N 2.74Å; M1-A5 PolarHBondContact O-N 2.7Å
2	M	33.4	Very low	32.5	Very low	174 Å²	174	122 Å²	122	86%	0.857	65%	0.65	S	S	*	*	H	α-helix	trans	-60.8	-37.4	-179.7	-73.9	-162.1	-163.8	0	0	114.9	V4 A5 A6	M2-V4 PolarHBondContact O-N 2.78Å; M2-A5 PolarHBondContact O-N 3Å; M2-A6 PolarHBondContact O-N 3.22Å
3	A	32.3	Very low	32.4	Very low	82 Å²	82	122.1 Å²	122.1	68%	0.678	65%	0.646	S	S	*	*	H	α-helix	trans	-65.4	-36.4	-179.9	0	0	0	0	0	113.3	M1 A6 A7	M1-A3 PolarHBondContact O-N 2.97Å; A3-A6 PolarHBondContact O-N 3.31Å; A3-A7 WeakPolarHBondContact O-CB 3.36Å; A3-A7 PolarHBondContact O-N 3.31Å; A3-A7 VanDerWaalsContact O-N 3.08Å
4	V	34.7	Very low	32.3	Very low	96 Å²	96	123.4 Å²	123.4	58%	0.582	64%	0.644	S	S	*	*	H	α-helix	trans	-71.3	-39.2	177.6	-179.2	0	0	0	0	110.6	M1 M2 A7 Q8	M1-V4 PolarHBondContact O-N 2.74Å; M2-V4 PolarHBondContact O-N 2.78Å; V4-A7 PolarHBondContact O-N 3.38Å; V4-Q8 PolarHBondContact O-N 3.12Å
5	A	29.3	Very low	32.2	Very low	57 Å²	57	119.3 Å²	119.3	47%	0.471	64%	0.636	S	S	.	*	H	α-helix	trans	-65.6	-37.9	176.1	0	0	0	0	0	112.4	M1 M2 K9	M1-A5 PolarHBondContact O-N 2.7Å; M2-A5 PolarHBondContact O-N 3Å; A5-K9 WeakPolarHBondContact O-CB 3.36Å; A5-K9 PolarHBondContact O-N 3.35Å
6	A	30.5	Very low	32.5	Very low	56 Å²	56	121.8 Å²	121.8	46%	0.463	65%	0.647	S	S	.	*	H	α-helix	trans	-67	-41.7	175.2	0	0	0	0	0	112	M2 A3 K9 N10	M2-A6 PolarHBondContact O-N 3.22Å; A3-A6 PolarHBondContact O-N 3.31Å; A6-K9 PolarHBondContact O-N 3.16Å; A6-N10 PolarHBondContact O-N 3.36Å
7	A	31.4	Very low	32.5	Very low	56 Å²	56	124.8 Å²	124.8	46%	0.463	65%	0.653	S	S	.	*	H	α-helix	trans	-66	-39.5	176.5	0	0	0	0	0	112.5	A3 V4 N10 R11	A3-A7 WeakPolarHBondContact O-CB 3.36Å; A3-A7 PolarHBondContact O-N 3.31Å; A3-A7 VanDerWaalsContact O-N 3.08Å; V4-A7 PolarHBondContact O-N 3.38Å; A7-N10 PolarHBondContact O-N 2.94Å; A7-R11 PolarHBondContact O-N 3.25Å
8	Q	32.2	Very low	32.8	Very low	124 Å²	124	125.2 Å²	125.2	58%	0.579	65%	0.649	S	S	*	*	H	α-helix	trans	-65.4	-43.2	173.7	-99.5	176.9	-35.5	0	0	112.1	V4 N10 R11 E12	V4-Q8 PolarHBondContact O-N 3.12Å; Q8-N10 VanDerWaalsContact C-N 3.3Å; Q8-N10 PolarHBondContact O-N 3.04Å; Q8-R11 PolarHBondContact O-N 3.06Å; Q8-E12 PolarHBondContact O-N 2.93Å
9	K	33.1	Very low	33.2	Very low	150 Å²	150	120 Å²	120	65%	0.652	62%	0.624	S	S	*	*	H	α-helix	trans	-62.1	-37	176.4	-115.8	-176.6	175.5	-175	0	112.8	A5 A6 M13	A5-K9 WeakPolarHBondContact O-CB 3.36Å; A5-K9 PolarHBondContact O-N 3.35Å; A6-K9 PolarHBondContact O-N 3.16Å; K9-M13 PolarHBondContact O-N 2.97Å; K9-M13 VanDerWaalsContact O-N 3.14Å
10	N	30.7	Very low	33.5	Very low	90 Å²	90	119.8 Å²	119.8	48%	0.481	62%	0.616	S	S	.	*	H	α-helix	trans	-68.9	-41.1	174.5	-77.4	-12.8	0	0	0	111.3	A6 A7 Q8 E12 M13 F14	A6-N10 PolarHBondContact O-N 3.36Å; A7-N10 PolarHBondContact O-N 2.94Å; Q8-N10 VanDerWaalsContact C-N 3.3Å; Q8-N10 PolarHBondContact O-N 3.04Å; N10-E12 VanDerWaalsContact C-N 3.33Å; N10-E12 PolarHBondContact O-N 3.27Å; N10-M13 PolarHBondContact O-N 3.13Å; N10-F14 VanDerWaalsContact O-CD2 3.27Å; N10-F14 WeakPolarHBondContact O-CD2 3.47Å; N10-F14 PolarHBondContact O-N 3.49Å
11	R	30.4	Very low	33.9	Very low	212 Å²	212	114.7 Å²	114.7	80%	0.8	59%	0.591	S	S	*	*	H	α-helix	trans	-62.8	-35.9	174.9	-90.7	-175	168.8	-177.5	-3	113.5	A7 Q8 F14 A15	A7-R11 PolarHBondContact O-N 3.25Å; Q8-R11 PolarHBondContact O-N 3.06Å; R11-F14 PolarHBondContact O-N 3.48Å; R11-A15 PolarHBondContact O-N 3.5Å
12	E	32.3	Very low	34	Very low	151 Å²	151	109 Å²	109	71%	0.706	56%	0.564	S	S	*	*	H	α-helix	trans	-72.9	-32	176.6	-74.1	-179.2	176.9	0	0	113	Q8 N10 F14	Q8-E12 PolarHBondContact O-N 2.93Å; N10-E12 VanDerWaalsContact C-N 3.33Å; N10-E12 PolarHBondContact O-N 3.27Å; E12-F14 VanDerWaalsContact C-N 3.29Å; E12-F14 PolarHBondContact O-N 2.97Å
13	M	30.9	Very low	34.1	Very low	123 Å²	123	105.6 Å²	105.6	61%	0.606	55%	0.546	S	S	*	.	H	α-helix	trans	-70	-25.1	174.2	-95.7	-164	-64.7	0	0	113.8	K9 N10	K9-M13 PolarHBondContact O-N 2.97Å; K9-M13 VanDerWaalsContact O-N 3.14Å; N10-M13 PolarHBondContact O-N 3.13Å
14	F	31.9	Very low	34.4	Very low	140 Å²	140	105.8 Å²	105.8	61%	0.614	54%	0.535	S	S	*	.	S	Bend	trans	-109.6	6.1	-178.9	-70.9	-78	0	0	0	113.8	N10 R11 E12 I16	N10-F14 VanDerWaalsContact O-CD2 3.27Å; N10-F14 WeakPolarHBondContact O-CD2 3.47Å; N10-F14 PolarHBondContact O-N 3.49Å; R11-F14 PolarHBondContact O-N 3.48Å; E12-F14 VanDerWaalsContact C-N 3.29Å; E12-F14 PolarHBondContact O-N 2.97Å; F14-I16 PolarHBondContact O-N 3.4Å
15	A	29.9	Very low	34.5	Very low	63 Å²	63	103.1 Å²	103.1	52%	0.521	53%	0.527	S	S	.	.	S	Bend	trans	-53.6	118.8	172.1	0	0	0	0	0	107.9	R11 K17	R11-A15 PolarHBondContact O-N 3.5Å; A15-K17 VanDerWaalsContact C-N 3.26Å; A15-K17 PolarHBondContact O-N 3Å
16	I	37.8	Very low	34.8	Very low	159 Å²	159	106.9 Å²	106.9	82%	0.815	53%	0.53	S	S	*	.			trans	-49	91.8	179	-59.1	160.4	0	0	0	107.1	F14 K18	F14-I16 PolarHBondContact O-N 3.4Å; I16-K18 PolarHBondContact O-N 3.36Å
17	K	33.1	Very low	35.1	Very low	172 Å²	172	110 Å²	110	75%	0.748	55%	0.546	S	S	*	.			trans	-68.8	110.9	164.2	-81.3	-168.2	175.1	-173.4	0	103.7	A15	A15-K17 VanDerWaalsContact C-N 3.26Å; A15-K17 PolarHBondContact O-N 3Å
18	K	36.6	Very low	35.2	Very low	132 Å²	132	109.8 Å²	109.8	57%	0.574	54%	0.541	S	S	*	.			trans	-43.6	143.4	161.6	-73.7	175.2	176.2	-168.4	0	106.7	I16 Y20 I22 E23	I16-K18 PolarHBondContact O-N 3.36Å; K18-Y20 PolarHBondContact O-N 3.37Å; K18-I22 HydrophobicContact CB-CB 4.2Å; K18-I22 HydrophobicContact CB-CG2 3.95Å; K18-I22 HydrophobicContact CD-CG2 3.97Å; K18-I22 HydrophobicContact CG-CG2 4.23Å; K18-E23 HydrophobicContact CB-CG 3.55Å
19	S	40.9	Very low	35.6	Very low	27 Å²	27	114.5 Å²	114.5	19%	0.189	55%	0.553	C	S	.	*			trans	-49	146.8	178.5	61.3	0	0	0	0	109.2	S21 I22 E23 E40	S19-S21 PolarHBondContact O-N 2.99Å; S19-S21 VanDerWaalsContact O-N 3.11Å; S19-S21 PolarHBondContact OG-OG 3.33Å; S19-I22 WeakPolarHBondContact O-CA 3.47Å; S19-I22 PolarHBondContact O-N 3.26Å; S19-I22 WeakPolarHBondContact OG-CB 3.48Å; S19-I22 WeakPolarHBondContact OG-CD1 3.39Å; S19-I22 WeakPolarHBondContact OG-CG1 3.24Å; S19-I22 PolarHBondContact OG-N 3.44Å; S19-E23 PolarHBondContact O-N 3.07Å; S19-E40 WeakPolarHBondContact CB-OE2 3.4Å
20	Y	39	Very low	36	Very low	115 Å²	115	116.4 Å²	116.4	45%	0.451	56%	0.556	S	S	.	*	H	α-helix	trans	-56.8	-32.1	-178.7	-173.3	-88.8	0	0	0	110.7	K18 N24 E40	K18-Y20 PolarHBondContact O-N 3.37Å; Y20-N24 HydrophobicContact CD1-CB 4.46Å; Y20-N24 WeakPolarHBondContact CD1-ND2 3.49Å; Y20-N24 WeakPolarHBondContact CD2-ND2 3.49Å; Y20-N24 HydrophobicContact CE1-CB 4.19Å; Y20-N24 WeakPolarHBondContact CE1-ND2 3.25Å; Y20-N24 WeakPolarHBondContact CE2-ND2 3.43Å; Y20-N24 VanDerWaalsContact CG-ND2 3.29Å; Y20-N24 WeakPolarHBondContact O-CB 3.43Å; Y20-N24 PolarHBondContact O-N 3.03Å; Y20-N24 PolarHBondContact O-ND2 3.44Å; Y20-E40 WeakPolarHBondContact CA-OE1 3.24Å; Y20-E40 WeakPolarHBondContact CB-OE1 3.41Å; Y20-E40 PolarHBondContact N-OE1 3.4Å
21	S	42.2	Very low	36.4	Very low	13 Å²	13	118.1 Å²	118.1	9%	0.091	56%	0.556	C	S	.	*	H	α-helix	trans	-63.6	-39.1	170.9	58.4	0	0	0	0	114.2	S19 G25 E40	S19-S21 PolarHBondContact O-N 2.99Å; S19-S21 VanDerWaalsContact O-N 3.11Å; S19-S21 PolarHBondContact OG-OG 3.33Å; S21-G25 WeakPolarHBondContact O-CA 3.27Å; S21-G25 PolarHBondContact O-N 2.86Å; S21-G25 VanDerWaalsContact O-N 3.11Å; S21-E40 PolarHBondContact N-OE1 3.36Å; S21-E40 VanDerWaalsContact N-OE1 3.13Å
22	I	40.5	Very low	37	Very low	98 Å²	98	110.4 Å²	110.4	50%	0.503	54%	0.535	S	S	.	.	H	α-helix	trans	-73.4	-40.2	175.4	-67.6	167.5	0	0	0	110.7	K18 S19	K18-I22 HydrophobicContact CB-CB 4.2Å; K18-I22 HydrophobicContact CB-CG2 3.95Å; K18-I22 HydrophobicContact CD-CG2 3.97Å; K18-I22 HydrophobicContact CG-CG2 4.23Å; S19-I22 WeakPolarHBondContact O-CA 3.47Å; S19-I22 PolarHBondContact O-N 3.26Å; S19-I22 WeakPolarHBondContact OG-CB 3.48Å; S19-I22 WeakPolarHBondContact OG-CD1 3.39Å; S19-I22 WeakPolarHBondContact OG-CG1 3.24Å; S19-I22 PolarHBondContact OG-N 3.44Å
23	E	37.5	Very low	37.4	Very low	102 Å²	102	105.2 Å²	105.2	48%	0.477	51%	0.511	S	S	.	.	H	α-helix	trans	-70.7	-40	-179.8	-70.8	-166.7	155.6	0	0	113.3	K18 S19	K18-E23 HydrophobicContact CB-CG 3.55Å; S19-E23 PolarHBondContact O-N 3.07Å
24	N	38.1	Very low	37.9	Very low	86 Å²	86	102.3 Å²	102.3	46%	0.46	50%	0.5	S	S	.	.	H	α-helix	trans	-100.9	-2.5	-172.9	-59.6	-74.9	0	0	0	113.6	Y20	Y20-N24 HydrophobicContact CD1-CB 4.46Å; Y20-N24 WeakPolarHBondContact CD1-ND2 3.49Å; Y20-N24 WeakPolarHBondContact CD2-ND2 3.49Å; Y20-N24 HydrophobicContact CE1-CB 4.19Å; Y20-N24 WeakPolarHBondContact CE1-ND2 3.25Å; Y20-N24 WeakPolarHBondContact CE2-ND2 3.43Å; Y20-N24 VanDerWaalsContact CG-ND2 3.29Å; Y20-N24 WeakPolarHBondContact O-CB 3.43Å; Y20-N24 PolarHBondContact O-N 3.03Å; Y20-N24 PolarHBondContact O-ND2 3.44Å
25	G	35.2	Very low	38.5	Very low	39 Å²	39	99.8 Å²	99.8	40%	0.402	49%	0.493	S	S	.	.			trans	63.2	-179.9	-177.3	0	0	0	0	0	113.2	S21 P27	S21-G25 WeakPolarHBondContact O-CA 3.27Å; S21-G25 PolarHBondContact O-N 2.86Å; S21-G25 VanDerWaalsContact O-N 3.11Å; G25-P27 WeakPolarHBondContact O-CD 3.27Å
26	Y	36.7	Very low	39.2	Very low	137 Å²	137	97.8 Å²	97.8	54%	0.537	47%	0.474	S	S	.	.			trans	-103.7	96.6	179.2	-78.2	-90.2	0	0	0	111.3	L33	Y26-L33 HydrophobicContact CE1-CD2 3.7Å; Y26-L33 WeakPolarHBondContact OH-CD2 3.33Å
27	P	37.4	Very low	39.5	Very low	122 Å²	122	91.6 Å²	91.6	79%	0.792	45%	0.446	S	S	*	.			trans	-84.2	-11	169	11.6	-1.2	0	0	0	113.3	G25	G25-P27 WeakPolarHBondContact O-CD 3.27Å
28	S	32.5	Very low	40.2	Very low	51 Å²	51	90.8 Å²	90.8	36%	0.357	44%	0.438	S	S	.	.			trans	-143.4	124.1	-166.5	59.2	0	0	0	0	115	R30	S28-R30 PolarHBondContact O-N 3.12Å; S28-R30 VanDerWaalsContact O-N 3.1Å
29	R	40.9	Very low	40.9	Very low	222 Å²	222	89.4 Å²	89.4	84%	0.838	43%	0.433	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.5	-2.9	179.6	-124.5	179.6	-175.1	-179.6	1	115.7
30	R	40.5	Very low	41.3	Very low	190 Å²	190	90.3 Å²	90.3	72%	0.717	43%	0.434	S	S	*	.	T	Hydrogen-bonded Turn	trans	-116.6	2.5	-171.4	-79.8	-163.9	-168.7	-160.3	8.8	114.8	S28 S32	S28-R30 PolarHBondContact O-N 3.12Å; S28-R30 VanDerWaalsContact O-N 3.1Å; R30-S32 PolarHBondContact O-N 3.23Å
31	R	40.2	Very low	41.7	Very low	127 Å²	127	87.3 Å²	87.3	48%	0.479	43%	0.428	S	S	.	.			trans	-73.4	122.9	169	-82	-175.7	174.2	-139.2	7.6	108.6	L33 D36	R31-L33 PolarHBondContact O-N 3.02Å; R31-D36 WeakPolarHBondContact CB-OD2 3.38Å; R31-D36 WeakPolarHBondContact CD-OD2 3.34Å; R31-D36 IonicContact CZ-OD1 3.1Å; R31-D36 IonicContact NH1-OD1 3.87Å; R31-D36 PolarHBondContact NH1-OD1 2.95Å
32	S	43.5	Very low	42.2	Very low	50 Å²	50	91.4 Å²	91.4	35%	0.35	45%	0.448	S	S	.	.			trans	-67.6	117.2	169.8	161.8	0	0	0	0	107.1	R30 V34 D35 D36	R30-S32 PolarHBondContact O-N 3.23Å; S32-V34 PolarHBondContact O-N 3.34Å; S32-D35 WeakPolarHBondContact CB-OD2 3.29Å; S32-D35 CarbonylContact O-C 3.54Å; S32-D35 WeakPolarHBondContact O-CA 3.08Å; S32-D35 WeakPolarHBondContact O-CB 3.5Å; S32-D35 PolarHBondContact O-N 3.31Å; S32-D35 PolarHBondContact OG-N 2.63Å; S32-D35 PolarHBondContact OG-OD2 3.11Å; S32-D35 VanDerWaalsContact OG-OD2 3.05Å; S32-D36 PolarHBondContact O-N 3.33Å
33	L	40.9	Very low	42.6	Very low	41 Å²	41	89.8 Å²	89.8	22%	0.215	44%	0.442	C	S	.	.	H	α-helix	trans	-60.1	-30	178.4	-66.2	171.8	0	0	0	111.6	Y26 R31 D35 D36 A37 N254	Y26-L33 HydrophobicContact CE1-CD2 3.7Å; Y26-L33 WeakPolarHBondContact OH-CD2 3.33Å; R31-L33 PolarHBondContact O-N 3.02Å; L33-D35 VanDerWaalsContact C-N 3.33Å; L33-D36 PolarHBondContact O-N 3.18Å; L33-A37 VanDerWaalsContact O-CB 3.27Å; L33-A37 WeakPolarHBondContact O-CB 3.08Å; L33-A37 PolarHBondContact O-N 3.31Å; L33-N254 HydrophobicContact CD1-CB 4.39Å
34	V	40.5	Very low	43.2	Very low	62 Å²	62	87.2 Å²	87.2	38%	0.376	43%	0.434	S	S	.	.	H	α-helix	trans	-65.2	-38.8	172.1	-179.6	0	0	0	0	110.9	S32 R38	S32-V34 PolarHBondContact O-N 3.34Å; V34-R38 VanDerWaalsContact O-CB 3.31Å; V34-R38 WeakPolarHBondContact O-CB 3.44Å; V34-R38 WeakPolarHBondContact O-CG 3.27Å; V34-R38 PolarHBondContact O-N 3.28Å
35	D	44.5	Very low	43.7	Very low	87 Å²	87	86.1 Å²	86.1	47%	0.465	43%	0.425	S	S	.	.	H	α-helix	trans	-76.3	-34.7	178.1	-65.2	-35.8	0	0	0	111.9	S32 L33 R38 F39	S32-D35 WeakPolarHBondContact CB-OD2 3.29Å; S32-D35 CarbonylContact O-C 3.54Å; S32-D35 WeakPolarHBondContact O-CA 3.08Å; S32-D35 WeakPolarHBondContact O-CB 3.5Å; S32-D35 PolarHBondContact O-N 3.31Å; S32-D35 PolarHBondContact OG-N 2.63Å; S32-D35 PolarHBondContact OG-OD2 3.11Å; S32-D35 VanDerWaalsContact OG-OD2 3.05Å; L33-D35 VanDerWaalsContact C-N 3.33Å; D35-R38 PolarHBondContact O-N 2.83Å; D35-F39 WeakPolarHBondContact O-CB 3.12Å; D35-F39 PolarHBondContact O-N 3.26Å
36	D	45	Very low	44.6	Very low	21 Å²	21	91 Å²	91	11%	0.112	44%	0.437	C	S	.	.	H	α-helix	trans	-66.5	-43.7	171.6	-80.6	-23.3	0	0	0	110.6	R31 S32 L33 F39 E40	R31-D36 WeakPolarHBondContact CB-OD2 3.38Å; R31-D36 WeakPolarHBondContact CD-OD2 3.34Å; R31-D36 IonicContact CZ-OD1 3.1Å; R31-D36 IonicContact NH1-OD1 3.87Å; R31-D36 PolarHBondContact NH1-OD1 2.95Å; S32-D36 PolarHBondContact O-N 3.33Å; L33-D36 PolarHBondContact O-N 3.18Å; D36-F39 CarbonylContact O-C 3.53Å; D36-F39 PolarHBondContact O-N 3.47Å; D36-E40 WeakPolarHBondContact O-CB 3.38Å; D36-E40 WeakPolarHBondContact O-CG 3.34Å; D36-E40 PolarHBondContact O-N 3.39Å
37	A	43.7	Very low	45.4	Very low	29 Å²	29	89.7 Å²	89.7	24%	0.24	44%	0.444	C	S	.	.	H	α-helix	trans	-59.6	-47.3	172.3	0	0	0	0	0	111.1	L33 F39 E40 T41	L33-A37 VanDerWaalsContact O-CB 3.27Å; L33-A37 WeakPolarHBondContact O-CB 3.08Å; L33-A37 PolarHBondContact O-N 3.31Å; A37-F39 VanDerWaalsContact C-N 3.3Å; A37-F39 PolarHBondContact O-N 2.91Å; A37-E40 PolarHBondContact O-N 3.01Å; A37-T41 WeakPolarHBondContact O-CB 3.22Å; A37-T41 PolarHBondContact O-N 3Å; A37-T41 PolarHBondContact O-OG1 2.85Å
38	R	48.7	Very low	46.1	Very low	155 Å²	155	87.2 Å²	87.2	59%	0.585	42%	0.421	S	S	*	.	H	α-helix	trans	-60.5	-38.3	174.2	-78	172.2	174.3	-174.7	-2.5	112.5	V34 D35 L42	V34-R38 VanDerWaalsContact O-CB 3.31Å; V34-R38 WeakPolarHBondContact O-CB 3.44Å; V34-R38 WeakPolarHBondContact O-CG 3.27Å; V34-R38 PolarHBondContact O-N 3.28Å; D35-R38 PolarHBondContact O-N 2.83Å; R38-L42 WeakPolarHBondContact O-CB 3.4Å; R38-L42 WeakPolarHBondContact O-CD1 3.38Å; R38-L42 WeakPolarHBondContact O-CG 3.44Å; R38-L42 PolarHBondContact O-N 3.38Å
39	F	49.9	Very low	47.3	Very low	104 Å²	104	88 Å²	88	46%	0.456	42%	0.418	S	S	.	.	H	α-helix	trans	-70.2	-42.8	178.5	-178.4	-98.6	0	0	0	111.3	D35 D36 A37 L42 V43	D35-F39 WeakPolarHBondContact O-CB 3.12Å; D35-F39 PolarHBondContact O-N 3.26Å; D36-F39 CarbonylContact O-C 3.53Å; D36-F39 PolarHBondContact O-N 3.47Å; A37-F39 VanDerWaalsContact C-N 3.3Å; A37-F39 PolarHBondContact O-N 2.91Å; F39-L42 CarbonylContact O-C 3.58Å; F39-L42 WeakPolarHBondContact O-CB 3.35Å; F39-L42 PolarHBondContact O-N 2.98Å; F39-L42 VanDerWaalsContact O-N 3.16Å; F39-V43 HydrophobicContact CD1-CG2 3.98Å; F39-V43 HydrophobicContact CD2-CG2 4.3Å; F39-V43 HydrophobicContact CE1-CG2 3.56Å; F39-V43 HydrophobicContact CE2-CG2 3.91Å; F39-V43 HydrophobicContact CG-CG2 4.34Å; F39-V43 HydrophobicContact CZ-CG2 3.52Å; F39-V43 WeakPolarHBondContact O-CB 3.32Å; F39-V43 WeakPolarHBondContact O-CG2 3.13Å; F39-V43 PolarHBondContact O-N 3.48Å
40	E	49.7	Very low	48.2	Very low	46 Å²	46	82.3 Å²	82.3	22%	0.215	41%	0.409	C	S	.	.	H	α-helix	trans	-60.3	-47.3	172.2	-74.7	-177.5	-173.5	0	0	110.2	S19 Y20 S21 D36 A37 L42 V43 V44	S19-E40 WeakPolarHBondContact CB-OE2 3.4Å; Y20-E40 WeakPolarHBondContact CA-OE1 3.24Å; Y20-E40 WeakPolarHBondContact CB-OE1 3.41Å; Y20-E40 PolarHBondContact N-OE1 3.4Å; S21-E40 PolarHBondContact N-OE1 3.36Å; S21-E40 VanDerWaalsContact N-OE1 3.13Å; D36-E40 WeakPolarHBondContact O-CB 3.38Å; D36-E40 WeakPolarHBondContact O-CG 3.34Å; D36-E40 PolarHBondContact O-N 3.39Å; A37-E40 PolarHBondContact O-N 3.01Å; E40-L42 VanDerWaalsContact C-N 3.28Å; E40-L42 PolarHBondContact O-N 3.27Å; E40-V43 PolarHBondContact O-N 3.47Å; E40-V44 VanDerWaalsContact O-CB 3.29Å; E40-V44 WeakPolarHBondContact O-CB 3.34Å; E40-V44 VanDerWaalsContact O-CG2 3.29Å; E40-V44 WeakPolarHBondContact O-CG2 3.49Å; E40-V44 PolarHBondContact O-N 3.46Å
41	T	47.7	Very low	49.2	Very low	51 Å²	51	78.1 Å²	78.1	31%	0.313	40%	0.404	S	S	.	.	H	α-helix	trans	-55.4	-44.7	172.5	-52.6	0	0	0	0	110.6	A37 K45	A37-T41 WeakPolarHBondContact O-CB 3.22Å; A37-T41 PolarHBondContact O-N 3Å; A37-T41 PolarHBondContact O-OG1 2.85Å; T41-K45 WeakPolarHBondContact O-CA 3.26Å; T41-K45 WeakPolarHBondContact O-CB 3.15Å; T41-K45 PolarHBondContact O-N 3.5Å
42	L	51.9	Low	50.2	Low	100 Å²	100	72.7 Å²	72.7	52%	0.524	38%	0.384	S	S	.	.	H	α-helix	trans	-67.5	-44.3	-180	-85.9	161.9	0	0	0	113.6	R38 F39 E40 K45 Q46	R38-L42 WeakPolarHBondContact O-CB 3.4Å; R38-L42 WeakPolarHBondContact O-CD1 3.38Å; R38-L42 WeakPolarHBondContact O-CG 3.44Å; R38-L42 PolarHBondContact O-N 3.38Å; F39-L42 CarbonylContact O-C 3.58Å; F39-L42 WeakPolarHBondContact O-CB 3.35Å; F39-L42 PolarHBondContact O-N 2.98Å; F39-L42 VanDerWaalsContact O-N 3.16Å; E40-L42 VanDerWaalsContact C-N 3.28Å; E40-L42 PolarHBondContact O-N 3.27Å; L42-K45 WeakPolarHBondContact O-CB 3.31Å; L42-K45 PolarHBondContact O-N 3.29Å; L42-Q46 PolarHBondContact O-N 3.18Å
43	V	49.5	Very low	51.3	Low	63 Å²	63	74.8 Å²	74.8	38%	0.382	39%	0.389	S	S	.	.	H	α-helix	trans	-71.9	-43.4	-177.4	170.8	0	0	0	0	110.8	F39 E40 K45 T47	F39-V43 HydrophobicContact CD1-CG2 3.98Å; F39-V43 HydrophobicContact CD2-CG2 4.3Å; F39-V43 HydrophobicContact CE1-CG2 3.56Å; F39-V43 HydrophobicContact CE2-CG2 3.91Å; F39-V43 HydrophobicContact CG-CG2 4.34Å; F39-V43 HydrophobicContact CZ-CG2 3.52Å; F39-V43 WeakPolarHBondContact O-CB 3.32Å; F39-V43 WeakPolarHBondContact O-CG2 3.13Å; F39-V43 PolarHBondContact O-N 3.48Å; E40-V43 PolarHBondContact O-N 3.47Å; V43-K45 VanDerWaalsContact C-N 3.33Å; V43-T47 PolarHBondContact O-N 3.22Å; V43-T47 PolarHBondContact O-OG1 3.2Å
44	V	50.4	Low	52.6	Low	48 Å²	48	78.2 Å²	78.2	29%	0.291	40%	0.403	S	S	.	.	H	α-helix	trans	-66.2	-38.9	173	177.9	0	0	0	0	109.8	E40 K48	E40-V44 VanDerWaalsContact O-CB 3.29Å; E40-V44 WeakPolarHBondContact O-CB 3.34Å; E40-V44 VanDerWaalsContact O-CG2 3.29Å; E40-V44 WeakPolarHBondContact O-CG2 3.49Å; E40-V44 PolarHBondContact O-N 3.46Å; V44-K48 HydrophobicContact CG1-CD 3.89Å; V44-K48 HydrophobicContact CG1-CG 4.49Å; V44-K48 WeakPolarHBondContact O-CB 3.4Å; V44-K48 PolarHBondContact O-N 2.81Å; V44-K48 VanDerWaalsContact O-N 3.13Å
45	K	49.3	Very low	53.5	Low	63 Å²	63	76.3 Å²	76.3	27%	0.274	39%	0.394	S	S	.	.	H	α-helix	trans	-57.2	-61.6	171.2	-108.2	178.5	161.6	148.4	0	111.1	T41 L42 V43 T47 K48 Q49 D265	T41-K45 WeakPolarHBondContact O-CA 3.26Å; T41-K45 WeakPolarHBondContact O-CB 3.15Å; T41-K45 PolarHBondContact O-N 3.5Å; L42-K45 WeakPolarHBondContact O-CB 3.31Å; L42-K45 PolarHBondContact O-N 3.29Å; V43-K45 VanDerWaalsContact C-N 3.33Å; K45-T47 PolarHBondContact O-N 3.44Å; K45-T47 VanDerWaalsContact O-N 3.11Å; K45-K48 PolarHBondContact O-N 2.93Å; K45-K48 VanDerWaalsContact O-N 3.08Å; K45-Q49 WeakPolarHBondContact O-CA 3.44Å; K45-Q49 WeakPolarHBondContact O-CB 3.27Å; K45-Q49 PolarHBondContact O-N 3.16Å; K45-D265 IonicContact NZ-OD2 3.1Å; K45-D265 PolarHBondContact NZ-OD2 3.41Å
46	Q	53.6	Low	54.6	Low	141 Å²	141	73.5 Å²	73.5	66%	0.659	38%	0.377	S	S	*	.	H	α-helix	trans	-56.1	-38.2	-171.7	-83.3	-173.5	-14	0	0	112.8	L42	L42-Q46 PolarHBondContact O-N 3.18Å
47	T	53.2	Low	55.6	Low	111 Å²	111	75.8 Å²	75.8	68%	0.681	40%	0.395	S	S	*	.	H	α-helix	trans	-75.5	-35.1	-178.2	-42.4	0	0	0	0	112.4	V43 K45	V43-T47 PolarHBondContact O-N 3.22Å; V43-T47 PolarHBondContact O-OG1 3.2Å; K45-T47 PolarHBondContact O-N 3.44Å; K45-T47 VanDerWaalsContact O-N 3.11Å
48	K	52.8	Low	56.6	Low	70 Å²	70	80.5 Å²	80.5	30%	0.304	41%	0.41	S	S	.	.	H	α-helix	trans	-91.4	-26.5	-178.9	-69.5	-174.1	174.7	-179	0	113.8	V44 K45 T50 V51 L52	V44-K48 HydrophobicContact CG1-CD 3.89Å; V44-K48 HydrophobicContact CG1-CG 4.49Å; V44-K48 WeakPolarHBondContact O-CB 3.4Å; V44-K48 PolarHBondContact O-N 2.81Å; V44-K48 VanDerWaalsContact O-N 3.13Å; K45-K48 PolarHBondContact O-N 2.93Å; K45-K48 VanDerWaalsContact O-N 3.08Å; K48-T50 PolarHBondContact O-N 2.83Å; K48-V51 PolarHBondContact O-N 2.83Å; K48-L52 HydrophobicContact CB-CD1 3.79Å; K48-L52 HydrophobicContact CB-CG 4.46Å; K48-L52 WeakPolarHBondContact O-CB 3.34Å; K48-L52 VanDerWaalsContact O-CG 3.27Å; K48-L52 WeakPolarHBondContact O-CG 3.36Å; K48-L52 PolarHBondContact O-N 2.9Å
49	Q	57.5	Low	57.2	Low	66 Å²	66	75.1 Å²	75.1	31%	0.308	40%	0.398	S	S	.	.	H	α-helix	trans	-65.4	-37	-166.3	-177.5	169.2	-0.1	0	0	112.3	K45 V51 L52 E53	K45-Q49 WeakPolarHBondContact O-CA 3.44Å; K45-Q49 WeakPolarHBondContact O-CB 3.27Å; K45-Q49 PolarHBondContact O-N 3.16Å; Q49-V51 PolarHBondContact O-N 2.8Å; Q49-L52 PolarHBondContact O-N 2.99Å; Q49-E53 HydrophobicContact CG-CG 4.04Å; Q49-E53 WeakPolarHBondContact CG-OE1 3.36Å; Q49-E53 PolarHBondContact NE2-OE1 2.79Å; Q49-E53 VanDerWaalsContact O-CB 3.25Å; Q49-E53 WeakPolarHBondContact O-CB 3.27Å; Q49-E53 VanDerWaalsContact O-CG 3.24Å; Q49-E53 WeakPolarHBondContact O-CG 3.38Å; Q49-E53 PolarHBondContact O-N 2.87Å
50	T	59.8	Low	57.6	Low	104 Å²	104	73.1 Å²	73.1	64%	0.638	39%	0.393	S	S	*	.	H	α-helix	trans	-63.4	-43.2	178.1	-40.6	0	0	0	0	112.4	K48 E54	K48-T50 PolarHBondContact O-N 2.83Å; T50-E54 PolarHBondContact O-N 2.81Å
51	V	60.9	Low	57.8	Low	101 Å²	101	77.1 Å²	77.1	61%	0.612	42%	0.416	S	S	*	.	H	α-helix	trans	-70.6	-39.7	178.7	179.5	0	0	0	0	110.7	K48 Q49 E54 A55	K48-V51 PolarHBondContact O-N 2.83Å; Q49-V51 PolarHBondContact O-N 2.8Å; V51-E54 PolarHBondContact O-N 3.13Å; V51-A55 PolarHBondContact O-N 2.84Å; V51-A55 VanDerWaalsContact O-N 3.12Å
52	L	61.5	Low	57.5	Low	14 Å²	14	81 Å²	81	7%	0.073	43%	0.434	C	S	.	.	H	α-helix	trans	-70	-36.7	178.4	-68.3	170.1	0	0	0	112.3	K48 Q49 E54 A55 R56 L266 M268 F273	K48-L52 HydrophobicContact CB-CD1 3.79Å; K48-L52 HydrophobicContact CB-CG 4.46Å; K48-L52 WeakPolarHBondContact O-CB 3.34Å; K48-L52 VanDerWaalsContact O-CG 3.27Å; K48-L52 WeakPolarHBondContact O-CG 3.36Å; K48-L52 PolarHBondContact O-N 2.9Å; Q49-L52 PolarHBondContact O-N 2.99Å; L52-E54 VanDerWaalsContact C-N 3.33Å; L52-A55 PolarHBondContact O-N 2.99Å; L52-R56 WeakPolarHBondContact O-CB 3.38Å; L52-R56 WeakPolarHBondContact O-CG 3.41Å; L52-R56 PolarHBondContact O-N 2.82Å; L52-L266 HydrophobicContact CD1-CD2 3.99Å; L52-M268 HydrophobicContact CD2-CG 3.92Å; L52-M268 HydrophobicContact CD2-SD 4.36Å; L52-F273 HydrophobicContact CD2-CE2 4.01Å; L52-F273 HydrophobicContact CD2-CZ 4.05Å
53	E	66.4	Low	57.1	Low	94 Å²	94	79 Å²	79	44%	0.439	43%	0.429	S	S	.	.	H	α-helix	trans	-63.5	-39	175.2	-79.9	175.7	-178.5	0	0	111.7	Q49 R56 S57	Q49-E53 HydrophobicContact CG-CG 4.04Å; Q49-E53 WeakPolarHBondContact CG-OE1 3.36Å; Q49-E53 PolarHBondContact NE2-OE1 2.79Å; Q49-E53 VanDerWaalsContact O-CB 3.25Å; Q49-E53 WeakPolarHBondContact O-CB 3.27Å; Q49-E53 VanDerWaalsContact O-CG 3.24Å; Q49-E53 WeakPolarHBondContact O-CG 3.38Å; Q49-E53 PolarHBondContact O-N 2.87Å; E53-R56 PolarHBondContact O-N 3.1Å; E53-S57 PolarHBondContact O-N 2.89Å
54	E	67.4	Low	56.7	Low	112 Å²	112	82.7 Å²	82.7	52%	0.523	45%	0.445	S	S	.	.	H	α-helix	trans	-65.9	-43.6	173.9	-160.2	-168.2	147	0	0	111.7	T50 V51 L52 R56 S57 K58	T50-E54 PolarHBondContact O-N 2.81Å; V51-E54 PolarHBondContact O-N 3.13Å; L52-E54 VanDerWaalsContact C-N 3.33Å; E54-R56 VanDerWaalsContact C-N 3.31Å; E54-R56 PolarHBondContact O-N 2.86Å; E54-S57 PolarHBondContact O-N 3.5Å; E54-K58 WeakPolarHBondContact O-CG 3.34Å; E54-K58 PolarHBondContact O-N 3.25Å; E54-K58 IonicContact OE1-NZ 2.83Å; E54-K58 PolarHBondContact OE1-NZ 3.47Å
55	A	61	Low	56.1	Low	22 Å²	22	88 Å²	88	18%	0.182	47%	0.467	C	S	.	.	H	α-helix	trans	-62.3	-37.4	175	0	0	0	0	0	112.2	V51 L52 K58 A59 M268	V51-A55 PolarHBondContact O-N 2.84Å; V51-A55 VanDerWaalsContact O-N 3.12Å; L52-A55 PolarHBondContact O-N 2.99Å; A55-K58 PolarHBondContact O-N 2.89Å; A55-A59 PolarHBondContact O-N 2.81Å; A55-M268 HydrophobicContact CB-CE 3.86Å; A55-M268 HydrophobicContact CB-SD 4.26Å
56	R	67.1	Low	55.6	Low	29 Å²	29	90 Å²	90	11%	0.109	48%	0.481	C	S	.	.	H	α-helix	trans	-69.3	-38.6	176.4	-73.5	166.6	-173.3	-178.5	-4.4	113.2	L52 E53 E54 K58 A59 N60 D265 F273	L52-R56 WeakPolarHBondContact O-CB 3.38Å; L52-R56 WeakPolarHBondContact O-CG 3.41Å; L52-R56 PolarHBondContact O-N 2.82Å; E53-R56 PolarHBondContact O-N 3.1Å; E54-R56 VanDerWaalsContact C-N 3.31Å; E54-R56 PolarHBondContact O-N 2.86Å; R56-K58 PolarHBondContact O-N 3.15Å; R56-A59 PolarHBondContact O-N 3.3Å; R56-N60 WeakPolarHBondContact O-CB 3.34Å; R56-N60 PolarHBondContact O-N 3.35Å; R56-N60 PolarHBondContact O-ND2 3.29Å; R56-D265 IonicContact CZ-OD1 2.67Å; R56-D265 PolarHBondContact NH2-O 3.07Å; R56-D265 IonicContact NH2-OD1 3.67Å; R56-D265 PolarHBondContact NH2-OD1 2.89Å; R56-D265 VanDerWaalsContact NH2-OD1 3.12Å; R56-F273 HydrophobicContact CG-CD1 4.43Å; R56-F273 HydrophobicContact CG-CE1 3.64Å; R56-F273 HydrophobicContact CG-CE2 4.24Å; R56-F273 HydrophobicContact CG-CZ 3.53Å
57	S	66.3	Low	55	Low	69 Å²	69	87.1 Å²	87.1	48%	0.483	48%	0.475	S	S	.	.	H	α-helix	trans	-61.4	-41	176.1	-164.6	0	0	0	0	109.9	E53 E54 D61	E53-S57 PolarHBondContact O-N 2.89Å; E54-S57 PolarHBondContact O-N 3.5Å; S57-D61 PolarHBondContact O-N 3.41Å
58	K	64	Low	54.1	Low	127 Å²	127	86.6 Å²	86.6	55%	0.552	47%	0.467	S	S	*	.	H	α-helix	trans	-64.8	-41.6	175.8	-68.1	172.2	-173.2	165	0	112.4	E54 A55 R56	E54-K58 WeakPolarHBondContact O-CG 3.34Å; E54-K58 PolarHBondContact O-N 3.25Å; E54-K58 IonicContact OE1-NZ 2.83Å; E54-K58 PolarHBondContact OE1-NZ 3.47Å; A55-K58 PolarHBondContact O-N 2.89Å; R56-K58 PolarHBondContact O-N 3.15Å
59	A	60.6	Low	53.5	Low	42 Å²	42	87 Å²	87	35%	0.347	48%	0.475	S	S	.	.	H	α-helix	trans	-73.9	-28.3	-179.9	0	0	0	0	0	114.3	A55 R56 A274	A55-A59 PolarHBondContact O-N 2.81Å; R56-A59 PolarHBondContact O-N 3.3Å; A59-A274 HydrophobicContact CB-CB 4.24Å
60	N	59.9	Low	52.5	Low	63 Å²	63	90.1 Å²	90.1	34%	0.337	49%	0.49	S	S	.	.	H	α-helix	trans	-81.4	-22.2	177	-78.9	-55.6	0	0	0	113.4	R56 D62 A274	R56-N60 WeakPolarHBondContact O-CB 3.34Å; R56-N60 PolarHBondContact O-N 3.35Å; R56-N60 PolarHBondContact O-ND2 3.29Å; N60-D62 VanDerWaalsContact C-N 3.27Å; N60-A274 PolarHBondContact OD1-O 2.99Å
61	D	52.3	Low	51.2	Low	130 Å²	130	88.5 Å²	88.5	70%	0.695	49%	0.487	S	S	*	.	H	α-helix	trans	-74.6	-18.7	178.5	-83.7	-17.8	0	0	0	112.4	S57 S63	S57-D61 PolarHBondContact O-N 3.41Å; D61-S63 PolarHBondContact O-N 3.42Å; D61-S63 VanDerWaalsContact O-N 3.15Å
62	D	42.6	Very low	50	Low	132 Å²	132	90.2 Å²	90.2	71%	0.706	49%	0.489	S	S	*	.	S	Bend	trans	-75.9	101.2	167.3	-70.7	-23.5	0	0	0	108.1	N60 L64	N60-D62 VanDerWaalsContact C-N 3.27Å; D62-L64 PolarHBondContact O-N 3.07Å; D62-L64 VanDerWaalsContact O-N 3.09Å
63	S	43.8	Very low	48.9	Very low	59 Å²	59	97 Å²	97	41%	0.413	52%	0.52	S	S	.	.			trans	-53.1	112.1	-169.1	40.7	0	0	0	0	113.2	D61 E65 D66	D61-S63 PolarHBondContact O-N 3.42Å; D61-S63 VanDerWaalsContact O-N 3.15Å; S63-E65 PolarHBondContact O-N 3.26Å; S63-D66 PolarHBondContact O-N 3.19Å; S63-D66 PolarHBondContact OG-OD2 2.79Å
64	L	40.1	Very low	47.3	Very low	139 Å²	139	100.5 Å²	100.5	73%	0.728	54%	0.536	S	S	*	.	H	α-helix	trans	-50.5	-22.5	174.8	-162.2	76.3	0	0	0	113.6	D62 I68	D62-L64 PolarHBondContact O-N 3.07Å; D62-L64 VanDerWaalsContact O-N 3.09Å; L64-I68 WeakPolarHBondContact O-CG1 3.36Å
65	E	37.1	Very low	45.4	Very low	160 Å²	160	101.3 Å²	101.3	75%	0.748	54%	0.543	S	S	*	.	H	α-helix	trans	-68.9	-35	175.8	-73.1	-173.7	160.7	0	0	113.2	S63 I68 V69	S63-E65 PolarHBondContact O-N 3.26Å; E65-I68 PolarHBondContact O-N 2.57Å; E65-V69 PolarHBondContact O-N 3.49Å
66	D	40.9	Very low	43.9	Very low	104 Å²	104	105.9 Å²	105.9	56%	0.556	57%	0.57	S	S	*	*	H	α-helix	trans	-73.4	-31.6	-178.9	-77.7	-24.5	0	0	0	112	S63 V69 Q70	S63-D66 PolarHBondContact O-N 3.19Å; S63-D66 PolarHBondContact OG-OD2 2.79Å; D66-V69 PolarHBondContact O-N 3.46Å; D66-Q70 PolarHBondContact O-N 2.74Å; D66-Q70 VanDerWaalsContact O-N 3.09Å
67	C	40.4	Very low	42.2	Very low	81 Å²	81	108.8 Å²	108.8	55%	0.547	60%	0.595	S	S	.	*	H	α-helix	trans	-72.2	-31.8	177.7	-65.2	0	0	0	0	112.9	V69 A71	C67-V69 VanDerWaalsContact C-N 3.32Å; C67-A71 WeakPolarHBondContact O-CB 3.31Å; C67-A71 PolarHBondContact O-N 3.1Å; C67-A71 VanDerWaalsContact O-N 3.08Å
68	I	33.8	Very low	40.5	Very low	100 Å²	100	114.9 Å²	114.9	51%	0.513	62%	0.616	S	S	.	*	H	α-helix	trans	-67.7	-37.1	176.1	-66.3	170.8	0	0	0	110.3	L64 E65 Q72	L64-I68 WeakPolarHBondContact O-CG1 3.36Å; E65-I68 PolarHBondContact O-N 2.57Å; I68-Q72 PolarHBondContact O-N 2.84Å
69	V	40.2	Very low	39	Very low	78 Å²	78	116.4 Å²	116.4	47%	0.473	63%	0.625	S	S	.	*	H	α-helix	trans	-71	-43.5	177.5	179.5	0	0	0	0	111.1	E65 D66 C67 A71 Q72 E73	E65-V69 PolarHBondContact O-N 3.49Å; D66-V69 PolarHBondContact O-N 3.46Å; C67-V69 VanDerWaalsContact C-N 3.32Å; V69-A71 VanDerWaalsContact C-N 3.34Å; V69-A71 PolarHBondContact O-N 3.03Å; V69-Q72 PolarHBondContact O-N 3.48Å; V69-Q72 VanDerWaalsContact O-N 3.13Å; V69-E73 PolarHBondContact O-N 3.09Å
70	Q	37	Very low	37.5	Very low	133 Å²	133	121.8 Å²	121.8	62%	0.621	65%	0.648	S	S	*	*	H	α-helix	trans	-66.7	-32.6	178.5	-78.4	-174.6	-7.7	0	0	113.7	D66 Q72 E73	D66-Q70 PolarHBondContact O-N 2.74Å; D66-Q70 VanDerWaalsContact O-N 3.09Å; Q70-Q72 PolarHBondContact O-N 3.15Å; Q70-E73 PolarHBondContact O-N 3.44Å
71	A	32.9	Very low	35.9	Very low	70 Å²	70	124.8 Å²	124.8	58%	0.579	67%	0.668	S	S	*	*	H	α-helix	trans	-69.1	-24.3	174.9	0	0	0	0	0	112.7	C67 V69	C67-A71 WeakPolarHBondContact O-CB 3.31Å; C67-A71 PolarHBondContact O-N 3.1Å; C67-A71 VanDerWaalsContact O-N 3.08Å; V69-A71 VanDerWaalsContact C-N 3.34Å; V69-A71 PolarHBondContact O-N 3.03Å
72	Q	35.7	Very low	34.7	Very low	136 Å²	136	126.9 Å²	126.9	64%	0.636	67%	0.674	S	S	*	*	H	α-helix	trans	-79.6	-26.6	173.4	-72.7	-178.1	-19.6	0	0	112.9	I68 V69 Q70 H74	I68-Q72 PolarHBondContact O-N 2.84Å; V69-Q72 PolarHBondContact O-N 3.48Å; V69-Q72 VanDerWaalsContact O-N 3.13Å; Q70-Q72 PolarHBondContact O-N 3.15Å; Q72-H74 VanDerWaalsContact C-N 3.32Å; Q72-H74 PolarHBondContact O-N 3.36Å
73	E	37.2	Very low	34	Very low	156 Å²	156	127.8 Å²	127.8	73%	0.729	68%	0.678	S	S	*	*	H	α-helix	trans	-79.3	-10.9	179	-70.1	-169.2	161.1	0	0	114.2	V69 Q70	V69-E73 PolarHBondContact O-N 3.09Å; Q70-E73 PolarHBondContact O-N 3.44Å
74	H	33.7	Very low	33.3	Very low	169 Å²	169	133.1 Å²	133.1	78%	0.782	70%	0.697	S	S	*	*	T	Hydrogen-bonded Turn	trans	-98.2	10.7	178.7	-103.9	-51.7	0	0	0	115.6	Q72 P76	Q72-H74 VanDerWaalsContact C-N 3.32Å; Q72-H74 PolarHBondContact O-N 3.36Å; H74-P76 VanDerWaalsContact O-CD 3.31Å; H74-P76 WeakPolarHBondContact O-CD 3.44Å
75	I	27	Very low	32.8	Very low	129 Å²	129	133 Å²	133	66%	0.662	70%	0.697	S	S	*	*	S	Bend	trans	-82	112.5	168.2	-56.4	176	0	0	0	107.5	S77	I75-S77 PolarHBondContact O-N 2.7Å; I75-S77 VanDerWaalsContact O-N 3.13Å
76	P	29.9	Very low	32.5	Very low	117 Å²	117	133.6 Å²	133.6	76%	0.76	70%	0.699	S	S	*	*			trans	-62.1	121.3	176.8	-13.9	28.5	0	0	0	108.2	H74 E78	H74-P76 VanDerWaalsContact O-CD 3.31Å; H74-P76 WeakPolarHBondContact O-CD 3.44Å; P76-E78 PolarHBondContact O-N 2.83Å
77	S	31.8	Very low	31.9	Very low	90 Å²	90	136.5 Å²	136.5	63%	0.629	71%	0.709	S	S	*	*			trans	-51.5	130	171.8	53.6	0	0	0	0	109.8	I75 Q79	I75-S77 PolarHBondContact O-N 2.7Å; I75-S77 VanDerWaalsContact O-N 3.13Å; S77-Q79 PolarHBondContact O-N 2.69Å
78	E	30.5	Very low	31.5	Very low	198 Å²	198	136.3 Å²	136.3	93%	0.925	71%	0.713	S	S	*	*			trans	-40.7	96.9	167.9	-66.7	170.9	155.1	0	0	110.2	P76	P76-E78 PolarHBondContact O-N 2.83Å
79	Q	32.4	Very low	31.3	Very low	158 Å²	158	138.3 Å²	138.3	74%	0.738	73%	0.725	S	S	*	*			trans	-112.3	101.8	162.4	-77.2	-174.4	-5.2	0	0	105.3	S77 V81	S77-Q79 PolarHBondContact O-N 2.69Å; Q79-V81 PolarHBondContact O-N 3.31Å
80	D	28.8	Very low	30.8	Very low	155 Å²	155	141.5 Å²	141.5	83%	0.829	74%	0.739	S	S	*	*			trans	1.6	80.4	155.8	-58.6	-46.9	0	0	0	114.2	E82	D80-E82 PolarHBondContact O-N 2.76Å; D80-E82 VanDerWaalsContact O-N 3.08Å
81	V	26.7	Very low	30.6	Very low	127 Å²	127	143.1 Å²	143.1	77%	0.77	75%	0.747	S	S	*	*			trans	-80.4	87.6	161	-178.6	0	0	0	0	105	Q79 L83	Q79-V81 PolarHBondContact O-N 3.31Å; V81-L83 PolarHBondContact O-N 3.3Å
82	E	27.2	Very low	30.6	Very low	173 Å²	173	147.4 Å²	147.4	81%	0.808	76%	0.759	S	S	*	*			trans	-54.2	101.8	166.1	-72.9	-178.9	155.9	0	0	107.9	D80 Q84	D80-E82 PolarHBondContact O-N 2.76Å; D80-E82 VanDerWaalsContact O-N 3.08Å; E82-Q84 PolarHBondContact O-N 3.04Å
83	L	27.8	Very low	30.4	Very low	152 Å²	152	147.6 Å²	147.6	80%	0.796	76%	0.764	S	S	*	*			trans	-63.7	105.5	168.2	-73.1	163.6	0	0	0	106.5	V81 D85	V81-L83 PolarHBondContact O-N 3.3Å; L83-D85 PolarHBondContact O-N 3.38Å
84	Q	29.2	Very low	30.3	Very low	171 Å²	171	145.4 Å²	145.4	80%	0.799	76%	0.763	S	S	*	*			trans	-64.2	108	170.3	-75.1	177.6	-7	0	0	107.9	E82 E86	E82-Q84 PolarHBondContact O-N 3.04Å; Q84-E86 PolarHBondContact O-N 2.72Å
85	D	28.4	Very low	30.2	Very low	137 Å²	137	145.5 Å²	145.5	73%	0.733	77%	0.769	S	S	*	*			trans	-61.1	77.4	168.4	-78.4	-37.1	0	0	0	109.8	L83 H87	L83-D85 PolarHBondContact O-N 3.38Å; D85-H87 PolarHBondContact O-N 2.84Å
86	E	30.9	Very low	30.5	Very low	172 Å²	172	148.3 Å²	148.3	80%	0.804	78%	0.779	S	S	*	*			trans	-77.5	78.3	160.6	-71.1	-161.3	160.2	0	0	108.5	Q84 A88	Q84-E86 PolarHBondContact O-N 2.72Å; E86-A88 PolarHBondContact O-N 3.43Å
87	H	29.2	Very low	30.5	Very low	164 Å²	164	151.2 Å²	151.2	76%	0.759	78%	0.783	S	S	*	*			trans	-62.3	73.6	157.7	-85.9	-75.5	0	0	0	109.4	D85 N89	D85-H87 PolarHBondContact O-N 2.84Å; H87-N89 PolarHBondContact O-N 2.93Å; H87-N89 VanDerWaalsContact O-N 3.16Å
88	A	31.7	Very low	30.4	Very low	77 Å²	77	157 Å²	157	64%	0.636	79%	0.792	S	S	*	*			trans	-77	97.8	164.9	0	0	0	0	0	108.1	E86 L90	E86-A88 PolarHBondContact O-N 3.43Å; A88-L90 PolarHBondContact O-N 2.99Å
89	N	30.1	Very low	30.6	Very low	143 Å²	143	152.9 Å²	152.9	77%	0.765	78%	0.781	S	S	*	*			trans	-43.1	99.9	166.5	-81.2	-39.3	0	0	0	111.2	H87 E91	H87-N89 PolarHBondContact O-N 2.93Å; H87-N89 VanDerWaalsContact O-N 3.16Å; N89-E91 VanDerWaalsContact C-N 3.34Å
90	L	29.2	Very low	30.5	Very low	145 Å²	145	149.6 Å²	149.6	76%	0.759	77%	0.773	S	S	*	*			trans	-104	49.5	162.8	-98.8	132.8	0	0	0	109.2	A88 L93	A88-L90 PolarHBondContact O-N 2.99Å; L90-L93 HydrophobicContact CD2-CD1 4.16Å
91	E	31.9	Very low	30.7	Very low	167 Å²	167	148 Å²	148	78%	0.78	77%	0.769	S	S	*	*			trans	-90.2	92.4	156.5	-75.3	-176.1	164.6	0	0	107.1	N89	N89-E91 VanDerWaalsContact C-N 3.34Å
92	N	33.8	Very low	30.9	Very low	159 Å²	159	150.4 Å²	150.4	85%	0.85	77%	0.771	S	S	*	*			trans	158.8	69.4	155.5	-83.7	-36	0	0	0	109.9
93	L	30.6	Very low	31.2	Very low	141 Å²	141	149.9 Å²	149.9	74%	0.738	77%	0.769	S	S	*	*			trans	-104.1	117.1	155.3	-89.6	147	0	0	0	106.6	L90 L95	L90-L93 HydrophobicContact CD2-CD1 4.16Å; L93-L95 PolarHBondContact O-N 3.01Å
94	P	35.5	Very low	31.3	Very low	109 Å²	109	149.7 Å²	149.7	71%	0.708	77%	0.769	S	S	*	*			trans	-66	134.8	-177.2	25.7	-30.7	0	0	0	109.9	E96	P94-E96 PolarHBondContact O-N 3.37Å
95	L	31.9	Very low	31.4	Very low	171 Å²	171	146.8 Å²	146.8	90%	0.895	76%	0.762	S	S	*	*			trans	-61.2	102.4	169.8	-67.9	161.2	0	0	0	107.9	L93 E97	L93-L95 PolarHBondContact O-N 3.01Å; L95-E97 PolarHBondContact O-N 3.49Å
96	E	33.4	Very low	31.4	Very low	188 Å²	188	148.9 Å²	148.9	88%	0.879	77%	0.768	S	S	*	*			trans	-69.1	115.8	167.7	-73.1	-175.2	169.3	0	0	108.1	P94 Y98	P94-E96 PolarHBondContact O-N 3.37Å; E96-Y98 PolarHBondContact O-N 2.83Å
97	E	30.1	Very low	31.3	Very low	179 Å²	179	150.1 Å²	150.1	84%	0.836	77%	0.771	S	S	*	*			trans	-59.2	117.8	177.9	-74.8	-179.8	155.6	0	0	110.1	L95 V99	L95-E97 PolarHBondContact O-N 3.49Å; E97-V99 PolarHBondContact O-N 2.87Å; E97-V99 VanDerWaalsContact O-N 3.07Å
98	Y	29.2	Very low	31.3	Very low	210 Å²	210	151 Å²	151	82%	0.824	78%	0.775	S	S	*	*			trans	-65.2	101.5	170.9	-176.8	-96	0	0	0	109.2	E96	E96-Y98 PolarHBondContact O-N 2.83Å
99	V	33.7	Very low	31.1	Very low	113 Å²	113	152.4 Å²	152.4	69%	0.685	78%	0.78	S	S	*	*			trans	-84.3	118.3	168.7	-178.4	0	0	0	0	107.8	E97 V101	E97-V99 PolarHBondContact O-N 2.87Å; E97-V99 VanDerWaalsContact O-N 3.07Å; V99-V101 PolarHBondContact O-N 2.76Å
100	P	32.1	Very low	31.1	Very low	89 Å²	89	151.3 Å²	151.3	58%	0.578	78%	0.779	S	S	*	*			trans	-66.5	122.2	175.4	-8.3	23.4	0	0	0	108.6	E102	P100-E102 PolarHBondContact O-N 2.78Å
101	V	32.5	Very low	31	Very low	122 Å²	122	153 Å²	153	74%	0.739	78%	0.783	S	S	*	*			trans	-82.9	103.7	167.7	-173.9	0	0	0	0	106.6	V99 E103	V99-V101 PolarHBondContact O-N 2.76Å; V101-E103 HydrophobicContact CG1-CG 3.91Å; V101-E103 PolarHBondContact O-N 3.36Å
102	E	31.2	Very low	30.9	Very low	177 Å²	177	153.4 Å²	153.4	83%	0.827	79%	0.785	S	S	*	*			trans	-71.7	97	164.4	-68.7	179.9	164.4	0	0	107.3	P100 D104	P100-E102 PolarHBondContact O-N 2.78Å; E102-D104 PolarHBondContact O-N 3.13Å
103	E	33	Very low	30.6	Very low	161 Å²	161	154.9 Å²	154.9	75%	0.752	79%	0.787	S	S	*	*			trans	-85.2	99.2	167.5	-77.8	-173.1	164.5	0	0	109	V101 V105	V101-E103 HydrophobicContact CG1-CG 3.91Å; V101-E103 PolarHBondContact O-N 3.36Å; E103-V105 PolarHBondContact O-N 3.16Å; E103-V105 VanDerWaalsContact O-N 3.09Å
104	D	30.2	Very low	30.5	Very low	149 Å²	149	157.1 Å²	157.1	80%	0.797	79%	0.793	S	S	*	*			trans	-64.7	98.7	163.7	-76.2	-41.9	0	0	0	109	E102 E106	E102-D104 PolarHBondContact O-N 3.13Å; D104-E106 PolarHBondContact O-N 2.92Å
105	V	31.8	Very low	30.2	Very low	110 Å²	110	157.2 Å²	157.2	67%	0.667	80%	0.796	S	S	*	*			trans	-81.4	97	171.4	-178.1	0	0	0	0	108.3	E103 F107	E103-V105 PolarHBondContact O-N 3.16Å; E103-V105 VanDerWaalsContact O-N 3.09Å; V105-F107 PolarHBondContact O-N 3.24Å
106	E	28	Very low	29.9	Very low	180 Å²	180	157.4 Å²	157.4	84%	0.841	79%	0.793	S	S	*	*			trans	-64.3	116.3	169.3	-73.9	-175.2	152.3	0	0	110	D104 E108	D104-E106 PolarHBondContact O-N 2.92Å; E106-E108 PolarHBondContact O-N 2.84Å
107	F	27.4	Very low	29.7	Very low	198 Å²	198	153.5 Å²	153.5	87%	0.868	79%	0.786	S	S	*	*			trans	-73.5	100.2	171.8	-81.4	-96.4	0	0	0	109.6	V105 S109	V105-F107 PolarHBondContact O-N 3.24Å; F107-S109 PolarHBondContact O-N 3.44Å
108	E	29.8	Very low	29.5	Very low	182 Å²	182	153.6 Å²	153.6	85%	0.85	79%	0.786	S	S	*	*			trans	-71.4	107.9	163.5	-84.1	-169.2	153.2	0	0	109.8	E106 V110	E106-E108 PolarHBondContact O-N 2.84Å; E108-V110 PolarHBondContact O-N 2.94Å
109	S	27.5	Very low	29.4	Very low	107 Å²	107	148.8 Å²	148.8	75%	0.748	78%	0.783	S	S	*	*			trans	-71	104.6	169.3	52.8	0	0	0	0	110.1	F107 E111	F107-S109 PolarHBondContact O-N 3.44Å; S109-E111 PolarHBondContact O-N 2.91Å
110	V	29.8	Very low	29.1	Very low	121 Å²	121	152.3 Å²	152.3	73%	0.733	79%	0.793	S	S	*	*			trans	-85	101.5	169	-178.4	0	0	0	0	108.6	E108 Q112	E108-V110 PolarHBondContact O-N 2.94Å; V110-Q112 HydrophobicContact CG1-CG 4.36Å; V110-Q112 PolarHBondContact O-N 3.11Å
111	E	27.5	Very low	28.8	Very low	181 Å²	181	156.8 Å²	156.8	85%	0.846	81%	0.806	S	S	*	*			trans	-67.1	104.2	166.8	-66.9	-178.9	154.3	0	0	108.9	S109	S109-E111 PolarHBondContact O-N 2.91Å
112	Q	30	Very low	28.6	Very low	174 Å²	174	156.8 Å²	156.8	81%	0.813	81%	0.808	S	S	*	*			trans	-92.6	107.4	165.7	-86.4	-175.5	-17	0	0	109.3	V110 Q114	V110-Q112 HydrophobicContact CG1-CG 4.36Å; V110-Q112 PolarHBondContact O-N 3.11Å; Q112-Q114 PolarHBondContact O-N 2.76Å
113	E	28	Very low	28.4	Very low	191 Å²	191	158 Å²	158	89%	0.893	81%	0.814	S	S	*	*			trans	-57.6	112.2	169.5	-69.4	-177.3	150.2	0	0	110.3	S115	E113-S115 PolarHBondContact O-N 3.38Å
114	Q	28.4	Very low	28.2	Very low	188 Å²	188	153.3 Å²	153.3	88%	0.879	81%	0.808	S	S	*	*			trans	-73.8	104.7	169	-72.3	178.7	-10.4	0	0	108.7	Q112 E116	Q112-Q114 PolarHBondContact O-N 2.76Å; Q114-E116 PolarHBondContact O-N 2.98Å
115	S	28.6	Very low	28.1	Very low	110 Å²	110	153.3 Å²	153.3	77%	0.769	81%	0.809	S	S	*	*			trans	-82.6	106	165.4	50.3	0	0	0	0	109.2	E113 S117	E113-S115 PolarHBondContact O-N 3.38Å; S115-S117 PolarHBondContact O-N 3.3Å; S115-S117 VanDerWaalsContact O-N 3.14Å
116	E	26.6	Very low	28	Very low	176 Å²	176	156.7 Å²	156.7	82%	0.822	82%	0.817	S	S	*	*			trans	-61.6	106.7	169.7	-66.7	180	155.7	0	0	109.6	Q114	Q114-E116 PolarHBondContact O-N 2.98Å
117	S	28.1	Very low	28	Very low	106 Å²	106	155.9 Å²	155.9	74%	0.741	81%	0.813	S	S	*	*			trans	-108.3	97.1	162.4	55.6	0	0	0	0	109.1	S115 S119	S115-S117 PolarHBondContact O-N 3.3Å; S115-S117 VanDerWaalsContact O-N 3.14Å; S117-S119 PolarHBondContact O-N 3.23Å
118	Q	26.2	Very low	28.1	Very low	180 Å²	180	152.2 Å²	152.2	84%	0.841	81%	0.809	S	S	*	*			trans	-63.5	100.3	168.6	-65.4	174.3	2.1	0	0	108.5
119	S	28	Very low	28.2	Very low	109 Å²	109	149.3 Å²	149.3	76%	0.762	80%	0.804	S	S	*	*			trans	-106.8	119.1	164.7	48.6	0	0	0	0	108.4	S117	S117-S119 PolarHBondContact O-N 3.23Å
120	Q	27.3	Very low	28.3	Very low	188 Å²	188	153.1 Å²	153.1	88%	0.879	81%	0.807	S	S	*	*	P	Polyproline II helix	trans	-65.7	126.5	-173.7	-68.3	168.7	-24.6	0	0	110.4
121	E	25.1	Very low	28.6	Very low	183 Å²	183	154.3 Å²	154.3	86%	0.855	81%	0.81	S	S	*	*	P	Polyproline II helix	trans	-61.9	127.7	167	-69.3	-178.8	157.8	0	0	109.8	E123	E121-E123 PolarHBondContact O-N 3.45Å
122	P	28.8	Very low	28.9	Very low	121 Å²	121	149.1 Å²	149.1	79%	0.786	79%	0.788	S	S	*	*	P	Polyproline II helix	trans	-78.3	116.7	164.8	29.4	-26.5	0	0	0	108.5	G124	P122-G124 PolarHBondContact O-N 2.89Å
123	E	25.8	Very low	29.3	Very low	203 Å²	203	151.9 Å²	151.9	95%	0.949	79%	0.792	S	S	*	*			trans	-60.4	79.7	167.7	-69.5	-177.5	156.3	0	0	110.6	E121	E121-E123 PolarHBondContact O-N 3.45Å
124	G	29.7	Very low	30.4	Very low	62 Å²	62	145 Å²	145	64%	0.639	77%	0.773	S	S	*	*			trans	-95.7	88.5	170.7	0	0	0	0	0	109.7	P122 Q126	P122-G124 PolarHBondContact O-N 2.89Å; G124-Q126 PolarHBondContact O-N 3.48Å
125	N	28.5	Very low	31.8	Very low	150 Å²	150	138.1 Å²	138.1	80%	0.802	74%	0.742	S	S	*	*			trans	-64.4	73.9	176.5	-159.1	15.2	0	0	0	111	Q127	N125-Q127 PolarHBondContact O-N 2.85Å
126	Q	29.2	Very low	33.6	Very low	181 Å²	181	134.8 Å²	134.8	85%	0.846	72%	0.717	S	S	*	*			trans	-88.9	92.6	171	-72.4	-174.5	10.4	0	0	108.3	G124	G124-Q126 PolarHBondContact O-N 3.48Å
127	Q	27.2	Very low	35.2	Very low	162 Å²	162	130.3 Å²	130.3	76%	0.757	70%	0.696	S	S	*	*			trans	-57.9	126.3	168.3	-84.8	169.1	-25.9	0	0	109.4	N125 T129	N125-Q127 PolarHBondContact O-N 2.85Å; Q127-T129 PolarHBondContact O-N 3.48Å
128	P	29.5	Very low	37.1	Very low	121 Å²	121	126.8 Å²	126.8	79%	0.786	67%	0.669	S	S	*	*			trans	-61.3	128.2	174.7	-8	17.6	0	0	0	109.3	K130	P128-K130 PolarHBondContact O-N 2.89Å; P128-K130 VanDerWaalsContact O-N 3.15Å
129	T	31.5	Very low	39.4	Very low	121 Å²	121	118.2 Å²	118.2	74%	0.742	63%	0.629	S	S	*	*			trans	-59.8	114.5	178	41.9	0	0	0	0	110.1	Q127 N131	Q127-T129 PolarHBondContact O-N 3.48Å; T129-N131 VanDerWaalsContact C-N 3.29Å; T129-N131 PolarHBondContact O-N 2.77Å
130	K	31	Very low	41.2	Very low	188 Å²	188	114.7 Å²	114.7	82%	0.817	60%	0.601	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80	24.9	-160.1	-131.5	179.5	-172.2	179.8	0	116.4	P128	P128-K130 PolarHBondContact O-N 2.89Å; P128-K130 VanDerWaalsContact O-N 3.15Å
131	N	36	Very low	43.2	Very low	146 Å²	146	110.6 Å²	110.6	78%	0.781	59%	0.585	S	S	*	*	T	Hydrogen-bonded Turn	trans	-122	4.6	-162.9	-96.8	1.2	0	0	0	118.1	T129	T129-N131 VanDerWaalsContact C-N 3.29Å; T129-N131 PolarHBondContact O-N 2.77Å
132	D	34.2	Very low	45.6	Very low	71 Å²	71	102 Å²	102	38%	0.38	55%	0.545	S	S	.	.			trans	-89.2	-7.7	-169	-68	-24.5	0	0	0	116.3	G134 L135	D132-G134 PolarHBondContact O-N 2.77Å; D132-L135 PolarHBondContact O-N 3.43Å
133	Y	37.3	Very low	47.9	Very low	232 Å²	232	97.1 Å²	97.1	91%	0.91	52%	0.515	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.3	6.7	-172.6	-70.1	-73.1	0	0	0	117.2
134	G	51.7	Low	50.2	Low	48 Å²	48	91.9 Å²	91.9	50%	0.495	49%	0.493	S	S	.	.	T	Hydrogen-bonded Turn	trans	-134.5	-2	-179.3	0	0	0	0	0	116	D132 R222	D132-G134 PolarHBondContact O-N 2.77Å; G134-R222 PolarHBondContact O-NH1 3.39Å
135	L	57	Low	52.2	Low	42 Å²	42	89.7 Å²	89.7	22%	0.22	47%	0.469	C	S	.	.			trans	-86.8	147.1	-176.3	-65.1	177.7	0	0	0	111.3	D132 E139 I140	D132-L135 PolarHBondContact O-N 3.43Å; L135-E139 VanDerWaalsContact CA-OE2 3.3Å; L135-E139 WeakPolarHBondContact CA-OE2 3.48Å; L135-E139 HydrophobicContact CB-CB 3.92Å; L135-E139 HydrophobicContact CD2-CB 4.1Å; L135-E139 VanDerWaalsContact CD2-OE2 3.24Å; L135-E139 WeakPolarHBondContact CD2-OE2 3.46Å; L135-E139 HydrophobicContact CG-CB 4.43Å; L135-I140 HydrophobicContact CB-CG1 3.76Å
