A0A077Z5S3_TRITR Loading...

DNA replication licensing factor MCM5

Acts as component of the MCM2-7 complex (MCM complex) which is the replicative helicase essential for 'once per cell cycle' DNA replication initiation and elongation in eukaryotic cells. The active ATPase sites in the MCM2-7 ring are formed through the interaction surfaces of two neighboring subunits such that a critical structure of a conserved arginine finger motif is provided in trans relative to the ATP-binding site of the Walker A box of the adjacent subunit. The six ATPase active sites, however, are likely to contribute differentially to the complex helicase activity.

AlphaFold DB , UniProt , Accession A0A077Z5S3, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 739 aa.

Structure Viewer

Loading PAE data...

(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	40	Very low	38.8	Very low	247 Å²	247	140 Å²	140	100%	1.217	85%	0.853	S	S	*	*				0	120.3	0	-75.8	-170.2	-175.9	0	0	107.7
2	A	39.2	Very low	38.4	Very low	107 Å²	107	136.3 Å²	136.3	88%	0.884	85%	0.848	S	S	*	*			trans	52.4	111.1	174.8	0	0	0	0	0	116.3
3	G	35.7	Very low	37.7	Very low	64 Å²	64	133.2 Å²	133.2	66%	0.66	84%	0.835	S	S	*	*			cis	99.8	98.4	31.8	0	0	0	0	0	108.7
4	F	45.8	Very low	37.5	Very low	211 Å²	211	140.7 Å²	140.7	93%	0.925	84%	0.839	S	S	*	*			trans	-164.9	105.5	152.3	-102.4	-70.3	0	0	0	110.2
5	D	36.5	Very low	37.2	Very low	161 Å²	161	144.6 Å²	144.6	86%	0.861	84%	0.842	S	S	*	*			trans	-62.1	134.2	167.8	-64.5	-61.7	0	0	0	111.5
6	V	48	Very low	37.2	Very low	145 Å²	145	145.4 Å²	145.4	88%	0.879	84%	0.841	S	S	*	*			trans	-129.8	115.3	157.7	-172.1	0	0	0	0	107.9
7	A	42.3	Very low	37.1	Very low	82 Å²	82	143.6 Å²	143.6	68%	0.678	84%	0.835	S	S	*	*	P	Polyproline II helix	trans	-56.6	149.8	-170.6	0	0	0	0	0	115	L9	A7-L9 PolarHBondContact O-N 3.06Å
8	P	36.6	Very low	36.9	Very low	127 Å²	127	141.7 Å²	141.7	83%	0.825	83%	0.831	S	S	*	*	P	Polyproline II helix	trans	-79.8	116.2	170	31.9	-27.7	0	0	0	109.1	S10	P8-S10 PolarHBondContact O-N 3.29Å
9	L	38.7	Very low	37	Very low	176 Å²	176	140.8 Å²	140.8	92%	0.921	83%	0.827	S	S	*	*	P	Polyproline II helix	trans	-63.6	128.9	168.5	-90.6	149.3	0	0	0	109.5	A7	A7-L9 PolarHBondContact O-N 3.06Å
10	S	34.2	Very low	36.8	Very low	104 Å²	104	139.9 Å²	139.9	73%	0.727	82%	0.823	S	S	*	*	P	Polyproline II helix	trans	-47.7	126.7	-169.4	56.6	0	0	0	0	114.9	P8 A12	P8-S10 PolarHBondContact O-N 3.29Å; S10-A12 PolarHBondContact O-N 3.18Å
11	S	29.5	Very low	36.6	Very low	116 Å²	116	141.5 Å²	141.5	81%	0.811	82%	0.822	S	S	*	*			trans	-53.7	107.7	159.6	50.2	0	0	0	0	112.1
12	A	34.4	Very low	36.3	Very low	95 Å²	95	136.1 Å²	136.1	79%	0.785	80%	0.799	S	S	*	*			trans	-100.2	88.8	156.3	0	0	0	0	0	108.1	S10 R14	S10-A12 PolarHBondContact O-N 3.18Å; A12-R14 PolarHBondContact O-N 2.85Å; A12-R14 VanDerWaalsContact O-N 3.16Å
13	S	29	Very low	36.7	Very low	97 Å²	97	137.5 Å²	137.5	68%	0.678	79%	0.791	S	S	*	*			trans	-61.2	106.4	169.6	39.6	0	0	0	0	110.3
14	R	34.5	Very low	37.1	Very low	238 Å²	238	137.1 Å²	137.1	90%	0.898	79%	0.787	S	S	*	*			trans	-106.9	100.6	158	-79.8	-174.1	179.3	172.4	1.4	108.5	A12 L16	A12-R14 PolarHBondContact O-N 2.85Å; A12-R14 VanDerWaalsContact O-N 3.16Å; R14-L16 PolarHBondContact O-N 3.21Å
15	F	33.4	Very low	37.6	Very low	199 Å²	199	129.4 Å²	129.4	87%	0.873	76%	0.759	S	S	*	*	P	Polyproline II helix	trans	-50	123.3	166.2	-79.7	-96.7	0	0	0	110.2
16	L	37.8	Very low	38.6	Very low	158 Å²	158	126.1 Å²	126.1	83%	0.827	74%	0.739	S	S	*	*	P	Polyproline II helix	trans	-97.4	129.3	166.3	-80.9	162.3	0	0	0	108.6	R14	R14-L16 PolarHBondContact O-N 3.21Å
17	P	34.7	Very low	39.5	Very low	114 Å²	114	123.9 Å²	123.9	74%	0.74	72%	0.722	S	S	*	*	P	Polyproline II helix	trans	-75.7	142.5	168	31.9	-29.6	0	0	0	109.6	V19	P17-V19 PolarHBondContact O-N 3.19Å
18	S	34.7	Very low	40.7	Very low	109 Å²	109	122.9 Å²	122.9	76%	0.762	71%	0.713	S	S	*	*	P	Polyproline II helix	trans	-46.4	128.2	178.2	48.7	0	0	0	0	113.6	V20	S18-V20 PolarHBondContact O-N 3.26Å
19	V	37.4	Very low	42.3	Very low	125 Å²	125	118 Å²	118	76%	0.758	69%	0.687	S	S	*	*			trans	-67.7	108.2	176.9	177.9	0	0	0	0	110.2	P17	P17-V19 PolarHBondContact O-N 3.19Å
20	V	34.3	Very low	43.8	Very low	123 Å²	123	113 Å²	113	75%	0.745	66%	0.659	S	S	*	*			trans	-88.4	134.6	161.1	178.2	0	0	0	0	107.6	S18 D22	S18-V20 PolarHBondContact O-N 3.26Å; V20-D22 PolarHBondContact O-N 3.25Å
21	Q	30.9	Very low	46	Very low	173 Å²	173	114.2 Å²	114.2	81%	0.808	65%	0.653	S	S	*	*			trans	-62.4	120.2	-176.8	-68	165.4	-24.3	0	0	111.4
22	D	34.9	Very low	48.4	Very low	135 Å²	135	114.1 Å²	114.1	72%	0.722	64%	0.643	S	S	*	*			trans	-170.2	146.5	156.9	-97	-25.5	0	0	0	108.9	V20 G24 S25	V20-D22 PolarHBondContact O-N 3.25Å; D22-G24 PolarHBondContact O-N 3.29Å; D22-S25 WeakPolarHBondContact O-CB 3.43Å; D22-S25 PolarHBondContact O-N 2.92Å; D22-S25 PolarHBondContact O-OG 3.16Å
23	D	46.8	Very low	50.4	Low	136 Å²	136	110.1 Å²	110.1	73%	0.727	61%	0.61	S	S	*	*	T	Hydrogen-bonded Turn	trans	-51.7	-18.5	-166.8	-71.1	-36.8	0	0	0	115.9	S25 E26	D23-S25 VanDerWaalsContact C-N 3.27Å; D23-S25 PolarHBondContact O-N 3.39Å; D23-E26 PolarHBondContact O-N 2.83Å
24	G	45.7	Very low	53	Low	55 Å²	55	108.5 Å²	108.5	57%	0.567	59%	0.591	S	S	*	*	H	α-helix	trans	-65.3	-28.1	172.5	0	0	0	0	0	113.9	D22 E26 A28	D22-G24 PolarHBondContact O-N 3.29Å; G24-E26 VanDerWaalsContact C-N 3.34Å; G24-E26 PolarHBondContact O-N 3.06Å; G24-A28 PolarHBondContact O-N 3.43Å
25	S	55.7	Low	55.5	Low	50 Å²	50	99.9 Å²	99.9	35%	0.35	57%	0.57	S	S	.	*	H	α-helix	trans	-67.7	-31.2	178.7	61.5	0	0	0	0	112.8	D22 D23 A28 G29	D22-S25 WeakPolarHBondContact O-CB 3.43Å; D22-S25 PolarHBondContact O-N 2.92Å; D22-S25 PolarHBondContact O-OG 3.16Å; D23-S25 VanDerWaalsContact C-N 3.27Å; D23-S25 PolarHBondContact O-N 3.39Å; S25-A28 PolarHBondContact O-N 3.13Å; S25-G29 PolarHBondContact O-N 3.41Å
26	E	57.4	Low	57.9	Low	92 Å²	92	92 Å²	92	43%	0.43	54%	0.538	S	S	.	.	H	α-helix	trans	-68.7	-41.6	179.6	-63.6	-154	142.9	0	0	111.4	D23 G24 G29 M30 K89	D23-E26 PolarHBondContact O-N 2.83Å; G24-E26 VanDerWaalsContact C-N 3.34Å; G24-E26 PolarHBondContact O-N 3.06Å; E26-G29 PolarHBondContact O-N 2.82Å; E26-M30 WeakPolarHBondContact O-CB 3.34Å; E26-M30 PolarHBondContact O-N 2.92Å; E26-K89 IonicContact OE1-NZ 2.78Å; E26-K89 PolarHBondContact OE1-NZ 3.29Å
27	N	67.6	Low	60.1	Low	97 Å²	97	85 Å²	85	52%	0.519	50%	0.502	S	S	.	.	H	α-helix	trans	-66.8	-42.2	175.5	-71.3	-24.4	0	0	0	111.5	G29 M30 H31	N27-G29 VanDerWaalsContact C-N 3.34Å; N27-G29 PolarHBondContact O-N 3.3Å; N27-M30 PolarHBondContact O-N 2.92Å; N27-H31 PolarHBondContact O-CD2 2.88Å; N27-H31 PolarHBondContact O-N 3.25Å
28	A	66.7	Low	62.6	Low	61 Å²	61	81.9 Å²	81.9	50%	0.504	48%	0.476	S	S	.	.	H	α-helix	trans	-60.9	-43.1	175.6	0	0	0	0	0	111.7	G24 S25 M30 H31 L32	G24-A28 PolarHBondContact O-N 3.43Å; S25-A28 PolarHBondContact O-N 3.13Å; A28-M30 VanDerWaalsContact C-N 3.32Å; A28-M30 PolarHBondContact O-N 3.32Å; A28-H31 PolarHBondContact O-N 3.04Å; A28-L32 PolarHBondContact O-N 3.44Å
29	G	69.9	Low	65	Low	26 Å²	26	82.6 Å²	82.6	27%	0.268	47%	0.468	S	S	.	.	H	α-helix	trans	-61.2	-38.5	173.9	0	0	0	0	0	112.7	S25 E26 N27 L32 A33	S25-G29 PolarHBondContact O-N 3.41Å; E26-G29 PolarHBondContact O-N 2.82Å; N27-G29 VanDerWaalsContact C-N 3.34Å; N27-G29 PolarHBondContact O-N 3.3Å; G29-L32 PolarHBondContact O-N 3.41Å; G29-A33 VanDerWaalsContact O-CB 3.27Å; G29-A33 WeakPolarHBondContact O-CB 3.07Å; G29-A33 PolarHBondContact O-N 3.05Å
30	M	70.8	Confident	67.3	Low	69 Å²	69	76.7 Å²	76.7	34%	0.34	43%	0.432	S	S	.	.	H	α-helix	trans	-68.3	-40.4	177.4	-166	167	68.3	0	0	112.5	E26 N27 A28 A33 K34 V96	E26-M30 WeakPolarHBondContact O-CB 3.34Å; E26-M30 PolarHBondContact O-N 2.92Å; N27-M30 PolarHBondContact O-N 2.92Å; A28-M30 VanDerWaalsContact C-N 3.32Å; A28-M30 PolarHBondContact O-N 3.32Å; M30-A33 PolarHBondContact O-N 2.9Å; M30-K34 WeakPolarHBondContact O-CB 3.34Å; M30-K34 PolarHBondContact O-N 3.43Å; M30-V96 HydrophobicContact CG-CG2 3.72Å; M30-V96 HydrophobicContact SD-CG2 3.64Å
31	H	78.9	Confident	69.7	Low	130 Å²	130	71 Å²	71	60%	0.602	40%	0.397	S	S	*	.	H	α-helix	trans	-65.5	-43	174.7	-80.6	-71.4	0	0	0	112.3	N27 A28 K34 A35	N27-H31 PolarHBondContact O-CD2 2.88Å; N27-H31 PolarHBondContact O-N 3.25Å; A28-H31 PolarHBondContact O-N 3.04Å; H31-K34 WeakPolarHBondContact O-CB 3.46Å; H31-K34 PolarHBondContact O-N 3Å; H31-A35 PolarHBondContact O-N 3.27Å; H31-A35 VanDerWaalsContact O-N 3.07Å
32	L	80.1	Confident	72.2	Confident	114 Å²	114	68.7 Å²	68.7	60%	0.597	38%	0.381	S	S	*	.	H	α-helix	trans	-61.3	-47.8	175.3	-176.3	65.3	0	0	0	110.6	A28 G29 K34 A35 T36	A28-L32 PolarHBondContact O-N 3.44Å; G29-L32 PolarHBondContact O-N 3.41Å; L32-K34 VanDerWaalsContact C-N 3.28Å; L32-K34 PolarHBondContact O-N 3.08Å; L32-A35 PolarHBondContact O-N 3.36Å; L32-A35 VanDerWaalsContact O-N 3.14Å; L32-T36 HydrophobicContact CD1-CG2 4.43Å; L32-T36 HydrophobicContact CG-CG2 4.44Å; L32-T36 WeakPolarHBondContact O-CG2 3.47Å; L32-T36 PolarHBondContact O-N 3.45Å; L32-T36 PolarHBondContact O-OG1 3.37Å; L32-T36 VanDerWaalsContact O-OG1 3.1Å
33	A	77.4	Confident	74.4	Confident	11 Å²	11	64.4 Å²	64.4	9%	0.091	36%	0.361	C	S	.	.	H	α-helix	trans	-59.4	-38.2	177.4	0	0	0	0	0	112.5	G29 M30 T36 F37 F93	G29-A33 VanDerWaalsContact O-CB 3.27Å; G29-A33 WeakPolarHBondContact O-CB 3.07Å; G29-A33 PolarHBondContact O-N 3.05Å; M30-A33 PolarHBondContact O-N 2.9Å; A33-T36 VanDerWaalsContact CA-OG1 3.27Å; A33-T36 WeakPolarHBondContact CA-OG1 3.11Å; A33-T36 PolarHBondContact O-OG1 3.29Å; A33-F37 WeakPolarHBondContact O-CB 3.35Å; A33-F37 PolarHBondContact O-N 3.4Å; A33-F93 HydrophobicContact CB-CD1 4.04Å; A33-F93 HydrophobicContact CB-CE1 3.63Å
34	K	84.5	Confident	75.9	Confident	63 Å²	63	59 Å²	59	27%	0.274	33%	0.332	S	S	.	.	H	α-helix	trans	-61.2	-47.3	175.1	-166.7	-174.1	178	-179.6	0	111.2	M30 H31 L32 F37 K38 V96 V100 E103	M30-K34 WeakPolarHBondContact O-CB 3.34Å; M30-K34 PolarHBondContact O-N 3.43Å; H31-K34 WeakPolarHBondContact O-CB 3.46Å; H31-K34 PolarHBondContact O-N 3Å; L32-K34 VanDerWaalsContact C-N 3.28Å; L32-K34 PolarHBondContact O-N 3.08Å; K34-F37 PolarHBondContact O-N 3.26Å; K34-K38 WeakPolarHBondContact O-CB 3.38Å; K34-K38 PolarHBondContact O-N 2.79Å; K34-V96 HydrophobicContact CB-CG1 3.9Å; K34-V96 HydrophobicContact CG-CG1 3.97Å; K34-V100 HydrophobicContact CB-CG2 4.36Å; K34-V100 HydrophobicContact CD-CG2 4.18Å; K34-V100 HydrophobicContact CG-CG2 3.27Å; K34-E103 VanDerWaalsContact CE-OE1 3.29Å; K34-E103 WeakPolarHBondContact CE-OE1 3.37Å; K34-E103 IonicContact NZ-OE1 3.96Å; K34-E103 PolarHBondContact NZ-OE1 3.28Å; K34-E103 IonicContact NZ-OE2 3.49Å
35	A	85.2	Confident	77.3	Confident	57 Å²	57	60 Å²	60	47%	0.471	32%	0.324	S	S	.	.	H	α-helix	trans	-66.4	-46.8	-179.8	0	0	0	0	0	111.9	H31 L32 F37 K38 E39	H31-A35 PolarHBondContact O-N 3.27Å; H31-A35 VanDerWaalsContact O-N 3.07Å; L32-A35 PolarHBondContact O-N 3.36Å; L32-A35 VanDerWaalsContact O-N 3.14Å; A35-F37 VanDerWaalsContact C-N 3.3Å; A35-F37 PolarHBondContact O-N 2.68Å; A35-K38 PolarHBondContact O-N 2.94Å; A35-E39 PolarHBondContact O-N 2.87Å
36	T	84.1	Confident	77.8	Confident	33 Å²	33	64.9 Å²	64.9	20%	0.202	34%	0.341	C	S	.	.	H	α-helix	trans	-62.6	-38	177.8	52.8	0	0	0	0	111.7	L32 A33 E39 F40 T82	L32-T36 HydrophobicContact CD1-CG2 4.43Å; L32-T36 HydrophobicContact CG-CG2 4.44Å; L32-T36 WeakPolarHBondContact O-CG2 3.47Å; L32-T36 PolarHBondContact O-N 3.45Å; L32-T36 PolarHBondContact O-OG1 3.37Å; L32-T36 VanDerWaalsContact O-OG1 3.1Å; A33-T36 VanDerWaalsContact CA-OG1 3.27Å; A33-T36 WeakPolarHBondContact CA-OG1 3.11Å; A33-T36 PolarHBondContact O-OG1 3.29Å; T36-E39 PolarHBondContact O-N 3.18Å; T36-F40 WeakPolarHBondContact O-CB 3.42Å; T36-F40 PolarHBondContact O-N 3.48Å; T36-T82 VanDerWaalsContact OG1-CG2 3.27Å; T36-T82 WeakPolarHBondContact OG1-CG2 3.32Å
37	F	83.7	Confident	78	Confident	13 Å²	13	65 Å²	65	6%	0.057	37%	0.366	C	S	.	.	H	α-helix	trans	-71.9	-36.3	178.2	-172.1	-109.6	0	0	0	112.1	A33 K34 A35 E39 F40 L41 L75 M97 V100	A33-F37 WeakPolarHBondContact O-CB 3.35Å; A33-F37 PolarHBondContact O-N 3.4Å; K34-F37 PolarHBondContact O-N 3.26Å; A35-F37 VanDerWaalsContact C-N 3.3Å; A35-F37 PolarHBondContact O-N 2.68Å; F37-E39 VanDerWaalsContact C-N 3.29Å; F37-E39 PolarHBondContact O-N 3.42Å; F37-F40 AromaticContact CD2-CD1 3.89Å; F37-F40 HydrophobicContact CD2-CD1 3.89Å; F37-F40 AromaticContact CE2-CD1 3.72Å; F37-F40 HydrophobicContact CE2-CD1 3.72Å; F37-F40 HydrophobicContact CE2-CE1 4.09Å; F37-F40 WeakPolarHBondContact O-CB 3.39Å; F37-F40 PolarHBondContact O-N 3.01Å; F37-L41 HydrophobicContact CD1-CD1 4.23Å; F37-L41 HydrophobicContact CE1-CD1 3.66Å; F37-L41 HydrophobicContact CE1-CD2 4.49Å; F37-L41 HydrophobicContact CE1-CG 4.05Å; F37-L41 HydrophobicContact CE2-CD2 4.49Å; F37-L41 HydrophobicContact CE2-CG 4.48Å; F37-L41 HydrophobicContact CZ-CD1 4.04Å; F37-L41 HydrophobicContact CZ-CD2 4.03Å; F37-L41 HydrophobicContact CZ-CG 4.03Å; F37-L41 PolarHBondContact O-N 3.3Å; F37-L75 HydrophobicContact CD2-CD1 4.32Å; F37-M97 HydrophobicContact CD1-CB 4.14Å; F37-M97 HydrophobicContact CD1-CG 3.98Å; F37-M97 HydrophobicContact CD2-CE 4.02Å; F37-M97 HydrophobicContact CD2-CG 4.32Å; F37-M97 HydrophobicContact CE1-CB 3.71Å; F37-M97 HydrophobicContact CE1-CE 4.2Å; F37-M97 HydrophobicContact CE1-CG 3.89Å; F37-M97 HydrophobicContact CE2-CE 3.27Å; F37-M97 HydrophobicContact CE2-CG 4.25Å; F37-M97 HydrophobicContact CG-CG 4.2Å; F37-M97 HydrophobicContact CZ-CB 4.07Å; F37-M97 HydrophobicContact CZ-CE 3.38Å; F37-M97 HydrophobicContact CZ-CG 4.04Å; F37-V100 HydrophobicContact CD1-CB 3.77Å; F37-V100 HydrophobicContact CD1-CG1 3.67Å; F37-V100 HydrophobicContact CD1-CG2 4.34Å; F37-V100 HydrophobicContact CE1-CB 4.27Å; F37-V100 HydrophobicContact CE1-CG1 4.27Å
38	K	87.1	Confident	77.8	Confident	48 Å²	48	62 Å²	62	21%	0.209	36%	0.358	C	S	.	.	H	α-helix	trans	-61.8	-41.4	172.4	-174.6	168.4	-176.6	160.7	0	111.1	K34 A35 R42 V100 E103 V104 E107	K34-K38 WeakPolarHBondContact O-CB 3.38Å; K34-K38 PolarHBondContact O-N 2.79Å; A35-K38 PolarHBondContact O-N 2.94Å; K38-R42 WeakPolarHBondContact O-CG 3.44Å; K38-R42 PolarHBondContact O-N 2.88Å; K38-V100 HydrophobicContact CB-CG1 3.68Å; K38-V100 HydrophobicContact CG-CG1 4.24Å; K38-E103 IonicContact NZ-OE2 3.73Å; K38-V104 HydrophobicContact CG-CG2 4.08Å; K38-E107 VanDerWaalsContact CE-OE1 3.29Å; K38-E107 WeakPolarHBondContact CE-OE1 3.45Å; K38-E107 IonicContact NZ-OE1 3.95Å; K38-E107 PolarHBondContact NZ-OE1 3.49Å
39	E	85.5	Confident	77.6	Confident	124 Å²	124	69 Å²	69	58%	0.579	38%	0.378	S	S	*	.	H	α-helix	trans	-69.3	-41.4	176.5	-167	145.1	-167.9	0	0	111.9	A35 T36 F37 L41 R42 S43 F78	A35-E39 PolarHBondContact O-N 2.87Å; T36-E39 PolarHBondContact O-N 3.18Å; F37-E39 VanDerWaalsContact C-N 3.29Å; F37-E39 PolarHBondContact O-N 3.42Å; E39-L41 PolarHBondContact O-N 2.92Å; E39-R42 CarbonylContact O-C 3.58Å; E39-R42 PolarHBondContact O-N 3.18Å; E39-S43 WeakPolarHBondContact O-CB 3.2Å; E39-S43 PolarHBondContact O-N 3.39Å; E39-S43 PolarHBondContact O-OG 3.28Å; E39-F78 HydrophobicContact CG-CZ 4.21Å