136	T	67.5	Low	54.4	Low	41 Å²	41	83 Å²	83	25%	0.252	43%	0.434	S	S	.	.			trans	-75.7	163.3	168.1	52.8	0	0	0	0	110.6	D138 E139 I140	T136-D138 PolarHBondContact O-N 2.93Å; T136-E139 PolarHBondContact N-OE2 2.85Å; T136-E139 CarbonylContact O-C 3.46Å; T136-E139 WeakPolarHBondContact O-CA 3.34Å; T136-E139 VanDerWaalsContact O-CB 3.29Å; T136-E139 WeakPolarHBondContact O-CB 3.16Å; T136-E139 PolarHBondContact O-N 3.16Å; T136-E139 WeakPolarHBondContact OG1-CG 3.49Å; T136-E139 PolarHBondContact OG1-OE1 3.1Å; T136-I140 PolarHBondContact O-N 3.46Å
137	E	59.4	Low	56.7	Low	82 Å²	82	78.7 Å²	78.7	38%	0.383	42%	0.424	S	S	.	.	H	α-helix	trans	-52.1	-49.5	178.8	-172	-175.8	142.9	0	0	113	E139 I140 L141 K553	E137-E139 PolarHBondContact O-N 3.29Å; E137-E139 VanDerWaalsContact O-N 3.16Å; E137-I140 PolarHBondContact O-N 3.21Å; E137-I140 VanDerWaalsContact O-N 3.16Å; E137-L141 PolarHBondContact O-N 3.46Å; E137-K553 IonicContact OE2-NZ 3.84Å; E137-K553 PolarHBondContact OE2-NZ 2.86Å
138	D	68.6	Low	58.6	Low	31 Å²	31	78 Å²	78	17%	0.166	42%	0.421	C	S	.	.	H	α-helix	trans	-60.3	-26.3	175.7	-73.3	-68	0	0	0	112.6	T136 L142 L232 A234 N237	T136-D138 PolarHBondContact O-N 2.93Å; D138-L142 WeakPolarHBondContact O-CB 3.42Å; D138-L142 PolarHBondContact O-N 3.29Å; D138-L142 VanDerWaalsContact O-N 3.13Å; D138-L232 HydrophobicContact CB-CB 4.19Å; D138-L232 HydrophobicContact CB-CD2 3.96Å; D138-L232 HydrophobicContact CB-CG 3.93Å; D138-A234 PolarHBondContact OD1-N 3.33Å; D138-N237 PolarHBondContact OD1-ND2 2.81Å
139	E	73.4	Confident	60.7	Low	0 Å²	0	75 Å²	75	0%	0	40%	0.403	C	S	.	.	H	α-helix	trans	-83	-34.8	178.1	-69	168.3	-176.1	0	0	112	L135 T136 E137 L142 A143 I218 R222 L232	L135-E139 VanDerWaalsContact CA-OE2 3.3Å; L135-E139 WeakPolarHBondContact CA-OE2 3.48Å; L135-E139 HydrophobicContact CB-CB 3.92Å; L135-E139 HydrophobicContact CD2-CB 4.1Å; L135-E139 VanDerWaalsContact CD2-OE2 3.24Å; L135-E139 WeakPolarHBondContact CD2-OE2 3.46Å; L135-E139 HydrophobicContact CG-CB 4.43Å; T136-E139 PolarHBondContact N-OE2 2.85Å; T136-E139 CarbonylContact O-C 3.46Å; T136-E139 WeakPolarHBondContact O-CA 3.34Å; T136-E139 VanDerWaalsContact O-CB 3.29Å; T136-E139 WeakPolarHBondContact O-CB 3.16Å; T136-E139 PolarHBondContact O-N 3.16Å; T136-E139 WeakPolarHBondContact OG1-CG 3.49Å; T136-E139 PolarHBondContact OG1-OE1 3.1Å; E137-E139 PolarHBondContact O-N 3.29Å; E137-E139 VanDerWaalsContact O-N 3.16Å; E139-L142 PolarHBondContact O-N 2.92Å; E139-A143 VanDerWaalsContact O-CB 3.26Å; E139-A143 WeakPolarHBondContact O-CB 3.3Å; E139-A143 PolarHBondContact O-N 3.18Å; E139-I218 HydrophobicContact CG-CD1 4.02Å; E139-I218 HydrophobicContact CG-CG2 4.28Å; E139-I218 WeakPolarHBondContact OE1-CG2 3.37Å; E139-R222 IonicContact OE1-CZ 3.91Å; E139-R222 IonicContact OE1-NE 2.7Å; E139-R222 IonicContact OE1-NH2 3.32Å; E139-R222 PolarHBondContact OE1-NH2 2.76Å; E139-R222 IonicContact OE2-CZ 3.68Å; E139-R222 IonicContact OE2-NE 3.65Å; E139-R222 IonicContact OE2-NH1 3.4Å; E139-R222 IonicContact OE2-NH2 3.5Å; E139-R222 PolarHBondContact OE2-NH2 3.42Å; E139-L232 HydrophobicContact CG-CB 4.16Å; E139-L232 HydrophobicContact CG-CD2 3.89Å
140	I	66.8	Low	62.9	Low	35 Å²	35	73.7 Å²	73.7	18%	0.179	40%	0.399	C	S	.	.	H	α-helix	trans	-67.4	-46.8	172.8	-63.3	172.7	0	0	0	109.5	L135 T136 E137 L142 A143 N144	L135-I140 HydrophobicContact CB-CG1 3.76Å; T136-I140 PolarHBondContact O-N 3.46Å; E137-I140 PolarHBondContact O-N 3.21Å; E137-I140 VanDerWaalsContact O-N 3.16Å; I140-L142 VanDerWaalsContact C-N 3.27Å; I140-L142 PolarHBondContact O-N 3.35Å; I140-A143 PolarHBondContact O-N 3.14Å; I140-A143 VanDerWaalsContact O-N 3.11Å; I140-N144 WeakPolarHBondContact O-CB 3.36Å; I140-N144 PolarHBondContact O-N 3.24Å
141	L	69.1	Low	65.1	Low	103 Å²	103	71.2 Å²	71.2	54%	0.539	40%	0.395	S	S	.	.	H	α-helix	trans	-57.5	-44.4	175.3	-168.5	94.4	0	0	0	110.7	E137 A145	E137-L141 PolarHBondContact O-N 3.46Å; L141-A145 WeakPolarHBondContact O-CB 3.3Å; L141-A145 PolarHBondContact O-N 3.02Å
142	L	76.4	Confident	66.7	Low	2 Å²	2	64.7 Å²	64.7	1%	0.01	36%	0.361	C	S	.	.	H	α-helix	trans	-63.2	-41.6	175.4	179.4	68.8	0	0	0	112.3	D138 E139 I140 A146 R211 L214 L215 I218 L232	D138-L142 WeakPolarHBondContact O-CB 3.42Å; D138-L142 PolarHBondContact O-N 3.29Å; D138-L142 VanDerWaalsContact O-N 3.13Å; E139-L142 PolarHBondContact O-N 2.92Å; I140-L142 VanDerWaalsContact C-N 3.27Å; I140-L142 PolarHBondContact O-N 3.35Å; L142-A146 VanDerWaalsContact O-CB 3.27Å; L142-A146 WeakPolarHBondContact O-CB 3.2Å; L142-A146 PolarHBondContact O-N 3.1Å; L142-R211 HydrophobicContact CD1-CB 3.8Å; L142-R211 HydrophobicContact CD1-CG 3.94Å; L142-L214 HydrophobicContact CD1-CD2 4.07Å; L142-L214 HydrophobicContact CD2-CB 3.95Å; L142-L214 HydrophobicContact CD2-CD2 3.49Å; L142-L214 VanDerWaalsContact CD2-CD2 3.49Å; L142-L214 HydrophobicContact CD2-CG 3.52Å; L142-L214 HydrophobicContact CG-CD2 4.45Å; L142-L215 HydrophobicContact CB-CD2 4.26Å; L142-L215 HydrophobicContact CD2-CD2 3.65Å; L142-L215 HydrophobicContact CD2-CG 3.74Å; L142-L215 HydrophobicContact CG-CD1 4.34Å; L142-L215 HydrophobicContact CG-CD2 3.86Å; L142-L215 HydrophobicContact CG-CG 3.86Å; L142-I218 HydrophobicContact CD2-CD1 4.43Å; L142-L232 HydrophobicContact CB-CD2 4.45Å; L142-L232 HydrophobicContact CD2-CD2 3.81Å
143	A	76.7	Confident	68.9	Low	19 Å²	19	65.7 Å²	65.7	16%	0.157	36%	0.363	C	S	.	.	H	α-helix	trans	-64.4	-46.7	177.9	0	0	0	0	0	111.8	E139 I140 A146 S147 L215	E139-A143 VanDerWaalsContact O-CB 3.26Å; E139-A143 WeakPolarHBondContact O-CB 3.3Å; E139-A143 PolarHBondContact O-N 3.18Å; I140-A143 PolarHBondContact O-N 3.14Å; I140-A143 VanDerWaalsContact O-N 3.11Å; A143-A146 PolarHBondContact O-N 2.93Å; A143-S147 WeakPolarHBondContact O-CB 3.46Å; A143-S147 PolarHBondContact O-N 2.69Å; A143-S147 PolarHBondContact O-OG 2.86Å; A143-L215 HydrophobicContact CB-CD1 4.24Å; A143-L215 HydrophobicContact CB-CD2 4.1Å
144	N	72.7	Confident	71.1	Confident	92 Å²	92	57.6 Å²	57.6	49%	0.492	34%	0.344	S	S	.	.	H	α-helix	trans	-61.2	-50.4	176.3	-71.2	-13.5	0	0	0	110.5	I140 A146 S147 E148	I140-N144 WeakPolarHBondContact O-CB 3.36Å; I140-N144 PolarHBondContact O-N 3.24Å; N144-A146 PolarHBondContact O-N 2.82Å; N144-S147 PolarHBondContact O-N 2.88Å; N144-S147 PolarHBondContact O-OG 3.32Å; N144-E148 PolarHBondContact O-N 3.42Å
145	A	72.1	Confident	72.4	Confident	17 Å²	17	56.8 Å²	56.8	14%	0.14	33%	0.333	C	S	.	.	H	α-helix	trans	-64	-24.5	178.4	0	0	0	0	0	113.5	L141 A152 R211	L141-A145 WeakPolarHBondContact O-CB 3.3Å; L141-A145 PolarHBondContact O-N 3.02Å; A145-A152 VanDerWaalsContact O-CB 3.28Å; A145-A152 WeakPolarHBondContact O-CB 3.24Å; A145-R211 PolarHBondContact O-NH1 3.3Å
146	A	74.3	Confident	73.7	Confident	8 Å²	8	60.8 Å²	60.8	7%	0.066	35%	0.352	C	S	.	.	H	α-helix	trans	-79.5	-32.8	171.7	0	0	0	0	0	111.9	L142 A143 N144 E148 E153 R211 L215	L142-A146 VanDerWaalsContact O-CB 3.27Å; L142-A146 WeakPolarHBondContact O-CB 3.2Å; L142-A146 PolarHBondContact O-N 3.1Å; A143-A146 PolarHBondContact O-N 2.93Å; N144-A146 PolarHBondContact O-N 2.82Å; A146-E148 PolarHBondContact O-N 3.28Å; A146-E153 HydrophobicContact CB-CG 4.46Å; A146-E153 WeakPolarHBondContact O-CB 3.15Å; A146-E153 PolarHBondContact O-N 3.13Å; A146-R211 HydrophobicContact CB-CB 3.86Å; A146-L215 HydrophobicContact CB-CD1 3.8Å
147	S	78.7	Confident	74.3	Confident	91 Å²	91	60.7 Å²	60.7	64%	0.636	35%	0.349	S	S	*	.	H	α-helix	trans	-78.1	-13.4	-175.8	71.8	0	0	0	0	115.1	A143 N144 S149	A143-S147 WeakPolarHBondContact O-CB 3.46Å; A143-S147 PolarHBondContact O-N 2.69Å; A143-S147 PolarHBondContact O-OG 2.86Å; N144-S147 PolarHBondContact O-N 2.88Å; N144-S147 PolarHBondContact O-OG 3.32Å; S147-S149 VanDerWaalsContact C-N 3.34Å; S147-S149 PolarHBondContact O-N 3.41Å
148	E	66.7	Low	75.6	Confident	149 Å²	149	59.3 Å²	59.3	70%	0.696	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.5	-40.5	-177.4	-73.3	176.5	-176	0	0	113.3	N144 A146 A152	N144-E148 PolarHBondContact O-N 3.42Å; A146-E148 PolarHBondContact O-N 3.28Å; E148-A152 HydrophobicContact CB-CB 4.03Å
149	S	73.1	Confident	76.5	Confident	57 Å²	57	57.9 Å²	57.9	40%	0.399	34%	0.341	S	S	.	.			trans	-166	164.2	178.2	63.9	0	0	0	0	110.8	S147 D151 A152 E153	S147-S149 VanDerWaalsContact C-N 3.34Å; S147-S149 PolarHBondContact O-N 3.41Å; S149-D151 PolarHBondContact O-N 3.48Å; S149-A152 WeakPolarHBondContact O-CB 3.26Å; S149-A152 PolarHBondContact O-N 3.33Å; S149-A152 WeakPolarHBondContact OG-CB 3.29Å; S149-A152 PolarHBondContact OG-N 3.38Å; S149-A152 VanDerWaalsContact OG-N 3.09Å; S149-E153 PolarHBondContact O-N 3.11Å
150	S	79.2	Confident	77.2	Confident	94 Å²	94	57.9 Å²	57.9	66%	0.657	34%	0.341	S	S	*	.	H	α-helix	trans	-58.5	-32.9	173	-174.6	0	0	0	0	112.6	A154	S150-A154 WeakPolarHBondContact O-CB 3.42Å; S150-A154 PolarHBondContact O-N 3.1Å
151	D	76.2	Confident	78.3	Confident	136 Å²	136	56.2 Å²	56.2	73%	0.727	33%	0.332	S	S	*	.	H	α-helix	trans	-71.6	-35.6	177	-67.9	-22	0	0	0	111.1	S149 A154 A155	S149-D151 PolarHBondContact O-N 3.48Å; D151-A154 CarbonylContact O-C 3.52Å; D151-A154 PolarHBondContact O-N 2.65Å; D151-A155 PolarHBondContact O-N 3.05Å
152	A	69.9	Low	79.3	Confident	9 Å²	9	53 Å²	53	7%	0.074	32%	0.317	C	S	.	.	H	α-helix	trans	-70.9	-36.8	177.2	0	0	0	0	0	112.3	A145 E148 S149 A154 A155 R211	A145-A152 VanDerWaalsContact O-CB 3.28Å; A145-A152 WeakPolarHBondContact O-CB 3.24Å; E148-A152 HydrophobicContact CB-CB 4.03Å; S149-A152 WeakPolarHBondContact O-CB 3.26Å; S149-A152 PolarHBondContact O-N 3.33Å; S149-A152 WeakPolarHBondContact OG-CB 3.29Å; S149-A152 PolarHBondContact OG-N 3.38Å; S149-A152 VanDerWaalsContact OG-N 3.09Å; A152-A154 VanDerWaalsContact C-N 3.32Å; A152-A154 PolarHBondContact O-N 3.19Å; A152-A155 VanDerWaalsContact O-CB 3.31Å; A152-A155 WeakPolarHBondContact O-CB 3.35Å; A152-A155 PolarHBondContact O-N 2.77Å; A152-R211 WeakPolarHBondContact O-CD 3.48Å
153	E	79.8	Confident	79.9	Confident	92 Å²	92	53 Å²	53	43%	0.43	32%	0.316	S	S	.	.	H	α-helix	trans	-62.2	-40.4	172	-170.6	177.5	-179.6	0	0	111.9	A146 S149 A155 R211 G212	A146-E153 HydrophobicContact CB-CG 4.46Å; A146-E153 WeakPolarHBondContact O-CB 3.15Å; A146-E153 PolarHBondContact O-N 3.13Å; S149-E153 PolarHBondContact O-N 3.11Å; E153-A155 VanDerWaalsContact C-N 3.3Å; E153-R211 PolarHBondContact O-N 3.07Å; E153-G212 PolarHBondContact O-N 3.11Å; E153-G212 VanDerWaalsContact O-N 3.07Å
154	A	84	Confident	80.5	Confident	62 Å²	62	56.1 Å²	56.1	51%	0.512	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.2	-7	178.9	0	0	0	0	0	113.8	S150 D151 A152 M156 T210	S150-A154 WeakPolarHBondContact O-CB 3.42Å; S150-A154 PolarHBondContact O-N 3.1Å; D151-A154 CarbonylContact O-C 3.52Å; D151-A154 PolarHBondContact O-N 2.65Å; A152-A154 VanDerWaalsContact C-N 3.32Å; A152-A154 PolarHBondContact O-N 3.19Å; A154-M156 PolarHBondContact O-N 3.22Å; A154-T210 WeakPolarHBondContact O-CG2 3.41Å
155	A	79.4	Confident	81.3	Confident	31 Å²	31	51.7 Å²	51.7	26%	0.256	30%	0.301	S	S	.	.			trans	-64	133.8	-179.9	0	0	0	0	0	111.1	D151 A152 E153 T210 R211	D151-A155 PolarHBondContact O-N 3.05Å; A152-A155 VanDerWaalsContact O-CB 3.31Å; A152-A155 WeakPolarHBondContact O-CB 3.35Å; A152-A155 PolarHBondContact O-N 2.77Å; E153-A155 VanDerWaalsContact C-N 3.3Å; A155-T210 WeakPolarHBondContact O-CA 3.32Å; A155-R211 PolarHBondContact O-N 3.05Å; A155-R211 VanDerWaalsContact O-N 3.15Å
156	M	82.9	Confident	81.8	Confident	126 Å²	126	56.6 Å²	56.6	62%	0.621	32%	0.319	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-68.2	133.3	174.2	-84	-68.9	-69.3	0	0	110.7	A154 D208 T210	A154-M156 PolarHBondContact O-N 3.22Å; M156-D208 HydrophobicContact CE-CB 3.54Å; M156-T210 HydrophobicContact SD-CG2 4.41Å
157	Q	81.6	Confident	82.2	Confident	38 Å²	38	61.7 Å²	61.7	18%	0.178	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	130.3	178.4	-179.6	158.3	-6	0	0	111	D208 M209 R211	Q157-D208 WeakPolarHBondContact O-CA 3.44Å; Q157-M209 PolarHBondContact N-O 2.86Å; Q157-M209 PolarHBondContact O-N 2.88Å; Q157-M209 VanDerWaalsContact O-N 3.1Å; Q157-M209 VanDerWaalsContact O-O 3.11Å; Q157-R211 HydrophobicContact CB-CG 4.19Å; Q157-R211 VanDerWaalsContact OE1-CG 3.31Å; Q157-R211 VanDerWaalsContact OE1-NE 3.14Å
158	S	85.3	Confident	82.3	Confident	53 Å²	53	58.1 Å²	58.1	37%	0.371	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	130.1	167.5	-57.4	0	0	0	0	109.9	D208	S158-D208 VanDerWaalsContact CA-OD1 3.3Å; S158-D208 WeakPolarHBondContact CA-OD1 3.37Å; S158-D208 WeakPolarHBondContact CB-OD1 3.31Å; S158-D208 PolarHBondContact OG-OD1 2.94Å
159	A	87.5	Confident	83.2	Confident	1 Å²	1	54.3 Å²	54.3	1%	0.008	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	154.3	-177.1	0	0	0	0	0	111.1	K206 L207 L214 L232	A159-K206 CarbonylContact O-C 3.51Å; A159-K206 WeakPolarHBondContact O-CA 3.37Å; A159-L207 PolarHBondContact N-O 2.9Å; A159-L207 PolarHBondContact O-N 3.11Å; A159-L214 HydrophobicContact CB-CD1 4.46Å; A159-L214 HydrophobicContact CB-CD2 3.62Å; A159-L232 HydrophobicContact CB-CD1 3.79Å
160	A	89.5	Confident	83.7	Confident	0 Å²	0	56.5 Å²	56.5	0%	0	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	123.1	172.2	0	0	0	0	0	110.2	L204 I205 K206 M233	A160-L204 HydrophobicContact CB-CD1 4.03Å; A160-I205 CarbonylContact C-O 3.53Å; A160-I205 WeakPolarHBondContact CA-O 3.14Å; A160-K206 HydrophobicContact CB-CG 4.2Å; A160-M233 HydrophobicContact CB-CB 4.21Å; A160-M233 PolarHBondContact N-O 3.1Å; A160-M233 PolarHBondContact O-N 3.17Å
161	L	89.6	Confident	84	Confident	0 Å²	0	52.1 Å²	52.1	0%	0	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	126.3	173.9	-64.7	176.5	0	0	0	109.6	V163 L204 I205 L207 L217 I218 M230 N231 L232	L161-V163 HydrophobicContact CB-CG2 4.34Å; L161-L204 CarbonylContact O-C 3.46Å; L161-L204 WeakPolarHBondContact O-CA 3.28Å; L161-I205 HydrophobicContact CB-CB 4.45Å; L161-I205 PolarHBondContact N-O 3.25Å; L161-I205 PolarHBondContact O-N 2.9Å; L161-L207 HydrophobicContact CD1-CD2 3.56Å; L161-L207 HydrophobicContact CG-CD2 3.9Å; L161-L217 HydrophobicContact CD1-CD2 4.19Å; L161-I218 HydrophobicContact CD2-CD1 4.48Å; L161-I218 HydrophobicContact CD2-CG1 4.36Å; L161-M230 HydrophobicContact CD2-CG 4.42Å; L161-M230 HydrophobicContact CD2-SD 4.28Å; L161-N231 WeakPolarHBondContact CA-O 3.11Å; L161-L232 HydrophobicContact CD2-CB 4.18Å; L161-L232 HydrophobicContact CD2-CD1 3.74Å
162	V	88.9	Confident	84.7	Confident	37 Å²	37	46.7 Å²	46.7	22%	0.224	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	114	168.5	-176.5	0	0	0	0	109	V203 L204 M230 N231 M233	V162-V203 CarbonylContact C-O 3.08Å; V162-V203 WeakPolarHBondContact CA-O 3.12Å; V162-L204 HydrophobicContact CG2-CD1 3.77Å; V162-M230 WeakPolarHBondContact O-CA 3.34Å; V162-N231 PolarHBondContact N-O 3.35Å; V162-N231 PolarHBondContact O-N 3.31Å; V162-M233 HydrophobicContact CG2-SD 3.89Å
163	V	90.3	Very high	85.6	Confident	0 Å²	0	48.4 Å²	48.4	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	132.7	-175.9	-164.1	0	0	0	0	110.6	L161 L165 I175 V203 F227 M230	L161-V163 HydrophobicContact CB-CG2 4.34Å; V163-L165 HydrophobicContact CB-CD2 4.33Å; V163-L165 HydrophobicContact CG1-CD2 3.77Å; V163-I175 HydrophobicContact CB-CD1 4.37Å; V163-I175 HydrophobicContact CG1-CD1 3.88Å; V163-I175 HydrophobicContact CG2-CD1 4.49Å; V163-V203 PolarHBondContact N-O 2.91Å; V163-V203 PolarHBondContact O-N 3.11Å; V163-F227 HydrophobicContact CG1-CB 3.53Å; V163-F227 HydrophobicContact CG1-CD1 3.92Å; V163-F227 HydrophobicContact CG1-CD2 4.12Å; V163-F227 HydrophobicContact CG1-CG 3.6Å; V163-M230 HydrophobicContact CG1-CE 4.42Å; V163-M230 HydrophobicContact CG2-CE 3.88Å; V163-M230 HydrophobicContact CG2-CG 4.37Å
164	R	89.5	Confident	86.1	Confident	85 Å²	85	49.6 Å²	49.6	32%	0.321	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	109.1	176.6	-70.2	-164.1	180	159.9	1.2	111	V199 D202 F227 S228 S229	R164-V199 HydrophobicContact CB-CG1 3.76Å; R164-V199 HydrophobicContact CG-CG1 4.37Å; R164-D202 WeakPolarHBondContact CG-OD1 3.42Å; R164-D202 IonicContact NE-OD1 2.97Å; R164-F227 CarbonylContact O-C 3.6Å; R164-F227 WeakPolarHBondContact O-CA 3.33Å; R164-F227 WeakPolarHBondContact O-CB 3.14Å; R164-S228 PolarHBondContact O-N 3.42Å; R164-S229 WeakPolarHBondContact CD-OG 3.47Å; R164-S229 PolarHBondContact N-O 3.36Å
165	L	89.4	Confident	86.4	Confident	0 Å²	0	46.8 Å²	46.8	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	125.8	-172.5	-52.4	-176.5	0	0	0	111.1	V163 I169 S171 L172 I175 V199 D200 H201 V203 F227	V163-L165 HydrophobicContact CB-CD2 4.33Å; V163-L165 HydrophobicContact CG1-CD2 3.77Å; L165-I169 HydrophobicContact CD1-CD1 4.11Å; L165-S171 WeakPolarHBondContact CD1-OG 3.18Å; L165-S171 WeakPolarHBondContact CD2-OG 3.44Å; L165-L172 HydrophobicContact CD1-CB 4.15Å; L165-I175 HydrophobicContact CD2-CD1 3.62Å; L165-V199 WeakPolarHBondContact O-CG1 3.42Å; L165-D200 PolarHBondContact O-N 2.87Å; L165-H201 PolarHBondContact N-O 2.75Å; L165-V203 HydrophobicContact CD1-CG2 3.63Å; L165-V203 HydrophobicContact CG-CG2 4.12Å; L165-F227 HydrophobicContact CD2-CB 4.34Å
166	K	82.9	Confident	87	Confident	120 Å²	120	48 Å²	48	52%	0.522	26%	0.256	S	S	.	.	S	Bend	trans	-88.9	-37.4	174.8	-70.8	-175.7	171.7	174.2	0	112.5	G168 S228	K166-G168 VanDerWaalsContact C-N 3.3Å; K166-G168 PolarHBondContact O-N 3.05Å; K166-S228 VanDerWaalsContact CE-OG 3.24Å; K166-S228 WeakPolarHBondContact CE-OG 3.18Å
167	E	80.7	Confident	87.5	Confident	115 Å²	115	48.9 Å²	48.9	54%	0.537	26%	0.256	S	S	.	.	S	Bend	trans	-94.5	31	-171	-60.2	-179	167.5	0	0	113.3	R174	E167-R174 IonicContact OE2-CZ 3.52Å; E167-R174 IonicContact OE2-NH1 2.68Å; E167-R174 IonicContact OE2-NH2 2.87Å; E167-R174 PolarHBondContact OE2-NH2 2.92Å
168	G	82.4	Confident	88	Confident	16 Å²	16	47.9 Å²	47.9	17%	0.165	25%	0.254	C	S	.	.			trans	77.6	172.8	-177.6	0	0	0	0	0	115	K166 S170 S171 D200	K166-G168 VanDerWaalsContact C-N 3.3Å; K166-G168 PolarHBondContact O-N 3.05Å; G168-S170 PolarHBondContact O-N 3.43Å; G168-S170 VanDerWaalsContact O-N 3.12Å; G168-S171 PolarHBondContact O-N 3.22Å; G168-S171 PolarHBondContact O-OG 3.14Å; G168-D200 VanDerWaalsContact CA-OD2 3.27Å; G168-D200 WeakPolarHBondContact CA-OD2 3.37Å
169	I	84.7	Confident	88.4	Confident	68 Å²	68	45.4 Å²	45.4	35%	0.349	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63	-19.3	-178.2	-162.5	60.8	0	0	0	113.4	L165 S171 L172 H201 V203	L165-I169 HydrophobicContact CD1-CD1 4.11Å; I169-S171 PolarHBondContact O-N 3.06Å; I169-L172 HydrophobicContact CD1-CB 4.37Å; I169-L172 HydrophobicContact CD1-CD2 4.01Å; I169-L172 WeakPolarHBondContact O-CB 3.43Å; I169-L172 PolarHBondContact O-N 3.07Å; I169-H201 HydrophobicContact CD1-CB 4.22Å; I169-V203 HydrophobicContact CD1-CG2 4.04Å
170	S	84.1	Confident	88.7	Confident	104 Å²	104	52.1 Å²	52.1	73%	0.727	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.5	-25.5	179	-55.6	0	0	0	0	113.5	G168 L172 G173	G168-S170 PolarHBondContact O-N 3.43Å; G168-S170 VanDerWaalsContact O-N 3.12Å; S170-L172 PolarHBondContact O-N 2.84Å; S170-G173 PolarHBondContact O-N 3.39Å
171	S	85.9	Confident	89	Confident	1 Å²	1	56.5 Å²	56.5	1%	0.007	30%	0.295	C	S	.	.	H	α-helix	trans	-67.2	-19.7	174.3	62.2	0	0	0	0	113	L165 G168 I169 G173 R174 I175	L165-S171 WeakPolarHBondContact CD1-OG 3.18Å; L165-S171 WeakPolarHBondContact CD2-OG 3.44Å; G168-S171 PolarHBondContact O-N 3.22Å; G168-S171 PolarHBondContact O-OG 3.14Å; I169-S171 PolarHBondContact O-N 3.06Å; S171-G173 VanDerWaalsContact C-N 3.28Å; S171-G173 PolarHBondContact O-N 3.43Å; S171-R174 WeakPolarHBondContact O-CB 3.34Å; S171-R174 PolarHBondContact O-N 3.42Å; S171-R174 VanDerWaalsContact O-N 3.16Å; S171-I175 PolarHBondContact O-N 2.88Å
172	L	90.1	Very high	89.3	Confident	22 Å²	22	58.4 Å²	58.4	12%	0.115	30%	0.303	C	S	.	.	H	α-helix	trans	-58.3	-40	175.3	-179	55.6	0	0	0	112	L165 I169 S170 R174 I175 L176 V189 V203 I205	L165-L172 HydrophobicContact CD1-CB 4.15Å; I169-L172 HydrophobicContact CD1-CB 4.37Å; I169-L172 HydrophobicContact CD1-CD2 4.01Å; I169-L172 WeakPolarHBondContact O-CB 3.43Å; I169-L172 PolarHBondContact O-N 3.07Å; S170-L172 PolarHBondContact O-N 2.84Å; L172-R174 PolarHBondContact O-N 2.85Å; L172-I175 WeakPolarHBondContact O-CB 3.35Å; L172-I175 PolarHBondContact O-N 3.35Å; L172-L176 HydrophobicContact CD1-CD1 4.43Å; L172-L176 HydrophobicContact CD1-CD2 4.38Å; L172-L176 HydrophobicContact CD1-CG 4.11Å; L172-L176 HydrophobicContact CG-CD1 4.08Å; L172-L176 HydrophobicContact CG-CG 4.23Å; L172-L176 WeakPolarHBondContact O-CG 3.31Å; L172-L176 PolarHBondContact O-N 2.82Å; L172-V189 HydrophobicContact CD2-CG1 4.11Å; L172-V203 HydrophobicContact CD1-CG1 3.85Å; L172-V203 HydrophobicContact CD2-CG1 4.21Å; L172-I205 HydrophobicContact CD1-CD1 3.83Å; L172-I205 HydrophobicContact CD1-CG1 4.49Å
173	G	90.1	Very high	89.6	Confident	45 Å²	45	63.8 Å²	63.8	46%	0.464	33%	0.325	S	S	.	.	H	α-helix	trans	-59.4	-34.5	178.4	0	0	0	0	0	113.1	S170 S171 K177	S170-G173 PolarHBondContact O-N 3.39Å; S171-G173 VanDerWaalsContact C-N 3.28Å; S171-G173 PolarHBondContact O-N 3.43Å; G173-K177 WeakPolarHBondContact O-CB 3.47Å; G173-K177 PolarHBondContact O-N 3.27Å
174	R	88.5	Confident	89.7	Confident	118 Å²	118	64.3 Å²	64.3	45%	0.445	33%	0.331	S	S	.	.	H	α-helix	trans	-68	-39.1	174.9	-71.7	-178.2	-84	158.8	-7.9	111.8	E167 S171 L172 K177 A178 S226	E167-R174 IonicContact OE2-CZ 3.52Å; E167-R174 IonicContact OE2-NH1 2.68Å; E167-R174 IonicContact OE2-NH2 2.87Å; E167-R174 PolarHBondContact OE2-NH2 2.92Å; S171-R174 WeakPolarHBondContact O-CB 3.34Å; S171-R174 PolarHBondContact O-N 3.42Å; S171-R174 VanDerWaalsContact O-N 3.16Å; L172-R174 PolarHBondContact O-N 2.85Å; R174-K177 PolarHBondContact O-N 3.39Å; R174-A178 WeakPolarHBondContact O-CB 3.42Å; R174-A178 PolarHBondContact O-N 3.32Å; R174-S226 PolarHBondContact NH1-OG 3.41Å
175	I	90.6	Very high	90	Very high	3 Å²	3	64.1 Å²	64.1	2%	0.015	34%	0.339	C	S	.	.	H	α-helix	trans	-66.8	-47.4	178.2	-61.9	167.1	0	0	0	110.3	V163 L165 S171 L172 K177 A178 I179 I205 L221	V163-I175 HydrophobicContact CB-CD1 4.37Å; V163-I175 HydrophobicContact CG1-CD1 3.88Å; V163-I175 HydrophobicContact CG2-CD1 4.49Å; L165-I175 HydrophobicContact CD2-CD1 3.62Å; S171-I175 PolarHBondContact O-N 2.88Å; L172-I175 WeakPolarHBondContact O-CB 3.35Å; L172-I175 PolarHBondContact O-N 3.35Å; I175-K177 VanDerWaalsContact C-N 3.3Å; I175-K177 PolarHBondContact O-N 3.33Å; I175-A178 WeakPolarHBondContact O-CB 3.19Å; I175-A178 PolarHBondContact O-N 3.34Å; I175-A178 VanDerWaalsContact O-N 3.13Å; I175-I179 HydrophobicContact CG2-CD1 4.06Å; I175-I179 WeakPolarHBondContact O-CG1 3.33Å; I175-I179 PolarHBondContact O-N 3.23Å; I175-I205 HydrophobicContact CG2-CD1 3.71Å; I175-L221 HydrophobicContact CB-CD2 4.46Å; I175-L221 HydrophobicContact CG1-CD2 4.17Å; I175-L221 HydrophobicContact CG2-CD1 4.15Å; I175-L221 HydrophobicContact CG2-CD2 4.34Å
176	L	93.5	Very high	90.2	Very high	57 Å²	57	66.6 Å²	66.6	30%	0.298	35%	0.354	S	S	.	.	H	α-helix	trans	-60.8	-41	177.8	-63.8	176.8	0	0	0	111.6	L172 A178 I179 E180 V186 V189 I205	L172-L176 HydrophobicContact CD1-CD1 4.43Å; L172-L176 HydrophobicContact CD1-CD2 4.38Å; L172-L176 HydrophobicContact CD1-CG 4.11Å; L172-L176 HydrophobicContact CG-CD1 4.08Å; L172-L176 HydrophobicContact CG-CG 4.23Å; L172-L176 WeakPolarHBondContact O-CG 3.31Å; L172-L176 PolarHBondContact O-N 2.82Å; L176-A178 VanDerWaalsContact C-N 3.35Å; L176-A178 PolarHBondContact O-N 2.84Å; L176-I179 HydrophobicContact CD2-CD1 4.35Å; L176-I179 WeakPolarHBondContact O-CB 3.2Å; L176-I179 PolarHBondContact O-N 2.85Å; L176-E180 PolarHBondContact O-N 3.43Å; L176-V186 HydrophobicContact CD2-CG1 4.4Å; L176-V186 HydrophobicContact CD2-CG2 4.01Å; L176-V189 HydrophobicContact CD2-CG2 4.17Å; L176-I205 HydrophobicContact CD2-CD1 4.5Å
177	K	92.5	Very high	90.6	Very high	144 Å²	144	66.3 Å²	66.3	63%	0.626	36%	0.355	S	S	*	.	H	α-helix	trans	-65.1	-36.9	174.9	-170.5	172.4	-175.4	177	0	112.8	G173 R174 I175 E180 T181	G173-K177 WeakPolarHBondContact O-CB 3.47Å; G173-K177 PolarHBondContact O-N 3.27Å; R174-K177 PolarHBondContact O-N 3.39Å; I175-K177 VanDerWaalsContact C-N 3.3Å; I175-K177 PolarHBondContact O-N 3.33Å; K177-E180 PolarHBondContact O-N 3.22Å; K177-T181 WeakPolarHBondContact O-CB 3.45Å; K177-T181 PolarHBondContact O-N 3.14Å; K177-T181 PolarHBondContact O-OG1 2.84Å
178	A	92.4	Very high	91.1	Very high	17 Å²	17	64.6 Å²	64.6	14%	0.14	35%	0.347	C	S	.	.	H	α-helix	trans	-64.4	-44.7	173.6	0	0	0	0	0	110.8	R174 I175 L176 E180 T181 F182 L217 L221	R174-A178 WeakPolarHBondContact O-CB 3.42Å; R174-A178 PolarHBondContact O-N 3.32Å; I175-A178 WeakPolarHBondContact O-CB 3.19Å; I175-A178 PolarHBondContact O-N 3.34Å; I175-A178 VanDerWaalsContact O-N 3.13Å; L176-A178 VanDerWaalsContact C-N 3.35Å; L176-A178 PolarHBondContact O-N 2.84Å; A178-E180 VanDerWaalsContact C-N 3.31Å; A178-E180 PolarHBondContact O-N 3.07Å; A178-T181 WeakPolarHBondContact O-CB 3.5Å; A178-T181 PolarHBondContact O-N 3.19Å; A178-T181 VanDerWaalsContact O-N 3.07Å; A178-F182 VanDerWaalsContact O-CD2 3.24Å; A178-F182 WeakPolarHBondContact O-CD2 3.45Å; A178-F182 PolarHBondContact O-N 2.91Å; A178-L217 HydrophobicContact CB-CD1 3.85Å; A178-L221 HydrophobicContact CB-CD2 3.86Å
179	I	94.1	Very high	91.6	Very high	0 Å²	0	66.7 Å²	66.7	0%	0	36%	0.356	C	S	.	.	H	α-helix	trans	-55.8	-47.4	176	-67	162.1	0	0	0	110.7	I175 L176 T181 F182 H183 G184 V186 I205 L207 L217	I175-I179 HydrophobicContact CG2-CD1 4.06Å; I175-I179 WeakPolarHBondContact O-CG1 3.33Å; I175-I179 PolarHBondContact O-N 3.23Å; L176-I179 HydrophobicContact CD2-CD1 4.35Å; L176-I179 WeakPolarHBondContact O-CB 3.2Å; L176-I179 PolarHBondContact O-N 2.85Å; I179-T181 VanDerWaalsContact C-N 3.34Å; I179-T181 PolarHBondContact O-N 3.11Å; I179-F182 CarbonylContact O-C 3.59Å; I179-F182 PolarHBondContact O-N 2.84Å; I179-H183 PolarHBondContact O-N 3.1Å; I179-G184 PolarHBondContact O-N 3.45Å; I179-V186 HydrophobicContact CB-CG2 4.35Å; I179-V186 HydrophobicContact CD1-CG2 4.01Å; I179-V186 HydrophobicContact CG2-CG2 3.74Å; I179-I205 HydrophobicContact CD1-CD1 4.31Å; I179-I205 HydrophobicContact CD1-CG2 3.87Å; I179-L207 HydrophobicContact CD1-CD2 3.99Å; I179-L207 HydrophobicContact CG1-CD2 4.36Å; I179-L217 HydrophobicContact CB-CD2 4.46Å; I179-L217 HydrophobicContact CG1-CD1 4.06Å; I179-L217 HydrophobicContact CG1-CD2 3.67Å
180	E	93.9	Very high	91.9	Very high	143 Å²	143	68.3 Å²	68.3	67%	0.668	36%	0.362	S	S	*	.	H	α-helix	trans	-60.3	-42	175.8	-174.3	-176	-176.4	0	0	112.2	L176 K177 A178 F182 H183	L176-E180 PolarHBondContact O-N 3.43Å; K177-E180 PolarHBondContact O-N 3.22Å; A178-E180 VanDerWaalsContact C-N 3.31Å; A178-E180 PolarHBondContact O-N 3.07Å; E180-F182 VanDerWaalsContact C-N 3.28Å; E180-F182 PolarHBondContact O-N 2.8Å; E180-H183 PolarHBondContact O-N 2.94Å
181	T	95.9	Very high	92.3	Very high	92 Å²	92	66.4 Å²	66.4	56%	0.564	35%	0.349	S	S	*	.	H	α-helix	trans	-61.9	-35.8	178.7	-56.2	0	0	0	0	112.1	K177 A178 I179 H183	K177-T181 WeakPolarHBondContact O-CB 3.45Å; K177-T181 PolarHBondContact O-N 3.14Å; K177-T181 PolarHBondContact O-OG1 2.84Å; A178-T181 WeakPolarHBondContact O-CB 3.5Å; A178-T181 PolarHBondContact O-N 3.19Å; A178-T181 VanDerWaalsContact O-N 3.07Å; I179-T181 VanDerWaalsContact C-N 3.34Å; I179-T181 PolarHBondContact O-N 3.11Å; T181-H183 PolarHBondContact O-N 3.09Å
182	F	95.2	Very high	92.6	Very high	39 Å²	39	72.5 Å²	72.5	17%	0.171	37%	0.372	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.8	21.4	174.8	-70.1	-76.1	0	0	0	112.7	A178 I179 E180 G184 M209 N213 Q216 L217	A178-F182 VanDerWaalsContact O-CD2 3.24Å; A178-F182 WeakPolarHBondContact O-CD2 3.45Å; A178-F182 PolarHBondContact O-N 2.91Å; I179-F182 CarbonylContact O-C 3.59Å; I179-F182 PolarHBondContact O-N 2.84Å; E180-F182 VanDerWaalsContact C-N 3.28Å; E180-F182 PolarHBondContact O-N 2.8Å; F182-G184 VanDerWaalsContact C-N 3.25Å; F182-G184 PolarHBondContact O-N 2.83Å; F182-M209 HydrophobicContact CB-CE 3.71Å; F182-M209 VanDerWaalsContact O-CE 3.27Å; F182-M209 WeakPolarHBondContact O-CE 3.47Å; F182-N213 HydrophobicContact CB-CB 4.43Å; F182-N213 VanDerWaalsContact O-CB 3.25Å; F182-N213 WeakPolarHBondContact O-CB 3.43Å; F182-N213 PolarHBondContact O-ND2 2.81Å; F182-N213 VanDerWaalsContact O-ND2 3.12Å; F182-Q216 HydrophobicContact CD1-CB 3.79Å; F182-Q216 HydrophobicContact CE1-CB 3.55Å; F182-Q216 HydrophobicContact CZ-CB 4.38Å; F182-L217 HydrophobicContact CB-CB 4.12Å; F182-L217 HydrophobicContact CB-CD1 4.49Å; F182-L217 HydrophobicContact CD2-CB 3.89Å; F182-L217 HydrophobicContact CD2-CD1 3.61Å; F182-L217 HydrophobicContact CD2-CG 4.39Å; F182-L217 HydrophobicContact CE2-CD1 4.3Å; F182-L217 HydrophobicContact CG-CB 4.03Å; F182-L217 HydrophobicContact CG-CD1 4.39Å
183	H	94.6	Very high	92.6	Very high	150 Å²	150	78.9 Å²	78.9	69%	0.694	40%	0.401	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.5	31.6	176.1	-51.6	-65.4	0	0	0	114.6	I179 E180 T181	I179-H183 PolarHBondContact O-N 3.1Å; E180-H183 PolarHBondContact O-N 2.94Å; T181-H183 PolarHBondContact O-N 3.09Å
184	G	93.6	Very high	92.4	Very high	12 Å²	12	77.5 Å²	77.5	12%	0.124	38%	0.384	C	S	.	.			trans	-90.1	148	172.6	0	0	0	0	0	113.1	I179 F182	I179-G184 PolarHBondContact O-N 3.45Å; F182-G184 VanDerWaalsContact C-N 3.25Å; F182-G184 PolarHBondContact O-N 2.83Å
185	T	94.3	Very high	92.2	Very high	80 Å²	80	83.3 Å²	83.3	49%	0.491	41%	0.406	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	120.5	174.9	-58.1	0	0	0	0	109.2	L207 D208	T185-L207 CarbonylContact O-C 3.48Å; T185-L207 WeakPolarHBondContact O-CA 3.49Å; T185-L207 WeakPolarHBondContact O-CB 3.47Å; T185-D208 PolarHBondContact N-O 2.91Å; T185-D208 PolarHBondContact O-N 3.2Å
186	V	94	Very high	91.8	Very high	52 Å²	52	86 Å²	86	32%	0.315	42%	0.423	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	121.8	178.3	179.7	0	0	0	0	109.8	L176 I179 V189 I205	L176-V186 HydrophobicContact CD2-CG1 4.4Å; L176-V186 HydrophobicContact CD2-CG2 4.01Å; I179-V186 HydrophobicContact CB-CG2 4.35Å; I179-V186 HydrophobicContact CD1-CG2 4.01Å; I179-V186 HydrophobicContact CG2-CG2 3.74Å; V186-V189 HydrophobicContact CG1-CG2 3.36Å; V186-I205 HydrophobicContact CG1-CG2 3.87Å; V186-I205 HydrophobicContact CG2-CG2 4.26Å
187	Q	91.1	Very high	91.1	Very high	114 Å²	114	92.6 Å²	92.6	53%	0.533	45%	0.452	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	-37.5	-179.6	-63.8	-61.7	-16.1	0	0	112.6	K206 D208	Q187-K206 HydrophobicContact CB-CB 4.42Å; Q187-K206 PolarHBondContact N-O 2.84Å; Q187-D208 WeakPolarHBondContact CG-OD2 3.45Å; Q187-D208 PolarHBondContact NE2-OD2 3.44Å
188	H	90.9	Very high	90.7	Very high	80 Å²	80	88.9 Å²	88.9	37%	0.37	45%	0.454	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.7	139.2	-177.9	-178	71.6	0	0	0	110.7	E190 I205 K206	H188-E190 IonicContact NE2-OE2 3.27Å; H188-E190 PolarHBondContact NE2-OE2 3.48Å; H188-I205 CarbonylContact O-C 3.56Å; H188-I205 WeakPolarHBondContact O-CA 3.4Å; H188-K206 HydrophobicContact CB-CB 3.93Å; H188-K206 HydrophobicContact CB-CD 4.24Å; H188-K206 HydrophobicContact CB-CG 4.08Å; H188-K206 PolarHBondContact N-O 2.89Å; H188-K206 PolarHBondContact O-N 3.13Å
189	V	93.9	Very high	90.4	Very high	60 Å²	60	88.8 Å²	88.8	36%	0.364	45%	0.452	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	127.3	171.8	-175.9	0	0	0	0	108.7	L172 L176 V186 V203 L204 I205	L172-V189 HydrophobicContact CD2-CG1 4.11Å; L176-V189 HydrophobicContact CD2-CG2 4.17Å; V186-V189 HydrophobicContact CG1-CG2 3.36Å; V189-V203 HydrophobicContact CG1-CG1 3.89Å; V189-L204 WeakPolarHBondContact CA-O 3.05Å; V189-I205 HydrophobicContact CG2-CG2 4.37Å
190	E	91.9	Very high	90.1	Very high	102 Å²	102	92 Å²	92	48%	0.477	47%	0.469	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	126.9	174.5	-177.5	-178.7	150.6	0	0	109.6	H188 V203 L204	H188-E190 IonicContact NE2-OE2 3.27Å; H188-E190 PolarHBondContact NE2-OE2 3.48Å; E190-V203 CarbonylContact O-C 3.58Å; E190-V203 WeakPolarHBondContact O-CA 3.37Å; E190-L204 HydrophobicContact CB-CB 4.46Å; E190-L204 PolarHBondContact N-O 2.84Å; E190-L204 PolarHBondContact O-N 3.16Å
191	S	91.9	Very high	90	Very high	63 Å²	63	87.2 Å²	87.2	44%	0.441	45%	0.447	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	146.1	175.9	61.5	0	0	0	0	111.1	D202	S191-D202 WeakPolarHBondContact CA-O 3.49Å
192	R	91.3	Very high	89.7	Confident	130 Å²	130	83.3 Å²	83.3	49%	0.491	42%	0.423	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	154.9	169.9	65.3	-178.5	-168.4	-170.3	2.8	110.4	S194 H201 D202	R192-S194 PolarHBondContact O-N 3.2Å; R192-H201 CarbonylContact O-C 3.06Å; R192-H201 VanDerWaalsContact O-CA 3.26Å; R192-H201 WeakPolarHBondContact O-CA 3.29Å; R192-D202 HydrophobicContact CG-CB 3.88Å; R192-D202 IonicContact CZ-OD2 3.69Å; R192-D202 PolarHBondContact N-O 3.47Å; R192-D202 IonicContact NE-OD2 3.6Å; R192-D202 PolarHBondContact NE-OD2 2.71Å; R192-D202 IonicContact NH2-OD2 3.71Å; R192-D202 PolarHBondContact NH2-OD2 2.8Å; R192-D202 PolarHBondContact O-N 3.29Å
193	Q	89.8	Confident	89.6	Confident	155 Å²	155	81.5 Å²	81.5	72%	0.724	41%	0.414	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-61.5	133.2	168.9	-166.9	171.3	17	0	0	109.5
194	S	86.5	Confident	89.5	Confident	17 Å²	17	76.7 Å²	76.7	12%	0.119	39%	0.394	C	S	.	.			trans	-74.1	150.1	-179.2	-159	0	0	0	0	110.9	R192 V196 V199 D200 D202	R192-S194 PolarHBondContact O-N 3.2Å; S194-V196 PolarHBondContact OG-N 3.2Å; S194-V199 WeakPolarHBondContact CB-O 3.41Å; S194-D200 PolarHBondContact N-O 3.45Å; S194-D202 WeakPolarHBondContact CB-OD1 3.43Å; S194-D202 PolarHBondContact OG-OD1 2.85Å
195	R	84.3	Confident	89.5	Confident	239 Å²	239	76.1 Å²	76.1	90%	0.902	39%	0.388	S	S	*	.	S	Bend	trans	-94.1	-5.4	170.1	-64.3	-177.6	179.2	-179	-2.5	112.2
196	V	81.4	Confident	89.4	Confident	61 Å²	61	75.4 Å²	75.4	37%	0.37	38%	0.378	S	S	.	.	S	Bend	trans	-88.7	127.9	-178.1	-177.9	0	0	0	0	108.6	S194 G198 V199	S194-V196 PolarHBondContact OG-N 3.2Å; V196-G198 PolarHBondContact O-N 3.19Å; V196-V199 HydrophobicContact CB-CB 4.25Å; V196-V199 HydrophobicContact CB-CG2 4.09Å; V196-V199 HydrophobicContact CG1-CG2 3.99Å; V196-V199 PolarHBondContact O-N 2.76Å; V196-V199 VanDerWaalsContact O-N 3.16Å
197	E	80.7	Confident	89.3	Confident	195 Å²	195	73 Å²	73	91%	0.911	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.4	134.1	177.4	-163.2	174.2	-173	0	0	110.9	V199	E197-V199 VanDerWaalsContact C-N 3.31Å; E197-V199 PolarHBondContact O-N 3.38Å
198	G	83.5	Confident	89.3	Confident	65 Å²	65	69.1 Å²	69.1	67%	0.67	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	79.7	4.6	-176.5	0	0	0	0	0	115.6	V196	V196-G198 PolarHBondContact O-N 3.19Å
199	V	85.8	Confident	89.4	Confident	16 Å²	16	65.3 Å²	65.3	10%	0.097	33%	0.328	C	S	.	.			trans	-116	132.1	171.6	-177.5	0	0	0	0	108.6	R164 L165 S194 V196 E197	R164-V199 HydrophobicContact CB-CG1 3.76Å; R164-V199 HydrophobicContact CG-CG1 4.37Å; L165-V199 WeakPolarHBondContact O-CG1 3.42Å; S194-V199 WeakPolarHBondContact CB-O 3.41Å; V196-V199 HydrophobicContact CB-CB 4.25Å; V196-V199 HydrophobicContact CB-CG2 4.09Å; V196-V199 HydrophobicContact CG1-CG2 3.99Å; V196-V199 PolarHBondContact O-N 2.76Å; V196-V199 VanDerWaalsContact O-N 3.16Å; E197-V199 VanDerWaalsContact C-N 3.31Å; E197-V199 PolarHBondContact O-N 3.38Å
200	D	87.9	Confident	89.3	Confident	67 Å²	67	64 Å²	64	36%	0.358	32%	0.321	S	S	.	.			trans	-85.2	-52.2	-176.7	-168.5	62.7	0	0	0	111	L165 G168 S194	L165-D200 PolarHBondContact O-N 2.87Å; G168-D200 VanDerWaalsContact CA-OD2 3.27Å; G168-D200 WeakPolarHBondContact CA-OD2 3.37Å; S194-D200 PolarHBondContact N-O 3.45Å
201	H	90.7	Very high	89	Confident	43 Å²	43	62 Å²	62	20%	0.199	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	143.4	-178.8	-71.8	77.8	0	0	0	112.8	L165 I169 R192 V203	L165-H201 PolarHBondContact N-O 2.75Å; I169-H201 HydrophobicContact CD1-CB 4.22Å; R192-H201 CarbonylContact O-C 3.06Å; R192-H201 VanDerWaalsContact O-CA 3.26Å; R192-H201 WeakPolarHBondContact O-CA 3.29Å; H201-V203 HydrophobicContact CB-CG2 4.45Å
202	D	90.6	Very high	88.8	Confident	10 Å²	10	59.1 Å²	59.1	5%	0.053	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	133	160.1	-57.3	-25.4	0	0	0	108.2	R164 S191 R192 S194	R164-D202 WeakPolarHBondContact CG-OD1 3.42Å; R164-D202 IonicContact NE-OD1 2.97Å; S191-D202 WeakPolarHBondContact CA-O 3.49Å; R192-D202 HydrophobicContact CG-CB 3.88Å; R192-D202 IonicContact CZ-OD2 3.69Å; R192-D202 PolarHBondContact N-O 3.47Å; R192-D202 IonicContact NE-OD2 3.6Å; R192-D202 PolarHBondContact NE-OD2 2.71Å; R192-D202 IonicContact NH2-OD2 3.71Å; R192-D202 PolarHBondContact NH2-OD2 2.8Å; R192-D202 PolarHBondContact O-N 3.29Å; S194-D202 WeakPolarHBondContact CB-OD1 3.43Å; S194-D202 PolarHBondContact OG-OD1 2.85Å
203	V	92.9	Very high	89	Confident	0 Å²	0	54.7 Å²	54.7	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	127.2	177.8	-171	0	0	0	0	110.5	V162 V163 L165 I169 L172 V189 E190 H201 I205	V162-V203 CarbonylContact C-O 3.08Å; V162-V203 WeakPolarHBondContact CA-O 3.12Å; V163-V203 PolarHBondContact N-O 2.91Å; V163-V203 PolarHBondContact O-N 3.11Å; L165-V203 HydrophobicContact CD1-CG2 3.63Å; L165-V203 HydrophobicContact CG-CG2 4.12Å; I169-V203 HydrophobicContact CD1-CG2 4.04Å; L172-V203 HydrophobicContact CD1-CG1 3.85Å; L172-V203 HydrophobicContact CD2-CG1 4.21Å; V189-V203 HydrophobicContact CG1-CG1 3.89Å; E190-V203 CarbonylContact O-C 3.58Å; E190-V203 WeakPolarHBondContact O-CA 3.37Å; H201-V203 HydrophobicContact CB-CG2 4.45Å; V203-I205 HydrophobicContact CG1-CD1 4.37Å; V203-I205 HydrophobicContact CG1-CG1 3.85Å
204	L	92.2	Very high	89.1	Confident	49 Å²	49	47.3 Å²	47.3	26%	0.257	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	126.9	168.3	174.7	67.3	0	0	0	108.9	A160 L161 V162 V189 E190	A160-L204 HydrophobicContact CB-CD1 4.03Å; L161-L204 CarbonylContact O-C 3.46Å; L161-L204 WeakPolarHBondContact O-CA 3.28Å; V162-L204 HydrophobicContact CG2-CD1 3.77Å; V189-L204 WeakPolarHBondContact CA-O 3.05Å; E190-L204 HydrophobicContact CB-CB 4.46Å; E190-L204 PolarHBondContact N-O 2.84Å; E190-L204 PolarHBondContact O-N 3.16Å
205	I	93.1	Very high	89.1	Confident	0 Å²	0	47.1 Å²	47.1	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	110.6	178.6	-52.3	174.4	0	0	0	107.9	A160 L161 L172 I175 L176 I179 V186 H188 V189 V203 L207	A160-I205 CarbonylContact C-O 3.53Å; A160-I205 WeakPolarHBondContact CA-O 3.14Å; L161-I205 HydrophobicContact CB-CB 4.45Å; L161-I205 PolarHBondContact N-O 3.25Å; L161-I205 PolarHBondContact O-N 2.9Å; L172-I205 HydrophobicContact CD1-CD1 3.83Å; L172-I205 HydrophobicContact CD1-CG1 4.49Å; I175-I205 HydrophobicContact CG2-CD1 3.71Å; L176-I205 HydrophobicContact CD2-CD1 4.5Å; I179-I205 HydrophobicContact CD1-CD1 4.31Å; I179-I205 HydrophobicContact CD1-CG2 3.87Å; V186-I205 HydrophobicContact CG1-CG2 3.87Å; V186-I205 HydrophobicContact CG2-CG2 4.26Å; H188-I205 CarbonylContact O-C 3.56Å; H188-I205 WeakPolarHBondContact O-CA 3.4Å; V189-I205 HydrophobicContact CG2-CG2 4.37Å; V203-I205 HydrophobicContact CG1-CD1 4.37Å; V203-I205 HydrophobicContact CG1-CG1 3.85Å; I205-L207 HydrophobicContact CG2-CD2 4.07Å
206	K	92.3	Very high	89.4	Confident	65 Å²	65	40 Å²	40	28%	0.283	22%	0.216	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	133.6	167.8	-57.7	-167.1	168.6	-149.8	0	109.3	A159 A160 Q187 H188 D235	A159-K206 CarbonylContact O-C 3.51Å; A159-K206 WeakPolarHBondContact O-CA 3.37Å; A160-K206 HydrophobicContact CB-CG 4.2Å; Q187-K206 HydrophobicContact CB-CB 4.42Å; Q187-K206 PolarHBondContact N-O 2.84Å; H188-K206 HydrophobicContact CB-CB 3.93Å; H188-K206 HydrophobicContact CB-CD 4.24Å; H188-K206 HydrophobicContact CB-CG 4.08Å; H188-K206 PolarHBondContact N-O 2.89Å; H188-K206 PolarHBondContact O-N 3.13Å; K206-D235 IonicContact NZ-OD1 2.83Å; K206-D235 PolarHBondContact NZ-OD1 2.97Å
207	L	92.7	Very high	90	Very high	1 Å²	1	37 Å²	37	1%	0.005	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.2	153.6	-174.9	64.9	100.7	0	0	0	111.5	A159 L161 I179 T185 I205 M209 L214	A159-L207 PolarHBondContact N-O 2.9Å; A159-L207 PolarHBondContact O-N 3.11Å; L161-L207 HydrophobicContact CD1-CD2 3.56Å; L161-L207 HydrophobicContact CG-CD2 3.9Å; I179-L207 HydrophobicContact CD1-CD2 3.99Å; I179-L207 HydrophobicContact CG1-CD2 4.36Å; T185-L207 CarbonylContact O-C 3.48Å; T185-L207 WeakPolarHBondContact O-CA 3.49Å; T185-L207 WeakPolarHBondContact O-CB 3.47Å; I205-L207 HydrophobicContact CG2-CD2 4.07Å; L207-M209 HydrophobicContact CD1-CB 4.28Å; L207-M209 HydrophobicContact CD1-CG 3.67Å; L207-M209 HydrophobicContact CD1-SD 3.27Å; L207-M209 WeakPolarHBondContact CD1-SD 3.4Å; L207-L214 HydrophobicContact CD1-CD1 4.23Å
208	D	91.4	Very high	90.4	Very high	33 Å²	33	27.9 Å²	27.9	18%	0.176	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	127.2	174.1	-59.9	-32.8	0	0	0	109.4	M156 Q157 S158 T185 Q187	M156-D208 HydrophobicContact CE-CB 3.54Å; Q157-D208 WeakPolarHBondContact O-CA 3.44Å; S158-D208 VanDerWaalsContact CA-OD1 3.3Å; S158-D208 WeakPolarHBondContact CA-OD1 3.37Å; S158-D208 WeakPolarHBondContact CB-OD1 3.31Å; S158-D208 PolarHBondContact OG-OD1 2.94Å; T185-D208 PolarHBondContact N-O 2.91Å; T185-D208 PolarHBondContact O-N 3.2Å; Q187-D208 WeakPolarHBondContact CG-OD2 3.45Å; Q187-D208 PolarHBondContact NE2-OD2 3.44Å
209	M	93.1	Very high	90.5	Very high	0 Å²	0	31 Å²	31	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159	170.7	175	69.7	-166.2	-57.5	0	0	110.9	Q157 F182 L207 N213 L214 L217	Q157-M209 PolarHBondContact N-O 2.86Å; Q157-M209 PolarHBondContact O-N 2.88Å; Q157-M209 VanDerWaalsContact O-N 3.1Å; Q157-M209 VanDerWaalsContact O-O 3.11Å; F182-M209 HydrophobicContact CB-CE 3.71Å; F182-M209 VanDerWaalsContact O-CE 3.27Å; F182-M209 WeakPolarHBondContact O-CE 3.47Å; L207-M209 HydrophobicContact CD1-CB 4.28Å; L207-M209 HydrophobicContact CD1-CG 3.67Å; L207-M209 HydrophobicContact CD1-SD 3.27Å; L207-M209 WeakPolarHBondContact CD1-SD 3.4Å; M209-N213 VanDerWaalsContact CE-C 3.41Å; M209-N213 HydrophobicContact CE-CB 3.59Å; M209-N213 WeakPolarHBondContact CE-O 3.31Å; M209-L214 HydrophobicContact CG-CB 3.67Å; M209-L214 HydrophobicContact CG-CD1 4.25Å; M209-L214 HydrophobicContact CG-CG 4.4Å; M209-L214 VanDerWaalsContact SD-CA 3.54Å; M209-L214 HydrophobicContact SD-CB 3.75Å; M209-L214 HydrophobicContact SD-CD1 3.6Å; M209-L214 VanDerWaalsContact SD-CD1 3.6Å; M209-L214 HydrophobicContact SD-CG 4.24Å; M209-L217 HydrophobicContact CE-CB 4.09Å; M209-L217 HydrophobicContact CE-CD2 4.04Å; M209-L217 HydrophobicContact SD-CD2 3.68Å
210	T	90.8	Very high	90.7	Very high	34 Å²	34	32.4 Å²	32.4	21%	0.209	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.4	150.7	175.5	63.3	0	0	0	0	111.2	A154 A155 M156 G212 N213 L214	A154-T210 WeakPolarHBondContact O-CG2 3.41Å; A155-T210 WeakPolarHBondContact O-CA 3.32Å; M156-T210 HydrophobicContact SD-CG2 4.41Å; T210-G212 VanDerWaalsContact C-N 3.31Å; T210-G212 PolarHBondContact O-N 3.24Å; T210-N213 PolarHBondContact O-N 3.44Å; T210-N213 WeakPolarHBondContact OG1-CB 3.32Å; T210-N213 PolarHBondContact OG1-N 2.89Å; T210-N213 PolarHBondContact OG1-ND2 3.34Å; T210-L214 PolarHBondContact O-N 3.32Å
211	R	86.2	Confident	90.7	Very high	58 Å²	58	29.5 Å²	29.5	22%	0.219	14%	0.142	C	C	.	.	H	α-helix	trans	-56.4	-45.5	-179.2	-57.3	-166.4	175.8	142.2	-0.5	112.4	L142 A145 A146 A152 E153 A155 Q157 N213 L214 L215	L142-R211 HydrophobicContact CD1-CB 3.8Å; L142-R211 HydrophobicContact CD1-CG 3.94Å; A145-R211 PolarHBondContact O-NH1 3.3Å; A146-R211 HydrophobicContact CB-CB 3.86Å; A152-R211 WeakPolarHBondContact O-CD 3.48Å; E153-R211 PolarHBondContact O-N 3.07Å; A155-R211 PolarHBondContact O-N 3.05Å; A155-R211 VanDerWaalsContact O-N 3.15Å; Q157-R211 HydrophobicContact CB-CG 4.19Å; Q157-R211 VanDerWaalsContact OE1-CG 3.31Å; Q157-R211 VanDerWaalsContact OE1-NE 3.14Å; R211-N213 PolarHBondContact O-N 3.2Å; R211-L214 PolarHBondContact O-N 3.26Å; R211-L215 PolarHBondContact O-N 3.16Å; R211-L215 VanDerWaalsContact O-N 3.13Å