40	F	86.5	Confident	77.6	Confident	0 Å²	0	72.1 Å²	72.1	0%	0	39%	0.392	C	S	.	.	H	α-helix	trans	-53.6	-49.5	173.6	169.8	-105.6	0	0	0	112.2	T36 F37 R42 S43 F44 Y53 V70 D74 L75 F78	T36-F40 WeakPolarHBondContact O-CB 3.42Å; T36-F40 PolarHBondContact O-N 3.48Å; F37-F40 AromaticContact CD2-CD1 3.89Å; F37-F40 HydrophobicContact CD2-CD1 3.89Å; F37-F40 AromaticContact CE2-CD1 3.72Å; F37-F40 HydrophobicContact CE2-CD1 3.72Å; F37-F40 HydrophobicContact CE2-CE1 4.09Å; F37-F40 WeakPolarHBondContact O-CB 3.39Å; F37-F40 PolarHBondContact O-N 3.01Å; F40-R42 PolarHBondContact O-N 3.28Å; F40-S43 PolarHBondContact O-N 3.33Å; F40-F44 HydrophobicContact CD2-CB 4.34Å; F40-F44 HydrophobicContact CD2-CD2 4.07Å; F40-F44 HydrophobicContact CD2-CG 4.49Å; F40-F44 HydrophobicContact CE2-CB 4.26Å; F40-F44 AromaticContact CE2-CD2 3.55Å; F40-F44 HydrophobicContact CE2-CD2 3.55Å; F40-F44 HydrophobicContact CE2-CE2 4.11Å; F40-F44 AromaticContact CE2-CG 3.99Å; F40-F44 HydrophobicContact CE2-CG 3.99Å; F40-F44 HydrophobicContact CZ-CD2 4.44Å; F40-F44 VanDerWaalsContact O-CB 3.24Å; F40-F44 WeakPolarHBondContact O-CB 3.38Å; F40-F44 PolarHBondContact O-N 3.36Å; F40-F44 VanDerWaalsContact O-N 3.17Å; F40-Y53 HydrophobicContact CE1-CD2 4.26Å; F40-Y53 AromaticContact CE1-CE2 3.94Å; F40-Y53 HydrophobicContact CE1-CE2 3.94Å; F40-Y53 HydrophobicContact CE2-CE2 4.28Å; F40-Y53 HydrophobicContact CZ-CD2 4.19Å; F40-Y53 AromaticContact CZ-CE2 3.52Å; F40-Y53 HydrophobicContact CZ-CE2 3.52Å; F40-V70 HydrophobicContact CE1-CG1 4.09Å; F40-V70 HydrophobicContact CZ-CG1 4.48Å; F40-D74 HydrophobicContact CE2-CB 4.14Å; F40-D74 HydrophobicContact CZ-CB 3.99Å; F40-L75 HydrophobicContact CD1-CD1 4.13Å; F40-L75 HydrophobicContact CD2-CD1 4.3Å; F40-L75 HydrophobicContact CE1-CD1 4.25Å; F40-L75 HydrophobicContact CE2-CD1 4.4Å; F40-L75 HydrophobicContact CG-CD1 4.15Å; F40-L75 HydrophobicContact CZ-CB 4.4Å; F40-L75 HydrophobicContact CZ-CD1 4.37Å; F40-F78 HydrophobicContact CB-CD1 3.79Å; F40-F78 HydrophobicContact CB-CE1 3.91Å; F40-F78 HydrophobicContact CB-CG 4.43Å; F40-F78 HydrophobicContact CD2-CB 3.66Å; F40-F78 AromaticContact CD2-CD1 3.88Å; F40-F78 HydrophobicContact CD2-CD1 3.88Å; F40-F78 HydrophobicContact CD2-CD2 4.46Å; F40-F78 AromaticContact CD2-CG 3.75Å; F40-F78 HydrophobicContact CD2-CG 3.75Å; F40-F78 HydrophobicContact CE2-CB 4.1Å; F40-F78 HydrophobicContact CG-CD1 4.31Å
41	L	84.2	Confident	77.6	Confident	3 Å²	3	71.6 Å²	71.6	2%	0.016	39%	0.388	C	S	.	.	H	α-helix	trans	-63.2	-25.2	178.3	-69.5	-179.5	0	0	0	113.3	F37 E39 Y53 V100 V104	F37-L41 HydrophobicContact CD1-CD1 4.23Å; F37-L41 HydrophobicContact CE1-CD1 3.66Å; F37-L41 HydrophobicContact CE1-CD2 4.49Å; F37-L41 HydrophobicContact CE1-CG 4.05Å; F37-L41 HydrophobicContact CE2-CD2 4.49Å; F37-L41 HydrophobicContact CE2-CG 4.48Å; F37-L41 HydrophobicContact CZ-CD1 4.04Å; F37-L41 HydrophobicContact CZ-CD2 4.03Å; F37-L41 HydrophobicContact CZ-CG 4.03Å; F37-L41 PolarHBondContact O-N 3.3Å; E39-L41 PolarHBondContact O-N 2.92Å; L41-Y53 HydrophobicContact CD2-CG 4.25Å; L41-V100 HydrophobicContact CD1-CG1 4.22Å; L41-V104 HydrophobicContact CB-CG1 4.43Å; L41-V104 HydrophobicContact CB-CG2 4.46Å; L41-V104 HydrophobicContact CD1-CB 4.41Å; L41-V104 HydrophobicContact CD1-CG2 4.18Å
42	R	82.9	Confident	77.7	Confident	126 Å²	126	70.1 Å²	70.1	48%	0.475	38%	0.381	S	S	.	.	H	α-helix	trans	-89.4	-40.8	180	-74	177.6	171.4	-170.8	0	113.3	K38 E39 F40 H51 E107	K38-R42 WeakPolarHBondContact O-CG 3.44Å; K38-R42 PolarHBondContact O-N 2.88Å; E39-R42 CarbonylContact O-C 3.58Å; E39-R42 PolarHBondContact O-N 3.18Å; F40-R42 PolarHBondContact O-N 3.28Å; R42-H51 PolarHBondContact O-CE1 3.04Å; R42-H51 VanDerWaalsContact O-CE1 3.28Å; R42-H51 PolarHBondContact O-ND1 3.36Å; R42-E107 IonicContact CZ-OE2 3.48Å; R42-E107 IonicContact NE-OE2 3.51Å; R42-E107 IonicContact NH2-OE1 3.06Å; R42-E107 PolarHBondContact NH2-OE1 2.95Å; R42-E107 IonicContact NH2-OE2 2.66Å; R42-E107 PolarHBondContact NH2-OE2 3.46Å
43	S	81	Confident	77.9	Confident	44 Å²	44	64.8 Å²	64.8	31%	0.308	35%	0.352	S	S	.	.	H	α-helix	trans	-98.2	-15.7	-166.5	67.5	0	0	0	0	113.9	E39 F40 N45 F78	E39-S43 WeakPolarHBondContact O-CB 3.2Å; E39-S43 PolarHBondContact O-N 3.39Å; E39-S43 PolarHBondContact O-OG 3.28Å; F40-S43 PolarHBondContact O-N 3.33Å; S43-N45 PolarHBondContact O-N 3.05Å; S43-N45 VanDerWaalsContact O-N 3.15Å; S43-F78 WeakPolarHBondContact OG-CE2 3.38Å; S43-F78 WeakPolarHBondContact OG-CZ 3.34Å
44	F	78.3	Confident	78.2	Confident	24 Å²	24	70.2 Å²	70.2	11%	0.105	37%	0.371	C	S	.	.			trans	-65.7	117.8	-173.4	-167.4	-97.1	0	0	0	112.5	F40 Y53 D74	F40-F44 HydrophobicContact CD2-CB 4.34Å; F40-F44 HydrophobicContact CD2-CD2 4.07Å; F40-F44 HydrophobicContact CD2-CG 4.49Å; F40-F44 HydrophobicContact CE2-CB 4.26Å; F40-F44 AromaticContact CE2-CD2 3.55Å; F40-F44 HydrophobicContact CE2-CD2 3.55Å; F40-F44 HydrophobicContact CE2-CE2 4.11Å; F40-F44 AromaticContact CE2-CG 3.99Å; F40-F44 HydrophobicContact CE2-CG 3.99Å; F40-F44 HydrophobicContact CZ-CD2 4.44Å; F40-F44 VanDerWaalsContact O-CB 3.24Å; F40-F44 WeakPolarHBondContact O-CB 3.38Å; F40-F44 PolarHBondContact O-N 3.36Å; F40-F44 VanDerWaalsContact O-N 3.17Å; F44-Y53 HydrophobicContact CB-CD2 3.99Å; F44-Y53 HydrophobicContact CB-CE2 4.29Å; F44-Y53 AromaticContact CD1-CD2 3.81Å; F44-Y53 HydrophobicContact CD1-CD2 3.81Å; F44-Y53 AromaticContact CD1-CE2 3.5Å; F44-Y53 HydrophobicContact CD1-CE2 3.5Å; F44-Y53 AromaticContact CE1-CE2 4Å; F44-Y53 HydrophobicContact CE1-CE2 4Å; F44-Y53 HydrophobicContact CG-CD2 4.11Å; F44-Y53 AromaticContact CG-CE2 3.93Å; F44-Y53 HydrophobicContact CG-CE2 3.93Å; F44-D74 HydrophobicContact CD2-CB 4.41Å; F44-D74 HydrophobicContact CE1-CB 3.92Å; F44-D74 WeakPolarHBondContact CE1-OD2 3.46Å; F44-D74 HydrophobicContact CE2-CB 3.63Å; F44-D74 HydrophobicContact CZ-CB 3.35Å; F44-D74 WeakPolarHBondContact CZ-OD1 3.36Å
45	N	75.3	Confident	78.2	Confident	75 Å²	75	71.1 Å²	71.1	40%	0.401	38%	0.378	S	S	.	.	B	Isolated β-bridge	trans	-128	129.4	-178	-69.1	-20	0	0	0	109.5	S43 H51	S43-N45 PolarHBondContact O-N 3.05Å; S43-N45 VanDerWaalsContact O-N 3.15Å; N45-H51 PolarHBondContact OD1-CE1 3.33Å; N45-H51 PolarHBondContact OD1-ND1 3.18Å
46	H	67.4	Low	78.2	Confident	152 Å²	152	69.7 Å²	69.7	70%	0.704	36%	0.362	S	S	*	.	S	Bend	trans	-98.2	91.8	172.5	-162.9	81.4	0	0	0	109.3	G48	H46-G48 PolarHBondContact O-N 3.18Å
47	G	61.8	Low	78.3	Confident	94 Å²	94	68.1 Å²	68.1	97%	0.969	35%	0.352	S	S	*	.	S	Bend	trans	56.8	10	170.1	0	0	0	0	0	117.3
48	G	63.2	Low	78.4	Confident	34 Å²	34	75.2 Å²	75.2	35%	0.351	38%	0.379	S	S	.	.	S	Bend	trans	-158.9	174.9	-178.1	0	0	0	0	0	111.8	H46 T50	H46-G48 PolarHBondContact O-N 3.18Å; G48-T50 PolarHBondContact O-N 3.15Å; G48-T50 VanDerWaalsContact O-N 3.14Å
49	F	61.2	Low	78.4	Confident	210 Å²	210	76 Å²	76	92%	0.921	39%	0.39	S	S	*	.	S	Bend	trans	-73.6	5.1	-176.7	-66.2	-79.2	0	0	0	114.9
50	T	70	Confident	78.4	Confident	91 Å²	91	71.8 Å²	71.8	56%	0.558	37%	0.37	S	S	*	.			trans	-93.2	106.6	-176.2	46.2	0	0	0	0	111.1	G48 F52	G48-T50 PolarHBondContact O-N 3.15Å; G48-T50 VanDerWaalsContact O-N 3.14Å; T50-F52 PolarHBondContact O-N 3.02Å
51	H	71.8	Confident	78.3	Confident	57 Å²	57	72.8 Å²	72.8	26%	0.264	38%	0.376	S	S	.	.	B	Isolated β-bridge	trans	-67.2	99.9	170.1	-64.2	-71.1	0	0	0	110.6	R42 N45 R54 N55	R42-H51 PolarHBondContact O-CE1 3.04Å; R42-H51 VanDerWaalsContact O-CE1 3.28Å; R42-H51 PolarHBondContact O-ND1 3.36Å; N45-H51 PolarHBondContact OD1-CE1 3.33Å; N45-H51 PolarHBondContact OD1-ND1 3.18Å; H51-R54 HydrophobicContact CB-CB 3.75Å; H51-N55 WeakPolarHBondContact O-CB 3.33Å; H51-N55 VanDerWaalsContact O-CG 3.27Å; H51-N55 PolarHBondContact O-N 3.16Å; H51-N55 PolarHBondContact O-ND2 3.4Å
52	F	80.5	Confident	78.3	Confident	100 Å²	100	77.5 Å²	77.5	44%	0.439	41%	0.41	S	S	.	.	H	α-helix	trans	-60.2	-54.6	-173.3	-177.8	-98.5	0	0	0	112.3	T50 R54 N55 Q56	T50-F52 PolarHBondContact O-N 3.02Å; F52-R54 PolarHBondContact O-N 3.18Å; F52-N55 PolarHBondContact O-N 3.22Å; F52-Q56 WeakPolarHBondContact O-CB 3.24Å; F52-Q56 PolarHBondContact O-N 2.71Å
53	Y	83.9	Confident	78.5	Confident	1 Å²	1	76.6 Å²	76.6	0%	0.004	41%	0.413	C	S	.	.	H	α-helix	trans	-65.8	-38.4	-177.3	-68.2	-64.8	0	0	0	112.9	F40 L41 F44 N55 Q56 I57 I68 D69 V70 H71 D74	F40-Y53 HydrophobicContact CE1-CD2 4.26Å; F40-Y53 AromaticContact CE1-CE2 3.94Å; F40-Y53 HydrophobicContact CE1-CE2 3.94Å; F40-Y53 HydrophobicContact CE2-CE2 4.28Å; F40-Y53 HydrophobicContact CZ-CD2 4.19Å; F40-Y53 AromaticContact CZ-CE2 3.52Å; F40-Y53 HydrophobicContact CZ-CE2 3.52Å; L41-Y53 HydrophobicContact CD2-CG 4.25Å; F44-Y53 HydrophobicContact CB-CD2 3.99Å; F44-Y53 HydrophobicContact CB-CE2 4.29Å; F44-Y53 AromaticContact CD1-CD2 3.81Å; F44-Y53 HydrophobicContact CD1-CD2 3.81Å; F44-Y53 AromaticContact CD1-CE2 3.5Å; F44-Y53 HydrophobicContact CD1-CE2 3.5Å; F44-Y53 AromaticContact CE1-CE2 4Å; F44-Y53 HydrophobicContact CE1-CE2 4Å; F44-Y53 HydrophobicContact CG-CD2 4.11Å; F44-Y53 AromaticContact CG-CE2 3.93Å; F44-Y53 HydrophobicContact CG-CE2 3.93Å; Y53-N55 PolarHBondContact O-N 2.71Å; Y53-Q56 PolarHBondContact O-N 3.37Å; Y53-I57 WeakPolarHBondContact O-CB 3.38Å; Y53-I57 VanDerWaalsContact O-CG1 3.25Å; Y53-I57 WeakPolarHBondContact O-CG1 3.47Å; Y53-I57 PolarHBondContact O-N 3.3Å; Y53-I68 HydrophobicContact CD1-CG2 4.32Å; Y53-D69 WeakPolarHBondContact CE1-O 3.38Å; Y53-V70 HydrophobicContact CE1-CB 4.5Å; Y53-V70 HydrophobicContact CE1-CG2 4.33Å; Y53-H71 PolarHBondContact OH-N 3.04Å; Y53-H71 VanDerWaalsContact OH-N 3.14Å; Y53-D74 HydrophobicContact CE2-CB 4.39Å; Y53-D74 PolarHBondContact OH-OD2 3.48Å
54	R	83.9	Confident	78.6	Confident	126 Å²	126	76 Å²	76	48%	0.475	42%	0.415	S	S	.	.	H	α-helix	trans	-62.3	-44.4	175.5	-173.4	177.6	178.6	-179.1	-0.8	111.7	H51 F52 Q56 R58 I108	H51-R54 HydrophobicContact CB-CB 3.75Å; F52-R54 PolarHBondContact O-N 3.18Å; R54-Q56 VanDerWaalsContact C-N 3.35Å; R54-R58 WeakPolarHBondContact O-CB 3.33Å; R54-R58 PolarHBondContact O-N 3.43Å; R54-I108 HydrophobicContact CB-CD1 4.49Å; R54-I108 HydrophobicContact CG-CD1 3.68Å; R54-I108 HydrophobicContact CG-CG1 4.12Å
55	N	85.1	Confident	78.9	Confident	81 Å²	81	78 Å²	78	43%	0.433	42%	0.424	S	S	.	.	H	α-helix	trans	-67.7	-37.4	177.2	-72.1	-19.5	0	0	0	111.5	H51 F52 Y53 R58 S59	H51-N55 WeakPolarHBondContact O-CB 3.33Å; H51-N55 VanDerWaalsContact O-CG 3.27Å; H51-N55 PolarHBondContact O-N 3.16Å; H51-N55 PolarHBondContact O-ND2 3.4Å; F52-N55 PolarHBondContact O-N 3.22Å; Y53-N55 PolarHBondContact O-N 2.71Å; N55-R58 PolarHBondContact O-N 2.9Å; N55-S59 VanDerWaalsContact O-CB 3.26Å; N55-S59 WeakPolarHBondContact O-CB 3.24Å; N55-S59 PolarHBondContact O-N 2.94Å
56	Q	85.6	Confident	79.4	Confident	28 Å²	28	77.3 Å²	77.3	13%	0.131	42%	0.416	C	S	.	.	H	α-helix	trans	-63	-50.1	175.3	-170	-175.9	27.1	0	0	111.1	F52 Y53 R54 R58 S59 K60 D69	F52-Q56 WeakPolarHBondContact O-CB 3.24Å; F52-Q56 PolarHBondContact O-N 2.71Å; Y53-Q56 PolarHBondContact O-N 3.37Å; R54-Q56 VanDerWaalsContact C-N 3.35Å; Q56-R58 VanDerWaalsContact C-N 3.35Å; Q56-R58 PolarHBondContact O-N 2.92Å; Q56-S59 PolarHBondContact O-N 2.9Å; Q56-K60 HydrophobicContact CG-CG 4.29Å; Q56-K60 VanDerWaalsContact O-CB 3.25Å; Q56-K60 WeakPolarHBondContact O-CB 3.09Å; Q56-K60 WeakPolarHBondContact O-CG 3.42Å; Q56-K60 PolarHBondContact O-N 2.98Å; Q56-D69 PolarHBondContact NE2-OD2 3.39Å; Q56-D69 PolarHBondContact OE1-O 3.41Å
57	I	86.2	Confident	80.4	Confident	0 Å²	0	71.4 Å²	71.4	0%	0	39%	0.388	C	S	.	.	H	α-helix	trans	-56.7	-49.9	176	-68.8	166.8	0	0	0	110	Y53 S59 K60 C61 I68 V104 A105 I108 M122	Y53-I57 WeakPolarHBondContact O-CB 3.38Å; Y53-I57 VanDerWaalsContact O-CG1 3.25Å; Y53-I57 WeakPolarHBondContact O-CG1 3.47Å; Y53-I57 PolarHBondContact O-N 3.3Å; I57-S59 PolarHBondContact O-N 3.23Å; I57-K60 PolarHBondContact O-N 2.74Å; I57-C61 VanDerWaalsContact O-CB 3.28Å; I57-C61 WeakPolarHBondContact O-CB 3.36Å; I57-C61 PolarHBondContact O-N 2.95Å; I57-C61 PolarHBondContact O-SG 3Å; I57-I68 HydrophobicContact CD1-CD1 3.7Å; I57-I68 HydrophobicContact CG1-CD1 3.47Å; I57-I68 VanDerWaalsContact CG1-CD1 3.47Å; I57-I68 HydrophobicContact CG1-CG1 3.8Å; I57-V104 HydrophobicContact CD1-CG1 4.04Å; I57-A105 HydrophobicContact CG2-CB 3.66Å; I57-I108 HydrophobicContact CB-CD1 4.3Å; I57-I108 HydrophobicContact CD1-CD1 4.48Å; I57-I108 HydrophobicContact CG2-CD1 4Å; I57-M122 HydrophobicContact CG1-CE 4.49Å; I57-M122 HydrophobicContact CG2-CE 4.23Å
58	R	86	Confident	81.7	Confident	162 Å²	162	67 Å²	67	61%	0.611	34%	0.342	S	S	*	.	H	α-helix	trans	-57.6	-49.8	179.6	-174	179.5	-179.8	-179.1	1.4	111.8	R54 N55 Q56 S62 I108	R54-R58 WeakPolarHBondContact O-CB 3.33Å; R54-R58 PolarHBondContact O-N 3.43Å; N55-R58 PolarHBondContact O-N 2.9Å; Q56-R58 VanDerWaalsContact C-N 3.35Å; Q56-R58 PolarHBondContact O-N 2.92Å; R58-S62 PolarHBondContact O-N 3.2Å; R58-S62 PolarHBondContact O-OG 2.79Å; R58-S62 VanDerWaalsContact O-OG 3.05Å; R58-I108 HydrophobicContact CB-CG2 4.1Å; R58-I108 HydrophobicContact CG-CG2 4.32Å
59	S	86.5	Confident	82.9	Confident	63 Å²	63	66.6 Å²	66.6	44%	0.441	33%	0.332	S	S	.	.	H	α-helix	trans	-61.7	-47.4	-180	-176.3	0	0	0	0	111.6	N55 Q56 I57 S62 I63	N55-S59 VanDerWaalsContact O-CB 3.26Å; N55-S59 WeakPolarHBondContact O-CB 3.24Å; N55-S59 PolarHBondContact O-N 2.94Å; Q56-S59 PolarHBondContact O-N 2.9Å; I57-S59 PolarHBondContact O-N 3.23Å; S59-S62 PolarHBondContact O-N 3.41Å; S59-I63 VanDerWaalsContact O-CG1 3.3Å; S59-I63 WeakPolarHBondContact O-CG1 3.31Å; S59-I63 PolarHBondContact O-N 3.12Å
60	K	85.8	Confident	84.2	Confident	36 Å²	36	56.8 Å²	56.8	16%	0.157	29%	0.289	C	S	.	.	H	α-helix	trans	-65.6	-43.2	-179.1	-72.7	-65	-172.1	-172.2	0	112.7	Q56 I57 S62 I63 G64 E65 Y67	Q56-K60 HydrophobicContact CG-CG 4.29Å; Q56-K60 VanDerWaalsContact O-CB 3.25Å; Q56-K60 WeakPolarHBondContact O-CB 3.09Å; Q56-K60 WeakPolarHBondContact O-CG 3.42Å; Q56-K60 PolarHBondContact O-N 2.98Å; I57-K60 PolarHBondContact O-N 2.74Å; K60-S62 VanDerWaalsContact C-N 3.32Å; K60-S62 PolarHBondContact O-N 3.24Å; K60-I63 PolarHBondContact O-N 2.98Å; K60-G64 PolarHBondContact O-N 2.82Å; K60-E65 CarbonylContact C-O 3.54Å; K60-E65 WeakPolarHBondContact CB-O 3.33Å; K60-E65 HydrophobicContact CD-CB 4.05Å; K60-E65 WeakPolarHBondContact CD-OE2 3.2Å; K60-E65 IonicContact NZ-OE2 2.69Å; K60-E65 PolarHBondContact NZ-OE2 3.26Å; K60-E65 PolarHBondContact O-N 2.74Å; K60-Y67 HydrophobicContact CD-CE1 4.37Å; K60-Y67 WeakPolarHBondContact CE-OH 2.97Å; K60-Y67 PolarHBondContact NZ-OH 3.46Å
61	C	83.1	Confident	85	Confident	21 Å²	21	55.3 Å²	55.3	14%	0.142	28%	0.276	C	S	.	.	H	α-helix	trans	-62.3	-37.6	173.2	-71.1	0	0	0	0	112.2	I57 I63 G64	I57-C61 VanDerWaalsContact O-CB 3.28Å; I57-C61 WeakPolarHBondContact O-CB 3.36Å; I57-C61 PolarHBondContact O-N 2.95Å; I57-C61 PolarHBondContact O-SG 3Å; C61-I63 VanDerWaalsContact C-N 3.34Å; C61-G64 PolarHBondContact O-N 3.37Å
62	S	84	Confident	85.6	Confident	103 Å²	103	52.8 Å²	52.8	72%	0.72	26%	0.264	S	S	*	.	H	α-helix	trans	-67.5	-31.8	174.8	-64.3	0	0	0	0	113.4	R58 S59 K60 G64	R58-S62 PolarHBondContact O-N 3.2Å; R58-S62 PolarHBondContact O-OG 2.79Å; R58-S62 VanDerWaalsContact O-OG 3.05Å; S59-S62 PolarHBondContact O-N 3.41Å; K60-S62 VanDerWaalsContact C-N 3.32Å; K60-S62 PolarHBondContact O-N 3.24Å; S62-G64 VanDerWaalsContact C-N 3.33Å