212	G	88.6	Confident	90.4	Very high	4 Å²	4	31.9 Å²	31.9	4%	0.041	15%	0.149	C	C	.	.	H	α-helix	trans	-59	-46	177.7	0	0	0	0	0	112.6	E153 T210 L214 L215 Q216	E153-G212 PolarHBondContact O-N 3.11Å; E153-G212 VanDerWaalsContact O-N 3.07Å; T210-G212 VanDerWaalsContact C-N 3.31Å; T210-G212 PolarHBondContact O-N 3.24Å; G212-L214 PolarHBondContact O-N 3.16Å; G212-L215 PolarHBondContact O-N 3.35Å; G212-Q216 WeakPolarHBondContact O-CG 3.45Å; G212-Q216 PolarHBondContact O-N 3.12Å
213	N	93.9	Very high	90	Very high	37 Å²	37	39.3 Å²	39.3	20%	0.198	18%	0.183	C	C	.	.	H	α-helix	trans	-69.5	-34.7	179.5	-70.5	-9.6	0	0	0	112.2	F182 M209 T210 R211 L215 Q216 L217	F182-N213 HydrophobicContact CB-CB 4.43Å; F182-N213 VanDerWaalsContact O-CB 3.25Å; F182-N213 WeakPolarHBondContact O-CB 3.43Å; F182-N213 PolarHBondContact O-ND2 2.81Å; F182-N213 VanDerWaalsContact O-ND2 3.12Å; M209-N213 VanDerWaalsContact CE-C 3.41Å; M209-N213 HydrophobicContact CE-CB 3.59Å; M209-N213 WeakPolarHBondContact CE-O 3.31Å; T210-N213 PolarHBondContact O-N 3.44Å; T210-N213 WeakPolarHBondContact OG1-CB 3.32Å; T210-N213 PolarHBondContact OG1-N 2.89Å; T210-N213 PolarHBondContact OG1-ND2 3.34Å; R211-N213 PolarHBondContact O-N 3.2Å; N213-L215 VanDerWaalsContact C-N 3.35Å; N213-Q216 PolarHBondContact O-N 3.29Å; N213-L217 WeakPolarHBondContact O-CB 3.31Å; N213-L217 PolarHBondContact O-N 2.81Å
214	L	91.7	Very high	89.4	Confident	0 Å²	0	42.1 Å²	42.1	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-61.8	-43.4	176.3	-178.3	54.3	0	0	0	111.3	L142 A159 L207 M209 T210 R211 G212 Q216 L217 I218 L232	L142-L214 HydrophobicContact CD1-CD2 4.07Å; L142-L214 HydrophobicContact CD2-CB 3.95Å; L142-L214 HydrophobicContact CD2-CD2 3.49Å; L142-L214 VanDerWaalsContact CD2-CD2 3.49Å; L142-L214 HydrophobicContact CD2-CG 3.52Å; L142-L214 HydrophobicContact CG-CD2 4.45Å; A159-L214 HydrophobicContact CB-CD1 4.46Å; A159-L214 HydrophobicContact CB-CD2 3.62Å; L207-L214 HydrophobicContact CD1-CD1 4.23Å; M209-L214 HydrophobicContact CG-CB 3.67Å; M209-L214 HydrophobicContact CG-CD1 4.25Å; M209-L214 HydrophobicContact CG-CG 4.4Å; M209-L214 VanDerWaalsContact SD-CA 3.54Å; M209-L214 HydrophobicContact SD-CB 3.75Å; M209-L214 HydrophobicContact SD-CD1 3.6Å; M209-L214 VanDerWaalsContact SD-CD1 3.6Å; M209-L214 HydrophobicContact SD-CG 4.24Å; T210-L214 PolarHBondContact O-N 3.32Å; R211-L214 PolarHBondContact O-N 3.26Å; G212-L214 PolarHBondContact O-N 3.16Å; L214-Q216 VanDerWaalsContact C-N 3.34Å; L214-Q216 PolarHBondContact O-N 2.48Å; L214-L217 HydrophobicContact CD1-CD2 4.36Å; L214-L217 PolarHBondContact O-N 2.91Å; L214-I218 HydrophobicContact CD1-CD1 4.01Å; L214-I218 HydrophobicContact CD1-CG1 4.28Å; L214-I218 HydrophobicContact CG-CD1 4.05Å; L214-I218 VanDerWaalsContact O-CG1 3.27Å; L214-I218 WeakPolarHBondContact O-CG1 3.38Å; L214-I218 PolarHBondContact O-N 3.41Å; L214-L232 HydrophobicContact CD1-CD1 4.4Å; L214-L232 HydrophobicContact CD2-CD1 4.13Å
215	L	88.4	Confident	88.4	Confident	13 Å²	13	42.5 Å²	42.5	7%	0.068	22%	0.219	C	C	.	.	H	α-helix	trans	-61.9	-42.6	175.2	-70.8	165.4	0	0	0	111.9	L142 A143 A146 R211 G212 N213 I218 R219	L142-L215 HydrophobicContact CB-CD2 4.26Å; L142-L215 HydrophobicContact CD2-CD2 3.65Å; L142-L215 HydrophobicContact CD2-CG 3.74Å; L142-L215 HydrophobicContact CG-CD1 4.34Å; L142-L215 HydrophobicContact CG-CD2 3.86Å; L142-L215 HydrophobicContact CG-CG 3.86Å; A143-L215 HydrophobicContact CB-CD1 4.24Å; A143-L215 HydrophobicContact CB-CD2 4.1Å; A146-L215 HydrophobicContact CB-CD1 3.8Å; R211-L215 PolarHBondContact O-N 3.16Å; R211-L215 VanDerWaalsContact O-N 3.13Å; G212-L215 PolarHBondContact O-N 3.35Å; N213-L215 VanDerWaalsContact C-N 3.35Å; L215-I218 PolarHBondContact O-N 2.98Å; L215-R219 VanDerWaalsContact O-CG 3.31Å; L215-R219 WeakPolarHBondContact O-CG 3.2Å; L215-R219 PolarHBondContact O-N 3.19Å; L215-R219 VanDerWaalsContact O-N 3.1Å
216	Q	90.5	Very high	87.3	Confident	88 Å²	88	43.1 Å²	43.1	41%	0.411	22%	0.223	S	C	.	.	H	α-helix	trans	-66.4	-41.7	177.9	-67	179	14.5	0	0	112.1	F182 G212 N213 L214 R219 S220	F182-Q216 HydrophobicContact CD1-CB 3.79Å; F182-Q216 HydrophobicContact CE1-CB 3.55Å; F182-Q216 HydrophobicContact CZ-CB 4.38Å; G212-Q216 WeakPolarHBondContact O-CG 3.45Å; G212-Q216 PolarHBondContact O-N 3.12Å; N213-Q216 PolarHBondContact O-N 3.29Å; L214-Q216 VanDerWaalsContact C-N 3.34Å; L214-Q216 PolarHBondContact O-N 2.48Å; Q216-R219 PolarHBondContact O-N 3.25Å; Q216-S220 WeakPolarHBondContact O-CB 3.31Å; Q216-S220 PolarHBondContact O-N 3.42Å
217	L	92.3	Very high	86.6	Confident	0 Å²	0	41 Å²	41	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-57.4	-49.9	174.6	173.2	70.4	0	0	0	111	L161 A178 I179 F182 M209 N213 L214 R219 S220 L221	L161-L217 HydrophobicContact CD1-CD2 4.19Å; A178-L217 HydrophobicContact CB-CD1 3.85Å; I179-L217 HydrophobicContact CB-CD2 4.46Å; I179-L217 HydrophobicContact CG1-CD1 4.06Å; I179-L217 HydrophobicContact CG1-CD2 3.67Å; F182-L217 HydrophobicContact CB-CB 4.12Å; F182-L217 HydrophobicContact CB-CD1 4.49Å; F182-L217 HydrophobicContact CD2-CB 3.89Å; F182-L217 HydrophobicContact CD2-CD1 3.61Å; F182-L217 HydrophobicContact CD2-CG 4.39Å; F182-L217 HydrophobicContact CE2-CD1 4.3Å; F182-L217 HydrophobicContact CG-CB 4.03Å; F182-L217 HydrophobicContact CG-CD1 4.39Å; M209-L217 HydrophobicContact CE-CB 4.09Å; M209-L217 HydrophobicContact CE-CD2 4.04Å; M209-L217 HydrophobicContact SD-CD2 3.68Å; N213-L217 WeakPolarHBondContact O-CB 3.31Å; N213-L217 PolarHBondContact O-N 2.81Å; L214-L217 HydrophobicContact CD1-CD2 4.36Å; L214-L217 PolarHBondContact O-N 2.91Å; L217-R219 PolarHBondContact O-N 3.14Å; L217-S220 PolarHBondContact O-N 2.74Å; L217-L221 HydrophobicContact CD1-CD1 3.71Å; L217-L221 HydrophobicContact CD1-CG 3.98Å; L217-L221 HydrophobicContact CD2-CD1 4.4Å; L217-L221 HydrophobicContact CG-CD1 3.77Å; L217-L221 HydrophobicContact CG-CG 4.33Å; L217-L221 WeakPolarHBondContact O-CB 3.27Å; L217-L221 VanDerWaalsContact O-CG 3.29Å; L217-L221 WeakPolarHBondContact O-CG 3.49Å; L217-L221 PolarHBondContact O-N 3.09Å
218	I	89.3	Confident	85.8	Confident	2 Å²	2	43.7 Å²	43.7	1%	0.01	23%	0.233	C	C	.	.	H	α-helix	trans	-60.5	-46.5	-179.2	-71.5	169.1	0	0	0	110.9	E139 L142 L161 L214 L215 S220 L221 R222 M230 L232	E139-I218 HydrophobicContact CG-CD1 4.02Å; E139-I218 HydrophobicContact CG-CG2 4.28Å; E139-I218 WeakPolarHBondContact OE1-CG2 3.37Å; L142-I218 HydrophobicContact CD2-CD1 4.43Å; L161-I218 HydrophobicContact CD2-CD1 4.48Å; L161-I218 HydrophobicContact CD2-CG1 4.36Å; L214-I218 HydrophobicContact CD1-CD1 4.01Å; L214-I218 HydrophobicContact CD1-CG1 4.28Å; L214-I218 HydrophobicContact CG-CD1 4.05Å; L214-I218 VanDerWaalsContact O-CG1 3.27Å; L214-I218 WeakPolarHBondContact O-CG1 3.38Å; L214-I218 PolarHBondContact O-N 3.41Å; L215-I218 PolarHBondContact O-N 2.98Å; I218-S220 PolarHBondContact O-N 2.71Å; I218-L221 PolarHBondContact O-N 3.12Å; I218-R222 WeakPolarHBondContact O-CG 3.33Å; I218-R222 PolarHBondContact O-N 3.01Å; I218-M230 HydrophobicContact CG1-SD 4.47Å; I218-L232 HydrophobicContact CD1-CB 4.18Å; I218-L232 HydrophobicContact CD1-CD1 4.24Å; I218-L232 HydrophobicContact CD1-CD2 3.76Å; I218-L232 HydrophobicContact CD1-CG 4.28Å
219	R	86.9	Confident	85.3	Confident	131 Å²	131	43.8 Å²	43.8	49%	0.494	24%	0.236	S	C	.	.	H	α-helix	trans	-60.1	-46.3	176.4	-69.1	176.2	-156.1	167.6	6.2	111.5	L215 Q216 L217 R222 Q223	L215-R219 VanDerWaalsContact O-CG 3.31Å; L215-R219 WeakPolarHBondContact O-CG 3.2Å; L215-R219 PolarHBondContact O-N 3.19Å; L215-R219 VanDerWaalsContact O-N 3.1Å; Q216-R219 PolarHBondContact O-N 3.25Å; L217-R219 PolarHBondContact O-N 3.14Å; R219-R222 PolarHBondContact O-N 2.94Å; R219-Q223 WeakPolarHBondContact O-CG 3.33Å; R219-Q223 PolarHBondContact O-N 3.37Å; R219-Q223 VanDerWaalsContact O-N 3.11Å
220	S	88.7	Confident	84.8	Confident	46 Å²	46	44.2 Å²	44.2	32%	0.322	24%	0.238	S	C	.	.	H	α-helix	trans	-62	-44.8	179.1	-179	0	0	0	0	111.9	Q216 L217 I218 Q223 S224	Q216-S220 WeakPolarHBondContact O-CB 3.31Å; Q216-S220 PolarHBondContact O-N 3.42Å; L217-S220 PolarHBondContact O-N 2.74Å; I218-S220 PolarHBondContact O-N 2.71Å; S220-Q223 PolarHBondContact O-N 2.98Å; S220-S224 PolarHBondContact O-N 3.16Å
221	L	88.1	Confident	84.5	Confident	6 Å²	6	46.2 Å²	46.2	3%	0.031	25%	0.248	C	C	.	.	H	α-helix	trans	-64.3	-44.3	178.6	-72.8	176.2	0	0	0	111	I175 A178 L217 I218 Q223 S224 F227 M230	I175-L221 HydrophobicContact CB-CD2 4.46Å; I175-L221 HydrophobicContact CG1-CD2 4.17Å; I175-L221 HydrophobicContact CG2-CD1 4.15Å; I175-L221 HydrophobicContact CG2-CD2 4.34Å; A178-L221 HydrophobicContact CB-CD2 3.86Å; L217-L221 HydrophobicContact CD1-CD1 3.71Å; L217-L221 HydrophobicContact CD1-CG 3.98Å; L217-L221 HydrophobicContact CD2-CD1 4.4Å; L217-L221 HydrophobicContact CG-CD1 3.77Å; L217-L221 HydrophobicContact CG-CG 4.33Å; L217-L221 WeakPolarHBondContact O-CB 3.27Å; L217-L221 VanDerWaalsContact O-CG 3.29Å; L217-L221 WeakPolarHBondContact O-CG 3.49Å; L217-L221 PolarHBondContact O-N 3.09Å; I218-L221 PolarHBondContact O-N 3.12Å; L221-Q223 PolarHBondContact O-N 3.46Å; L221-S224 WeakPolarHBondContact O-CB 3.39Å; L221-S224 PolarHBondContact O-N 3.1Å; L221-S224 PolarHBondContact O-OG 3.48Å; L221-F227 HydrophobicContact CB-CE1 3.76Å; L221-F227 HydrophobicContact CB-CZ 3.78Å; L221-F227 WeakPolarHBondContact O-CE1 3.2Å; L221-F227 WeakPolarHBondContact O-CZ 3.48Å; L221-M230 HydrophobicContact CB-CE 3.6Å; L221-M230 HydrophobicContact CB-SD 4.38Å; L221-M230 HydrophobicContact CD1-CE 3.41Å; L221-M230 VanDerWaalsContact CD1-CE 3.41Å; L221-M230 HydrophobicContact CD1-SD 4.36Å; L221-M230 HydrophobicContact CG-CE 4.08Å
222	R	84.4	Confident	84.3	Confident	92 Å²	92	43.7 Å²	43.7	35%	0.347	24%	0.238	S	C	.	.	H	α-helix	trans	-61	-34	177.4	-74.3	179.8	178	-145.2	4.2	112.4	G134 E139 I218 R219 S224	G134-R222 PolarHBondContact O-NH1 3.39Å; E139-R222 IonicContact OE1-CZ 3.91Å; E139-R222 IonicContact OE1-NE 2.7Å; E139-R222 IonicContact OE1-NH2 3.32Å; E139-R222 PolarHBondContact OE1-NH2 2.76Å; E139-R222 IonicContact OE2-CZ 3.68Å; E139-R222 IonicContact OE2-NE 3.65Å; E139-R222 IonicContact OE2-NH1 3.4Å; E139-R222 IonicContact OE2-NH2 3.5Å; E139-R222 PolarHBondContact OE2-NH2 3.42Å; I218-R222 WeakPolarHBondContact O-CG 3.33Å; I218-R222 PolarHBondContact O-N 3.01Å; R219-R222 PolarHBondContact O-N 2.94Å; R222-S224 VanDerWaalsContact C-N 3.32Å
223	Q	83.6	Confident	83.5	Confident	166 Å²	166	45.7 Å²	45.7	78%	0.776	25%	0.247	S	C	*	.	H	α-helix	trans	-71.2	-24.7	174.9	-70.6	173.2	5.4	0	0	113.5	R219 S220 L221 G225	R219-Q223 WeakPolarHBondContact O-CG 3.33Å; R219-Q223 PolarHBondContact O-N 3.37Å; R219-Q223 VanDerWaalsContact O-N 3.11Å; S220-Q223 PolarHBondContact O-N 2.98Å; L221-Q223 PolarHBondContact O-N 3.46Å; Q223-G225 VanDerWaalsContact C-N 3.26Å; Q223-G225 PolarHBondContact O-N 2.83Å
224	S	79.2	Confident	81.9	Confident	59 Å²	59	44.1 Å²	44.1	41%	0.413	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.9	-15.8	-177.9	77.5	0	0	0	0	114.7	S220 L221 R222 S226	S220-S224 PolarHBondContact O-N 3.16Å; L221-S224 WeakPolarHBondContact O-CB 3.39Å; L221-S224 PolarHBondContact O-N 3.1Å; L221-S224 PolarHBondContact O-OG 3.48Å; R222-S224 VanDerWaalsContact C-N 3.32Å; S224-S226 PolarHBondContact O-N 2.7Å; S224-S226 PolarHBondContact O-OG 3.14Å
225	G	71.8	Confident	80	Confident	58 Å²	58	46.6 Å²	46.6	60%	0.598	25%	0.253	S	S	*	.			trans	61.4	8.3	177.4	0	0	0	0	0	116.2	Q223 F227	Q223-G225 VanDerWaalsContact C-N 3.26Å; Q223-G225 PolarHBondContact O-N 2.83Å; G225-F227 VanDerWaalsContact C-N 3.3Å; G225-F227 PolarHBondContact O-N 3.14Å
226	S	69.4	Low	77.9	Confident	12 Å²	12	52.7 Å²	52.7	8%	0.084	29%	0.286	C	S	.	.			trans	-84	-1.7	-166.8	-55.9	0	0	0	0	114.5	R174 S224	R174-S226 PolarHBondContact NH1-OG 3.41Å; S224-S226 PolarHBondContact O-N 2.7Å; S224-S226 PolarHBondContact O-OG 3.14Å
227	F	77.5	Confident	75.6	Confident	21 Å²	21	53.2 Å²	53.2	9%	0.092	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	156.4	-176.6	48.5	-96.7	0	0	0	110.9	V163 R164 L165 L221 G225 M230	V163-F227 HydrophobicContact CG1-CB 3.53Å; V163-F227 HydrophobicContact CG1-CD1 3.92Å; V163-F227 HydrophobicContact CG1-CD2 4.12Å; V163-F227 HydrophobicContact CG1-CG 3.6Å; R164-F227 CarbonylContact O-C 3.6Å; R164-F227 WeakPolarHBondContact O-CA 3.33Å; R164-F227 WeakPolarHBondContact O-CB 3.14Å; L165-F227 HydrophobicContact CD2-CB 4.34Å; L221-F227 HydrophobicContact CB-CE1 3.76Å; L221-F227 HydrophobicContact CB-CZ 3.78Å; L221-F227 WeakPolarHBondContact O-CE1 3.2Å; L221-F227 WeakPolarHBondContact O-CZ 3.48Å; G225-F227 VanDerWaalsContact C-N 3.3Å; G225-F227 PolarHBondContact O-N 3.14Å; F227-M230 HydrophobicContact CD2-CB 4.07Å; F227-M230 HydrophobicContact CE1-CE 3.83Å; F227-M230 HydrophobicContact CE2-CB 3.59Å; F227-M230 HydrophobicContact CE2-CE 4.01Å; F227-M230 HydrophobicContact CZ-CB 4.21Å; F227-M230 HydrophobicContact CZ-CE 3.48Å; F227-M230 VanDerWaalsContact CZ-CE 3.48Å; F227-M230 HydrophobicContact CZ-SD 4.36Å
228	S	76.8	Confident	73	Confident	57 Å²	57	55.8 Å²	55.8	40%	0.399	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	-43.3	178.8	-164.8	0	0	0	0	112.5	R164 K166	R164-S228 PolarHBondContact O-N 3.42Å; K166-S228 VanDerWaalsContact CE-OG 3.24Å; K166-S228 WeakPolarHBondContact CE-OG 3.18Å
229	S	80.1	Confident	70.6	Confident	36 Å²	36	59.6 Å²	59.6	25%	0.252	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.1	152.5	-176.8	61.9	0	0	0	0	109.3	R164	R164-S229 WeakPolarHBondContact CD-OG 3.47Å; R164-S229 PolarHBondContact N-O 3.36Å
230	M	83.5	Confident	68.5	Low	9 Å²	9	59.8 Å²	59.8	4%	0.044	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	135.1	172.5	172	-177.4	-70.2	0	0	108	L161 V162 V163 I218 L221 F227	L161-M230 HydrophobicContact CD2-CG 4.42Å; L161-M230 HydrophobicContact CD2-SD 4.28Å; V162-M230 WeakPolarHBondContact O-CA 3.34Å; V163-M230 HydrophobicContact CG1-CE 4.42Å; V163-M230 HydrophobicContact CG2-CE 3.88Å; V163-M230 HydrophobicContact CG2-CG 4.37Å; I218-M230 HydrophobicContact CG1-SD 4.47Å; L221-M230 HydrophobicContact CB-CE 3.6Å; L221-M230 HydrophobicContact CB-SD 4.38Å; L221-M230 HydrophobicContact CD1-CE 3.41Å; L221-M230 VanDerWaalsContact CD1-CE 3.41Å; L221-M230 HydrophobicContact CD1-SD 4.36Å; L221-M230 HydrophobicContact CG-CE 4.08Å; F227-M230 HydrophobicContact CD2-CB 4.07Å; F227-M230 HydrophobicContact CE1-CE 3.83Å; F227-M230 HydrophobicContact CE2-CB 3.59Å; F227-M230 HydrophobicContact CE2-CE 4.01Å; F227-M230 HydrophobicContact CZ-CB 4.21Å; F227-M230 HydrophobicContact CZ-CE 3.48Å; F227-M230 VanDerWaalsContact CZ-CE 3.48Å; F227-M230 HydrophobicContact CZ-SD 4.36Å
231	N	82.9	Confident	66.5	Low	75 Å²	75	66.2 Å²	66.2	40%	0.401	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	125.8	170	-63.9	-57.9	0	0	0	108.8	L161 V162	L161-N231 WeakPolarHBondContact CA-O 3.11Å; V162-N231 PolarHBondContact N-O 3.35Å; V162-N231 PolarHBondContact O-N 3.31Å
232	L	83.8	Confident	65.2	Low	5 Å²	5	68.6 Å²	68.6	3%	0.026	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	138	162.6	176.8	65.5	0	0	0	108.3	D138 E139 L142 A159 L161 L214 I218	D138-L232 HydrophobicContact CB-CB 4.19Å; D138-L232 HydrophobicContact CB-CD2 3.96Å; D138-L232 HydrophobicContact CB-CG 3.93Å; E139-L232 HydrophobicContact CG-CB 4.16Å; E139-L232 HydrophobicContact CG-CD2 3.89Å; L142-L232 HydrophobicContact CB-CD2 4.45Å; L142-L232 HydrophobicContact CD2-CD2 3.81Å; A159-L232 HydrophobicContact CB-CD1 3.79Å; L161-L232 HydrophobicContact CD2-CB 4.18Å; L161-L232 HydrophobicContact CD2-CD1 3.74Å; L214-L232 HydrophobicContact CD1-CD1 4.4Å; L214-L232 HydrophobicContact CD2-CD1 4.13Å; I218-L232 HydrophobicContact CD1-CB 4.18Å; I218-L232 HydrophobicContact CD1-CD1 4.24Å; I218-L232 HydrophobicContact CD1-CD2 3.76Å; I218-L232 HydrophobicContact CD1-CG 4.28Å
233	M	70.1	Confident	64.7	Low	46 Å²	46	66.2 Å²	66.2	23%	0.227	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	120.3	167.5	-58.1	-178.9	66.4	0	0	106.5	A160 V162 D235 L238	A160-M233 HydrophobicContact CB-CB 4.21Å; A160-M233 PolarHBondContact N-O 3.1Å; A160-M233 PolarHBondContact O-N 3.17Å; V162-M233 HydrophobicContact CG2-SD 3.89Å; M233-D235 PolarHBondContact O-N 3.45Å; M233-L238 HydrophobicContact CE-CD2 3.94Å; M233-L238 HydrophobicContact CE-CG 4.18Å
234	A	60.9	Low	64.6	Low	5 Å²	5	65 Å²	65	4%	0.041	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.6	134.9	168.3	0	0	0	0	0	108.8	D138 N236 N237 L238	D138-A234 PolarHBondContact OD1-N 3.33Å; A234-N236 PolarHBondContact O-N 3.11Å; A234-N237 HydrophobicContact CB-CB 4.17Å; A234-N237 WeakPolarHBondContact O-CA 3.47Å; A234-N237 PolarHBondContact O-N 2.95Å; A234-L238 PolarHBondContact O-N 2.83Å; A234-L238 VanDerWaalsContact O-N 3.1Å
235	D	50.9	Low	65.1	Low	52 Å²	52	63.3 Å²	63.3	28%	0.278	35%	0.353	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.4	-24.1	175.8	-136.8	15	0	0	0	110.1	K206 M233 N237 L238	K206-D235 IonicContact NZ-OD1 2.83Å; K206-D235 PolarHBondContact NZ-OD1 2.97Å; M233-D235 PolarHBondContact O-N 3.45Å; D235-N237 VanDerWaalsContact C-N 3.31Å; D235-N237 PolarHBondContact O-N 3.06Å; D235-L238 CarbonylContact O-C 3.55Å; D235-L238 WeakPolarHBondContact O-CA 3.32Å; D235-L238 WeakPolarHBondContact O-CB 3.46Å; D235-L238 PolarHBondContact O-N 3.33Å; D235-L238 VanDerWaalsContact O-O 3.11Å
236	N	45.3	Very low	66	Low	141 Å²	141	60.7 Å²	60.7	75%	0.754	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.6	-16.1	169.1	-77.3	-2.8	0	0	0	114.4	A234 N239	A234-N236 PolarHBondContact O-N 3.11Å; N236-N239 WeakPolarHBondContact O-CB 3.32Å; N236-N239 PolarHBondContact O-N 2.91Å
237	N	42.7	Very low	66.9	Low	98 Å²	98	64.6 Å²	64.6	52%	0.524	34%	0.341	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.1	-15.1	168	-83.3	-17.1	0	0	0	112.2	D138 A234 D235 N239	D138-N237 PolarHBondContact OD1-ND2 2.81Å; A234-N237 HydrophobicContact CB-CB 4.17Å; A234-N237 WeakPolarHBondContact O-CA 3.47Å; A234-N237 PolarHBondContact O-N 2.95Å; D235-N237 VanDerWaalsContact C-N 3.31Å; D235-N237 PolarHBondContact O-N 3.06Å; N237-N239 PolarHBondContact O-N 2.85Å; N237-N239 VanDerWaalsContact O-N 3.14Å
238	L	38	Very low	67.6	Low	54 Å²	54	65.1 Å²	65.1	28%	0.283	34%	0.344	S	S	.	.	S	Bend	trans	-78.7	49	146.3	-67	169.9	0	0	0	108.8	M233 A234 D235 V240	M233-L238 HydrophobicContact CE-CD2 3.94Å; M233-L238 HydrophobicContact CE-CG 4.18Å; A234-L238 PolarHBondContact O-N 2.83Å; A234-L238 VanDerWaalsContact O-N 3.1Å; D235-L238 CarbonylContact O-C 3.55Å; D235-L238 WeakPolarHBondContact O-CA 3.32Å; D235-L238 WeakPolarHBondContact O-CB 3.46Å; D235-L238 PolarHBondContact O-N 3.33Å; D235-L238 VanDerWaalsContact O-O 3.11Å; L238-V240 PolarHBondContact O-N 3.21Å
239	N	38.2	Very low	68.3	Low	83 Å²	83	62.4 Å²	62.4	44%	0.444	33%	0.325	S	S	.	.			trans	-64	89.9	160.2	-148.2	-1.7	0	0	0	104.9	N236 N237 K241 A242	N236-N239 WeakPolarHBondContact O-CB 3.32Å; N236-N239 PolarHBondContact O-N 2.91Å; N237-N239 PolarHBondContact O-N 2.85Å; N237-N239 VanDerWaalsContact O-N 3.14Å; N239-K241 PolarHBondContact O-N 3.01Å; N239-K241 VanDerWaalsContact OD1-CB 3.31Å; N239-K241 WeakPolarHBondContact OD1-CB 3.44Å; N239-A242 HydrophobicContact CB-CB 4Å; N239-A242 PolarHBondContact O-N 3.37Å
240	V	42.5	Very low	68.9	Low	134 Å²	134	62.9 Å²	62.9	81%	0.812	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.4	-16	167.8	177.3	0	0	0	0	109.4	L238	L238-V240 PolarHBondContact O-N 3.21Å
241	K	47	Very low	69.2	Low	182 Å²	182	64.8 Å²	64.8	79%	0.791	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.4	-26.8	172.6	-53.4	-173.5	174.4	-176.8	0	115.3	N239 P243	N239-K241 PolarHBondContact O-N 3.01Å; N239-K241 VanDerWaalsContact OD1-CB 3.31Å; N239-K241 WeakPolarHBondContact OD1-CB 3.44Å; K241-P243 VanDerWaalsContact O-CD 3.29Å; K241-P243 WeakPolarHBondContact O-CD 3.34Å
242	A	61.2	Low	69.6	Low	56 Å²	56	61.2 Å²	61.2	46%	0.463	32%	0.318	S	S	.	.	S	Bend	trans	-76.1	118.4	177.8	0	0	0	0	0	108.3	N239 W244	N239-A242 HydrophobicContact CB-CB 4Å; N239-A242 PolarHBondContact O-N 3.37Å; A242-W244 PolarHBondContact O-N 2.8Å
243	P	72.9	Confident	69.8	Low	41 Å²	41	62.5 Å²	62.5	27%	0.266	32%	0.324	S	S	.	.	P	Polyproline II helix	trans	-59.6	131.2	-178.8	-23.2	35	0	0	0	110	K241	K241-P243 VanDerWaalsContact O-CD 3.29Å; K241-P243 WeakPolarHBondContact O-CD 3.34Å
244	W	82.2	Confident	70.5	Confident	141 Å²	141	64 Å²	64	53%	0.534	33%	0.334	S	S	.	.	P	Polyproline II helix	trans	-60.9	141.9	170	174.8	86.3	0	0	0	109.5	A242 P246 E251 N254	A242-W244 PolarHBondContact O-N 2.8Å; W244-P246 HydrophobicContact CH2-CB 4.16Å; W244-E251 HydrophobicContact CH2-CB 4.42Å; W244-E251 HydrophobicContact CZ2-CB 4.27Å; W244-N254 HydrophobicContact CH2-CB 4.13Å
245	F	88.9	Confident	71.5	Confident	24 Å²	24	63.8 Å²	63.8	11%	0.105	33%	0.332	C	S	.	.			trans	-142.2	151.4	173.2	63.4	-91.1	0	0	0	110	K247 L435 F534 V547	F245-K247 HydrophobicContact CE2-CG 4.3Å; F245-L435 HydrophobicContact CB-CB 4.41Å; F245-L435 HydrophobicContact CB-CD2 4.16Å; F245-L435 HydrophobicContact CD2-CB 3.78Å; F245-L435 HydrophobicContact CD2-CD1 4.28Å; F245-L435 HydrophobicContact CD2-CD2 4.23Å; F245-L435 HydrophobicContact CD2-CG 4.32Å; F245-L435 HydrophobicContact CE2-CB 4.18Å; F245-L435 HydrophobicContact CG-CB 4.08Å; F245-F534 HydrophobicContact CE1-CE2 4.03Å; F245-F534 AromaticContact CE1-CZ 3.6Å; F245-F534 HydrophobicContact CE1-CZ 3.6Å; F245-F534 AromaticContact CZ-CE2 3.89Å; F245-F534 HydrophobicContact CZ-CE2 3.89Å; F245-F534 AromaticContact CZ-CZ 3.91Å; F245-F534 HydrophobicContact CZ-CZ 3.91Å; F245-V547 HydrophobicContact CE2-CG2 4.22Å; F245-V547 HydrophobicContact CZ-CG2 3.79Å
246	P	91.5	Very high	72.8	Confident	2 Å²	2	62.9 Å²	62.9	1%	0.013	33%	0.327	C	S	.	.			trans	-64	137.2	179.4	25.9	-36	0	0	0	111.7	W244 E251 L252 A380 F384 L435	W244-P246 HydrophobicContact CH2-CB 4.16Å; P246-E251 WeakPolarHBondContact CA-OE2 3.4Å; P246-E251 HydrophobicContact CB-CB 3.77Å; P246-L252 HydrophobicContact CB-CD2 4.17Å; P246-L252 HydrophobicContact CG-CD2 3.8Å; P246-A380 HydrophobicContact CG-CB 4.04Å; P246-F384 HydrophobicContact CB-CE2 4.05Å; P246-F384 HydrophobicContact CB-CZ 4.11Å; P246-F384 HydrophobicContact CG-CE2 3.8Å; P246-F384 HydrophobicContact CG-CZ 4.29Å; P246-F384 WeakPolarHBondContact O-CZ 3.41Å; P246-L435 HydrophobicContact CG-CD2 4.49Å
247	K	88.7	Confident	74	Confident	94 Å²	94	58.1 Å²	58.1	41%	0.409	30%	0.3	S	S	.	.	S	Bend	trans	-106	-8.1	175.2	-64.7	-171.2	178.6	-171.2	0	113.8	F245 E251 R544 V545	F245-K247 HydrophobicContact CE2-CG 4.3Å; K247-E251 PolarHBondContact N-OE2 2.67Å; K247-R544 WeakPolarHBondContact O-CA 3.32Å; K247-V545 PolarHBondContact O-N 2.82Å
248	H	92.5	Very high	75.7	Confident	33 Å²	33	55.6 Å²	55.6	15%	0.153	29%	0.286	C	S	.	.	B	Isolated β-bridge	trans	-145	149.2	175.6	-178.9	-102.7	0	0	0	109.1	S250 E251 Y294 F384 T542 E543 R544	H248-S250 VanDerWaalsContact ND1-CB 3.31Å; H248-S250 WeakPolarHBondContact ND1-CB 3.45Å; H248-S250 PolarHBondContact ND1-N 2.76Å; H248-S250 VanDerWaalsContact ND1-N 3.14Å; H248-S250 PolarHBondContact ND1-OG 3.36Å; H248-S250 PolarHBondContact O-N 2.9Å; H248-S250 VanDerWaalsContact O-N 3.11Å; H248-E251 HydrophobicContact CB-CG 4.48Å; H248-E251 VanDerWaalsContact O-CB 3.31Å; H248-E251 WeakPolarHBondContact O-CB 3.08Å; H248-E251 PolarHBondContact O-N 2.82Å; H248-Y294 AromaticContact CE1-CE1 3.97Å; H248-F384 VanDerWaalsContact C-CE1 3.43Å; H248-T542 PolarHBondContact CD2-O 3.25Å; H248-T542 PolarHBondContact NE2-O 2.81Å; H248-E543 PolarHBondContact CD2-O 2.86Å; H248-R544 HydrophobicContact CB-CG 4.4Å
249	A	91.4	Very high	77.4	Confident	0 Å²	0	56.8 Å²	56.8	0%	0	29%	0.291	C	S	.	.	G	3₁₀ helix	trans	-55.2	-32.5	-178.3	0	0	0	0	0	113.4	E251 L252 Y294 F384 I386 E543	A249-E251 PolarHBondContact O-N 3.34Å; A249-L252 VanDerWaalsContact O-CB 3.26Å; A249-L252 WeakPolarHBondContact O-CB 3.43Å; A249-L252 VanDerWaalsContact O-CG 3.31Å; A249-L252 WeakPolarHBondContact O-CG 3.34Å; A249-L252 PolarHBondContact O-N 2.97Å; A249-L252 VanDerWaalsContact O-N 3.12Å; A249-Y294 HydrophobicContact CB-CD2 3.84Å; A249-Y294 HydrophobicContact CB-CE2 3.36Å; A249-F384 HydrophobicContact CB-CB 4.36Å; A249-F384 HydrophobicContact CB-CD1 3.94Å; A249-F384 HydrophobicContact CB-CG 4.28Å; A249-I386 HydrophobicContact CB-CD1 3.69Å; A249-E543 HydrophobicContact CB-CB 4.3Å; A249-E543 PolarHBondContact N-O 2.84Å
250	S	91.4	Very high	79	Confident	46 Å²	46	55.4 Å²	55.4	32%	0.322	29%	0.286	S	S	.	.	G	3₁₀ helix	trans	-63.8	-21.6	174.6	73.3	0	0	0	0	114.3	H248 L252 D253 Y294	H248-S250 VanDerWaalsContact ND1-CB 3.31Å; H248-S250 WeakPolarHBondContact ND1-CB 3.45Å; H248-S250 PolarHBondContact ND1-N 2.76Å; H248-S250 VanDerWaalsContact ND1-N 3.14Å; H248-S250 PolarHBondContact ND1-OG 3.36Å; H248-S250 PolarHBondContact O-N 2.9Å; H248-S250 VanDerWaalsContact O-N 3.11Å; S250-L252 PolarHBondContact O-N 3.41Å; S250-D253 PolarHBondContact O-N 2.84Å; S250-Y294 VanDerWaalsContact CB-CD1 3.48Å
251	E	90.6	Very high	80.4	Confident	49 Å²	49	54.5 Å²	54.5	23%	0.229	27%	0.271	C	S	.	.	G	3₁₀ helix	trans	-76.5	-12.7	177.8	-62.8	177.1	-162.3	0	0	112.2	W244 P246 K247 H248 A249 D253 N254	W244-E251 HydrophobicContact CH2-CB 4.42Å; W244-E251 HydrophobicContact CZ2-CB 4.27Å; P246-E251 WeakPolarHBondContact CA-OE2 3.4Å; P246-E251 HydrophobicContact CB-CB 3.77Å; K247-E251 PolarHBondContact N-OE2 2.67Å; H248-E251 HydrophobicContact CB-CG 4.48Å; H248-E251 VanDerWaalsContact O-CB 3.31Å; H248-E251 WeakPolarHBondContact O-CB 3.08Å; H248-E251 PolarHBondContact O-N 2.82Å; A249-E251 PolarHBondContact O-N 3.34Å; E251-D253 PolarHBondContact O-N 2.91Å; E251-N254 WeakPolarHBondContact O-CB 3.24Å; E251-N254 PolarHBondContact O-N 2.89Å; E251-N254 PolarHBondContact O-ND2 2.72Å; E251-N254 VanDerWaalsContact O-ND2 3.1Å
252	L	91	Very high	81.4	Confident	0 Å²	0	47.3 Å²	47.3	0%	0	24%	0.239	C	C	.	.	G	3₁₀ helix	trans	-64.1	-15.1	171.2	-61.1	177.3	0	0	0	112.7	P246 A249 S250 N254 C255 F384 I386	P246-L252 HydrophobicContact CB-CD2 4.17Å; P246-L252 HydrophobicContact CG-CD2 3.8Å; A249-L252 VanDerWaalsContact O-CB 3.26Å; A249-L252 WeakPolarHBondContact O-CB 3.43Å; A249-L252 VanDerWaalsContact O-CG 3.31Å; A249-L252 WeakPolarHBondContact O-CG 3.34Å; A249-L252 PolarHBondContact O-N 2.97Å; A249-L252 VanDerWaalsContact O-N 3.12Å; S250-L252 PolarHBondContact O-N 3.41Å; L252-N254 PolarHBondContact O-N 3.27Å; L252-N254 VanDerWaalsContact O-N 3.09Å; L252-C255 HydrophobicContact CD2-CB 4.33Å; L252-C255 PolarHBondContact O-N 3.05Å; L252-F384 HydrophobicContact CD1-CB 4.42Å; L252-F384 HydrophobicContact CD1-CD2 4.08Å; L252-F384 HydrophobicContact CD1-CG 4.39Å; L252-F384 HydrophobicContact CD2-CD2 4.13Å; L252-F384 HydrophobicContact CD2-CE2 4.23Å; L252-F384 HydrophobicContact CG-CD2 4.32Å; L252-I386 HydrophobicContact CD1-CB 4.01Å; L252-I386 HydrophobicContact CD1-CD1 3.56Å; L252-I386 HydrophobicContact CD1-CG1 4.35Å; L252-I386 HydrophobicContact CD1-CG2 4.1Å
253	D	88.6	Confident	82.1	Confident	31 Å²	31	46.7 Å²	46.7	17%	0.166	23%	0.227	C	C	.	.	G	3₁₀ helix	trans	-60.3	-14.1	166.5	-72.5	-19.7	0	0	0	113	S250 E251 N256 K293 Y294 R367	S250-D253 PolarHBondContact O-N 2.84Å; E251-D253 PolarHBondContact O-N 2.91Å; D253-N256 VanDerWaalsContact C-ND2 3.3Å; D253-N256 PolarHBondContact O-ND2 3.47Å; D253-K293 HydrophobicContact CB-CD 4.34Å; D253-K293 WeakPolarHBondContact OD1-CA 3.29Å; D253-Y294 PolarHBondContact OD1-N 2.86Å; D253-Y294 VanDerWaalsContact OD1-N 3.09Å; D253-Y294 PolarHBondContact OD2-N 3.32Å; D253-R367 IonicContact OD1-CZ 2.84Å; D253-R367 IonicContact OD1-NH1 3.71Å; D253-R367 PolarHBondContact OD1-NH1 3.01Å; D253-R367 IonicContact OD1-NH2 2.99Å; D253-R367 PolarHBondContact OD1-NH2 3.17Å
254	N	83.4	Confident	82.3	Confident	78 Å²	78	45.1 Å²	45.1	42%	0.417	22%	0.217	S	C	.	.	G	3₁₀ helix	trans	-99.7	-3.7	173.2	-51.7	-65.9	0	0	0	113.4	L33 W244 E251 L252 N256	L33-N254 HydrophobicContact CD1-CB 4.39Å; W244-N254 HydrophobicContact CH2-CB 4.13Å; E251-N254 WeakPolarHBondContact O-CB 3.24Å; E251-N254 PolarHBondContact O-N 2.89Å; E251-N254 PolarHBondContact O-ND2 2.72Å; E251-N254 VanDerWaalsContact O-ND2 3.1Å; L252-N254 PolarHBondContact O-N 3.27Å; L252-N254 VanDerWaalsContact O-N 3.09Å; N254-N256 PolarHBondContact O-N 3.11Å
255	C	83.1	Confident	82.1	Confident	1 Å²	1	40.2 Å²	40.2	1%	0.007	20%	0.201	C	C	.	.			trans	-100.8	63.3	-178.4	-67.7	0	0	0	0	111.1	L252 D377 Q388	L252-C255 HydrophobicContact CD2-CB 4.33Å; L252-C255 PolarHBondContact O-N 3.05Å; C255-D377 VanDerWaalsContact CA-CG 3.45Å; C255-D377 VanDerWaalsContact CA-OD2 3.28Å; C255-D377 WeakPolarHBondContact CA-OD2 3.31Å; C255-D377 HydrophobicContact CB-CB 3.87Å; C255-Q388 PolarHBondContact O-NE2 3.15Å
256	N	77.1	Confident	81.4	Confident	32 Å²	32	40 Å²	40	17%	0.171	20%	0.2	C	C	.	.			trans	-124.7	27.9	-175.4	-64	-79.4	0	0	0	113.3	D253 N254 L258 D377	D253-N256 VanDerWaalsContact C-ND2 3.3Å; D253-N256 PolarHBondContact O-ND2 3.47Å; N254-N256 PolarHBondContact O-N 3.11Å; N256-L258 PolarHBondContact O-N 3.36Å; N256-L258 VanDerWaalsContact O-N 3.16Å; N256-D377 PolarHBondContact N-OD2 3.09Å; N256-D377 VanDerWaalsContact N-OD2 3.1Å
257	H	72.1	Confident	80.6	Confident	42 Å²	42	41.5 Å²	41.5	19%	0.194	21%	0.209	C	C	.	.			trans	-72.6	108.2	178	-59.9	90.5	0	0	0	110	L373 T374 D377	H257-L373 CarbonylContact O-C 3.56Å; H257-L373 WeakPolarHBondContact O-CA 3.43Å; H257-T374 HydrophobicContact CB-CG2 3.72Å; H257-T374 PolarHBondContact O-N 3.44Å; H257-D377 WeakPolarHBondContact CB-OD2 3.47Å; H257-D377 IonicContact CE1-OD2 3.36Å; H257-D377 IonicContact CG-OD2 3.38Å; H257-D377 PolarHBondContact N-OD2 2.93Å; H257-D377 IonicContact ND1-OD1 3.16Å; H257-D377 IonicContact ND1-OD2 3.51Å; H257-D377 PolarHBondContact ND1-OD2 2.92Å
258	L	78.3	Confident	80.1	Confident	44 Å²	44	42.2 Å²	42.2	23%	0.23	22%	0.215	C	C	.	.	B	Isolated β-bridge	trans	-89.5	146.1	-178.2	-62.8	175.9	0	0	0	112.6	N256 F290 A370 L372 L373	N256-L258 PolarHBondContact O-N 3.36Å; N256-L258 VanDerWaalsContact O-N 3.16Å; L258-F290 HydrophobicContact CD1-CE1 3.97Å; L258-F290 HydrophobicContact CD1-CZ 3.51Å; L258-A370 HydrophobicContact CD1-CB 3.97Å; L258-L372 CarbonylContact C-O 3.6Å; L258-L372 VanDerWaalsContact CA-O 3.31Å; L258-L372 WeakPolarHBondContact CA-O 3.44Å; L258-L373 HydrophobicContact CD2-CD2 3.86Å; L258-L373 HydrophobicContact CD2-CG 4.28Å
259	M	72.8	Confident	79.5	Confident	80 Å²	80	47.6 Å²	47.6	39%	0.394	25%	0.245	S	C	.	.			trans	-89.4	117.8	168.8	-62.7	-70.9	79.3	0	0	109.6	K261 L372 T374	M259-K261 PolarHBondContact O-N 2.95Å; M259-K261 VanDerWaalsContact O-N 3.14Å; M259-L372 HydrophobicContact CB-CB 4.31Å; M259-L372 HydrophobicContact CB-CD2 4.1Å; M259-L372 HydrophobicContact CB-CG 4.24Å; M259-L372 HydrophobicContact CG-CD2 4.42Å; M259-L372 HydrophobicContact CG-CG 4.42Å; M259-L372 PolarHBondContact N-O 3.38Å; M259-T374 HydrophobicContact CE-CG2 3.51Å; M259-T374 HydrophobicContact SD-CG2 4.2Å
260	T	72.9	Confident	79.2	Confident	54 Å²	54	48 Å²	48	33%	0.331	25%	0.246	S	C	.	.	G	3₁₀ helix	trans	-78.6	7.4	-178.7	65.9	0	0	0	0	113.4	Y262	T260-Y262 VanDerWaalsContact C-N 3.34Å; T260-Y262 PolarHBondContact O-N 3.1Å
261	K	70.1	Confident	78.9	Confident	115 Å²	115	48.1 Å²	48.1	50%	0.5	25%	0.246	S	C	.	.	G	3₁₀ helix	trans	-63.1	-38.3	-171.7	179.4	176.9	169	-166.7	0	112.2	M259 D503	M259-K261 PolarHBondContact O-N 2.95Å; M259-K261 VanDerWaalsContact O-N 3.14Å; K261-D503 IonicContact NZ-OD1 3.63Å; K261-D503 PolarHBondContact NZ-OD1 2.98Å; K261-D503 IonicContact NZ-OD2 3.06Å; K261-D503 PolarHBondContact NZ-OD2 3.1Å
262	Y	68.5	Low	78.7	Confident	30 Å²	30	45.8 Å²	45.8	12%	0.118	24%	0.236	C	C	.	.	G	3₁₀ helix	trans	-112.2	13	-172.6	-51.4	-77.5	0	0	0	113.3	T260 P264 L372 P403 E404 D503	T260-Y262 VanDerWaalsContact C-N 3.34Å; T260-Y262 PolarHBondContact O-N 3.1Å; Y262-P264 VanDerWaalsContact O-CD 3.29Å; Y262-P264 WeakPolarHBondContact O-CD 3.44Å; Y262-L372 HydrophobicContact CD2-CD2 3.65Å; Y262-L372 HydrophobicContact CE2-CD2 3.39Å; Y262-P403 HydrophobicContact CD1-CB 4.06Å; Y262-P403 VanDerWaalsContact CD1-O 3.27Å; Y262-P403 WeakPolarHBondContact CD1-O 3.32Å; Y262-P403 WeakPolarHBondContact CE1-O 3.27Å; Y262-E404 WeakPolarHBondContact CB-OE2 3.47Å; Y262-E404 HydrophobicContact CD1-CB 4.47Å; Y262-E404 HydrophobicContact CD2-CB 4.11Å; Y262-E404 HydrophobicContact CG-CB 3.85Å; Y262-D503 PolarHBondContact OH-OD2 3.31Å
263	E	77	Confident	78.4	Confident	43 Å²	43	46.3 Å²	46.3	20%	0.201	24%	0.238	C	C	.	.			trans	-61.2	123.8	175.9	-78.3	-172	-166.1	0	0	109.8	D265 L266 D267	E263-D265 PolarHBondContact O-N 3.41Å; E263-L266 HydrophobicContact CB-CB 4.14Å; E263-L266 HydrophobicContact CB-CD1 4.11Å; E263-L266 HydrophobicContact CB-CG 4.08Å; E263-L266 HydrophobicContact CG-CD1 4.5Å; E263-L266 PolarHBondContact O-N 2.84Å; E263-L266 WeakPolarHBondContact OE2-CD1 3.27Å; E263-D267 PolarHBondContact O-N 3.42Å
264	P	76.5	Confident	78.3	Confident	9 Å²	9	46.4 Å²	46.4	6%	0.058	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.1	-22	179.1	-25.1	33.2	0	0	0	113.3	Y262 F273 Y278 R279 R282	Y262-P264 VanDerWaalsContact O-CD 3.29Å; Y262-P264 WeakPolarHBondContact O-CD 3.44Å; P264-F273 WeakPolarHBondContact O-CD2 3.47Å; P264-Y278 HydrophobicContact CB-CE1 4.47Å; P264-Y278 HydrophobicContact CG-CE1 4.05Å; P264-R279 HydrophobicContact CB-CG 3.99Å; P264-R282 HydrophobicContact CG-CG 4.3Å
265	D	77	Confident	78.6	Confident	37 Å²	37	45.2 Å²	45.2	20%	0.198	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.6	-27.4	174.2	-95.2	-18.8	0	0	0	112.8	K45 R56 E263 R279	K45-D265 IonicContact NZ-OD2 3.1Å; K45-D265 PolarHBondContact NZ-OD2 3.41Å; R56-D265 IonicContact CZ-OD1 2.67Å; R56-D265 PolarHBondContact NH2-O 3.07Å; R56-D265 IonicContact NH2-OD1 3.67Å; R56-D265 PolarHBondContact NH2-OD1 2.89Å; R56-D265 VanDerWaalsContact NH2-OD1 3.12Å; E263-D265 PolarHBondContact O-N 3.41Å; D265-R279 WeakPolarHBondContact OD1-CD 3.22Å; D265-R279 IonicContact OD1-CZ 2.62Å; D265-R279 IonicContact OD1-NE 3.47Å; D265-R279 IonicContact OD1-NH1 2.98Å; D265-R279 PolarHBondContact OD1-NH1 3.18Å
266	L	74	Confident	78.9	Confident	19 Å²	19	51.5 Å²	51.5	10%	0.099	26%	0.264	C	S	.	.	T	Hydrogen-bonded Turn	trans	-114.2	-16.6	-167.2	-59.5	-179.9	0	0	0	113.9	L52 E263	L52-L266 HydrophobicContact CD1-CD2 3.99Å; E263-L266 HydrophobicContact CB-CB 4.14Å; E263-L266 HydrophobicContact CB-CD1 4.11Å; E263-L266 HydrophobicContact CB-CG 4.08Å; E263-L266 HydrophobicContact CG-CD1 4.5Å; E263-L266 PolarHBondContact O-N 2.84Å; E263-L266 WeakPolarHBondContact OE2-CD1 3.27Å
267	D	76.6	Confident	79.6	Confident	35 Å²	35	55.4 Å²	55.4	19%	0.187	29%	0.289	C	S	.	.			trans	-107.1	112.4	178.9	-179.6	14.6	0	0	0	111.8	E263 N269 H270 F273	E263-D267 PolarHBondContact O-N 3.42Å; D267-N269 PolarHBondContact O-N 2.72Å; D267-N269 WeakPolarHBondContact OD1-CB 3.47Å; D267-N269 PolarHBondContact OD1-N 3.19Å; D267-H270 HydrophobicContact CB-CB 4.04Å; D267-H270 VanDerWaalsContact O-CB 3.31Å; D267-H270 WeakPolarHBondContact O-CB 3.38Å; D267-H270 PolarHBondContact O-N 2.82Å; D267-F273 WeakPolarHBondContact O-CB 3.43Å; D267-F273 WeakPolarHBondContact O-CD2 3.39Å
268	M	77.9	Confident	80.5	Confident	109 Å²	109	54.8 Å²	54.8	54%	0.537	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.7	-22.5	178	-69.6	-178.2	60.6	0	0	113.5	L52 A55 H270 F273	L52-M268 HydrophobicContact CD2-CG 3.92Å; L52-M268 HydrophobicContact CD2-SD 4.36Å; A55-M268 HydrophobicContact CB-CE 3.86Å; A55-M268 HydrophobicContact CB-SD 4.26Å; M268-H270 VanDerWaalsContact C-N 3.34Å; M268-F273 HydrophobicContact CG-CE1 4.07Å; M268-F273 HydrophobicContact CG-CE2 4.05Å; M268-F273 HydrophobicContact CG-CZ 3.75Å
269	N	80.1	Confident	81	Confident	145 Å²	145	54.6 Å²	54.6	78%	0.775	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.9	-7.7	178.6	-61.2	-36.3	0	0	0	112.2	D267	D267-N269 PolarHBondContact O-N 2.72Å; D267-N269 WeakPolarHBondContact OD1-CB 3.47Å; D267-N269 PolarHBondContact OD1-N 3.19Å
270	H	83.7	Confident	81.9	Confident	8 Å²	8	55.2 Å²	55.2	4%	0.037	28%	0.283	C	S	.	.	S	Bend	trans	-67.2	130.6	178.9	-171.1	-74.2	0	0	0	109.8	D267 M268 G272 F273 Y278 E404	D267-H270 HydrophobicContact CB-CB 4.04Å; D267-H270 VanDerWaalsContact O-CB 3.31Å; D267-H270 WeakPolarHBondContact O-CB 3.38Å; D267-H270 PolarHBondContact O-N 2.82Å; M268-H270 VanDerWaalsContact C-N 3.34Å; H270-G272 PolarHBondContact ND1-N 3.24Å; H270-G272 PolarHBondContact O-N 3.17Å; H270-F273 VanDerWaalsContact O-CB 3.24Å; H270-F273 WeakPolarHBondContact O-CB 3.42Å; H270-F273 PolarHBondContact O-N 3.34Å; H270-Y278 AromaticContact CE1-CE1 3.58Å; H270-E404 IonicContact NE2-OE1 3.29Å
271	P	84.8	Confident	82.9	Confident	50 Å²	50	55.3 Å²	55.3	33%	0.325	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.4	-34.2	-177.6	-28.8	35	0	0	0	114.1	H395	P271-H395 HydrophobicContact CB-CB 3.8Å
272	G	86.3	Confident	83.9	Confident	0 Å²	0	50.9 Å²	50.9	0%	0	26%	0.257	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.5	8.4	175.3	0	0	0	0	0	116.6	H270 A274 D275 R279	H270-G272 PolarHBondContact ND1-N 3.24Å; H270-G272 PolarHBondContact O-N 3.17Å; G272-A274 PolarHBondContact O-N 3.3Å; G272-D275 PolarHBondContact O-N 3.42Å; G272-R279 WeakPolarHBondContact O-CG 3.29Å
273	F	85.5	Confident	84.8	Confident	11 Å²	11	54.8 Å²	54.8	5%	0.048	28%	0.275	C	S	.	.	S	Bend	trans	-59.5	-46.8	-176.1	177.6	-105	0	0	0	112.4	L52 R56 P264 D267 M268 H270 R279	L52-F273 HydrophobicContact CD2-CE2 4.01Å; L52-F273 HydrophobicContact CD2-CZ 4.05Å; R56-F273 HydrophobicContact CG-CD1 4.43Å; R56-F273 HydrophobicContact CG-CE1 3.64Å; R56-F273 HydrophobicContact CG-CE2 4.24Å; R56-F273 HydrophobicContact CG-CZ 3.53Å; P264-F273 WeakPolarHBondContact O-CD2 3.47Å; D267-F273 WeakPolarHBondContact O-CB 3.43Å; D267-F273 WeakPolarHBondContact O-CD2 3.39Å; M268-F273 HydrophobicContact CG-CE1 4.07Å; M268-F273 HydrophobicContact CG-CE2 4.05Å; M268-F273 HydrophobicContact CG-CZ 3.75Å; H270-F273 VanDerWaalsContact O-CB 3.24Å; H270-F273 WeakPolarHBondContact O-CB 3.42Å; H270-F273 PolarHBondContact O-N 3.34Å; F273-R279 PolarHBondContact O-NE 2.92Å; F273-R279 VanDerWaalsContact O-NE 3.14Å
274	A	86.4	Confident	85.5	Confident	33 Å²	33	56.5 Å²	56.5	27%	0.273	28%	0.283	S	S	.	.	S	Bend	trans	-81.5	-23.5	177.8	0	0	0	0	0	112.8	A59 N60 G272 K276	A59-A274 HydrophobicContact CB-CB 4.24Å; N60-A274 PolarHBondContact OD1-O 2.99Å; G272-A274 PolarHBondContact O-N 3.3Å; A274-K276 PolarHBondContact O-N 3.2Å; A274-K276 VanDerWaalsContact O-N 3.16Å
275	D	89.4	Confident	86.3	Confident	53 Å²	53	56.2 Å²	56.2	28%	0.283	28%	0.281	S	S	.	.			trans	-77.6	102.5	-176.6	-172.4	-19.4	0	0	0	112.1	G272 V277 Y278 R279 H395	G272-D275 PolarHBondContact O-N 3.42Å; D275-V277 VanDerWaalsContact C-N 3.33Å; D275-V277 PolarHBondContact O-N 3.04Å; D275-V277 WeakPolarHBondContact OD1-CA 3.5Å; D275-V277 WeakPolarHBondContact OD1-CB 3.31Å; D275-V277 PolarHBondContact OD1-N 2.96Å; D275-Y278 VanDerWaalsContact CG-CB 3.49Å; D275-Y278 PolarHBondContact OD1-N 3.18Å; D275-R279 WeakPolarHBondContact O-CG 3.32Å; D275-R279 PolarHBondContact O-N 3.41Å; D275-H395 IonicContact OD2-NE2 2.7Å; D275-H395 PolarHBondContact OD2-NE2 3.08Å
276	K	90.4	Very high	86.8	Confident	132 Å²	132	55.3 Å²	55.3	57%	0.574	28%	0.278	S	S	*	.	H	α-helix	trans	-64.1	-35	177.8	-67.7	176.4	-176.4	171.5	0	112.9	A274 Q280	A274-K276 PolarHBondContact O-N 3.2Å; A274-K276 VanDerWaalsContact O-N 3.16Å; K276-Q280 WeakPolarHBondContact O-CB 3.28Å; K276-Q280 PolarHBondContact O-N 3.1Å
277	V	92.2	Very high	87.5	Confident	115 Å²	115	59.2 Å²	59.2	70%	0.697	30%	0.296	S	S	*	.	H	α-helix	trans	-69.8	-46.4	-178.8	179.1	0	0	0	0	109.1	D275 R279 Q280 R281	D275-V277 VanDerWaalsContact C-N 3.33Å; D275-V277 PolarHBondContact O-N 3.04Å; D275-V277 WeakPolarHBondContact OD1-CA 3.5Å; D275-V277 WeakPolarHBondContact OD1-CB 3.31Å; D275-V277 PolarHBondContact OD1-N 2.96Å; V277-R279 PolarHBondContact O-N 2.93Å; V277-Q280 PolarHBondContact O-N 2.89Å; V277-R281 WeakPolarHBondContact O-CB 3.34Å; V277-R281 PolarHBondContact O-N 3.05Å
278	Y	91.2	Very high	88.1	Confident	28 Å²	28	60 Å²	60	11%	0.11	30%	0.3	C	S	.	.	H	α-helix	trans	-59.2	-46	175.3	-176.5	-95.7	0	0	0	112.3	P264 H270 D275 Q280 R281 R282 V393 H395	P264-Y278 HydrophobicContact CB-CE1 4.47Å; P264-Y278 HydrophobicContact CG-CE1 4.05Å; H270-Y278 AromaticContact CE1-CE1 3.58Å; D275-Y278 VanDerWaalsContact CG-CB 3.49Å; D275-Y278 PolarHBondContact OD1-N 3.18Å; Y278-Q280 VanDerWaalsContact C-N 3.35Å; Y278-Q280 PolarHBondContact O-N 3.27Å; Y278-R281 WeakPolarHBondContact O-CB 3.4Å; Y278-R281 PolarHBondContact O-N 3.36Å; Y278-R282 HydrophobicContact CD1-CG 3.99Å; Y278-R282 HydrophobicContact CE1-CG 3.52Å; Y278-R282 WeakPolarHBondContact O-CG 3.26Å; Y278-R282 PolarHBondContact O-N 3.43Å; Y278-R282 PolarHBondContact OH-NH1 3.31Å; Y278-V393 VanDerWaalsContact CE2-O 3.3Å; Y278-V393 WeakPolarHBondContact CE2-O 3.41Å; Y278-V393 PolarHBondContact OH-O 3.17Å; Y278-H395 AromaticContact CD2-CD2 3.72Å; Y278-H395 HydrophobicContact CE2-CB 4.28Å; Y278-H395 AromaticContact CG-CD2 3.73Å
279	R	88.8	Confident	88.7	Confident	40 Å²	40	54.9 Å²	54.9	15%	0.151	28%	0.275	C	S	.	.	H	α-helix	trans	-63.6	-39.8	178.5	-69.6	-168.6	-65	111.5	2.7	112.8	P264 D265 G272 F273 D275 V277 R282 K283	P264-R279 HydrophobicContact CB-CG 3.99Å; D265-R279 WeakPolarHBondContact OD1-CD 3.22Å; D265-R279 IonicContact OD1-CZ 2.62Å; D265-R279 IonicContact OD1-NE 3.47Å; D265-R279 IonicContact OD1-NH1 2.98Å; D265-R279 PolarHBondContact OD1-NH1 3.18Å; G272-R279 WeakPolarHBondContact O-CG 3.29Å; F273-R279 PolarHBondContact O-NE 2.92Å; F273-R279 VanDerWaalsContact O-NE 3.14Å; D275-R279 WeakPolarHBondContact O-CG 3.32Å; D275-R279 PolarHBondContact O-N 3.41Å; V277-R279 PolarHBondContact O-N 2.93Å; R279-R282 PolarHBondContact O-N 3.36Å; R279-K283 PolarHBondContact O-N 2.9Å
280	Q	90.5	Very high	89	Confident	93 Å²	93	52.3 Å²	52.3	44%	0.435	26%	0.257	S	S	.	.	H	α-helix	trans	-64.4	-43.8	175.8	-178.2	53	42.7	0	0	111	K276 V277 Y278 R282 K283 E284	K276-Q280 WeakPolarHBondContact O-CB 3.28Å; K276-Q280 PolarHBondContact O-N 3.1Å; V277-Q280 PolarHBondContact O-N 2.89Å; Y278-Q280 VanDerWaalsContact C-N 3.35Å; Y278-Q280 PolarHBondContact O-N 3.27Å; Q280-R282 PolarHBondContact O-N 2.91Å; Q280-K283 WeakPolarHBondContact O-CB 3.47Å; Q280-K283 PolarHBondContact O-N 3.07Å; Q280-E284 WeakPolarHBondContact CG-OE1 3.45Å; Q280-E284 PolarHBondContact NE2-OE1 3.23Å; Q280-E284 WeakPolarHBondContact O-CG 3.25Å; Q280-E284 PolarHBondContact O-N 3.13Å
281	R	93.9	Very high	89.2	Confident	57 Å²	57	55.4 Å²	55.4	22%	0.215	28%	0.284	C	S	.	.	H	α-helix	trans	-59.5	-43.4	174.2	-179.6	55.2	171.1	-179.2	-5.8	112.6	V277 Y278 K283 E284 I285 D302 E307	V277-R281 WeakPolarHBondContact O-CB 3.34Å; V277-R281 PolarHBondContact O-N 3.05Å; Y278-R281 WeakPolarHBondContact O-CB 3.4Å; Y278-R281 PolarHBondContact O-N 3.36Å; R281-K283 VanDerWaalsContact C-N 3.33Å; R281-K283 PolarHBondContact O-N 3.15Å; R281-E284 PolarHBondContact O-N 3.43Å; R281-I285 HydrophobicContact CG-CD1 4.33Å; R281-I285 WeakPolarHBondContact O-CG1 3.38Å; R281-I285 PolarHBondContact O-N 3.44Å; R281-I285 VanDerWaalsContact O-N 3.17Å; R281-D302 PolarHBondContact NH2-O 2.65Å; R281-E307 IonicContact CZ-OE1 2.67Å; R281-E307 IonicContact CZ-OE2 3.52Å; R281-E307 IonicContact NE-OE1 3.43Å; R281-E307 PolarHBondContact NE-OE1 3.37Å; R281-E307 IonicContact NE-OE2 3.51Å; R281-E307 IonicContact NH2-OE1 3.37Å; R281-E307 IonicContact NH2-OE2 2.7Å; R281-E307 PolarHBondContact NH2-OE2 2.64Å
282	R	91.2	Very high	89.5	Confident	21 Å²	21	53.9 Å²	53.9	8%	0.079	27%	0.272	C	S	.	.	H	α-helix	trans	-59.3	-42.3	174.2	-75.6	-69.7	-63.3	-86.7	1.1	112.4	P264 Y278 R279 Q280 I285 A286 Y392 E404	P264-R282 HydrophobicContact CG-CG 4.3Å; Y278-R282 HydrophobicContact CD1-CG 3.99Å; Y278-R282 HydrophobicContact CE1-CG 3.52Å; Y278-R282 WeakPolarHBondContact O-CG 3.26Å; Y278-R282 PolarHBondContact O-N 3.43Å; Y278-R282 PolarHBondContact OH-NH1 3.31Å; R279-R282 PolarHBondContact O-N 3.36Å; Q280-R282 PolarHBondContact O-N 2.91Å; R282-I285 PolarHBondContact O-N 3.09Å; R282-A286 WeakPolarHBondContact O-CB 3.42Å; R282-A286 PolarHBondContact O-N 3.33Å; R282-Y392 VanDerWaalsContact NE-CD1 3.3Å; R282-Y392 VanDerWaalsContact NE-CG 3.26Å; R282-E404 IonicContact CZ-OE1 3.33Å; R282-E404 IonicContact NH1-OE1 2.7Å; R282-E404 PolarHBondContact NH1-OE1 2.68Å; R282-E404 VanDerWaalsContact NH2-CD 3.32Å; R282-E404 IonicContact NH2-OE1 3.94Å; R282-E404 PolarHBondContact NH2-OE1 2.92Å; R282-E404 IonicContact NH2-OE2 2.92Å; R282-E404 PolarHBondContact NH2-OE2 2.62Å
283	K	88.3	Confident	89.8	Confident	113 Å²	113	58 Å²	58	49%	0.491	29%	0.29	S	S	.	.	H	α-helix	trans	-64.7	-44.4	178.8	-171	-174.6	178.3	-148.5	0	112	R279 Q280 R281 I285 A286 E287	R279-K283 PolarHBondContact O-N 2.9Å; Q280-K283 WeakPolarHBondContact O-CB 3.47Å; Q280-K283 PolarHBondContact O-N 3.07Å; R281-K283 VanDerWaalsContact C-N 3.33Å; R281-K283 PolarHBondContact O-N 3.15Å; K283-I285 VanDerWaalsContact C-N 3.34Å; K283-I285 PolarHBondContact O-N 2.91Å; K283-A286 PolarHBondContact O-N 3.32Å; K283-E287 WeakPolarHBondContact CE-OE1 3.49Å; K283-E287 IonicContact NZ-OE1 3.33Å; K283-E287 WeakPolarHBondContact O-CG 3.5Å; K283-E287 PolarHBondContact O-N 3.19Å
284	E	91.3	Very high	90.1	Very high	79 Å²	79	60.4 Å²	60.4	37%	0.369	30%	0.299	S	S	.	.	H	α-helix	trans	-58.3	-46.6	177	-72.5	163.4	-164.9	0	0	111.6	Q280 R281 E287 I288	Q280-E284 WeakPolarHBondContact CG-OE1 3.45Å; Q280-E284 PolarHBondContact NE2-OE1 3.23Å; Q280-E284 WeakPolarHBondContact O-CG 3.25Å; Q280-E284 PolarHBondContact O-N 3.13Å; R281-E284 PolarHBondContact O-N 3.43Å; E284-E287 PolarHBondContact O-N 3Å; E284-I288 WeakPolarHBondContact O-CG1 3.46Å; E284-I288 PolarHBondContact O-N 2.9Å; E284-I288 VanDerWaalsContact O-N 3.17Å
285	I	92.7	Very high	90.4	Very high	2 Å²	2	62 Å²	62	1%	0.01	32%	0.318	C	S	.	.	H	α-helix	trans	-66.5	-40.1	178.1	-66.5	175.1	0	0	0	111.6	R281 R282 K283 I288 A289 Q391	R281-I285 HydrophobicContact CG-CD1 4.33Å; R281-I285 WeakPolarHBondContact O-CG1 3.38Å; R281-I285 PolarHBondContact O-N 3.44Å; R281-I285 VanDerWaalsContact O-N 3.17Å; R282-I285 PolarHBondContact O-N 3.09Å; K283-I285 VanDerWaalsContact C-N 3.34Å; K283-I285 PolarHBondContact O-N 2.91Å; I285-I288 WeakPolarHBondContact O-CB 3.09Å; I285-I288 PolarHBondContact O-N 2.82Å; I285-A289 PolarHBondContact O-N 3.46Å; I285-A289 VanDerWaalsContact O-N 3.1Å; I285-Q391 HydrophobicContact CG2-CB 3.61Å
286	A	87.7	Confident	90.6	Very high	18 Å²	18	63.2 Å²	63.2	15%	0.149	33%	0.325	C	S	.	.	H	α-helix	trans	-63.1	-41.1	175.9	0	0	0	0	0	111.9	R282 K283 I288 A289 F290 A370	R282-A286 WeakPolarHBondContact O-CB 3.42Å; R282-A286 PolarHBondContact O-N 3.33Å; K283-A286 PolarHBondContact O-N 3.32Å; A286-I288 VanDerWaalsContact C-N 3.31Å; A286-I288 PolarHBondContact O-N 3.36Å; A286-A289 PolarHBondContact O-N 2.82Å; A286-F290 HydrophobicContact CB-CE2 4.3Å; A286-F290 WeakPolarHBondContact O-CD2 3.33Å; A286-F290 PolarHBondContact O-N 3.48Å; A286-A370 HydrophobicContact CB-CB 4.12Å
287	E	87.6	Confident	90.9	Very high	102 Å²	102	61.8 Å²	61.8	48%	0.477	33%	0.329	S	S	.	.	H	α-helix	trans	-60.8	-39.5	176	-75.4	175.1	-176.8	0	0	111.9	K283 E284 F290 A291	K283-E287 WeakPolarHBondContact CE-OE1 3.49Å; K283-E287 IonicContact NZ-OE1 3.33Å; K283-E287 WeakPolarHBondContact O-CG 3.5Å; K283-E287 PolarHBondContact O-N 3.19Å; E284-E287 PolarHBondContact O-N 3Å; E287-F290 PolarHBondContact O-N 3.38Å; E287-A291 WeakPolarHBondContact O-CB 3.29Å; E287-A291 PolarHBondContact O-N 3.04Å
288	I	90.1	Very high	91.1	Very high	50 Å²	50	56.9 Å²	56.9	26%	0.256	30%	0.299	S	S	.	.	H	α-helix	trans	-60.2	-46.9	173.1	-68.2	169.9	0	0	0	110.9	E284 I285 A286 A291 Y292 P299 I301	E284-I288 WeakPolarHBondContact O-CG1 3.46Å; E284-I288 PolarHBondContact O-N 2.9Å; E284-I288 VanDerWaalsContact O-N 3.17Å; I285-I288 WeakPolarHBondContact O-CB 3.09Å; I285-I288 PolarHBondContact O-N 2.82Å; A286-I288 VanDerWaalsContact C-N 3.31Å; A286-I288 PolarHBondContact O-N 3.36Å; I288-A291 PolarHBondContact O-N 2.65Å; I288-Y292 PolarHBondContact O-N 3.44Å; I288-P299 HydrophobicContact CG2-CB 3.45Å; I288-P299 VanDerWaalsContact CG2-CB 3.45Å; I288-P299 HydrophobicContact CG2-CG 3.62Å; I288-I301 HydrophobicContact CD1-CD1 3.48Å; I288-I301 VanDerWaalsContact CD1-CD1 3.48Å; I288-I301 HydrophobicContact CG2-CD1 4.22Å
289	A	90.5	Very high	91.2	Very high	3 Å²	3	57.7 Å²	57.7	3%	0.025	31%	0.307	C	S	.	.	H	α-helix	trans	-64.7	-39.8	178.9	0	0	0	0	0	112.7	I285 A286 A291 Y292 P368 A370	I285-A289 PolarHBondContact O-N 3.46Å; I285-A289 VanDerWaalsContact O-N 3.1Å; A286-A289 PolarHBondContact O-N 2.82Å; A289-A291 VanDerWaalsContact C-N 3.32Å; A289-A291 PolarHBondContact O-N 3.31Å; A289-Y292 PolarHBondContact O-N 3.43Å; A289-P368 HydrophobicContact CB-CB 3.87Å; A289-A370 HydrophobicContact CB-CB 3.96Å
290	F	86.1	Confident	91.6	Very high	91 Å²	91	62.7 Å²	62.7	40%	0.399	33%	0.33	S	S	.	.	H	α-helix	trans	-67	-32.5	175.7	-74.1	-57.6	0	0	0	113.5	L258 A286 E287 K293 A370	L258-F290 HydrophobicContact CD1-CE1 3.97Å; L258-F290 HydrophobicContact CD1-CZ 3.51Å; A286-F290 HydrophobicContact CB-CE2 4.3Å; A286-F290 WeakPolarHBondContact O-CD2 3.33Å; A286-F290 PolarHBondContact O-N 3.48Å; E287-F290 PolarHBondContact O-N 3.38Å; F290-K293 PolarHBondContact O-NZ 2.75Å; F290-A370 HydrophobicContact CD1-CB 4.37Å; F290-A370 HydrophobicContact CD2-CB 4.16Å; F290-A370 HydrophobicContact CE1-CB 4.01Å; F290-A370 HydrophobicContact CE2-CB 3.78Å; F290-A370 HydrophobicContact CG-CB 4.44Å; F290-A370 HydrophobicContact CZ-CB 3.72Å
291	A	88.3	Confident	91.9	Very high	72 Å²	72	58.4 Å²	58.4	60%	0.595	31%	0.31	S	S	*	.	H	α-helix	trans	-71	-33.6	178.8	0	0	0	0	0	112.2	E287 I288 A289	E287-A291 WeakPolarHBondContact O-CB 3.29Å; E287-A291 PolarHBondContact O-N 3.04Å; I288-A291 PolarHBondContact O-N 2.65Å; A289-A291 VanDerWaalsContact C-N 3.32Å; A289-A291 PolarHBondContact O-N 3.31Å
292	Y	91.7	Very high	92.1	Very high	19 Å²	19	61.8 Å²	61.8	8%	0.075	33%	0.333	C	S	.	.			trans	-56.2	137.5	179.8	178.1	-95.9	0	0	0	112.7	I288 A289 D296 I298 R367 P368	I288-Y292 PolarHBondContact O-N 3.44Å; A289-Y292 PolarHBondContact O-N 3.43Å; Y292-D296 HydrophobicContact CD2-CB 4.13Å; Y292-D296 HydrophobicContact CE2-CB 4.11Å; Y292-D296 WeakPolarHBondContact CE2-O 3.46Å; Y292-I298 HydrophobicContact CE2-CG1 4.09Å; Y292-R367 HydrophobicContact CD1-CG 4.15Å; Y292-R367 HydrophobicContact CE1-CB 4.47Å; Y292-R367 HydrophobicContact CE1-CG 3.84Å; Y292-P368 HydrophobicContact CD2-CG 4.32Å; Y292-P368 HydrophobicContact CG-CG 4.18Å
293	K	92.7	Very high	92.4	Very high	85 Å²	85	61.8 Å²	61.8	37%	0.37	33%	0.333	S	S	.	.			trans	-126.6	155.5	170.5	-59.9	-70.8	156.5	-100.3	0	109.8	D253 F290 G295 D296	D253-K293 HydrophobicContact CB-CD 4.34Å; D253-K293 WeakPolarHBondContact OD1-CA 3.29Å; F290-K293 PolarHBondContact O-NZ 2.75Å; K293-G295 PolarHBondContact O-N 3.48Å; K293-D296 PolarHBondContact N-OD2 3.26Å; K293-D296 VanDerWaalsContact N-OD2 3.16Å; K293-D296 WeakPolarHBondContact O-CB 3.21Å; K293-D296 PolarHBondContact O-N 3.35Å; K293-D296 VanDerWaalsContact O-N 3.12Å
294	Y	91.7	Very high	92.8	Very high	63 Å²	63	59 Å²	59	25%	0.247	33%	0.328	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.6	130.3	176.8	169.6	-87.2	0	0	0	110.8	H248 A249 S250 D253 E543	H248-Y294 AromaticContact CE1-CE1 3.97Å; A249-Y294 HydrophobicContact CB-CD2 3.84Å; A249-Y294 HydrophobicContact CB-CE2 3.36Å; S250-Y294 VanDerWaalsContact CB-CD1 3.48Å; D253-Y294 PolarHBondContact OD1-N 2.86Å; D253-Y294 VanDerWaalsContact OD1-N 3.09Å; D253-Y294 PolarHBondContact OD2-N 3.32Å; Y294-E543 WeakPolarHBondContact CE2-OE2 3.44Å; Y294-E543 PolarHBondContact OH-OE2 2.8Å
295	G	91.2	Very high	93.1	Very high	65 Å²	65	62.2 Å²	62.2	67%	0.67	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	97.4	-15	-177.8	0	0	0	0	0	114.2	K293	K293-G295 PolarHBondContact O-N 3.48Å
296	D	94.4	Very high	93.2	Very high	79 Å²	79	65.8 Å²	65.8	42%	0.422	37%	0.369	S	S	.	.	S	Bend	trans	-72.5	150.9	170.3	-66.1	-26.8	0	0	0	110.5	Y292 K293	Y292-D296 HydrophobicContact CD2-CB 4.13Å; Y292-D296 HydrophobicContact CE2-CB 4.11Å; Y292-D296 WeakPolarHBondContact CE2-O 3.46Å; K293-D296 PolarHBondContact N-OD2 3.26Å; K293-D296 VanDerWaalsContact N-OD2 3.16Å; K293-D296 WeakPolarHBondContact O-CB 3.21Å; K293-D296 PolarHBondContact O-N 3.35Å; K293-D296 VanDerWaalsContact O-N 3.12Å
297	P	95.8	Very high	93.7	Very high	103 Å²	103	65.7 Å²	65.7	67%	0.669	37%	0.366	S	S	*	.	P	Polyproline II helix	trans	-63.5	142.5	164.6	28.1	-33.4	0	0	0	110	P299	P297-P299 WeakPolarHBondContact O-CD 3.36Å
298	I	96.8	Very high	94.2	Very high	12 Å²	12	61.7 Å²	61.7	6%	0.062	35%	0.348	C	S	.	.	P	Polyproline II helix	trans	-65.9	124	177.1	-58.4	175.1	0	0	0	108.6	Y292 L351 Q352 L366 P368	Y292-I298 HydrophobicContact CE2-CG1 4.09Å; I298-L351 HydrophobicContact CD1-CB 4.19Å; I298-L351 HydrophobicContact CG2-CB 3.68Å; I298-Q352 HydrophobicContact CB-CB 4.16Å; I298-L366 HydrophobicContact CD1-CB 4.15Å; I298-L366 VanDerWaalsContact CD1-O 3.26Å; I298-L366 WeakPolarHBondContact CD1-O 3.5Å; I298-P368 HydrophobicContact CG2-CG 3.63Å
299	P	94.3	Very high	94.5	Very high	44 Å²	44	65.6 Å²	65.6	29%	0.286	36%	0.363	S	S	.	.	P	Polyproline II helix	trans	-62.9	140.9	-175.6	-25.4	35.8	0	0	0	112.6	I288 P297	I288-P299 HydrophobicContact CG2-CB 3.45Å; I288-P299 VanDerWaalsContact CG2-CB 3.45Å; I288-P299 HydrophobicContact CG2-CG 3.62Å; P297-P299 WeakPolarHBondContact O-CD 3.36Å
300	F	96.8	Very high	94.7	Very high	145 Å²	145	65.7 Å²	65.7	64%	0.636	36%	0.363	S	S	*	.	P	Polyproline II helix	trans	-72.7	136.7	176.5	-176.8	-88.1	0	0	0	111.4	D302 Q350	F300-D302 HydrophobicContact CE1-CB 4.27Å; F300-Q350 HydrophobicContact CD2-CG 3.8Å; F300-Q350 HydrophobicContact CE2-CG 3.66Å
301	I	97.1	Very high	95.2	Very high	3 Å²	3	61.3 Å²	61.3	2%	0.015	34%	0.344	C	S	.	.			trans	-108.7	117.9	174.5	-55.1	-60	0	0	0	109.7	I288 Y303 Q350 Q391	I288-I301 HydrophobicContact CD1-CD1 3.48Å; I288-I301 VanDerWaalsContact CD1-CD1 3.48Å; I288-I301 HydrophobicContact CG2-CD1 4.22Å; I301-Y303 HydrophobicContact CB-CD2 4.36Å; I301-Y303 HydrophobicContact CB-CE1 4.27Å; I301-Y303 HydrophobicContact CB-CE2 3.96Å; I301-Y303 HydrophobicContact CG2-CD1 3.79Å; I301-Y303 HydrophobicContact CG2-CD2 4.25Å; I301-Y303 HydrophobicContact CG2-CE1 3.6Å; I301-Y303 HydrophobicContact CG2-CE2 4.1Å; I301-Y303 HydrophobicContact CG2-CG 4.12Å; I301-Y303 WeakPolarHBondContact O-CD2 3.37Å; I301-Y303 PolarHBondContact O-N 2.86Å; I301-Y303 VanDerWaalsContact O-N 3.08Å; I301-Q350 PolarHBondContact O-NE2 3.32Å; I301-Q391 HydrophobicContact CG1-CB 4.2Å; I301-Q391 HydrophobicContact CG1-CG 4.47Å
302	D	96.8	Very high	95.5	Very high	129 Å²	129	61.9 Å²	61.9	69%	0.69	33%	0.331	S	S	*	.			trans	-77.3	91.5	170.9	-169.6	23.3	0	0	0	109.2	R281 F300	R281-D302 PolarHBondContact NH2-O 2.65Å; F300-D302 HydrophobicContact CE1-CB 4.27Å
303	Y	97.9	Very high	95.6	Very high	21 Å²	21	62.9 Å²	62.9	8%	0.082	34%	0.341	C	S	.	.			trans	-73.4	130	-179.7	-69.1	-71.3	0	0	0	111.1	I301 E307 L348 Q391 V393	I301-Y303 HydrophobicContact CB-CD2 4.36Å; I301-Y303 HydrophobicContact CB-CE1 4.27Å; I301-Y303 HydrophobicContact CB-CE2 3.96Å; I301-Y303 HydrophobicContact CG2-CD1 3.79Å; I301-Y303 HydrophobicContact CG2-CD2 4.25Å; I301-Y303 HydrophobicContact CG2-CE1 3.6Å; I301-Y303 HydrophobicContact CG2-CE2 4.1Å; I301-Y303 HydrophobicContact CG2-CG 4.12Å; I301-Y303 WeakPolarHBondContact O-CD2 3.37Å; I301-Y303 PolarHBondContact O-N 2.86Å; I301-Y303 VanDerWaalsContact O-N 3.08Å; Y303-E307 VanDerWaalsContact CA-OE2 3.31Å; Y303-E307 WeakPolarHBondContact CA-OE2 3.27Å; Y303-E307 HydrophobicContact CD1-CB 4.25Å; Y303-L348 HydrophobicContact CD1-CD2 4Å; Y303-L348 HydrophobicContact CD2-CB 3.65Å; Y303-L348 HydrophobicContact CD2-CD1 4.48Å; Y303-L348 HydrophobicContact CD2-CD2 4.38Å; Y303-L348 HydrophobicContact CD2-CG 4.38Å; Y303-L348 HydrophobicContact CE1-CD2 3.88Å; Y303-L348 HydrophobicContact CE2-CB 3.7Å; Y303-L348 HydrophobicContact CE2-CD2 4.25Å; Y303-L348 HydrophobicContact CG-CB 4.17Å; Y303-L348 HydrophobicContact CG-CD1 4.19Å; Y303-L348 HydrophobicContact CG-CD2 4.24Å; Y303-L348 HydrophobicContact CG-CG 4.43Å; Y303-Q391 VanDerWaalsContact CE1-O 3.3Å; Y303-Q391 WeakPolarHBondContact CE1-O 3.39Å; Y303-Q391 PolarHBondContact OH-O 2.96Å; Y303-V393 HydrophobicContact CD1-CG2 4.24Å; Y303-V393 HydrophobicContact CE1-CG2 4.06Å
304	S	97.2	Very high	95.6	Very high	55 Å²	55	59 Å²	59	39%	0.385	33%	0.325	S	S	.	.			trans	-68	159.7	177.7	64.7	0	0	0	0	112.7	V306 E307 V308	S304-V306 PolarHBondContact O-N 3.15Å; S304-V306 VanDerWaalsContact O-N 3.11Å; S304-E307 PolarHBondContact N-OE2 2.81Å; S304-E307 WeakPolarHBondContact O-CB 3.33Å; S304-E307 PolarHBondContact O-N 3.43Å; S304-E307 WeakPolarHBondContact OG-CG 3.46Å; S304-E307 PolarHBondContact OG-N 2.71Å; S304-E307 PolarHBondContact OG-OE2 3.35Å; S304-E307 VanDerWaalsContact OG-OE2 3.09Å; S304-V308 WeakPolarHBondContact O-CG2 3.44Å; S304-V308 PolarHBondContact O-N 3.46Å
305	D	97	Very high	95.8	Very high	146 Å²	146	56.1 Å²	56.1	78%	0.781	31%	0.313	S	S	*	.	H	α-helix	trans	-55.9	-31	174.8	-69.2	-34.5	0	0	0	113	K309	D305-K309 VanDerWaalsContact O-CB 3.29Å; D305-K309 WeakPolarHBondContact O-CB 3.2Å; D305-K309 PolarHBondContact O-N 2.77Å
306	V	96	Very high	95.9	Very high	76 Å²	76	57.6 Å²	57.6	46%	0.461	30%	0.301	S	S	.	.	H	α-helix	trans	-68.3	-46.5	176.3	178.4	0	0	0	0	110.7	S304 K309 T310 V396	S304-V306 PolarHBondContact O-N 3.15Å; S304-V306 VanDerWaalsContact O-N 3.11Å; V306-K309 PolarHBondContact O-N 3.27Å; V306-T310 PolarHBondContact O-N 3.13Å; V306-T310 PolarHBondContact O-OG1 3.46Å; V306-T310 VanDerWaalsContact O-OG1 3.08Å; V306-V396 HydrophobicContact CG1-CB 3.7Å; V306-V396 HydrophobicContact CG1-CG1 4.12Å; V306-V396 HydrophobicContact CG1-CG2 3.71Å
307	E	97.7	Very high	95.8	Very high	17 Å²	17	55.5 Å²	55.5	8%	0.079	29%	0.291	C	S	.	.	H	α-helix	trans	-61.8	-44.1	175.6	-70.3	167.1	144.7	0	0	110.6	R281 Y303 S304 K309 T310 W311 V393	R281-E307 IonicContact CZ-OE1 2.67Å; R281-E307 IonicContact CZ-OE2 3.52Å; R281-E307 IonicContact NE-OE1 3.43Å; R281-E307 PolarHBondContact NE-OE1 3.37Å; R281-E307 IonicContact NE-OE2 3.51Å; R281-E307 IonicContact NH2-OE1 3.37Å; R281-E307 IonicContact NH2-OE2 2.7Å; R281-E307 PolarHBondContact NH2-OE2 2.64Å; Y303-E307 VanDerWaalsContact CA-OE2 3.31Å; Y303-E307 WeakPolarHBondContact CA-OE2 3.27Å; Y303-E307 HydrophobicContact CD1-CB 4.25Å; S304-E307 PolarHBondContact N-OE2 2.81Å; S304-E307 WeakPolarHBondContact O-CB 3.33Å; S304-E307 PolarHBondContact O-N 3.43Å; S304-E307 WeakPolarHBondContact OG-CG 3.46Å; S304-E307 PolarHBondContact OG-N 2.71Å; S304-E307 PolarHBondContact OG-OE2 3.35Å; S304-E307 VanDerWaalsContact OG-OE2 3.09Å; E307-K309 PolarHBondContact O-N 3.08Å; E307-T310 WeakPolarHBondContact O-CB 3.4Å; E307-T310 PolarHBondContact O-N 3.02Å; E307-W311 PolarHBondContact O-N 3.36Å; E307-V393 HydrophobicContact CB-CB 4.36Å; E307-V393 HydrophobicContact CB-CG2 4.01Å; E307-V393 HydrophobicContact CG-CB 4.06Å; E307-V393 HydrophobicContact CG-CG2 4.06Å
308	V	97.9	Very high	95.6	Very high	18 Å²	18	51.3 Å²	51.3	11%	0.109	26%	0.264	C	S	.	.	H	α-helix	trans	-63.5	-38.2	176.3	176.2	0	0	0	0	112.3	S304 W311 R312 T346 L348	S304-V308 WeakPolarHBondContact O-CG2 3.44Å; S304-V308 PolarHBondContact O-N 3.46Å; V308-W311 PolarHBondContact O-N 2.71Å; V308-R312 WeakPolarHBondContact O-CB 3.49Å; V308-R312 PolarHBondContact O-N 3.01Å; V308-T346 VanDerWaalsContact CG1-O 3.23Å; V308-T346 WeakPolarHBondContact CG1-O 3.37Å; V308-L348 HydrophobicContact CB-CD1 4.26Å; V308-L348 HydrophobicContact CG2-CD1 3.84Å
309	K	96.3	Very high	95.4	Very high	132 Å²	132	53.8 Å²	53.8	57%	0.574	28%	0.275	S	S	*	.	H	α-helix	trans	-64.8	-41.7	174.5	-174.9	180	177.5	-176	0	111.3	D305 V306 E307 R312 S313	D305-K309 VanDerWaalsContact O-CB 3.29Å; D305-K309 WeakPolarHBondContact O-CB 3.2Å; D305-K309 PolarHBondContact O-N 2.77Å; V306-K309 PolarHBondContact O-N 3.27Å; E307-K309 PolarHBondContact O-N 3.08Å; K309-R312 PolarHBondContact O-N 3.23Å; K309-S313 PolarHBondContact O-N 3.14Å; K309-S313 VanDerWaalsContact O-N 3.14Å; K309-S313 PolarHBondContact O-OG 3.44Å
310	T	95.2	Very high	95.3	Very high	4 Å²	4	57.1 Å²	57.1	3%	0.025	29%	0.29	C	S	.	.	H	α-helix	trans	-61.6	-47.8	175.8	-58.3	0	0	0	0	111	V306 E307 R312 S313 V314 V393 R394 P399 I408	V306-T310 PolarHBondContact O-N 3.13Å; V306-T310 PolarHBondContact O-OG1 3.46Å; V306-T310 VanDerWaalsContact O-OG1 3.08Å; E307-T310 WeakPolarHBondContact O-CB 3.4Å; E307-T310 PolarHBondContact O-N 3.02Å; T310-R312 PolarHBondContact O-N 3.29Å; T310-S313 PolarHBondContact O-N 2.99Å; T310-V314 PolarHBondContact O-N 3.48Å; T310-V393 HydrophobicContact CG2-CG1 3.86Å; T310-R394 HydrophobicContact CG2-CG 3.95Å; T310-P399 HydrophobicContact CG2-CB 3.88Å; T310-I408 HydrophobicContact CG2-CD1 3.77Å
311	W	95.9	Very high	95.1	Very high	0 Å²	0	51.9 Å²	51.9	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-53.2	-52.1	173.2	165	-101.4	0	0	0	112.2	E307 V308 S313 V314 F315 V344 R347 L348 P349 I408 L411 L412	E307-W311 PolarHBondContact O-N 3.36Å; V308-W311 PolarHBondContact O-N 2.71Å; W311-S313 VanDerWaalsContact C-N 3.29Å; W311-S313 PolarHBondContact O-N 2.97Å; W311-V314 PolarHBondContact O-N 3.22Å; W311-F315 AromaticContact CE2-CD2 3.76Å; W311-F315 AromaticContact CH2-CD2 3.86Å; W311-F315 HydrophobicContact CH2-CD2 3.86Å; W311-F315 HydrophobicContact CH2-CE2 4.38Å; W311-F315 HydrophobicContact CZ2-CB 4.5Å; W311-F315 AromaticContact CZ2-CD2 3.29Å; W311-F315 HydrophobicContact CZ2-CD2 3.29Å; W311-F315 AromaticContact CZ2-CE2 3.8Å; W311-F315 HydrophobicContact CZ2-CE2 3.8Å; W311-F315 HydrophobicContact CZ2-CG 4.2Å; W311-F315 VanDerWaalsContact O-CB 3.26Å; W311-F315 WeakPolarHBondContact O-CB 3.06Å; W311-F315 PolarHBondContact O-N 2.89Å; W311-V344 PolarHBondContact NE1-O 3.45Å; W311-R347 PolarHBondContact NE1-O 3.45Å; W311-R347 VanDerWaalsContact NE1-O 3.08Å; W311-L348 HydrophobicContact CB-CD1 3.5Å; W311-L348 HydrophobicContact CB-CD2 4.34Å; W311-L348 HydrophobicContact CB-CG 3.66Å; W311-L348 HydrophobicContact CD2-CG 4.11Å; W311-L348 HydrophobicContact CE3-CG 4.32Å; W311-L348 HydrophobicContact CG-CD1 4.01Å; W311-L348 HydrophobicContact CG-CG 3.83Å; W311-P349 HydrophobicContact CH2-CG 3.88Å; W311-P349 VanDerWaalsContact CZ2-CD 3.47Å; W311-P349 HydrophobicContact CZ2-CG 3.97Å; W311-I408 HydrophobicContact CB-CD1 4.39Å; W311-I408 HydrophobicContact CE3-CG1 4.15Å; W311-I408 HydrophobicContact CE3-CG2 4.24Å; W311-I408 HydrophobicContact CZ3-CG2 4.5Å; W311-L411 HydrophobicContact CH2-CB 4.42Å; W311-L411 HydrophobicContact CZ3-CB 4.09Å; W311-L411 HydrophobicContact CZ3-CD1 4.25Å; W311-L412 HydrophobicContact CE3-CD1 4.44Å; W311-L412 HydrophobicContact CH2-CD1 4.38Å; W311-L412 HydrophobicContact CH2-CD2 3.57Å; W311-L412 HydrophobicContact CH2-CG 3.88Å; W311-L412 HydrophobicContact CZ2-CD2 4.43Å; W311-L412 HydrophobicContact CZ3-CD1 3.94Å; W311-L412 HydrophobicContact CZ3-CD2 3.9Å; W311-L412 HydrophobicContact CZ3-CG 3.65Å
312	R	96.2	Very high	94.9	Very high	83 Å²	83	52.1 Å²	52.1	31%	0.313	27%	0.271	S	S	.	.	H	α-helix	trans	-56.2	-43.3	-178.5	-173.6	179.9	-53.2	116.7	1.8	112.6	V308 K309 T310 K316 E345	V308-R312 WeakPolarHBondContact O-CB 3.49Å; V308-R312 PolarHBondContact O-N 3.01Å; K309-R312 PolarHBondContact O-N 3.23Å; T310-R312 PolarHBondContact O-N 3.29Å; R312-K316 WeakPolarHBondContact O-CG 3.43Å; R312-K316 PolarHBondContact O-N 3.16Å; R312-K316 VanDerWaalsContact O-N 3.12Å; R312-E345 WeakPolarHBondContact CB-O 3.47Å; R312-E345 HydrophobicContact CG-CB 4.2Å; R312-E345 PolarHBondContact NE-O 3.2Å
313	S	93	Very high	94.9	Very high	41 Å²	41	49.8 Å²	49.8	29%	0.287	26%	0.263	S	S	.	.	H	α-helix	trans	-60.8	-47.9	179.1	-62	0	0	0	0	111.4	K309 T310 W311 T317	K309-S313 PolarHBondContact O-N 3.14Å; K309-S313 VanDerWaalsContact O-N 3.14Å; K309-S313 PolarHBondContact O-OG 3.44Å; T310-S313 PolarHBondContact O-N 2.99Å; W311-S313 VanDerWaalsContact C-N 3.29Å; W311-S313 PolarHBondContact O-N 2.97Å; S313-T317 PolarHBondContact O-OG1 3.4Å
314	V	92.5	Very high	94.7	Very high	4 Å²	4	55.6 Å²	55.6	2%	0.024	29%	0.289	C	S	.	.	H	α-helix	trans	-70.2	-42.3	179.9	-175.7	0	0	0	0	111.3	T310 W311 K316 T317 V318 P399 Y400 I408 L412	T310-V314 PolarHBondContact O-N 3.48Å; W311-V314 PolarHBondContact O-N 3.22Å; V314-K316 PolarHBondContact O-N 3.42Å; V314-T317 PolarHBondContact O-N 2.99Å; V314-V318 HydrophobicContact CG1-CG2 4.31Å; V314-V318 WeakPolarHBondContact O-CG2 3.36Å; V314-V318 PolarHBondContact O-N 3.42Å; V314-P399 WeakPolarHBondContact CG2-O 3.16Å; V314-Y400 HydrophobicContact CG2-CD1 4.29Å; V314-I408 HydrophobicContact CB-CG2 3.92Å; V314-I408 HydrophobicContact CG1-CG2 3.7Å; V314-I408 HydrophobicContact CG2-CD1 4.4Å; V314-I408 HydrophobicContact CG2-CG2 4.26Å; V314-L412 HydrophobicContact CB-CD1 4.46Å; V314-L412 HydrophobicContact CG1-CD1 3.82Å
315	F	95	Very high	94.7	Very high	2 Å²	2	54.8 Å²	54.8	1%	0.009	28%	0.279	C	S	.	.	H	α-helix	trans	-56.9	-46.9	-179.5	-173.5	-88.4	0	0	0	111.9	W311 T317 V318 Q319 F334 F343 E345 L412	W311-F315 AromaticContact CE2-CD2 3.76Å; W311-F315 AromaticContact CH2-CD2 3.86Å; W311-F315 HydrophobicContact CH2-CD2 3.86Å; W311-F315 HydrophobicContact CH2-CE2 4.38Å; W311-F315 HydrophobicContact CZ2-CB 4.5Å; W311-F315 AromaticContact CZ2-CD2 3.29Å; W311-F315 HydrophobicContact CZ2-CD2 3.29Å; W311-F315 AromaticContact CZ2-CE2 3.8Å; W311-F315 HydrophobicContact CZ2-CE2 3.8Å; W311-F315 HydrophobicContact CZ2-CG 4.2Å; W311-F315 VanDerWaalsContact O-CB 3.26Å; W311-F315 WeakPolarHBondContact O-CB 3.06Å; W311-F315 PolarHBondContact O-N 2.89Å; F315-T317 VanDerWaalsContact C-N 3.34Å; F315-T317 PolarHBondContact O-N 3.42Å; F315-V318 PolarHBondContact O-N 3.41Å; F315-Q319 VanDerWaalsContact CE1-OE1 3.3Å; F315-Q319 WeakPolarHBondContact O-CB 3.27Å; F315-Q319 PolarHBondContact O-N 2.92Å; F315-F334 AromaticContact CE2-CZ 3.79Å; F315-F334 HydrophobicContact CE2-CZ 3.79Å; F315-F334 HydrophobicContact CZ-CE1 4.2Å; F315-F334 AromaticContact CZ-CZ 3.87Å; F315-F334 HydrophobicContact CZ-CZ 3.87Å; F315-F343 HydrophobicContact CE2-CB 3.81Å; F315-F343 HydrophobicContact CE2-CD2 4.18Å; F315-F343 HydrophobicContact CE2-CG 4.1Å; F315-F343 HydrophobicContact CZ-CB 4.07Å; F315-E345 HydrophobicContact CD1-CB 4.47Å; F315-E345 HydrophobicContact CD1-CG 3.53Å; F315-E345 HydrophobicContact CE1-CG 3.85Å; F315-L412 HydrophobicContact CD2-CD2 3.9Å; F315-L412 HydrophobicContact CE2-CD2 4.3Å
316	K	94.4	Very high	94.7	Very high	96 Å²	96	47.9 Å²	47.9	42%	0.417	24%	0.242	S	C	.	.	H	α-helix	trans	-58.7	-45.7	177.3	-77	-172.6	173	-167.8	0	112.2	R312 V314 V318 Q319 D320 E345	R312-K316 WeakPolarHBondContact O-CG 3.43Å; R312-K316 PolarHBondContact O-N 3.16Å; R312-K316 VanDerWaalsContact O-N 3.12Å; V314-K316 PolarHBondContact O-N 3.42Å; K316-V318 PolarHBondContact O-N 2.91Å; K316-Q319 PolarHBondContact O-N 3.36Å; K316-D320 VanDerWaalsContact O-CG 3.3Å; K316-D320 PolarHBondContact O-N 3.35Å; K316-E345 WeakPolarHBondContact CE-OE1 3.09Å; K316-E345 WeakPolarHBondContact CE-OE2 3.27Å; K316-E345 HydrophobicContact CG-CG 4.38Å; K316-E345 IonicContact NZ-OE2 3.52Å
317	T	91.2	Very high	94.8	Very high	35 Å²	35	44.2 Å²	44.2	22%	0.215	22%	0.22	C	C	.	.	H	α-helix	trans	-61.8	-43.8	178.1	-54.7	0	0	0	0	111.9	S313 V314 F315 D320 L321 Y475	S313-T317 PolarHBondContact O-OG1 3.4Å; V314-T317 PolarHBondContact O-N 2.99Å; F315-T317 VanDerWaalsContact C-N 3.34Å; F315-T317 PolarHBondContact O-N 3.42Å; T317-D320 PolarHBondContact O-N 3.13Å; T317-L321 HydrophobicContact CG2-CD1 3.9Å; T317-L321 WeakPolarHBondContact O-CB 3.44Å; T317-L321 WeakPolarHBondContact O-CG 3.42Å; T317-L321 PolarHBondContact O-N 3.07Å; T317-L321 VanDerWaalsContact O-N 3.11Å; T317-Y475 HydrophobicContact CG2-CD1 3.92Å; T317-Y475 HydrophobicContact CG2-CG 3.99Å
318	V	92	Very high	94.8	Very high	14 Å²	14	45.2 Å²	45.2	9%	0.085	23%	0.231	C	C	.	.	H	α-helix	trans	-64.1	-42.9	176.4	173.4	0	0	0	0	110.6	V314 F315 K316 D320 L321 A322 F334 L412 L472	V314-V318 HydrophobicContact CG1-CG2 4.31Å; V314-V318 WeakPolarHBondContact O-CG2 3.36Å; V314-V318 PolarHBondContact O-N 3.42Å; F315-V318 PolarHBondContact O-N 3.41Å; K316-V318 PolarHBondContact O-N 2.91Å; V318-D320 VanDerWaalsContact C-N 3.27Å; V318-D320 PolarHBondContact O-N 3.48Å; V318-L321 PolarHBondContact O-N 2.91Å; V318-A322 HydrophobicContact CG1-CB 4.35Å; V318-A322 WeakPolarHBondContact O-CB 3.37Å; V318-A322 PolarHBondContact O-N 3.35Å; V318-F334 HydrophobicContact CG1-CE2 4.02Å; V318-L412 HydrophobicContact CB-CD1 4.49Å; V318-L412 HydrophobicContact CG2-CD1 4.01Å; V318-L472 WeakPolarHBondContact CG2-O 3.44Å
319	Q	92.4	Very high	94.8	Very high	65 Å²	65	47.6 Å²	47.6	30%	0.304	24%	0.24	S	C	.	.	H	α-helix	trans	-61.2	-34.6	178.2	-170.8	172.7	8.9	0	0	112.7	F315 K316 P323	F315-Q319 VanDerWaalsContact CE1-OE1 3.3Å; F315-Q319 WeakPolarHBondContact O-CB 3.27Å; F315-Q319 PolarHBondContact O-N 2.92Å; K316-Q319 PolarHBondContact O-N 3.36Å; Q319-P323 WeakPolarHBondContact O-CD 3.13Å; Q319-P323 WeakPolarHBondContact O-CG 3.39Å
320	D	93.1	Very high	94.9	Very high	114 Å²	114	41.3 Å²	41.3	61%	0.61	21%	0.213	S	C	*	.	H	α-helix	trans	-75.9	-34.3	177.6	-70.2	-21.7	0	0	0	113.1	K316 T317 V318	K316-D320 VanDerWaalsContact O-CG 3.3Å; K316-D320 PolarHBondContact O-N 3.35Å; T317-D320 PolarHBondContact O-N 3.13Å; V318-D320 VanDerWaalsContact C-N 3.27Å; V318-D320 PolarHBondContact O-N 3.48Å
321	L	92.7	Very high	95	Very high	35 Å²	35	45.2 Å²	45.2	18%	0.183	23%	0.227	C	C	.	.	H	α-helix	trans	-94.2	-36.6	-173.5	-67	178	0	0	0	113.9	T317 V318 P323 K324 H325 L478	T317-L321 HydrophobicContact CG2-CD1 3.9Å; T317-L321 WeakPolarHBondContact O-CB 3.44Å; T317-L321 WeakPolarHBondContact O-CG 3.42Å; T317-L321 PolarHBondContact O-N 3.07Å; T317-L321 VanDerWaalsContact O-N 3.11Å; V318-L321 PolarHBondContact O-N 2.91Å; L321-P323 VanDerWaalsContact C-CD 3.44Å; L321-P323 VanDerWaalsContact C-N 3.35Å; L321-K324 PolarHBondContact O-N 3.21Å; L321-H325 PolarHBondContact O-CD2 2.85Å; L321-H325 PolarHBondContact O-N 3.48Å; L321-L478 HydrophobicContact CB-CD2 4.26Å; L321-L478 HydrophobicContact CD1-CD2 4.39Å
322	A	93.7	Very high	95.2	Very high	7 Å²	7	47.8 Å²	47.8	6%	0.058	25%	0.249	C	C	.	.	H	α-helix	trans	-55.4	-40.8	-175.6	0	0	0	0	0	113.3	V318 K324 H325 A326 Y330	V318-A322 HydrophobicContact CG1-CB 4.35Å; V318-A322 WeakPolarHBondContact O-CB 3.37Å; V318-A322 PolarHBondContact O-N 3.35Å; A322-K324 PolarHBondContact O-N 3.45Å; A322-K324 VanDerWaalsContact O-N 3.15Å; A322-H325 PolarHBondContact O-N 2.92Å; A322-A326 HydrophobicContact CB-CB 4.08Å; A322-A326 VanDerWaalsContact O-CB 3.26Å; A322-A326 WeakPolarHBondContact O-CB 3.21Å; A322-A326 PolarHBondContact O-N 2.85Å; A322-Y330 HydrophobicContact CB-CD1 4.43Å; A322-Y330 HydrophobicContact CB-CE1 3.97Å
323	P	95.1	Very high	95.3	Very high	81 Å²	81	44 Å²	44	53%	0.526	24%	0.235	S	C	.	.	H	α-helix	trans	-57.7	-30.6	176.7	-27.2	36.5	0	0	0	114.1	Q319 L321	Q319-P323 WeakPolarHBondContact O-CD 3.13Å; Q319-P323 WeakPolarHBondContact O-CG 3.39Å; L321-P323 VanDerWaalsContact C-CD 3.44Å; L321-P323 VanDerWaalsContact C-N 3.35Å
324	K	94.4	Very high	95.5	Very high	142 Å²	142	42.6 Å²	42.6	62%	0.617	22%	0.224	S	C	*	.	H	α-helix	trans	-89.2	-38.5	-177.7	-63.8	177.3	-176.1	172.1	0	112.2	L321 A322 K465	L321-K324 PolarHBondContact O-N 3.21Å; A322-K324 PolarHBondContact O-N 3.45Å; A322-K324 VanDerWaalsContact O-N 3.15Å; K324-K465 PolarHBondContact O-NZ 3.19Å
325	H	96.4	Very high	95.8	Very high	39 Å²	39	46.9 Å²	46.9	18%	0.181	24%	0.244	C	C	.	.	H	α-helix	trans	-116.4	-24.7	-161.3	-66	-54.8	0	0	0	114.4	L321 A322 K465 A466 L478 I482	L321-H325 PolarHBondContact O-CD2 2.85Å; L321-H325 PolarHBondContact O-N 3.48Å; A322-H325 PolarHBondContact O-N 2.92Å; H325-K465 WeakPolarHBondContact O-CA 3.13Å; H325-A466 PolarHBondContact O-N 3.42Å; H325-L478 HydrophobicContact CB-CD1 4.18Å; H325-L478 HydrophobicContact CB-CD2 4.01Å; H325-L478 HydrophobicContact CB-CG 4.24Å; H325-I482 HydrophobicContact CB-CD1 3.44Å; H325-I482 VanDerWaalsContact CB-CD1 3.44Å; H325-I482 WeakPolarHBondContact ND1-CD1 3.4Å
326	A	97.3	Very high	95.9	Very high	0 Å²	0	51.6 Å²	51.6	0%	0	26%	0.264	C	S	.	.	B	Isolated β-bridge	trans	-83	150.4	179.2	0	0	0	0	0	111.8	A322 Y330 R331 A466 L472	A322-A326 HydrophobicContact CB-CB 4.08Å; A322-A326 VanDerWaalsContact O-CB 3.26Å; A322-A326 WeakPolarHBondContact O-CB 3.21Å; A322-A326 PolarHBondContact O-N 2.85Å; A326-Y330 HydrophobicContact CB-CD1 3.54Å; A326-Y330 HydrophobicContact CB-CE1 4.23Å; A326-Y330 HydrophobicContact CB-CG 4.05Å; A326-R331 HydrophobicContact CB-CG 4.22Å; A326-R331 PolarHBondContact O-NE 3.42Å; A326-R331 VanDerWaalsContact O-NE 3.12Å; A326-A466 WeakPolarHBondContact CA-O 3.48Å; A326-L472 HydrophobicContact CB-CD2 3.63Å
327	C	98.1	Very high	96.1	Very high	0 Å²	0	47 Å²	47	0%	0	25%	0.245	C	C	.	.			trans	-64.6	162.2	176.6	76	0	0	0	0	112.4	E329 Y330 R331 C458 K465 A466	C327-E329 VanDerWaalsContact C-N 3.3Å; C327-E329 PolarHBondContact O-N 3.45Å; C327-E329 PolarHBondContact SG-OE2 2.72Å; C327-Y330 PolarHBondContact O-N 3.21Å; C327-R331 WeakPolarHBondContact O-CG 3.34Å; C327-R331 PolarHBondContact O-N 2.82Å; C327-R331 VanDerWaalsContact O-N 3.1Å; C327-R331 PolarHBondContact O-NE 3.32Å; C327-C458 WeakPolarHBondContact CB-SG 3.22Å; C327-K465 HydrophobicContact CB-CB 4.04Å; C327-A466 PolarHBondContact N-O 2.89Å
328	A	98	Very high	96.4	Very high	37 Å²	37	47.2 Å²	47.2	31%	0.306	24%	0.243	S	C	.	.	H	α-helix	trans	-57.9	-40.3	-177.8	0	0	0	0	0	113.2	R331 A332 E460	A328-R331 PolarHBondContact O-N 2.92Å; A328-A332 WeakPolarHBondContact O-CB 3.31Å; A328-A332 PolarHBondContact O-N 2.9Å; A328-E460 PolarHBondContact N-OE2 2.7Å
329	E	98.2	Very high	96.7	Very high	68 Å²	68	51.8 Å²	51.8	32%	0.318	27%	0.267	S	S	.	.	H	α-helix	trans	-62.8	-45.9	179.9	-60.9	82	178.1	0	0	111	C327 A332 A333 L417 D420 F516	C327-E329 VanDerWaalsContact C-N 3.3Å; C327-E329 PolarHBondContact O-N 3.45Å; C327-E329 PolarHBondContact SG-OE2 2.72Å; E329-A332 PolarHBondContact O-N 2.94Å; E329-A333 WeakPolarHBondContact O-CB 3.42Å; E329-A333 PolarHBondContact O-N 3.26Å; E329-L417 HydrophobicContact CB-CD2 3.88Å; E329-D420 HydrophobicContact CB-CB 4.26Å; E329-F516 HydrophobicContact CB-CE2 4.07Å; E329-F516 HydrophobicContact CG-CD2 4.29Å; E329-F516 HydrophobicContact CG-CE2 3.84Å
330	Y	98.4	Very high	96.9	Very high	0 Å²	0	52.8 Å²	52.8	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-60.6	-49.1	175.6	-178.5	-86.1	0	0	0	111	A322 A326 C327 A332 A333 F334 L412 P416 L417 L472	A322-Y330 HydrophobicContact CB-CD1 4.43Å; A322-Y330 HydrophobicContact CB-CE1 3.97Å; A326-Y330 HydrophobicContact CB-CD1 3.54Å; A326-Y330 HydrophobicContact CB-CE1 4.23Å; A326-Y330 HydrophobicContact CB-CG 4.05Å; C327-Y330 PolarHBondContact O-N 3.21Å; Y330-A332 VanDerWaalsContact C-N 3.34Å; Y330-A332 PolarHBondContact O-N 3.4Å; Y330-A333 PolarHBondContact O-N 2.97Å; Y330-F334 HydrophobicContact CD1-CB 4.44Å; Y330-F334 HydrophobicContact CE1-CB 4.24Å; Y330-F334 AromaticContact CE1-CD2 3.68Å; Y330-F334 HydrophobicContact CE1-CD2 3.68Å; Y330-F334 HydrophobicContact CE1-CE2 4.45Å; Y330-F334 HydrophobicContact CE1-CG 4.28Å; Y330-F334 AromaticContact CZ-CD2 3.85Å; Y330-F334 VanDerWaalsContact O-CB 3.3Å; Y330-F334 WeakPolarHBondContact O-CB 3.32Å; Y330-F334 PolarHBondContact O-N 2.98Å; Y330-L412 VanDerWaalsContact CE2-O 3.25Å; Y330-L412 WeakPolarHBondContact CE2-O 3.21Å; Y330-L412 PolarHBondContact OH-O 3.27Å; Y330-P416 HydrophobicContact CD2-CB 3.63Å; Y330-P416 HydrophobicContact CD2-CG 4.07Å; Y330-P416 HydrophobicContact CE2-CB 3.62Å; Y330-P416 HydrophobicContact CE2-CG 3.49Å; Y330-P416 VanDerWaalsContact CE2-CG 3.49Å; Y330-P416 HydrophobicContact CG-CB 4.26Å; Y330-L417 HydrophobicContact CD2-CD1 4.17Å; Y330-L417 HydrophobicContact CD2-CG 3.99Å; Y330-L472 HydrophobicContact CD1-CD1 4.47Å; Y330-L472 HydrophobicContact CD2-CD1 3.35Å; Y330-L472 HydrophobicContact CE2-CB 4.15Å; Y330-L472 HydrophobicContact CE2-CD1 3.54Å; Y330-L472 HydrophobicContact CE2-CG 4.38Å; Y330-L472 HydrophobicContact CG-CD1 3.85Å
331	R	98.2	Very high	97.1	Very high	86 Å²	86	53.3 Å²	53.3	33%	0.325	27%	0.27	S	S	.	.	H	α-helix	trans	-60.8	-42.5	-179.3	-70.3	-179.5	-71.9	128.9	-5.8	111.8	A326 C327 A328 F334 Q335 E460	A326-R331 HydrophobicContact CB-CG 4.22Å; A326-R331 PolarHBondContact O-NE 3.42Å; A326-R331 VanDerWaalsContact O-NE 3.12Å; C327-R331 WeakPolarHBondContact O-CG 3.34Å; C327-R331 PolarHBondContact O-N 2.82Å; C327-R331 VanDerWaalsContact O-N 3.1Å; C327-R331 PolarHBondContact O-NE 3.32Å; A328-R331 PolarHBondContact O-N 2.92Å; R331-F334 PolarHBondContact O-N 2.94Å; R331-Q335 PolarHBondContact O-N 3.48Å; R331-E460 IonicContact NH2-OE1 2.76Å; R331-E460 PolarHBondContact NH2-OE1 3.44Å; R331-E460 IonicContact NH2-OE2 2.88Å; R331-E460 PolarHBondContact NH2-OE2 2.98Å
332	A	98.4	Very high	97.4	Very high	54 Å²	54	52 Å²	52	45%	0.446	26%	0.263	S	S	.	.	H	α-helix	trans	-64.3	-42	177.9	0	0	0	0	0	112.1	A328 E329 Y330 K336	A328-A332 WeakPolarHBondContact O-CB 3.31Å; A328-A332 PolarHBondContact O-N 2.9Å; E329-A332 PolarHBondContact O-N 2.94Å; Y330-A332 VanDerWaalsContact C-N 3.34Å; Y330-A332 PolarHBondContact O-N 3.4Å; A332-K336 WeakPolarHBondContact O-CG 3.43Å; A332-K336 PolarHBondContact O-N 3.43Å
333	A	98.2	Very high	97.6	Very high	4 Å²	4	51.8 Å²	51.8	3%	0.033	26%	0.261	C	S	.	.	H	α-helix	trans	-70.7	-38.9	176.6	0	0	0	0	0	112.8	E329 Y330 Q335 K336 L337 P416 A419	E329-A333 WeakPolarHBondContact O-CB 3.42Å; E329-A333 PolarHBondContact O-N 3.26Å; Y330-A333 PolarHBondContact O-N 2.97Å; A333-Q335 VanDerWaalsContact C-N 3.33Å; A333-Q335 PolarHBondContact O-N 3.28Å; A333-K336 WeakPolarHBondContact O-CB 3.19Å; A333-K336 PolarHBondContact O-N 3.32Å; A333-L337 WeakPolarHBondContact O-CG 3.24Å; A333-L337 PolarHBondContact O-N 3.14Å; A333-P416 HydrophobicContact CB-CB 3.92Å; A333-P416 WeakPolarHBondContact CB-O 3.27Å; A333-A419 HydrophobicContact CB-CB 4.3Å
334	F	98	Very high	97.7	Very high	12 Å²	12	49.1 Å²	49.1	5%	0.053	24%	0.243	C	C	.	.	H	α-helix	trans	-59.1	-44.8	175.5	-164.6	-79.9	0	0	0	111	F315 V318 Y330 R331 K336 L337 Q338 F343 L412 P416	F315-F334 AromaticContact CE2-CZ 3.79Å; F315-F334 HydrophobicContact CE2-CZ 3.79Å; F315-F334 HydrophobicContact CZ-CE1 4.2Å; F315-F334 AromaticContact CZ-CZ 3.87Å; F315-F334 HydrophobicContact CZ-CZ 3.87Å; V318-F334 HydrophobicContact CG1-CE2 4.02Å; Y330-F334 HydrophobicContact CD1-CB 4.44Å; Y330-F334 HydrophobicContact CE1-CB 4.24Å; Y330-F334 AromaticContact CE1-CD2 3.68Å; Y330-F334 HydrophobicContact CE1-CD2 3.68Å; Y330-F334 HydrophobicContact CE1-CE2 4.45Å; Y330-F334 HydrophobicContact CE1-CG 4.28Å; Y330-F334 AromaticContact CZ-CD2 3.85Å; Y330-F334 VanDerWaalsContact O-CB 3.3Å; Y330-F334 WeakPolarHBondContact O-CB 3.32Å; Y330-F334 PolarHBondContact O-N 2.98Å; R331-F334 PolarHBondContact O-N 2.94Å; F334-K336 PolarHBondContact O-N 2.68Å; F334-L337 WeakPolarHBondContact O-CB 3.45Å; F334-L337 PolarHBondContact O-N 2.83Å; F334-Q338 HydrophobicContact CD1-CG 4.07Å; F334-Q338 HydrophobicContact CE1-CG 3.97Å; F334-Q338 WeakPolarHBondContact O-CG 3.49Å; F334-Q338 PolarHBondContact O-N 3.39Å; F334-Q338 VanDerWaalsContact O-N 3.08Å; F334-F343 HydrophobicContact CD1-CD2 4.44Å; F334-F343 AromaticContact CD2-CD2 3.7Å; F334-F343 HydrophobicContact CD2-CD2 3.7Å; F334-F343 AromaticContact CD2-CE2 3.65Å; F334-F343 HydrophobicContact CD2-CE2 3.65Å; F334-F343 HydrophobicContact CE1-CD2 4.29Å; F334-F343 AromaticContact CE2-CD2 3.53Å; F334-F343 HydrophobicContact CE2-CD2 3.53Å; F334-F343 AromaticContact CE2-CE2 3.63Å; F334-F343 HydrophobicContact CE2-CE2 3.63Å; F334-F343 HydrophobicContact CG-CD2 4.16Å; F334-F343 HydrophobicContact CG-CE2 4.43Å; F334-F343 AromaticContact CZ-CD2 3.84Å; F334-F343 HydrophobicContact CZ-CD2 3.84Å; F334-F343 HydrophobicContact CZ-CE2 4.39Å; F334-L412 HydrophobicContact CE2-CD2 4.14Å; F334-P416 HydrophobicContact CD2-CG 4.36Å
335	Q	98	Very high	97.8	Very high	94 Å²	94	45.4 Å²	45.4	44%	0.439	23%	0.228	S	C	.	.	H	α-helix	trans	-59.8	-45.2	175.6	-175.6	61.8	56.2	0	0	111.8	R331 A333 L337 Q338 D339	R331-Q335 PolarHBondContact O-N 3.48Å; A333-Q335 VanDerWaalsContact C-N 3.33Å; A333-Q335 PolarHBondContact O-N 3.28Å; Q335-L337 VanDerWaalsContact C-N 3.28Å; Q335-L337 PolarHBondContact O-N 2.98Å; Q335-Q338 WeakPolarHBondContact O-CB 3.42Å; Q335-Q338 PolarHBondContact O-N 3.27Å; Q335-Q338 VanDerWaalsContact O-N 3.11Å; Q335-D339 PolarHBondContact NE2-OD1 2.83Å; Q335-D339 PolarHBondContact O-N 3.46Å
336	K	98.3	Very high	97.8	Very high	101 Å²	101	48.4 Å²	48.4	44%	0.439	25%	0.249	S	C	.	.	H	α-helix	trans	-58.8	-39.7	176.3	-69.7	173.5	-177.2	176.9	0	112.3	A332 A333 F334 Q338 D339 E340 F357	A332-K336 WeakPolarHBondContact O-CG 3.43Å; A332-K336 PolarHBondContact O-N 3.43Å; A333-K336 WeakPolarHBondContact O-CB 3.19Å; A333-K336 PolarHBondContact O-N 3.32Å; F334-K336 PolarHBondContact O-N 2.68Å; K336-Q338 VanDerWaalsContact C-N 3.32Å; K336-Q338 PolarHBondContact O-N 2.94Å; K336-D339 PolarHBondContact O-N 3.47Å; K336-E340 PolarHBondContact O-N 3.39Å; K336-F357 HydrophobicContact CB-CE2 4.33Å; K336-F357 HydrophobicContact CB-CZ 4.1Å
337	L	98.5	Very high	97.8	Very high	0 Å²	0	52.5 Å²	52.5	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-66.5	-32.8	177.5	-75.1	161.9	0	0	0	112.5	A333 F334 Q335 Q341 I342 F343 M354 F357 P416	A333-L337 WeakPolarHBondContact O-CG 3.24Å; A333-L337 PolarHBondContact O-N 3.14Å; F334-L337 WeakPolarHBondContact O-CB 3.45Å; F334-L337 PolarHBondContact O-N 2.83Å; Q335-L337 VanDerWaalsContact C-N 3.28Å; Q335-L337 PolarHBondContact O-N 2.98Å; L337-Q341 PolarHBondContact O-N 3.16Å; L337-I342 HydrophobicContact CD2-CB 4.23Å; L337-I342 HydrophobicContact CD2-CD1 4.12Å; L337-I342 HydrophobicContact CD2-CG2 4.37Å; L337-I342 PolarHBondContact O-N 2.87Å; L337-F343 HydrophobicContact CB-CB 3.93Å; L337-F343 HydrophobicContact CB-CD1 4.03Å; L337-F343 HydrophobicContact CB-CD2 3.81Å; L337-F343 HydrophobicContact CB-CE2 4.33Å; L337-F343 HydrophobicContact CB-CG 3.65Å; L337-F343 HydrophobicContact CD1-CD1 4.34Å; L337-F343 HydrophobicContact CD1-CD2 3.99Å; L337-F343 HydrophobicContact CD1-CE1 3.99Å; L337-F343 HydrophobicContact CD1-CE2 3.62Å; L337-F343 HydrophobicContact CD1-CG 4.34Å; L337-F343 HydrophobicContact CD1-CZ 3.61Å; L337-F343 HydrophobicContact CD2-CD1 4.44Å; L337-F343 HydrophobicContact CD2-CE1 4.43Å; L337-F343 HydrophobicContact CG-CG 4.49Å; L337-F343 PolarHBondContact O-N 3.03Å; L337-M354 HydrophobicContact CD1-CE 4.37Å; L337-M354 HydrophobicContact CD2-CE 3.69Å; L337-M354 HydrophobicContact CD2-SD 3.84Å; L337-F357 HydrophobicContact CD1-CE1 4.26Å; L337-F357 HydrophobicContact CD2-CD1 3.49Å; L337-F357 VanDerWaalsContact CD2-CD1 3.49Å; L337-F357 HydrophobicContact CD2-CD2 4.13Å; L337-F357 HydrophobicContact CD2-CE1 3.41Å; L337-F357 VanDerWaalsContact CD2-CE1 3.41Å; L337-F357 HydrophobicContact CD2-CE2 4.09Å; L337-F357 HydrophobicContact CD2-CG 3.85Å; L337-F357 HydrophobicContact CD2-CZ 3.74Å; L337-F357 HydrophobicContact CG-CD1 4.28Å; L337-F357 HydrophobicContact CG-CE1 3.69Å; L337-F357 HydrophobicContact CG-CE2 4.39Å; L337-F357 HydrophobicContact CG-CZ 3.76Å; L337-P416 HydrophobicContact CD1-CB 4.24Å; L337-P416 HydrophobicContact CD1-CG 3.92Å
338	Q	97.8	Very high	97.8	Very high	39 Å²	39	52.7 Å²	52.7	18%	0.182	27%	0.266	C	S	.	.	H	α-helix	trans	-71.9	-42.2	172.3	-65.8	-174.3	-63.3	0	0	111.6	F334 Q335 K336 E340 Q341 F343	F334-Q338 HydrophobicContact CD1-CG 4.07Å; F334-Q338 HydrophobicContact CE1-CG 3.97Å; F334-Q338 WeakPolarHBondContact O-CG 3.49Å; F334-Q338 PolarHBondContact O-N 3.39Å; F334-Q338 VanDerWaalsContact O-N 3.08Å; Q335-Q338 WeakPolarHBondContact O-CB 3.42Å; Q335-Q338 PolarHBondContact O-N 3.27Å; Q335-Q338 VanDerWaalsContact O-N 3.11Å; K336-Q338 VanDerWaalsContact C-N 3.32Å; K336-Q338 PolarHBondContact O-N 2.94Å; Q338-E340 VanDerWaalsContact C-N 3.31Å; Q338-E340 PolarHBondContact O-N 3.47Å; Q338-Q341 WeakPolarHBondContact O-CA 2.95Å; Q338-Q341 PolarHBondContact O-N 3.15Å; Q338-Q341 PolarHBondContact O-NE2 3.17Å; Q338-F343 HydrophobicContact CG-CB 3.98Å
339	D	97.9	Very high	97.7	Very high	109 Å²	109	51 Å²	51	58%	0.583	25%	0.251	S	S	*	.	H	α-helix	trans	-62.1	-38.8	178.2	-64.6	-17.2	0	0	0	111.5	Q335 K336 Q341	Q335-D339 PolarHBondContact NE2-OD1 2.83Å; Q335-D339 PolarHBondContact O-N 3.46Å; K336-D339 PolarHBondContact O-N 3.47Å; D339-Q341 PolarHBondContact O-N 3.48Å
340	E	97.1	Very high	97.7	Very high	87 Å²	87	48.7 Å²	48.7	41%	0.407	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.6	5.6	173.7	-64.9	-156.4	-174.8	0	0	113.6	K336 Q338 I342 F357 K360	K336-E340 PolarHBondContact O-N 3.39Å; Q338-E340 VanDerWaalsContact C-N 3.31Å; Q338-E340 PolarHBondContact O-N 3.47Å; E340-I342 HydrophobicContact CB-CD1 4.07Å; E340-I342 HydrophobicContact CB-CG1 4.13Å; E340-I342 PolarHBondContact O-N 2.82Å; E340-F357 HydrophobicContact CG-CE2 4.43Å; E340-F357 WeakPolarHBondContact OE2-CD2 3.25Å; E340-K360 IonicContact OE1-NZ 3.94Å; E340-K360 PolarHBondContact OE1-NZ 3.43Å
341	Q	97.2	Very high	97.7	Very high	125 Å²	125	48.7 Å²	48.7	58%	0.584	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	58.4	24.8	179.3	-63.2	-68	-73.3	0	0	114.3	L337 Q338 D339 R347	L337-Q341 PolarHBondContact O-N 3.16Å; Q338-Q341 WeakPolarHBondContact O-CA 2.95Å; Q338-Q341 PolarHBondContact O-N 3.15Å; Q338-Q341 PolarHBondContact O-NE2 3.17Å; D339-Q341 PolarHBondContact O-N 3.48Å; Q341-R347 PolarHBondContact O-NH2 3.39Å
342	I	98	Very high	97.7	Very high	7 Å²	7	47.4 Å²	47.4	4%	0.036	24%	0.239	C	C	.	.			trans	-85.4	-49	175.4	-55.5	172.8	0	0	0	109	L337 E340 V344 P349 E353 M354 F357	L337-I342 HydrophobicContact CD2-CB 4.23Å; L337-I342 HydrophobicContact CD2-CD1 4.12Å; L337-I342 HydrophobicContact CD2-CG2 4.37Å; L337-I342 PolarHBondContact O-N 2.87Å; E340-I342 HydrophobicContact CB-CD1 4.07Å; E340-I342 HydrophobicContact CB-CG1 4.13Å; E340-I342 PolarHBondContact O-N 2.82Å; I342-V344 PolarHBondContact O-N 3.17Å; I342-P349 HydrophobicContact CG2-CB 3.93Å; I342-P349 HydrophobicContact CG2-CG 4.29Å; I342-E353 HydrophobicContact CG2-CG 4.09Å; I342-M354 HydrophobicContact CB-SD 4.41Å; I342-M354 HydrophobicContact CG2-CG 4.11Å; I342-M354 HydrophobicContact CG2-SD 3.22Å; I342-M354 WeakPolarHBondContact CG2-SD 3.4Å; I342-F357 HydrophobicContact CD1-CB 3.72Å; I342-F357 HydrophobicContact CD1-CD2 3.93Å; I342-F357 HydrophobicContact CD1-CG 3.99Å
343	F	98	Very high	97.6	Very high	3 Å²	3	47.1 Å²	47.1	1%	0.013	23%	0.228	C	C	.	.	S	Bend	trans	-87.5	99.3	175.2	-84.8	18	0	0	0	111.2	F315 F334 L337 Q338 P349 M354 L411 L412 P416	F315-F343 HydrophobicContact CE2-CB 3.81Å; F315-F343 HydrophobicContact CE2-CD2 4.18Å; F315-F343 HydrophobicContact CE2-CG 4.1Å; F315-F343 HydrophobicContact CZ-CB 4.07Å; F334-F343 HydrophobicContact CD1-CD2 4.44Å; F334-F343 AromaticContact CD2-CD2 3.7Å; F334-F343 HydrophobicContact CD2-CD2 3.7Å; F334-F343 AromaticContact CD2-CE2 3.65Å; F334-F343 HydrophobicContact CD2-CE2 3.65Å; F334-F343 HydrophobicContact CE1-CD2 4.29Å; F334-F343 AromaticContact CE2-CD2 3.53Å; F334-F343 HydrophobicContact CE2-CD2 3.53Å; F334-F343 AromaticContact CE2-CE2 3.63Å; F334-F343 HydrophobicContact CE2-CE2 3.63Å; F334-F343 HydrophobicContact CG-CD2 4.16Å; F334-F343 HydrophobicContact CG-CE2 4.43Å; F334-F343 AromaticContact CZ-CD2 3.84Å; F334-F343 HydrophobicContact CZ-CD2 3.84Å; F334-F343 HydrophobicContact CZ-CE2 4.39Å; L337-F343 HydrophobicContact CB-CB 3.93Å; L337-F343 HydrophobicContact CB-CD1 4.03Å; L337-F343 HydrophobicContact CB-CD2 3.81Å; L337-F343 HydrophobicContact CB-CE2 4.33Å; L337-F343 HydrophobicContact CB-CG 3.65Å; L337-F343 HydrophobicContact CD1-CD1 4.34Å; L337-F343 HydrophobicContact CD1-CD2 3.99Å; L337-F343 HydrophobicContact CD1-CE1 3.99Å; L337-F343 HydrophobicContact CD1-CE2 3.62Å; L337-F343 HydrophobicContact CD1-CG 4.34Å; L337-F343 HydrophobicContact CD1-CZ 3.61Å; L337-F343 HydrophobicContact CD2-CD1 4.44Å; L337-F343 HydrophobicContact CD2-CE1 4.43Å; L337-F343 HydrophobicContact CG-CG 4.49Å; L337-F343 PolarHBondContact O-N 3.03Å; Q338-F343 HydrophobicContact CG-CB 3.98Å; F343-P349 HydrophobicContact CD1-CG 3.88Å; F343-P349 HydrophobicContact CE1-CG 4.02Å; F343-M354 HydrophobicContact CD1-SD 4.38Å; F343-M354 HydrophobicContact CE1-CE 4.17Å; F343-M354 HydrophobicContact CE1-SD 3.85Å; F343-L411 WeakPolarHBondContact CZ-O 3.45Å; F343-L412 HydrophobicContact CD2-CD2 4.5Å; F343-L412 HydrophobicContact CE2-CD2 4.02Å; F343-L412 HydrophobicContact CZ-CD2 4.26Å; F343-P416 HydrophobicContact CE2-CG 3.8Å; F343-P416 HydrophobicContact CZ-CG 4.07Å