63	I	87.3	Confident	85.8	Confident	106 Å²	106	52.5 Å²	52.5	54%	0.544	27%	0.265	S	S	.	.	H	α-helix	trans	-77.8	-20.9	176	-64.2	163.8	0	0	0	111.5	S59 K60 C61 E65	S59-I63 VanDerWaalsContact O-CG1 3.3Å; S59-I63 WeakPolarHBondContact O-CG1 3.31Å; S59-I63 PolarHBondContact O-N 3.12Å; K60-I63 PolarHBondContact O-N 2.98Å; C61-I63 VanDerWaalsContact C-N 3.34Å; I63-E65 HydrophobicContact CG2-CG 4.04Å
64	G	83.1	Confident	85.9	Confident	33 Å²	33	53.6 Å²	53.6	34%	0.34	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	87.8	15.6	-173.9	0	0	0	0	0	113.6	K60 C61 S62	K60-G64 PolarHBondContact O-N 2.82Å; C61-G64 PolarHBondContact O-N 3.37Å; S62-G64 VanDerWaalsContact C-N 3.33Å
65	E	84.6	Confident	85.8	Confident	65 Å²	65	47.9 Å²	47.9	30%	0.304	25%	0.249	S	C	.	.			trans	-97.4	112.5	174	-72.2	-177.4	166.9	0	0	109.6	K60 I63 Y67	K60-E65 CarbonylContact C-O 3.54Å; K60-E65 WeakPolarHBondContact CB-O 3.33Å; K60-E65 HydrophobicContact CD-CB 4.05Å; K60-E65 WeakPolarHBondContact CD-OE2 3.2Å; K60-E65 IonicContact NZ-OE2 2.69Å; K60-E65 PolarHBondContact NZ-OE2 3.26Å; K60-E65 PolarHBondContact O-N 2.74Å; I63-E65 HydrophobicContact CG2-CG 4.04Å; E65-Y67 VanDerWaalsContact C-N 3.32Å; E65-Y67 HydrophobicContact CB-CD1 3.99Å; E65-Y67 HydrophobicContact CB-CE1 3.9Å; E65-Y67 HydrophobicContact CG-CE1 4.25Å; E65-Y67 PolarHBondContact O-N 2.88Å; E65-Y67 VanDerWaalsContact OE2-CE1 3.27Å; E65-Y67 WeakPolarHBondContact OE2-CE1 3.4Å
66	Y	86.3	Confident	85.9	Confident	60 Å²	60	46.3 Å²	46.3	24%	0.235	24%	0.243	C	C	.	.			trans	-93.4	56.2	-177.2	-55.4	-71.4	0	0	0	111.8	P120 M122 Q123 Y251	Y66-P120 HydrophobicContact CD1-CG 3.78Å; Y66-P120 HydrophobicContact CD2-CB 4.22Å; Y66-P120 HydrophobicContact CD2-CG 3.47Å; Y66-P120 VanDerWaalsContact CD2-CG 3.47Å; Y66-P120 HydrophobicContact CE1-CG 3.52Å; Y66-P120 HydrophobicContact CE2-CB 4.3Å; Y66-P120 HydrophobicContact CE2-CG 3.22Å; Y66-P120 HydrophobicContact CG-CG 3.75Å; Y66-M122 CarbonylContact O-C 3.56Å; Y66-M122 WeakPolarHBondContact O-CA 3.49Å; Y66-Q123 PolarHBondContact O-N 3.02Å; Y66-Y251 VanDerWaalsContact CD2-OH 3.23Å; Y66-Y251 WeakPolarHBondContact CD2-OH 3.41Å; Y66-Y251 PolarHBondContact N-OH 3.45Å; Y66-Y251 VanDerWaalsContact N-OH 3.13Å
67	Y	88.7	Confident	85.9	Confident	28 Å²	28	51.1 Å²	51.1	11%	0.11	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	152.4	172.1	77.3	-91.4	0	0	0	112.8	K60 E65 D69 Q123 V125 Y251	K60-Y67 HydrophobicContact CD-CE1 4.37Å; K60-Y67 WeakPolarHBondContact CE-OH 2.97Å; K60-Y67 PolarHBondContact NZ-OH 3.46Å; E65-Y67 VanDerWaalsContact C-N 3.32Å; E65-Y67 HydrophobicContact CB-CD1 3.99Å; E65-Y67 HydrophobicContact CB-CE1 3.9Å; E65-Y67 HydrophobicContact CG-CE1 4.25Å; E65-Y67 PolarHBondContact O-N 2.88Å; E65-Y67 VanDerWaalsContact OE2-CE1 3.27Å; E65-Y67 WeakPolarHBondContact OE2-CE1 3.4Å; Y67-D69 WeakPolarHBondContact CD2-OD1 3.1Å; Y67-D69 WeakPolarHBondContact CE2-OD1 3.35Å; Y67-Q123 CarbonylContact C-O 3.59Å; Y67-Q123 WeakPolarHBondContact CA-O 3.23Å; Y67-V125 HydrophobicContact CD2-CG2 4.08Å; Y67-Y251 HydrophobicContact CD1-CD1 4.23Å; Y67-Y251 HydrophobicContact CD1-CG 4.11Å
68	I	89.7	Confident	85.7	Confident	1 Å²	1	55.2 Å²	55.2	1%	0.005	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	130.6	178	-56.2	169.4	0	0	0	108.3	Y53 I57 V70 A101 M122 Q123 V125	Y53-I68 HydrophobicContact CD1-CG2 4.32Å; I57-I68 HydrophobicContact CD1-CD1 3.7Å; I57-I68 HydrophobicContact CG1-CD1 3.47Å; I57-I68 VanDerWaalsContact CG1-CD1 3.47Å; I57-I68 HydrophobicContact CG1-CG1 3.8Å; I68-V70 HydrophobicContact CG2-CG2 3.92Å; I68-A101 HydrophobicContact CD1-CB 3.59Å; I68-M122 HydrophobicContact CD1-CE 3.68Å; I68-M122 HydrophobicContact CD1-SD 4.11Å; I68-M122 HydrophobicContact CG1-CE 3.52Å; I68-Q123 PolarHBondContact N-O 2.66Å; I68-V125 PolarHBondContact O-N 3Å
69	D	87.9	Confident	85.5	Confident	26 Å²	26	48.9 Å²	48.9	14%	0.139	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	111.3	173.4	-51.2	-51.6	0	0	0	109.5	Y53 Q56 Y67 V125 M127	Y53-D69 WeakPolarHBondContact CE1-O 3.38Å; Q56-D69 PolarHBondContact NE2-OD2 3.39Å; Q56-D69 PolarHBondContact OE1-O 3.41Å; Y67-D69 WeakPolarHBondContact CD2-OD1 3.1Å; Y67-D69 WeakPolarHBondContact CE2-OD1 3.35Å; D69-V125 CarbonylContact C-O 3.43Å; D69-V125 WeakPolarHBondContact CA-O 3.37Å; D69-V125 WeakPolarHBondContact OD1-CB 3.41Å; D69-M127 HydrophobicContact CB-CE 3.68Å; D69-M127 HydrophobicContact CB-CG 4.49Å; D69-M127 HydrophobicContact CB-SD 4.32Å
70	V	87.8	Confident	85.4	Confident	4 Å²	4	51.2 Å²	51.2	2%	0.024	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	124.8	-179.9	179.6	0	0	0	0	109.9	F40 Y53 I68 V124 V125 M127	F40-V70 HydrophobicContact CE1-CG1 4.09Å; F40-V70 HydrophobicContact CZ-CG1 4.48Å; Y53-V70 HydrophobicContact CE1-CB 4.5Å; Y53-V70 HydrophobicContact CE1-CG2 4.33Å; I68-V70 HydrophobicContact CG2-CG2 3.92Å; V70-V124 HydrophobicContact CB-CG1 4.34Å; V70-V124 HydrophobicContact CG2-CG1 3.82Å; V70-V125 PolarHBondContact N-O 2.7Å; V70-M127 PolarHBondContact O-N 2.75Å
71	H	86.3	Confident	85.4	Confident	60 Å²	60	54.6 Å²	54.6	28%	0.278	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	130.1	172.8	-71.2	-83.3	0	0	0	110.8	Y53 E73 D74 L75 M127	Y53-H71 PolarHBondContact OH-N 3.04Å; Y53-H71 VanDerWaalsContact OH-N 3.14Å; H71-E73 VanDerWaalsContact C-N 3.29Å; H71-E73 PolarHBondContact O-N 3.1Å; H71-D74 HydrophobicContact CB-CB 4.27Å; H71-D74 PolarHBondContact O-N 2.89Å; H71-L75 PolarHBondContact O-N 3.43Å; H71-M127 CarbonylContact C-O 3.57Å; H71-M127 WeakPolarHBondContact CA-O 3.46Å; H71-M127 WeakPolarHBondContact CE1-CE 3.29Å; H71-M127 WeakPolarHBondContact NE2-CE 3.42Å
72	L	84.8	Confident	85.3	Confident	4 Å²	4	54.6 Å²	54.6	2%	0.021	29%	0.291	C	S	.	.	H	α-helix	trans	-67	-31.2	179.9	-170.7	61.8	0	0	0	112.2	L75 V76 L86 M127 E130 L146	L72-L75 HydrophobicContact CD1-CD2 4.36Å; L72-L75 PolarHBondContact O-N 2.83Å; L72-V76 VanDerWaalsContact O-CG2 3.3Å; L72-V76 WeakPolarHBondContact O-CG2 3.44Å; L72-V76 PolarHBondContact O-N 2.94Å; L72-L86 HydrophobicContact CD1-CD2 3.96Å; L72-M127 PolarHBondContact N-O 3.44Å; L72-E130 WeakPolarHBondContact CD2-OE1 3.47Å; L72-L146 HydrophobicContact CD2-CD2 4.07Å
73	E	85.2	Confident	85.3	Confident	95 Å²	95	49.8 Å²	49.8	44%	0.444	26%	0.257	S	S	.	.	H	α-helix	trans	-63.5	-41.8	176.7	-64.2	179.6	140.3	0	0	111.9	H71 L75 V76 N77 S129	H71-E73 VanDerWaalsContact C-N 3.29Å; H71-E73 PolarHBondContact O-N 3.1Å; E73-L75 VanDerWaalsContact C-N 3.27Å; E73-L75 PolarHBondContact O-N 3.25Å; E73-V76 PolarHBondContact O-N 3.46Å; E73-N77 VanDerWaalsContact O-CG 3.25Å; E73-N77 PolarHBondContact O-N 3.39Å; E73-N77 PolarHBondContact O-ND2 3.12Å; E73-S129 WeakPolarHBondContact OE1-CB 3.33Å; E73-S129 PolarHBondContact OE1-OG 2.78Å
74	D	85	Confident	85.2	Confident	24 Å²	24	49.8 Å²	49.8	13%	0.128	25%	0.253	C	S	.	.	H	α-helix	trans	-61.1	-40.5	177.1	-67.9	-9.9	0	0	0	111.2	F40 F44 Y53 H71 N77 F78	F40-D74 HydrophobicContact CE2-CB 4.14Å; F40-D74 HydrophobicContact CZ-CB 3.99Å; F44-D74 HydrophobicContact CD2-CB 4.41Å; F44-D74 HydrophobicContact CE1-CB 3.92Å; F44-D74 WeakPolarHBondContact CE1-OD2 3.46Å; F44-D74 HydrophobicContact CE2-CB 3.63Å; F44-D74 HydrophobicContact CZ-CB 3.35Å; F44-D74 WeakPolarHBondContact CZ-OD1 3.36Å; Y53-D74 HydrophobicContact CE2-CB 4.39Å; Y53-D74 PolarHBondContact OH-OD2 3.48Å; H71-D74 HydrophobicContact CB-CB 4.27Å; H71-D74 PolarHBondContact O-N 2.89Å; D74-N77 PolarHBondContact O-N 2.75Å; D74-F78 PolarHBondContact O-N 2.99Å; D74-F78 VanDerWaalsContact O-N 3.11Å
75	L	83.5	Confident	85.3	Confident	6 Å²	6	51.7 Å²	51.7	3%	0.031	26%	0.255	C	S	.	.	H	α-helix	trans	-67.3	-39.9	176.7	-171.4	68	0	0	0	111.6	F37 F40 H71 L72 E73 N77 F78 C79 A83 L86	F37-L75 HydrophobicContact CD2-CD1 4.32Å; F40-L75 HydrophobicContact CD1-CD1 4.13Å; F40-L75 HydrophobicContact CD2-CD1 4.3Å; F40-L75 HydrophobicContact CE1-CD1 4.25Å; F40-L75 HydrophobicContact CE2-CD1 4.4Å; F40-L75 HydrophobicContact CG-CD1 4.15Å; F40-L75 HydrophobicContact CZ-CB 4.4Å; F40-L75 HydrophobicContact CZ-CD1 4.37Å; H71-L75 PolarHBondContact O-N 3.43Å; L72-L75 HydrophobicContact CD1-CD2 4.36Å; L72-L75 PolarHBondContact O-N 2.83Å; E73-L75 VanDerWaalsContact C-N 3.27Å; E73-L75 PolarHBondContact O-N 3.25Å; L75-N77 VanDerWaalsContact C-N 3.34Å; L75-F78 PolarHBondContact O-N 3.49Å; L75-C79 CarbonylContact O-C 3.57Å; L75-C79 PolarHBondContact O-N 3.43Å; L75-A83 HydrophobicContact CD2-CB 4.32Å; L75-A83 HydrophobicContact CG-CB 4.31Å; L75-L86 HydrophobicContact CD2-CD2 3.65Å
76	V	85.6	Confident	85.4	Confident	48 Å²	48	48.9 Å²	48.9	29%	0.291	24%	0.242	S	C	.	.	H	α-helix	trans	-62.8	-42.3	175.7	172.1	0	0	0	0	110.8	L72 E73 F78 A83	L72-V76 VanDerWaalsContact O-CG2 3.3Å; L72-V76 WeakPolarHBondContact O-CG2 3.44Å; L72-V76 PolarHBondContact O-N 2.94Å; E73-V76 PolarHBondContact O-N 3.46Å; V76-F78 VanDerWaalsContact C-N 3.32Å; V76-F78 PolarHBondContact O-N 2.93Å; V76-A83 HydrophobicContact CB-CB 4.4Å; V76-A83 HydrophobicContact CG2-CB 3.55Å
77	N	85.6	Confident	85.4	Confident	129 Å²	129	50.9 Å²	50.9	69%	0.69	25%	0.249	S	C	*	.	H	α-helix	trans	-65.9	-33.4	179.4	-70.3	-24.1	0	0	0	112.7	E73 D74 L75	E73-N77 VanDerWaalsContact O-CG 3.25Å; E73-N77 PolarHBondContact O-N 3.39Å; E73-N77 PolarHBondContact O-ND2 3.12Å; D74-N77 PolarHBondContact O-N 2.75Å; L75-N77 VanDerWaalsContact C-N 3.34Å
78	F	81.9	Confident	85.3	Confident	86 Å²	86	51.9 Å²	51.9	38%	0.377	26%	0.263	S	S	.	.	H	α-helix	trans	-82.7	-46.9	178.7	-173	-100.6	0	0	0	112.6	E39 F40 S43 D74 L75 V76	E39-F78 HydrophobicContact CG-CZ 4.21Å; F40-F78 HydrophobicContact CB-CD1 3.79Å; F40-F78 HydrophobicContact CB-CE1 3.91Å; F40-F78 HydrophobicContact CB-CG 4.43Å; F40-F78 HydrophobicContact CD2-CB 3.66Å; F40-F78 AromaticContact CD2-CD1 3.88Å; F40-F78 HydrophobicContact CD2-CD1 3.88Å; F40-F78 HydrophobicContact CD2-CD2 4.46Å; F40-F78 AromaticContact CD2-CG 3.75Å; F40-F78 HydrophobicContact CD2-CG 3.75Å; F40-F78 HydrophobicContact CE2-CB 4.1Å; F40-F78 HydrophobicContact CG-CD1 4.31Å; S43-F78 WeakPolarHBondContact OG-CE2 3.38Å; S43-F78 WeakPolarHBondContact OG-CZ 3.34Å; D74-F78 PolarHBondContact O-N 2.99Å; D74-F78 VanDerWaalsContact O-N 3.11Å; L75-F78 PolarHBondContact O-N 3.49Å; V76-F78 VanDerWaalsContact C-N 3.32Å; V76-F78 PolarHBondContact O-N 2.93Å
79	C	83	Confident	85.2	Confident	29 Å²	29	56 Å²	56	20%	0.196	28%	0.281	C	S	.	.			trans	-153	103.4	-179.9	-175.7	0	0	0	0	111.9	L75 D81 T82 A83	L75-C79 CarbonylContact O-C 3.57Å; L75-C79 PolarHBondContact O-N 3.43Å; C79-D81 VanDerWaalsContact C-N 3.29Å; C79-D81 PolarHBondContact O-N 2.85Å; C79-T82 HydrophobicContact CB-CG2 4.26Å; C79-T82 PolarHBondContact O-N 3.19Å; C79-T82 PolarHBondContact O-OG1 3.27Å; C79-A83 PolarHBondContact O-N 3.09Å
80	E	85	Confident	85.2	Confident	112 Å²	112	54.8 Å²	54.8	52%	0.523	28%	0.275	S	S	.	.	H	α-helix	trans	-59.1	-37.5	-179.5	-163.1	-171.9	158.9	0	0	112.9	A83 K84	E80-A83 PolarHBondContact O-N 2.76Å; E80-K84 VanDerWaalsContact CD-NZ 3.26Å; E80-K84 HydrophobicContact CG-CD 4.45Å; E80-K84 WeakPolarHBondContact O-CG 3.47Å; E80-K84 PolarHBondContact O-N 2.91Å; E80-K84 WeakPolarHBondContact OE1-CE 3.49Å; E80-K84 IonicContact OE1-NZ 3.14Å; E80-K84 PolarHBondContact OE1-NZ 2.72Å; E80-K84 IonicContact OE2-NZ 3.45Å
81	D	85.1	Confident	85	Confident	106 Å²	106	57.3 Å²	57.3	57%	0.567	29%	0.293	S	S	*	.	H	α-helix	trans	-67.2	-42.8	-176.5	-66.1	-30.9	0	0	0	112.4	C79 A83 K84 L85	C79-D81 VanDerWaalsContact C-N 3.29Å; C79-D81 PolarHBondContact O-N 2.85Å; D81-A83 VanDerWaalsContact C-N 3.29Å; D81-A83 PolarHBondContact O-N 3.46Å; D81-K84 PolarHBondContact O-N 3.42Å; D81-L85 WeakPolarHBondContact O-CG 3.27Å; D81-L85 PolarHBondContact O-N 3.07Å
82	T	81.8	Confident	84.9	Confident	22 Å²	22	59 Å²	59	14%	0.135	30%	0.301	C	S	.	.	H	α-helix	trans	-64.3	-37	175.7	61.6	0	0	0	0	111.6	T36 C79 L85 L86	T36-T82 VanDerWaalsContact OG1-CG2 3.27Å; T36-T82 WeakPolarHBondContact OG1-CG2 3.32Å; C79-T82 HydrophobicContact CB-CG2 4.26Å; C79-T82 PolarHBondContact O-N 3.19Å; C79-T82 PolarHBondContact O-OG1 3.27Å; T82-L85 PolarHBondContact O-N 3.24Å; T82-L86 WeakPolarHBondContact O-CB 3.41Å; T82-L86 PolarHBondContact O-N 2.88Å
83	A	83	Confident	84.8	Confident	2 Å²	2	60.1 Å²	60.1	2%	0.017	31%	0.305	C	S	.	.	H	α-helix	trans	-67.8	-40.4	176.3	0	0	0	0	0	111.9	L75 V76 C79 E80 D81 L86 R87	L75-A83 HydrophobicContact CD2-CB 4.32Å; L75-A83 HydrophobicContact CG-CB 4.31Å; V76-A83 HydrophobicContact CB-CB 4.4Å; V76-A83 HydrophobicContact CG2-CB 3.55Å; C79-A83 PolarHBondContact O-N 3.09Å; E80-A83 PolarHBondContact O-N 2.76Å; D81-A83 VanDerWaalsContact C-N 3.29Å; D81-A83 PolarHBondContact O-N 3.46Å; A83-L86 PolarHBondContact O-N 3.17Å; A83-R87 WeakPolarHBondContact O-CG 3.33Å; A83-R87 PolarHBondContact O-N 2.92Å
84	K	85.9	Confident	84.9	Confident	105 Å²	105	55.8 Å²	55.8	46%	0.457	29%	0.285	S	S	.	.	H	α-helix	trans	-60.8	-45.7	173.2	-75.4	171.1	-179.1	159.7	0	111.6	E80 D81 R87 A88	E80-K84 VanDerWaalsContact CD-NZ 3.26Å; E80-K84 HydrophobicContact CG-CD 4.45Å; E80-K84 WeakPolarHBondContact O-CG 3.47Å; E80-K84 PolarHBondContact O-N 2.91Å; E80-K84 WeakPolarHBondContact OE1-CE 3.49Å; E80-K84 IonicContact OE1-NZ 3.14Å; E80-K84 PolarHBondContact OE1-NZ 2.72Å; E80-K84 IonicContact OE2-NZ 3.45Å; D81-K84 PolarHBondContact O-N 3.42Å; K84-R87 PolarHBondContact O-N 3.1Å; K84-A88 WeakPolarHBondContact O-CB 3.44Å; K84-A88 PolarHBondContact O-N 2.8Å
85	L	85	Confident	84.9	Confident	74 Å²	74	57.7 Å²	57.7	39%	0.387	30%	0.299	S	S	.	.	H	α-helix	trans	-62.9	-43.1	177.2	-74.6	173.9	0	0	0	112.1	D81 T82 R87 A88 K89 F93	D81-L85 WeakPolarHBondContact O-CG 3.27Å; D81-L85 PolarHBondContact O-N 3.07Å; T82-L85 PolarHBondContact O-N 3.24Å; L85-R87 VanDerWaalsContact C-N 3.32Å; L85-R87 PolarHBondContact O-N 3.28Å; L85-A88 PolarHBondContact O-N 3.04Å; L85-K89 PolarHBondContact O-N 3.43Å; L85-F93 HydrophobicContact CB-CD2 4.35Å; L85-F93 HydrophobicContact CB-CE1 4.42Å; L85-F93 HydrophobicContact CB-CE2 3.7Å; L85-F93 HydrophobicContact CB-CZ 3.74Å; L85-F93 HydrophobicContact CD1-CE1 4.49Å; L85-F93 HydrophobicContact CD1-CZ 3.99Å; L85-F93 HydrophobicContact CD2-CE2 4.39Å; L85-F93 HydrophobicContact CD2-CZ 4.28Å; L85-F93 HydrophobicContact CG-CE2 4.49Å; L85-F93 HydrophobicContact CG-CZ 4.23Å
86	L	86.8	Confident	85	Confident	5 Å²	5	58.4 Å²	58.4	3%	0.026	30%	0.303	C	S	.	.	H	α-helix	trans	-61.3	-38.8	176.1	-177.8	63.5	0	0	0	112.1	L72 L75 T82 A83 P90 F93 M97 I126	L72-L86 HydrophobicContact CD1-CD2 3.96Å; L75-L86 HydrophobicContact CD2-CD2 3.65Å; T82-L86 WeakPolarHBondContact O-CB 3.41Å; T82-L86 PolarHBondContact O-N 2.88Å; A83-L86 PolarHBondContact O-N 3.17Å; L86-P90 WeakPolarHBondContact O-CA 3.5Å; L86-P90 WeakPolarHBondContact O-CB 3.36Å; L86-P90 VanDerWaalsContact O-CD 3.27Å; L86-P90 WeakPolarHBondContact O-CD 3.41Å; L86-F93 HydrophobicContact CD1-CB 4.02Å; L86-M97 HydrophobicContact CD1-SD 3.79Å; L86-M97 HydrophobicContact CD2-CE 4.48Å; L86-M97 HydrophobicContact CD2-SD 4.25Å; L86-I126 HydrophobicContact CD1-CD1 4.49Å; L86-I126 HydrophobicContact CD2-CD1 4.19Å
87	R	86	Confident	85	Confident	103 Å²	103	56.7 Å²	56.7	39%	0.389	29%	0.292	S	S	.	.	H	α-helix	trans	-67.6	-37.4	174.8	-73.2	179.3	179.7	169.1	4.5	112.5	A83 K84 L85 E130 L146	A83-R87 WeakPolarHBondContact O-CG 3.33Å; A83-R87 PolarHBondContact O-N 2.92Å; K84-R87 PolarHBondContact O-N 3.1Å; L85-R87 VanDerWaalsContact C-N 3.32Å; L85-R87 PolarHBondContact O-N 3.28Å; R87-E130 IonicContact CZ-OE1 3.05Å; R87-E130 IonicContact NE-OE1 3.63Å; R87-E130 IonicContact NH2-OE1 3.39Å; R87-E130 PolarHBondContact NH2-OE1 3.08Å; R87-L146 PolarHBondContact O-N 3.23Å