344	V	97.6	Very high	97.7	Very high	24 Å²	24	47 Å²	47	15%	0.145	23%	0.226	C	C	.	.	B	Isolated β-bridge	trans	-139.2	151.9	177.4	-62.2	0	0	0	0	110.9	W311 I342 T346 R347	W311-V344 PolarHBondContact NE1-O 3.45Å; I342-V344 PolarHBondContact O-N 3.17Å; V344-T346 PolarHBondContact O-N 3.14Å; V344-R347 HydrophobicContact CG2-CG 3.46Å; V344-R347 VanDerWaalsContact CG2-CG 3.46Å
345	E	96	Very high	97.7	Very high	64 Å²	64	46.5 Å²	46.5	30%	0.299	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68	-18.3	-179	-73.7	-176.2	-158.4	0	0	115.1	R312 F315 K316	R312-E345 WeakPolarHBondContact CB-O 3.47Å; R312-E345 HydrophobicContact CG-CB 4.2Å; R312-E345 PolarHBondContact NE-O 3.2Å; F315-E345 HydrophobicContact CD1-CB 4.47Å; F315-E345 HydrophobicContact CD1-CG 3.53Å; F315-E345 HydrophobicContact CE1-CG 3.85Å; K316-E345 WeakPolarHBondContact CE-OE1 3.09Å; K316-E345 WeakPolarHBondContact CE-OE2 3.27Å; K316-E345 HydrophobicContact CG-CG 4.38Å; K316-E345 IonicContact NZ-OE2 3.52Å
346	T	96.8	Very high	97.7	Very high	102 Å²	102	46.1 Å²	46.1	63%	0.626	23%	0.226	S	C	*	.	T	Hydrogen-bonded Turn	trans	-95.9	-11	-166.1	50.9	0	0	0	0	114.4	V308 V344	V308-T346 VanDerWaalsContact CG1-O 3.23Å; V308-T346 WeakPolarHBondContact CG1-O 3.37Å; V344-T346 PolarHBondContact O-N 3.14Å
347	R	96.8	Very high	97.7	Very high	87 Å²	87	41.5 Å²	41.5	33%	0.328	21%	0.206	S	C	.	.	B	Isolated β-bridge	trans	-152.4	148.6	179.7	62.9	-176.1	-167.6	93.9	-6.4	110.3	W311 Q341 V344 E353	W311-R347 PolarHBondContact NE1-O 3.45Å; W311-R347 VanDerWaalsContact NE1-O 3.08Å; Q341-R347 PolarHBondContact O-NH2 3.39Å; V344-R347 HydrophobicContact CG2-CG 3.46Å; V344-R347 VanDerWaalsContact CG2-CG 3.46Å; R347-E353 IonicContact CZ-OE1 2.68Å; R347-E353 IonicContact CZ-OE2 3.69Å; R347-E353 VanDerWaalsContact NH1-CD 3.34Å; R347-E353 IonicContact NH1-OE1 2.83Å; R347-E353 PolarHBondContact NH1-OE1 3.17Å; R347-E353 IonicContact NH1-OE2 3.59Å; R347-E353 PolarHBondContact NH1-OE2 2.86Å; R347-E353 VanDerWaalsContact NH1-OE2 3.16Å; R347-E353 IonicContact NH2-OE1 3.14Å; R347-E353 IonicContact NH2-OE2 2.73Å; R347-E353 PolarHBondContact NH2-OE2 3.49Å
348	L	97.5	Very high	97.7	Very high	4 Å²	4	41.5 Å²	41.5	2%	0.021	21%	0.206	C	C	.	.	P	Polyproline II helix	trans	-71.8	138.4	166	-76.2	83.6	0	0	0	109.2	Y303 V308 W311 V393	Y303-L348 HydrophobicContact CD1-CD2 4Å; Y303-L348 HydrophobicContact CD2-CB 3.65Å; Y303-L348 HydrophobicContact CD2-CD1 4.48Å; Y303-L348 HydrophobicContact CD2-CD2 4.38Å; Y303-L348 HydrophobicContact CD2-CG 4.38Å; Y303-L348 HydrophobicContact CE1-CD2 3.88Å; Y303-L348 HydrophobicContact CE2-CB 3.7Å; Y303-L348 HydrophobicContact CE2-CD2 4.25Å; Y303-L348 HydrophobicContact CG-CB 4.17Å; Y303-L348 HydrophobicContact CG-CD1 4.19Å; Y303-L348 HydrophobicContact CG-CD2 4.24Å; Y303-L348 HydrophobicContact CG-CG 4.43Å; V308-L348 HydrophobicContact CB-CD1 4.26Å; V308-L348 HydrophobicContact CG2-CD1 3.84Å; W311-L348 HydrophobicContact CB-CD1 3.5Å; W311-L348 HydrophobicContact CB-CD2 4.34Å; W311-L348 HydrophobicContact CB-CG 3.66Å; W311-L348 HydrophobicContact CD2-CG 4.11Å; W311-L348 HydrophobicContact CE3-CG 4.32Å; W311-L348 HydrophobicContact CG-CD1 4.01Å; W311-L348 HydrophobicContact CG-CG 3.83Å; L348-V393 HydrophobicContact CD2-CG2 3.48Å; L348-V393 VanDerWaalsContact CD2-CG2 3.48Å
349	P	97.7	Very high	97.7	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	22%	0.216	C	C	.	.	P	Polyproline II helix	trans	-56.7	136.8	165.6	-22.6	28.9	0	0	0	111.9	W311 I342 F343 E353 M354 L411	W311-P349 HydrophobicContact CH2-CG 3.88Å; W311-P349 VanDerWaalsContact CZ2-CD 3.47Å; W311-P349 HydrophobicContact CZ2-CG 3.97Å; I342-P349 HydrophobicContact CG2-CB 3.93Å; I342-P349 HydrophobicContact CG2-CG 4.29Å; F343-P349 HydrophobicContact CD1-CG 3.88Å; F343-P349 HydrophobicContact CE1-CG 4.02Å; P349-E353 WeakPolarHBondContact CA-OE1 3.48Å; P349-M354 HydrophobicContact CB-CG 3.71Å; P349-M354 HydrophobicContact CB-SD 4.03Å; P349-L411 HydrophobicContact CB-CD1 4.04Å; P349-L411 HydrophobicContact CB-CD2 4.08Å; P349-L411 HydrophobicContact CG-CD1 4.07Å
350	Q	97.9	Very high	97.7	Very high	21 Å²	21	46.4 Å²	46.4	10%	0.098	22%	0.218	C	C	.	.	P	Polyproline II helix	trans	-77.7	147	167.1	-64.4	-66.4	-46.3	0	0	109.7	F300 I301 Q352 E353 M354	F300-Q350 HydrophobicContact CD2-CG 3.8Å; F300-Q350 HydrophobicContact CE2-CG 3.66Å; I301-Q350 PolarHBondContact O-NE2 3.32Å; Q350-Q352 PolarHBondContact O-N 3.43Å; Q350-E353 HydrophobicContact CB-CG 4.07Å; Q350-E353 PolarHBondContact N-OE1 3.02Å; Q350-E353 WeakPolarHBondContact O-CG 3.38Å; Q350-E353 PolarHBondContact O-N 3.43Å; Q350-M354 WeakPolarHBondContact O-CG 3.46Å; Q350-M354 PolarHBondContact O-N 3.4Å
351	L	98	Very high	97.7	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	21%	0.213	C	C	.	.	H	α-helix	trans	-65.3	-29.7	178.2	-68.2	-162.7	0	0	0	112.6	I298 S355 L366 P368 Q391 L411	I298-L351 HydrophobicContact CD1-CB 4.19Å; I298-L351 HydrophobicContact CG2-CB 3.68Å; L351-S355 WeakPolarHBondContact O-CB 3.33Å; L351-S355 PolarHBondContact O-N 3.14Å; L351-L366 HydrophobicContact CB-CD1 4.43Å; L351-L366 HydrophobicContact CD2-CD1 3.89Å; L351-P368 HydrophobicContact CD1-CG 4.48Å; L351-Q391 HydrophobicContact CD1-CG 3.28Å; L351-Q391 HydrophobicContact CG-CG 3.75Å; L351-L411 HydrophobicContact CD2-CD2 4.18Å
352	Q	97.8	Very high	97.7	Very high	59 Å²	59	39.4 Å²	39.4	28%	0.276	19%	0.188	S	C	.	.	H	α-helix	trans	-63.2	-50.7	176.9	-173.8	60.6	61.1	0	0	111.8	I298 Q350 M354 S355 D356	I298-Q352 HydrophobicContact CB-CB 4.16Å; Q350-Q352 PolarHBondContact O-N 3.43Å; Q352-M354 VanDerWaalsContact C-N 3.32Å; Q352-M354 PolarHBondContact O-N 2.9Å; Q352-S355 PolarHBondContact O-N 2.95Å; Q352-D356 PolarHBondContact NE2-OD1 3.14Å; Q352-D356 PolarHBondContact NE2-OD2 3.4Å; Q352-D356 PolarHBondContact O-N 3.38Å
353	E	97.6	Very high	97.7	Very high	48 Å²	48	40.7 Å²	40.7	22%	0.224	20%	0.203	C	C	.	.	H	α-helix	trans	-64.6	-38.1	179.2	63.4	-177.9	160.7	0	0	111.7	I342 R347 P349 Q350 D356 F357	I342-E353 HydrophobicContact CG2-CG 4.09Å; R347-E353 IonicContact CZ-OE1 2.68Å; R347-E353 IonicContact CZ-OE2 3.69Å; R347-E353 VanDerWaalsContact NH1-CD 3.34Å; R347-E353 IonicContact NH1-OE1 2.83Å; R347-E353 PolarHBondContact NH1-OE1 3.17Å; R347-E353 IonicContact NH1-OE2 3.59Å; R347-E353 PolarHBondContact NH1-OE2 2.86Å; R347-E353 VanDerWaalsContact NH1-OE2 3.16Å; R347-E353 IonicContact NH2-OE1 3.14Å; R347-E353 IonicContact NH2-OE2 2.73Å; R347-E353 PolarHBondContact NH2-OE2 3.49Å; P349-E353 WeakPolarHBondContact CA-OE1 3.48Å; Q350-E353 HydrophobicContact CB-CG 4.07Å; Q350-E353 PolarHBondContact N-OE1 3.02Å; Q350-E353 WeakPolarHBondContact O-CG 3.38Å; Q350-E353 PolarHBondContact O-N 3.43Å; E353-D356 PolarHBondContact O-N 2.94Å; E353-F357 WeakPolarHBondContact O-CB 3.35Å; E353-F357 PolarHBondContact O-N 3.29Å
354	M	98.3	Very high	97.7	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-65.8	-40.8	174.8	-73.7	-60.9	-46.8	0	0	112	L337 I342 F343 P349 Q350 Q352 D356 F357 L358 L366 L411 M415	L337-M354 HydrophobicContact CD1-CE 4.37Å; L337-M354 HydrophobicContact CD2-CE 3.69Å; L337-M354 HydrophobicContact CD2-SD 3.84Å; I342-M354 HydrophobicContact CB-SD 4.41Å; I342-M354 HydrophobicContact CG2-CG 4.11Å; I342-M354 HydrophobicContact CG2-SD 3.22Å; I342-M354 WeakPolarHBondContact CG2-SD 3.4Å; F343-M354 HydrophobicContact CD1-SD 4.38Å; F343-M354 HydrophobicContact CE1-CE 4.17Å; F343-M354 HydrophobicContact CE1-SD 3.85Å; P349-M354 HydrophobicContact CB-CG 3.71Å; P349-M354 HydrophobicContact CB-SD 4.03Å; Q350-M354 WeakPolarHBondContact O-CG 3.46Å; Q350-M354 PolarHBondContact O-N 3.4Å; Q352-M354 VanDerWaalsContact C-N 3.32Å; Q352-M354 PolarHBondContact O-N 2.9Å; M354-D356 VanDerWaalsContact C-N 3.34Å; M354-F357 PolarHBondContact O-N 2.97Å; M354-L358 VanDerWaalsContact O-CG 3.31Å; M354-L358 WeakPolarHBondContact O-CG 3.42Å; M354-L358 PolarHBondContact O-N 2.96Å; M354-L366 HydrophobicContact CB-CD1 3.64Å; M354-L411 HydrophobicContact CB-CD2 4.43Å; M354-L411 HydrophobicContact CG-CD2 3.62Å; M354-L411 HydrophobicContact SD-CD2 4.39Å; M354-M415 HydrophobicContact CE-CB 3.36Å; M354-M415 HydrophobicContact CE-CG 3.85Å
355	S	98.4	Very high	97.7	Very high	3 Å²	3	39.6 Å²	39.6	2%	0.021	20%	0.197	C	C	.	.	H	α-helix	trans	-63.8	-40.7	175.8	-178.1	0	0	0	0	111.4	L351 Q352 L358 R359 S365 L366	L351-S355 WeakPolarHBondContact O-CB 3.33Å; L351-S355 PolarHBondContact O-N 3.14Å; Q352-S355 PolarHBondContact O-N 2.95Å; S355-L358 PolarHBondContact O-N 3.21Å; S355-R359 WeakPolarHBondContact O-CB 3.32Å; S355-R359 VanDerWaalsContact O-CG 3.32Å; S355-R359 WeakPolarHBondContact O-CG 3.41Å; S355-R359 PolarHBondContact O-N 3.41Å; S355-S365 WeakPolarHBondContact OG-CA 3.18Å; S355-S365 WeakPolarHBondContact OG-CB 3.18Å; S355-L366 PolarHBondContact OG-N 3.01Å
356	D	98.3	Very high	97.8	Very high	85 Å²	85	36.7 Å²	36.7	46%	0.455	18%	0.184	S	C	.	.	H	α-helix	trans	-66.2	-41.1	178.5	-65.8	-23	0	0	0	111.2	Q352 E353 M354 R359 K360	Q352-D356 PolarHBondContact NE2-OD1 3.14Å; Q352-D356 PolarHBondContact NE2-OD2 3.4Å; Q352-D356 PolarHBondContact O-N 3.38Å; E353-D356 PolarHBondContact O-N 2.94Å; M354-D356 VanDerWaalsContact C-N 3.34Å; D356-R359 PolarHBondContact O-N 3.43Å; D356-K360 WeakPolarHBondContact O-CB 3.39Å; D356-K360 PolarHBondContact O-N 2.99Å; D356-K360 VanDerWaalsContact O-N 3.13Å
357	F	98.6	Very high	97.8	Very high	4 Å²	4	32.1 Å²	32.1	2%	0.018	16%	0.155	C	C	.	.	H	α-helix	trans	-59.7	-49.2	172.9	176.2	-95.8	0	0	0	112.1	K336 L337 E340 I342 E353 M354 R359 K360 N361 A419	K336-F357 HydrophobicContact CB-CE2 4.33Å; K336-F357 HydrophobicContact CB-CZ 4.1Å; L337-F357 HydrophobicContact CD1-CE1 4.26Å; L337-F357 HydrophobicContact CD2-CD1 3.49Å; L337-F357 VanDerWaalsContact CD2-CD1 3.49Å; L337-F357 HydrophobicContact CD2-CD2 4.13Å; L337-F357 HydrophobicContact CD2-CE1 3.41Å; L337-F357 VanDerWaalsContact CD2-CE1 3.41Å; L337-F357 HydrophobicContact CD2-CE2 4.09Å; L337-F357 HydrophobicContact CD2-CG 3.85Å; L337-F357 HydrophobicContact CD2-CZ 3.74Å; L337-F357 HydrophobicContact CG-CD1 4.28Å; L337-F357 HydrophobicContact CG-CE1 3.69Å; L337-F357 HydrophobicContact CG-CE2 4.39Å; L337-F357 HydrophobicContact CG-CZ 3.76Å; E340-F357 HydrophobicContact CG-CE2 4.43Å; E340-F357 WeakPolarHBondContact OE2-CD2 3.25Å; I342-F357 HydrophobicContact CD1-CB 3.72Å; I342-F357 HydrophobicContact CD1-CD2 3.93Å; I342-F357 HydrophobicContact CD1-CG 3.99Å; E353-F357 WeakPolarHBondContact O-CB 3.35Å; E353-F357 PolarHBondContact O-N 3.29Å; M354-F357 PolarHBondContact O-N 2.97Å; F357-R359 PolarHBondContact O-N 2.85Å; F357-K360 PolarHBondContact O-N 2.82Å; F357-N361 PolarHBondContact O-N 2.8Å; F357-N361 PolarHBondContact O-ND2 2.94Å; F357-A419 HydrophobicContact CD1-CB 4.37Å; F357-A419 HydrophobicContact CE1-CB 3.53Å; F357-A419 HydrophobicContact CZ-CB 4.26Å
358	L	98.7	Very high	97.8	Very high	0 Å²	0	28 Å²	28	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-63.9	-40.9	179.3	-70	175.1	0	0	0	111.9	M354 S355 K360 N361 T362 G363 F364 L366 M415 L418 A419	M354-L358 VanDerWaalsContact O-CG 3.31Å; M354-L358 WeakPolarHBondContact O-CG 3.42Å; M354-L358 PolarHBondContact O-N 2.96Å; S355-L358 PolarHBondContact O-N 3.21Å; L358-K360 VanDerWaalsContact C-N 3.29Å; L358-K360 PolarHBondContact O-N 3.01Å; L358-N361 PolarHBondContact O-N 3.04Å; L358-N361 VanDerWaalsContact O-N 3.13Å; L358-T362 PolarHBondContact O-N 3.36Å; L358-T362 PolarHBondContact O-OG1 3.14Å; L358-G363 PolarHBondContact O-N 2.85Å; L358-F364 CarbonylContact C-O 3.56Å; L358-F364 HydrophobicContact CB-CB 3.98Å; L358-F364 WeakPolarHBondContact CB-O 3.5Å; L358-F364 HydrophobicContact CD1-CB 4.44Å; L358-L366 HydrophobicContact CD1-CD1 4.42Å; L358-L366 HydrophobicContact CD1-CD2 3.64Å; L358-L366 HydrophobicContact CD1-CG 4.02Å; L358-M415 HydrophobicContact CD1-SD 3.94Å; L358-M415 WeakPolarHBondContact CD2-O 3.41Å; L358-L418 HydrophobicContact CD1-CB 4.44Å; L358-L418 HydrophobicContact CD2-CB 3.84Å; L358-A419 HydrophobicContact CD2-CB 3.89Å
359	R	97.3	Very high	97.5	Very high	105 Å²	105	28 Å²	28	40%	0.396	14%	0.14	S	C	.	.	H	α-helix	trans	-61	-41.3	179.4	-80	-175.7	-178.2	-91.8	-1.2	111	S355 D356 F357 N361 G363 F364 S365 E543	S355-R359 WeakPolarHBondContact O-CB 3.32Å; S355-R359 VanDerWaalsContact O-CG 3.32Å; S355-R359 WeakPolarHBondContact O-CG 3.41Å; S355-R359 PolarHBondContact O-N 3.41Å; D356-R359 PolarHBondContact O-N 3.43Å; F357-R359 PolarHBondContact O-N 2.85Å; R359-N361 VanDerWaalsContact C-N 3.34Å; R359-N361 PolarHBondContact O-N 3.12Å; R359-G363 WeakPolarHBondContact O-CA 3.46Å; R359-G363 PolarHBondContact O-N 2.72Å; R359-F364 VanDerWaalsContact CA-O 3.23Å; R359-F364 WeakPolarHBondContact CA-O 3.23Å; R359-F364 VanDerWaalsContact CG-O 3.23Å; R359-F364 WeakPolarHBondContact CG-O 3.23Å; R359-F364 PolarHBondContact N-O 2.71Å; R359-S365 VanDerWaalsContact CZ-CB 3.44Å; R359-S365 PolarHBondContact NH2-OG 2.75Å; R359-E543 IonicContact NH1-OE1 3.88Å
360	K	97.2	Very high	97	Very high	147 Å²	147	28.8 Å²	28.8	64%	0.639	15%	0.147	S	C	*	.	H	α-helix	trans	-65.5	-32.3	177.5	179.4	-175.3	168.6	-162.6	0	113.2	E340 D356 F357 L358	E340-K360 IonicContact OE1-NZ 3.94Å; E340-K360 PolarHBondContact OE1-NZ 3.43Å; D356-K360 WeakPolarHBondContact O-CB 3.39Å; D356-K360 PolarHBondContact O-N 2.99Å; D356-K360 VanDerWaalsContact O-N 3.13Å; F357-K360 PolarHBondContact O-N 2.82Å; L358-K360 VanDerWaalsContact C-N 3.29Å; L358-K360 PolarHBondContact O-N 3.01Å
361	N	97.6	Very high	96.5	Very high	54 Å²	54	28.2 Å²	28.2	29%	0.289	15%	0.146	S	C	.	.	H	α-helix	trans	-94.4	-45.5	-174	-75.9	-86.5	0	0	0	113.5	F357 L358 R359 A419	F357-N361 PolarHBondContact O-N 2.8Å; F357-N361 PolarHBondContact O-ND2 2.94Å; L358-N361 PolarHBondContact O-N 3.04Å; L358-N361 VanDerWaalsContact O-N 3.13Å; R359-N361 VanDerWaalsContact C-N 3.34Å; R359-N361 PolarHBondContact O-N 3.12Å; N361-A419 HydrophobicContact CB-CB 4.39Å
362	T	98.2	Very high	95.9	Very high	10 Å²	10	30.9 Å²	30.9	6%	0.061	16%	0.16	C	C	.	.	H	α-helix	trans	-135	-0.3	-171.6	59.4	0	0	0	0	113.3	L358 F364 R385 L418 A419 P421 A424	L358-T362 PolarHBondContact O-N 3.36Å; L358-T362 PolarHBondContact O-OG1 3.14Å; T362-F364 PolarHBondContact O-N 3.31Å; T362-F364 PolarHBondContact OG1-N 3.3Å; T362-R385 VanDerWaalsContact O-CD 3.31Å; T362-R385 WeakPolarHBondContact O-CD 3.35Å; T362-R385 PolarHBondContact O-NH1 2.96Å; T362-L418 WeakPolarHBondContact CB-O 3.5Å; T362-L418 WeakPolarHBondContact CG2-O 3.39Å; T362-L418 PolarHBondContact OG1-O 3.19Å; T362-A419 VanDerWaalsContact CG2-C 3.41Å; T362-A419 VanDerWaalsContact CG2-O 3.29Å; T362-A419 WeakPolarHBondContact CG2-O 3.26Å; T362-P421 HydrophobicContact CG2-CG 4.44Å; T362-A424 HydrophobicContact CG2-CB 3.84Å
363	G	97	Very high	95.4	Very high	35 Å²	35	28.8 Å²	28.8	36%	0.361	15%	0.151	S	C	.	.	S	Bend	trans	73.2	3.7	-172.1	0	0	0	0	0	113.6	L358 R359	L358-G363 PolarHBondContact O-N 2.85Å; R359-G363 WeakPolarHBondContact O-CA 3.46Å; R359-G363 PolarHBondContact O-N 2.72Å
364	F	98.3	Very high	95	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	15%	0.148	C	C	.	.			trans	-67.5	149.5	169.5	-97.8	-96.9	0	0	0	111.5	L358 R359 T362 L382 R385 F387 L418 A424	L358-F364 CarbonylContact C-O 3.56Å; L358-F364 HydrophobicContact CB-CB 3.98Å; L358-F364 WeakPolarHBondContact CB-O 3.5Å; L358-F364 HydrophobicContact CD1-CB 4.44Å; R359-F364 VanDerWaalsContact CA-O 3.23Å; R359-F364 WeakPolarHBondContact CA-O 3.23Å; R359-F364 VanDerWaalsContact CG-O 3.23Å; R359-F364 WeakPolarHBondContact CG-O 3.23Å; R359-F364 PolarHBondContact N-O 2.71Å; T362-F364 PolarHBondContact O-N 3.31Å; T362-F364 PolarHBondContact OG1-N 3.3Å; F364-L382 HydrophobicContact CE1-CD2 4.22Å; F364-R385 CarbonylContact C-O 3.48Å; F364-R385 WeakPolarHBondContact CA-O 3.37Å; F364-R385 HydrophobicContact CB-CB 4.43Å; F364-R385 HydrophobicContact CD1-CB 4.05Å; F364-R385 VanDerWaalsContact CD1-O 3.31Å; F364-R385 WeakPolarHBondContact CD1-O 3.45Å; F364-R385 HydrophobicContact CD2-CB 3.6Å; F364-R385 HydrophobicContact CD2-CG 3.79Å; F364-R385 HydrophobicContact CE1-CB 4.16Å; F364-R385 HydrophobicContact CE2-CB 3.69Å; F364-R385 HydrophobicContact CE2-CG 3.53Å; F364-R385 HydrophobicContact CG-CB 3.78Å; F364-R385 HydrophobicContact CG-CG 4.47Å; F364-R385 HydrophobicContact CZ-CB 3.98Å; F364-R385 HydrophobicContact CZ-CG 4.06Å; F364-F387 HydrophobicContact CD1-CB 4.45Å; F364-L418 HydrophobicContact CD1-CD1 4.29Å; F364-L418 HydrophobicContact CD1-CD2 4Å; F364-L418 HydrophobicContact CE1-CD2 3.8Å; F364-L418 HydrophobicContact CE2-CD2 4.44Å; F364-L418 HydrophobicContact CG-CD2 4.4Å; F364-L418 HydrophobicContact CZ-CD2 4.04Å; F364-A424 HydrophobicContact CD2-CB 3.71Å; F364-A424 HydrophobicContact CE2-CB 3.67Å; F364-A424 VanDerWaalsContact CE2-O 3.29Å; F364-A424 WeakPolarHBondContact CE2-O 3.43Å
365	S	97.8	Very high	94.6	Very high	4 Å²	4	29.3 Å²	29.3	3%	0.028	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	163.2	174.3	61.3	0	0	0	0	110.8	S355 R359 R385 I386 F387	S355-S365 WeakPolarHBondContact OG-CA 3.18Å; S355-S365 WeakPolarHBondContact OG-CB 3.18Å; R359-S365 VanDerWaalsContact CZ-CB 3.44Å; R359-S365 PolarHBondContact NH2-OG 2.75Å; S365-R385 PolarHBondContact N-O 3.47Å; S365-I386 WeakPolarHBondContact O-CA 3.33Å; S365-I386 WeakPolarHBondContact OG-CG1 3.19Å; S365-F387 PolarHBondContact O-N 3.12Å
366	L	98.1	Very high	94.3	Very high	3 Å²	3	31.6 Å²	31.6	2%	0.016	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	147.1	-177.7	-54.4	-174.5	0	0	0	111.1	I298 L351 M354 S355 L358 F387 M415	I298-L366 HydrophobicContact CD1-CB 4.15Å; I298-L366 VanDerWaalsContact CD1-O 3.26Å; I298-L366 WeakPolarHBondContact CD1-O 3.5Å; L351-L366 HydrophobicContact CB-CD1 4.43Å; L351-L366 HydrophobicContact CD2-CD1 3.89Å; M354-L366 HydrophobicContact CB-CD1 3.64Å; S355-L366 PolarHBondContact OG-N 3.01Å; L358-L366 HydrophobicContact CD1-CD1 4.42Å; L358-L366 HydrophobicContact CD1-CD2 3.64Å; L358-L366 HydrophobicContact CD1-CG 4.02Å; L366-F387 WeakPolarHBondContact CA-O 3.44Å; L366-F387 HydrophobicContact CD2-CB 3.88Å; L366-F387 HydrophobicContact CD2-CD1 4.37Å; L366-M415 HydrophobicContact CD1-CE 4.33Å; L366-M415 HydrophobicContact CD1-SD 3.99Å; L366-M415 HydrophobicContact CD2-CE 3.97Å; L366-M415 HydrophobicContact CD2-SD 3.58Å; L366-M415 VanDerWaalsContact CD2-SD 3.58Å; L366-M415 HydrophobicContact CG-SD 4.43Å
367	R	96.8	Very high	94	Very high	5 Å²	5	28.1 Å²	28.1	2%	0.019	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	127.1	171.9	172.6	176.1	-176.7	96.9	11.8	108.5	D253 Y292 A369 I386 F387 Q388 S389	D253-R367 IonicContact OD1-CZ 2.84Å; D253-R367 IonicContact OD1-NH1 3.71Å; D253-R367 PolarHBondContact OD1-NH1 3.01Å; D253-R367 IonicContact OD1-NH2 2.99Å; D253-R367 PolarHBondContact OD1-NH2 3.17Å; Y292-R367 HydrophobicContact CD1-CG 4.15Å; Y292-R367 HydrophobicContact CE1-CB 4.47Å; Y292-R367 HydrophobicContact CE1-CG 3.84Å; R367-A369 PolarHBondContact O-N 3.39Å; R367-I386 HydrophobicContact CB-CG2 3.62Å; R367-F387 PolarHBondContact N-O 3.33Å; R367-Q388 HydrophobicContact CB-CG 4.45Å; R367-Q388 CarbonylContact O-C 3.11Å; R367-Q388 VanDerWaalsContact O-CA 3.32Å; R367-Q388 WeakPolarHBondContact O-CA 3.31Å; R367-S389 PolarHBondContact O-N 3.45Å
368	P	96	Very high	93.8	Very high	1 Å²	1	29.4 Å²	29.4	1%	0.006	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-57.6	125.8	175	-28.2	37.2	0	0	0	112.4	A289 Y292 I298 L351 S389	A289-P368 HydrophobicContact CB-CB 3.87Å; Y292-P368 HydrophobicContact CD2-CG 4.32Å; Y292-P368 HydrophobicContact CG-CG 4.18Å; I298-P368 HydrophobicContact CG2-CG 3.63Å; L351-P368 HydrophobicContact CD1-CG 4.48Å; P368-S389 CarbonylContact C-O 3.54Å; P368-S389 WeakPolarHBondContact CA-O 3.39Å
369	A	92.5	Very high	93.7	Very high	5 Å²	5	29.5 Å²	29.5	4%	0.041	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	135.7	171.4	0	0	0	0	0	110.1	R367 G371 L373 Q388 S389 T390	R367-A369 PolarHBondContact O-N 3.39Å; A369-G371 VanDerWaalsContact C-N 3.26Å; A369-G371 PolarHBondContact O-N 2.98Å; A369-L373 HydrophobicContact CB-CD1 4.45Å; A369-Q388 HydrophobicContact CB-CB 4.16Å; A369-S389 PolarHBondContact N-O 2.68Å; A369-T390 HydrophobicContact CB-CG2 4.11Å
370	A	87.5	Confident	93.6	Very high	16 Å²	16	24.8 Å²	24.8	13%	0.132	14%	0.14	C	C	.	.	S	Bend	trans	-76.7	-15.2	177.5	0	0	0	0	0	113.1	L258 A286 A289 F290	L258-A370 HydrophobicContact CD1-CB 3.97Å; A286-A370 HydrophobicContact CB-CB 4.12Å; A289-A370 HydrophobicContact CB-CB 3.96Å; F290-A370 HydrophobicContact CD1-CB 4.37Å; F290-A370 HydrophobicContact CD2-CB 4.16Å; F290-A370 HydrophobicContact CE1-CB 4.01Å; F290-A370 HydrophobicContact CE2-CB 3.78Å; F290-A370 HydrophobicContact CG-CB 4.44Å; F290-A370 HydrophobicContact CZ-CB 3.72Å
371	G	86.9	Confident	93.7	Very high	9 Å²	9	17.8 Å²	17.8	9%	0.093	11%	0.11	C	C	.	.	S	Bend	trans	170.3	-163.5	-178.8	0	0	0	0	0	110.1	A369 L373	A369-G371 VanDerWaalsContact C-N 3.26Å; A369-G371 PolarHBondContact O-N 2.98Å; G371-L373 PolarHBondContact O-N 2.94Å
372	L	85.8	Confident	93.7	Very high	56 Å²	56	15.3 Å²	15.3	29%	0.293	10%	0.096	S	C	.	.	P	Polyproline II helix	trans	-67.2	125.1	-179.2	-174	66.3	0	0	0	111.7	L258 M259 Y262 P405	L258-L372 CarbonylContact C-O 3.6Å; L258-L372 VanDerWaalsContact CA-O 3.31Å; L258-L372 WeakPolarHBondContact CA-O 3.44Å; M259-L372 HydrophobicContact CB-CB 4.31Å; M259-L372 HydrophobicContact CB-CD2 4.1Å; M259-L372 HydrophobicContact CB-CG 4.24Å; M259-L372 HydrophobicContact CG-CD2 4.42Å; M259-L372 HydrophobicContact CG-CG 4.42Å; M259-L372 PolarHBondContact N-O 3.38Å; Y262-L372 HydrophobicContact CD2-CD2 3.65Å; Y262-L372 HydrophobicContact CE2-CD2 3.39Å; L372-P405 HydrophobicContact CD1-CG 4.46Å
373	L	87.6	Confident	93.7	Very high	15 Å²	15	14.8 Å²	14.8	8%	0.079	9%	0.093	C	C	.	.	B	Isolated β-bridge	trans	-89.3	162.1	178.3	-68.6	156.9	0	0	0	111.8	H257 L258 A369 G371 F378 Q388	H257-L373 CarbonylContact O-C 3.56Å; H257-L373 WeakPolarHBondContact O-CA 3.43Å; L258-L373 HydrophobicContact CD2-CD2 3.86Å; L258-L373 HydrophobicContact CD2-CG 4.28Å; A369-L373 HydrophobicContact CB-CD1 4.45Å; G371-L373 PolarHBondContact O-N 2.94Å; L373-F378 HydrophobicContact CB-CB 4.11Å; L373-F378 HydrophobicContact CD1-CB 4.5Å; L373-F378 HydrophobicContact CD1-CD2 4.39Å; L373-Q388 HydrophobicContact CD1-CB 3.54Å; L373-Q388 HydrophobicContact CD1-CG 3.8Å; L373-Q388 VanDerWaalsContact CD1-OE1 3.28Å
374	T	88.4	Confident	93.7	Very high	27 Å²	27	13.6 Å²	13.6	17%	0.166	8%	0.078	C	C	.	.	P	Polyproline II helix	trans	-61.4	147	163.8	64.5	0	0	0	0	110.5	H257 M259 R376 D377 F378	H257-T374 HydrophobicContact CB-CG2 3.72Å; H257-T374 PolarHBondContact O-N 3.44Å; M259-T374 HydrophobicContact CE-CG2 3.51Å; M259-T374 HydrophobicContact SD-CG2 4.2Å; T374-R376 PolarHBondContact O-N 2.96Å; T374-D377 PolarHBondContact O-N 3.42Å; T374-D377 VanDerWaalsContact O-N 3.14Å; T374-D377 PolarHBondContact OG1-N 3.43Å; T374-F378 PolarHBondContact O-N 3.29Å
375	A	90.2	Very high	93.7	Very high	32 Å²	32	16.3 Å²	16.3	26%	0.264	9%	0.088	S	C	.	.	H	α-helix	trans	-54	-39	176.9	0	0	0	0	0	112.2	D377 L379 I442	A375-D377 PolarHBondContact O-N 3.23Å; A375-L379 WeakPolarHBondContact O-CB 3.32Å; A375-L379 WeakPolarHBondContact O-CG 3.43Å; A375-L379 PolarHBondContact O-N 3.41Å; A375-I442 HydrophobicContact CB-CG2 3.82Å
376	R	92.3	Very high	93.7	Very high	51 Å²	51	16.5 Å²	16.5	19%	0.192	9%	0.089	C	C	.	.	H	α-helix	trans	-58.7	-48.8	178	-177.6	174	-67.2	-70.5	1.7	112.4	T374 A380 A437 D439 I442	T374-R376 PolarHBondContact O-N 2.96Å; R376-A380 VanDerWaalsContact O-CB 3.22Å; R376-A380 WeakPolarHBondContact O-CB 3.39Å; R376-A380 PolarHBondContact O-N 3.32Å; R376-A380 VanDerWaalsContact O-N 3.14Å; R376-A437 PolarHBondContact NH1-O 3.44Å; R376-A437 PolarHBondContact NH2-O 3.04Å; R376-D439 IonicContact CZ-OD1 3.48Å; R376-D439 IonicContact NE-OD1 3.45Å; R376-D439 IonicContact NH2-OD1 3.29Å; R376-D439 PolarHBondContact NH2-OD1 3.49Å; R376-I442 HydrophobicContact CB-CG2 4.32Å
377	D	91	Very high	93.7	Very high	11 Å²	11	16.5 Å²	16.5	6%	0.059	9%	0.089	C	C	.	.	H	α-helix	trans	-72.3	-41.5	-178.2	-80.4	-0.2	0	0	0	112.5	C255 N256 H257 T374 A375 S381	C255-D377 VanDerWaalsContact CA-CG 3.45Å; C255-D377 VanDerWaalsContact CA-OD2 3.28Å; C255-D377 WeakPolarHBondContact CA-OD2 3.31Å; C255-D377 HydrophobicContact CB-CB 3.87Å; N256-D377 PolarHBondContact N-OD2 3.09Å; N256-D377 VanDerWaalsContact N-OD2 3.1Å; H257-D377 WeakPolarHBondContact CB-OD2 3.47Å; H257-D377 IonicContact CE1-OD2 3.36Å; H257-D377 IonicContact CG-OD2 3.38Å; H257-D377 PolarHBondContact N-OD2 2.93Å; H257-D377 IonicContact ND1-OD1 3.16Å; H257-D377 IonicContact ND1-OD2 3.51Å; H257-D377 PolarHBondContact ND1-OD2 2.92Å; T374-D377 PolarHBondContact O-N 3.42Å; T374-D377 VanDerWaalsContact O-N 3.14Å; T374-D377 PolarHBondContact OG1-N 3.43Å; A375-D377 PolarHBondContact O-N 3.23Å; D377-S381 PolarHBondContact O-N 2.79Å; D377-S381 PolarHBondContact O-OG 2.84Å
378	F	94.7	Very high	93.7	Very high	32 Å²	32	16.4 Å²	16.4	14%	0.14	9%	0.088	C	C	.	.	H	α-helix	trans	-64.2	-53	178.9	178.4	-98.3	0	0	0	111.2	L373 T374 A380 S381 L382 F387 Q388 Y449	L373-F378 HydrophobicContact CB-CB 4.11Å; L373-F378 HydrophobicContact CD1-CB 4.5Å; L373-F378 HydrophobicContact CD1-CD2 4.39Å; T374-F378 PolarHBondContact O-N 3.29Å; F378-A380 VanDerWaalsContact C-N 3.32Å; F378-A380 PolarHBondContact O-N 3Å; F378-S381 VanDerWaalsContact O-CB 3.27Å; F378-S381 WeakPolarHBondContact O-CB 3.46Å; F378-S381 PolarHBondContact O-N 3.22Å; F378-L382 HydrophobicContact CE1-CD1 4.16Å; F378-F387 HydrophobicContact CE2-CE1 4.42Å; F378-F387 HydrophobicContact CE2-CE2 4.17Å; F378-F387 HydrophobicContact CE2-CZ 4.09Å; F378-F387 HydrophobicContact CZ-CD2 4.2Å; F378-F387 AromaticContact CZ-CE2 3.67Å; F378-F387 HydrophobicContact CZ-CE2 3.67Å; F378-F387 AromaticContact CZ-CZ 3.92Å; F378-F387 HydrophobicContact CZ-CZ 3.92Å; F378-Q388 HydrophobicContact CD2-CB 4.18Å; F378-Q388 HydrophobicContact CE2-CB 4.45Å; F378-Y449 AromaticContact CE1-CE1 3.74Å; F378-Y449 HydrophobicContact CE1-CE1 3.74Å; F378-Y449 AromaticContact CE1-CE2 3.98Å; F378-Y449 HydrophobicContact CE1-CE2 3.98Å; F378-Y449 AromaticContact CE1-CZ 3.44Å; F378-Y449 VanDerWaalsContact CE1-CZ 3.44Å; F378-Y449 WeakPolarHBondContact CE1-OH 3.29Å; F378-Y449 HydrophobicContact CZ-CE1 4.35Å; F378-Y449 AromaticContact CZ-CZ 3.92Å; F378-Y449 WeakPolarHBondContact CZ-OH 3.45Å
379	L	96.3	Very high	93.7	Very high	2 Å²	2	16.3 Å²	16.3	1%	0.01	9%	0.088	C	C	.	.	H	α-helix	trans	-62.7	-38.9	-179.4	-64.1	178	0	0	0	111.7	A375 S381 L382 I430 G431 L445 Y449	A375-L379 WeakPolarHBondContact O-CB 3.32Å; A375-L379 WeakPolarHBondContact O-CG 3.43Å; A375-L379 PolarHBondContact O-N 3.41Å; L379-S381 PolarHBondContact O-N 3.13Å; L379-S381 VanDerWaalsContact O-N 3.15Å; L379-L382 HydrophobicContact CD2-CD1 4.04Å; L379-L382 WeakPolarHBondContact O-CB 3.26Å; L379-L382 PolarHBondContact O-N 3.18Å; L379-I430 HydrophobicContact CD2-CG2 3.86Å; L379-G431 WeakPolarHBondContact O-CA 3.34Å; L379-L445 HydrophobicContact CD1-CB 3.95Å; L379-Y449 HydrophobicContact CD2-CD2 3.88Å; L379-Y449 HydrophobicContact CD2-CE2 4.47Å; L379-Y449 HydrophobicContact CD2-CG 4.09Å
380	A	96.2	Very high	93.9	Very high	6 Å²	6	16.3 Å²	16.3	5%	0.05	9%	0.087	C	C	.	.	H	α-helix	trans	-58.5	-30.2	176.3	0	0	0	0	0	112.7	P246 R376 F378 A383 F384 S434 L435	P246-A380 HydrophobicContact CG-CB 4.04Å; R376-A380 VanDerWaalsContact O-CB 3.22Å; R376-A380 WeakPolarHBondContact O-CB 3.39Å; R376-A380 PolarHBondContact O-N 3.32Å; R376-A380 VanDerWaalsContact O-N 3.14Å; F378-A380 VanDerWaalsContact C-N 3.32Å; F378-A380 PolarHBondContact O-N 3Å; A380-A383 VanDerWaalsContact O-CB 3.32Å; A380-A383 WeakPolarHBondContact O-CB 3.48Å; A380-A383 PolarHBondContact O-N 3.37Å; A380-F384 VanDerWaalsContact O-CD2 3.29Å; A380-F384 WeakPolarHBondContact O-CD2 3.49Å; A380-S434 PolarHBondContact N-OG 3.37Å; A380-L435 HydrophobicContact CB-CD2 3.83Å
381	S	97.7	Very high	94.3	Very high	0 Å²	0	15.6 Å²	15.6	0%	0	8%	0.081	C	C	.	.	H	α-helix	trans	-69	-36.7	178.2	-52.5	0	0	0	0	112	D377 F378 L379 A383 F384 I386 Q388	D377-S381 PolarHBondContact O-N 2.79Å; D377-S381 PolarHBondContact O-OG 2.84Å; F378-S381 VanDerWaalsContact O-CB 3.27Å; F378-S381 WeakPolarHBondContact O-CB 3.46Å; F378-S381 PolarHBondContact O-N 3.22Å; L379-S381 PolarHBondContact O-N 3.13Å; L379-S381 VanDerWaalsContact O-N 3.15Å; S381-A383 PolarHBondContact O-N 2.89Å; S381-F384 PolarHBondContact O-N 3.08Å; S381-I386 CarbonylContact C-O 3.52Å; S381-I386 WeakPolarHBondContact CB-O 3.36Å; S381-I386 PolarHBondContact O-N 3.4Å; S381-I386 VanDerWaalsContact O-N 3.08Å; S381-I386 VanDerWaalsContact O-O 3.08Å; S381-Q388 PolarHBondContact OG-NE2 3.28Å
382	L	98.3	Very high	94.7	Very high	1 Å²	1	15.3 Å²	15.3	1%	0.005	8%	0.077	C	C	.	.	H	α-helix	trans	-61.7	-27.8	178.1	-58.3	179.3	0	0	0	112.3	F364 F378 L379 F384 R385 I386 F387 Q428 Y449	F364-L382 HydrophobicContact CE1-CD2 4.22Å; F378-L382 HydrophobicContact CE1-CD1 4.16Å; L379-L382 HydrophobicContact CD2-CD1 4.04Å; L379-L382 WeakPolarHBondContact O-CB 3.26Å; L379-L382 PolarHBondContact O-N 3.18Å; L382-F384 PolarHBondContact O-N 3.3Å; L382-R385 PolarHBondContact O-N 2.81Å; L382-I386 PolarHBondContact N-O 3.49Å; L382-F387 HydrophobicContact CD2-CD2 4Å; L382-Q428 WeakPolarHBondContact O-CA 3.33Å; L382-Y449 HydrophobicContact CD1-CD2 4.15Å; L382-Y449 HydrophobicContact CD1-CE2 3.59Å
383	A	97.7	Very high	95.1	Very high	0 Å²	0	12.8 Å²	12.8	0%	0	6%	0.064	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.6	-30.5	176.2	0	0	0	0	0	112.6	A380 S381 R385 Q428 L432 L435	A380-A383 VanDerWaalsContact O-CB 3.32Å; A380-A383 WeakPolarHBondContact O-CB 3.48Å; A380-A383 PolarHBondContact O-N 3.37Å; S381-A383 PolarHBondContact O-N 2.89Å; A383-R385 VanDerWaalsContact C-N 3.35Å; A383-Q428 PolarHBondContact O-NE2 3.44Å; A383-L432 HydrophobicContact CB-CD2 4.01Å; A383-L432 HydrophobicContact CB-CG 4.28Å; A383-L435 HydrophobicContact CB-CD1 3.7Å; A383-L435 HydrophobicContact CB-CD2 4.19Å; A383-L435 HydrophobicContact CB-CG 4.06Å
384	F	97.7	Very high	95.4	Very high	9 Å²	9	12.6 Å²	12.6	4%	0.039	6%	0.062	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.2	9.2	178.5	-59.2	-88.8	0	0	0	112.8	P246 H248 A249 L252 A380 S381 L382 I386 F538 V545	P246-F384 HydrophobicContact CB-CE2 4.05Å; P246-F384 HydrophobicContact CB-CZ 4.11Å; P246-F384 HydrophobicContact CG-CE2 3.8Å; P246-F384 HydrophobicContact CG-CZ 4.29Å; P246-F384 WeakPolarHBondContact O-CZ 3.41Å; H248-F384 VanDerWaalsContact C-CE1 3.43Å; A249-F384 HydrophobicContact CB-CB 4.36Å; A249-F384 HydrophobicContact CB-CD1 3.94Å; A249-F384 HydrophobicContact CB-CG 4.28Å; L252-F384 HydrophobicContact CD1-CB 4.42Å; L252-F384 HydrophobicContact CD1-CD2 4.08Å; L252-F384 HydrophobicContact CD1-CG 4.39Å; L252-F384 HydrophobicContact CD2-CD2 4.13Å; L252-F384 HydrophobicContact CD2-CE2 4.23Å; L252-F384 HydrophobicContact CG-CD2 4.32Å; A380-F384 VanDerWaalsContact O-CD2 3.29Å; A380-F384 WeakPolarHBondContact O-CD2 3.49Å; S381-F384 PolarHBondContact O-N 3.08Å; L382-F384 PolarHBondContact O-N 3.3Å; F384-I386 HydrophobicContact CB-CB 4.48Å; F384-I386 HydrophobicContact CB-CD1 3.86Å; F384-I386 HydrophobicContact CB-CG1 4.09Å; F384-I386 PolarHBondContact O-N 2.88Å; F384-F538 HydrophobicContact CB-CE2 4.34Å; F384-F538 HydrophobicContact CD1-CD2 4.37Å; F384-F538 AromaticContact CD1-CE2 3.87Å; F384-F538 HydrophobicContact CD1-CE2 3.87Å; F384-F538 HydrophobicContact CG-CE2 4.46Å; F384-V545 HydrophobicContact CD1-CG2 4.33Å; F384-V545 HydrophobicContact CE1-CB 4.38Å; F384-V545 HydrophobicContact CE1-CG2 3.61Å; F384-V545 HydrophobicContact CE2-CG2 4.17Å; F384-V545 HydrophobicContact CZ-CB 4.24Å; F384-V545 HydrophobicContact CZ-CG2 3.51Å
385	R	97.9	Very high	95.6	Very high	58 Å²	58	11.9 Å²	11.9	22%	0.219	6%	0.057	C	C	.	.	T	Hydrogen-bonded Turn	trans	52.9	38.8	-166.6	-59	-165.9	173.2	161.2	1.6	112	T362 F364 S365 L382 A383 Q428	T362-R385 VanDerWaalsContact O-CD 3.31Å; T362-R385 WeakPolarHBondContact O-CD 3.35Å; T362-R385 PolarHBondContact O-NH1 2.96Å; F364-R385 CarbonylContact C-O 3.48Å; F364-R385 WeakPolarHBondContact CA-O 3.37Å; F364-R385 HydrophobicContact CB-CB 4.43Å; F364-R385 HydrophobicContact CD1-CB 4.05Å; F364-R385 VanDerWaalsContact CD1-O 3.31Å; F364-R385 WeakPolarHBondContact CD1-O 3.45Å; F364-R385 HydrophobicContact CD2-CB 3.6Å; F364-R385 HydrophobicContact CD2-CG 3.79Å; F364-R385 HydrophobicContact CE1-CB 4.16Å; F364-R385 HydrophobicContact CE2-CB 3.69Å; F364-R385 HydrophobicContact CE2-CG 3.53Å; F364-R385 HydrophobicContact CG-CB 3.78Å; F364-R385 HydrophobicContact CG-CG 4.47Å; F364-R385 HydrophobicContact CZ-CB 3.98Å; F364-R385 HydrophobicContact CZ-CG 4.06Å; S365-R385 PolarHBondContact N-O 3.47Å; L382-R385 PolarHBondContact O-N 2.81Å; A383-R385 VanDerWaalsContact C-N 3.35Å; R385-Q428 HydrophobicContact CG-CB 4.28Å; R385-Q428 HydrophobicContact CG-CG 4.16Å; R385-Q428 VanDerWaalsContact CZ-OE1 3.29Å
386	I	98.1	Very high	95.6	Very high	8 Å²	8	13.2 Å²	13.2	4%	0.041	6%	0.062	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	117.3	175.4	-67.3	168.6	0	0	0	107.9	A249 L252 S365 R367 S381 L382 F384	A249-I386 HydrophobicContact CB-CD1 3.69Å; L252-I386 HydrophobicContact CD1-CB 4.01Å; L252-I386 HydrophobicContact CD1-CD1 3.56Å; L252-I386 HydrophobicContact CD1-CG1 4.35Å; L252-I386 HydrophobicContact CD1-CG2 4.1Å; S365-I386 WeakPolarHBondContact O-CA 3.33Å; S365-I386 WeakPolarHBondContact OG-CG1 3.19Å; R367-I386 HydrophobicContact CB-CG2 3.62Å; S381-I386 CarbonylContact C-O 3.52Å; S381-I386 WeakPolarHBondContact CB-O 3.36Å; S381-I386 PolarHBondContact O-N 3.4Å; S381-I386 VanDerWaalsContact O-N 3.08Å; S381-I386 VanDerWaalsContact O-O 3.08Å; L382-I386 PolarHBondContact N-O 3.49Å; F384-I386 HydrophobicContact CB-CB 4.48Å; F384-I386 HydrophobicContact CB-CD1 3.86Å; F384-I386 HydrophobicContact CB-CG1 4.09Å; F384-I386 PolarHBondContact O-N 2.88Å
387	F	98.3	Very high	95.4	Very high	2 Å²	2	17 Å²	17	1%	0.009	9%	0.086	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	124.9	174.1	-172	-78.1	0	0	0	109.3	F364 S365 L366 R367 F378 L382 S389 E410 H414 M415 L418	F364-F387 HydrophobicContact CD1-CB 4.45Å; S365-F387 PolarHBondContact O-N 3.12Å; L366-F387 WeakPolarHBondContact CA-O 3.44Å; L366-F387 HydrophobicContact CD2-CB 3.88Å; L366-F387 HydrophobicContact CD2-CD1 4.37Å; R367-F387 PolarHBondContact N-O 3.33Å; F378-F387 HydrophobicContact CE2-CE1 4.42Å; F378-F387 HydrophobicContact CE2-CE2 4.17Å; F378-F387 HydrophobicContact CE2-CZ 4.09Å; F378-F387 HydrophobicContact CZ-CD2 4.2Å; F378-F387 AromaticContact CZ-CE2 3.67Å; F378-F387 HydrophobicContact CZ-CE2 3.67Å; F378-F387 AromaticContact CZ-CZ 3.92Å; F378-F387 HydrophobicContact CZ-CZ 3.92Å; L382-F387 HydrophobicContact CD2-CD2 4Å; F387-S389 PolarHBondContact O-N 3.18Å; F387-E410 WeakPolarHBondContact CE1-OE2 3.36Å; F387-E410 WeakPolarHBondContact CZ-OE2 3.49Å; F387-H414 HydrophobicContact CE2-CB 4.07Å; F387-H414 AromaticContact CE2-CG 3.73Å; F387-H414 AromaticContact CE2-ND1 3.84Å; F387-H414 HydrophobicContact CZ-CB 4.07Å; F387-H414 AromaticContact CZ-CD2 3.45Å; F387-H414 VanDerWaalsContact CZ-CD2 3.45Å; F387-H414 WeakPolarHBondContact CZ-CD2 3.47Å; F387-H414 AromaticContact CZ-CG 3.63Å; F387-H414 AromaticContact CZ-NE2 3.82Å; F387-M415 HydrophobicContact CD1-CE 3.81Å; F387-M415 HydrophobicContact CE1-CE 3.88Å; F387-L418 HydrophobicContact CB-CD1 3.92Å; F387-L418 HydrophobicContact CD2-CD1 3.61Å; F387-L418 HydrophobicContact CE2-CD1 4.33Å; F387-L418 HydrophobicContact CG-CD1 3.83Å
388	Q	96.4	Very high	95.1	Very high	3 Å²	3	18.2 Å²	18.2	1%	0.014	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	109.4	177.2	-61.1	-144.9	52.7	0	0	109.2	C255 R367 A369 L373 F378 S381	C255-Q388 PolarHBondContact O-NE2 3.15Å; R367-Q388 HydrophobicContact CB-CG 4.45Å; R367-Q388 CarbonylContact O-C 3.11Å; R367-Q388 VanDerWaalsContact O-CA 3.32Å; R367-Q388 WeakPolarHBondContact O-CA 3.31Å; A369-Q388 HydrophobicContact CB-CB 4.16Å; L373-Q388 HydrophobicContact CD1-CB 3.54Å; L373-Q388 HydrophobicContact CD1-CG 3.8Å; L373-Q388 VanDerWaalsContact CD1-OE1 3.28Å; F378-Q388 HydrophobicContact CD2-CB 4.18Å; F378-Q388 HydrophobicContact CE2-CB 4.45Å; S381-Q388 PolarHBondContact OG-NE2 3.28Å
389	S	96.8	Very high	94.6	Very high	0 Å²	0	17.9 Å²	17.9	0%	0	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	131.5	-169.8	178.4	0	0	0	0	111.2	R367 P368 A369 F387 E410	R367-S389 PolarHBondContact O-N 3.45Å; P368-S389 CarbonylContact C-O 3.54Å; P368-S389 WeakPolarHBondContact CA-O 3.39Å; A369-S389 PolarHBondContact N-O 2.68Å; F387-S389 PolarHBondContact O-N 3.18Å; S389-E410 WeakPolarHBondContact OG-CB 3.16Å; S389-E410 WeakPolarHBondContact OG-CG 3.29Å
390	T	95.5	Very high	93.9	Very high	4 Å²	4	22 Å²	22	3%	0.025	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.9	153.8	174.3	64.6	0	0	0	0	111.4	A369 Y392 P405 D406 S407	A369-T390 HydrophobicContact CB-CG2 4.11Å; T390-Y392 HydrophobicContact CG2-CE1 3.75Å; T390-P405 PolarHBondContact OG1-O 2.9Å; T390-P405 VanDerWaalsContact OG1-O 3.13Å; T390-D406 VanDerWaalsContact OG1-C 3.26Å; T390-D406 WeakPolarHBondContact OG1-CA 3.48Å; T390-S407 WeakPolarHBondContact O-CA 3.49Å; T390-S407 WeakPolarHBondContact O-CB 3.12Å; T390-S407 PolarHBondContact O-OG 3.25Å; T390-S407 PolarHBondContact OG1-N 3.27Å
391	Q	96.1	Very high	93	Very high	1 Å²	1	27.2 Å²	27.2	1%	0.005	14%	0.136	C	C	.	.			trans	-115.7	-6.2	-178.8	-67.7	-170.3	108	0	0	113.6	I285 I301 Y303 L351	I285-Q391 HydrophobicContact CG2-CB 3.61Å; I301-Q391 HydrophobicContact CG1-CB 4.2Å; I301-Q391 HydrophobicContact CG1-CG 4.47Å; Y303-Q391 VanDerWaalsContact CE1-O 3.3Å; Y303-Q391 WeakPolarHBondContact CE1-O 3.39Å; Y303-Q391 PolarHBondContact OH-O 2.96Å; L351-Q391 HydrophobicContact CD1-CG 3.28Å; L351-Q391 HydrophobicContact CG-CG 3.75Å
392	Y	95.2	Very high	91.9	Very high	4 Å²	4	28.9 Å²	28.9	2%	0.016	15%	0.146	C	C	.	.	P	Polyproline II helix	trans	-81.5	154.3	175.6	55.6	-101.3	0	0	0	110.5	R282 T390 E404 P405 D406 S407	R282-Y392 VanDerWaalsContact NE-CD1 3.3Å; R282-Y392 VanDerWaalsContact NE-CG 3.26Å; T390-Y392 HydrophobicContact CG2-CE1 3.75Å; Y392-E404 HydrophobicContact CE2-CG 4.14Å; Y392-E404 PolarHBondContact OH-OE2 3.2Å; Y392-P405 WeakPolarHBondContact CE2-O 3.27Å; Y392-P405 PolarHBondContact OH-O 3.46Å; Y392-D406 HydrophobicContact CD2-CB 4.02Å; Y392-D406 HydrophobicContact CE2-CB 3.92Å; Y392-D406 WeakPolarHBondContact O-CB 3.46Å; Y392-S407 WeakPolarHBondContact O-CB 3.09Å; Y392-S407 PolarHBondContact O-N 3.09Å
393	V	95.5	Very high	90.9	Very high	3 Å²	3	30.6 Å²	30.6	2%	0.018	16%	0.157	C	C	.	.	P	Polyproline II helix	trans	-100.9	145.7	175.3	-177.7	0	0	0	0	109.5	Y278 Y303 E307 T310 L348 I408	Y278-V393 VanDerWaalsContact CE2-O 3.3Å; Y278-V393 WeakPolarHBondContact CE2-O 3.41Å; Y278-V393 PolarHBondContact OH-O 3.17Å; Y303-V393 HydrophobicContact CD1-CG2 4.24Å; Y303-V393 HydrophobicContact CE1-CG2 4.06Å; E307-V393 HydrophobicContact CB-CB 4.36Å; E307-V393 HydrophobicContact CB-CG2 4.01Å; E307-V393 HydrophobicContact CG-CB 4.06Å; E307-V393 HydrophobicContact CG-CG2 4.06Å; T310-V393 HydrophobicContact CG2-CG1 3.86Å; L348-V393 HydrophobicContact CD2-CG2 3.48Å; L348-V393 VanDerWaalsContact CD2-CG2 3.48Å; V393-I408 HydrophobicContact CG1-CD1 3.61Å; V393-I408 HydrophobicContact CG1-CG1 4.07Å
394	R	93.6	Very high	90.3	Very high	10 Å²	10	31.1 Å²	31.1	4%	0.038	16%	0.159	C	C	.	.	P	Polyproline II helix	trans	-54.3	158.1	169.4	64.2	-169.9	64.2	-176.8	-1.9	112	T310 P399 D406 I408	T310-R394 HydrophobicContact CG2-CG 3.95Å; R394-P399 WeakPolarHBondContact CD-O 3.24Å; R394-P399 PolarHBondContact NH1-O 2.88Å; R394-D406 HydrophobicContact CB-CB 4.28Å; R394-D406 VanDerWaalsContact CB-OD2 3.28Å; R394-D406 WeakPolarHBondContact CB-OD2 3.31Å; R394-D406 VanDerWaalsContact CG-OD2 3.27Å; R394-D406 WeakPolarHBondContact CG-OD2 3.49Å; R394-D406 IonicContact CZ-OD1 3.08Å; R394-D406 VanDerWaalsContact CZ-OD1 3.29Å; R394-D406 IonicContact CZ-OD2 3.23Å; R394-D406 PolarHBondContact N-OD2 3.39Å; R394-D406 VanDerWaalsContact NE-CG 3.27Å; R394-D406 IonicContact NE-OD1 3.75Å; R394-D406 PolarHBondContact NE-OD1 2.79Å; R394-D406 IonicContact NE-OD2 3.71Å; R394-D406 PolarHBondContact NE-OD2 3.13Å; R394-D406 IonicContact NH2-OD1 2.87Å; R394-D406 PolarHBondContact NH2-OD1 3.48Å; R394-D406 IonicContact NH2-OD2 3.32Å; R394-I408 HydrophobicContact CG-CD1 4.46Å
395	H	92.8	Very high	89.9	Confident	12 Å²	12	32.3 Å²	32.3	6%	0.056	17%	0.168	C	C	.	.	P	Polyproline II helix	trans	-66.2	138	-175.2	-167	-88.1	0	0	0	112.5	P271 D275 Y278 N397 S398	P271-H395 HydrophobicContact CB-CB 3.8Å; D275-H395 IonicContact OD2-NE2 2.7Å; D275-H395 PolarHBondContact OD2-NE2 3.08Å; Y278-H395 AromaticContact CD2-CD2 3.72Å; Y278-H395 HydrophobicContact CE2-CB 4.28Å; Y278-H395 AromaticContact CG-CD2 3.73Å; H395-N397 VanDerWaalsContact C-N 3.27Å; H395-N397 PolarHBondContact CE1-ND2 3.32Å; H395-N397 PolarHBondContact ND1-N 3.18Å; H395-N397 PolarHBondContact O-N 3.37Å; H395-S398 CarbonylContact O-C 3.57Å; H395-S398 VanDerWaalsContact O-C 3.25Å; H395-S398 PolarHBondContact O-N 2.77Å
396	V	90.1	Very high	89.7	Confident	60 Å²	60	29.5 Å²	29.5	36%	0.364	16%	0.157	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.3	-30.9	-174	63.5	0	0	0	0	114.3	V306 S398 P399	V306-V396 HydrophobicContact CG1-CB 3.7Å; V306-V396 HydrophobicContact CG1-CG1 4.12Å; V306-V396 HydrophobicContact CG1-CG2 3.71Å; V396-S398 PolarHBondContact O-N 2.95Å; V396-P399 WeakPolarHBondContact O-CD 3.48Å
397	N	88.1	Confident	89.6	Confident	131 Å²	131	29.1 Å²	29.1	70%	0.701	16%	0.155	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72.7	-11.2	177.3	-64.2	-11.2	0	0	0	113.1	H395	H395-N397 VanDerWaalsContact C-N 3.27Å; H395-N397 PolarHBondContact CE1-ND2 3.32Å; H395-N397 PolarHBondContact ND1-N 3.18Å; H395-N397 PolarHBondContact O-N 3.37Å
398	S	84.9	Confident	89.5	Confident	36 Å²	36	29 Å²	29	25%	0.252	16%	0.155	S	C	.	.			trans	-137	59.6	179.6	-53.6	0	0	0	0	109.4	H395 V396 Y400 H401	H395-S398 CarbonylContact O-C 3.57Å; H395-S398 VanDerWaalsContact O-C 3.25Å; H395-S398 PolarHBondContact O-N 2.77Å; V396-S398 PolarHBondContact O-N 2.95Å; S398-Y400 PolarHBondContact O-N 2.93Å; S398-H401 PolarHBondContact O-N 3.07Å
399	P	84	Confident	89.4	Confident	25 Å²	25	29.5 Å²	29.5	16%	0.162	16%	0.157	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.9	-16.8	-173.6	29.9	-34.6	0	0	0	112.3	T310 V314 R394 V396	T310-P399 HydrophobicContact CG2-CB 3.88Å; V314-P399 WeakPolarHBondContact CG2-O 3.16Å; R394-P399 WeakPolarHBondContact CD-O 3.24Å; R394-P399 PolarHBondContact NH1-O 2.88Å; V396-P399 WeakPolarHBondContact O-CD 3.48Å
400	Y	82	Confident	89.5	Confident	90 Å²	90	30 Å²	30	35%	0.353	16%	0.159	S	C	.	.	T	Hydrogen-bonded Turn	trans	-108.4	0.4	-173.3	-62.6	-46.4	0	0	0	114.3	V314 S398 Y475	V314-Y400 HydrophobicContact CG2-CD1 4.29Å; S398-Y400 PolarHBondContact O-N 2.93Å; Y400-Y475 VanDerWaalsContact CB-CE1 3.42Å; Y400-Y475 WeakPolarHBondContact CB-OH 3.45Å; Y400-Y475 HydrophobicContact CD1-CD1 4.24Å; Y400-Y475 AromaticContact CD1-CE1 3.3Å; Y400-Y475 HydrophobicContact CD1-CE1 3.3Å; Y400-Y475 AromaticContact CD1-CZ 3.98Å; Y400-Y475 HydrophobicContact CD2-CE1 4.25Å; Y400-Y475 WeakPolarHBondContact CD2-OH 3.41Å; Y400-Y475 HydrophobicContact CE1-CE1 4.06Å; Y400-Y475 AromaticContact CG-CE1 3.39Å; Y400-Y475 HydrophobicContact CG-CE1 3.39Å; Y400-Y475 AromaticContact CG-CZ 3.63Å
401	H	76.4	Confident	89.6	Confident	115 Å²	115	29.8 Å²	29.8	53%	0.532	16%	0.158	S	C	.	.			trans	-138.8	132.9	-180	171.1	-87	0	0	0	108.9	S398	S398-H401 PolarHBondContact O-N 3.07Å
402	T	75.4	Confident	89.5	Confident	35 Å²	35	29.7 Å²	29.7	22%	0.215	16%	0.158	C	C	.	.			trans	-135.5	131.4	172.2	-170.7	0	0	0	0	109.5	E404	T402-E404 WeakPolarHBondContact CB-O 3.46Å; T402-E404 WeakPolarHBondContact CG2-O 3.49Å; T402-E404 PolarHBondContact O-N 2.92Å; T402-E404 PolarHBondContact OG1-O 2.87Å
403	P	77.1	Confident	89.5	Confident	37 Å²	37	29.5 Å²	29.5	24%	0.24	16%	0.157	C	C	.	.	S	Bend	trans	-73.5	-16.3	176.8	31.5	-35.3	0	0	0	112.4	Y262	Y262-P403 HydrophobicContact CD1-CB 4.06Å; Y262-P403 VanDerWaalsContact CD1-O 3.27Å; Y262-P403 WeakPolarHBondContact CD1-O 3.32Å; Y262-P403 WeakPolarHBondContact CE1-O 3.27Å
404	E	84.4	Confident	89.7	Confident	11 Å²	11	29.5 Å²	29.5	5%	0.051	16%	0.157	C	C	.	.	S	Bend	trans	-139.2	157	179.4	65.2	-173	150.7	0	0	111	Y262 H270 R282 Y392 T402 D406	Y262-E404 WeakPolarHBondContact CB-OE2 3.47Å; Y262-E404 HydrophobicContact CD1-CB 4.47Å; Y262-E404 HydrophobicContact CD2-CB 4.11Å; Y262-E404 HydrophobicContact CG-CB 3.85Å; H270-E404 IonicContact NE2-OE1 3.29Å; R282-E404 IonicContact CZ-OE1 3.33Å; R282-E404 IonicContact NH1-OE1 2.7Å; R282-E404 PolarHBondContact NH1-OE1 2.68Å; R282-E404 VanDerWaalsContact NH2-CD 3.32Å; R282-E404 IonicContact NH2-OE1 3.94Å; R282-E404 PolarHBondContact NH2-OE1 2.92Å; R282-E404 IonicContact NH2-OE2 2.92Å; R282-E404 PolarHBondContact NH2-OE2 2.62Å; Y392-E404 HydrophobicContact CE2-CG 4.14Å; Y392-E404 PolarHBondContact OH-OE2 3.2Å; T402-E404 WeakPolarHBondContact CB-O 3.46Å; T402-E404 WeakPolarHBondContact CG2-O 3.49Å; T402-E404 PolarHBondContact O-N 2.92Å; T402-E404 PolarHBondContact OG1-O 2.87Å; E404-D406 PolarHBondContact O-N 2.97Å
405	P	89.3	Confident	89.9	Confident	33 Å²	33	29 Å²	29	21%	0.214	16%	0.155	C	C	.	.			trans	-56.4	121.7	173.9	-25.9	36.1	0	0	0	111.3	L372 T390 Y392 E410	L372-P405 HydrophobicContact CD1-CG 4.46Å; T390-P405 PolarHBondContact OG1-O 2.9Å; T390-P405 VanDerWaalsContact OG1-O 3.13Å; Y392-P405 WeakPolarHBondContact CE2-O 3.27Å; Y392-P405 PolarHBondContact OH-O 3.46Å; P405-E410 WeakPolarHBondContact CB-OE1 3.25Å
406	D	94.2	Very high	90.2	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	15%	0.152	C	C	.	.			trans	-112.7	168.8	173.6	80.5	-44.6	0	0	0	110.1	T390 Y392 R394 E404 I408 H409 E410	T390-D406 VanDerWaalsContact OG1-C 3.26Å; T390-D406 WeakPolarHBondContact OG1-CA 3.48Å; Y392-D406 HydrophobicContact CD2-CB 4.02Å; Y392-D406 HydrophobicContact CE2-CB 3.92Å; Y392-D406 WeakPolarHBondContact O-CB 3.46Å; R394-D406 HydrophobicContact CB-CB 4.28Å; R394-D406 VanDerWaalsContact CB-OD2 3.28Å; R394-D406 WeakPolarHBondContact CB-OD2 3.31Å; R394-D406 VanDerWaalsContact CG-OD2 3.27Å; R394-D406 WeakPolarHBondContact CG-OD2 3.49Å; R394-D406 IonicContact CZ-OD1 3.08Å; R394-D406 VanDerWaalsContact CZ-OD1 3.29Å; R394-D406 IonicContact CZ-OD2 3.23Å; R394-D406 PolarHBondContact N-OD2 3.39Å; R394-D406 VanDerWaalsContact NE-CG 3.27Å; R394-D406 IonicContact NE-OD1 3.75Å; R394-D406 PolarHBondContact NE-OD1 2.79Å; R394-D406 IonicContact NE-OD2 3.71Å; R394-D406 PolarHBondContact NE-OD2 3.13Å; R394-D406 IonicContact NH2-OD1 2.87Å; R394-D406 PolarHBondContact NH2-OD1 3.48Å; R394-D406 IonicContact NH2-OD2 3.32Å; E404-D406 PolarHBondContact O-N 2.97Å; D406-I408 PolarHBondContact O-N 2.97Å; D406-H409 WeakPolarHBondContact O-CA 3.47Å; D406-H409 WeakPolarHBondContact O-CB 3.49Å; D406-H409 PolarHBondContact O-N 3.35Å; D406-H409 WeakPolarHBondContact OD1-CB 3.14Å; D406-H409 PolarHBondContact OD1-N 2.95Å; D406-E410 WeakPolarHBondContact O-CG 3.34Å; D406-E410 PolarHBondContact O-N 3.44Å
407	S	96	Very high	90.6	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-54	-33.4	-176.7	-167.8	0	0	0	0	113.1	T390 Y392 E410 L411	T390-S407 WeakPolarHBondContact O-CA 3.49Å; T390-S407 WeakPolarHBondContact O-CB 3.12Å; T390-S407 PolarHBondContact O-OG 3.25Å; T390-S407 PolarHBondContact OG1-N 3.27Å; Y392-S407 WeakPolarHBondContact O-CB 3.09Å; Y392-S407 PolarHBondContact O-N 3.09Å; S407-E410 PolarHBondContact O-N 2.99Å; S407-L411 WeakPolarHBondContact O-CB 3.39Å; S407-L411 WeakPolarHBondContact O-CD1 3.44Å; S407-L411 WeakPolarHBondContact O-CG 3.41Å; S407-L411 PolarHBondContact O-N 3.49Å; S407-L411 WeakPolarHBondContact OG-CD1 3.04Å
408	I	95.9	Very high	91.1	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	10%	0.102	C	C	.	.	H	α-helix	trans	-66.7	-46.3	176	-56.8	-176.1	0	0	0	111.3	T310 W311 V314 V393 R394 D406 E410 L412	T310-I408 HydrophobicContact CG2-CD1 3.77Å; W311-I408 HydrophobicContact CB-CD1 4.39Å; W311-I408 HydrophobicContact CE3-CG1 4.15Å; W311-I408 HydrophobicContact CE3-CG2 4.24Å; W311-I408 HydrophobicContact CZ3-CG2 4.5Å; V314-I408 HydrophobicContact CB-CG2 3.92Å; V314-I408 HydrophobicContact CG1-CG2 3.7Å; V314-I408 HydrophobicContact CG2-CD1 4.4Å; V314-I408 HydrophobicContact CG2-CG2 4.26Å; V393-I408 HydrophobicContact CG1-CD1 3.61Å; V393-I408 HydrophobicContact CG1-CG1 4.07Å; R394-I408 HydrophobicContact CG-CD1 4.46Å; D406-I408 PolarHBondContact O-N 2.97Å; I408-E410 VanDerWaalsContact C-N 3.33Å; I408-L412 HydrophobicContact CG2-CD1 3.71Å; I408-L412 HydrophobicContact CG2-CG 4.4Å; I408-L412 WeakPolarHBondContact O-CB 3.33Å; I408-L412 PolarHBondContact O-N 3.41Å
409	H	95	Very high	91.7	Very high	13 Å²	13	18.1 Å²	18.1	6%	0.06	9%	0.093	C	C	.	.	H	α-helix	trans	-58.5	-47.3	173.8	167.8	93.2	0	0	0	110.8	D406 L411 G413 H414 E454 S473	D406-H409 WeakPolarHBondContact O-CA 3.47Å; D406-H409 WeakPolarHBondContact O-CB 3.49Å; D406-H409 PolarHBondContact O-N 3.35Å; D406-H409 WeakPolarHBondContact OD1-CB 3.14Å; D406-H409 PolarHBondContact OD1-N 2.95Å; H409-L411 PolarHBondContact O-N 3.4Å; H409-G413 VanDerWaalsContact O-CA 3.22Å; H409-G413 WeakPolarHBondContact O-CA 3.45Å; H409-G413 PolarHBondContact O-N 3.27Å; H409-H414 AromaticContact CD2-NE2 3.93Å; H409-H414 AromaticContact NE2-CD2 3.79Å; H409-H414 AromaticContact NE2-NE2 3.25Å; H409-H414 PolarHBondContact NE2-NE2 3.45Å; H409-E454 IonicContact CE1-OE2 3.62Å; H409-E454 IonicContact NE2-OE2 3.16Å; H409-S473 PolarHBondContact ND1-OG 2.97Å
410	E	97	Very high	92.4	Very high	9 Å²	9	18.5 Å²	18.5	4%	0.042	9%	0.094	C	C	.	.	I	π-helix	trans	-58.8	-53.7	179.8	-55.4	-59.1	-179	0	0	111.2	F387 S389 P405 D406 S407 I408 H414 M415	F387-E410 WeakPolarHBondContact CE1-OE2 3.36Å; F387-E410 WeakPolarHBondContact CZ-OE2 3.49Å; S389-E410 WeakPolarHBondContact OG-CB 3.16Å; S389-E410 WeakPolarHBondContact OG-CG 3.29Å; P405-E410 WeakPolarHBondContact CB-OE1 3.25Å; D406-E410 WeakPolarHBondContact O-CG 3.34Å; D406-E410 PolarHBondContact O-N 3.44Å; S407-E410 PolarHBondContact O-N 2.99Å; I408-E410 VanDerWaalsContact C-N 3.33Å; E410-H414 PolarHBondContact O-N 3.1Å; E410-H414 IonicContact OE2-CD2 2.71Å; E410-H414 PolarHBondContact OE2-CD2 2.93Å; E410-H414 VanDerWaalsContact OE2-CD2 3.27Å; E410-H414 IonicContact OE2-NE2 3.6Å; E410-M415 HydrophobicContact CB-CE 3.76Å; E410-M415 VanDerWaalsContact O-CE 3.25Å; E410-M415 WeakPolarHBondContact O-CE 3.36Å; E410-M415 WeakPolarHBondContact O-CG 3.48Å; E410-M415 PolarHBondContact O-N 3.31Å
411	L	97.6	Very high	93.2	Very high	0 Å²	0	18.4 Å²	18.4	0%	0	10%	0.104	C	C	.	.	I	π-helix	trans	-64.9	-52.1	-174.5	-69	171.9	0	0	0	111.9	W311 F343 P349 L351 M354 S407 H409 M415 P416	W311-L411 HydrophobicContact CH2-CB 4.42Å; W311-L411 HydrophobicContact CZ3-CB 4.09Å; W311-L411 HydrophobicContact CZ3-CD1 4.25Å; F343-L411 WeakPolarHBondContact CZ-O 3.45Å; P349-L411 HydrophobicContact CB-CD1 4.04Å; P349-L411 HydrophobicContact CB-CD2 4.08Å; P349-L411 HydrophobicContact CG-CD1 4.07Å; L351-L411 HydrophobicContact CD2-CD2 4.18Å; M354-L411 HydrophobicContact CB-CD2 4.43Å; M354-L411 HydrophobicContact CG-CD2 3.62Å; M354-L411 HydrophobicContact SD-CD2 4.39Å; S407-L411 WeakPolarHBondContact O-CB 3.39Å; S407-L411 WeakPolarHBondContact O-CD1 3.44Å; S407-L411 WeakPolarHBondContact O-CG 3.41Å; S407-L411 PolarHBondContact O-N 3.49Å; S407-L411 WeakPolarHBondContact OG-CD1 3.04Å; H409-L411 PolarHBondContact O-N 3.4Å; L411-M415 HydrophobicContact CD2-CG 4.22Å; L411-M415 WeakPolarHBondContact O-CB 3.47Å; L411-P416 WeakPolarHBondContact O-CD 3.47Å
412	L	95.7	Very high	94.2	Very high	0 Å²	0	13.9 Å²	13.9	0%	0	9%	0.086	C	C	.	.	I	π-helix	trans	-80.6	-33.1	-176.1	-65.6	176	0	0	0	113	W311 V314 F315 V318 Y330 F334 F343 I408	W311-L412 HydrophobicContact CE3-CD1 4.44Å; W311-L412 HydrophobicContact CH2-CD1 4.38Å; W311-L412 HydrophobicContact CH2-CD2 3.57Å; W311-L412 HydrophobicContact CH2-CG 3.88Å; W311-L412 HydrophobicContact CZ2-CD2 4.43Å; W311-L412 HydrophobicContact CZ3-CD1 3.94Å; W311-L412 HydrophobicContact CZ3-CD2 3.9Å; W311-L412 HydrophobicContact CZ3-CG 3.65Å; V314-L412 HydrophobicContact CB-CD1 4.46Å; V314-L412 HydrophobicContact CG1-CD1 3.82Å; F315-L412 HydrophobicContact CD2-CD2 3.9Å; F315-L412 HydrophobicContact CE2-CD2 4.3Å; V318-L412 HydrophobicContact CB-CD1 4.49Å; V318-L412 HydrophobicContact CG2-CD1 4.01Å; Y330-L412 VanDerWaalsContact CE2-O 3.25Å; Y330-L412 WeakPolarHBondContact CE2-O 3.21Å; Y330-L412 PolarHBondContact OH-O 3.27Å; F334-L412 HydrophobicContact CE2-CD2 4.14Å; F343-L412 HydrophobicContact CD2-CD2 4.5Å; F343-L412 HydrophobicContact CE2-CD2 4.02Å; F343-L412 HydrophobicContact CZ-CD2 4.26Å; I408-L412 HydrophobicContact CG2-CD1 3.71Å; I408-L412 HydrophobicContact CG2-CG 4.4Å; I408-L412 WeakPolarHBondContact O-CB 3.33Å; I408-L412 PolarHBondContact O-N 3.41Å
413	G	95.6	Very high	95.2	Very high	0 Å²	0	12.3 Å²	12.3	0%	0	8%	0.076	C	C	.	.	I	π-helix	trans	-80.6	-54.9	-175.9	0	0	0	0	0	112.7	H409 A469	H409-G413 VanDerWaalsContact O-CA 3.22Å; H409-G413 WeakPolarHBondContact O-CA 3.45Å; H409-G413 PolarHBondContact O-N 3.27Å; G413-A469 VanDerWaalsContact C-CB 3.41Å
414	H	98.1	Very high	96.3	Very high	3 Å²	3	10.6 Å²	10.6	1%	0.014	6%	0.064	C	C	.	.	I	π-helix	trans	-93.4	-42.4	-169.9	-67	-74	0	0	0	113.8	F387 H409 E410 L417 L418 E454 A469	F387-H414 HydrophobicContact CE2-CB 4.07Å; F387-H414 AromaticContact CE2-CG 3.73Å; F387-H414 AromaticContact CE2-ND1 3.84Å; F387-H414 HydrophobicContact CZ-CB 4.07Å; F387-H414 AromaticContact CZ-CD2 3.45Å; F387-H414 VanDerWaalsContact CZ-CD2 3.45Å; F387-H414 WeakPolarHBondContact CZ-CD2 3.47Å; F387-H414 AromaticContact CZ-CG 3.63Å; F387-H414 AromaticContact CZ-NE2 3.82Å; H409-H414 AromaticContact CD2-NE2 3.93Å; H409-H414 AromaticContact NE2-CD2 3.79Å; H409-H414 AromaticContact NE2-NE2 3.25Å; H409-H414 PolarHBondContact NE2-NE2 3.45Å; E410-H414 PolarHBondContact O-N 3.1Å; E410-H414 IonicContact OE2-CD2 2.71Å; E410-H414 PolarHBondContact OE2-CD2 2.93Å; E410-H414 VanDerWaalsContact OE2-CD2 3.27Å; E410-H414 IonicContact OE2-NE2 3.6Å; H414-L417 PolarHBondContact O-N 3.03Å; H414-L418 HydrophobicContact CB-CD1 4.23Å; H414-L418 WeakPolarHBondContact O-CG 3.43Å; H414-L418 PolarHBondContact O-N 2.95Å; H414-L418 VanDerWaalsContact O-N 3.07Å; H414-E454 IonicContact CE1-OE1 3.86Å; H414-E454 PolarHBondContact CE1-OE1 2.81Å; H414-E454 IonicContact CE1-OE2 2.82Å; H414-E454 IonicContact NE2-OE1 2.69Å; H414-E454 PolarHBondContact NE2-OE1 2.92Å; H414-E454 IonicContact NE2-OE2 3.46Å; H414-A469 HydrophobicContact CB-CB 4.48Å; H414-A469 WeakPolarHBondContact CE1-CB 3.45Å; H414-A469 VanDerWaalsContact ND1-CB 3.28Å; H414-A469 WeakPolarHBondContact ND1-CB 3.49Å; H414-A469 WeakPolarHBondContact NE2-CB 3.43Å
415	M	98.2	Very high	96.9	Very high	0 Å²	0	12.4 Å²	12.4	0%	0	7%	0.073	C	C	.	.	H	α-helix	trans	-64.5	-39.1	-162.3	-51.3	-54.5	153.4	0	0	115.2	M354 L358 L366 F387 E410 L411 L417 L418 A419	M354-M415 HydrophobicContact CE-CB 3.36Å; M354-M415 HydrophobicContact CE-CG 3.85Å; L358-M415 HydrophobicContact CD1-SD 3.94Å; L358-M415 WeakPolarHBondContact CD2-O 3.41Å; L366-M415 HydrophobicContact CD1-CE 4.33Å; L366-M415 HydrophobicContact CD1-SD 3.99Å; L366-M415 HydrophobicContact CD2-CE 3.97Å; L366-M415 HydrophobicContact CD2-SD 3.58Å; L366-M415 VanDerWaalsContact CD2-SD 3.58Å; L366-M415 HydrophobicContact CG-SD 4.43Å; F387-M415 HydrophobicContact CD1-CE 3.81Å; F387-M415 HydrophobicContact CE1-CE 3.88Å; E410-M415 HydrophobicContact CB-CE 3.76Å; E410-M415 VanDerWaalsContact O-CE 3.25Å; E410-M415 WeakPolarHBondContact O-CE 3.36Å; E410-M415 WeakPolarHBondContact O-CG 3.48Å; E410-M415 PolarHBondContact O-N 3.31Å; L411-M415 HydrophobicContact CD2-CG 4.22Å; L411-M415 WeakPolarHBondContact O-CB 3.47Å; M415-L417 VanDerWaalsContact C-N 3.32Å; M415-L417 PolarHBondContact O-N 2.89Å; M415-L418 PolarHBondContact O-N 3.46Å; M415-L418 HydrophobicContact SD-CD1 4.09Å; M415-A419 PolarHBondContact O-N 2.84Å
416	P	98.3	Very high	97.3	Very high	0 Å²	0	10.9 Å²	10.9	0%	0	6%	0.063	C	C	.	.	H	α-helix	trans	-58.6	-43.9	177.3	-27.1	37.4	0	0	0	112	Y330 A333 F334 L337 F343 L411 A419	Y330-P416 HydrophobicContact CD2-CB 3.63Å; Y330-P416 HydrophobicContact CD2-CG 4.07Å; Y330-P416 HydrophobicContact CE2-CB 3.62Å; Y330-P416 HydrophobicContact CE2-CG 3.49Å; Y330-P416 VanDerWaalsContact CE2-CG 3.49Å; Y330-P416 HydrophobicContact CG-CB 4.26Å; A333-P416 HydrophobicContact CB-CB 3.92Å; A333-P416 WeakPolarHBondContact CB-O 3.27Å; F334-P416 HydrophobicContact CD2-CG 4.36Å; L337-P416 HydrophobicContact CD1-CB 4.24Å; L337-P416 HydrophobicContact CD1-CG 3.92Å; F343-P416 HydrophobicContact CE2-CG 3.8Å; F343-P416 HydrophobicContact CZ-CG 4.07Å; L411-P416 WeakPolarHBondContact O-CD 3.47Å; P416-A419 VanDerWaalsContact O-CB 3.31Å; P416-A419 WeakPolarHBondContact O-CB 3.36Å; P416-A419 PolarHBondContact O-N 3.19Å; P416-A419 VanDerWaalsContact O-N 3.15Å
417	L	98.5	Very high	97.5	Very high	1 Å²	1	11 Å²	11	1%	0.005	6%	0.063	C	C	.	.	H	α-helix	trans	-76.1	-28.3	-179.7	-75.6	166.1	0	0	0	113.4	E329 Y330 H414 M415 A419 D420 F423 Y467 L472 F516	E329-L417 HydrophobicContact CB-CD2 3.88Å; Y330-L417 HydrophobicContact CD2-CD1 4.17Å; Y330-L417 HydrophobicContact CD2-CG 3.99Å; H414-L417 PolarHBondContact O-N 3.03Å; M415-L417 VanDerWaalsContact C-N 3.32Å; M415-L417 PolarHBondContact O-N 2.89Å; L417-A419 PolarHBondContact O-N 3.38Å; L417-D420 WeakPolarHBondContact O-CB 3.45Å; L417-D420 PolarHBondContact O-N 3.16Å; L417-F423 HydrophobicContact CB-CB 4.42Å; L417-F423 HydrophobicContact CB-CD1 3.51Å; L417-F423 HydrophobicContact CB-CD2 4.39Å; L417-F423 HydrophobicContact CB-CE1 3.74Å; L417-F423 HydrophobicContact CB-CG 3.84Å; L417-F423 HydrophobicContact CB-CZ 4.28Å; L417-F423 HydrophobicContact CD1-CE2 4.42Å; L417-F423 HydrophobicContact CD1-CZ 4.42Å; L417-F423 HydrophobicContact CD2-CG 4.46Å; L417-F423 WeakPolarHBondContact O-CB 3.28Å; L417-F423 WeakPolarHBondContact O-CD1 3.32Å; L417-Y467 HydrophobicContact CD1-CD2 4.39Å; L417-Y467 WeakPolarHBondContact CD1-O 2.95Å; L417-L472 HydrophobicContact CD1-CD1 4.27Å; L417-F516 HydrophobicContact CD2-CE2 4.12Å; L417-F516 HydrophobicContact CD2-CZ 4.13Å
418	L	98.7	Very high	97.7	Very high	2 Å²	2	11.2 Å²	11.2	1%	0.01	7%	0.065	C	C	.	.	H	α-helix	trans	-64.5	-16	169.3	-67.7	176.9	0	0	0	112.8	L358 T362 F364 F387 H414 M415 F423	L358-L418 HydrophobicContact CD1-CB 4.44Å; L358-L418 HydrophobicContact CD2-CB 3.84Å; T362-L418 WeakPolarHBondContact CB-O 3.5Å; T362-L418 WeakPolarHBondContact CG2-O 3.39Å; T362-L418 PolarHBondContact OG1-O 3.19Å; F364-L418 HydrophobicContact CD1-CD1 4.29Å; F364-L418 HydrophobicContact CD1-CD2 4Å; F364-L418 HydrophobicContact CE1-CD2 3.8Å; F364-L418 HydrophobicContact CE2-CD2 4.44Å; F364-L418 HydrophobicContact CG-CD2 4.4Å; F364-L418 HydrophobicContact CZ-CD2 4.04Å; F387-L418 HydrophobicContact CB-CD1 3.92Å; F387-L418 HydrophobicContact CD2-CD1 3.61Å; F387-L418 HydrophobicContact CE2-CD1 4.33Å; F387-L418 HydrophobicContact CG-CD1 3.83Å; H414-L418 HydrophobicContact CB-CD1 4.23Å; H414-L418 WeakPolarHBondContact O-CG 3.43Å; H414-L418 PolarHBondContact O-N 2.95Å; H414-L418 VanDerWaalsContact O-N 3.07Å; M415-L418 PolarHBondContact O-N 3.46Å; M415-L418 HydrophobicContact SD-CD1 4.09Å; L418-F423 HydrophobicContact CD2-CD1 4.45Å; L418-F423 HydrophobicContact CD2-CE1 4.39Å
419	A	98.4	Very high	97.7	Very high	6 Å²	6	12.1 Å²	12.1	5%	0.05	7%	0.069	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.7	-7.3	170.9	0	0	0	0	0	113.7	A333 F357 L358 N361 T362 M415 P416 L417	A333-A419 HydrophobicContact CB-CB 4.3Å; F357-A419 HydrophobicContact CD1-CB 4.37Å; F357-A419 HydrophobicContact CE1-CB 3.53Å; F357-A419 HydrophobicContact CZ-CB 4.26Å; L358-A419 HydrophobicContact CD2-CB 3.89Å; N361-A419 HydrophobicContact CB-CB 4.39Å; T362-A419 VanDerWaalsContact CG2-C 3.41Å; T362-A419 VanDerWaalsContact CG2-O 3.29Å; T362-A419 WeakPolarHBondContact CG2-O 3.26Å; M415-A419 PolarHBondContact O-N 2.84Å; P416-A419 VanDerWaalsContact O-CB 3.31Å; P416-A419 WeakPolarHBondContact O-CB 3.36Å; P416-A419 PolarHBondContact O-N 3.19Å; P416-A419 VanDerWaalsContact O-N 3.15Å; L417-A419 PolarHBondContact O-N 3.38Å
420	D	98.4	Very high	97.9	Very high	33 Å²	33	11.5 Å²	11.5	18%	0.176	7%	0.066	C	C	.	.	S	Bend	trans	-85.3	127.5	170.2	177.6	73.1	0	0	0	110.6	E329 L417 S422 F423 A424	E329-D420 HydrophobicContact CB-CB 4.26Å; L417-D420 WeakPolarHBondContact O-CB 3.45Å; L417-D420 PolarHBondContact O-N 3.16Å; D420-S422 VanDerWaalsContact C-N 3.34Å; D420-S422 PolarHBondContact O-N 3.25Å; D420-S422 WeakPolarHBondContact OD2-CA 3.2Å; D420-S422 WeakPolarHBondContact OD2-CB 3.07Å; D420-S422 PolarHBondContact OD2-N 3.24Å; D420-F423 HydrophobicContact CB-CB 4.16Å; D420-F423 PolarHBondContact O-N 3.21Å; D420-F423 PolarHBondContact OD2-N 3.25Å; D420-A424 WeakPolarHBondContact O-CB 3.32Å; D420-A424 PolarHBondContact O-N 3.28Å
421	P	97.9	Very high	97.9	Very high	89 Å²	89	11.1 Å²	11.1	58%	0.578	6%	0.064	S	C	*	.	H	α-helix	trans	-60.5	-36.3	-177.5	-26.3	35.1	0	0	0	114.9	T362 Q425	T362-P421 HydrophobicContact CG2-CG 4.44Å; P421-Q425 WeakPolarHBondContact O-CB 3.45Å; P421-Q425 PolarHBondContact O-N 2.84Å; P421-Q425 VanDerWaalsContact O-N 3.09Å
422	S	97.4	Very high	97.8	Very high	20 Å²	20	12.3 Å²	12.3	14%	0.14	7%	0.071	C	C	.	.	H	α-helix	trans	-74.8	-44.3	-176.6	-166.8	0	0	0	0	110.8	D420 Q425 F426 F516 E517 K520	D420-S422 VanDerWaalsContact C-N 3.34Å; D420-S422 PolarHBondContact O-N 3.25Å; D420-S422 WeakPolarHBondContact OD2-CA 3.2Å; D420-S422 WeakPolarHBondContact OD2-CB 3.07Å; D420-S422 PolarHBondContact OD2-N 3.24Å; S422-Q425 PolarHBondContact O-N 2.83Å; S422-F426 PolarHBondContact O-N 2.99Å; S422-F516 WeakPolarHBondContact OG-CB 3.28Å; S422-E517 PolarHBondContact OG-OE1 2.96Å; S422-K520 WeakPolarHBondContact OG-CE 3.42Å; S422-K520 PolarHBondContact OG-NZ 2.85Å
423	F	98.4	Very high	97.8	Very high	2 Å²	2	12.6 Å²	12.6	1%	0.009	7%	0.073	C	C	.	.	H	α-helix	trans	-68.2	-39.6	176.3	-170.5	-90.9	0	0	0	113	L417 L418 D420 Q425 F426 S427 V453 Y467 F516	L417-F423 HydrophobicContact CB-CB 4.42Å; L417-F423 HydrophobicContact CB-CD1 3.51Å; L417-F423 HydrophobicContact CB-CD2 4.39Å; L417-F423 HydrophobicContact CB-CE1 3.74Å; L417-F423 HydrophobicContact CB-CG 3.84Å; L417-F423 HydrophobicContact CB-CZ 4.28Å; L417-F423 HydrophobicContact CD1-CE2 4.42Å; L417-F423 HydrophobicContact CD1-CZ 4.42Å; L417-F423 HydrophobicContact CD2-CG 4.46Å; L417-F423 WeakPolarHBondContact O-CB 3.28Å; L417-F423 WeakPolarHBondContact O-CD1 3.32Å; L418-F423 HydrophobicContact CD2-CD1 4.45Å; L418-F423 HydrophobicContact CD2-CE1 4.39Å; D420-F423 HydrophobicContact CB-CB 4.16Å; D420-F423 PolarHBondContact O-N 3.21Å; D420-F423 PolarHBondContact OD2-N 3.25Å; F423-Q425 VanDerWaalsContact C-N 3.3Å; F423-Q425 PolarHBondContact O-N 3.45Å; F423-F426 PolarHBondContact O-N 3.33Å; F423-S427 WeakPolarHBondContact CE1-OG 3.43Å; F423-S427 WeakPolarHBondContact O-CB 3.42Å; F423-S427 PolarHBondContact O-N 3.06Å; F423-S427 PolarHBondContact O-OG 3.49Å; F423-V453 HydrophobicContact CE1-CG1 4.38Å; F423-V453 HydrophobicContact CZ-CB 4.31Å; F423-V453 HydrophobicContact CZ-CG1 4Å; F423-V453 HydrophobicContact CZ-CG2 4Å; F423-Y467 HydrophobicContact CD2-CD2 4.29Å; F423-Y467 AromaticContact CE2-CD2 3.47Å; F423-Y467 HydrophobicContact CE2-CD2 3.47Å; F423-Y467 VanDerWaalsContact CE2-CD2 3.47Å; F423-Y467 AromaticContact CE2-CE2 3.61Å; F423-Y467 HydrophobicContact CE2-CE2 3.61Å; F423-Y467 HydrophobicContact CZ-CD2 4.19Å; F423-Y467 HydrophobicContact CZ-CE2 4.38Å; F423-F516 HydrophobicContact CB-CD2 4.07Å; F423-F516 HydrophobicContact CB-CE2 4.05Å; F423-F516 HydrophobicContact CD2-CD1 4.03Å; F423-F516 HydrophobicContact CD2-CD2 4.38Å; F423-F516 AromaticContact CD2-CE1 3.67Å; F423-F516 HydrophobicContact CD2-CE1 3.67Å; F423-F516 HydrophobicContact CD2-CE2 4.03Å; F423-F516 HydrophobicContact CD2-CG 4.39Å; F423-F516 AromaticContact CD2-CZ 3.67Å; F423-F516 HydrophobicContact CD2-CZ 3.67Å; F423-F516 HydrophobicContact CE2-CE1 4.18Å; F423-F516 HydrophobicContact CE2-CZ 4.38Å; F423-F516 HydrophobicContact CG-CE2 4.49Å
424	A	98.5	Very high	97.8	Very high	0 Å²	0	12.8 Å²	12.8	0%	0	7%	0.074	C	C	.	.	H	α-helix	trans	-58.1	-44.1	172.1	0	0	0	0	0	111.2	T362 F364 D420 S427 Q428	T362-A424 HydrophobicContact CG2-CB 3.84Å; F364-A424 HydrophobicContact CD2-CB 3.71Å; F364-A424 HydrophobicContact CE2-CB 3.67Å; F364-A424 VanDerWaalsContact CE2-O 3.29Å; F364-A424 WeakPolarHBondContact CE2-O 3.43Å; D420-A424 WeakPolarHBondContact O-CB 3.32Å; D420-A424 PolarHBondContact O-N 3.28Å; A424-S427 PolarHBondContact O-N 3.46Å; A424-Q428 WeakPolarHBondContact O-CB 3.49Å; A424-Q428 PolarHBondContact O-N 2.63Å
425	Q	98	Very high	97.5	Very high	50 Å²	50	12.7 Å²	12.7	23%	0.234	7%	0.074	C	C	.	.	H	α-helix	trans	-64.6	-43	176.6	-176.8	58.6	35	0	0	112	P421 S422 F423 S427 Q428 E429 K520	P421-Q425 WeakPolarHBondContact O-CB 3.45Å; P421-Q425 PolarHBondContact O-N 2.84Å; P421-Q425 VanDerWaalsContact O-N 3.09Å; S422-Q425 PolarHBondContact O-N 2.83Å; F423-Q425 VanDerWaalsContact C-N 3.3Å; F423-Q425 PolarHBondContact O-N 3.45Å; Q425-S427 PolarHBondContact O-N 3.16Å; Q425-Q428 PolarHBondContact O-N 3.07Å; Q425-E429 WeakPolarHBondContact CG-OE1 3.46Å; Q425-E429 PolarHBondContact NE2-OE1 3.45Å; Q425-E429 WeakPolarHBondContact O-CG 3.38Å; Q425-E429 PolarHBondContact O-N 3.3Å; Q425-K520 HydrophobicContact CB-CD 4.18Å; Q425-K520 HydrophobicContact CG-CD 3.98Å
426	F	98.4	Very high	96.9	Very high	0 Å²	0	13.3 Å²	13.3	0%	0	8%	0.08	C	C	.	.	H	α-helix	trans	-58.6	-47.1	174.8	177.6	-114	0	0	0	111.7	S422 F423 Q428 E429 I430 T452 V453 F491 A519 K520 F523	S422-F426 PolarHBondContact O-N 2.99Å; F423-F426 PolarHBondContact O-N 3.33Å; F426-Q428 VanDerWaalsContact C-N 3.31Å; F426-Q428 PolarHBondContact O-N 2.67Å; F426-E429 PolarHBondContact O-N 3.07Å; F426-E429 VanDerWaalsContact O-N 3.15Å; F426-I430 HydrophobicContact CD1-CD1 4.31Å; F426-I430 HydrophobicContact CE1-CD1 3.78Å; F426-I430 HydrophobicContact CE2-CD1 4.49Å; F426-I430 HydrophobicContact CZ-CD1 3.89Å; F426-I430 HydrophobicContact CZ-CG1 4.45Å; F426-I430 PolarHBondContact O-N 3.32Å; F426-I430 VanDerWaalsContact O-N 3.16Å; F426-T452 HydrophobicContact CE1-CG2 4.32Å; F426-T452 HydrophobicContact CZ-CG2 4.09Å; F426-V453 HydrophobicContact CE1-CG2 4.31Å; F426-F491 HydrophobicContact CZ-CE1 4.5Å; F426-F491 HydrophobicContact CZ-CZ 4.38Å; F426-A519 HydrophobicContact CD2-CB 4.46Å; F426-A519 HydrophobicContact CE2-CB 4.19Å; F426-K520 HydrophobicContact CB-CD 4.06Å; F426-K520 HydrophobicContact CB-CG 3.66Å; F426-K520 HydrophobicContact CD2-CG 3.72Å; F426-K520 HydrophobicContact CG-CG 4.15Å; F426-F523 HydrophobicContact CE2-CB 4Å; F426-F523 HydrophobicContact CE2-CD2 4.47Å; F426-F523 HydrophobicContact CE2-CG 4.16Å
427	S	98.5	Very high	96.4	Very high	2 Å²	2	13.4 Å²	13.4	1%	0.014	8%	0.081	C	C	.	.	H	α-helix	trans	-59.8	-41.9	177.4	-59.6	0	0	0	0	111.8	F423 A424 Q425 I430 G431	F423-S427 WeakPolarHBondContact CE1-OG 3.43Å; F423-S427 WeakPolarHBondContact O-CB 3.42Å; F423-S427 PolarHBondContact O-N 3.06Å; F423-S427 PolarHBondContact O-OG 3.49Å; A424-S427 PolarHBondContact O-N 3.46Å; Q425-S427 PolarHBondContact O-N 3.16Å; S427-I430 PolarHBondContact O-N 2.7Å; S427-G431 PolarHBondContact O-N 3.44Å
428	Q	98.3	Very high	95.8	Very high	5 Å²	5	15.4 Å²	15.4	2%	0.023	10%	0.095	C	C	.	.	H	α-helix	trans	-66.1	-38	176.1	-176.6	176	29.6	0	0	112.5	L382 A383 R385 A424 Q425 F426 I430 G431 L432	L382-Q428 WeakPolarHBondContact O-CA 3.33Å; A383-Q428 PolarHBondContact O-NE2 3.44Å; R385-Q428 HydrophobicContact CG-CB 4.28Å; R385-Q428 HydrophobicContact CG-CG 4.16Å; R385-Q428 VanDerWaalsContact CZ-OE1 3.29Å; A424-Q428 WeakPolarHBondContact O-CB 3.49Å; A424-Q428 PolarHBondContact O-N 2.63Å; Q425-Q428 PolarHBondContact O-N 3.07Å; F426-Q428 VanDerWaalsContact C-N 3.31Å; F426-Q428 PolarHBondContact O-N 2.67Å; Q428-I430 VanDerWaalsContact C-N 3.33Å; Q428-I430 PolarHBondContact O-N 2.6Å; Q428-G431 CarbonylContact O-C 3.03Å; Q428-G431 WeakPolarHBondContact O-CA 3.4Å; Q428-G431 PolarHBondContact O-N 2.69Å; Q428-G431 VanDerWaalsContact O-N 3.09Å; Q428-L432 HydrophobicContact CG-CD1 4.05Å; Q428-L432 HydrophobicContact CG-CG 4.27Å; Q428-L432 WeakPolarHBondContact O-CG 3.21Å; Q428-L432 PolarHBondContact O-N 3.02Å
429	E	97.7	Very high	95.1	Very high	20 Å²	20	20.2 Å²	20.2	9%	0.093	12%	0.121	C	C	.	.	H	α-helix	trans	-63.4	-39.2	178.2	-77	175.1	-156.6	0	0	112.1	Q425 F426 G431 L432 A433 F523 R524	Q425-E429 WeakPolarHBondContact CG-OE1 3.46Å; Q425-E429 PolarHBondContact NE2-OE1 3.45Å; Q425-E429 WeakPolarHBondContact O-CG 3.38Å; Q425-E429 PolarHBondContact O-N 3.3Å; F426-E429 PolarHBondContact O-N 3.07Å; F426-E429 VanDerWaalsContact O-N 3.15Å; E429-G431 VanDerWaalsContact C-N 3.28Å; E429-G431 PolarHBondContact O-N 2.89Å; E429-L432 PolarHBondContact O-N 3.14Å; E429-A433 WeakPolarHBondContact O-CB 3.45Å; E429-A433 PolarHBondContact O-N 2.62Å; E429-F523 HydrophobicContact CB-CD1 4.07Å; E429-F523 HydrophobicContact CB-CE1 4.01Å; E429-R524 VanDerWaalsContact CD-NE 3.33Å; E429-R524 IonicContact OE1-CZ 3.86Å; E429-R524 IonicContact OE1-NE 2.7Å; E429-R524 PolarHBondContact OE1-NE 3.35Å; E429-R524 VanDerWaalsContact OE1-NE 3.14Å; E429-R524 IonicContact OE1-NH2 3.79Å; E429-R524 PolarHBondContact OE1-NH2 3.15Å; E429-R524 WeakPolarHBondContact OE2-CG 3.43Å; E429-R524 IonicContact OE2-CZ 2.91Å; E429-R524 IonicContact OE2-NE 2.71Å; E429-R524 PolarHBondContact OE2-NE 3.45Å; E429-R524 IonicContact OE2-NH2 3.17Å
430	I	97.6	Very high	94.6	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-58.2	-45.9	170.6	-60	172.5	0	0	0	110.1	L379 F426 S427 Q428 A433 S434 L445 Y449 V453 F523	L379-I430 HydrophobicContact CD2-CG2 3.86Å; F426-I430 HydrophobicContact CD1-CD1 4.31Å; F426-I430 HydrophobicContact CE1-CD1 3.78Å; F426-I430 HydrophobicContact CE2-CD1 4.49Å; F426-I430 HydrophobicContact CZ-CD1 3.89Å; F426-I430 HydrophobicContact CZ-CG1 4.45Å; F426-I430 PolarHBondContact O-N 3.32Å; F426-I430 VanDerWaalsContact O-N 3.16Å; S427-I430 PolarHBondContact O-N 2.7Å; Q428-I430 VanDerWaalsContact C-N 3.33Å; Q428-I430 PolarHBondContact O-N 2.6Å; I430-A433 PolarHBondContact O-N 3.47Å; I430-S434 PolarHBondContact O-N 3.09Å; I430-S434 VanDerWaalsContact O-N 3.11Å; I430-L445 HydrophobicContact CG2-CD2 4.47Å; I430-Y449 HydrophobicContact CD1-CD2 4.1Å; I430-Y449 HydrophobicContact CG2-CD2 4.35Å; I430-V453 HydrophobicContact CD1-CG2 4.14Å; I430-F523 HydrophobicContact CB-CZ 4.2Å; I430-F523 HydrophobicContact CG1-CE1 4.21Å; I430-F523 HydrophobicContact CG1-CE2 3.99Å; I430-F523 HydrophobicContact CG1-CZ 3.81Å
431	G	97.6	Very high	94.3	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-60.9	-46.4	177.5	0	0	0	0	0	113	L379 S427 Q428 E429 A433 S434	L379-G431 WeakPolarHBondContact O-CA 3.34Å; S427-G431 PolarHBondContact O-N 3.44Å; Q428-G431 CarbonylContact O-C 3.03Å; Q428-G431 WeakPolarHBondContact O-CA 3.4Å; Q428-G431 PolarHBondContact O-N 2.69Å; Q428-G431 VanDerWaalsContact O-N 3.09Å; E429-G431 VanDerWaalsContact C-N 3.28Å; E429-G431 PolarHBondContact O-N 2.89Å; G431-A433 VanDerWaalsContact C-N 3.33Å; G431-A433 PolarHBondContact O-N 3.06Å; G431-S434 WeakPolarHBondContact O-CB 3.42Å; G431-S434 PolarHBondContact O-N 3.19Å; G431-S434 VanDerWaalsContact O-N 3.13Å; G431-S434 PolarHBondContact O-OG 3.14Å
432	L	96.6	Very high	93.9	Very high	26 Å²	26	21 Å²	21	14%	0.136	12%	0.115	C	C	.	.	H	α-helix	trans	-63.2	-37.9	177.7	-71.7	168.5	0	0	0	112.2	A383 Q428 E429 S434 L435 R532 V536 F538 V545	A383-L432 HydrophobicContact CB-CD2 4.01Å; A383-L432 HydrophobicContact CB-CG 4.28Å; Q428-L432 HydrophobicContact CG-CD1 4.05Å; Q428-L432 HydrophobicContact CG-CG 4.27Å; Q428-L432 WeakPolarHBondContact O-CG 3.21Å; Q428-L432 PolarHBondContact O-N 3.02Å; E429-L432 PolarHBondContact O-N 3.14Å; L432-S434 VanDerWaalsContact C-N 3.26Å; L432-S434 PolarHBondContact O-N 3.18Å; L432-L435 HydrophobicContact CD2-CD1 4.36Å; L432-L435 PolarHBondContact O-N 3.31Å; L432-R532 PolarHBondContact O-NH1 2.5Å; L432-V536 HydrophobicContact CB-CG2 4.17Å; L432-V536 HydrophobicContact CD2-CG2 3.96Å; L432-F538 HydrophobicContact CD2-CB 4.16Å; L432-V545 HydrophobicContact CD2-CG2 4.37Å
433	A	95.4	Very high	93.7	Very high	6 Å²	6	26.3 Å²	26.3	5%	0.05	14%	0.137	C	C	.	.	H	α-helix	trans	-65.1	-30.2	175.4	0	0	0	0	0	112.5	E429 I430 G431 L435 L445 F523 V527	E429-A433 WeakPolarHBondContact O-CB 3.45Å; E429-A433 PolarHBondContact O-N 2.62Å; I430-A433 PolarHBondContact O-N 3.47Å; G431-A433 VanDerWaalsContact C-N 3.33Å; G431-A433 PolarHBondContact O-N 3.06Å; A433-L435 VanDerWaalsContact C-N 3.3Å; A433-L435 PolarHBondContact O-N 2.94Å; A433-L445 HydrophobicContact CB-CD1 4.28Å; A433-L445 HydrophobicContact CB-CD2 3.83Å; A433-F523 HydrophobicContact CB-CE1 4.07Å; A433-F523 HydrophobicContact CB-CZ 3.84Å; A433-V527 HydrophobicContact CB-CG1 3.92Å; A433-V527 HydrophobicContact CB-CG2 3.71Å
434	S	95	Very high	93.5	Very high	4 Å²	4	29.1 Å²	29.1	3%	0.028	15%	0.15	C	C	.	.	H	α-helix	trans	-71.3	-22.1	179	80.6	0	0	0	0	114.2	A380 I430 G431 L432 G436 A437	A380-S434 PolarHBondContact N-OG 3.37Å; I430-S434 PolarHBondContact O-N 3.09Å; I430-S434 VanDerWaalsContact O-N 3.11Å; G431-S434 WeakPolarHBondContact O-CB 3.42Å; G431-S434 PolarHBondContact O-N 3.19Å; G431-S434 VanDerWaalsContact O-N 3.13Å; G431-S434 PolarHBondContact O-OG 3.14Å; L432-S434 VanDerWaalsContact C-N 3.26Å; L432-S434 PolarHBondContact O-N 3.18Å; S434-G436 PolarHBondContact O-N 3.32Å; S434-A437 WeakPolarHBondContact O-CB 3.25Å; S434-A437 PolarHBondContact O-N 3.23Å
435	L	92.5	Very high	93.4	Very high	1 Å²	1	29.1 Å²	29.1	1%	0.005	15%	0.15	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.2	116.4	-176	-58.1	-175.3	0	0	0	110.9	F245 P246 A380 A383 L432 A433 A437 R532 V545	F245-L435 HydrophobicContact CB-CB 4.41Å; F245-L435 HydrophobicContact CB-CD2 4.16Å; F245-L435 HydrophobicContact CD2-CB 3.78Å; F245-L435 HydrophobicContact CD2-CD1 4.28Å; F245-L435 HydrophobicContact CD2-CD2 4.23Å; F245-L435 HydrophobicContact CD2-CG 4.32Å; F245-L435 HydrophobicContact CE2-CB 4.18Å; F245-L435 HydrophobicContact CG-CB 4.08Å; P246-L435 HydrophobicContact CG-CD2 4.49Å; A380-L435 HydrophobicContact CB-CD2 3.83Å; A383-L435 HydrophobicContact CB-CD1 3.7Å; A383-L435 HydrophobicContact CB-CD2 4.19Å; A383-L435 HydrophobicContact CB-CG 4.06Å; L432-L435 HydrophobicContact CD2-CD1 4.36Å; L432-L435 PolarHBondContact O-N 3.31Å; A433-L435 VanDerWaalsContact C-N 3.3Å; A433-L435 PolarHBondContact O-N 2.94Å; L435-A437 VanDerWaalsContact C-N 3.26Å; L435-A437 PolarHBondContact O-N 3.47Å; L435-R532 WeakPolarHBondContact O-CD 3.25Å; L435-R532 PolarHBondContact O-NH1 2.76Å; L435-R532 VanDerWaalsContact O-NH1 3.1Å; L435-V545 HydrophobicContact CD1-CB 4.08Å; L435-V545 HydrophobicContact CD1-CG1 3.63Å; L435-V545 HydrophobicContact CD1-CG2 3.68Å
436	G	85.4	Confident	93.3	Very high	13 Å²	13	28 Å²	28	13%	0.134	15%	0.147	C	C	.	.	T	Hydrogen-bonded Turn	trans	77.4	3.6	-177.1	0	0	0	0	0	115	S434	S434-G436 PolarHBondContact O-N 3.32Å
437	A	88.1	Confident	93.2	Very high	2 Å²	2	28.8 Å²	28.8	2%	0.017	15%	0.152	C	C	.	.			trans	-68.7	144.3	178	0	0	0	0	0	111.9	R376 S434 L435 E441 I442 L445	R376-A437 PolarHBondContact NH1-O 3.44Å; R376-A437 PolarHBondContact NH2-O 3.04Å; S434-A437 WeakPolarHBondContact O-CB 3.25Å; S434-A437 PolarHBondContact O-N 3.23Å; L435-A437 VanDerWaalsContact C-N 3.26Å; L435-A437 PolarHBondContact O-N 3.47Å; A437-E441 HydrophobicContact CB-CB 3.9Å; A437-I442 HydrophobicContact CB-CD1 3.94Å; A437-I442 HydrophobicContact CB-CG1 4.18Å; A437-L445 HydrophobicContact CB-CD1 4.31Å
438	S	85.7	Confident	93.2	Very high	42 Å²	42	28.7 Å²	28.7	29%	0.294	15%	0.151	S	C	.	.			trans	-63.1	164.8	172.7	63.2	0	0	0	0	112.1	E440 E441 I442	S438-E440 VanDerWaalsContact C-N 3.28Å; S438-E440 PolarHBondContact O-N 3.43Å; S438-E441 WeakPolarHBondContact CB-OE2 3.39Å; S438-E441 PolarHBondContact N-OE2 3.37Å; S438-E441 PolarHBondContact O-N 2.93Å; S438-E441 WeakPolarHBondContact OG-CB 3.17Å; S438-E441 VanDerWaalsContact OG-CD 3.27Å; S438-E441 WeakPolarHBondContact OG-CG 3.28Å; S438-E441 PolarHBondContact OG-N 3.5Å; S438-E441 PolarHBondContact OG-OE2 3.33Å; S438-I442 WeakPolarHBondContact O-CG1 3.26Å; S438-I442 PolarHBondContact O-N 3.23Å
439	D	84.1	Confident	93.2	Very high	103 Å²	103	29.1 Å²	29.1	55%	0.551	15%	0.153	S	C	*	.	H	α-helix	trans	-59.3	-39.7	177.9	-69.9	-22.5	0	0	0	111.8	R376 E441 I442 E443	R376-D439 IonicContact CZ-OD1 3.48Å; R376-D439 IonicContact NE-OD1 3.45Å; R376-D439 IonicContact NH2-OD1 3.29Å; R376-D439 PolarHBondContact NH2-OD1 3.49Å; D439-E441 PolarHBondContact O-N 3.08Å; D439-I442 PolarHBondContact O-N 3.44Å; D439-E443 WeakPolarHBondContact O-CG 3.38Å; D439-E443 PolarHBondContact O-N 3.37Å
440	E	87.5	Confident	93.1	Very high	120 Å²	120	30.4 Å²	30.4	56%	0.561	16%	0.157	S	C	*	.	H	α-helix	trans	-63.4	-40.1	176.3	-170.3	-168.5	149.9	0	0	112.1	S438 E443 K444	S438-E440 VanDerWaalsContact C-N 3.28Å; S438-E440 PolarHBondContact O-N 3.43Å; E440-E443 PolarHBondContact O-N 2.83Å; E440-K444 WeakPolarHBondContact O-CG 3.35Å; E440-K444 PolarHBondContact O-N 2.82Å; E440-K444 VanDerWaalsContact O-N 3.15Å; E440-K444 WeakPolarHBondContact OE1-CE 3.36Å; E440-K444 IonicContact OE1-NZ 2.65Å; E440-K444 PolarHBondContact OE1-NZ 3.16Å
441	E	90.9	Very high	93.1	Very high	16 Å²	16	30.5 Å²	30.5	8%	0.075	16%	0.157	C	C	.	.	H	α-helix	trans	-70.5	-35.1	176	-73	162.1	151.2	0	0	111.8	A437 S438 D439 K444 L445 S531	A437-E441 HydrophobicContact CB-CB 3.9Å; S438-E441 WeakPolarHBondContact CB-OE2 3.39Å; S438-E441 PolarHBondContact N-OE2 3.37Å; S438-E441 PolarHBondContact O-N 2.93Å; S438-E441 WeakPolarHBondContact OG-CB 3.17Å; S438-E441 VanDerWaalsContact OG-CD 3.27Å; S438-E441 WeakPolarHBondContact OG-CG 3.28Å; S438-E441 PolarHBondContact OG-N 3.5Å; S438-E441 PolarHBondContact OG-OE2 3.33Å; D439-E441 PolarHBondContact O-N 3.08Å; E441-K444 WeakPolarHBondContact O-CB 3.39Å; E441-K444 PolarHBondContact O-N 3Å; E441-L445 WeakPolarHBondContact O-CB 3.34Å; E441-L445 WeakPolarHBondContact O-CG 3.32Å; E441-L445 PolarHBondContact O-N 2.79Å; E441-S531 PolarHBondContact OE1-N 3.12Å; E441-S531 PolarHBondContact OE1-OG 2.88Å
442	I	91.1	Very high	93.2	Very high	10 Å²	10	30.5 Å²	30.5	5%	0.051	16%	0.157	C	C	.	.	H	α-helix	trans	-63.1	-41.2	172.4	-69.9	-62.2	0	0	0	111.2	A375 R376 A437 S438 D439 K444 L445 S446	A375-I442 HydrophobicContact CB-CG2 3.82Å; R376-I442 HydrophobicContact CB-CG2 4.32Å; A437-I442 HydrophobicContact CB-CD1 3.94Å; A437-I442 HydrophobicContact CB-CG1 4.18Å; S438-I442 WeakPolarHBondContact O-CG1 3.26Å; S438-I442 PolarHBondContact O-N 3.23Å; D439-I442 PolarHBondContact O-N 3.44Å; I442-K444 VanDerWaalsContact C-N 3.33Å; I442-K444 PolarHBondContact O-N 3.28Å; I442-L445 HydrophobicContact CD1-CD1 4.4Å; I442-L445 PolarHBondContact O-N 3.36Å; I442-S446 VanDerWaalsContact O-CB 3.27Å; I442-S446 WeakPolarHBondContact O-CB 3.25Å; I442-S446 PolarHBondContact O-N 3.37Å
443	E	91.9	Very high	93.2	Very high	131 Å²	131	29.3 Å²	29.3	61%	0.612	15%	0.151	S	C	*	.	H	α-helix	trans	-60.8	-43.9	175.2	-73.1	175.5	-177.8	0	0	111.4	D439 E440 S446 T447	D439-E443 WeakPolarHBondContact O-CG 3.38Å; D439-E443 PolarHBondContact O-N 3.37Å; E440-E443 PolarHBondContact O-N 2.83Å; E443-S446 PolarHBondContact O-N 2.69Å; E443-T447 WeakPolarHBondContact O-CB 3.46Å; E443-T447 PolarHBondContact O-N 3.25Å; E443-T447 PolarHBondContact O-OG1 3.38Å
444	K	95.6	Very high	93.2	Very high	61 Å²	61	30.1 Å²	30.1	27%	0.265	15%	0.154	S	C	.	.	H	α-helix	trans	-61.4	-47.3	174.8	-75.2	174.3	-170.3	164.9	0	112.2	E440 E441 I442 T447 V448 A497 W526	E440-K444 WeakPolarHBondContact O-CG 3.35Å; E440-K444 PolarHBondContact O-N 2.82Å; E440-K444 VanDerWaalsContact O-N 3.15Å; E440-K444 WeakPolarHBondContact OE1-CE 3.36Å; E440-K444 IonicContact OE1-NZ 2.65Å; E440-K444 PolarHBondContact OE1-NZ 3.16Å; E441-K444 WeakPolarHBondContact O-CB 3.39Å; E441-K444 PolarHBondContact O-N 3Å; I442-K444 VanDerWaalsContact C-N 3.33Å; I442-K444 PolarHBondContact O-N 3.28Å; K444-T447 WeakPolarHBondContact O-CB 3.28Å; K444-T447 PolarHBondContact O-N 3.21Å; K444-V448 PolarHBondContact O-N 3.23Å; K444-A497 HydrophobicContact CB-CB 3.96Å; K444-A497 HydrophobicContact CG-CB 4.24Å; K444-W526 HydrophobicContact CB-CH2 4.05Å; K444-W526 HydrophobicContact CB-CZ2 4.1Å
445	L	96.4	Very high	93.2	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-63.1	-41.4	177	-75.5	165.4	0	0	0	112	L379 I430 A433 A437 E441 I442 T447 V448 Y449 F523 W526 M530	L379-L445 HydrophobicContact CD1-CB 3.95Å; I430-L445 HydrophobicContact CG2-CD2 4.47Å; A433-L445 HydrophobicContact CB-CD1 4.28Å; A433-L445 HydrophobicContact CB-CD2 3.83Å; A437-L445 HydrophobicContact CB-CD1 4.31Å; E441-L445 WeakPolarHBondContact O-CB 3.34Å; E441-L445 WeakPolarHBondContact O-CG 3.32Å; E441-L445 PolarHBondContact O-N 2.79Å; I442-L445 HydrophobicContact CD1-CD1 4.4Å; I442-L445 PolarHBondContact O-N 3.36Å; L445-T447 VanDerWaalsContact C-N 3.26Å; L445-T447 PolarHBondContact O-N 2.77Å; L445-V448 PolarHBondContact O-N 2.72Å; L445-Y449 WeakPolarHBondContact O-CB 3.27Å; L445-Y449 PolarHBondContact O-N 3.39Å; L445-F523 HydrophobicContact CD2-CE2 3.9Å; L445-F523 HydrophobicContact CD2-CZ 3.69Å; L445-W526 HydrophobicContact CD2-CH2 4.33Å; L445-W526 HydrophobicContact CD2-CZ3 3.88Å; L445-M530 HydrophobicContact CD2-CE 3.96Å; L445-M530 HydrophobicContact CG-CE 4.06Å
446	S	95.4	Very high	93.5	Very high	26 Å²	26	30.6 Å²	30.6	18%	0.182	16%	0.156	C	C	.	.	H	α-helix	trans	-61.9	-36.4	174.9	-171.9	0	0	0	0	111.6	I442 E443 Y449 W450	I442-S446 VanDerWaalsContact O-CB 3.27Å; I442-S446 WeakPolarHBondContact O-CB 3.25Å; I442-S446 PolarHBondContact O-N 3.37Å; E443-S446 PolarHBondContact O-N 2.69Å; S446-Y449 PolarHBondContact O-N 3.3Å; S446-W450 WeakPolarHBondContact O-CB 3.29Å; S446-W450 PolarHBondContact O-N 2.94Å
447	T	96.9	Very high	94.1	Very high	16 Å²	16	30 Å²	30	10%	0.098	15%	0.149	C	C	.	.	H	α-helix	trans	-70.4	-41.7	177.2	-56.6	0	0	0	0	111.1	E443 K444 L445 Y449 W450 F451 T496 Q499 Y501	E443-T447 WeakPolarHBondContact O-CB 3.46Å; E443-T447 PolarHBondContact O-N 3.25Å; E443-T447 PolarHBondContact O-OG1 3.38Å; K444-T447 WeakPolarHBondContact O-CB 3.28Å; K444-T447 PolarHBondContact O-N 3.21Å; L445-T447 VanDerWaalsContact C-N 3.26Å; L445-T447 PolarHBondContact O-N 2.77Å; T447-Y449 VanDerWaalsContact C-N 3.33Å; T447-Y449 PolarHBondContact O-N 3.09Å; T447-W450 WeakPolarHBondContact O-CB 3.33Å; T447-W450 PolarHBondContact O-N 2.93Å; T447-F451 HydrophobicContact CG2-CD2 3.9Å; T447-F451 HydrophobicContact CG2-CE2 3.96Å; T447-F451 WeakPolarHBondContact O-CD2 3.1Å; T447-F451 PolarHBondContact O-N 2.89Å; T447-T496 VanDerWaalsContact CG2-O 3.24Å; T447-T496 WeakPolarHBondContact CG2-O 3.38Å; T447-Q499 VanDerWaalsContact CG2-O 3.27Å; T447-Q499 WeakPolarHBondContact CG2-O 3.1Å; T447-Y501 HydrophobicContact CG2-CD1 4.1Å; T447-Y501 HydrophobicContact CG2-CE1 4.21Å
448	V	98.2	Very high	94.6	Very high	0 Å²	0	30.2 Å²	30.2	0%	0	15%	0.15	C	C	.	.	H	α-helix	trans	-60.3	-44.8	171.6	171.3	0	0	0	0	110.7	K444 L445 W450 F451 T452 F491 A497 F523 W526	K444-V448 PolarHBondContact O-N 3.23Å; L445-V448 PolarHBondContact O-N 2.72Å; V448-W450 VanDerWaalsContact C-N 3.33Å; V448-W450 PolarHBondContact O-N 3.02Å; V448-F451 PolarHBondContact O-N 3.43Å; V448-T452 HydrophobicContact CG1-CG2 4.4Å; V448-T452 WeakPolarHBondContact O-CB 3.31Å; V448-T452 WeakPolarHBondContact O-CG2 3.22Å; V448-T452 PolarHBondContact O-N 2.93Å; V448-T452 PolarHBondContact O-OG1 3.07Å; V448-F491 HydrophobicContact CG1-CE2 4.1Å; V448-F491 HydrophobicContact CG1-CZ 4.01Å; V448-A497 HydrophobicContact CG2-CB 3.72Å; V448-F523 HydrophobicContact CG1-CD2 4.16Å; V448-F523 HydrophobicContact CG1-CE2 4.13Å; V448-W526 HydrophobicContact CG2-CH2 3.92Å; V448-W526 HydrophobicContact CG2-CZ3 3.94Å
449	Y	97.8	Very high	95.2	Very high	14 Å²	14	32.6 Å²	32.6	6%	0.055	16%	0.156	C	C	.	.	H	α-helix	trans	-58.3	-45.3	176.6	-172.4	-90.5	0	0	0	111.6	F378 L379 L382 I430 L445 S446 T447 F451 T452 V453 E454	F378-Y449 AromaticContact CE1-CE1 3.74Å; F378-Y449 HydrophobicContact CE1-CE1 3.74Å; F378-Y449 AromaticContact CE1-CE2 3.98Å; F378-Y449 HydrophobicContact CE1-CE2 3.98Å; F378-Y449 AromaticContact CE1-CZ 3.44Å; F378-Y449 VanDerWaalsContact CE1-CZ 3.44Å; F378-Y449 WeakPolarHBondContact CE1-OH 3.29Å; F378-Y449 HydrophobicContact CZ-CE1 4.35Å; F378-Y449 AromaticContact CZ-CZ 3.92Å; F378-Y449 WeakPolarHBondContact CZ-OH 3.45Å; L379-Y449 HydrophobicContact CD2-CD2 3.88Å; L379-Y449 HydrophobicContact CD2-CE2 4.47Å; L379-Y449 HydrophobicContact CD2-CG 4.09Å; L382-Y449 HydrophobicContact CD1-CD2 4.15Å; L382-Y449 HydrophobicContact CD1-CE2 3.59Å; I430-Y449 HydrophobicContact CD1-CD2 4.1Å; I430-Y449 HydrophobicContact CG2-CD2 4.35Å; L445-Y449 WeakPolarHBondContact O-CB 3.27Å; L445-Y449 PolarHBondContact O-N 3.39Å; S446-Y449 PolarHBondContact O-N 3.3Å; T447-Y449 VanDerWaalsContact C-N 3.33Å; T447-Y449 PolarHBondContact O-N 3.09Å; Y449-F451 PolarHBondContact O-N 2.91Å; Y449-T452 CarbonylContact O-C 3.51Å; Y449-T452 PolarHBondContact O-N 2.8Å; Y449-T452 PolarHBondContact O-OG1 3.05Å; Y449-V453 HydrophobicContact CD1-CB 4.33Å; Y449-V453 HydrophobicContact CD2-CB 3.85Å; Y449-V453 HydrophobicContact CD2-CG1 4.42Å; Y449-V453 HydrophobicContact CD2-CG2 3.72Å; Y449-V453 HydrophobicContact CE1-CB 4.05Å; Y449-V453 HydrophobicContact CE1-CG1 4.11Å; Y449-V453 HydrophobicContact CE2-CB 3.52Å; Y449-V453 HydrophobicContact CE2-CG1 3.59Å; Y449-V453 HydrophobicContact CE2-CG2 3.58Å; Y449-V453 HydrophobicContact CG-CB 4.23Å; Y449-V453 HydrophobicContact CG-CG2 4.45Å; Y449-V453 PolarHBondContact O-N 3.48Å; Y449-V453 VanDerWaalsContact OH-CG1 3.28Å; Y449-V453 WeakPolarHBondContact OH-CG1 3.35Å; Y449-E454 HydrophobicContact CD1-CG 4.06Å; Y449-E454 HydrophobicContact CE1-CG 3.93Å; Y449-E454 VanDerWaalsContact CE1-OE1 3.25Å; Y449-E454 WeakPolarHBondContact CE1-OE1 3.31Å; Y449-E454 PolarHBondContact O-N 3.35Å
450	W	96.2	Very high	95.7	Very high	47 Å²	47	29.2 Å²	29.2	18%	0.178	14%	0.136	C	C	.	.	I	π-helix	trans	-57.8	-50.4	176.5	-174.5	-91.7	0	0	0	112.6	S446 T447 V448 T452 E454 F455 Y501 Q502 D503	S446-W450 WeakPolarHBondContact O-CB 3.29Å; S446-W450 PolarHBondContact O-N 2.94Å; T447-W450 WeakPolarHBondContact O-CB 3.33Å; T447-W450 PolarHBondContact O-N 2.93Å; V448-W450 VanDerWaalsContact C-N 3.33Å; V448-W450 PolarHBondContact O-N 3.02Å; W450-T452 PolarHBondContact O-N 3.48Å; W450-E454 HydrophobicContact CE3-CB 4.46Å; W450-E454 HydrophobicContact CE3-CG 4.22Å; W450-E454 WeakPolarHBondContact O-CB 3.48Å; W450-F455 AromaticContact CD2-CD2 3.98Å; W450-F455 HydrophobicContact CD2-CD2 3.98Å; W450-F455 HydrophobicContact CD2-CE2 4.04Å; W450-F455 AromaticContact CE2-CD2 3.55Å; W450-F455 AromaticContact CE2-CE2 3.47Å; W450-F455 VanDerWaalsContact CE2-CE2 3.47Å; W450-F455 HydrophobicContact CE3-CE2 4.33Å; W450-F455 HydrophobicContact CG-CD2 4.32Å; W450-F455 AromaticContact CH2-CE2 3.65Å; W450-F455 HydrophobicContact CH2-CE2 3.65Å; W450-F455 HydrophobicContact CH2-CZ 4.42Å; W450-F455 AromaticContact CZ2-CD2 3.87Å; W450-F455 HydrophobicContact CZ2-CD2 3.87Å; W450-F455 AromaticContact CZ2-CE2 3.29Å; W450-F455 HydrophobicContact CZ2-CE2 3.29Å; W450-F455 HydrophobicContact CZ2-CZ 4.13Å; W450-F455 HydrophobicContact CZ3-CE2 4.15Å; W450-F455 AromaticContact NE1-CD2 3.59Å; W450-F455 AromaticContact NE1-CE2 3.96Å; W450-F455 PolarHBondContact O-N 2.7Å; W450-Y501 HydrophobicContact CB-CD1 4.41Å; W450-Y501 HydrophobicContact CB-CE1 4.28Å; W450-Y501 AromaticContact CD1-CD2 3.78Å; W450-Y501 AromaticContact CD1-CG 3.55Å; W450-Y501 AromaticContact CD2-CD2 3.54Å; W450-Y501 HydrophobicContact CD2-CD2 3.54Å; W450-Y501 AromaticContact CD2-CE2 3.61Å; W450-Y501 HydrophobicContact CD2-CE2 3.61Å; W450-Y501 HydrophobicContact CD2-CG 4.11Å; W450-Y501 AromaticContact CE2-CD2 3.35Å; W450-Y501 AromaticContact CE2-CE2 3.88Å; W450-Y501 AromaticContact CE2-CG 3.94Å; W450-Y501 HydrophobicContact CE3-CD2 4.15Å; W450-Y501 AromaticContact CE3-CE2 3.8Å; W450-Y501 HydrophobicContact CE3-CE2 3.8Å; W450-Y501 HydrophobicContact CG-CD1 4.13Å; W450-Y501 AromaticContact CG-CD2 3.8Å; W450-Y501 HydrophobicContact CG-CD2 3.8Å; W450-Y501 HydrophobicContact CG-CE1 4.3Å; W450-Y501 AromaticContact CG-CE2 3.98Å; W450-Y501 HydrophobicContact CG-CE2 3.98Å; W450-Y501 AromaticContact CG-CG 3.87Å; W450-Y501 HydrophobicContact CG-CG 3.87Å; W450-Y501 HydrophobicContact CH2-CD2 4.37Å; W450-Y501 HydrophobicContact CH2-CE2 4.43Å; W450-Y501 AromaticContact CZ2-CD2 3.8Å; W450-Y501 HydrophobicContact CZ2-CD2 3.8Å; W450-Y501 HydrophobicContact CZ2-CE2 4.28Å; W450-Y501 HydrophobicContact CZ3-CE2 4.21Å; W450-Y501 AromaticContact NE1-CD2 3.51Å; W450-Y501 AromaticContact NE1-CG 3.6Å; W450-Q502 WeakPolarHBondContact CZ2-O 3.48Å; W450-D503 HydrophobicContact CH2-CB 4.1Å