88	A	86.9	Confident	85.1	Confident	49 Å²	49	52.4 Å²	52.4	41%	0.405	27%	0.268	S	S	.	.	H	α-helix	trans	-77.9	-44.9	-176	0	0	0	0	0	113.5	K84 L85	K84-A88 WeakPolarHBondContact O-CB 3.44Å; K84-A88 PolarHBondContact O-N 2.8Å; L85-A88 PolarHBondContact O-N 3.04Å
89	K	86.9	Confident	85.4	Confident	88 Å²	88	50.5 Å²	50.5	38%	0.383	27%	0.266	S	S	.	.			trans	-132.8	57.9	-175.8	-64.9	-175.9	179.2	179.1	0	112.7	E26 L85 S91 Q92 F93	E26-K89 IonicContact OE1-NZ 2.78Å; E26-K89 PolarHBondContact OE1-NZ 3.29Å; L85-K89 PolarHBondContact O-N 3.43Å; K89-S91 PolarHBondContact O-N 3.47Å; K89-S91 VanDerWaalsContact O-N 3.11Å; K89-Q92 PolarHBondContact O-N 3.48Å; K89-F93 HydrophobicContact CB-CD2 4.21Å; K89-F93 HydrophobicContact CB-CE2 4.14Å; K89-F93 VanDerWaalsContact O-CD2 3.26Å; K89-F93 WeakPolarHBondContact O-CD2 3.2Å; K89-F93 PolarHBondContact O-N 3.46Å
90	P	88	Confident	85.6	Confident	0 Å²	0	49.1 Å²	49.1	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-58	-30.7	-176.2	23.4	-34.6	0	0	0	113.9	L86 Q92 F93 L94 T144 I267	L86-P90 WeakPolarHBondContact O-CA 3.5Å; L86-P90 WeakPolarHBondContact O-CB 3.36Å; L86-P90 VanDerWaalsContact O-CD 3.27Å; L86-P90 WeakPolarHBondContact O-CD 3.41Å; P90-Q92 VanDerWaalsContact C-N 3.3Å; P90-Q92 PolarHBondContact O-N 2.98Å; P90-F93 PolarHBondContact O-N 3.33Å; P90-L94 HydrophobicContact CB-CD1 4.31Å; P90-L94 WeakPolarHBondContact O-CB 3.39Å; P90-L94 VanDerWaalsContact O-CD1 3.3Å; P90-L94 WeakPolarHBondContact O-CD1 3.29Å; P90-L94 WeakPolarHBondContact O-CG 3.37Å; P90-L94 PolarHBondContact O-N 3.43Å; P90-T144 WeakPolarHBondContact CD-O 3.35Å; P90-T144 WeakPolarHBondContact CG-O 3.37Å; P90-I267 HydrophobicContact CB-CD1 3.76Å; P90-I267 HydrophobicContact CB-CG1 4Å; P90-I267 HydrophobicContact CG-CD1 3.8Å; P90-I267 HydrophobicContact CG-CG1 3.76Å; P90-I267 HydrophobicContact CG-CG2 4.08Å
91	S	83.4	Confident	85.8	Confident	57 Å²	57	43.8 Å²	43.8	40%	0.399	23%	0.231	S	C	.	.	H	α-helix	trans	-63.4	-31.9	-177	55.9	0	0	0	0	114.4	K89 P95	K89-S91 PolarHBondContact O-N 3.47Å; K89-S91 VanDerWaalsContact O-N 3.11Å; S91-P95 WeakPolarHBondContact O-CD 3.46Å
92	Q	84.2	Confident	85.9	Confident	96 Å²	96	41 Å²	41	45%	0.449	21%	0.214	S	C	.	.	H	α-helix	trans	-87.6	-38.1	179.1	-69.6	175.7	-17.6	0	0	111.4	K89 P90 P95 V96	K89-Q92 PolarHBondContact O-N 3.48Å; P90-Q92 VanDerWaalsContact C-N 3.3Å; P90-Q92 PolarHBondContact O-N 2.98Å; Q92-P95 WeakPolarHBondContact O-CD 3.41Å; Q92-V96 WeakPolarHBondContact O-CG2 3.38Å
93	F	84.1	Confident	86.2	Confident	26 Å²	26	43 Å²	43	11%	0.114	22%	0.222	C	C	.	.	H	α-helix	trans	-75.8	-31.2	-177.7	-73.6	-73.2	0	0	0	113.6	A33 L85 L86 K89 P90 V96 M97	A33-F93 HydrophobicContact CB-CD1 4.04Å; A33-F93 HydrophobicContact CB-CE1 3.63Å; L85-F93 HydrophobicContact CB-CD2 4.35Å; L85-F93 HydrophobicContact CB-CE1 4.42Å; L85-F93 HydrophobicContact CB-CE2 3.7Å; L85-F93 HydrophobicContact CB-CZ 3.74Å; L85-F93 HydrophobicContact CD1-CE1 4.49Å; L85-F93 HydrophobicContact CD1-CZ 3.99Å; L85-F93 HydrophobicContact CD2-CE2 4.39Å; L85-F93 HydrophobicContact CD2-CZ 4.28Å; L85-F93 HydrophobicContact CG-CE2 4.49Å; L85-F93 HydrophobicContact CG-CZ 4.23Å; L86-F93 HydrophobicContact CD1-CB 4.02Å; K89-F93 HydrophobicContact CB-CD2 4.21Å; K89-F93 HydrophobicContact CB-CE2 4.14Å; K89-F93 VanDerWaalsContact O-CD2 3.26Å; K89-F93 WeakPolarHBondContact O-CD2 3.2Å; K89-F93 PolarHBondContact O-N 3.46Å; P90-F93 PolarHBondContact O-N 3.33Å; F93-V96 WeakPolarHBondContact O-CB 3.39Å; F93-V96 PolarHBondContact O-N 2.96Å; F93-M97 WeakPolarHBondContact O-CG 3.37Å; F93-M97 PolarHBondContact O-N 3.34Å
94	L	85.8	Confident	86.3	Confident	4 Å²	4	43 Å²	43	2%	0.021	22%	0.222	C	C	.	.	H	α-helix	trans	-61.4	-48.9	-178.8	-77	165.4	0	0	0	114.2	P90 V96 M97 E98 I126 I267 L297	P90-L94 HydrophobicContact CB-CD1 4.31Å; P90-L94 WeakPolarHBondContact O-CB 3.39Å; P90-L94 VanDerWaalsContact O-CD1 3.3Å; P90-L94 WeakPolarHBondContact O-CD1 3.29Å; P90-L94 WeakPolarHBondContact O-CG 3.37Å; P90-L94 PolarHBondContact O-N 3.43Å; L94-V96 PolarHBondContact O-N 3.49Å; L94-M97 WeakPolarHBondContact O-CB 3.39Å; L94-M97 PolarHBondContact O-N 2.82Å; L94-M97 VanDerWaalsContact O-N 3.13Å; L94-E98 PolarHBondContact O-N 3.18Å; L94-I126 HydrophobicContact CD2-CD1 3.86Å; L94-I267 HydrophobicContact CD1-CD1 3.79Å; L94-L297 HydrophobicContact CD1-CD1 3.59Å; L94-L297 HydrophobicContact CD1-CD2 3.34Å; L94-L297 HydrophobicContact CD1-CG 4.09Å; L94-L297 HydrophobicContact CD2-CD1 4.32Å; L94-L297 HydrophobicContact CD2-CD2 4.4Å; L94-L297 HydrophobicContact CG-CD1 4.49Å
95	P	85.2	Confident	86.3	Confident	64 Å²	64	38 Å²	38	42%	0.416	20%	0.2	S	C	.	.	H	α-helix	trans	-58.4	-34.7	174.5	-25.1	34.2	0	0	0	113.1	S91 Q92 E98 S99	S91-P95 WeakPolarHBondContact O-CD 3.46Å; Q92-P95 WeakPolarHBondContact O-CD 3.41Å; P95-E98 PolarHBondContact O-N 2.96Å; P95-S99 PolarHBondContact O-N 3.23Å
96	V	86.3	Confident	86.3	Confident	22 Å²	22	36.8 Å²	36.8	13%	0.133	19%	0.192	C	C	.	.	H	α-helix	trans	-66.4	-45.2	176.2	-178.8	0	0	0	0	110	M30 K34 Q92 F93 L94 E98 S99 V100	M30-V96 HydrophobicContact CG-CG2 3.72Å; M30-V96 HydrophobicContact SD-CG2 3.64Å; K34-V96 HydrophobicContact CB-CG1 3.9Å; K34-V96 HydrophobicContact CG-CG1 3.97Å; Q92-V96 WeakPolarHBondContact O-CG2 3.38Å; F93-V96 WeakPolarHBondContact O-CB 3.39Å; F93-V96 PolarHBondContact O-N 2.96Å; L94-V96 PolarHBondContact O-N 3.49Å; V96-E98 PolarHBondContact O-N 2.81Å; V96-S99 PolarHBondContact O-N 2.84Å; V96-S99 PolarHBondContact O-OG 2.89Å; V96-V100 WeakPolarHBondContact O-CG2 3.32Å; V96-V100 PolarHBondContact O-N 3.31Å
97	M	85.9	Confident	86.2	Confident	12 Å²	12	40.5 Å²	40.5	6%	0.059	21%	0.21	C	C	.	.	H	α-helix	trans	-60.9	-41.8	175	-68.7	173.6	76.2	0	0	112.2	F37 L86 F93 L94 S99 V100 A101 V124	F37-M97 HydrophobicContact CD1-CB 4.14Å; F37-M97 HydrophobicContact CD1-CG 3.98Å; F37-M97 HydrophobicContact CD2-CE 4.02Å; F37-M97 HydrophobicContact CD2-CG 4.32Å; F37-M97 HydrophobicContact CE1-CB 3.71Å; F37-M97 HydrophobicContact CE1-CE 4.2Å; F37-M97 HydrophobicContact CE1-CG 3.89Å; F37-M97 HydrophobicContact CE2-CE 3.27Å; F37-M97 HydrophobicContact CE2-CG 4.25Å; F37-M97 HydrophobicContact CG-CG 4.2Å; F37-M97 HydrophobicContact CZ-CB 4.07Å; F37-M97 HydrophobicContact CZ-CE 3.38Å; F37-M97 HydrophobicContact CZ-CG 4.04Å; L86-M97 HydrophobicContact CD1-SD 3.79Å; L86-M97 HydrophobicContact CD2-CE 4.48Å; L86-M97 HydrophobicContact CD2-SD 4.25Å; F93-M97 WeakPolarHBondContact O-CG 3.37Å; F93-M97 PolarHBondContact O-N 3.34Å; L94-M97 WeakPolarHBondContact O-CB 3.39Å; L94-M97 PolarHBondContact O-N 2.82Å; L94-M97 VanDerWaalsContact O-N 3.13Å; M97-S99 VanDerWaalsContact C-N 3.34Å; M97-S99 PolarHBondContact O-N 3.36Å; M97-V100 PolarHBondContact O-N 3.29Å; M97-A101 VanDerWaalsContact O-CB 3.31Å; M97-A101 WeakPolarHBondContact O-CB 3.4Å; M97-A101 PolarHBondContact O-N 3.44Å; M97-V124 HydrophobicContact CB-CG2 4.23Å; M97-V124 HydrophobicContact CE-CG1 3.99Å
98	E	87.8	Confident	86	Confident	39 Å²	39	37.1 Å²	37.1	18%	0.182	20%	0.199	C	C	.	.	H	α-helix	trans	-62.4	-40.2	175.1	-70.1	-175.7	173.2	0	0	111.7	L94 P95 V96 A101 K102 M122 V124 R250	L94-E98 PolarHBondContact O-N 3.18Å; P95-E98 PolarHBondContact O-N 2.96Å; V96-E98 PolarHBondContact O-N 2.81Å; E98-A101 PolarHBondContact O-N 3.14Å; E98-K102 WeakPolarHBondContact O-CB 3.5Å; E98-K102 PolarHBondContact O-N 3.2Å; E98-M122 WeakPolarHBondContact CG-O 3.07Å; E98-V124 HydrophobicContact CG-CB 4.49Å; E98-V124 HydrophobicContact CG-CG2 4.09Å; E98-R250 IonicContact OE2-NH2 3.29Å
99	S	86.7	Confident	85.4	Confident	46 Å²	46	38.1 Å²	38.1	32%	0.322	20%	0.2	S	C	.	.	H	α-helix	trans	-64.3	-40.9	175.9	77.3	0	0	0	0	112.5	P95 V96 M97 K102 E103	P95-S99 PolarHBondContact O-N 3.23Å; V96-S99 PolarHBondContact O-N 2.84Å; V96-S99 PolarHBondContact O-OG 2.89Å; M97-S99 VanDerWaalsContact C-N 3.34Å; M97-S99 PolarHBondContact O-N 3.36Å; S99-K102 WeakPolarHBondContact O-CB 3.22Å; S99-K102 PolarHBondContact O-N 3.22Å; S99-E103 WeakPolarHBondContact O-CG 3.16Å; S99-E103 PolarHBondContact O-N 3.39Å
100	V	88.8	Confident	84.7	Confident	0 Å²	0	38 Å²	38	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-70.6	-41	178	174.8	0	0	0	0	111	K34 F37 K38 L41 V96 M97 K102 E103 V104	K34-V100 HydrophobicContact CB-CG2 4.36Å; K34-V100 HydrophobicContact CD-CG2 4.18Å; K34-V100 HydrophobicContact CG-CG2 3.27Å; F37-V100 HydrophobicContact CD1-CB 3.77Å; F37-V100 HydrophobicContact CD1-CG1 3.67Å; F37-V100 HydrophobicContact CD1-CG2 4.34Å; F37-V100 HydrophobicContact CE1-CB 4.27Å; F37-V100 HydrophobicContact CE1-CG1 4.27Å; K38-V100 HydrophobicContact CB-CG1 3.68Å; K38-V100 HydrophobicContact CG-CG1 4.24Å; L41-V100 HydrophobicContact CD1-CG1 4.22Å; V96-V100 WeakPolarHBondContact O-CG2 3.32Å; V96-V100 PolarHBondContact O-N 3.31Å; M97-V100 PolarHBondContact O-N 3.29Å; V100-K102 VanDerWaalsContact C-N 3.26Å; V100-K102 PolarHBondContact O-N 3.14Å; V100-E103 PolarHBondContact O-N 2.79Å; V100-V104 HydrophobicContact CG1-CG2 4.24Å; V100-V104 WeakPolarHBondContact O-CG2 3.27Å; V100-V104 PolarHBondContact O-N 3.08Å
101	A	87.6	Confident	83.6	Confident	0 Å²	0	43.8 Å²	43.8	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-56.8	-43.5	174.3	0	0	0	0	0	111.2	I68 M97 E98 V104 A105 M122 V124	I68-A101 HydrophobicContact CD1-CB 3.59Å; M97-A101 VanDerWaalsContact O-CB 3.31Å; M97-A101 WeakPolarHBondContact O-CB 3.4Å; M97-A101 PolarHBondContact O-N 3.44Å; E98-A101 PolarHBondContact O-N 3.14Å; A101-V104 PolarHBondContact O-N 3.39Å; A101-A105 VanDerWaalsContact O-CB 3.28Å; A101-A105 WeakPolarHBondContact O-CB 3.32Å; A101-A105 PolarHBondContact O-N 3.39Å; A101-M122 HydrophobicContact CB-CB 4.3Å; A101-M122 HydrophobicContact CB-SD 4.39Å; A101-V124 HydrophobicContact CB-CG2 4.26Å
102	K	87.7	Confident	82.3	Confident	48 Å²	48	45.1 Å²	45.1	21%	0.209	24%	0.244	C	C	.	.	H	α-helix	trans	-61	-49.4	174.1	-175.7	179.1	-174.3	161.8	0	112.3	E98 S99 V100 V104 A105 E106 L119 D121	E98-K102 WeakPolarHBondContact O-CB 3.5Å; E98-K102 PolarHBondContact O-N 3.2Å; S99-K102 WeakPolarHBondContact O-CB 3.22Å; S99-K102 PolarHBondContact O-N 3.22Å; V100-K102 VanDerWaalsContact C-N 3.26Å; V100-K102 PolarHBondContact O-N 3.14Å; K102-V104 VanDerWaalsContact C-N 3.34Å; K102-V104 PolarHBondContact O-N 2.91Å; K102-A105 PolarHBondContact O-N 3.38Å; K102-E106 WeakPolarHBondContact O-CG 3.49Å; K102-E106 PolarHBondContact O-N 2.85Å; K102-L119 WeakPolarHBondContact CE-O 3.4Å; K102-L119 PolarHBondContact NZ-O 3.24Å; K102-L119 VanDerWaalsContact NZ-O 3.1Å; K102-D121 IonicContact NZ-OD1 3.61Å; K102-D121 PolarHBondContact NZ-OD1 3.21Å
103	E	87.8	Confident	81.1	Confident	62 Å²	62	45.4 Å²	45.4	29%	0.29	26%	0.263	S	S	.	.	H	α-helix	trans	-57.4	-46.3	177.3	-74	176.4	-161.5	0	0	111.8	K34 K38 S99 V100 E106 E107	K34-E103 VanDerWaalsContact CE-OE1 3.29Å; K34-E103 WeakPolarHBondContact CE-OE1 3.37Å; K34-E103 IonicContact NZ-OE1 3.96Å; K34-E103 PolarHBondContact NZ-OE1 3.28Å; K34-E103 IonicContact NZ-OE2 3.49Å; K38-E103 IonicContact NZ-OE2 3.73Å; S99-E103 WeakPolarHBondContact O-CG 3.16Å; S99-E103 PolarHBondContact O-N 3.39Å; V100-E103 PolarHBondContact O-N 2.79Å; E103-E106 PolarHBondContact O-N 3.47Å; E103-E107 WeakPolarHBondContact O-CG 3.44Å; E103-E107 PolarHBondContact O-N 3.39Å
104	V	85.8	Confident	79.6	Confident	3 Å²	3	50 Å²	50	2%	0.018	29%	0.293	C	S	.	.	H	α-helix	trans	-66.7	-38	179.5	173.2	0	0	0	0	111.2	K38 L41 I57 V100 A101 K102 E107 I108	K38-V104 HydrophobicContact CG-CG2 4.08Å; L41-V104 HydrophobicContact CB-CG1 4.43Å; L41-V104 HydrophobicContact CB-CG2 4.46Å; L41-V104 HydrophobicContact CD1-CB 4.41Å; L41-V104 HydrophobicContact CD1-CG2 4.18Å; I57-V104 HydrophobicContact CD1-CG1 4.04Å; V100-V104 HydrophobicContact CG1-CG2 4.24Å; V100-V104 WeakPolarHBondContact O-CG2 3.27Å; V100-V104 PolarHBondContact O-N 3.08Å; A101-V104 PolarHBondContact O-N 3.39Å; K102-V104 VanDerWaalsContact C-N 3.34Å; K102-V104 PolarHBondContact O-N 2.91Å; V104-E107 PolarHBondContact O-N 3.39Å; V104-I108 HydrophobicContact CG1-CD1 3.69Å; V104-I108 HydrophobicContact CG1-CG1 4.47Å; V104-I108 VanDerWaalsContact O-CD1 3.32Å; V104-I108 WeakPolarHBondContact O-CD1 3.41Å; V104-I108 WeakPolarHBondContact O-CG1 3.37Å; V104-I108 PolarHBondContact O-N 2.9Å
105	A	85	Confident	78.1	Confident	0 Å²	0	54.4 Å²	54.4	0%	0	32%	0.32	C	S	.	.	H	α-helix	trans	-67.7	-37.4	176.4	0	0	0	0	0	112.7	I57 A101 K102 I108 T109 L119 M122	I57-A105 HydrophobicContact CG2-CB 3.66Å; A101-A105 VanDerWaalsContact O-CB 3.28Å; A101-A105 WeakPolarHBondContact O-CB 3.32Å; A101-A105 PolarHBondContact O-N 3.39Å; K102-A105 PolarHBondContact O-N 3.38Å; A105-I108 PolarHBondContact O-N 2.83Å; A105-T109 VanDerWaalsContact O-CB 3.25Å; A105-T109 WeakPolarHBondContact O-CB 3.41Å; A105-T109 PolarHBondContact O-N 3.23Å; A105-T109 PolarHBondContact O-OG1 2.96Å; A105-L119 HydrophobicContact CB-CD1 4.27Å; A105-M122 HydrophobicContact CB-CE 4.4Å; A105-M122 HydrophobicContact CB-SD 3.34Å; A105-M122 WeakPolarHBondContact CB-SD 3.41Å
106	E	85	Confident	76.7	Confident	49 Å²	49	60.4 Å²	60.4	23%	0.229	34%	0.343	C	S	.	.	H	α-helix	trans	-62.8	-44.7	173.6	-74.1	-175.9	-179.6	0	0	111	K102 E103 I108 T109 R110 L119	K102-E106 WeakPolarHBondContact O-CG 3.49Å; K102-E106 PolarHBondContact O-N 2.85Å; E103-E106 PolarHBondContact O-N 3.47Å; E106-I108 VanDerWaalsContact C-N 3.35Å; E106-I108 PolarHBondContact O-N 3.14Å; E106-T109 PolarHBondContact O-N 2.93Å; E106-R110 VanDerWaalsContact O-CB 3.29Å; E106-R110 WeakPolarHBondContact O-CB 3.28Å; E106-R110 PolarHBondContact O-N 3Å; E106-R110 IonicContact OE2-NH1 2.76Å; E106-L119 HydrophobicContact CB-CD1 4.32Å; E106-L119 HydrophobicContact CG-CB 4.12Å; E106-L119 HydrophobicContact CG-CD1 3.6Å; E106-L119 HydrophobicContact CG-CG 4.02Å
107	E	84.7	Confident	75.4	Confident	83 Å²	83	66.9 Å²	66.9	39%	0.388	37%	0.372	S	S	.	.	H	α-helix	trans	-62.2	-37.6	176.6	-71.1	171.2	177.9	0	0	113.1	K38 R42 E103 V104	K38-E107 VanDerWaalsContact CE-OE1 3.29Å; K38-E107 WeakPolarHBondContact CE-OE1 3.45Å; K38-E107 IonicContact NZ-OE1 3.95Å; K38-E107 PolarHBondContact NZ-OE1 3.49Å; R42-E107 IonicContact CZ-OE2 3.48Å; R42-E107 IonicContact NE-OE2 3.51Å; R42-E107 IonicContact NH2-OE1 3.06Å; R42-E107 PolarHBondContact NH2-OE1 2.95Å; R42-E107 IonicContact NH2-OE2 2.66Å; R42-E107 PolarHBondContact NH2-OE2 3.46Å; E103-E107 WeakPolarHBondContact O-CG 3.44Å; E103-E107 PolarHBondContact O-N 3.39Å; V104-E107 PolarHBondContact O-N 3.39Å
108	I	81.8	Confident	74.3	Confident	32 Å²	32	71 Å²	71	16%	0.164	40%	0.399	C	S	.	.	H	α-helix	trans	-76.3	-39.9	179.9	-65	159.5	0	0	0	111.4	R54 I57 R58 V104 A105 E106	R54-I108 HydrophobicContact CB-CD1 4.49Å; R54-I108 HydrophobicContact CG-CD1 3.68Å; R54-I108 HydrophobicContact CG-CG1 4.12Å; I57-I108 HydrophobicContact CB-CD1 4.3Å; I57-I108 HydrophobicContact CD1-CD1 4.48Å; I57-I108 HydrophobicContact CG2-CD1 4Å; R58-I108 HydrophobicContact CB-CG2 4.1Å; R58-I108 HydrophobicContact CG-CG2 4.32Å; V104-I108 HydrophobicContact CG1-CD1 3.69Å; V104-I108 HydrophobicContact CG1-CG1 4.47Å; V104-I108 VanDerWaalsContact O-CD1 3.32Å; V104-I108 WeakPolarHBondContact O-CD1 3.41Å; V104-I108 WeakPolarHBondContact O-CG1 3.37Å; V104-I108 PolarHBondContact O-N 2.9Å; A105-I108 PolarHBondContact O-N 2.83Å; E106-I108 VanDerWaalsContact C-N 3.35Å; E106-I108 PolarHBondContact O-N 3.14Å