451	F	97.5	Very high	96	Very high	2 Å²	2	32 Å²	32	1%	0.009	15%	0.149	C	C	.	.	I	π-helix	trans	-80.7	1.6	-178.1	-74.8	-66.8	0	0	0	114.6	T447 V448 Y449 G456 T496 Q499 Y501 Y511	T447-F451 HydrophobicContact CG2-CD2 3.9Å; T447-F451 HydrophobicContact CG2-CE2 3.96Å; T447-F451 WeakPolarHBondContact O-CD2 3.1Å; T447-F451 PolarHBondContact O-N 2.89Å; V448-F451 PolarHBondContact O-N 3.43Å; Y449-F451 PolarHBondContact O-N 2.91Å; F451-G456 WeakPolarHBondContact O-CA 3.49Å; F451-T496 HydrophobicContact CB-CG2 3.48Å; F451-T496 VanDerWaalsContact CB-CG2 3.48Å; F451-T496 HydrophobicContact CD2-CG2 4.05Å; F451-T496 HydrophobicContact CG-CG2 4.07Å; F451-Q499 HydrophobicContact CD2-CB 4.39Å; F451-Q499 HydrophobicContact CD2-CG 4.41Å; F451-Q499 HydrophobicContact CE1-CG 4.32Å; F451-Q499 HydrophobicContact CE2-CB 3.78Å; F451-Q499 HydrophobicContact CE2-CG 3.53Å; F451-Q499 HydrophobicContact CZ-CB 4.24Å; F451-Q499 HydrophobicContact CZ-CG 3.46Å; F451-Q499 VanDerWaalsContact CZ-CG 3.46Å; F451-Y501 HydrophobicContact CE2-CD1 4.14Å; F451-Y501 HydrophobicContact CE2-CG 4.43Å; F451-Y511 HydrophobicContact CB-CD2 3.72Å; F451-Y511 HydrophobicContact CB-CE2 4.37Å; F451-Y511 HydrophobicContact CB-CG 4.43Å; F451-Y511 AromaticContact CD1-CD2 3.62Å; F451-Y511 HydrophobicContact CD1-CD2 3.62Å; F451-Y511 AromaticContact CD1-CE2 3.97Å; F451-Y511 HydrophobicContact CD1-CE2 3.97Å; F451-Y511 HydrophobicContact CD2-CD2 4.42Å; F451-Y511 HydrophobicContact CD2-CE2 4.28Å; F451-Y511 HydrophobicContact CE1-CD2 4.33Å; F451-Y511 HydrophobicContact CE1-CE2 4.3Å; F451-Y511 AromaticContact CG-CD2 3.66Å; F451-Y511 HydrophobicContact CG-CD2 3.66Å; F451-Y511 AromaticContact CG-CE2 3.94Å; F451-Y511 HydrophobicContact CG-CE2 3.94Å
452	T	98.1	Very high	96.1	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	18%	0.18	C	C	.	.	I	π-helix	trans	-120.6	-79.5	175.7	56.9	0	0	0	0	110.7	F426 V448 Y449 W450 E454 G456 Y467 F491	F426-T452 HydrophobicContact CE1-CG2 4.32Å; F426-T452 HydrophobicContact CZ-CG2 4.09Å; V448-T452 HydrophobicContact CG1-CG2 4.4Å; V448-T452 WeakPolarHBondContact O-CB 3.31Å; V448-T452 WeakPolarHBondContact O-CG2 3.22Å; V448-T452 PolarHBondContact O-N 2.93Å; V448-T452 PolarHBondContact O-OG1 3.07Å; Y449-T452 CarbonylContact O-C 3.51Å; Y449-T452 PolarHBondContact O-N 2.8Å; Y449-T452 PolarHBondContact O-OG1 3.05Å; W450-T452 PolarHBondContact O-N 3.48Å; T452-E454 VanDerWaalsContact C-N 3.29Å; T452-E454 PolarHBondContact O-N 2.95Å; T452-G456 WeakPolarHBondContact O-CA 3.46Å; T452-G456 PolarHBondContact O-N 3.06Å; T452-Y467 VanDerWaalsContact C-CE2 3.48Å; T452-Y467 VanDerWaalsContact CA-OH 3.25Å; T452-Y467 WeakPolarHBondContact CA-OH 3.37Å; T452-Y467 VanDerWaalsContact CB-OH 3.28Å; T452-Y467 WeakPolarHBondContact CB-OH 3.36Å; T452-Y467 WeakPolarHBondContact O-CE2 3.32Å; T452-F491 HydrophobicContact CG2-CD2 3.74Å; T452-F491 HydrophobicContact CG2-CE1 4.34Å; T452-F491 HydrophobicContact CG2-CE2 3.35Å; T452-F491 HydrophobicContact CG2-CG 4.38Å; T452-F491 HydrophobicContact CG2-CZ 3.68Å
453	V	97.8	Very high	96.2	Very high	2 Å²	2	39.7 Å²	39.7	1%	0.012	20%	0.204	C	C	.	.	I	π-helix	trans	-63.5	-32.9	-174.1	-177.2	0	0	0	0	112.6	F423 F426 I430 Y449 G468 A469	F423-V453 HydrophobicContact CE1-CG1 4.38Å; F423-V453 HydrophobicContact CZ-CB 4.31Å; F423-V453 HydrophobicContact CZ-CG1 4Å; F423-V453 HydrophobicContact CZ-CG2 4Å; F426-V453 HydrophobicContact CE1-CG2 4.31Å; I430-V453 HydrophobicContact CD1-CG2 4.14Å; Y449-V453 HydrophobicContact CD1-CB 4.33Å; Y449-V453 HydrophobicContact CD2-CB 3.85Å; Y449-V453 HydrophobicContact CD2-CG1 4.42Å; Y449-V453 HydrophobicContact CD2-CG2 3.72Å; Y449-V453 HydrophobicContact CE1-CB 4.05Å; Y449-V453 HydrophobicContact CE1-CG1 4.11Å; Y449-V453 HydrophobicContact CE2-CB 3.52Å; Y449-V453 HydrophobicContact CE2-CG1 3.59Å; Y449-V453 HydrophobicContact CE2-CG2 3.58Å; Y449-V453 HydrophobicContact CG-CB 4.23Å; Y449-V453 HydrophobicContact CG-CG2 4.45Å; Y449-V453 PolarHBondContact O-N 3.48Å; Y449-V453 VanDerWaalsContact OH-CG1 3.28Å; Y449-V453 WeakPolarHBondContact OH-CG1 3.35Å; V453-G468 WeakPolarHBondContact O-CA 3.4Å; V453-A469 PolarHBondContact O-N 3.03Å
454	E	95.1	Very high	96.5	Very high	22 Å²	22	36 Å²	36	10%	0.103	19%	0.187	C	C	.	.	I	π-helix	trans	-87.3	-50.6	177.7	-62	-62.3	154.3	0	0	113.5	H409 H414 Y449 W450 T452 G468 A469 G470	H409-E454 IonicContact CE1-OE2 3.62Å; H409-E454 IonicContact NE2-OE2 3.16Å; H414-E454 IonicContact CE1-OE1 3.86Å; H414-E454 PolarHBondContact CE1-OE1 2.81Å; H414-E454 IonicContact CE1-OE2 2.82Å; H414-E454 IonicContact NE2-OE1 2.69Å; H414-E454 PolarHBondContact NE2-OE1 2.92Å; H414-E454 IonicContact NE2-OE2 3.46Å; Y449-E454 HydrophobicContact CD1-CG 4.06Å; Y449-E454 HydrophobicContact CE1-CG 3.93Å; Y449-E454 VanDerWaalsContact CE1-OE1 3.25Å; Y449-E454 WeakPolarHBondContact CE1-OE1 3.31Å; Y449-E454 PolarHBondContact O-N 3.35Å; W450-E454 HydrophobicContact CE3-CB 4.46Å; W450-E454 HydrophobicContact CE3-CG 4.22Å; W450-E454 WeakPolarHBondContact O-CB 3.48Å; T452-E454 VanDerWaalsContact C-N 3.29Å; T452-E454 PolarHBondContact O-N 2.95Å; E454-G468 CarbonylContact O-C 3.56Å; E454-G468 WeakPolarHBondContact O-CA 3.24Å; E454-A469 PolarHBondContact O-N 3.23Å; E454-A469 VanDerWaalsContact O-N 3.08Å; E454-G470 WeakPolarHBondContact O-CA 3.06Å; E454-G470 PolarHBondContact O-N 2.85Å
455	F	96.1	Very high	96.6	Very high	16 Å²	16	34.1 Å²	34.1	7%	0.07	18%	0.179	C	C	.	.	T	Hydrogen-bonded Turn	trans	-127.5	23.7	-171.5	-66.1	-80.1	0	0	0	114	W450 L471 E477 Q507 Y510	W450-F455 AromaticContact CD2-CD2 3.98Å; W450-F455 HydrophobicContact CD2-CD2 3.98Å; W450-F455 HydrophobicContact CD2-CE2 4.04Å; W450-F455 AromaticContact CE2-CD2 3.55Å; W450-F455 AromaticContact CE2-CE2 3.47Å; W450-F455 VanDerWaalsContact CE2-CE2 3.47Å; W450-F455 HydrophobicContact CE3-CE2 4.33Å; W450-F455 HydrophobicContact CG-CD2 4.32Å; W450-F455 AromaticContact CH2-CE2 3.65Å; W450-F455 HydrophobicContact CH2-CE2 3.65Å; W450-F455 HydrophobicContact CH2-CZ 4.42Å; W450-F455 AromaticContact CZ2-CD2 3.87Å; W450-F455 HydrophobicContact CZ2-CD2 3.87Å; W450-F455 AromaticContact CZ2-CE2 3.29Å; W450-F455 HydrophobicContact CZ2-CE2 3.29Å; W450-F455 HydrophobicContact CZ2-CZ 4.13Å; W450-F455 HydrophobicContact CZ3-CE2 4.15Å; W450-F455 AromaticContact NE1-CD2 3.59Å; W450-F455 AromaticContact NE1-CE2 3.96Å; W450-F455 PolarHBondContact O-N 2.7Å; F455-L471 HydrophobicContact CD1-CD2 3.81Å; F455-L471 HydrophobicContact CD1-CG 4.06Å; F455-L471 HydrophobicContact CE1-CD2 4.4Å; F455-E477 VanDerWaalsContact CE1-CD 3.45Å; F455-E477 HydrophobicContact CE1-CG 4.38Å; F455-E477 WeakPolarHBondContact CE1-OE1 3.39Å; F455-E477 WeakPolarHBondContact CE1-OE2 3.36Å; F455-Q507 HydrophobicContact CD1-CG 4.2Å; F455-Q507 HydrophobicContact CG-CG 4.14Å; F455-Y510 HydrophobicContact CB-CD1 4.26Å; F455-Y510 HydrophobicContact CB-CE1 4.28Å; F455-Y510 HydrophobicContact CD1-CE1 4.29Å; F455-Y510 WeakPolarHBondContact O-CD1 3.44Å
456	G	97.6	Very high	96.7	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	18%	0.179	C	C	.	.			trans	-75.5	144.8	-178.3	0	0	0	0	0	114.2	F451 T452 Y467 G468	F451-G456 WeakPolarHBondContact O-CA 3.49Å; T452-G456 WeakPolarHBondContact O-CA 3.46Å; T452-G456 PolarHBondContact O-N 3.06Å; G456-Y467 VanDerWaalsContact C-CE1 3.48Å; G456-Y467 PolarHBondContact O-N 2.79Å; G456-Y467 VanDerWaalsContact O-N 3.13Å; G456-G468 PolarHBondContact O-N 2.73Å
457	L	98.4	Very high	96.8	Very high	0 Å²	0	33 Å²	33	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	154.5	170.9	-60.4	175.7	0	0	0	109.4	I464 K465 A466 Y467 L471 A481 Y510 Y511 V512 A513	L457-I464 HydrophobicContact CB-CG2 3.96Å; L457-I464 HydrophobicContact CD1-CG2 3.79Å; L457-I464 HydrophobicContact CD2-CG2 4.35Å; L457-I464 HydrophobicContact CG-CG2 4.26Å; L457-K465 CarbonylContact C-O 3.58Å; L457-K465 VanDerWaalsContact CA-O 3.25Å; L457-K465 WeakPolarHBondContact CA-O 3.41Å; L457-A466 HydrophobicContact CD2-CB 3.98Å; L457-Y467 VanDerWaalsContact C-CE1 3.43Å; L457-Y467 WeakPolarHBondContact O-CE1 3.3Å; L457-L471 HydrophobicContact CD2-CD1 3.53Å; L457-L471 HydrophobicContact CG-CD1 4.32Å; L457-A481 HydrophobicContact CD2-CB 4.39Å; L457-Y510 HydrophobicContact CD1-CG 4.12Å; L457-Y511 PolarHBondContact N-O 2.9Å; L457-V512 HydrophobicContact CB-CG2 4.08Å; L457-V512 HydrophobicContact CD1-CG2 4.39Å; L457-V512 CarbonylContact O-C 3.25Å; L457-V512 VanDerWaalsContact O-CA 3.23Å; L457-V512 WeakPolarHBondContact O-CA 3.5Å; L457-A513 PolarHBondContact O-N 3.24Å
458	C	98.2	Very high	96.8	Very high	6 Å²	6	32.2 Å²	32.2	4%	0.041	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	164.9	173.7	66.7	0	0	0	0	111.7	C327 I464 K465 Y467 A513	C327-C458 WeakPolarHBondContact CB-SG 3.22Å; C458-I464 WeakPolarHBondContact O-CA 3.14Å; C458-K465 PolarHBondContact N-O 2.79Å; C458-K465 PolarHBondContact O-N 2.81Å; C458-Y467 HydrophobicContact CB-CD1 3.78Å; C458-Y467 HydrophobicContact CB-CE1 4.1Å; C458-A513 CarbonylContact C-O 3.55Å; C458-A513 WeakPolarHBondContact CA-O 3.43Å; C458-A513 HydrophobicContact CB-CB 4.45Å
459	K	97.7	Very high	96.6	Very high	93 Å²	93	32.3 Å²	32.3	40%	0.404	17%	0.167	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	133.8	169	-64.2	-166.6	-165.1	152.7	0	110.9	Q463 V512 A513 E514	K459-Q463 CarbonylContact C-O 3.5Å; K459-Q463 WeakPolarHBondContact CA-O 3.49Å; K459-V512 HydrophobicContact CG-CG1 3.78Å; K459-A513 PolarHBondContact N-O 3.4Å; K459-E514 WeakPolarHBondContact CD-OE2 3.49Å; K459-E514 WeakPolarHBondContact CE-OE2 3.48Å; K459-E514 IonicContact NZ-OE1 3.86Å; K459-E514 IonicContact NZ-OE2 2.72Å; K459-E514 PolarHBondContact NZ-OE2 3.13Å
460	E	96.3	Very high	96.3	Very high	31 Å²	31	31.9 Å²	31.9	15%	0.145	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	112.7	171.3	-169.1	-164.3	133.3	0	0	107.5	A328 R331 G462 Q463 K465	A328-E460 PolarHBondContact N-OE2 2.7Å; R331-E460 IonicContact NH2-OE1 2.76Å; R331-E460 PolarHBondContact NH2-OE1 3.44Å; R331-E460 IonicContact NH2-OE2 2.88Å; R331-E460 PolarHBondContact NH2-OE2 2.98Å; E460-G462 PolarHBondContact O-N 3.33Å; E460-Q463 PolarHBondContact N-O 2.9Å; E460-Q463 WeakPolarHBondContact O-CB 3.31Å; E460-Q463 PolarHBondContact O-N 3.08Å; E460-K465 HydrophobicContact CB-CG 3.67Å
461	H	93.8	Very high	96.2	Very high	179 Å²	179	29.7 Å²	29.7	83%	0.829	16%	0.159	S	C	*	.	T	Hydrogen-bonded Turn	trans	51.1	39.7	-177.3	-49.9	112.5	0	0	0	113.6	Q463	H461-Q463 PolarHBondContact O-N 2.9Å
462	G	91.1	Very high	95.9	Very high	70 Å²	70	29.9 Å²	29.9	72%	0.722	16%	0.16	S	C	*	.	T	Hydrogen-bonded Turn	trans	78.1	-5.3	-177.5	0	0	0	0	0	115.3	E460	E460-G462 PolarHBondContact O-N 3.33Å
463	Q	95.2	Very high	95.5	Very high	118 Å²	118	30.3 Å²	30.3	55%	0.551	16%	0.163	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-94.2	147.6	174.7	-60.4	-170.1	-21.1	0	0	111.5	K459 E460 H461	K459-Q463 CarbonylContact C-O 3.5Å; K459-Q463 WeakPolarHBondContact CA-O 3.49Å; E460-Q463 PolarHBondContact N-O 2.9Å; E460-Q463 WeakPolarHBondContact O-CB 3.31Å; E460-Q463 PolarHBondContact O-N 3.08Å; H461-Q463 PolarHBondContact O-N 2.9Å
464	I	96.8	Very high	94.6	Very high	52 Å²	52	31.6 Å²	31.6	27%	0.267	17%	0.172	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	129	173.6	-62.2	178.3	0	0	0	109.2	L457 C458 H488 V512	L457-I464 HydrophobicContact CB-CG2 3.96Å; L457-I464 HydrophobicContact CD1-CG2 3.79Å; L457-I464 HydrophobicContact CD2-CG2 4.35Å; L457-I464 HydrophobicContact CG-CG2 4.26Å; C458-I464 WeakPolarHBondContact O-CA 3.14Å; I464-H488 WeakPolarHBondContact CD1-ND1 3.32Å; I464-V512 HydrophobicContact CD1-CG2 4.41Å
465	K	97.8	Very high	93.8	Very high	23 Å²	23	34.7 Å²	34.7	10%	0.1	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	152.8	176.8	-61.4	-64.5	-179.5	-173.1	0	110.5	K324 H325 C327 L457 C458 E460	K324-K465 PolarHBondContact O-NZ 3.19Å; H325-K465 WeakPolarHBondContact O-CA 3.13Å; C327-K465 HydrophobicContact CB-CB 4.04Å; L457-K465 CarbonylContact C-O 3.58Å; L457-K465 VanDerWaalsContact CA-O 3.25Å; L457-K465 WeakPolarHBondContact CA-O 3.41Å; C458-K465 PolarHBondContact N-O 2.79Å; C458-K465 PolarHBondContact O-N 2.81Å; E460-K465 HydrophobicContact CB-CG 3.67Å
466	A	98	Very high	93.2	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	139.1	175.9	0	0	0	0	0	111.6	H325 A326 C327 L457 L471 L472 L478 I482	H325-A466 PolarHBondContact O-N 3.42Å; A326-A466 WeakPolarHBondContact CA-O 3.48Å; C327-A466 PolarHBondContact N-O 2.89Å; L457-A466 HydrophobicContact CD2-CB 3.98Å; A466-L471 HydrophobicContact CB-CB 4.11Å; A466-L471 HydrophobicContact CB-CD1 4.02Å; A466-L472 HydrophobicContact CB-CD2 4Å; A466-L472 HydrophobicContact CB-CG 4.44Å; A466-L478 HydrophobicContact CB-CD1 3.36Å; A466-I482 HydrophobicContact CB-CD1 4.48Å
467	Y	97.8	Very high	92.8	Very high	2 Å²	2	35.7 Å²	35.7	1%	0.008	19%	0.193	C	C	.	.			trans	-128.6	-15.8	166.1	76.5	-102.4	0	0	0	112	L417 F423 T452 G456 L457 C458 A469 L472 A513 F516	L417-Y467 HydrophobicContact CD1-CD2 4.39Å; L417-Y467 WeakPolarHBondContact CD1-O 2.95Å; F423-Y467 HydrophobicContact CD2-CD2 4.29Å; F423-Y467 AromaticContact CE2-CD2 3.47Å; F423-Y467 HydrophobicContact CE2-CD2 3.47Å; F423-Y467 VanDerWaalsContact CE2-CD2 3.47Å; F423-Y467 AromaticContact CE2-CE2 3.61Å; F423-Y467 HydrophobicContact CE2-CE2 3.61Å; F423-Y467 HydrophobicContact CZ-CD2 4.19Å; F423-Y467 HydrophobicContact CZ-CE2 4.38Å; T452-Y467 VanDerWaalsContact C-CE2 3.48Å; T452-Y467 VanDerWaalsContact CA-OH 3.25Å; T452-Y467 WeakPolarHBondContact CA-OH 3.37Å; T452-Y467 VanDerWaalsContact CB-OH 3.28Å; T452-Y467 WeakPolarHBondContact CB-OH 3.36Å; T452-Y467 WeakPolarHBondContact O-CE2 3.32Å; G456-Y467 VanDerWaalsContact C-CE1 3.48Å; G456-Y467 PolarHBondContact O-N 2.79Å; G456-Y467 VanDerWaalsContact O-N 3.13Å; L457-Y467 VanDerWaalsContact C-CE1 3.43Å; L457-Y467 WeakPolarHBondContact O-CE1 3.3Å; C458-Y467 HydrophobicContact CB-CD1 3.78Å; C458-Y467 HydrophobicContact CB-CE1 4.1Å; Y467-A469 PolarHBondContact O-N 2.87Å; Y467-L472 WeakPolarHBondContact O-CD1 3.31Å; Y467-A513 HydrophobicContact CE1-CB 4.32Å; Y467-F516 AromaticContact CD1-CE1 3.82Å; Y467-F516 HydrophobicContact CD1-CE1 3.82Å; Y467-F516 HydrophobicContact CD1-CZ 4.33Å; Y467-F516 AromaticContact CD2-CE1 3.96Å; Y467-F516 HydrophobicContact CD2-CE1 3.96Å; Y467-F516 HydrophobicContact CD2-CZ 4.33Å; Y467-F516 HydrophobicContact CE1-CE1 4.04Å; Y467-F516 HydrophobicContact CE2-CE1 4.2Å; Y467-F516 AromaticContact CG-CE1 3.77Å; Y467-F516 HydrophobicContact CG-CE1 3.77Å; Y467-F516 AromaticContact CG-CZ 3.98Å; Y467-F516 HydrophobicContact CG-CZ 3.98Å
468	G	96.8	Very high	92.4	Very high	0 Å²	0	36 Å²	36	0%	0	19%	0.194	C	C	.	.			trans	-62.2	133	178.1	0	0	0	0	0	113	V453 E454 G456 G470 L471 L472	V453-G468 WeakPolarHBondContact O-CA 3.4Å; E454-G468 CarbonylContact O-C 3.56Å; E454-G468 WeakPolarHBondContact O-CA 3.24Å; G456-G468 PolarHBondContact O-N 2.73Å; G468-G470 VanDerWaalsContact C-N 3.34Å; G468-G470 PolarHBondContact O-N 2.81Å; G468-L471 WeakPolarHBondContact O-CB 3.43Å; G468-L471 PolarHBondContact O-N 3.43Å; G468-L471 VanDerWaalsContact O-N 3.09Å; G468-L472 WeakPolarHBondContact O-CG 3.33Å; G468-L472 PolarHBondContact O-N 3.5Å
469	A	95.1	Very high	92.1	Very high	1 Å²	1	39.9 Å²	39.9	1%	0.008	21%	0.214	C	C	.	.	H	α-helix	trans	-62	-37.2	-177.5	0	0	0	0	0	113.9	G413 H414 V453 E454 Y467 L471 L472 S473	G413-A469 VanDerWaalsContact C-CB 3.41Å; H414-A469 HydrophobicContact CB-CB 4.48Å; H414-A469 WeakPolarHBondContact CE1-CB 3.45Å; H414-A469 VanDerWaalsContact ND1-CB 3.28Å; H414-A469 WeakPolarHBondContact ND1-CB 3.49Å; H414-A469 WeakPolarHBondContact NE2-CB 3.43Å; V453-A469 PolarHBondContact O-N 3.03Å; E454-A469 PolarHBondContact O-N 3.23Å; E454-A469 VanDerWaalsContact O-N 3.08Å; Y467-A469 PolarHBondContact O-N 2.87Å; A469-L471 VanDerWaalsContact C-N 3.3Å; A469-L471 PolarHBondContact O-N 3.06Å; A469-L472 PolarHBondContact O-N 2.76Å; A469-S473 VanDerWaalsContact O-CB 3.32Å; A469-S473 WeakPolarHBondContact O-CB 3.5Å; A469-S473 PolarHBondContact O-N 3.49Å; A469-S473 PolarHBondContact O-OG 3.27Å
470	G	91.3	Very high	91.8	Very high	6 Å²	6	37.3 Å²	37.3	6%	0.062	20%	0.204	C	C	.	.	H	α-helix	trans	-58.9	-41.7	172.5	0	0	0	0	0	111.8	E454 G468 S473 S474	E454-G470 WeakPolarHBondContact O-CA 3.06Å; E454-G470 PolarHBondContact O-N 2.85Å; G468-G470 VanDerWaalsContact C-N 3.34Å; G468-G470 PolarHBondContact O-N 2.81Å; G470-S473 PolarHBondContact O-OG 3.08Å; G470-S474 WeakPolarHBondContact O-CB 3.2Å; G470-S474 PolarHBondContact O-N 2.7Å; G470-S474 VanDerWaalsContact O-N 3.09Å
471	L	93.1	Very high	91.7	Very high	1 Å²	1	35.8 Å²	35.8	1%	0.005	20%	0.197	C	C	.	.	H	α-helix	trans	-71	-42.3	176.6	-57.3	178.7	0	0	0	111.8	F455 L457 A466 G468 A469 S473 S474 E477 L478 A481 Y510	F455-L471 HydrophobicContact CD1-CD2 3.81Å; F455-L471 HydrophobicContact CD1-CG 4.06Å; F455-L471 HydrophobicContact CE1-CD2 4.4Å; L457-L471 HydrophobicContact CD2-CD1 3.53Å; L457-L471 HydrophobicContact CG-CD1 4.32Å; A466-L471 HydrophobicContact CB-CB 4.11Å; A466-L471 HydrophobicContact CB-CD1 4.02Å; G468-L471 WeakPolarHBondContact O-CB 3.43Å; G468-L471 PolarHBondContact O-N 3.43Å; G468-L471 VanDerWaalsContact O-N 3.09Å; A469-L471 VanDerWaalsContact C-N 3.3Å; A469-L471 PolarHBondContact O-N 3.06Å; L471-S473 PolarHBondContact O-N 2.87Å; L471-S474 PolarHBondContact O-N 3.31Å; L471-S474 VanDerWaalsContact O-O 3.12Å; L471-E477 HydrophobicContact CD2-CB 4.31Å; L471-E477 HydrophobicContact CD2-CG 3.89Å; L471-L478 HydrophobicContact CB-CD1 4Å; L471-L478 WeakPolarHBondContact O-CB 3.32Å; L471-A481 HydrophobicContact CD1-CB 3.97Å; L471-A481 HydrophobicContact CD2-CB 3.67Å; L471-A481 HydrophobicContact CG-CB 4.48Å; L471-Y510 HydrophobicContact CD1-CD1 4.5Å; L471-Y510 HydrophobicContact CD2-CE1 3.93Å
472	L	92.8	Very high	91.7	Very high	6 Å²	6	29.2 Å²	29.2	3%	0.031	17%	0.167	C	C	.	.	H	α-helix	trans	-78.5	-6.9	-176	-63.6	175.7	0	0	0	113.7	V318 A326 Y330 L417 A466 Y467 G468 A469	V318-L472 WeakPolarHBondContact CG2-O 3.44Å; A326-L472 HydrophobicContact CB-CD2 3.63Å; Y330-L472 HydrophobicContact CD1-CD1 4.47Å; Y330-L472 HydrophobicContact CD2-CD1 3.35Å; Y330-L472 HydrophobicContact CE2-CB 4.15Å; Y330-L472 HydrophobicContact CE2-CD1 3.54Å; Y330-L472 HydrophobicContact CE2-CG 4.38Å; Y330-L472 HydrophobicContact CG-CD1 3.85Å; L417-L472 HydrophobicContact CD1-CD1 4.27Å; A466-L472 HydrophobicContact CB-CD2 4Å; A466-L472 HydrophobicContact CB-CG 4.44Å; Y467-L472 WeakPolarHBondContact O-CD1 3.31Å; G468-L472 WeakPolarHBondContact O-CG 3.33Å; G468-L472 PolarHBondContact O-N 3.5Å; A469-L472 PolarHBondContact O-N 2.76Å
473	S	87.9	Confident	91.8	Very high	8 Å²	8	27.4 Å²	27.4	6%	0.056	14%	0.143	C	C	.	.	H	α-helix	trans	-112.3	-6.6	171.9	63.7	0	0	0	0	114.1	H409 A469 G470 L471	H409-S473 PolarHBondContact ND1-OG 2.97Å; A469-S473 VanDerWaalsContact O-CB 3.32Å; A469-S473 WeakPolarHBondContact O-CB 3.5Å; A469-S473 PolarHBondContact O-N 3.49Å; A469-S473 PolarHBondContact O-OG 3.27Å; G470-S473 PolarHBondContact O-OG 3.08Å; L471-S473 PolarHBondContact O-N 2.87Å
474	S	80.2	Confident	91.5	Very high	29 Å²	29	29.6 Å²	29.6	20%	0.203	16%	0.159	C	C	.	.			trans	-132.4	104.6	-179.2	-176.1	0	0	0	0	112.1	G470 L471 G476 L478	G470-S474 WeakPolarHBondContact O-CB 3.2Å; G470-S474 PolarHBondContact O-N 2.7Å; G470-S474 VanDerWaalsContact O-N 3.09Å; L471-S474 PolarHBondContact O-N 3.31Å; L471-S474 VanDerWaalsContact O-O 3.12Å; S474-G476 PolarHBondContact O-N 3.19Å; S474-L478 WeakPolarHBondContact O-CB 3.38Å; S474-L478 PolarHBondContact O-N 2.97Å
475	Y	78.4	Confident	91.2	Very high	88 Å²	88	35.5 Å²	35.5	35%	0.345	18%	0.182	S	C	.	.	H	α-helix	trans	-66.3	-36.5	-175.5	56.5	-87.7	0	0	0	113.9	T317 Y400 E477 L478 L479	T317-Y475 HydrophobicContact CG2-CD1 3.92Å; T317-Y475 HydrophobicContact CG2-CG 3.99Å; Y400-Y475 VanDerWaalsContact CB-CE1 3.42Å; Y400-Y475 WeakPolarHBondContact CB-OH 3.45Å; Y400-Y475 HydrophobicContact CD1-CD1 4.24Å; Y400-Y475 AromaticContact CD1-CE1 3.3Å; Y400-Y475 HydrophobicContact CD1-CE1 3.3Å; Y400-Y475 AromaticContact CD1-CZ 3.98Å; Y400-Y475 HydrophobicContact CD2-CE1 4.25Å; Y400-Y475 WeakPolarHBondContact CD2-OH 3.41Å; Y400-Y475 HydrophobicContact CE1-CE1 4.06Å; Y400-Y475 AromaticContact CG-CE1 3.39Å; Y400-Y475 HydrophobicContact CG-CE1 3.39Å; Y400-Y475 AromaticContact CG-CZ 3.63Å; Y475-E477 VanDerWaalsContact C-N 3.34Å; Y475-E477 PolarHBondContact O-N 2.96Å; Y475-L478 PolarHBondContact O-N 2.97Å; Y475-L479 WeakPolarHBondContact O-CG 3.37Å; Y475-L479 PolarHBondContact O-N 3.33Å; Y475-L479 VanDerWaalsContact O-N 3.12Å
476	G	82.9	Confident	90.9	Very high	18 Å²	18	35.2 Å²	35.2	19%	0.186	18%	0.183	C	C	.	.	H	α-helix	trans	-63.9	-42.9	-177.6	0	0	0	0	0	111.5	S474 H480 Y506	S474-G476 PolarHBondContact O-N 3.19Å; G476-H480 PolarHBondContact O-N 2.97Å; G476-Y506 WeakPolarHBondContact CA-OH 3.22Å
477	E	89.2	Confident	90.8	Very high	19 Å²	19	39.8 Å²	39.8	9%	0.089	21%	0.205	C	C	.	.	H	α-helix	trans	-77.5	-34.5	178	-163	161	-168.3	0	0	111.9	F455 L471 Y475 L479 H480 A481 Y506 Q507 Y510	F455-E477 VanDerWaalsContact CE1-CD 3.45Å; F455-E477 HydrophobicContact CE1-CG 4.38Å; F455-E477 WeakPolarHBondContact CE1-OE1 3.39Å; F455-E477 WeakPolarHBondContact CE1-OE2 3.36Å; L471-E477 HydrophobicContact CD2-CB 4.31Å; L471-E477 HydrophobicContact CD2-CG 3.89Å; Y475-E477 VanDerWaalsContact C-N 3.34Å; Y475-E477 PolarHBondContact O-N 2.96Å; E477-L479 PolarHBondContact O-N 2.9Å; E477-H480 WeakPolarHBondContact O-CB 2.94Å; E477-H480 PolarHBondContact O-N 3.08Å; E477-H480 VanDerWaalsContact O-N 3.16Å; E477-A481 WeakPolarHBondContact O-CB 3.46Å; E477-A481 PolarHBondContact O-N 3.48Å; E477-Y506 HydrophobicContact CB-CD1 3.77Å; E477-Y506 HydrophobicContact CB-CE1 3.89Å; E477-Y506 HydrophobicContact CB-CG 4.41Å; E477-Y506 HydrophobicContact CG-CD1 3.75Å; E477-Y506 HydrophobicContact CG-CE1 4.39Å; E477-Y506 HydrophobicContact CG-CG 4.11Å; E477-Y506 WeakPolarHBondContact OE1-CA 3.49Å; E477-Q507 PolarHBondContact OE1-N 3.35Å; E477-Y510 WeakPolarHBondContact CG-OH 3.41Å; E477-Y510 PolarHBondContact OE1-OH 3.42Å
478	L	91	Very high	90.8	Very high	6 Å²	6	42.4 Å²	42.4	3%	0.031	22%	0.217	C	C	.	.	H	α-helix	trans	-54.3	-50	172.5	-179.7	60.3	0	0	0	112.7	L321 H325 A466 L471 S474 Y475 H480 A481 I482	L321-L478 HydrophobicContact CB-CD2 4.26Å; L321-L478 HydrophobicContact CD1-CD2 4.39Å; H325-L478 HydrophobicContact CB-CD1 4.18Å; H325-L478 HydrophobicContact CB-CD2 4.01Å; H325-L478 HydrophobicContact CB-CG 4.24Å; A466-L478 HydrophobicContact CB-CD1 3.36Å; L471-L478 HydrophobicContact CB-CD1 4Å; L471-L478 WeakPolarHBondContact O-CB 3.32Å; S474-L478 WeakPolarHBondContact O-CB 3.38Å; S474-L478 PolarHBondContact O-N 2.97Å; Y475-L478 PolarHBondContact O-N 2.97Å; L478-H480 VanDerWaalsContact C-N 3.3Å; L478-H480 PolarHBondContact O-N 3.49Å; L478-A481 PolarHBondContact O-N 2.99Å; L478-I482 HydrophobicContact CD1-CD1 3.65Å; L478-I482 HydrophobicContact CD1-CG1 4.44Å; L478-I482 HydrophobicContact CG-CD1 4.18Å; L478-I482 WeakPolarHBondContact O-CG1 3.27Å; L478-I482 PolarHBondContact O-N 3.02Å; L478-I482 VanDerWaalsContact O-N 3.14Å
479	L	91.5	Very high	90.9	Very high	87 Å²	87	46.2 Å²	46.2	46%	0.455	23%	0.231	S	C	.	.	H	α-helix	trans	-67.7	-33.2	179.7	-66.5	179	0	0	0	111.8	Y475 E477 S483	Y475-L479 WeakPolarHBondContact O-CG 3.37Å; Y475-L479 PolarHBondContact O-N 3.33Å; Y475-L479 VanDerWaalsContact O-N 3.12Å; E477-L479 PolarHBondContact O-N 2.9Å; L479-S483 WeakPolarHBondContact O-CB 3.3Å; L479-S483 PolarHBondContact O-N 3.22Å
480	H	91.7	Very high	91	Very high	39 Å²	39	49.6 Å²	49.6	18%	0.181	26%	0.259	C	S	.	.	H	α-helix	trans	-65.9	-48.6	173.4	-179.4	74.6	0	0	0	111.3	G476 E477 L478 I482 S483 C486 Y506 Q507 Y510	G476-H480 PolarHBondContact O-N 2.97Å; E477-H480 WeakPolarHBondContact O-CB 2.94Å; E477-H480 PolarHBondContact O-N 3.08Å; E477-H480 VanDerWaalsContact O-N 3.16Å; L478-H480 VanDerWaalsContact C-N 3.3Å; L478-H480 PolarHBondContact O-N 3.49Å; H480-I482 VanDerWaalsContact C-N 3.29Å; H480-I482 PolarHBondContact O-N 3.46Å; H480-S483 WeakPolarHBondContact O-CB 3.28Å; H480-S483 PolarHBondContact O-N 3.27Å; H480-S483 VanDerWaalsContact O-N 3.08Å; H480-S483 PolarHBondContact O-OG 3.11Å; H480-C486 PolarHBondContact O-SG 3.26Å; H480-Y506 HydrophobicContact CB-CD2 3.78Å; H480-Y506 HydrophobicContact CB-CE2 4.22Å; H480-Y506 HydrophobicContact CB-CG 4.43Å; H480-Y506 AromaticContact CG-CD2 3.74Å; H480-Q507 PolarHBondContact NE2-O 3.08Å; H480-Y510 AromaticContact CD2-CE2 3.98Å
481	A	93.9	Very high	91.4	Very high	0 Å²	0	49.4 Å²	49.4	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-62.7	-31.2	-177.4	0	0	0	0	0	113.5	L457 L471 E477 L478 C486 H488 Y510	L457-A481 HydrophobicContact CD2-CB 4.39Å; L471-A481 HydrophobicContact CD1-CB 3.97Å; L471-A481 HydrophobicContact CD2-CB 3.67Å; L471-A481 HydrophobicContact CG-CB 4.48Å; E477-A481 WeakPolarHBondContact O-CB 3.46Å; E477-A481 PolarHBondContact O-N 3.48Å; L478-A481 PolarHBondContact O-N 2.99Å; A481-C486 PolarHBondContact O-SG 3.33Å; A481-H488 PolarHBondContact O-NE2 3.2Å; A481-Y510 HydrophobicContact CB-CD1 3.93Å; A481-Y510 HydrophobicContact CB-CD2 4.12Å; A481-Y510 HydrophobicContact CB-CE1 3.61Å; A481-Y510 HydrophobicContact CB-CE2 3.81Å; A481-Y510 HydrophobicContact CB-CG 4.18Å
482	I	93.5	Very high	91.6	Very high	40 Å²	40	52.8 Å²	52.8	21%	0.205	27%	0.273	C	S	.	.	H	α-helix	trans	-88.4	-12.5	178.4	-63.1	171.5	0	0	0	112	H325 A466 L478 H480	H325-I482 HydrophobicContact CB-CD1 3.44Å; H325-I482 VanDerWaalsContact CB-CD1 3.44Å; H325-I482 WeakPolarHBondContact ND1-CD1 3.4Å; A466-I482 HydrophobicContact CB-CD1 4.48Å; L478-I482 HydrophobicContact CD1-CD1 3.65Å; L478-I482 HydrophobicContact CD1-CG1 4.44Å; L478-I482 HydrophobicContact CG-CD1 4.18Å; L478-I482 WeakPolarHBondContact O-CG1 3.27Å; L478-I482 PolarHBondContact O-N 3.02Å; L478-I482 VanDerWaalsContact O-N 3.14Å; H480-I482 VanDerWaalsContact C-N 3.29Å; H480-I482 PolarHBondContact O-N 3.46Å
483	S	92.6	Very high	91.8	Very high	32 Å²	32	52.5 Å²	52.5	22%	0.224	27%	0.271	C	S	.	.	S	Bend	trans	-84.3	164.7	178.6	76.9	0	0	0	0	113	L479 H480 K485 C486	L479-S483 WeakPolarHBondContact O-CB 3.3Å; L479-S483 PolarHBondContact O-N 3.22Å; H480-S483 WeakPolarHBondContact O-CB 3.28Å; H480-S483 PolarHBondContact O-N 3.27Å; H480-S483 VanDerWaalsContact O-N 3.08Å; H480-S483 PolarHBondContact O-OG 3.11Å; S483-K485 PolarHBondContact O-N 3.08Å; S483-K485 VanDerWaalsContact O-N 3.1Å; S483-K485 WeakPolarHBondContact OG-CB 3.42Å; S483-K485 PolarHBondContact OG-N 2.8Å; S483-C486 PolarHBondContact O-SG 3.35Å
484	D	88.7	Confident	92.2	Very high	164 Å²	164	54.6 Å²	54.6	88%	0.877	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.8	10.3	174.5	-53.4	-41	0	0	0	113.8
485	K	91	Very high	93	Very high	176 Å²	176	55.9 Å²	55.9	77%	0.765	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.5	-11.9	-179.3	-63.4	179.7	-179.3	175.1	0	113.5	S483	S483-K485 PolarHBondContact O-N 3.08Å; S483-K485 VanDerWaalsContact O-N 3.1Å; S483-K485 WeakPolarHBondContact OG-CB 3.42Å; S483-K485 PolarHBondContact OG-N 2.8Å
486	C	92	Very high	93.9	Very high	17 Å²	17	51.7 Å²	51.7	12%	0.115	28%	0.281	C	S	.	.	S	Bend	trans	-120.3	163.4	-179.3	63.4	0	0	0	0	110.5	H480 A481 S483 H488 Y510	H480-C486 PolarHBondContact O-SG 3.26Å; A481-C486 PolarHBondContact O-SG 3.33Å; S483-C486 PolarHBondContact O-SG 3.35Å; C486-H488 PolarHBondContact SG-NE2 3.03Å; C486-H488 VanDerWaalsContact SG-NE2 3.4Å; C486-Y510 HydrophobicContact CB-CD2 3.84Å; C486-Y510 HydrophobicContact CB-CE2 3.74Å; C486-Y510 WeakPolarHBondContact SG-CD2 3.4Å
487	E	96.5	Very high	94.6	Very high	96 Å²	96	51 Å²	51	45%	0.449	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	126.7	176.7	-169.4	-174.2	158.2	0	0	110.3	R489 P508 I509 Y510	E487-R489 VanDerWaalsContact CD-NH2 3.29Å; E487-R489 HydrophobicContact CG-CG 4.38Å; E487-R489 IonicContact OE1-CZ 3.12Å; E487-R489 IonicContact OE1-NE 2.95Å; E487-R489 PolarHBondContact OE1-NE 3.45Å; E487-R489 IonicContact OE1-NH2 3.88Å; E487-R489 PolarHBondContact OE1-NH2 2.82Å; E487-R489 VanDerWaalsContact OE1-NH2 3.08Å; E487-R489 IonicContact OE2-CZ 3.95Å; E487-R489 IonicContact OE2-NE 2.75Å; E487-R489 IonicContact OE2-NH2 3.66Å; E487-R489 PolarHBondContact OE2-NH2 3.03Å; E487-P508 PolarHBondContact N-O 3.45Å; E487-I509 HydrophobicContact CB-CG1 4.16Å; E487-I509 WeakPolarHBondContact O-CA 3.46Å; E487-Y510 PolarHBondContact O-N 3.01Å
488	H	97.8	Very high	94.9	Very high	58 Å²	58	54.9 Å²	54.9	27%	0.269	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	127.7	170.8	-60.8	144.2	0	0	0	110.7	I464 A481 C486 Y510 V512	I464-H488 WeakPolarHBondContact CD1-ND1 3.32Å; A481-H488 PolarHBondContact O-NE2 3.2Å; C486-H488 PolarHBondContact SG-NE2 3.03Å; C486-H488 VanDerWaalsContact SG-NE2 3.4Å; H488-Y510 WeakPolarHBondContact CA-O 3.29Å; H488-V512 HydrophobicContact CB-CG2 3.94Å
489	R	97.8	Very high	95.1	Very high	80 Å²	80	56.2 Å²	56.2	30%	0.302	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	149.6	174.2	-64.9	-174.9	-175.7	155	11.8	110.5	E487 F491 I509 Y510 Y511 V512	E487-R489 VanDerWaalsContact CD-NH2 3.29Å; E487-R489 HydrophobicContact CG-CG 4.38Å; E487-R489 IonicContact OE1-CZ 3.12Å; E487-R489 IonicContact OE1-NE 2.95Å; E487-R489 PolarHBondContact OE1-NE 3.45Å; E487-R489 IonicContact OE1-NH2 3.88Å; E487-R489 PolarHBondContact OE1-NH2 2.82Å; E487-R489 VanDerWaalsContact OE1-NH2 3.08Å; E487-R489 IonicContact OE2-CZ 3.95Å; E487-R489 IonicContact OE2-NE 2.75Å; E487-R489 IonicContact OE2-NH2 3.66Å; E487-R489 PolarHBondContact OE2-NH2 3.03Å; R489-F491 PolarHBondContact O-N 3.27Å; R489-I509 HydrophobicContact CG-CG2 4.16Å; R489-Y510 PolarHBondContact N-O 3.45Å; R489-Y511 HydrophobicContact CB-CD1 3.86Å; R489-Y511 HydrophobicContact CB-CE1 3.77Å; R489-Y511 CarbonylContact O-C 3.47Å; R489-Y511 VanDerWaalsContact O-CA 3.29Å; R489-Y511 WeakPolarHBondContact O-CA 3.46Å; R489-V512 PolarHBondContact O-N 2.95Å
490	A	98	Very high	95.2	Very high	72 Å²	72	57 Å²	57	60%	0.595	32%	0.315	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-66.2	136	171.9	0	0	0	0	0	110	E492 Y511	A490-E492 PolarHBondContact O-N 3.43Å; A490-E492 VanDerWaalsContact O-N 3.14Å; A490-Y511 WeakPolarHBondContact O-CD1 3.43Å
491	F	98.4	Very high	95.1	Very high	1 Å²	1	59.7 Å²	59.7	0%	0.004	32%	0.324	C	S	.	.			trans	-63.3	116.5	173.3	177.2	-117.4	0	0	0	110.1	F426 V448 T452 R489 P493 T496 V512 A513 A519 K522	F426-F491 HydrophobicContact CZ-CE1 4.5Å; F426-F491 HydrophobicContact CZ-CZ 4.38Å; V448-F491 HydrophobicContact CG1-CE2 4.1Å; V448-F491 HydrophobicContact CG1-CZ 4.01Å; T452-F491 HydrophobicContact CG2-CD2 3.74Å; T452-F491 HydrophobicContact CG2-CE1 4.34Å; T452-F491 HydrophobicContact CG2-CE2 3.35Å; T452-F491 HydrophobicContact CG2-CG 4.38Å; T452-F491 HydrophobicContact CG2-CZ 3.68Å; R489-F491 PolarHBondContact O-N 3.27Å; F491-P493 HydrophobicContact CE1-CG 3.95Å; F491-P493 HydrophobicContact CE2-CG 4.36Å; F491-P493 HydrophobicContact CZ-CB 4.41Å; F491-P493 HydrophobicContact CZ-CG 3.71Å; F491-T496 HydrophobicContact CD2-CG2 4.19Å; F491-T496 HydrophobicContact CE2-CG2 4.07Å; F491-V512 PolarHBondContact N-O 3.31Å; F491-A513 HydrophobicContact CB-CB 4.42Å; F491-A519 HydrophobicContact CD1-CB 3.9Å; F491-A519 HydrophobicContact CE1-CB 3.85Å; F491-K522 WeakPolarHBondContact O-CD 3.45Å; F491-K522 PolarHBondContact O-NZ 3.09Å
492	E	98.2	Very high	94.8	Very high	73 Å²	73	62.4 Å²	62.4	34%	0.341	34%	0.337	S	S	.	.			trans	-138.5	110.9	172.5	177.7	51.7	-122.7	0	0	107.3	A490 A494 S495 T496	A490-E492 PolarHBondContact O-N 3.43Å; A490-E492 VanDerWaalsContact O-N 3.14Å; E492-A494 PolarHBondContact O-N 3.02Å; E492-A494 VanDerWaalsContact O-N 3.14Å; E492-S495 PolarHBondContact O-N 3.41Å; E492-S495 PolarHBondContact O-OG 2.91Å; E492-S495 VanDerWaalsContact O-OG 3.06Å; E492-T496 VanDerWaalsContact O-CB 3.31Å; E492-T496 WeakPolarHBondContact O-CB 3.09Å; E492-T496 PolarHBondContact O-N 3.29Å; E492-T496 PolarHBondContact O-OG1 3.11Å
493	P	97.5	Very high	94	Very high	0 Å²	0	63.5 Å²	63.5	0%	0	34%	0.343	C	S	.	.	H	α-helix	trans	-53.6	-38.4	-171.5	-28.7	32.5	0	0	0	114.1	F491 S495 T496 A497 K522 F523 W526	F491-P493 HydrophobicContact CE1-CG 3.95Å; F491-P493 HydrophobicContact CE2-CG 4.36Å; F491-P493 HydrophobicContact CZ-CB 4.41Å; F491-P493 HydrophobicContact CZ-CG 3.71Å; P493-S495 PolarHBondContact O-N 3.19Å; P493-T496 PolarHBondContact O-N 2.93Å; P493-A497 WeakPolarHBondContact O-CB 3.14Å; P493-A497 PolarHBondContact O-N 2.88Å; P493-K522 HydrophobicContact CG-CB 3.98Å; P493-F523 HydrophobicContact CG-CB 4.46Å; P493-W526 HydrophobicContact CB-CB 3.62Å; P493-W526 HydrophobicContact CB-CD2 3.58Å; P493-W526 HydrophobicContact CB-CE3 3.72Å; P493-W526 HydrophobicContact CB-CG 3.55Å; P493-W526 HydrophobicContact CG-CB 4.13Å
494	A	95.7	Very high	93.3	Very high	52 Å²	52	69.9 Å²	69.9	43%	0.43	37%	0.369	S	S	.	.	H	α-helix	trans	-63.6	-40.3	-177.7	0	0	0	0	0	113.4	E492	E492-A494 PolarHBondContact O-N 3.02Å; E492-A494 VanDerWaalsContact O-N 3.14Å
495	S	96.7	Very high	93.1	Very high	56 Å²	56	69.3 Å²	69.3	39%	0.392	36%	0.362	S	S	.	.	H	α-helix	trans	-82.9	-35.6	176.4	58.8	0	0	0	0	111.9	E492 P493 V498	E492-S495 PolarHBondContact O-N 3.41Å; E492-S495 PolarHBondContact O-OG 2.91Å; E492-S495 VanDerWaalsContact O-OG 3.06Å; P493-S495 PolarHBondContact O-N 3.19Å; S495-V498 WeakPolarHBondContact O-CG2 3.43Å
496	T	97.9	Very high	93	Very high	0 Å²	0	66.5 Å²	66.5	0%	0	35%	0.347	C	S	.	.	H	α-helix	trans	-64.1	-44.2	179.4	-51.8	0	0	0	0	110.9	T447 F451 F491 E492 P493 V498 Q499 Y511	T447-T496 VanDerWaalsContact CG2-O 3.24Å; T447-T496 WeakPolarHBondContact CG2-O 3.38Å; F451-T496 HydrophobicContact CB-CG2 3.48Å; F451-T496 VanDerWaalsContact CB-CG2 3.48Å; F451-T496 HydrophobicContact CD2-CG2 4.05Å; F451-T496 HydrophobicContact CG-CG2 4.07Å; F491-T496 HydrophobicContact CD2-CG2 4.19Å; F491-T496 HydrophobicContact CE2-CG2 4.07Å; E492-T496 VanDerWaalsContact O-CB 3.31Å; E492-T496 WeakPolarHBondContact O-CB 3.09Å; E492-T496 PolarHBondContact O-N 3.29Å; E492-T496 PolarHBondContact O-OG1 3.11Å; P493-T496 PolarHBondContact O-N 2.93Å; T496-V498 PolarHBondContact O-N 2.97Å; T496-Q499 WeakPolarHBondContact O-CB 3.38Å; T496-Q499 PolarHBondContact O-N 3.48Å; T496-Q499 VanDerWaalsContact O-N 3.09Å; T496-Y511 HydrophobicContact CG2-CD1 4.37Å; T496-Y511 HydrophobicContact CG2-CD2 3.93Å; T496-Y511 HydrophobicContact CG2-CE1 4.43Å; T496-Y511 HydrophobicContact CG2-CE2 3.98Å; T496-Y511 HydrophobicContact CG2-CG 4.1Å; T496-Y511 WeakPolarHBondContact OG1-CD1 3.43Å; T496-Y511 WeakPolarHBondContact OG1-CE1 2.96Å
497	A	96.4	Very high	92.9	Very high	4 Å²	4	65.8 Å²	65.8	3%	0.033	34%	0.342	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.8	-15	-175.6	0	0	0	0	0	115.3	K444 V448 P493 W526	K444-A497 HydrophobicContact CB-CB 3.96Å; K444-A497 HydrophobicContact CG-CB 4.24Å; V448-A497 HydrophobicContact CG2-CB 3.72Å; P493-A497 WeakPolarHBondContact O-CB 3.14Å; P493-A497 PolarHBondContact O-N 2.88Å; A497-W526 HydrophobicContact CB-CH2 3.78Å; A497-W526 HydrophobicContact CB-CZ2 3.41Å; A497-W526 VanDerWaalsContact CB-CZ2 3.41Å
498	V	95.3	Very high	92.8	Very high	100 Å²	100	65.2 Å²	65.2	61%	0.606	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	-113.9	3	-179.9	-61.1	0	0	0	0	112.8	S495 T496 P500	S495-V498 WeakPolarHBondContact O-CG2 3.43Å; T496-V498 PolarHBondContact O-N 2.97Å; V498-P500 VanDerWaalsContact O-CD 3.32Å; V498-P500 WeakPolarHBondContact O-CD 3.18Å
499	Q	96.9	Very high	92.7	Very high	34 Å²	34	63.2 Å²	63.2	16%	0.159	34%	0.338	C	S	.	.			trans	-73.9	121.6	177.7	174.6	61.2	58.3	0	0	109.9	T447 F451 T496 Y511	T447-Q499 VanDerWaalsContact CG2-O 3.27Å; T447-Q499 WeakPolarHBondContact CG2-O 3.1Å; F451-Q499 HydrophobicContact CD2-CB 4.39Å; F451-Q499 HydrophobicContact CD2-CG 4.41Å; F451-Q499 HydrophobicContact CE1-CG 4.32Å; F451-Q499 HydrophobicContact CE2-CB 3.78Å; F451-Q499 HydrophobicContact CE2-CG 3.53Å; F451-Q499 HydrophobicContact CZ-CB 4.24Å; F451-Q499 HydrophobicContact CZ-CG 3.46Å; F451-Q499 VanDerWaalsContact CZ-CG 3.46Å; T496-Q499 WeakPolarHBondContact O-CB 3.38Å; T496-Q499 PolarHBondContact O-N 3.48Å; T496-Q499 VanDerWaalsContact O-N 3.09Å; Q499-Y511 HydrophobicContact CB-CE2 4.26Å; Q499-Y511 HydrophobicContact CG-CE2 4.07Å
500	P	92.8	Very high	92.7	Very high	104 Å²	104	59.4 Å²	59.4	68%	0.675	32%	0.323	S	S	*	.			trans	-63.7	143	171.4	-21.4	33.4	0	0	0	111.4	V498	V498-P500 VanDerWaalsContact O-CD 3.32Å; V498-P500 WeakPolarHBondContact O-CD 3.18Å
501	Y	89.1	Confident	92.8	Very high	94 Å²	94	56.2 Å²	56.2	37%	0.369	30%	0.296	S	S	.	.			trans	-133.3	168.3	173.9	65.4	-92.1	0	0	0	111.4	T447 W450 F451	T447-Y501 HydrophobicContact CG2-CD1 4.1Å; T447-Y501 HydrophobicContact CG2-CE1 4.21Å; W450-Y501 HydrophobicContact CB-CD1 4.41Å; W450-Y501 HydrophobicContact CB-CE1 4.28Å; W450-Y501 AromaticContact CD1-CD2 3.78Å; W450-Y501 AromaticContact CD1-CG 3.55Å; W450-Y501 AromaticContact CD2-CD2 3.54Å; W450-Y501 HydrophobicContact CD2-CD2 3.54Å; W450-Y501 AromaticContact CD2-CE2 3.61Å; W450-Y501 HydrophobicContact CD2-CE2 3.61Å; W450-Y501 HydrophobicContact CD2-CG 4.11Å; W450-Y501 AromaticContact CE2-CD2 3.35Å; W450-Y501 AromaticContact CE2-CE2 3.88Å; W450-Y501 AromaticContact CE2-CG 3.94Å; W450-Y501 HydrophobicContact CE3-CD2 4.15Å; W450-Y501 AromaticContact CE3-CE2 3.8Å; W450-Y501 HydrophobicContact CE3-CE2 3.8Å; W450-Y501 HydrophobicContact CG-CD1 4.13Å; W450-Y501 AromaticContact CG-CD2 3.8Å; W450-Y501 HydrophobicContact CG-CD2 3.8Å; W450-Y501 HydrophobicContact CG-CE1 4.3Å; W450-Y501 AromaticContact CG-CE2 3.98Å; W450-Y501 HydrophobicContact CG-CE2 3.98Å; W450-Y501 AromaticContact CG-CG 3.87Å; W450-Y501 HydrophobicContact CG-CG 3.87Å; W450-Y501 HydrophobicContact CH2-CD2 4.37Å; W450-Y501 HydrophobicContact CH2-CE2 4.43Å; W450-Y501 AromaticContact CZ2-CD2 3.8Å; W450-Y501 HydrophobicContact CZ2-CD2 3.8Å; W450-Y501 HydrophobicContact CZ2-CE2 4.28Å; W450-Y501 HydrophobicContact CZ3-CE2 4.21Å; W450-Y501 AromaticContact NE1-CD2 3.51Å; W450-Y501 AromaticContact NE1-CG 3.6Å; F451-Y501 HydrophobicContact CE2-CD1 4.14Å; F451-Y501 HydrophobicContact CE2-CG 4.43Å
502	Q	87.2	Confident	92.8	Very high	58 Å²	58	56.8 Å²	56.8	27%	0.271	30%	0.3	S	S	.	.			trans	-142.6	162.6	178.9	62.1	72.6	40.2	0	0	109.9	W450 E505 Y506 Q507	W450-Q502 WeakPolarHBondContact CZ2-O 3.48Å; Q502-E505 PolarHBondContact NE2-O 3.47Å; Q502-Y506 PolarHBondContact NE2-O 3.34Å; Q502-Q507 PolarHBondContact O-NE2 3.21Å; Q502-Q507 PolarHBondContact O-OE1 2.63Å
503	D	77.4	Confident	92.8	Very high	62 Å²	62	53.3 Å²	53.3	33%	0.332	28%	0.283	S	S	.	.	S	Bend	trans	-121.7	9.4	-168.7	65.6	-43.6	0	0	0	114.8	K261 Y262 W450	K261-D503 IonicContact NZ-OD1 3.63Å; K261-D503 PolarHBondContact NZ-OD1 2.98Å; K261-D503 IonicContact NZ-OD2 3.06Å; K261-D503 PolarHBondContact NZ-OD2 3.1Å; Y262-D503 PolarHBondContact OH-OD2 3.31Å; W450-D503 HydrophobicContact CH2-CB 4.1Å
504	Q	78.4	Confident	92.7	Very high	166 Å²	166	58.1 Å²	58.1	78%	0.776	31%	0.306	S	S	*	.	S	Bend	trans	-107.6	-35.5	-174.3	-62.7	-178.5	11.2	0	0	113.6
505	E	84.3	Confident	92.8	Very high	153 Å²	153	58 Å²	58	72%	0.715	30%	0.302	S	S	*	.	S	Bend	trans	-117.8	177.9	-178.4	-61.4	-175.2	170.4	0	0	110.3	Q502	Q502-E505 PolarHBondContact NE2-O 3.47Å
506	Y	89.1	Confident	92.8	Very high	116 Å²	116	55.8 Å²	55.8	46%	0.455	29%	0.285	S	S	.	.			trans	-69.6	145.4	174.5	-59.3	-21.8	0	0	0	111.6	G476 E477 H480 Q502	G476-Y506 WeakPolarHBondContact CA-OH 3.22Å; E477-Y506 HydrophobicContact CB-CD1 3.77Å; E477-Y506 HydrophobicContact CB-CE1 3.89Å; E477-Y506 HydrophobicContact CB-CG 4.41Å; E477-Y506 HydrophobicContact CG-CD1 3.75Å; E477-Y506 HydrophobicContact CG-CE1 4.39Å; E477-Y506 HydrophobicContact CG-CG 4.11Å; E477-Y506 WeakPolarHBondContact OE1-CA 3.49Å; H480-Y506 HydrophobicContact CB-CD2 3.78Å; H480-Y506 HydrophobicContact CB-CE2 4.22Å; H480-Y506 HydrophobicContact CB-CG 4.43Å; H480-Y506 AromaticContact CG-CD2 3.74Å; Q502-Y506 PolarHBondContact NE2-O 3.34Å
507	Q	90.6	Very high	92.7	Very high	3 Å²	3	60.2 Å²	60.2	1%	0.014	31%	0.306	C	S	.	.			trans	-64.6	133.4	178	-49	-54.9	-59.9	0	0	110.8	F455 E477 H480 Q502 I509 Y510	F455-Q507 HydrophobicContact CD1-CG 4.2Å; F455-Q507 HydrophobicContact CG-CG 4.14Å; E477-Q507 PolarHBondContact OE1-N 3.35Å; H480-Q507 PolarHBondContact NE2-O 3.08Å; Q502-Q507 PolarHBondContact O-NE2 3.21Å; Q502-Q507 PolarHBondContact O-OE1 2.63Å; Q507-I509 VanDerWaalsContact C-N 3.3Å; Q507-Y510 HydrophobicContact CB-CD1 4.36Å; Q507-Y510 HydrophobicContact CB-CE1 3.73Å; Q507-Y510 HydrophobicContact CB-CE2 4.05Å; Q507-Y510 HydrophobicContact CG-CE1 3.98Å; Q507-Y510 PolarHBondContact N-OH 3.23Å; Q507-Y510 WeakPolarHBondContact O-CE2 3.44Å; Q507-Y510 PolarHBondContact O-OH 3.3Å
508	P	93.5	Very high	92.7	Very high	83 Å²	83	62 Å²	62	54%	0.539	32%	0.315	S	S	.	.	S	Bend	trans	-77.4	-20.4	175.1	31.1	-35.2	0	0	0	112.6	E487	E487-P508 PolarHBondContact N-O 3.45Å
509	I	96.5	Very high	92.9	Very high	17 Å²	17	57.2 Å²	57.2	9%	0.087	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	131.6	-175	-61.3	156.2	0	0	0	108.3	E487 R489 Q507 Y511	E487-I509 HydrophobicContact CB-CG1 4.16Å; E487-I509 WeakPolarHBondContact O-CA 3.46Å; R489-I509 HydrophobicContact CG-CG2 4.16Å; Q507-I509 VanDerWaalsContact C-N 3.3Å; I509-Y511 HydrophobicContact CG2-CD2 4.49Å; I509-Y511 HydrophobicContact CG2-CE2 4.06Å
510	Y	97.6	Very high	92.9	Very high	0 Å²	0	56.1 Å²	56.1	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	145.1	171.8	-60.5	-91.6	0	0	0	110.3	F455 L457 L471 E477 H480 A481 C486 E487 H488 R489 Q507	F455-Y510 HydrophobicContact CB-CD1 4.26Å; F455-Y510 HydrophobicContact CB-CE1 4.28Å; F455-Y510 HydrophobicContact CD1-CE1 4.29Å; F455-Y510 WeakPolarHBondContact O-CD1 3.44Å; L457-Y510 HydrophobicContact CD1-CG 4.12Å; L471-Y510 HydrophobicContact CD1-CD1 4.5Å; L471-Y510 HydrophobicContact CD2-CE1 3.93Å; E477-Y510 WeakPolarHBondContact CG-OH 3.41Å; E477-Y510 PolarHBondContact OE1-OH 3.42Å; H480-Y510 AromaticContact CD2-CE2 3.98Å; A481-Y510 HydrophobicContact CB-CD1 3.93Å; A481-Y510 HydrophobicContact CB-CD2 4.12Å; A481-Y510 HydrophobicContact CB-CE1 3.61Å; A481-Y510 HydrophobicContact CB-CE2 3.81Å; A481-Y510 HydrophobicContact CB-CG 4.18Å; C486-Y510 HydrophobicContact CB-CD2 3.84Å; C486-Y510 HydrophobicContact CB-CE2 3.74Å; C486-Y510 WeakPolarHBondContact SG-CD2 3.4Å; E487-Y510 PolarHBondContact O-N 3.01Å; H488-Y510 WeakPolarHBondContact CA-O 3.29Å; R489-Y510 PolarHBondContact N-O 3.45Å; Q507-Y510 HydrophobicContact CB-CD1 4.36Å; Q507-Y510 HydrophobicContact CB-CE1 3.73Å; Q507-Y510 HydrophobicContact CB-CE2 4.05Å; Q507-Y510 HydrophobicContact CG-CE1 3.98Å; Q507-Y510 PolarHBondContact N-OH 3.23Å; Q507-Y510 WeakPolarHBondContact O-CE2 3.44Å; Q507-Y510 PolarHBondContact O-OH 3.3Å