109	T	75	Confident	73.3	Confident	69 Å²	69	70.6 Å²	70.6	42%	0.423	40%	0.398	S	S	.	.	H	α-helix	trans	-80.7	-32.6	-174.3	-51.7	0	0	0	0	112	A105 E106 P111	A105-T109 VanDerWaalsContact O-CB 3.25Å; A105-T109 WeakPolarHBondContact O-CB 3.41Å; A105-T109 PolarHBondContact O-N 3.23Å; A105-T109 PolarHBondContact O-OG1 2.96Å; E106-T109 PolarHBondContact O-N 2.93Å; T109-P111 WeakPolarHBondContact O-CD 2.94Å
110	R	72.7	Confident	72.8	Confident	87 Å²	87	71.1 Å²	71.1	33%	0.328	40%	0.401	S	S	.	.			trans	-105.3	83.4	179	-60.1	-177.8	-176	153	-0.7	110.9	E106 Q117	E106-R110 VanDerWaalsContact O-CB 3.29Å; E106-R110 WeakPolarHBondContact O-CB 3.28Å; E106-R110 PolarHBondContact O-N 3Å; E106-R110 IonicContact OE2-NH1 2.76Å; R110-Q117 PolarHBondContact NH2-O 3Å
111	P	64.3	Low	72.4	Confident	121 Å²	121	74.5 Å²	74.5	79%	0.786	42%	0.419	S	S	*	.	S	Bend	trans	-71.2	-19.5	163.3	27.8	-30.4	0	0	0	112.3	T109	T109-P111 WeakPolarHBondContact O-CD 2.94Å
112	S	57.2	Low	72.3	Confident	85 Å²	85	74.7 Å²	74.7	59%	0.594	42%	0.419	S	S	*	.	S	Bend	trans	-132.1	137	178.8	-69.2	0	0	0	0	112.3	T114	S112-T114 VanDerWaalsContact C-N 3.27Å; S112-T114 PolarHBondContact O-N 3.05Å
113	A	57.3	Low	72.3	Confident	102 Å²	102	72.9 Å²	72.9	84%	0.843	41%	0.412	S	S	*	.	S	Bend	trans	-71.5	10.2	-164.7	0	0	0	0	0	117.7
114	T	54.3	Low	72.3	Confident	123 Å²	123	70 Å²	70	76%	0.755	40%	0.399	S	S	*	.			trans	-94.4	5.9	-158.4	-22.5	0	0	0	0	116	S112	S112-T114 VanDerWaalsContact C-N 3.27Å; S112-T114 PolarHBondContact O-N 3.05Å
115	T	53.7	Low	72.5	Confident	96 Å²	96	70 Å²	70	59%	0.589	40%	0.398	S	S	*	.			trans	-128.2	106	-178.1	-44.1	0	0	0	0	111.6	Q117	T115-Q117 VanDerWaalsContact C-N 3.28Å; T115-Q117 PolarHBondContact O-N 3.3Å
116	E	55.2	Low	72.7	Confident	190 Å²	190	70.1 Å²	70.1	89%	0.888	40%	0.399	S	S	*	.			trans	-76.7	3.9	-170.2	-66.1	-175.1	156.6	0	0	115.6	P118	E116-P118 VanDerWaalsContact O-CD 3.3Å; E116-P118 WeakPolarHBondContact O-CD 3.42Å
117	Q	59.4	Low	72.8	Confident	158 Å²	158	70 Å²	70	74%	0.738	40%	0.399	S	S	*	.	P	Polyproline II helix	trans	-79.8	116.2	-177.7	-68.2	-175.8	-3	0	0	110.7	R110 T115 L119	R110-Q117 PolarHBondContact NH2-O 3Å; T115-Q117 VanDerWaalsContact C-N 3.28Å; T115-Q117 PolarHBondContact O-N 3.3Å; Q117-L119 PolarHBondContact O-N 3.19Å
118	P	63.3	Low	72.7	Confident	98 Å²	98	66.4 Å²	66.4	64%	0.636	38%	0.383	S	S	*	.	P	Polyproline II helix	trans	-61.2	134.1	178.6	25.8	-33.3	0	0	0	109.7	E116	E116-P118 VanDerWaalsContact O-CD 3.3Å; E116-P118 WeakPolarHBondContact O-CD 3.42Å
119	L	67	Low	72.5	Confident	30 Å²	30	67.8 Å²	67.8	16%	0.157	40%	0.396	C	S	.	.	P	Polyproline II helix	trans	-62.1	142.5	175.2	-77.1	177.6	0	0	0	109.2	K102 A105 E106 Q117	K102-L119 WeakPolarHBondContact CE-O 3.4Å; K102-L119 PolarHBondContact NZ-O 3.24Å; K102-L119 VanDerWaalsContact NZ-O 3.1Å; A105-L119 HydrophobicContact CB-CD1 4.27Å; E106-L119 HydrophobicContact CB-CD1 4.32Å; E106-L119 HydrophobicContact CG-CB 4.12Å; E106-L119 HydrophobicContact CG-CD1 3.6Å; E106-L119 HydrophobicContact CG-CG 4.02Å; Q117-L119 PolarHBondContact O-N 3.19Å
120	P	74.9	Confident	72.9	Confident	58 Å²	58	68.1 Å²	68.1	38%	0.377	39%	0.392	S	S	.	.	P	Polyproline II helix	trans	-63.7	157.2	172.7	26	-32.1	0	0	0	110.8	Y66 M122	Y66-P120 HydrophobicContact CD1-CG 3.78Å; Y66-P120 HydrophobicContact CD2-CB 4.22Å; Y66-P120 HydrophobicContact CD2-CG 3.47Å; Y66-P120 VanDerWaalsContact CD2-CG 3.47Å; Y66-P120 HydrophobicContact CE1-CG 3.52Å; Y66-P120 HydrophobicContact CE2-CB 4.3Å; Y66-P120 HydrophobicContact CE2-CG 3.22Å; Y66-P120 HydrophobicContact CG-CG 3.75Å; P120-M122 PolarHBondContact O-N 3.48Å
121	D	81.8	Confident	73.3	Confident	71 Å²	71	71.7 Å²	71.7	38%	0.38	42%	0.417	S	S	.	.	P	Polyproline II helix	trans	-69.3	124.2	-173.4	-60.2	-30.1	0	0	0	111.1	K102 R250	K102-D121 IonicContact NZ-OD1 3.61Å; K102-D121 PolarHBondContact NZ-OD1 3.21Å; D121-R250 PolarHBondContact O-NH1 2.9Å
122	M	83.7	Confident	74.2	Confident	3 Å²	3	68.3 Å²	68.3	2%	0.015	40%	0.395	C	S	.	.	P	Polyproline II helix	trans	-77.4	141	177.6	-63.2	-171.1	84.1	0	0	111.5	I57 Y66 I68 E98 A101 A105 P120	I57-M122 HydrophobicContact CG1-CE 4.49Å; I57-M122 HydrophobicContact CG2-CE 4.23Å; Y66-M122 CarbonylContact O-C 3.56Å; Y66-M122 WeakPolarHBondContact O-CA 3.49Å; I68-M122 HydrophobicContact CD1-CE 3.68Å; I68-M122 HydrophobicContact CD1-SD 4.11Å; I68-M122 HydrophobicContact CG1-CE 3.52Å; E98-M122 WeakPolarHBondContact CG-O 3.07Å; A101-M122 HydrophobicContact CB-CB 4.3Å; A101-M122 HydrophobicContact CB-SD 4.39Å; A105-M122 HydrophobicContact CB-CE 4.4Å; A105-M122 HydrophobicContact CB-SD 3.34Å; A105-M122 WeakPolarHBondContact CB-SD 3.41Å; P120-M122 PolarHBondContact O-N 3.48Å
123	Q	88.3	Confident	75.6	Confident	10 Å²	10	70.3 Å²	70.3	5%	0.047	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	128.5	173.9	-176.1	175.8	14.3	0	0	110.5	Y66 Y67 I68 D249 R250 Y251	Y66-Q123 PolarHBondContact O-N 3.02Å; Y67-Q123 CarbonylContact C-O 3.59Å; Y67-Q123 WeakPolarHBondContact CA-O 3.23Å; I68-Q123 PolarHBondContact N-O 2.66Å; Q123-D249 PolarHBondContact NE2-O 2.96Å; Q123-R250 VanDerWaalsContact OE1-CB 3.32Å; Q123-Y251 HydrophobicContact CB-CD2 4.5Å; Q123-Y251 VanDerWaalsContact OE1-N 3.08Å
124	V	88.9	Confident	76.9	Confident	3 Å²	3	67.3 Å²	67.3	2%	0.018	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	120	173.2	179.6	0	0	0	0	109.3	V70 M97 E98 A101	V70-V124 HydrophobicContact CB-CG1 4.34Å; V70-V124 HydrophobicContact CG2-CG1 3.82Å; M97-V124 HydrophobicContact CB-CG2 4.23Å; M97-V124 HydrophobicContact CE-CG1 3.99Å; E98-V124 HydrophobicContact CG-CB 4.49Å; E98-V124 HydrophobicContact CG-CG2 4.09Å; A101-V124 HydrophobicContact CB-CG2 4.26Å
125	V	90.1	Very high	78.5	Confident	2 Å²	2	62 Å²	62	1%	0.012	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	123.4	176.2	179.2	0	0	0	0	108.1	Y67 I68 D69 V70 L252 L297	Y67-V125 HydrophobicContact CD2-CG2 4.08Å; I68-V125 PolarHBondContact O-N 3Å; D69-V125 CarbonylContact C-O 3.43Å; D69-V125 WeakPolarHBondContact CA-O 3.37Å; D69-V125 WeakPolarHBondContact OD1-CB 3.41Å; V70-V125 PolarHBondContact N-O 2.7Å; V125-L252 HydrophobicContact CG2-CD2 4.42Å; V125-L297 WeakPolarHBondContact CA-O 3.4Å
126	I	88.8	Confident	80	Confident	3 Å²	3	60 Å²	60	2%	0.015	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	127.5	-179.1	-59.5	178.3	0	0	0	109.8	L86 L94 I265 L297 G298	L86-I126 HydrophobicContact CD1-CD1 4.49Å; L86-I126 HydrophobicContact CD2-CD1 4.19Å; L94-I126 HydrophobicContact CD2-CD1 3.86Å; I126-I265 HydrophobicContact CB-CG2 4.41Å; I126-I265 HydrophobicContact CG2-CG2 4.25Å; I126-I265 WeakPolarHBondContact O-CD1 3.5Å; I126-L297 HydrophobicContact CD1-CD1 4.11Å; I126-G298 WeakPolarHBondContact O-CA 3.37Å
127	M	85.9	Confident	81.6	Confident	46 Å²	46	52.9 Å²	52.9	23%	0.227	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	145.2	170.9	-59.9	-160.6	-64.6	0	0	110.5	D69 V70 H71 L72	D69-M127 HydrophobicContact CB-CE 3.68Å; D69-M127 HydrophobicContact CB-CG 4.49Å; D69-M127 HydrophobicContact CB-SD 4.32Å; V70-M127 PolarHBondContact O-N 2.75Å; H71-M127 CarbonylContact C-O 3.57Å; H71-M127 WeakPolarHBondContact CA-O 3.46Å; H71-M127 WeakPolarHBondContact CE1-CE 3.29Å; H71-M127 WeakPolarHBondContact NE2-CE 3.42Å; L72-M127 PolarHBondContact N-O 3.44Å
128	S	83.6	Confident	82.8	Confident	7 Å²	7	46.3 Å²	46.3	5%	0.049	25%	0.252	C	S	.	.			trans	-150.1	140.8	177.5	175.6	0	0	0	0	109.8	E130 K148	S128-E130 VanDerWaalsContact C-N 3.32Å; S128-E130 WeakPolarHBondContact OG-CB 3.5Å; S128-E130 VanDerWaalsContact OG-CG 3.26Å; S128-E130 WeakPolarHBondContact OG-CG 3.31Å; S128-E130 PolarHBondContact OG-N 3.15Å; S128-K148 PolarHBondContact O-NZ 3.46Å
129	S	78.3	Confident	84	Confident	62 Å²	62	47.9 Å²	47.9	43%	0.434	25%	0.249	S	C	.	.			trans	-81.6	-8.5	174	62.8	0	0	0	0	112.9	E73	E73-S129 WeakPolarHBondContact OE1-CB 3.33Å; E73-S129 PolarHBondContact OE1-OG 2.78Å
130	E	81.5	Confident	84.9	Confident	76 Å²	76	50.8 Å²	50.8	36%	0.355	27%	0.272	S	S	.	.	S	Bend	trans	-53.7	155.3	-172.5	-75.3	171.8	-149.4	0	0	113.4	L72 R87 S128 K148	L72-E130 WeakPolarHBondContact CD2-OE1 3.47Å; R87-E130 IonicContact CZ-OE1 3.05Å; R87-E130 IonicContact NE-OE1 3.63Å; R87-E130 IonicContact NH2-OE1 3.39Å; R87-E130 PolarHBondContact NH2-OE1 3.08Å; S128-E130 VanDerWaalsContact C-N 3.32Å; S128-E130 WeakPolarHBondContact OG-CB 3.5Å; S128-E130 VanDerWaalsContact OG-CG 3.26Å; S128-E130 WeakPolarHBondContact OG-CG 3.31Å; S128-E130 PolarHBondContact OG-N 3.15Å; E130-K148 VanDerWaalsContact O-CD 3.23Å; E130-K148 WeakPolarHBondContact O-CD 3.35Å; E130-K148 VanDerWaalsContact O-CE 3.27Å; E130-K148 WeakPolarHBondContact O-CE 3.35Å; E130-K148 PolarHBondContact O-NZ 3.48Å
131	L	82.1	Confident	85.6	Confident	162 Å²	162	54.8 Å²	54.8	85%	0.848	29%	0.285	S	S	*	.	P	Polyproline II helix	trans	-60.8	128.4	176.4	-71.1	167	0	0	0	110.3
132	P	84.1	Confident	85.8	Confident	49 Å²	49	52.4 Å²	52.4	32%	0.318	27%	0.272	S	S	.	.	P	Polyproline II helix	trans	-67.9	150.3	178	32.3	-38.2	0	0	0	110.7	K148 R150 F263	P132-K148 HydrophobicContact CB-CG 4.45Å; P132-R150 HydrophobicContact CB-CB 3.83Å; P132-R150 HydrophobicContact CG-CB 4.2Å; P132-F263 HydrophobicContact CB-CD1 4.11Å; P132-F263 HydrophobicContact CB-CE1 4.13Å; P132-F263 HydrophobicContact CG-CD1 4.41Å; P132-F263 HydrophobicContact CG-CE1 3.94Å
133	R	85.1	Confident	86	Confident	128 Å²	128	54.9 Å²	54.9	48%	0.483	29%	0.285	S	S	.	.	B	Isolated β-bridge	trans	-96.2	146.2	169.8	-66.5	-171.8	-178.6	-173	0.1	110.2	Q142 K148 L149	R133-Q142 VanDerWaalsContact NH1-CD 3.31Å; R133-K148 PolarHBondContact N-O 2.98Å; R133-L149 HydrophobicContact CB-CD2 4.47Å; R133-L149 WeakPolarHBondContact O-CD2 2.91Å
134	S	84.7	Confident	86	Confident	39 Å²	39	58 Å²	58	27%	0.273	30%	0.304	S	S	.	.	P	Polyproline II helix	trans	-74.4	149.3	170.8	63.6	0	0	0	0	110.4	R136 S137	S134-R136 PolarHBondContact O-N 3.35Å; S134-S137 PolarHBondContact O-N 3.37Å; S134-S137 PolarHBondContact O-OG 3.31Å
135	I	87.9	Confident	86	Confident	11 Å²	11	64.3 Å²	64.3	6%	0.056	33%	0.328	C	S	.	.	G	3₁₀ helix	trans	-61	-29.9	179.6	-67.6	158.4	0	0	0	110.9	S137 L138 L149 L228 E230 M244	I135-S137 VanDerWaalsContact C-N 3.29Å; I135-S137 PolarHBondContact O-N 3.12Å; I135-L138 HydrophobicContact CB-CD1 4.46Å; I135-L138 HydrophobicContact CG2-CD1 4.29Å; I135-L138 VanDerWaalsContact O-CB 3.27Å; I135-L138 WeakPolarHBondContact O-CB 3.27Å; I135-L138 WeakPolarHBondContact O-CG 3.48Å; I135-L138 PolarHBondContact O-N 2.83Å; I135-L149 HydrophobicContact CG1-CD2 4.4Å; I135-L228 HydrophobicContact CD1-CD2 3.94Å; I135-L228 HydrophobicContact CD1-CG 4.15Å; I135-E230 HydrophobicContact CB-CG 3.63Å; I135-E230 WeakPolarHBondContact CB-OE1 3.44Å; I135-E230 HydrophobicContact CD1-CG 3.61Å; I135-E230 HydrophobicContact CG1-CG 4.06Å; I135-E230 HydrophobicContact CG2-CG 4.35Å; I135-E230 WeakPolarHBondContact CG2-OE1 3.35Å; I135-M244 HydrophobicContact CD1-CB 4.42Å; I135-M244 HydrophobicContact CG2-CB 4.4Å; I135-M244 HydrophobicContact CG2-CE 4.4Å
136	R	85.9	Confident	86	Confident	53 Å²	53	65.7 Å²	65.7	20%	0.2	34%	0.335	C	S	.	.	G	3₁₀ helix	trans	-62.2	-30.7	174	-53.9	-171	163.2	-101.7	0.6	114.4	S134 L138 E230 E239 L240	S134-R136 PolarHBondContact O-N 3.35Å; R136-L138 PolarHBondContact O-N 3.3Å; R136-E230 WeakPolarHBondContact CG-OE1 3.39Å; R136-E230 IonicContact CZ-OE2 3.68Å; R136-E230 PolarHBondContact N-OE1 2.91Å; R136-E230 IonicContact NE-OE1 3.09Å; R136-E230 IonicContact NE-OE2 2.8Å; R136-E230 PolarHBondContact NE-OE2 2.84Å; R136-E230 IonicContact NH2-OE2 2.79Å; R136-E239 IonicContact CZ-OE2 2.73Å; R136-E239 IonicContact NH1-OE1 2.62Å; R136-E239 IonicContact NH1-OE2 3.33Å; R136-E239 PolarHBondContact NH1-OE2 3.35Å; R136-E239 IonicContact NH2-OE2 3.41Å; R136-E239 PolarHBondContact NH2-OE2 3.5Å; R136-L240 PolarHBondContact NH2-O 2.99Å
137	S	87.4	Confident	86.2	Confident	41 Å²	41	65.9 Å²	65.9	29%	0.287	34%	0.336	S	S	.	.	G	3₁₀ helix	trans	-79.7	-6.1	179.8	74	0	0	0	0	113.4	S134 I135 K139 Q142	S134-S137 PolarHBondContact O-N 3.37Å; S134-S137 PolarHBondContact O-OG 3.31Å; I135-S137 VanDerWaalsContact C-N 3.29Å; I135-S137 PolarHBondContact O-N 3.12Å; S137-K139 PolarHBondContact O-N 3.15Å; S137-Q142 PolarHBondContact O-NE2 3.4Å
138	L	86.4	Confident	86.4	Confident	20 Å²	20	64.7 Å²	64.7	11%	0.105	33%	0.33	C	S	.	.			trans	-71.3	97.4	175.2	-67	174.6	0	0	0	110.3	I135 R136 V147 L149 M244 Y268	I135-L138 HydrophobicContact CB-CD1 4.46Å; I135-L138 HydrophobicContact CG2-CD1 4.29Å; I135-L138 VanDerWaalsContact O-CB 3.27Å; I135-L138 WeakPolarHBondContact O-CB 3.27Å; I135-L138 WeakPolarHBondContact O-CG 3.48Å; I135-L138 PolarHBondContact O-N 2.83Å; R136-L138 PolarHBondContact O-N 3.3Å; L138-V147 HydrophobicContact CD2-CB 4.34Å; L138-V147 HydrophobicContact CD2-CG1 4.11Å; L138-V147 HydrophobicContact CD2-CG2 4.29Å; L138-L149 HydrophobicContact CD1-CD1 3.84Å; L138-L149 HydrophobicContact CD1-CD2 3.83Å; L138-L149 HydrophobicContact CD1-CG 4.48Å; L138-L149 HydrophobicContact CD2-CD2 3.88Å; L138-L149 HydrophobicContact CG-CD2 3.96Å; L138-M244 HydrophobicContact CD1-CE 3.91Å; L138-Y268 HydrophobicContact CD1-CD2 4.5Å; L138-Y268 HydrophobicContact CD1-CE2 4.41Å
139	K	87.9	Confident	86.8	Confident	131 Å²	131	64.4 Å²	64.4	57%	0.57	33%	0.328	S	S	*	.			trans	-99.8	170.4	173.3	-65.1	-177.7	-179.1	178.8	0	111.2	S137 E141 Q142	S137-K139 PolarHBondContact O-N 3.15Å; K139-E141 PolarHBondContact O-N 3.38Å; K139-Q142 PolarHBondContact O-N 3.11Å; K139-Q142 VanDerWaalsContact O-N 3.13Å
140	S	86.5	Confident	87.2	Confident	91 Å²	91	63 Å²	63	64%	0.636	31%	0.313	S	S	*	.	G	3₁₀ helix	trans	-56.6	-29.2	175.8	48.2	0	0	0	0	113.7	Q142 I143	S140-Q142 PolarHBondContact O-N 2.89Å; S140-Q142 VanDerWaalsContact O-N 3.15Å; S140-I143 WeakPolarHBondContact O-CB 3.25Å; S140-I143 WeakPolarHBondContact O-CD1 3.27Å; S140-I143 WeakPolarHBondContact O-CG1 3.49Å; S140-I143 PolarHBondContact O-N 3.33Å; S140-I143 VanDerWaalsContact O-N 3.11Å
141	E	87.8	Confident	87.5	Confident	143 Å²	143	59.4 Å²	59.4	67%	0.668	30%	0.296	S	S	*	.	G	3₁₀ helix	trans	-59.8	-23.3	177.2	-65.3	170.3	-160.2	0	0	114.1	K139	K139-E141 PolarHBondContact O-N 3.38Å
142	Q	86.7	Confident	87.6	Confident	20 Å²	20	51.9 Å²	51.9	9%	0.093	26%	0.257	C	S	.	.	G	3₁₀ helix	trans	-95.6	0.4	-177.8	-61.4	174	11.3	0	0	112.6	R133 S137 K139 S140 T144 R145 V147	R133-Q142 VanDerWaalsContact NH1-CD 3.31Å; S137-Q142 PolarHBondContact O-NE2 3.4Å; K139-Q142 PolarHBondContact O-N 3.11Å; K139-Q142 VanDerWaalsContact O-N 3.13Å; S140-Q142 PolarHBondContact O-N 2.89Å; S140-Q142 VanDerWaalsContact O-N 3.15Å; Q142-T144 PolarHBondContact O-N 3.43Å; Q142-R145 WeakPolarHBondContact O-CB 3.47Å; Q142-R145 PolarHBondContact O-N 2.69Å; Q142-R145 VanDerWaalsContact O-N 3.09Å; Q142-V147 HydrophobicContact CB-CG1 4.22Å
143	I	87.9	Confident	87.7	Confident	56 Å²	56	49.7 Å²	49.7	29%	0.287	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.8	137.8	174.3	-67.1	168.8	0	0	0	108.6	S140 R145 Y268 V270	S140-I143 WeakPolarHBondContact O-CB 3.25Å; S140-I143 WeakPolarHBondContact O-CD1 3.27Å; S140-I143 WeakPolarHBondContact O-CG1 3.49Å; S140-I143 PolarHBondContact O-N 3.33Å; S140-I143 VanDerWaalsContact O-N 3.11Å; I143-R145 PolarHBondContact O-N 3.03Å; I143-R145 VanDerWaalsContact O-N 3.14Å; I143-Y268 HydrophobicContact CB-CD1 4.41Å; I143-Y268 HydrophobicContact CG1-CD1 3.7Å; I143-Y268 HydrophobicContact CG1-CE1 3.74Å; I143-V270 HydrophobicContact CD1-CG1 4.26Å
144	T	88.5	Confident	87.5	Confident	74 Å²	74	44.9 Å²	44.9	45%	0.454	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	63.6	3.2	-175.7	58.1	0	0	0	0	116.6	P90 Q142 Y268	P90-T144 WeakPolarHBondContact CD-O 3.35Å; P90-T144 WeakPolarHBondContact CG-O 3.37Å; Q142-T144 PolarHBondContact O-N 3.43Å; T144-Y268 PolarHBondContact N-O 3.36Å
145	R	89.3	Confident	87.3	Confident	137 Å²	137	43.5 Å²	43.5	52%	0.517	22%	0.217	S	C	.	.	S	Bend	trans	-94.2	158.8	174.7	-63.6	-174.9	179.1	176.6	0.5	111.8	Q142 I143 Y268	Q142-R145 WeakPolarHBondContact O-CB 3.47Å; Q142-R145 PolarHBondContact O-N 2.69Å; Q142-R145 VanDerWaalsContact O-N 3.09Å; I143-R145 PolarHBondContact O-N 3.03Å; I143-R145 VanDerWaalsContact O-N 3.14Å; R145-Y268 PolarHBondContact O-N 3.16Å
146	L	90.8	Very high	87.1	Confident	31 Å²	31	45.1 Å²	45.1	16%	0.162	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71	126.2	170.6	-166.3	75	0	0	0	109.5	L72 R87 I265 L297	L72-L146 HydrophobicContact CD2-CD2 4.07Å; R87-L146 PolarHBondContact O-N 3.23Å; L146-I265 HydrophobicContact CD1-CG2 3.74Å; L146-I265 HydrophobicContact CD2-CG2 4.28Å; L146-I265 HydrophobicContact CG-CG2 4.05Å; L146-L297 HydrophobicContact CD1-CD1 3.52Å
147	V	91.3	Very high	87.1	Confident	6 Å²	6	45.1 Å²	45.1	4%	0.036	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	142.7	176.7	-64.6	0	0	0	0	110.3	L138 Q142 L149 I265 G266	L138-V147 HydrophobicContact CD2-CB 4.34Å; L138-V147 HydrophobicContact CD2-CG1 4.11Å; L138-V147 HydrophobicContact CD2-CG2 4.29Å; Q142-V147 HydrophobicContact CB-CG1 4.22Å; V147-L149 HydrophobicContact CG2-CD1 4.42Å; V147-L149 HydrophobicContact CG2-CG 4.31Å; V147-I265 WeakPolarHBondContact O-CA 3.29Å; V147-G266 WeakPolarHBondContact CG2-O 3.34Å; V147-G266 PolarHBondContact N-O 3.35Å; V147-G266 PolarHBondContact O-N 3.02Å
148	K	91.6	Very high	86.9	Confident	22 Å²	22	51.4 Å²	51.4	10%	0.096	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	120.8	169.2	-175.3	174.5	172.8	-176.6	0	108.8	S128 E130 P132 R133 I264 I265	S128-K148 PolarHBondContact O-NZ 3.46Å; E130-K148 VanDerWaalsContact O-CD 3.23Å; E130-K148 WeakPolarHBondContact O-CD 3.35Å; E130-K148 VanDerWaalsContact O-CE 3.27Å; E130-K148 WeakPolarHBondContact O-CE 3.35Å; E130-K148 PolarHBondContact O-NZ 3.48Å; P132-K148 HydrophobicContact CB-CG 4.45Å; R133-K148 PolarHBondContact N-O 2.98Å; K148-I264 CarbonylContact C-O 3.56Å; K148-I264 WeakPolarHBondContact CA-O 3.16Å; K148-I265 HydrophobicContact CB-CG1 4.16Å; K148-I265 HydrophobicContact CD-CG1 4.27Å; K148-I265 HydrophobicContact CG-CG1 3.93Å
149	L	91	Very high	87.1	Confident	0 Å²	0	53 Å²	53	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	144.8	-179.1	-63.1	175.1	0	0	0	110.2	R133 I135 L138 V147 L228 F263 I264 V294	R133-L149 HydrophobicContact CB-CD2 4.47Å; R133-L149 WeakPolarHBondContact O-CD2 2.91Å; I135-L149 HydrophobicContact CG1-CD2 4.4Å; L138-L149 HydrophobicContact CD1-CD1 3.84Å; L138-L149 HydrophobicContact CD1-CD2 3.83Å; L138-L149 HydrophobicContact CD1-CG 4.48Å; L138-L149 HydrophobicContact CD2-CD2 3.88Å; L138-L149 HydrophobicContact CG-CD2 3.96Å; V147-L149 HydrophobicContact CG2-CD1 4.42Å; V147-L149 HydrophobicContact CG2-CG 4.31Å; L149-L228 HydrophobicContact CB-CD2 4.16Å; L149-F263 CarbonylContact O-C 3.57Å; L149-F263 WeakPolarHBondContact O-CA 3.22Å; L149-I264 PolarHBondContact N-O 3.44Å; L149-I264 PolarHBondContact O-N 2.8Å; L149-V294 HydrophobicContact CD1-CG2 3.83Å
150	R	87.9	Confident	87.2	Confident	33 Å²	33	53.8 Å²	53.8	13%	0.125	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	140.1	169	-174.8	-174.8	-172.5	-151.3	-0.4	108.6	P132 T231 E233 F263 E302	P132-R150 HydrophobicContact CB-CB 3.83Å; P132-R150 HydrophobicContact CG-CB 4.2Å; R150-T231 HydrophobicContact CG-CG2 4.41Å; R150-E233 IonicContact NH1-OE2 3.41Å; R150-E233 PolarHBondContact NH1-OE2 3.23Å; R150-E233 IonicContact NH2-OE2 2.61Å; R150-F263 HydrophobicContact CB-CD1 4.01Å; R150-F263 HydrophobicContact CB-CE1 3.82Å; R150-F263 HydrophobicContact CG-CD1 4.1Å; R150-F263 HydrophobicContact CG-CE1 3.57Å; R150-F263 HydrophobicContact CG-CZ 4.13Å; R150-E302 IonicContact NH2-OE1 3.94Å
151	G	86.7	Confident	87.3	Confident	0 Å²	0	54.2 Å²	54.2	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-178.7	179.4	173.7	0	0	0	0	0	113.4	L228 Q229 K261 V262	G151-L228 VanDerWaalsContact C-CD1 3.44Å; G151-Q229 CarbonylContact C-O 3.16Å; G151-Q229 WeakPolarHBondContact CA-O 3.41Å; G151-K261 WeakPolarHBondContact O-CA 3.04Å; G151-V262 PolarHBondContact N-O 3.05Å; G151-V262 VanDerWaalsContact N-O 3.15Å; G151-V262 PolarHBondContact O-N 3.22Å
152	I	84.9	Confident	87.3	Confident	5 Å²	5	48.9 Å²	48.9	3%	0.026	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	133.7	176.5	-61.8	166.6	0	0	0	108.4	V154 L228 Q229 T231 N260 K261 L437	I152-V154 PolarHBondContact O-N 3.32Å; I152-L228 CarbonylContact O-C 3.55Å; I152-Q229 PolarHBondContact N-O 2.8Å; I152-Q229 PolarHBondContact O-N 2.96Å; I152-T231 HydrophobicContact CD1-CG2 4.41Å; I152-T231 HydrophobicContact CG1-CG2 4.26Å; I152-N260 WeakPolarHBondContact CA-O 3.2Å; I152-K261 HydrophobicContact CD1-CG 4.25Å; I152-K261 HydrophobicContact CG1-CG 3.6Å; I152-L437 HydrophobicContact CD1-CD2 3.59Å; I152-L437 HydrophobicContact CG2-CD2 4.23Å
153	I	86.2	Confident	87.3	Confident	2 Å²	2	48.8 Å²	48.8	1%	0.01	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	121	174.4	-69.3	149.9	0	0	0	109	T156 M226 K227 L228 V256 P258 G259 N260 V262	I153-T156 HydrophobicContact CG2-CG2 3.73Å; I153-M226 HydrophobicContact CB-CE 4.42Å; I153-M226 HydrophobicContact CD1-CE 3.27Å; I153-M226 HydrophobicContact CG1-CE 3.82Å; I153-M226 HydrophobicContact CG2-CE 3.83Å; I153-K227 WeakPolarHBondContact CA-O 3.25Å; I153-L228 HydrophobicContact CG1-CD1 4.3Å; I153-V256 HydrophobicContact CD1-CB 3.64Å; I153-V256 HydrophobicContact CD1-CG1 3.22Å; I153-V256 HydrophobicContact CD1-CG2 4.09Å; I153-P258 CarbonylContact O-C 3.46Å; I153-P258 WeakPolarHBondContact O-CA 3.1Å; I153-G259 PolarHBondContact O-N 3.2Å; I153-N260 PolarHBondContact N-O 2.99Å; I153-V262 HydrophobicContact CD1-CB 4.26Å; I153-V262 HydrophobicContact CD1-CG1 3.66Å; I153-V262 HydrophobicContact CD1-CG2 3.54Å; I153-V262 HydrophobicContact CG1-CG2 3.82Å
154	V	81.3	Confident	87.2	Confident	27 Å²	27	48 Å²	48	16%	0.164	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87	-46.7	179.4	179.8	0	0	0	0	110.5	I152 K227 Q229 P258 M430 E431	I152-V154 PolarHBondContact O-N 3.32Å; V154-K227 PolarHBondContact N-O 2.85Å; V154-Q229 HydrophobicContact CG2-CB 3.46Å; V154-Q229 VanDerWaalsContact CG2-CB 3.46Å; V154-Q229 HydrophobicContact CG2-CG 4.3Å; V154-P258 WeakPolarHBondContact O-CB 3.15Å; V154-M430 VanDerWaalsContact O-O 3.05Å; V154-E431 HydrophobicContact CG1-CG 4.21Å
155	S	79.6	Confident	87.2	Confident	10 Å²	10	45.6 Å²	45.6	7%	0.07	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	143.5	-175.5	69.5	0	0	0	0	111	M226 K227	S155-M226 CarbonylContact O-C 3.58Å; S155-M226 WeakPolarHBondContact O-CA 2.98Å; S155-K227 PolarHBondContact O-N 2.83Å; S155-K227 WeakPolarHBondContact OG-CB 3.49Å; S155-K227 VanDerWaalsContact OG-CD 3.29Å; S155-K227 WeakPolarHBondContact OG-CD 3.39Å; S155-K227 WeakPolarHBondContact OG-CG 3.33Å
156	T	83.7	Confident	87.2	Confident	46 Å²	46	39.4 Å²	39.4	28%	0.282	20%	0.204	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	140.9	169.3	56.8	0	0	0	0	108.8	I153 M226	I153-T156 HydrophobicContact CG2-CG2 3.73Å; T156-M226 HydrophobicContact CG2-CB 4.32Å; T156-M226 HydrophobicContact CG2-CE 3.65Å; T156-M226 HydrophobicContact CG2-CG 3.88Å; T156-M226 HydrophobicContact CG2-SD 4.47Å
157	T	85	Confident	87.1	Confident	52 Å²	52	38 Å²	38	32%	0.319	20%	0.198	S	C	.	.	P	Polyproline II helix	trans	-80.7	161.4	169.4	65.1	0	0	0	0	110	Q224 M225	T157-Q224 WeakPolarHBondContact O-CG 3.35Å; T157-Q224 PolarHBondContact O-NE2 3.27Å; T157-M225 HydrophobicContact CG2-CB 3.83Å; T157-M225 PolarHBondContact N-O 2.94Å; T157-M225 PolarHBondContact OG1-N 2.87Å; T157-M225 PolarHBondContact OG1-O 2.85Å
158	Q	85.1	Confident	87	Confident	174 Å²	174	37.8 Å²	37.8	81%	0.813	20%	0.196	S	C	*	.	P	Polyproline II helix	trans	-59.8	149.4	163.3	-67.3	176.1	-7.6	0	0	110.2
159	V	89.4	Confident	86.8	Confident	52 Å²	52	38 Å²	38	32%	0.315	20%	0.198	S	C	.	.	P	Polyproline II helix	trans	-63.2	135.7	176.6	-178.3	0	0	0	0	109.6	D222 D254	V159-D222 HydrophobicContact CG1-CB 3.65Å; V159-D254 WeakPolarHBondContact CG2-OD2 3.46Å
160	R	89.5	Confident	86.5	Confident	149 Å²	149	38 Å²	38	56%	0.562	20%	0.198	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-126.9	162.2	177.5	-67.8	-176.4	-173.8	-175.8	1.8	109.5	F223	R160-F223 HydrophobicContact CB-CD1 3.89Å; R160-F223 HydrophobicContact CB-CE1 3.29Å; R160-F223 HydrophobicContact CB-CE2 4.08Å; R160-F223 HydrophobicContact CB-CZ 3.41Å; R160-F223 VanDerWaalsContact CB-CZ 3.41Å; R160-F223 HydrophobicContact CG-CZ 4.25Å; R160-F223 PolarHBondContact N-O 3.44Å; R160-F223 WeakPolarHBondContact O-CD1 3.3Å; R160-F223 PolarHBondContact O-N 3.37Å
161	T	89.2	Confident	86.3	Confident	100 Å²	100	44 Å²	44	61%	0.613	22%	0.22	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-97.6	131.7	179.9	52.8	0	0	0	0	111.4	F223	T161-F223 WeakPolarHBondContact O-CE1 3.44Å
162	K	87.8	Confident	86	Confident	31 Å²	31	47.5 Å²	47.5	14%	0.135	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	132.8	172.2	-179.6	-175.7	174.3	-163.3	0	108.6	Q183 G185 C220 I221 F223 Y247	K162-Q183 PolarHBondContact NZ-O 2.97Å; K162-G185 VanDerWaalsContact CE-O 3.3Å; K162-G185 WeakPolarHBondContact CE-O 3.46Å; K162-G185 PolarHBondContact NZ-O 3.35Å; K162-C220 CarbonylContact O-C 3.51Å; K162-C220 WeakPolarHBondContact O-CA 3.31Å; K162-I221 HydrophobicContact CB-CG1 4.35Å; K162-I221 PolarHBondContact N-O 2.87Å; K162-I221 WeakPolarHBondContact O-CG1 3.24Å; K162-I221 PolarHBondContact O-N 3.1Å; K162-F223 HydrophobicContact CB-CB 4.45Å; K162-F223 HydrophobicContact CB-CD1 3.44Å; K162-F223 VanDerWaalsContact CB-CD1 3.44Å; K162-F223 HydrophobicContact CB-CE1 3.94Å; K162-F223 HydrophobicContact CB-CG 4.2Å; K162-Y247 WeakPolarHBondContact CD-OH 3.4Å
163	A	87.2	Confident	85.7	Confident	17 Å²	17	48.7 Å²	48.7	14%	0.14	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	138.3	173	0	0	0	0	0	112	I166 M182 C218 R219	A163-I166 HydrophobicContact CB-CG2 3.81Å; A163-M182 HydrophobicContact CB-CE 3.17Å; A163-M182 WeakPolarHBondContact O-CE 3.38Å; A163-C218 HydrophobicContact CB-CB 4.47Å; A163-R219 CarbonylContact C-O 3.34Å; A163-R219 VanDerWaalsContact CA-O 3.28Å; A163-R219 WeakPolarHBondContact CA-O 3.31Å
164	T	85.4	Confident	85.4	Confident	40 Å²	40	54.4 Å²	54.4	25%	0.245	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	-43.7	172.3	-56.7	0	0	0	0	110.1	M182 R219 I221	T164-M182 PolarHBondContact O-N 3.14Å; T164-R219 PolarHBondContact N-O 3.35Å; T164-I221 WeakPolarHBondContact OG1-CG2 3.33Å
165	T	88.5	Confident	85.4	Confident	23 Å²	23	58.1 Å²	58.1	14%	0.141	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	136.9	172.9	61.4	0	0	0	0	109.9	V180 C218 R219	T165-V180 WeakPolarHBondContact CA-O 3.49Å; T165-C218 WeakPolarHBondContact O-CA 3.43Å; T165-R219 PolarHBondContact O-N 3.28Å; T165-R219 VanDerWaalsContact O-N 3.16Å; T165-R219 WeakPolarHBondContact OG1-CB 3.36Å; T165-R219 WeakPolarHBondContact OG1-CG 3.44Å
166	I	88.7	Confident	85.6	Confident	7 Å²	7	63.3 Å²	63.3	4%	0.036	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	143.4	174.6	61.4	-179.4	0	0	0	109.8	A163 L168 V180 M182 Y189 I213	A163-I166 HydrophobicContact CB-CG2 3.81Å; I166-L168 HydrophobicContact CD1-CD2 4.13Å; I166-L168 HydrophobicContact CG1-CD2 4.47Å; I166-V180 HydrophobicContact CG1-CB 3.85Å; I166-V180 HydrophobicContact CG1-CG1 4.29Å; I166-V180 PolarHBondContact N-O 3.01Å; I166-V180 PolarHBondContact O-N 2.8Å; I166-M182 HydrophobicContact CD1-CG 4.28Å; I166-M182 HydrophobicContact CD1-SD 4.24Å; I166-M182 HydrophobicContact CG1-CG 4.42Å; I166-M182 HydrophobicContact CG2-CE 3.36Å; I166-M182 HydrophobicContact CG2-CG 4.39Å; I166-M182 HydrophobicContact CG2-SD 4.14Å; I166-Y189 HydrophobicContact CD1-CD1 3.74Å; I166-Y189 HydrophobicContact CD1-CE1 4.26Å; I166-Y189 HydrophobicContact CD1-CG 4.17Å; I166-I213 HydrophobicContact CB-CG2 4.33Å; I166-I213 HydrophobicContact CG2-CG2 4.44Å
167	S	89.6	Confident	85.5	Confident	3 Å²	3	63.5 Å²	63.5	2%	0.021	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	130	169.6	-64.6	0	0	0	0	108.8	I177 L214 K217	S167-I177 WeakPolarHBondContact CA-O 3.39Å; S167-L214 PolarHBondContact O-N 3.46Å; S167-K217 WeakPolarHBondContact OG-CB 3.39Å
168	L	88.2	Confident	85.3	Confident	0 Å²	0	65.1 Å²	65.1	0%	0	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	138.1	179.7	-55.2	175.9	0	0	0	109.3	I166 R176 I177 V180 Y189 L191 Y211 I212 I213	I166-L168 HydrophobicContact CD1-CD2 4.13Å; I166-L168 HydrophobicContact CG1-CD2 4.47Å; L168-R176 CarbonylContact O-C 3.58Å; L168-R176 VanDerWaalsContact O-CA 3.27Å; L168-R176 WeakPolarHBondContact O-CA 3.49Å; L168-I177 HydrophobicContact CB-CB 4.35Å; L168-I177 PolarHBondContact N-O 3.01Å; L168-I177 PolarHBondContact O-N 3.23Å; L168-V180 HydrophobicContact CD1-CG2 4.25Å; L168-V180 HydrophobicContact CG-CG2 4.47Å; L168-Y189 HydrophobicContact CD1-CE1 4.21Å; L168-L191 HydrophobicContact CD1-CD2 4.07Å; L168-L191 HydrophobicContact CD2-CD2 3.52Å; L168-L191 HydrophobicContact CG-CD2 4.46Å; L168-Y211 HydrophobicContact CB-CD1 3.71Å; L168-Y211 HydrophobicContact CB-CE1 4.29Å; L168-Y211 HydrophobicContact CB-CG 4.38Å; L168-I212 CarbonylContact C-O 3.57Å; L168-I212 WeakPolarHBondContact CA-O 3.43Å; L168-I213 HydrophobicContact CD2-CB 4.44Å; L168-I213 HydrophobicContact CD2-CG1 3.67Å
169	E	87.5	Confident	85	Confident	28 Å²	28	61.7 Å²	61.7	13%	0.131	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	131.7	171.5	-173.6	170	149.5	0	0	109.6	H174 R176 I212 L214	E169-H174 IonicContact OE1-CE1 3.73Å; E169-H174 IonicContact OE1-CG 3.75Å; E169-H174 IonicContact OE1-ND1 2.88Å; E169-H174 PolarHBondContact OE1-ND1 2.78Å; E169-R176 HydrophobicContact CB-CG 4.21Å; E169-R176 HydrophobicContact CG-CG 3.99Å; E169-R176 IonicContact OE2-CZ 3.69Å; E169-R176 IonicContact OE2-NE 3.43Å; E169-R176 PolarHBondContact OE2-NE 2.77Å; E169-R176 IonicContact OE2-NH2 2.79Å; E169-R176 PolarHBondContact OE2-NH2 3.39Å; E169-I212 PolarHBondContact N-O 3.41Å; E169-I212 PolarHBondContact O-N 3.11Å; E169-L214 HydrophobicContact CB-CD1 3.94Å; E169-L214 HydrophobicContact CB-CD2 4.13Å; E169-L214 HydrophobicContact CB-CG 3.89Å; E169-L214 WeakPolarHBondContact OE2-CD1 3.44Å