511	Y	98.4	Very high	93.1	Very high	4 Å²	4	54.5 Å²	54.5	2%	0.016	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	133.1	177.3	-73.6	-92.5	0	0	0	110.9	F451 L457 R489 A490 T496 Q499 I509	F451-Y511 HydrophobicContact CB-CD2 3.72Å; F451-Y511 HydrophobicContact CB-CE2 4.37Å; F451-Y511 HydrophobicContact CB-CG 4.43Å; F451-Y511 AromaticContact CD1-CD2 3.62Å; F451-Y511 HydrophobicContact CD1-CD2 3.62Å; F451-Y511 AromaticContact CD1-CE2 3.97Å; F451-Y511 HydrophobicContact CD1-CE2 3.97Å; F451-Y511 HydrophobicContact CD2-CD2 4.42Å; F451-Y511 HydrophobicContact CD2-CE2 4.28Å; F451-Y511 HydrophobicContact CE1-CD2 4.33Å; F451-Y511 HydrophobicContact CE1-CE2 4.3Å; F451-Y511 AromaticContact CG-CD2 3.66Å; F451-Y511 HydrophobicContact CG-CD2 3.66Å; F451-Y511 AromaticContact CG-CE2 3.94Å; F451-Y511 HydrophobicContact CG-CE2 3.94Å; L457-Y511 PolarHBondContact N-O 2.9Å; R489-Y511 HydrophobicContact CB-CD1 3.86Å; R489-Y511 HydrophobicContact CB-CE1 3.77Å; R489-Y511 CarbonylContact O-C 3.47Å; R489-Y511 VanDerWaalsContact O-CA 3.29Å; R489-Y511 WeakPolarHBondContact O-CA 3.46Å; A490-Y511 WeakPolarHBondContact O-CD1 3.43Å; T496-Y511 HydrophobicContact CG2-CD1 4.37Å; T496-Y511 HydrophobicContact CG2-CD2 3.93Å; T496-Y511 HydrophobicContact CG2-CE1 4.43Å; T496-Y511 HydrophobicContact CG2-CE2 3.98Å; T496-Y511 HydrophobicContact CG2-CG 4.1Å; T496-Y511 WeakPolarHBondContact OG1-CD1 3.43Å; T496-Y511 WeakPolarHBondContact OG1-CE1 2.96Å; Q499-Y511 HydrophobicContact CB-CE2 4.26Å; Q499-Y511 HydrophobicContact CG-CE2 4.07Å; I509-Y511 HydrophobicContact CG2-CD2 4.49Å; I509-Y511 HydrophobicContact CG2-CE2 4.06Å
512	V	98.5	Very high	93.6	Very high	14 Å²	14	51.7 Å²	51.7	9%	0.085	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	114.2	-177.5	-170.7	0	0	0	0	109.4	L457 K459 I464 H488 R489 F491	L457-V512 HydrophobicContact CB-CG2 4.08Å; L457-V512 HydrophobicContact CD1-CG2 4.39Å; L457-V512 CarbonylContact O-C 3.25Å; L457-V512 VanDerWaalsContact O-CA 3.23Å; L457-V512 WeakPolarHBondContact O-CA 3.5Å; K459-V512 HydrophobicContact CG-CG1 3.78Å; I464-V512 HydrophobicContact CD1-CG2 4.41Å; H488-V512 HydrophobicContact CB-CG2 3.94Å; R489-V512 PolarHBondContact O-N 2.95Å; F491-V512 PolarHBondContact N-O 3.31Å
513	A	98.2	Very high	94.1	Very high	0 Å²	0	49 Å²	49	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	141.6	169.8	0	0	0	0	0	110.7	L457 C458 K459 Y467 F491 A519	L457-A513 PolarHBondContact O-N 3.24Å; C458-A513 CarbonylContact C-O 3.55Å; C458-A513 WeakPolarHBondContact CA-O 3.43Å; C458-A513 HydrophobicContact CB-CB 4.45Å; K459-A513 PolarHBondContact N-O 3.4Å; Y467-A513 HydrophobicContact CE1-CB 4.32Å; F491-A513 HydrophobicContact CB-CB 4.42Å; A513-A519 HydrophobicContact CB-CB 4.29Å
514	E	97.2	Very high	94.9	Very high	100 Å²	100	51 Å²	51	47%	0.467	25%	0.247	S	C	.	.	S	Bend	trans	-71.6	-41.1	173.7	-166.9	63.3	-146.5	0	0	110.7	K459 D518	K459-E514 WeakPolarHBondContact CD-OE2 3.49Å; K459-E514 WeakPolarHBondContact CE-OE2 3.48Å; K459-E514 IonicContact NZ-OE1 3.86Å; K459-E514 IonicContact NZ-OE2 2.72Å; K459-E514 PolarHBondContact NZ-OE2 3.13Å; E514-D518 HydrophobicContact CB-CB 4.11Å
515	S	96.5	Very high	95.7	Very high	51 Å²	51	49.5 Å²	49.5	36%	0.357	23%	0.234	S	C	.	.			trans	-161	169.1	171.1	62.9	0	0	0	0	109.1	E517 D518 A519	S515-E517 VanDerWaalsContact C-N 3.29Å; S515-E517 PolarHBondContact O-N 2.99Å; S515-D518 PolarHBondContact O-N 2.98Å; S515-D518 PolarHBondContact OG-N 2.94Å; S515-D518 VanDerWaalsContact OG-N 3.1Å; S515-A519 WeakPolarHBondContact O-CB 3.48Å; S515-A519 PolarHBondContact O-N 3.22Å
516	F	96.7	Very high	96.3	Very high	9 Å²	9	43.5 Å²	43.5	4%	0.039	21%	0.205	C	C	.	.	H	α-helix	trans	-67.1	-28.9	173.2	-60.2	-36.4	0	0	0	112.9	E329 L417 S422 F423 Y467 K520	E329-F516 HydrophobicContact CB-CE2 4.07Å; E329-F516 HydrophobicContact CG-CD2 4.29Å; E329-F516 HydrophobicContact CG-CE2 3.84Å; L417-F516 HydrophobicContact CD2-CE2 4.12Å; L417-F516 HydrophobicContact CD2-CZ 4.13Å; S422-F516 WeakPolarHBondContact OG-CB 3.28Å; F423-F516 HydrophobicContact CB-CD2 4.07Å; F423-F516 HydrophobicContact CB-CE2 4.05Å; F423-F516 HydrophobicContact CD2-CD1 4.03Å; F423-F516 HydrophobicContact CD2-CD2 4.38Å; F423-F516 AromaticContact CD2-CE1 3.67Å; F423-F516 HydrophobicContact CD2-CE1 3.67Å; F423-F516 HydrophobicContact CD2-CE2 4.03Å; F423-F516 HydrophobicContact CD2-CG 4.39Å; F423-F516 AromaticContact CD2-CZ 3.67Å; F423-F516 HydrophobicContact CD2-CZ 3.67Å; F423-F516 HydrophobicContact CE2-CE1 4.18Å; F423-F516 HydrophobicContact CE2-CZ 4.38Å; F423-F516 HydrophobicContact CG-CE2 4.49Å; Y467-F516 AromaticContact CD1-CE1 3.82Å; Y467-F516 HydrophobicContact CD1-CE1 3.82Å; Y467-F516 HydrophobicContact CD1-CZ 4.33Å; Y467-F516 AromaticContact CD2-CE1 3.96Å; Y467-F516 HydrophobicContact CD2-CE1 3.96Å; Y467-F516 HydrophobicContact CD2-CZ 4.33Å; Y467-F516 HydrophobicContact CE1-CE1 4.04Å; Y467-F516 HydrophobicContact CE2-CE1 4.2Å; Y467-F516 AromaticContact CG-CE1 3.77Å; Y467-F516 HydrophobicContact CG-CE1 3.77Å; Y467-F516 AromaticContact CG-CZ 3.98Å; Y467-F516 HydrophobicContact CG-CZ 3.98Å; F516-K520 WeakPolarHBondContact O-CE 3.29Å; F516-K520 WeakPolarHBondContact O-CG 3.35Å; F516-K520 PolarHBondContact O-N 3.09Å
517	E	96.6	Very high	96.5	Very high	93 Å²	93	39 Å²	39	44%	0.435	19%	0.189	S	C	.	.	H	α-helix	trans	-66.9	-46.9	172.4	-63.6	-53.2	140.1	0	0	111.7	S422 S515 A519 K520 D521	S422-E517 PolarHBondContact OG-OE1 2.96Å; S515-E517 VanDerWaalsContact C-N 3.29Å; S515-E517 PolarHBondContact O-N 2.99Å; E517-A519 VanDerWaalsContact C-N 3.32Å; E517-A519 PolarHBondContact O-N 3.36Å; E517-K520 VanDerWaalsContact CD-CE 3.46Å; E517-K520 PolarHBondContact O-N 3.42Å; E517-K520 WeakPolarHBondContact OE1-CE 3.47Å; E517-K520 IonicContact OE1-NZ 3.58Å; E517-K520 PolarHBondContact OE1-NZ 3.02Å; E517-K520 WeakPolarHBondContact OE2-CE 3.46Å; E517-K520 IonicContact OE2-NZ 3.55Å; E517-K520 PolarHBondContact OE2-NZ 2.72Å; E517-D521 PolarHBondContact O-N 3.46Å
518	D	96.8	Very high	96.5	Very high	40 Å²	40	43 Å²	43	21%	0.214	22%	0.218	C	C	.	.	H	α-helix	trans	-60.2	-42.6	175.2	174.4	64.9	0	0	0	111.6	E514 S515 K520 D521 K522	E514-D518 HydrophobicContact CB-CB 4.11Å; S515-D518 PolarHBondContact O-N 2.98Å; S515-D518 PolarHBondContact OG-N 2.94Å; S515-D518 VanDerWaalsContact OG-N 3.1Å; D518-K520 PolarHBondContact O-N 3.31Å; D518-D521 PolarHBondContact O-N 3.27Å; D518-K522 WeakPolarHBondContact O-CB 3.23Å; D518-K522 WeakPolarHBondContact O-CG 3.48Å; D518-K522 PolarHBondContact O-N 3.19Å; D518-K522 VanDerWaalsContact OD1-CE 3.28Å; D518-K522 WeakPolarHBondContact OD1-CE 3.42Å; D518-K522 IonicContact OD1-NZ 2.71Å; D518-K522 VanDerWaalsContact OD2-CE 3.26Å; D518-K522 WeakPolarHBondContact OD2-CE 3.35Å; D518-K522 IonicContact OD2-NZ 2.87Å; D518-K522 PolarHBondContact OD2-NZ 3.06Å
519	A	97.9	Very high	96.3	Very high	1 Å²	1	44.1 Å²	44.1	1%	0.008	22%	0.223	C	C	.	.	H	α-helix	trans	-60.8	-45	176.9	0	0	0	0	0	112	F426 F491 A513 S515 E517 F523	F426-A519 HydrophobicContact CD2-CB 4.46Å; F426-A519 HydrophobicContact CE2-CB 4.19Å; F491-A519 HydrophobicContact CD1-CB 3.9Å; F491-A519 HydrophobicContact CE1-CB 3.85Å; A513-A519 HydrophobicContact CB-CB 4.29Å; S515-A519 WeakPolarHBondContact O-CB 3.48Å; S515-A519 PolarHBondContact O-N 3.22Å; E517-A519 VanDerWaalsContact C-N 3.32Å; E517-A519 PolarHBondContact O-N 3.36Å; A519-F523 WeakPolarHBondContact O-CB 3.41Å; A519-F523 PolarHBondContact O-N 3.18Å
520	K	97.6	Very high	95.9	Very high	10 Å²	10	44.8 Å²	44.8	4%	0.043	23%	0.226	C	C	.	.	H	α-helix	trans	-61.5	-46.9	175.1	-76.4	-179.3	-55.1	-171.2	0	112	S422 Q425 F426 F516 E517 D518 K522 F523 R524	S422-K520 WeakPolarHBondContact OG-CE 3.42Å; S422-K520 PolarHBondContact OG-NZ 2.85Å; Q425-K520 HydrophobicContact CB-CD 4.18Å; Q425-K520 HydrophobicContact CG-CD 3.98Å; F426-K520 HydrophobicContact CB-CD 4.06Å; F426-K520 HydrophobicContact CB-CG 3.66Å; F426-K520 HydrophobicContact CD2-CG 3.72Å; F426-K520 HydrophobicContact CG-CG 4.15Å; F516-K520 WeakPolarHBondContact O-CE 3.29Å; F516-K520 WeakPolarHBondContact O-CG 3.35Å; F516-K520 PolarHBondContact O-N 3.09Å; E517-K520 VanDerWaalsContact CD-CE 3.46Å; E517-K520 PolarHBondContact O-N 3.42Å; E517-K520 WeakPolarHBondContact OE1-CE 3.47Å; E517-K520 IonicContact OE1-NZ 3.58Å; E517-K520 PolarHBondContact OE1-NZ 3.02Å; E517-K520 WeakPolarHBondContact OE2-CE 3.46Å; E517-K520 IonicContact OE2-NZ 3.55Å; E517-K520 PolarHBondContact OE2-NZ 2.72Å; D518-K520 PolarHBondContact O-N 3.31Å; K520-K522 PolarHBondContact O-N 2.93Å; K520-F523 WeakPolarHBondContact O-CB 3.3Å; K520-F523 PolarHBondContact O-N 3.09Å; K520-R524 VanDerWaalsContact O-CG 3.26Å; K520-R524 WeakPolarHBondContact O-CG 3.36Å; K520-R524 PolarHBondContact O-N 2.8Å
521	D	97.7	Very high	95	Very high	71 Å²	71	49.2 Å²	49.2	38%	0.38	26%	0.257	S	S	.	.	H	α-helix	trans	-65.4	-40.5	-177.8	-75.5	-15.5	0	0	0	112.5	E517 D518 R524 R525	E517-D521 PolarHBondContact O-N 3.46Å; D518-D521 PolarHBondContact O-N 3.27Å; D521-R524 IonicContact OD1-CZ 3.85Å; D521-R524 IonicContact OD1-NH1 2.74Å; D521-R524 PolarHBondContact OD1-NH1 2.91Å; D521-R525 WeakPolarHBondContact O-CG 3.25Å; D521-R525 PolarHBondContact O-N 3.2Å; D521-R525 VanDerWaalsContact O-N 3.14Å; D521-R525 PolarHBondContact O-NE 2.94Å
522	K	98.3	Very high	93.9	Very high	34 Å²	34	50.9 Å²	50.9	15%	0.148	26%	0.263	C	S	.	.	H	α-helix	trans	-62.5	-45	171.6	-73.3	174.2	175.6	163.4	0	111.3	F491 P493 D518 K520 R525 W526	F491-K522 WeakPolarHBondContact O-CD 3.45Å; F491-K522 PolarHBondContact O-NZ 3.09Å; P493-K522 HydrophobicContact CG-CB 3.98Å; D518-K522 WeakPolarHBondContact O-CB 3.23Å; D518-K522 WeakPolarHBondContact O-CG 3.48Å; D518-K522 PolarHBondContact O-N 3.19Å; D518-K522 VanDerWaalsContact OD1-CE 3.28Å; D518-K522 WeakPolarHBondContact OD1-CE 3.42Å; D518-K522 IonicContact OD1-NZ 2.71Å; D518-K522 VanDerWaalsContact OD2-CE 3.26Å; D518-K522 WeakPolarHBondContact OD2-CE 3.35Å; D518-K522 IonicContact OD2-NZ 2.87Å; D518-K522 PolarHBondContact OD2-NZ 3.06Å; K520-K522 PolarHBondContact O-N 2.93Å; K522-R525 PolarHBondContact O-N 2.83Å; K522-W526 WeakPolarHBondContact O-CB 3.49Å; K522-W526 PolarHBondContact O-N 3.23Å
523	F	98	Very high	92.7	Very high	3 Å²	3	56 Å²	56	1%	0.013	30%	0.297	C	S	.	.	H	α-helix	trans	-61.1	-47.7	179.5	-176.1	-99.8	0	0	0	112	F426 E429 I430 A433 L445 V448 P493 A519 K520 R525 W526 V527	F426-F523 HydrophobicContact CE2-CB 4Å; F426-F523 HydrophobicContact CE2-CD2 4.47Å; F426-F523 HydrophobicContact CE2-CG 4.16Å; E429-F523 HydrophobicContact CB-CD1 4.07Å; E429-F523 HydrophobicContact CB-CE1 4.01Å; I430-F523 HydrophobicContact CB-CZ 4.2Å; I430-F523 HydrophobicContact CG1-CE1 4.21Å; I430-F523 HydrophobicContact CG1-CE2 3.99Å; I430-F523 HydrophobicContact CG1-CZ 3.81Å; A433-F523 HydrophobicContact CB-CE1 4.07Å; A433-F523 HydrophobicContact CB-CZ 3.84Å; L445-F523 HydrophobicContact CD2-CE2 3.9Å; L445-F523 HydrophobicContact CD2-CZ 3.69Å; V448-F523 HydrophobicContact CG1-CD2 4.16Å; V448-F523 HydrophobicContact CG1-CE2 4.13Å; P493-F523 HydrophobicContact CG-CB 4.46Å; A519-F523 WeakPolarHBondContact O-CB 3.41Å; A519-F523 PolarHBondContact O-N 3.18Å; K520-F523 WeakPolarHBondContact O-CB 3.3Å; K520-F523 PolarHBondContact O-N 3.09Å; F523-R525 PolarHBondContact O-N 2.71Å; F523-W526 HydrophobicContact CD2-CE3 4.01Å; F523-W526 HydrophobicContact CD2-CZ3 4.26Å; F523-W526 AromaticContact CE2-CE3 3.91Å; F523-W526 HydrophobicContact CE2-CE3 3.91Å; F523-W526 AromaticContact CE2-CZ3 3.74Å; F523-W526 HydrophobicContact CE2-CZ3 3.74Å; F523-W526 PolarHBondContact O-N 3.33Å; F523-W526 VanDerWaalsContact O-N 3.14Å; F523-V527 HydrophobicContact CD1-CG2 3.93Å; F523-V527 HydrophobicContact CD2-CG2 4.39Å; F523-V527 HydrophobicContact CE1-CG2 3.44Å; F523-V527 VanDerWaalsContact CE1-CG2 3.44Å; F523-V527 HydrophobicContact CE2-CG2 3.98Å; F523-V527 HydrophobicContact CG-CG2 4.36Å; F523-V527 HydrophobicContact CZ-CG2 3.46Å; F523-V527 VanDerWaalsContact CZ-CG2 3.46Å; F523-V527 WeakPolarHBondContact O-CG2 3.43Å; F523-V527 PolarHBondContact O-N 3.09Å
524	R	95.3	Very high	91.9	Very high	103 Å²	103	58.1 Å²	58.1	39%	0.389	31%	0.306	S	S	.	.	H	α-helix	trans	-58.4	-46.3	176.6	-69.6	166.2	-169.4	157.8	-8.6	112.2	E429 K520 D521 W526 V527 S528	E429-R524 VanDerWaalsContact CD-NE 3.33Å; E429-R524 IonicContact OE1-CZ 3.86Å; E429-R524 IonicContact OE1-NE 2.7Å; E429-R524 PolarHBondContact OE1-NE 3.35Å; E429-R524 VanDerWaalsContact OE1-NE 3.14Å; E429-R524 IonicContact OE1-NH2 3.79Å; E429-R524 PolarHBondContact OE1-NH2 3.15Å; E429-R524 WeakPolarHBondContact OE2-CG 3.43Å; E429-R524 IonicContact OE2-CZ 2.91Å; E429-R524 IonicContact OE2-NE 2.71Å; E429-R524 PolarHBondContact OE2-NE 3.45Å; E429-R524 IonicContact OE2-NH2 3.17Å; K520-R524 VanDerWaalsContact O-CG 3.26Å; K520-R524 WeakPolarHBondContact O-CG 3.36Å; K520-R524 PolarHBondContact O-N 2.8Å; D521-R524 IonicContact OD1-CZ 3.85Å; D521-R524 IonicContact OD1-NH1 2.74Å; D521-R524 PolarHBondContact OD1-NH1 2.91Å; R524-W526 VanDerWaalsContact C-N 3.31Å; R524-W526 PolarHBondContact O-N 3.18Å; R524-V527 PolarHBondContact O-N 3.22Å; R524-S528 PolarHBondContact O-N 3.39Å
525	R	95.5	Very high	91.3	Very high	134 Å²	134	58.2 Å²	58.2	51%	0.506	31%	0.306	S	S	.	.	H	α-helix	trans	-58.8	-44.2	175.5	-77.7	-179	-88.8	113	-7.4	111.1	D521 K522 F523 S528	D521-R525 WeakPolarHBondContact O-CG 3.25Å; D521-R525 PolarHBondContact O-N 3.2Å; D521-R525 VanDerWaalsContact O-N 3.14Å; D521-R525 PolarHBondContact O-NE 2.94Å; K522-R525 PolarHBondContact O-N 2.83Å; F523-R525 PolarHBondContact O-N 2.71Å; R525-S528 PolarHBondContact O-N 3.12Å; R525-S528 PolarHBondContact O-OG 3.26Å
526	W	96.4	Very high	91	Very high	28 Å²	28	56.5 Å²	56.5	11%	0.106	29%	0.294	C	S	.	.	H	α-helix	trans	-67.7	-43.1	177.9	175.9	67.6	0	0	0	113.2	K444 L445 V448 P493 A497 K522 F523 R524 S528 T529 M530	K444-W526 HydrophobicContact CB-CH2 4.05Å; K444-W526 HydrophobicContact CB-CZ2 4.1Å; L445-W526 HydrophobicContact CD2-CH2 4.33Å; L445-W526 HydrophobicContact CD2-CZ3 3.88Å; V448-W526 HydrophobicContact CG2-CH2 3.92Å; V448-W526 HydrophobicContact CG2-CZ3 3.94Å; P493-W526 HydrophobicContact CB-CB 3.62Å; P493-W526 HydrophobicContact CB-CD2 3.58Å; P493-W526 HydrophobicContact CB-CE3 3.72Å; P493-W526 HydrophobicContact CB-CG 3.55Å; P493-W526 HydrophobicContact CG-CB 4.13Å; A497-W526 HydrophobicContact CB-CH2 3.78Å; A497-W526 HydrophobicContact CB-CZ2 3.41Å; A497-W526 VanDerWaalsContact CB-CZ2 3.41Å; K522-W526 WeakPolarHBondContact O-CB 3.49Å; K522-W526 PolarHBondContact O-N 3.23Å; F523-W526 HydrophobicContact CD2-CE3 4.01Å; F523-W526 HydrophobicContact CD2-CZ3 4.26Å; F523-W526 AromaticContact CE2-CE3 3.91Å; F523-W526 HydrophobicContact CE2-CE3 3.91Å; F523-W526 AromaticContact CE2-CZ3 3.74Å; F523-W526 HydrophobicContact CE2-CZ3 3.74Å; F523-W526 PolarHBondContact O-N 3.33Å; F523-W526 VanDerWaalsContact O-N 3.14Å; R524-W526 VanDerWaalsContact C-N 3.31Å; R524-W526 PolarHBondContact O-N 3.18Å; W526-S528 VanDerWaalsContact C-N 3.26Å; W526-S528 PolarHBondContact O-N 2.85Å; W526-T529 WeakPolarHBondContact O-CB 3.43Å; W526-T529 PolarHBondContact O-N 3.26Å; W526-T529 PolarHBondContact O-OG1 3.43Å; W526-M530 HydrophobicContact CD2-CE 4.03Å; W526-M530 HydrophobicContact CE3-CE 3.62Å; W526-M530 HydrophobicContact CH2-CE 3.09Å; W526-M530 HydrophobicContact CZ2-CE 3.51Å; W526-M530 HydrophobicContact CZ3-CE 3.14Å
527	V	93.6	Very high	90.7	Very high	22 Å²	22	59.6 Å²	59.6	13%	0.133	31%	0.305	C	S	.	.	H	α-helix	trans	-59.9	-35.9	176.9	170.9	0	0	0	0	111.6	A433 F523 R524 T529 M530	A433-V527 HydrophobicContact CB-CG1 3.92Å; A433-V527 HydrophobicContact CB-CG2 3.71Å; F523-V527 HydrophobicContact CD1-CG2 3.93Å; F523-V527 HydrophobicContact CD2-CG2 4.39Å; F523-V527 HydrophobicContact CE1-CG2 3.44Å; F523-V527 VanDerWaalsContact CE1-CG2 3.44Å; F523-V527 HydrophobicContact CE2-CG2 3.98Å; F523-V527 HydrophobicContact CG-CG2 4.36Å; F523-V527 HydrophobicContact CZ-CG2 3.46Å; F523-V527 VanDerWaalsContact CZ-CG2 3.46Å; F523-V527 WeakPolarHBondContact O-CG2 3.43Å; F523-V527 PolarHBondContact O-N 3.09Å; R524-V527 PolarHBondContact O-N 3.22Å; V527-T529 PolarHBondContact O-N 3.38Å; V527-M530 HydrophobicContact CG1-SD 4.38Å; V527-M530 HydrophobicContact CG2-CE 4.26Å; V527-M530 HydrophobicContact CG2-SD 4.37Å; V527-M530 VanDerWaalsContact O-CB 3.25Å; V527-M530 WeakPolarHBondContact O-CB 3Å; V527-M530 WeakPolarHBondContact O-CG 3.14Å; V527-M530 PolarHBondContact O-N 3.44Å
528	S	90.1	Very high	90.5	Very high	87 Å²	87	56.7 Å²	56.7	61%	0.608	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.9	-12.4	174.5	73.6	0	0	0	0	114.8	R524 R525 W526	R524-S528 PolarHBondContact O-N 3.39Å; R525-S528 PolarHBondContact O-N 3.12Å; R525-S528 PolarHBondContact O-OG 3.26Å; W526-S528 VanDerWaalsContact C-N 3.26Å; W526-S528 PolarHBondContact O-N 2.85Å
529	T	89.5	Confident	90.3	Very high	105 Å²	105	55.9 Å²	55.9	64%	0.644	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.9	-7.1	174	73.5	0	0	0	0	113.4	W526 V527	W526-T529 WeakPolarHBondContact O-CB 3.43Å; W526-T529 PolarHBondContact O-N 3.26Å; W526-T529 PolarHBondContact O-OG1 3.43Å; V527-T529 PolarHBondContact O-N 3.38Å
530	M	87.6	Confident	89.9	Confident	31 Å²	31	59.5 Å²	59.5	15%	0.153	31%	0.31	C	S	.	.	S	Bend	trans	-71.5	160	176.7	-65.6	-176.2	175.6	0	0	111.5	L445 W526 V527 R532	L445-M530 HydrophobicContact CD2-CE 3.96Å; L445-M530 HydrophobicContact CG-CE 4.06Å; W526-M530 HydrophobicContact CD2-CE 4.03Å; W526-M530 HydrophobicContact CE3-CE 3.62Å; W526-M530 HydrophobicContact CH2-CE 3.09Å; W526-M530 HydrophobicContact CZ2-CE 3.51Å; W526-M530 HydrophobicContact CZ3-CE 3.14Å; V527-M530 HydrophobicContact CG1-SD 4.38Å; V527-M530 HydrophobicContact CG2-CE 4.26Å; V527-M530 HydrophobicContact CG2-SD 4.37Å; V527-M530 VanDerWaalsContact O-CB 3.25Å; V527-M530 WeakPolarHBondContact O-CB 3Å; V527-M530 WeakPolarHBondContact O-CG 3.14Å; V527-M530 PolarHBondContact O-N 3.44Å; M530-R532 VanDerWaalsContact C-N 3.26Å; M530-R532 PolarHBondContact O-N 2.9Å
531	S	78.6	Confident	89.5	Confident	93 Å²	93	67.3 Å²	67.3	65%	0.65	35%	0.347	S	S	*	.			trans	-82.2	1.4	-170.2	65.7	0	0	0	0	114.8	E441	E441-S531 PolarHBondContact OE1-N 3.12Å; E441-S531 PolarHBondContact OE1-OG 2.88Å
532	R	76.5	Confident	89.1	Confident	39 Å²	39	67 Å²	67	15%	0.147	35%	0.347	C	S	.	.			trans	-62.3	126.5	-172.9	-170.5	175.4	69.5	-171.1	-3.7	111	L432 L435 M530 F534 E535	L432-R532 PolarHBondContact O-NH1 2.5Å; L435-R532 WeakPolarHBondContact O-CD 3.25Å; L435-R532 PolarHBondContact O-NH1 2.76Å; L435-R532 VanDerWaalsContact O-NH1 3.1Å; M530-R532 VanDerWaalsContact C-N 3.26Å; M530-R532 PolarHBondContact O-N 2.9Å; R532-F534 HydrophobicContact CG-CD1 4.47Å; R532-F534 HydrophobicContact CG-CD2 4.07Å; R532-F534 HydrophobicContact CG-CE1 4.29Å; R532-F534 HydrophobicContact CG-CE2 3.9Å; R532-F534 HydrophobicContact CG-CG 4.35Å; R532-F534 HydrophobicContact CG-CZ 4Å; R532-F534 WeakPolarHBondContact CG-O 3.12Å; R532-F534 PolarHBondContact NE-O 3.14Å; R532-F534 PolarHBondContact O-N 3.18Å; R532-E535 IonicContact NH2-OE2 3.59Å; R532-E535 PolarHBondContact NH2-OE2 3.28Å
533	P	73.2	Confident	88.7	Confident	122 Å²	122	67.8 Å²	67.8	79%	0.792	35%	0.351	S	S	*	.	S	Bend	trans	-81	3.1	-171.8	31.3	-34.1	0	0	0	114.3
534	F	80.9	Confident	88.4	Confident	45 Å²	45	72.7 Å²	72.7	20%	0.197	37%	0.37	C	S	.	.	S	Bend	trans	-145.6	158.3	-176.9	53.5	-101.7	0	0	0	111	F245 R532 V536 V547	F245-F534 HydrophobicContact CE1-CE2 4.03Å; F245-F534 AromaticContact CE1-CZ 3.6Å; F245-F534 HydrophobicContact CE1-CZ 3.6Å; F245-F534 AromaticContact CZ-CE2 3.89Å; F245-F534 HydrophobicContact CZ-CE2 3.89Å; F245-F534 AromaticContact CZ-CZ 3.91Å; F245-F534 HydrophobicContact CZ-CZ 3.91Å; R532-F534 HydrophobicContact CG-CD1 4.47Å; R532-F534 HydrophobicContact CG-CD2 4.07Å; R532-F534 HydrophobicContact CG-CE1 4.29Å; R532-F534 HydrophobicContact CG-CE2 3.9Å; R532-F534 HydrophobicContact CG-CG 4.35Å; R532-F534 HydrophobicContact CG-CZ 4Å; R532-F534 WeakPolarHBondContact CG-O 3.12Å; R532-F534 PolarHBondContact NE-O 3.14Å; R532-F534 PolarHBondContact O-N 3.18Å; F534-V536 HydrophobicContact CD2-CG1 3.79Å; F534-V536 HydrophobicContact CE2-CG1 3.78Å; F534-V547 HydrophobicContact CB-CG1 3.79Å; F534-V547 HydrophobicContact CD1-CG1 4.38Å; F534-V547 HydrophobicContact CD2-CG1 3.72Å; F534-V547 HydrophobicContact CE2-CG1 4.42Å; F534-V547 HydrophobicContact CG-CG1 3.71Å
535	E	84.7	Confident	88.1	Confident	101 Å²	101	68 Å²	68	47%	0.472	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98	156.4	166.2	-73.4	-61.1	169.1	0	0	111.4	R532 L548	R532-E535 IonicContact NH2-OE2 3.59Å; R532-E535 PolarHBondContact NH2-OE2 3.28Å; E535-L548 HydrophobicContact CB-CB 4.25Å; E535-L548 HydrophobicContact CB-CD1 4.11Å; E535-L548 HydrophobicContact CB-CG 4.47Å; E535-L548 PolarHBondContact O-N 3.31Å
536	V	89.6	Confident	87.8	Confident	15 Å²	15	64.3 Å²	64.3	9%	0.091	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	145.9	176.6	-63.3	0	0	0	0	110.7	L432 F534 V545 E546 V547	L432-V536 HydrophobicContact CB-CG2 4.17Å; L432-V536 HydrophobicContact CD2-CG2 3.96Å; F534-V536 HydrophobicContact CD2-CG1 3.79Å; F534-V536 HydrophobicContact CE2-CG1 3.78Å; V536-V545 HydrophobicContact CB-CG1 3.69Å; V536-V545 HydrophobicContact CG1-CG1 4.02Å; V536-V545 HydrophobicContact CG2-CG1 4.37Å; V536-E546 CarbonylContact C-O 3.57Å; V536-E546 VanDerWaalsContact CA-O 3.31Å; V536-E546 WeakPolarHBondContact CA-O 3.45Å; V536-V547 HydrophobicContact CG1-CG2 4.38Å
537	R	89.8	Confident	87.3	Confident	75 Å²	75	63.7 Å²	63.7	28%	0.283	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	132.7	174.4	175.8	178.7	165.9	179	-10.7	109.6	V545 E546 L548	R537-V545 WeakPolarHBondContact O-CA 3.39Å; R537-E546 PolarHBondContact N-O 3.29Å; R537-E546 PolarHBondContact O-N 2.9Å; R537-L548 HydrophobicContact CB-CD1 4.33Å; R537-L548 HydrophobicContact CB-CD2 4.15Å; R537-L548 HydrophobicContact CB-CG 4.37Å
538	F	94.2	Very high	86.8	Confident	31 Å²	31	64.5 Å²	64.5	14%	0.136	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	128.9	167.3	-177.4	-115.4	0	0	0	110.6	F384 L432 P540 R544 V545	F384-F538 HydrophobicContact CB-CE2 4.34Å; F384-F538 HydrophobicContact CD1-CD2 4.37Å; F384-F538 AromaticContact CD1-CE2 3.87Å; F384-F538 HydrophobicContact CD1-CE2 3.87Å; F384-F538 HydrophobicContact CG-CE2 4.46Å; L432-F538 HydrophobicContact CD2-CB 4.16Å; F538-P540 HydrophobicContact CD1-CB 4.33Å; F538-P540 HydrophobicContact CE1-CB 3.89Å; F538-P540 WeakPolarHBondContact O-CD 3.47Å; F538-R544 WeakPolarHBondContact CD2-O 3.34Å; F538-V545 HydrophobicContact CD2-CG2 4.23Å
539	N	91.4	Very high	85.9	Confident	24 Å²	24	63.3 Å²	63.3	13%	0.128	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	103.4	172.1	-175	-16.9	0	0	0	109.2	H541 T542 E543 R544 E546	N539-H541 PolarHBondContact O-N 2.97Å; N539-H541 PolarHBondContact OD1-N 3.17Å; N539-H541 VanDerWaalsContact OD1-N 3.16Å; N539-T542 PolarHBondContact ND2-OG1 2.8Å; N539-T542 PolarHBondContact O-N 3.22Å; N539-E543 WeakPolarHBondContact O-CA 3.23Å; N539-E543 PolarHBondContact O-N 2.94Å; N539-R544 PolarHBondContact N-O 3.15Å; N539-R544 PolarHBondContact O-N 3.36Å; N539-E546 WeakPolarHBondContact CB-OE1 3.4Å; N539-E546 PolarHBondContact ND2-OE1 3.18Å
540	P	90	Very high	85	Confident	77 Å²	77	59.6 Å²	59.6	50%	0.5	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.8	-22.4	-175.3	27.3	-35.1	0	0	0	113.4	F538	F538-P540 HydrophobicContact CD1-CB 4.33Å; F538-P540 HydrophobicContact CE1-CB 3.89Å; F538-P540 WeakPolarHBondContact O-CD 3.47Å
541	H	88.1	Confident	84.6	Confident	174 Å²	174	62.9 Å²	62.9	81%	0.806	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.2	-26.2	-179.3	-56.2	98.7	0	0	0	112.9	N539	N539-H541 PolarHBondContact O-N 2.97Å; N539-H541 PolarHBondContact OD1-N 3.17Å; N539-H541 VanDerWaalsContact OD1-N 3.16Å
542	T	89.2	Confident	84.5	Confident	63 Å²	63	63 Å²	63	39%	0.387	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	-113.8	-3.2	-179.9	60.8	0	0	0	0	112.6	H248 N539 R544	H248-T542 PolarHBondContact CD2-O 3.25Å; H248-T542 PolarHBondContact NE2-O 2.81Å; N539-T542 PolarHBondContact ND2-OG1 2.8Å; N539-T542 PolarHBondContact O-N 3.22Å; T542-R544 WeakPolarHBondContact O-CG 3.19Å; T542-R544 PolarHBondContact O-N 3.46Å
543	E	90.5	Very high	84.4	Confident	51 Å²	51	64.8 Å²	64.8	24%	0.238	33%	0.333	C	S	.	.	T	Hydrogen-bonded Turn	trans	52.5	35	-173.9	-55.6	-170.5	-176.1	0	0	112.9	H248 A249 Y294 R359 N539	H248-E543 PolarHBondContact CD2-O 2.86Å; A249-E543 HydrophobicContact CB-CB 4.3Å; A249-E543 PolarHBondContact N-O 2.84Å; Y294-E543 WeakPolarHBondContact CE2-OE2 3.44Å; Y294-E543 PolarHBondContact OH-OE2 2.8Å; R359-E543 IonicContact NH1-OE1 3.88Å; N539-E543 WeakPolarHBondContact O-CA 3.23Å; N539-E543 PolarHBondContact O-N 2.94Å
544	R	91.2	Very high	84.8	Confident	106 Å²	106	62.8 Å²	62.8	40%	0.4	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	149.9	-179	-64.4	-173	83.4	82	7.2	111.9	K247 H248 F538 N539 T542	K247-R544 WeakPolarHBondContact O-CA 3.32Å; H248-R544 HydrophobicContact CB-CG 4.4Å; F538-R544 WeakPolarHBondContact CD2-O 3.34Å; N539-R544 PolarHBondContact N-O 3.15Å; N539-R544 PolarHBondContact O-N 3.36Å; T542-R544 WeakPolarHBondContact O-CG 3.19Å; T542-R544 PolarHBondContact O-N 3.46Å
545	V	90.8	Very high	84.9	Confident	5 Å²	5	66.5 Å²	66.5	3%	0.03	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	118.8	160.8	175.4	0	0	0	0	108.2	K247 F384 L432 L435 V536 R537 F538	K247-V545 PolarHBondContact O-N 2.82Å; F384-V545 HydrophobicContact CD1-CG2 4.33Å; F384-V545 HydrophobicContact CE1-CB 4.38Å; F384-V545 HydrophobicContact CE1-CG2 3.61Å; F384-V545 HydrophobicContact CE2-CG2 4.17Å; F384-V545 HydrophobicContact CZ-CB 4.24Å; F384-V545 HydrophobicContact CZ-CG2 3.51Å; L432-V545 HydrophobicContact CD2-CG2 4.37Å; L435-V545 HydrophobicContact CD1-CB 4.08Å; L435-V545 HydrophobicContact CD1-CG1 3.63Å; L435-V545 HydrophobicContact CD1-CG2 3.68Å; V536-V545 HydrophobicContact CB-CG1 3.69Å; V536-V545 HydrophobicContact CG1-CG1 4.02Å; V536-V545 HydrophobicContact CG2-CG1 4.37Å; R537-V545 WeakPolarHBondContact O-CA 3.39Å; F538-V545 HydrophobicContact CD2-CG2 4.23Å
546	E	87.3	Confident	84.8	Confident	56 Å²	56	65.3 Å²	65.3	26%	0.262	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95	126.6	176	-65.6	171.7	-171.8	0	0	108.7	V536 R537 N539	V536-E546 CarbonylContact C-O 3.57Å; V536-E546 VanDerWaalsContact CA-O 3.31Å; V536-E546 WeakPolarHBondContact CA-O 3.45Å; R537-E546 PolarHBondContact N-O 3.29Å; R537-E546 PolarHBondContact O-N 2.9Å; N539-E546 WeakPolarHBondContact CB-OE1 3.4Å; N539-E546 PolarHBondContact ND2-OE1 3.18Å
547	V	85.9	Confident	84.6	Confident	15 Å²	15	65.5 Å²	65.5	9%	0.091	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	126.1	171	-174.4	0	0	0	0	107.7	F245 F534 V536 D549	F245-V547 HydrophobicContact CE2-CG2 4.22Å; F245-V547 HydrophobicContact CZ-CG2 3.79Å; F534-V547 HydrophobicContact CB-CG1 3.79Å; F534-V547 HydrophobicContact CD1-CG1 4.38Å; F534-V547 HydrophobicContact CD2-CG1 3.72Å; F534-V547 HydrophobicContact CE2-CG1 4.42Å; F534-V547 HydrophobicContact CG-CG1 3.71Å; V536-V547 HydrophobicContact CG1-CG2 4.38Å; V547-D549 VanDerWaalsContact C-N 3.33Å; V547-D549 HydrophobicContact CG1-CB 4.02Å; V547-D549 PolarHBondContact O-N 3.18Å
548	L	83.4	Confident	84.6	Confident	39 Å²	39	65.8 Å²	65.8	20%	0.204	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	73.8	179.7	-55	-173.8	0	0	0	109.3	E535 R537 L554 L557	E535-L548 HydrophobicContact CB-CB 4.25Å; E535-L548 HydrophobicContact CB-CD1 4.11Å; E535-L548 HydrophobicContact CB-CG 4.47Å; E535-L548 PolarHBondContact O-N 3.31Å; R537-L548 HydrophobicContact CB-CD1 4.33Å; R537-L548 HydrophobicContact CB-CD2 4.15Å; R537-L548 HydrophobicContact CB-CG 4.37Å; L548-L554 HydrophobicContact CB-CD2 4.1Å; L548-L554 HydrophobicContact CD1-CD2 4.2Å; L548-L557 HydrophobicContact CD1-CD1 4.49Å; L548-L557 HydrophobicContact CD2-CD1 3.47Å; L548-L557 VanDerWaalsContact CD2-CD1 3.47Å
549	D	72.1	Confident	84.4	Confident	63 Å²	63	70.4 Å²	70.4	34%	0.337	37%	0.365	S	S	.	.			trans	-110.4	-1.6	-171.6	51.4	24.9	0	0	0	113.8	V547 K553	V547-D549 VanDerWaalsContact C-N 3.33Å; V547-D549 HydrophobicContact CG1-CB 4.02Å; V547-D549 PolarHBondContact O-N 3.18Å; D549-K553 VanDerWaalsContact CG-NZ 3.27Å; D549-K553 WeakPolarHBondContact OD1-CD 3.12Å; D549-K553 WeakPolarHBondContact OD1-CE 3.5Å; D549-K553 IonicContact OD1-NZ 3.86Å; D549-K553 PolarHBondContact OD1-NZ 3.47Å; D549-K553 IonicContact OD2-NZ 2.7Å; D549-K553 PolarHBondContact OD2-NZ 3.41Å; D549-K553 VanDerWaalsContact OD2-NZ 3.1Å
550	S	71.3	Confident	84.2	Confident	27 Å²	27	73.5 Å²	73.5	19%	0.189	38%	0.378	C	S	.	.			trans	-142.8	146.8	-174.2	44.1	0	0	0	0	112.8	D552 K553 L554	S550-D552 VanDerWaalsContact C-N 3.34Å; S550-D552 PolarHBondContact O-N 3.43Å; S550-K553 PolarHBondContact O-N 3Å; S550-K553 WeakPolarHBondContact OG-CD 2.99Å; S550-K553 WeakPolarHBondContact OG-CE 3.47Å; S550-K553 WeakPolarHBondContact OG-CG 3.34Å; S550-L554 WeakPolarHBondContact O-CG 3.44Å; S550-L554 PolarHBondContact O-N 3.12Å; S550-L554 VanDerWaalsContact O-N 3.11Å
551	V	77.9	Confident	84.2	Confident	100 Å²	100	75.1 Å²	75.1	61%	0.606	38%	0.381	S	S	*	.	H	α-helix	trans	-61.4	-41.7	179	-178.6	0	0	0	0	110.8	K553 L554 E555	V551-K553 PolarHBondContact O-N 3.16Å; V551-L554 CarbonylContact O-C 3.51Å; V551-L554 WeakPolarHBondContact O-CB 3.33Å; V551-L554 PolarHBondContact O-N 3.42Å; V551-L554 VanDerWaalsContact O-N 3.13Å; V551-E555 HydrophobicContact CG1-CG 4.11Å; V551-E555 WeakPolarHBondContact O-CB 3.44Å; V551-E555 WeakPolarHBondContact O-CG 3.46Å; V551-E555 PolarHBondContact O-N 2.8Å
552	D	77	Confident	84.6	Confident	95 Å²	95	71.1 Å²	71.1	51%	0.508	37%	0.365	S	S	.	.	H	α-helix	trans	-60.5	-41.7	178.4	-64.3	-45.3	0	0	0	113.1	S550 T556	S550-D552 VanDerWaalsContact C-N 3.34Å; S550-D552 PolarHBondContact O-N 3.43Å; D552-T556 WeakPolarHBondContact O-CB 3.19Å; D552-T556 PolarHBondContact O-N 3.5Å; D552-T556 PolarHBondContact O-OG1 3.4Å
553	K	74.9	Confident	84.8	Confident	77 Å²	77	70.6 Å²	70.6	34%	0.335	36%	0.362	S	S	.	.	H	α-helix	trans	-62	-49.4	174.6	-72	177.7	-164.1	160.1	0	109	E137 D549 S550 V551 E555 T556 L557	E137-K553 IonicContact OE2-NZ 3.84Å; E137-K553 PolarHBondContact OE2-NZ 2.86Å; D549-K553 VanDerWaalsContact CG-NZ 3.27Å; D549-K553 WeakPolarHBondContact OD1-CD 3.12Å; D549-K553 WeakPolarHBondContact OD1-CE 3.5Å; D549-K553 IonicContact OD1-NZ 3.86Å; D549-K553 PolarHBondContact OD1-NZ 3.47Å; D549-K553 IonicContact OD2-NZ 2.7Å; D549-K553 PolarHBondContact OD2-NZ 3.41Å; D549-K553 VanDerWaalsContact OD2-NZ 3.1Å; S550-K553 PolarHBondContact O-N 3Å; S550-K553 WeakPolarHBondContact OG-CD 2.99Å; S550-K553 WeakPolarHBondContact OG-CE 3.47Å; S550-K553 WeakPolarHBondContact OG-CG 3.34Å; V551-K553 PolarHBondContact O-N 3.16Å; K553-E555 PolarHBondContact O-N 3.33Å; K553-T556 WeakPolarHBondContact O-CB 3.36Å; K553-T556 PolarHBondContact O-N 2.78Å; K553-L557 WeakPolarHBondContact O-CG 3.26Å; K553-L557 PolarHBondContact O-N 2.94Å; K553-L557 VanDerWaalsContact O-N 3.07Å
554	L	81.5	Confident	84.9	Confident	79 Å²	79	73.9 Å²	73.9	41%	0.414	38%	0.378	S	S	.	.	H	α-helix	trans	-59.8	-45.9	178.8	-69.8	171.5	0	0	0	112.6	L548 S550 V551 T556 L557 V558	L548-L554 HydrophobicContact CB-CD2 4.1Å; L548-L554 HydrophobicContact CD1-CD2 4.2Å; S550-L554 WeakPolarHBondContact O-CG 3.44Å; S550-L554 PolarHBondContact O-N 3.12Å; S550-L554 VanDerWaalsContact O-N 3.11Å; V551-L554 CarbonylContact O-C 3.51Å; V551-L554 WeakPolarHBondContact O-CB 3.33Å; V551-L554 PolarHBondContact O-N 3.42Å; V551-L554 VanDerWaalsContact O-N 3.13Å; L554-T556 VanDerWaalsContact C-N 3.33Å; L554-T556 PolarHBondContact O-N 3.37Å; L554-L557 PolarHBondContact O-N 3.48Å; L554-L557 VanDerWaalsContact O-N 3.14Å; L554-V558 WeakPolarHBondContact O-CG2 3.26Å; L554-V558 PolarHBondContact O-N 3.46Å
555	E	82.7	Confident	85.2	Confident	123 Å²	123	73 Å²	73	58%	0.575	38%	0.38	S	S	*	.	H	α-helix	trans	-59.9	-42.7	177.2	-76.6	-173.2	178.2	0	0	111.8	V551 K553 L557 V558 H559	V551-E555 HydrophobicContact CG1-CG 4.11Å; V551-E555 WeakPolarHBondContact O-CB 3.44Å; V551-E555 WeakPolarHBondContact O-CG 3.46Å; V551-E555 PolarHBondContact O-N 2.8Å; K553-E555 PolarHBondContact O-N 3.33Å; E555-L557 VanDerWaalsContact C-N 3.3Å; E555-L557 PolarHBondContact O-N 3.49Å; E555-V558 PolarHBondContact O-N 3.14Å; E555-H559 WeakPolarHBondContact O-CB 3.35Å; E555-H559 PolarHBondContact O-N 3.32Å
556	T	82	Confident	85.4	Confident	77 Å²	77	77.5 Å²	77.5	47%	0.472	40%	0.403	S	S	.	.	H	α-helix	trans	-59.6	-43	175.5	-58.1	0	0	0	0	111	D552 K553 L554 H559 Q560	D552-T556 WeakPolarHBondContact O-CB 3.19Å; D552-T556 PolarHBondContact O-N 3.5Å; D552-T556 PolarHBondContact O-OG1 3.4Å; K553-T556 WeakPolarHBondContact O-CB 3.36Å; K553-T556 PolarHBondContact O-N 2.78Å; L554-T556 VanDerWaalsContact C-N 3.33Å; L554-T556 PolarHBondContact O-N 3.37Å; T556-H559 PolarHBondContact O-N 3.48Å; T556-Q560 WeakPolarHBondContact O-CG 3.46Å; T556-Q560 PolarHBondContact O-N 3.27Å
557	L	84.7	Confident	85.8	Confident	18 Å²	18	80.2 Å²	80.2	9%	0.094	42%	0.416	C	S	.	.	H	α-helix	trans	-69.9	-40.6	178.5	-59.8	-174.7	0	0	0	112.5	L548 K553 L554 E555 H559 Q560 M561	L548-L557 HydrophobicContact CD1-CD1 4.49Å; L548-L557 HydrophobicContact CD2-CD1 3.47Å; L548-L557 VanDerWaalsContact CD2-CD1 3.47Å; K553-L557 WeakPolarHBondContact O-CG 3.26Å; K553-L557 PolarHBondContact O-N 2.94Å; K553-L557 VanDerWaalsContact O-N 3.07Å; L554-L557 PolarHBondContact O-N 3.48Å; L554-L557 VanDerWaalsContact O-N 3.14Å; E555-L557 VanDerWaalsContact C-N 3.3Å; E555-L557 PolarHBondContact O-N 3.49Å; L557-H559 VanDerWaalsContact C-N 3.27Å; L557-H559 PolarHBondContact O-N 2.69Å; L557-Q560 WeakPolarHBondContact O-CB 3.45Å; L557-Q560 PolarHBondContact O-N 3.2Å; L557-M561 WeakPolarHBondContact O-CG 3.44Å; L557-M561 PolarHBondContact O-N 2.96Å
558	V	90.4	Very high	86.2	Confident	81 Å²	81	84.7 Å²	84.7	49%	0.491	44%	0.439	S	S	.	.	H	α-helix	trans	-60.7	-40.5	174.8	169.3	0	0	0	0	110.2	L554 E555 M561 N562	L554-V558 WeakPolarHBondContact O-CG2 3.26Å; L554-V558 PolarHBondContact O-N 3.46Å; E555-V558 PolarHBondContact O-N 3.14Å; V558-M561 PolarHBondContact O-N 3.08Å; V558-N562 WeakPolarHBondContact O-CB 3.46Å; V558-N562 VanDerWaalsContact O-CG 3.25Å; V558-N562 PolarHBondContact O-N 3.48Å; V558-N562 PolarHBondContact O-ND2 3.35Å
559	H	90	Very high	86.7	Confident	128 Å²	128	86.1 Å²	86.1	59%	0.593	45%	0.449	S	S	*	.	H	α-helix	trans	-63.9	-42.1	175.5	-170.4	73.1	0	0	0	112.7	E555 T556 L557 N562 T563	E555-H559 WeakPolarHBondContact O-CB 3.35Å; E555-H559 PolarHBondContact O-N 3.32Å; T556-H559 PolarHBondContact O-N 3.48Å; L557-H559 VanDerWaalsContact C-N 3.27Å; L557-H559 PolarHBondContact O-N 2.69Å; H559-N562 PolarHBondContact O-N 2.92Å; H559-T563 PolarHBondContact O-N 3.1Å; H559-T563 PolarHBondContact O-OG1 3.49Å
560	Q	87.3	Confident	87.8	Confident	89 Å²	89	86.8 Å²	86.8	42%	0.416	45%	0.452	S	S	.	.	H	α-helix	trans	-60.7	-48	173.5	-71.1	172.6	3.9	0	0	111.3	T556 L557 N562 T563 E564	T556-Q560 WeakPolarHBondContact O-CG 3.46Å; T556-Q560 PolarHBondContact O-N 3.27Å; L557-Q560 WeakPolarHBondContact O-CB 3.45Å; L557-Q560 PolarHBondContact O-N 3.2Å; Q560-N562 PolarHBondContact O-N 3.42Å; Q560-T563 WeakPolarHBondContact O-CB 3.32Å; Q560-T563 PolarHBondContact O-N 2.98Å; Q560-T563 VanDerWaalsContact O-N 3.11Å; Q560-E564 PolarHBondContact O-N 3.05Å
561	M	91	Very high	88.9	Confident	112 Å²	112	87.7 Å²	87.7	55%	0.552	46%	0.461	S	S	*	.	H	α-helix	trans	-62.4	-41.2	178.2	-73.1	-179.4	64.2	0	0	112.3	L557 V558 T563 E564 I565	L557-M561 WeakPolarHBondContact O-CG 3.44Å; L557-M561 PolarHBondContact O-N 2.96Å; V558-M561 PolarHBondContact O-N 3.08Å; M561-T563 PolarHBondContact O-N 3.33Å; M561-E564 PolarHBondContact O-N 3.01Å; M561-I565 WeakPolarHBondContact O-CB 3Å; M561-I565 VanDerWaalsContact O-CG1 3.27Å; M561-I565 WeakPolarHBondContact O-CG1 3.48Å; M561-I565 PolarHBondContact O-N 3.43Å
562	N	94.9	Very high	89.7	Confident	89 Å²	89	87 Å²	87	48%	0.476	45%	0.453	S	S	.	.	H	α-helix	trans	-61.6	-34.8	175.4	-76.6	-26.9	0	0	0	111.9	V558 H559 Q560 L566	V558-N562 WeakPolarHBondContact O-CB 3.46Å; V558-N562 VanDerWaalsContact O-CG 3.25Å; V558-N562 PolarHBondContact O-N 3.48Å; V558-N562 PolarHBondContact O-ND2 3.35Å; H559-N562 PolarHBondContact O-N 2.92Å; Q560-N562 PolarHBondContact O-N 3.42Å; N562-L566 VanDerWaalsContact O-CB 3.24Å; N562-L566 WeakPolarHBondContact O-CB 3.5Å; N562-L566 PolarHBondContact O-N 3.13Å
563	T	93.9	Very high	90.5	Very high	53 Å²	53	85.3 Å²	85.3	33%	0.325	45%	0.449	S	S	.	.	H	α-helix	trans	-66.3	-45	174.7	-56.5	0	0	0	0	111.1	H559 Q560 M561 L566 H567	H559-T563 PolarHBondContact O-N 3.1Å; H559-T563 PolarHBondContact O-OG1 3.49Å; Q560-T563 WeakPolarHBondContact O-CB 3.32Å; Q560-T563 PolarHBondContact O-N 2.98Å; Q560-T563 VanDerWaalsContact O-N 3.11Å; M561-T563 PolarHBondContact O-N 3.33Å; T563-L566 WeakPolarHBondContact O-CB 3.44Å; T563-L566 PolarHBondContact O-N 3.11Å; T563-H567 PolarHBondContact O-CD2 3.44Å; T563-H567 PolarHBondContact O-N 3.09Å
564	E	92.9	Very high	91.3	Very high	120 Å²	120	89.1 Å²	89.1	56%	0.561	47%	0.466	S	S	*	.	H	α-helix	trans	-63.3	-46.1	175.1	-66.1	-57.5	147.7	0	0	112	Q560 M561 L566 H567 L568	Q560-E564 PolarHBondContact O-N 3.05Å; M561-E564 PolarHBondContact O-N 3.01Å; E564-L566 VanDerWaalsContact C-N 3.27Å; E564-L566 PolarHBondContact O-N 3.32Å; E564-H567 WeakPolarHBondContact O-CB 2.79Å; E564-H567 PolarHBondContact O-N 3.24Å; E564-H567 VanDerWaalsContact O-N 3.1Å; E564-L568 WeakPolarHBondContact O-CG 3.43Å; E564-L568 PolarHBondContact O-N 2.79Å
565	I	96.7	Very high	91.9	Very high	88 Å²	88	92.4 Å²	92.4	45%	0.451	48%	0.483	S	S	.	.	H	α-helix	trans	-58.9	-40.6	175.6	-70.2	168.3	0	0	0	110.6	M561 L568 T569	M561-I565 WeakPolarHBondContact O-CB 3Å; M561-I565 VanDerWaalsContact O-CG1 3.27Å; M561-I565 WeakPolarHBondContact O-CG1 3.48Å; M561-I565 PolarHBondContact O-N 3.43Å; I565-L568 PolarHBondContact O-N 3.28Å; I565-T569 VanDerWaalsContact O-CB 3.27Å; I565-T569 WeakPolarHBondContact O-CB 3.24Å; I565-T569 PolarHBondContact O-N 3.34Å; I565-T569 PolarHBondContact O-OG1 3.41Å
566	L	96	Very high	92.3	Very high	99 Å²	99	96.3 Å²	96.3	52%	0.518	49%	0.493	S	S	.	.	H	α-helix	trans	-62.4	-44.5	175	179.5	66.5	0	0	0	111.4	N562 T563 E564 T569 N570	N562-L566 VanDerWaalsContact O-CB 3.24Å; N562-L566 WeakPolarHBondContact O-CB 3.5Å; N562-L566 PolarHBondContact O-N 3.13Å; T563-L566 WeakPolarHBondContact O-CB 3.44Å; T563-L566 PolarHBondContact O-N 3.11Å; E564-L566 VanDerWaalsContact C-N 3.27Å; E564-L566 PolarHBondContact O-N 3.32Å; L566-T569 PolarHBondContact O-N 3.08Å; L566-N570 WeakPolarHBondContact O-CB 3.14Å; L566-N570 VanDerWaalsContact O-CG 3.25Å; L566-N570 PolarHBondContact O-N 3.29Å; L566-N570 PolarHBondContact O-ND2 3.07Å; L566-N570 VanDerWaalsContact O-ND2 3.09Å
567	H	94.4	Very high	92.3	Very high	113 Å²	113	101.4 Å²	101.4	52%	0.523	50%	0.503	S	S	.	.	H	α-helix	trans	-61.6	-45.1	175.8	-75.5	-61	0	0	0	112.1	T563 E564 N570 A571	T563-H567 PolarHBondContact O-CD2 3.44Å; T563-H567 PolarHBondContact O-N 3.09Å; E564-H567 WeakPolarHBondContact O-CB 2.79Å; E564-H567 PolarHBondContact O-N 3.24Å; E564-H567 VanDerWaalsContact O-N 3.1Å; H567-N570 PolarHBondContact O-N 3.35Å; H567-A571 PolarHBondContact O-N 3.4Å
568	L	94.7	Very high	91.8	Very high	109 Å²	109	106.3 Å²	106.3	57%	0.571	54%	0.536	S	S	*	.	H	α-helix	trans	-62.8	-44	176.6	-68.4	172.8	0	0	0	111.7	E564 I565 N570 A571 I572	E564-L568 WeakPolarHBondContact O-CG 3.43Å; E564-L568 PolarHBondContact O-N 2.79Å; I565-L568 PolarHBondContact O-N 3.28Å; L568-N570 VanDerWaalsContact C-N 3.34Å; L568-N570 PolarHBondContact O-N 3.47Å; L568-A571 WeakPolarHBondContact O-CB 3.46Å; L568-A571 PolarHBondContact O-N 3.13Å; L568-A571 VanDerWaalsContact O-N 3.16Å; L568-I572 WeakPolarHBondContact O-CG1 3.48Å; L568-I572 PolarHBondContact O-N 3.26Å
569	T	94.7	Very high	90.4	Very high	69 Å²	69	115.8 Å²	115.8	42%	0.423	57%	0.571	S	S	.	*	H	α-helix	trans	-62.9	-40.8	177.8	-58.6	0	0	0	0	111.6	I565 L566 I572 S573	I565-T569 VanDerWaalsContact O-CB 3.27Å; I565-T569 WeakPolarHBondContact O-CB 3.24Å; I565-T569 PolarHBondContact O-N 3.34Å; I565-T569 PolarHBondContact O-OG1 3.41Å; L566-T569 PolarHBondContact O-N 3.08Å; T569-I572 PolarHBondContact O-N 3.03Å; T569-S573 WeakPolarHBondContact O-CB 3.36Å; T569-S573 PolarHBondContact O-N 3.48Å; T569-S573 PolarHBondContact O-OG 2.91Å; T569-S573 VanDerWaalsContact O-OG 3.07Å
570	N	94.9	Very high	90.4	Very high	76 Å²	76	115.2 Å²	115.2	41%	0.406	57%	0.57	S	S	.	*	H	α-helix	trans	-63.7	-41.3	174	-77.9	-37.3	0	0	0	111.8	L566 H567 L568 S573 K574	L566-N570 WeakPolarHBondContact O-CB 3.14Å; L566-N570 VanDerWaalsContact O-CG 3.25Å; L566-N570 PolarHBondContact O-N 3.29Å; L566-N570 PolarHBondContact O-ND2 3.07Å; L566-N570 VanDerWaalsContact O-ND2 3.09Å; H567-N570 PolarHBondContact O-N 3.35Å; L568-N570 VanDerWaalsContact C-N 3.34Å; L568-N570 PolarHBondContact O-N 3.47Å; N570-S573 PolarHBondContact O-N 3.22Å; N570-K574 WeakPolarHBondContact O-CG 3.42Å; N570-K574 PolarHBondContact O-N 2.87Å
571	A	94.7	Very high	90.6	Very high	46 Å²	46	116.5 Å²	116.5	38%	0.38	58%	0.578	S	S	.	*	H	α-helix	trans	-63.1	-46.6	175.5	0	0	0	0	0	111.4	H567 L568 S573 K574 L575	H567-A571 PolarHBondContact O-N 3.4Å; L568-A571 WeakPolarHBondContact O-CB 3.46Å; L568-A571 PolarHBondContact O-N 3.13Å; L568-A571 VanDerWaalsContact O-N 3.16Å; A571-S573 VanDerWaalsContact C-N 3.32Å; A571-S573 PolarHBondContact O-N 3.34Å; A571-K574 PolarHBondContact O-N 2.91Å; A571-L575 WeakPolarHBondContact O-CG 3.38Å; A571-L575 PolarHBondContact O-N 2.81Å
572	I	94.3	Very high	90.6	Very high	85 Å²	85	116.8 Å²	116.8	44%	0.436	58%	0.58	S	S	.	*	H	α-helix	trans	-58.6	-45.1	175.9	-68.6	166.7	0	0	0	110.7	L568 T569 K574 L575 R576	L568-I572 WeakPolarHBondContact O-CG1 3.48Å; L568-I572 PolarHBondContact O-N 3.26Å; T569-I572 PolarHBondContact O-N 3.03Å; I572-K574 VanDerWaalsContact C-N 3.34Å; I572-K574 PolarHBondContact O-N 3.04Å; I572-L575 PolarHBondContact O-N 3.04Å; I572-R576 HydrophobicContact CG2-CG 4.34Å; I572-R576 WeakPolarHBondContact O-CB 3.49Å; I572-R576 WeakPolarHBondContact O-CG 3.45Å; I572-R576 PolarHBondContact O-N 2.83Å
573	S	93.1	Very high	90.3	Very high	61 Å²	61	118.4 Å²	118.4	43%	0.427	59%	0.586	S	S	.	*	H	α-helix	trans	-64.9	-36.7	179.4	-69.3	0	0	0	0	112.7	T569 N570 A571 R577	T569-S573 WeakPolarHBondContact O-CB 3.36Å; T569-S573 PolarHBondContact O-N 3.48Å; T569-S573 PolarHBondContact O-OG 2.91Å; T569-S573 VanDerWaalsContact O-OG 3.07Å; N570-S573 PolarHBondContact O-N 3.22Å; A571-S573 VanDerWaalsContact C-N 3.32Å; A571-S573 PolarHBondContact O-N 3.34Å; S573-R577 WeakPolarHBondContact O-CG 3.31Å; S573-R577 PolarHBondContact O-N 2.81Å
574	K	92.9	Very high	90.1	Very high	156 Å²	156	122.5 Å²	122.5	68%	0.678	60%	0.602	S	S	*	*	H	α-helix	trans	-67.1	-43.3	173.8	-75.1	177.1	-178.3	178.8	0	111.9	N570 A571 I572 R576 R577	N570-K574 WeakPolarHBondContact O-CG 3.42Å; N570-K574 PolarHBondContact O-N 2.87Å; A571-K574 PolarHBondContact O-N 2.91Å; I572-K574 VanDerWaalsContact C-N 3.34Å; I572-K574 PolarHBondContact O-N 3.04Å; K574-R576 VanDerWaalsContact C-N 3.32Å; K574-R576 PolarHBondContact O-N 3.08Å; K574-R577 PolarHBondContact O-N 2.98Å
575	L	92.8	Very high	89.9	Confident	149 Å²	149	122.7 Å²	122.7	78%	0.78	61%	0.605	S	S	*	*	H	α-helix	trans	-69.9	-27.1	179.1	-70	172	0	0	0	113.1	A571 I572	A571-L575 WeakPolarHBondContact O-CG 3.38Å; A571-L575 PolarHBondContact O-N 2.81Å; I572-L575 PolarHBondContact O-N 3.04Å
576	R	91.2	Very high	89.4	Confident	204 Å²	204	125.1 Å²	125.1	77%	0.77	62%	0.616	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.9	-12.1	175	-75.8	-176.4	176.7	-172.6	-0.2	114.2	I572 K574	I572-R576 HydrophobicContact CG2-CG 4.34Å; I572-R576 WeakPolarHBondContact O-CB 3.49Å; I572-R576 WeakPolarHBondContact O-CG 3.45Å; I572-R576 PolarHBondContact O-N 2.83Å; K574-R576 VanDerWaalsContact C-N 3.32Å; K574-R576 PolarHBondContact O-N 3.08Å
577	R	82.9	Confident	88.9	Confident	184 Å²	184	127.2 Å²	127.2	69%	0.694	62%	0.623	S	S	*	*	S	Bend	trans	-68.5	126.6	175.7	-76.4	176.7	-174.6	-171.2	0.3	108.4	S573 K574 F579	S573-R577 WeakPolarHBondContact O-CG 3.31Å; S573-R577 PolarHBondContact O-N 2.81Å; K574-R577 PolarHBondContact O-N 2.98Å; R577-F579 PolarHBondContact O-N 3.16Å
578	P	74.5	Confident	88.4	Confident	121 Å²	121	128.3 Å²	128.3	79%	0.786	63%	0.632	S	S	*	*			trans	-58.5	134.3	172.8	23.9	-30.6	0	0	0	108.8
579	F	60.6	Low	87.9	Confident	280 Å²	280	130.1 Å²	130.1	100%	1.228	64%	0.637	S	S	*	*			trans	-59.7	0	171.6	-84.7	-82.3	0	0	0	111.7	R577	R577-F579 PolarHBondContact O-N 3.16Å

Retrieved 579 of 579 residues in 122.4 ms (Link to these results)

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