170	C	84.8	Confident	84.7	Confident	0 Å²	0	60 Å²	60	0%	0	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.4	130.9	173.2	-175.6	0	0	0	0	110.4	N172 C173 H174 Q175 Y211	C170-N172 VanDerWaalsContact C-N 3.31Å; C170-N172 PolarHBondContact O-N 2.76Å; C170-C173 WeakPolarHBondContact CB-SG 3.41Å; C170-C173 PolarHBondContact SG-SG 3.17Å; C170-H174 VanDerWaalsContact O-CA 3.25Å; C170-H174 WeakPolarHBondContact O-CA 3.17Å; C170-H174 PolarHBondContact O-N 3.03Å; C170-Q175 PolarHBondContact N-O 3.38Å; C170-Y211 HydrophobicContact CB-CD1 4.46Å; C170-Y211 HydrophobicContact CB-CE1 4.21Å
171	R	83.7	Confident	84.2	Confident	158 Å²	158	57.3 Å²	57.3	60%	0.596	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.8	-36.5	179.9	-75	176.2	-174.7	-150.8	-6.7	114.7	P210 I212	R171-P210 WeakPolarHBondContact CG-O 3.34Å; R171-P210 PolarHBondContact N-O 3.46Å; R171-I212 HydrophobicContact CG-CD1 3.37Å; R171-I212 HydrophobicContact CG-CG1 3.66Å; R171-I212 VanDerWaalsContact NE-CD1 3.27Å
172	N	80.6	Confident	83.7	Confident	74 Å²	74	54.5 Å²	54.5	40%	0.396	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.3	-45.6	-170	-71.4	22	0	0	0	112.8	C170 P207	C170-N172 VanDerWaalsContact C-N 3.31Å; C170-N172 PolarHBondContact O-N 2.76Å; N172-P207 VanDerWaalsContact ND2-CD 3.27Å; N172-P207 WeakPolarHBondContact ND2-CD 3.41Å
173	C	79.2	Confident	83.1	Confident	29 Å²	29	59.7 Å²	59.7	20%	0.196	30%	0.297	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.6	-3.4	-178.3	65.8	0	0	0	0	113.6	C170 Q175 C195	C170-C173 WeakPolarHBondContact CB-SG 3.41Å; C170-C173 PolarHBondContact SG-SG 3.17Å; C173-Q175 PolarHBondContact O-N 3.32Å; C173-C195 PolarHBondContact SG-SG 3.34Å
174	H	80.1	Confident	82.3	Confident	122 Å²	122	61.4 Å²	61.4	57%	0.565	31%	0.306	S	S	*	.			trans	53.8	12.9	-175.5	-65.5	-72.6	0	0	0	115.2	E169 C170 R176	E169-H174 IonicContact OE1-CE1 3.73Å; E169-H174 IonicContact OE1-CG 3.75Å; E169-H174 IonicContact OE1-ND1 2.88Å; E169-H174 PolarHBondContact OE1-ND1 2.78Å; C170-H174 VanDerWaalsContact O-CA 3.25Å; C170-H174 WeakPolarHBondContact O-CA 3.17Å; C170-H174 PolarHBondContact O-N 3.03Å; H174-R176 PolarHBondContact O-N 3.06Å
175	Q	81.3	Confident	81.6	Confident	106 Å²	106	59.6 Å²	59.6	50%	0.495	30%	0.295	S	S	.	.			trans	-66.8	124.3	176.2	-169.6	68.2	11.3	0	0	109	C170 C173	C170-Q175 PolarHBondContact N-O 3.38Å; C173-Q175 PolarHBondContact O-N 3.32Å
176	R	83	Confident	80.8	Confident	119 Å²	119	60.6 Å²	60.6	45%	0.449	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	133	178.9	-65.5	178.2	173.6	158.6	-0.1	110.6	L168 E169 H174	L168-R176 CarbonylContact O-C 3.58Å; L168-R176 VanDerWaalsContact O-CA 3.27Å; L168-R176 WeakPolarHBondContact O-CA 3.49Å; E169-R176 HydrophobicContact CB-CG 4.21Å; E169-R176 HydrophobicContact CG-CG 3.99Å; E169-R176 IonicContact OE2-CZ 3.69Å; E169-R176 IonicContact OE2-NE 3.43Å; E169-R176 PolarHBondContact OE2-NE 2.77Å; E169-R176 IonicContact OE2-NH2 2.79Å; E169-R176 PolarHBondContact OE2-NH2 3.39Å; H174-R176 PolarHBondContact O-N 3.06Å
177	I	82.8	Confident	80	Confident	50 Å²	50	62.5 Å²	62.5	26%	0.256	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	100	164.3	-56.3	177.4	0	0	0	105.5	S167 L168 V180 P196 Y211	S167-I177 WeakPolarHBondContact CA-O 3.39Å; L168-I177 HydrophobicContact CB-CB 4.35Å; L168-I177 PolarHBondContact N-O 3.01Å; L168-I177 PolarHBondContact O-N 3.23Å; I177-V180 HydrophobicContact CG2-CG2 3.64Å; I177-P196 HydrophobicContact CD1-CG 4.26Å; I177-Y211 HydrophobicContact CD1-CE1 3.82Å; I177-Y211 VanDerWaalsContact CD1-OH 3.28Å; I177-Y211 WeakPolarHBondContact CD1-OH 3.44Å; I177-Y211 HydrophobicContact CG1-CE1 4.28Å
178	N	80.7	Confident	79.1	Confident	86 Å²	86	65.9 Å²	65.9	46%	0.46	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	154.6	179.1	-61.2	-21	0	0	0	110.2	V180	N178-V180 PolarHBondContact O-N 3.4Å
179	D	77.9	Confident	78.6	Confident	102 Å²	102	70.4 Å²	70.4	55%	0.545	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	54.7	47	166.2	-59.1	-44.6	0	0	0	115.6	P181	D179-P181 WeakPolarHBondContact O-CD 3.47Å
180	V	82.4	Confident	78.2	Confident	16 Å²	16	76.5 Å²	76.5	10%	0.097	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72	114.3	167.7	-179.9	0	0	0	0	108.5	T165 I166 L168 I177 N178 M182 Y189	T165-V180 WeakPolarHBondContact CA-O 3.49Å; I166-V180 HydrophobicContact CG1-CB 3.85Å; I166-V180 HydrophobicContact CG1-CG1 4.29Å; I166-V180 PolarHBondContact N-O 3.01Å; I166-V180 PolarHBondContact O-N 2.8Å; L168-V180 HydrophobicContact CD1-CG2 4.25Å; L168-V180 HydrophobicContact CG-CG2 4.47Å; I177-V180 HydrophobicContact CG2-CG2 3.64Å; N178-V180 PolarHBondContact O-N 3.4Å; V180-M182 PolarHBondContact O-N 3.17Å; V180-Y189 HydrophobicContact CG1-CD2 4.3Å; V180-Y189 HydrophobicContact CG1-CE1 4.02Å; V180-Y189 HydrophobicContact CG1-CE2 3.59Å; V180-Y189 VanDerWaalsContact CG1-CZ 3.42Å; V180-Y189 WeakPolarHBondContact CG1-OH 3.32Å
181	P	80.8	Confident	78.1	Confident	92 Å²	92	79.9 Å²	79.9	60%	0.597	41%	0.409	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-75.5	126.8	179.3	30.9	-32.8	0	0	0	109.8	D179	D179-P181 WeakPolarHBondContact O-CD 3.47Å
182	M	78.7	Confident	77.9	Confident	41 Å²	41	74.4 Å²	74.4	20%	0.202	39%	0.393	C	S	.	.	P	Polyproline II helix	trans	-82.9	139.1	171.5	-70.5	-153.1	-86.3	0	0	110.5	A163 T164 I166 V180	A163-M182 HydrophobicContact CB-CE 3.17Å; A163-M182 WeakPolarHBondContact O-CE 3.38Å; T164-M182 PolarHBondContact O-N 3.14Å; I166-M182 HydrophobicContact CD1-CG 4.28Å; I166-M182 HydrophobicContact CD1-SD 4.24Å; I166-M182 HydrophobicContact CG1-CG 4.42Å; I166-M182 HydrophobicContact CG2-CE 3.36Å; I166-M182 HydrophobicContact CG2-CG 4.39Å; I166-M182 HydrophobicContact CG2-SD 4.14Å; V180-M182 PolarHBondContact O-N 3.17Å
183	Q	74.3	Confident	77.9	Confident	141 Å²	141	79.2 Å²	79.2	66%	0.659	41%	0.406	S	S	*	.	P	Polyproline II helix	trans	-63.1	139.1	174.3	-69.1	-67.3	-40.6	0	0	109.9	K162	K162-Q183 PolarHBondContact NZ-O 2.97Å
184	P	70.2	Confident	77.9	Confident	53 Å²	53	88.2 Å²	88.2	34%	0.344	44%	0.436	S	S	.	.	S	Bend	trans	-65.9	149.7	176.2	26.9	-32.7	0	0	0	111.2
185	G	70.9	Confident	77.6	Confident	1 Å²	1	83 Å²	83	1%	0.01	41%	0.413	C	S	.	.	S	Bend	trans	101.4	-164.4	-175	0	0	0	0	0	115.8	K162	K162-G185 VanDerWaalsContact CE-O 3.3Å; K162-G185 WeakPolarHBondContact CE-O 3.46Å; K162-G185 PolarHBondContact NZ-O 3.35Å
186	L	71.5	Confident	77.2	Confident	45 Å²	45	82.7 Å²	82.7	24%	0.236	42%	0.42	C	S	.	.	S	Bend	trans	-93.6	11.3	-172.6	-70.3	167	0	0	0	114	M225 Y247 K271 Y293	L186-M225 HydrophobicContact CD1-CE 3.84Å; L186-M225 HydrophobicContact CD1-SD 3.95Å; L186-M225 HydrophobicContact CD2-SD 4.16Å; L186-Y247 HydrophobicContact CD1-CD2 4.33Å; L186-Y247 HydrophobicContact CD2-CD2 3.82Å; L186-Y247 HydrophobicContact CD2-CE2 3.96Å; L186-Y247 HydrophobicContact CG-CD2 3.81Å; L186-Y247 HydrophobicContact CG-CE2 4.22Å; L186-Y247 HydrophobicContact CG-CG 4.49Å; L186-K271 HydrophobicContact CB-CD 4.37Å; L186-K271 HydrophobicContact CB-CG 4.47Å; L186-Y293 HydrophobicContact CB-CE1 4.28Å; L186-Y293 HydrophobicContact CD1-CD1 4.16Å; L186-Y293 HydrophobicContact CD1-CD2 4.14Å; L186-Y293 HydrophobicContact CD1-CE1 4.34Å; L186-Y293 HydrophobicContact CD1-CE2 4.35Å; L186-Y293 HydrophobicContact CD1-CG 4.04Å; L186-Y293 PolarHBondContact N-OH 3.15Å
187	D	72.1	Confident	76.4	Confident	47 Å²	47	78.3 Å²	78.3	25%	0.251	41%	0.408	S	S	.	.	P	Polyproline II helix	trans	-75.8	133.3	176.3	-95.5	7.3	0	0	0	109.7	K272	D187-K272 PolarHBondContact OD1-N 2.94Å; D187-K272 WeakPolarHBondContact OD2-CD 3.36Å; D187-K272 WeakPolarHBondContact OD2-CE 3.04Å; D187-K272 IonicContact OD2-NZ 3.18Å; D187-K272 PolarHBondContact OD2-NZ 3.47Å
188	G	71.4	Confident	75.5	Confident	73 Å²	73	82 Å²	82	75%	0.753	43%	0.428	S	S	*	.	P	Polyproline II helix	trans	-79.7	157.1	174.1	0	0	0	0	0	111.7
189	Y	76.3	Confident	74.5	Confident	95 Å²	95	81 Å²	81	37%	0.373	42%	0.421	S	S	.	.	P	Polyproline II helix	trans	-88.9	129.3	171	-174.2	-103.5	0	0	0	110.3	I166 L168 V180 L191	I166-Y189 HydrophobicContact CD1-CD1 3.74Å; I166-Y189 HydrophobicContact CD1-CE1 4.26Å; I166-Y189 HydrophobicContact CD1-CG 4.17Å; L168-Y189 HydrophobicContact CD1-CE1 4.21Å; V180-Y189 HydrophobicContact CG1-CD2 4.3Å; V180-Y189 HydrophobicContact CG1-CE1 4.02Å; V180-Y189 HydrophobicContact CG1-CE2 3.59Å; V180-Y189 VanDerWaalsContact CG1-CZ 3.42Å; V180-Y189 WeakPolarHBondContact CG1-OH 3.32Å; Y189-L191 HydrophobicContact CD1-CD2 4.34Å; Y189-L191 HydrophobicContact CE1-CD2 4.47Å
190	Q	79.8	Confident	73.5	Confident	156 Å²	156	81.2 Å²	81.2	73%	0.729	43%	0.43	S	S	*	.	P	Polyproline II helix	trans	-84.2	116.9	172.3	-69	-174.5	0.8	0	0	108.9
191	L	82.3	Confident	72.3	Confident	72 Å²	72	84 Å²	84	38%	0.377	46%	0.462	S	S	.	.	P	Polyproline II helix	trans	-62.9	137.4	176.9	-68.7	167.1	0	0	0	110.2	L168 Y189 R193 I213	L168-L191 HydrophobicContact CD1-CD2 4.07Å; L168-L191 HydrophobicContact CD2-CD2 3.52Å; L168-L191 HydrophobicContact CG-CD2 4.46Å; Y189-L191 HydrophobicContact CD1-CD2 4.34Å; Y189-L191 HydrophobicContact CE1-CD2 4.47Å; L191-R193 PolarHBondContact O-N 3.06Å; L191-I213 HydrophobicContact CD2-CG1 4.35Å
192	P	80.1	Confident	71.2	Confident	42 Å²	42	84.3 Å²	84.3	27%	0.273	46%	0.458	S	S	.	.	P	Polyproline II helix	trans	-61.7	134.3	175.5	-19.9	30.9	0	0	0	110.9	Y211	P192-Y211 HydrophobicContact CB-CD2 4.37Å; P192-Y211 HydrophobicContact CB-CE2 3.97Å; P192-Y211 HydrophobicContact CG-CE2 4.4Å; P192-Y211 VanDerWaalsContact O-CD2 3.23Å; P192-Y211 WeakPolarHBondContact O-CD2 3.06Å
193	R	80	Confident	70.1	Confident	175 Å²	175	91.2 Å²	91.2	66%	0.66	50%	0.495	S	S	*	.	S	Bend	trans	-80.5	-19.5	-177.1	-53.3	-157.7	-161.8	-160.5	4.5	114.7	L191 V208 D209	L191-R193 PolarHBondContact O-N 3.06Å; R193-V208 HydrophobicContact CB-CG1 4.1Å; R193-D209 VanDerWaalsContact CA-OD1 3.28Å; R193-D209 WeakPolarHBondContact CA-OD1 3.34Å; R193-D209 WeakPolarHBondContact CB-OD1 3.45Å; R193-D209 VanDerWaalsContact CG-OD1 3.26Å; R193-D209 WeakPolarHBondContact CG-OD1 3.05Å; R193-D209 PolarHBondContact O-N 2.83Å; R193-D209 VanDerWaalsContact O-N 3.14Å
194	R	79.1	Confident	69.6	Low	219 Å²	219	92 Å²	92	83%	0.826	50%	0.498	S	S	*	.	S	Bend	trans	-121.8	138.6	-176.6	-64.6	-177.5	-179.4	179.4	0.2	109.3
195	C	74.2	Confident	69.3	Low	13 Å²	13	99.3 Å²	99.3	9%	0.088	52%	0.519	C	S	.	.			trans	-75.9	133.5	170.9	-163.5	0	0	0	0	109.6	C173 S197 C206 P210 Y211	C173-C195 PolarHBondContact SG-SG 3.34Å; C195-S197 PolarHBondContact O-N 2.95Å; C195-S197 PolarHBondContact SG-OG 3.41Å; C195-C206 HydrophobicContact CB-CB 4.29Å; C195-P210 HydrophobicContact CB-CG 4.41Å; C195-Y211 WeakPolarHBondContact CA-OH 3.34Å
196	P	72.2	Confident	69.2	Low	99 Å²	99	100.2 Å²	100.2	64%	0.643	53%	0.525	S	S	*	.			trans	-77.6	-6	178.2	33.2	-35.3	0	0	0	112.8	I177 D198 Y211	I177-P196 HydrophobicContact CD1-CG 4.26Å; P196-D198 PolarHBondContact O-N 3.13Å; P196-Y211 WeakPolarHBondContact CD-OH 3.13Å
197	S	67.4	Low	69.3	Low	27 Å²	27	101.4 Å²	101.4	19%	0.189	54%	0.535	C	S	.	.	S	Bend	trans	-63	127.3	175.5	61.3	0	0	0	0	109.4	C195 Q199	C195-S197 PolarHBondContact O-N 2.95Å; C195-S197 PolarHBondContact SG-OG 3.41Å; S197-Q199 WeakPolarHBondContact O-CG 3.45Å; S197-Q199 PolarHBondContact O-N 3.09Å
198	D	63.4	Low	69.5	Low	128 Å²	128	104.4 Å²	104.4	68%	0.684	56%	0.555	S	S	*	*			trans	-56.3	111.3	171.4	-170.4	-1.3	0	0	0	108.7	P196 S200	P196-D198 PolarHBondContact O-N 3.13Å; D198-S200 PolarHBondContact O-N 3.2Å; D198-S200 WeakPolarHBondContact OD1-CB 3.36Å; D198-S200 PolarHBondContact OD1-N 2.86Å; D198-S200 PolarHBondContact OD1-OG 3.11Å
199	Q	59.4	Low	69.8	Low	64 Å²	64	105.3 Å²	105.3	30%	0.299	54%	0.543	S	S	.	.			trans	-81.1	11.7	-175.8	-62.6	-170.9	-0.2	0	0	112	S197 G201 R205	S197-Q199 WeakPolarHBondContact O-CG 3.45Å; S197-Q199 PolarHBondContact O-N 3.09Å; Q199-G201 PolarHBondContact O-N 3.25Å; Q199-R205 VanDerWaalsContact OE1-CB 3.28Å
200	S	57.3	Low	70	Confident	106 Å²	106	100.9 Å²	100.9	74%	0.741	53%	0.526	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.7	1.2	-173.7	-66.1	0	0	0	0	115.7	D198	D198-S200 PolarHBondContact O-N 3.2Å; D198-S200 WeakPolarHBondContact OD1-CB 3.36Å; D198-S200 PolarHBondContact OD1-N 2.86Å; D198-S200 PolarHBondContact OD1-OG 3.11Å
201	G	57.7	Low	70.2	Confident	74 Å²	74	94 Å²	94	76%	0.763	49%	0.493	S	S	*	.	T	Hydrogen-bonded Turn	trans	-136.6	0.3	179.8	0	0	0	0	0	116.9	Q199	Q199-G201 PolarHBondContact O-N 3.25Å
202	L	57.6	Low	70.4	Confident	99 Å²	99	94.2 Å²	94.2	52%	0.518	49%	0.494	S	S	.	.			trans	-105.8	124.8	-176.6	-77.1	128.2	0	0	0	111.3	Q204	L202-Q204 PolarHBondContact O-N 2.97Å
203	L	55.3	Low	70.7	Confident	187 Å²	187	95.9 Å²	95.9	98%	0.979	50%	0.5	S	S	*	.	S	Bend	trans	-56.7	-21.2	-179.7	-84	150.5	0	0	0	114.1
204	Q	62.5	Low	71.1	Confident	156 Å²	156	89 Å²	89	73%	0.729	48%	0.476	S	S	*	.	S	Bend	trans	-125.2	114.7	175.4	-78.7	177.1	-19.7	0	0	110.6	L202	L202-Q204 PolarHBondContact O-N 2.97Å
205	R	65.4	Low	71.4	Confident	208 Å²	208	83 Å²	83	79%	0.785	47%	0.465	S	S	*	.	P	Polyproline II helix	trans	-58.6	138.7	170.7	-65.3	-176.6	179.5	171.7	-0.6	109.5	Q199	Q199-R205 VanDerWaalsContact OE1-CB 3.28Å
206	C	69	Low	72.1	Confident	20 Å²	20	89.8 Å²	89.8	14%	0.135	50%	0.501	C	S	.	.	P	Polyproline II helix	trans	-62.3	134.9	175	-63.8	0	0	0	0	109.4	C195 P210	C195-C206 HydrophobicContact CB-CB 4.29Å; C206-P210 HydrophobicContact CB-CB 4.31Å; C206-P210 HydrophobicContact CB-CG 4.19Å
207	P	74	Confident	72.8	Confident	69 Å²	69	89.3 Å²	89.3	45%	0.448	49%	0.488	S	S	.	.	P	Polyproline II helix	trans	-61.7	161.8	175.7	27.2	-34.3	0	0	0	110.6	N172 D209 P210	N172-P207 VanDerWaalsContact ND2-CD 3.27Å; N172-P207 WeakPolarHBondContact ND2-CD 3.41Å; P207-D209 PolarHBondContact O-N 3.16Å; P207-P210 HydrophobicContact CG-CB 4.24Å; P207-P210 VanDerWaalsContact O-CD 3.25Å; P207-P210 WeakPolarHBondContact O-CD 3.42Å
208	V	75.5	Confident	73.6	Confident	110 Å²	110	89.2 Å²	89.2	67%	0.667	49%	0.488	S	S	*	.	S	Bend	trans	-63.2	133.1	169.7	-173.5	0	0	0	0	108.1	R193	R193-V208 HydrophobicContact CB-CG1 4.1Å
209	D	78.3	Confident	74.7	Confident	93 Å²	93	91 Å²	91	50%	0.497	49%	0.485	S	S	.	.	S	Bend	trans	64.1	56.5	-174.9	-50.9	-31.8	0	0	0	115.5	R193 P207 Y211	R193-D209 VanDerWaalsContact CA-OD1 3.28Å; R193-D209 WeakPolarHBondContact CA-OD1 3.34Å; R193-D209 WeakPolarHBondContact CB-OD1 3.45Å; R193-D209 VanDerWaalsContact CG-OD1 3.26Å; R193-D209 WeakPolarHBondContact CG-OD1 3.05Å; R193-D209 PolarHBondContact O-N 2.83Å; R193-D209 VanDerWaalsContact O-N 3.14Å; P207-D209 PolarHBondContact O-N 3.16Å; D209-Y211 VanDerWaalsContact C-N 3.35Å; D209-Y211 PolarHBondContact O-N 3.2Å
210	P	80.2	Confident	76	Confident	1 Å²	1	91.6 Å²	91.6	1%	0.006	50%	0.495	C	S	.	.			trans	-87	2.4	-174.9	37.3	-35	0	0	0	114.2	R171 C195 C206 P207	R171-P210 WeakPolarHBondContact CG-O 3.34Å; R171-P210 PolarHBondContact N-O 3.46Å; C195-P210 HydrophobicContact CB-CG 4.41Å; C206-P210 HydrophobicContact CB-CB 4.31Å; C206-P210 HydrophobicContact CB-CG 4.19Å; P207-P210 HydrophobicContact CG-CB 4.24Å; P207-P210 VanDerWaalsContact O-CD 3.25Å; P207-P210 WeakPolarHBondContact O-CD 3.42Å
211	Y	83.3	Confident	77.6	Confident	13 Å²	13	88.1 Å²	88.1	5%	0.051	47%	0.468	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84	132.3	-172	-73.8	-72.8	0	0	0	113.6	L168 C170 I177 P192 C195 P196 D209	L168-Y211 HydrophobicContact CB-CD1 3.71Å; L168-Y211 HydrophobicContact CB-CE1 4.29Å; L168-Y211 HydrophobicContact CB-CG 4.38Å; C170-Y211 HydrophobicContact CB-CD1 4.46Å; C170-Y211 HydrophobicContact CB-CE1 4.21Å; I177-Y211 HydrophobicContact CD1-CE1 3.82Å; I177-Y211 VanDerWaalsContact CD1-OH 3.28Å; I177-Y211 WeakPolarHBondContact CD1-OH 3.44Å; I177-Y211 HydrophobicContact CG1-CE1 4.28Å; P192-Y211 HydrophobicContact CB-CD2 4.37Å; P192-Y211 HydrophobicContact CB-CE2 3.97Å; P192-Y211 HydrophobicContact CG-CE2 4.4Å; P192-Y211 VanDerWaalsContact O-CD2 3.23Å; P192-Y211 WeakPolarHBondContact O-CD2 3.06Å; C195-Y211 WeakPolarHBondContact CA-OH 3.34Å; P196-Y211 WeakPolarHBondContact CD-OH 3.13Å; D209-Y211 VanDerWaalsContact C-N 3.35Å; D209-Y211 PolarHBondContact O-N 3.2Å
212	I	85.9	Confident	79.2	Confident	75 Å²	75	88.3 Å²	88.3	39%	0.385	45%	0.451	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	141.5	164.9	-62.3	172.6	0	0	0	108.2	L168 E169 R171	L168-I212 CarbonylContact C-O 3.57Å; L168-I212 WeakPolarHBondContact CA-O 3.43Å; E169-I212 PolarHBondContact N-O 3.41Å; E169-I212 PolarHBondContact O-N 3.11Å; R171-I212 HydrophobicContact CG-CD1 3.37Å; R171-I212 HydrophobicContact CG-CG1 3.66Å; R171-I212 VanDerWaalsContact NE-CD1 3.27Å
213	I	87.5	Confident	80.8	Confident	78 Å²	78	85 Å²	85	40%	0.4	43%	0.433	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	125.4	170.6	-59.2	164.6	0	0	0	107.8	I166 L168 L191 P215	I166-I213 HydrophobicContact CB-CG2 4.33Å; I166-I213 HydrophobicContact CG2-CG2 4.44Å; L168-I213 HydrophobicContact CD2-CB 4.44Å; L168-I213 HydrophobicContact CD2-CG1 3.67Å; L191-I213 HydrophobicContact CD2-CG1 4.35Å; I213-P215 VanDerWaalsContact O-CD 3.25Å; I213-P215 WeakPolarHBondContact O-CD 3.32Å
214	L	87.1	Confident	82.5	Confident	30 Å²	30	76.2 Å²	76.2	16%	0.157	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	108	173.5	-69	175.7	0	0	0	109.6	S167 E169 D216 K217 C218	S167-L214 PolarHBondContact O-N 3.46Å; E169-L214 HydrophobicContact CB-CD1 3.94Å; E169-L214 HydrophobicContact CB-CD2 4.13Å; E169-L214 HydrophobicContact CB-CG 3.89Å; E169-L214 WeakPolarHBondContact OE2-CD1 3.44Å; L214-D216 VanDerWaalsContact C-N 3.27Å; L214-D216 PolarHBondContact O-N 3.15Å; L214-K217 HydrophobicContact CD1-CD 4.32Å; L214-K217 PolarHBondContact O-N 3.21Å; L214-C218 PolarHBondContact O-SG 3.08Å
215	P	86.2	Confident	83.8	Confident	94 Å²	94	70.7 Å²	70.7	61%	0.61	36%	0.362	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-64.1	-32.9	-177.8	26.9	-34.2	0	0	0	112.4	I213 K217 C218	I213-P215 VanDerWaalsContact O-CD 3.25Å; I213-P215 WeakPolarHBondContact O-CD 3.32Å; P215-K217 PolarHBondContact O-N 3.24Å; P215-C218 WeakPolarHBondContact O-CB 3.38Å; P215-C218 PolarHBondContact O-N 2.98Å; P215-C218 VanDerWaalsContact O-N 3.16Å
216	D	88.5	Confident	84.9	Confident	154 Å²	154	61 Å²	61	82%	0.824	33%	0.325	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-65.2	-25	-174.6	-54.5	-24.1	0	0	0	113.5	L214	L214-D216 VanDerWaalsContact C-N 3.27Å; L214-D216 PolarHBondContact O-N 3.15Å
217	K	86.5	Confident	85.9	Confident	89 Å²	89	63.1 Å²	63.1	39%	0.387	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	9.4	-178.9	-64	-175.2	179.5	-178.7	0	112.7	S167 L214 P215	S167-K217 WeakPolarHBondContact OG-CB 3.39Å; L214-K217 HydrophobicContact CD1-CD 4.32Å; L214-K217 PolarHBondContact O-N 3.21Å; P215-K217 PolarHBondContact O-N 3.24Å
218	C	84.3	Confident	86.7	Confident	26 Å²	26	59.8 Å²	59.8	18%	0.176	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	129.4	177.7	-72.6	0	0	0	0	110.7	A163 T165 L214 P215	A163-C218 HydrophobicContact CB-CB 4.47Å; T165-C218 WeakPolarHBondContact O-CA 3.43Å; L214-C218 PolarHBondContact O-SG 3.08Å; P215-C218 WeakPolarHBondContact O-CB 3.38Å; P215-C218 PolarHBondContact O-N 2.98Å; P215-C218 VanDerWaalsContact O-N 3.16Å
219	R	87.3	Confident	87.3	Confident	164 Å²	164	56.9 Å²	56.9	62%	0.619	29%	0.29	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-87.5	120.9	167.2	-65.4	-176	179.9	-175.9	1.4	109	A163 T164 T165	A163-R219 CarbonylContact C-O 3.34Å; A163-R219 VanDerWaalsContact CA-O 3.28Å; A163-R219 WeakPolarHBondContact CA-O 3.31Å; T164-R219 PolarHBondContact N-O 3.35Å; T165-R219 PolarHBondContact O-N 3.28Å; T165-R219 VanDerWaalsContact O-N 3.16Å; T165-R219 WeakPolarHBondContact OG1-CB 3.36Å; T165-R219 WeakPolarHBondContact OG1-CG 3.44Å
220	C	87.6	Confident	87.7	Confident	78 Å²	78	52.7 Å²	52.7	53%	0.527	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	147.3	179.7	-58.9	0	0	0	0	111.4	K162	K162-C220 CarbonylContact O-C 3.51Å; K162-C220 WeakPolarHBondContact O-CA 3.31Å
221	I	90.3	Very high	87.7	Confident	32 Å²	32	52.6 Å²	52.6	16%	0.164	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	154.1	170.1	57	168.6	0	0	0	109	K162 T164 R250	K162-I221 HydrophobicContact CB-CG1 4.35Å; K162-I221 PolarHBondContact N-O 2.87Å; K162-I221 WeakPolarHBondContact O-CG1 3.24Å; K162-I221 PolarHBondContact O-N 3.1Å; T164-I221 WeakPolarHBondContact OG1-CG2 3.33Å; I221-R250 HydrophobicContact CB-CG 4.06Å; I221-R250 HydrophobicContact CD1-CG 4.35Å; I221-R250 HydrophobicContact CG2-CG 4.08Å
222	D	91.3	Very high	87.2	Confident	78 Å²	78	54.6 Å²	54.6	42%	0.417	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	137.4	174.6	-63.9	-33.7	0	0	0	110.6	V159 R250 T253	V159-D222 HydrophobicContact CG1-CB 3.65Å; D222-R250 PolarHBondContact O-N 2.97Å; D222-T253 HydrophobicContact CB-CG2 4.25Å
223	F	91.3	Very high	86.6	Confident	30 Å²	30	55.5 Å²	55.5	13%	0.132	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	147.6	171.5	81.3	-85.3	0	0	0	110.7	R160 T161 K162 M225 Y247 C248	R160-F223 HydrophobicContact CB-CD1 3.89Å; R160-F223 HydrophobicContact CB-CE1 3.29Å; R160-F223 HydrophobicContact CB-CE2 4.08Å; R160-F223 HydrophobicContact CB-CZ 3.41Å; R160-F223 VanDerWaalsContact CB-CZ 3.41Å; R160-F223 HydrophobicContact CG-CZ 4.25Å; R160-F223 PolarHBondContact N-O 3.44Å; R160-F223 WeakPolarHBondContact O-CD1 3.3Å; R160-F223 PolarHBondContact O-N 3.37Å; T161-F223 WeakPolarHBondContact O-CE1 3.44Å; K162-F223 HydrophobicContact CB-CB 4.45Å; K162-F223 HydrophobicContact CB-CD1 3.44Å; K162-F223 VanDerWaalsContact CB-CD1 3.44Å; K162-F223 HydrophobicContact CB-CE1 3.94Å; K162-F223 HydrophobicContact CB-CG 4.2Å; F223-M225 HydrophobicContact CE2-CG 4.44Å; F223-Y247 HydrophobicContact CB-CE2 3.86Å; F223-Y247 HydrophobicContact CD2-CD2 4.32Å; F223-Y247 AromaticContact CD2-CE2 3.78Å; F223-Y247 HydrophobicContact CD2-CE2 3.78Å; F223-Y247 HydrophobicContact CG-CE2 4.05Å; F223-C248 VanDerWaalsContact CA-O 3.3Å; F223-C248 WeakPolarHBondContact CA-O 3.34Å
224	Q	89.7	Confident	86.1	Confident	2 Å²	2	55 Å²	55	1%	0.009	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	139.9	177.7	-169.9	175.7	33.2	0	0	109.8	T157 M226 C248 T253 D254	T157-Q224 WeakPolarHBondContact O-CG 3.35Å; T157-Q224 PolarHBondContact O-NE2 3.27Å; Q224-M226 HydrophobicContact CG-CG 4.38Å; Q224-C248 PolarHBondContact N-O 2.97Å; Q224-C248 PolarHBondContact O-N 2.96Å; Q224-T253 HydrophobicContact CB-CG2 3.76Å; Q224-D254 PolarHBondContact NE2-OD1 3.45Å
225	M	90.3	Very high	85.7	Confident	41 Å²	41	55 Å²	55	20%	0.202	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	133.3	172.8	-65.6	-65.7	-62.5	0	0	109.1	T157 L186 F223 L246 Y247	T157-M225 HydrophobicContact CG2-CB 3.83Å; T157-M225 PolarHBondContact N-O 2.94Å; T157-M225 PolarHBondContact OG1-N 2.87Å; T157-M225 PolarHBondContact OG1-O 2.85Å; L186-M225 HydrophobicContact CD1-CE 3.84Å; L186-M225 HydrophobicContact CD1-SD 3.95Å; L186-M225 HydrophobicContact CD2-SD 4.16Å; F223-M225 HydrophobicContact CE2-CG 4.44Å; M225-L246 WeakPolarHBondContact CA-O 3.33Å; M225-Y247 HydrophobicContact SD-CD2 3.68Å; M225-Y247 HydrophobicContact SD-CG 4.35Å
226	M	89.5	Confident	85.4	Confident	3 Å²	3	53.1 Å²	53.1	2%	0.015	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	150	177.6	-50.4	170.2	67	0	0	109.4	I153 S155 T156 Q224 L246 C248 V256	I153-M226 HydrophobicContact CB-CE 4.42Å; I153-M226 HydrophobicContact CD1-CE 3.27Å; I153-M226 HydrophobicContact CG1-CE 3.82Å; I153-M226 HydrophobicContact CG2-CE 3.83Å; S155-M226 CarbonylContact O-C 3.58Å; S155-M226 WeakPolarHBondContact O-CA 2.98Å; T156-M226 HydrophobicContact CG2-CB 4.32Å; T156-M226 HydrophobicContact CG2-CE 3.65Å; T156-M226 HydrophobicContact CG2-CG 3.88Å; T156-M226 HydrophobicContact CG2-SD 4.47Å; Q224-M226 HydrophobicContact CG-CG 4.38Å; M226-L246 HydrophobicContact CB-CB 4.14Å; M226-L246 HydrophobicContact CB-CD1 4.17Å; M226-L246 PolarHBondContact N-O 3.29Å; M226-L246 PolarHBondContact O-N 3.41Å; M226-C248 PolarHBondContact SD-SG 2.97Å; M226-V256 HydrophobicContact CE-CB 3.76Å; M226-V256 HydrophobicContact CE-CG2 4.23Å
227	K	90.1	Very high	84.9	Confident	65 Å²	65	55.2 Å²	55.2	28%	0.283	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	118.3	173.6	-63	-174.3	-168.2	167.8	0	108.8	I153 V154 S155 D422	I153-K227 WeakPolarHBondContact CA-O 3.25Å; V154-K227 PolarHBondContact N-O 2.85Å; S155-K227 PolarHBondContact O-N 2.83Å; S155-K227 WeakPolarHBondContact OG-CB 3.49Å; S155-K227 VanDerWaalsContact OG-CD 3.29Å; S155-K227 WeakPolarHBondContact OG-CD 3.39Å; S155-K227 WeakPolarHBondContact OG-CG 3.33Å; K227-D422 IonicContact NZ-OD2 2.67Å; K227-D422 PolarHBondContact NZ-OD2 2.91Å; K227-D422 VanDerWaalsContact NZ-OD2 3.08Å
228	L	90.6	Very high	84.4	Confident	0 Å²	0	55.3 Å²	55.3	0%	0	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	132.7	173.9	-172.3	68.4	0	0	0	109.6	I135 L149 G151 I152 I153 H243 M244 L246 V262 I264	I135-L228 HydrophobicContact CD1-CD2 3.94Å; I135-L228 HydrophobicContact CD1-CG 4.15Å; L149-L228 HydrophobicContact CB-CD2 4.16Å; G151-L228 VanDerWaalsContact C-CD1 3.44Å; I152-L228 CarbonylContact O-C 3.55Å; I153-L228 HydrophobicContact CG1-CD1 4.3Å; L228-H243 CarbonylContact O-C 3.39Å; L228-H243 WeakPolarHBondContact O-CA 3.46Å; L228-H243 WeakPolarHBondContact O-CB 3.12Å; L228-M244 PolarHBondContact N-O 3.04Å; L228-M244 PolarHBondContact O-N 3.07Å; L228-L246 HydrophobicContact CB-CD1 3.98Å; L228-L246 HydrophobicContact CB-CD2 4.12Å; L228-L246 HydrophobicContact CB-CG 3.99Å; L228-L246 HydrophobicContact CD2-CD2 4.32Å; L228-V262 HydrophobicContact CD1-CG2 3.78Å; L228-I264 HydrophobicContact CB-CD1 4.47Å; L228-I264 HydrophobicContact CD1-CD1 3.47Å; L228-I264 VanDerWaalsContact CD1-CD1 3.47Å; L228-I264 HydrophobicContact CD2-CD1 3.59Å; L228-I264 HydrophobicContact CG-CD1 4.02Å
229	Q	88.2	Confident	84.3	Confident	48 Å²	48	58.6 Å²	58.6	22%	0.224	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	147.4	172.4	-174.3	175	28.8	0	0	110.2	G151 I152 V154 P241	G151-Q229 CarbonylContact C-O 3.16Å; G151-Q229 WeakPolarHBondContact CA-O 3.41Å; I152-Q229 PolarHBondContact N-O 2.8Å; I152-Q229 PolarHBondContact O-N 2.96Å; V154-Q229 HydrophobicContact CG2-CB 3.46Å; V154-Q229 VanDerWaalsContact CG2-CB 3.46Å; V154-Q229 HydrophobicContact CG2-CG 4.3Å; Q229-P241 HydrophobicContact CG-CB 3.94Å
230	E	86.8	Confident	83.8	Confident	5 Å²	5	58 Å²	58	2%	0.023	32%	0.323	C	S	.	.			trans	-56.6	145	172.3	-69.9	173.1	176.8	0	0	111.3	I135 R136 V235 R242	I135-E230 HydrophobicContact CB-CG 3.63Å; I135-E230 WeakPolarHBondContact CB-OE1 3.44Å; I135-E230 HydrophobicContact CD1-CG 3.61Å; I135-E230 HydrophobicContact CG1-CG 4.06Å; I135-E230 HydrophobicContact CG2-CG 4.35Å; I135-E230 WeakPolarHBondContact CG2-OE1 3.35Å; R136-E230 WeakPolarHBondContact CG-OE1 3.39Å; R136-E230 IonicContact CZ-OE2 3.68Å; R136-E230 PolarHBondContact N-OE1 2.91Å; R136-E230 IonicContact NE-OE1 3.09Å; R136-E230 IonicContact NE-OE2 2.8Å; R136-E230 PolarHBondContact NE-OE2 2.84Å; R136-E230 IonicContact NH2-OE2 2.79Å; E230-V235 HydrophobicContact CB-CG2 4.29Å; E230-R242 PolarHBondContact N-O 3.42Å
231	T	79.5	Confident	83.6	Confident	0 Å²	0	56 Å²	56	0%	0	31%	0.309	C	S	.	.			trans	-65.5	142.5	169.7	27.4	0	0	0	0	110.2	R150 I152 E233 D234	R150-T231 HydrophobicContact CG-CG2 4.41Å; I152-T231 HydrophobicContact CD1-CG2 4.41Å; I152-T231 HydrophobicContact CG1-CG2 4.26Å; T231-E233 PolarHBondContact O-N 2.91Å; T231-E233 VanDerWaalsContact O-N 3.09Å; T231-D234 PolarHBondContact O-N 3.42Å; T231-D234 PolarHBondContact OG1-OD2 2.64Å
232	P	73.6	Confident	83.4	Confident	54 Å²	54	60.5 Å²	60.5	35%	0.351	32%	0.324	S	S	.	.	G	3₁₀ helix	trans	-58.8	-27.9	-175.4	23.5	-34	0	0	0	113	D234 V235	P232-D234 VanDerWaalsContact C-N 3.27Å; P232-D234 PolarHBondContact O-N 3.17Å; P232-V235 PolarHBondContact O-N 3.34Å
233	E	73	Confident	83.3	Confident	95 Å²	95	62.8 Å²	62.8	44%	0.444	33%	0.331	S	S	.	.	G	3₁₀ helix	trans	-60.4	-31.3	175.1	-66.3	158	-145.2	0	0	113.5	R150 T231	R150-E233 IonicContact NH1-OE2 3.41Å; R150-E233 PolarHBondContact NH1-OE2 3.23Å; R150-E233 IonicContact NH2-OE2 2.61Å; T231-E233 PolarHBondContact O-N 2.91Å; T231-E233 VanDerWaalsContact O-N 3.09Å
234	D	76.8	Confident	83.2	Confident	67 Å²	67	62 Å²	62	36%	0.358	33%	0.328	S	S	.	.	G	3₁₀ helix	trans	-92.8	-2.2	-176.6	-64.4	-43.1	0	0	0	112.8	T231 P232 P236	T231-D234 PolarHBondContact O-N 3.42Å; T231-D234 PolarHBondContact OG1-OD2 2.64Å; P232-D234 VanDerWaalsContact C-N 3.27Å; P232-D234 PolarHBondContact O-N 3.17Å; D234-P236 WeakPolarHBondContact O-CD 3.28Å
235	V	78.6	Confident	83.3	Confident	29 Å²	29	64 Å²	64	18%	0.176	34%	0.342	C	S	.	.	S	Bend	trans	-87.6	118.1	-176	-175.8	0	0	0	0	109	E230 P232 E239 P241	E230-V235 HydrophobicContact CB-CG2 4.29Å; P232-V235 PolarHBondContact O-N 3.34Å; V235-E239 WeakPolarHBondContact CG1-O 3.3Å; V235-P241 HydrophobicContact CG2-CB 3.85Å
236	P	80.1	Confident	83.5	Confident	56 Å²	56	62 Å²	62	36%	0.364	33%	0.333	S	S	.	.	P	Polyproline II helix	trans	-64.9	142.8	173.2	27.9	-32.7	0	0	0	110.1	D234 G238 E239	D234-P236 WeakPolarHBondContact O-CD 3.28Å; P236-G238 PolarHBondContact O-N 3.29Å; P236-E239 HydrophobicContact CG-CB 4.26Å; P236-E239 HydrophobicContact CG-CG 4.37Å; P236-E239 PolarHBondContact O-N 3.34Å
237	H	77.6	Confident	83.7	Confident	198 Å²	198	62 Å²	62	92%	0.917	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.1	131.6	179.2	-58	-56.6	0	0	0	111.2
238	G	75.3	Confident	83.7	Confident	91 Å²	91	58.9 Å²	58.9	94%	0.938	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	93.6	-9.5	177.1	0	0	0	0	0	115.6	P236	P236-G238 PolarHBondContact O-N 3.29Å
239	E	82.1	Confident	83.7	Confident	95 Å²	95	59.1 Å²	59.1	44%	0.444	32%	0.321	S	S	.	.	S	Bend	trans	-101.9	147.4	173.1	-71	-163.1	-145.3	0	0	112.7	R136 V235 P236 R242	R136-E239 IonicContact CZ-OE2 2.73Å; R136-E239 IonicContact NH1-OE1 2.62Å; R136-E239 IonicContact NH1-OE2 3.33Å; R136-E239 PolarHBondContact NH1-OE2 3.35Å; R136-E239 IonicContact NH2-OE2 3.41Å; R136-E239 PolarHBondContact NH2-OE2 3.5Å; V235-E239 WeakPolarHBondContact CG1-O 3.3Å; P236-E239 HydrophobicContact CG-CB 4.26Å; P236-E239 HydrophobicContact CG-CG 4.37Å; P236-E239 PolarHBondContact O-N 3.34Å; E239-R242 IonicContact OE2-NH2 2.68Å
240	L	77.4	Confident	83.7	Confident	150 Å²	150	59.1 Å²	59.1	79%	0.785	32%	0.318	S	S	*	.	P	Polyproline II helix	trans	-71.3	135.7	169.6	-161.7	79.7	0	0	0	109.4	R136 R242	R136-L240 PolarHBondContact NH2-O 2.99Å; L240-R242 PolarHBondContact O-N 3.22Å
241	P	82.8	Confident	83.8	Confident	36 Å²	36	62.6 Å²	62.6	23%	0.234	33%	0.332	C	S	.	.	P	Polyproline II helix	trans	-54.9	131.3	173.2	19.1	-32.6	0	0	0	111.6	Q229 V235	Q229-P241 HydrophobicContact CG-CB 3.94Å; V235-P241 HydrophobicContact CG2-CB 3.85Å
242	R	87	Confident	84.2	Confident	127 Å²	127	62.6 Å²	62.6	48%	0.479	33%	0.332	S	S	.	.	P	Polyproline II helix	trans	-80.1	151.4	178.1	-62.3	-178	-176	-175.3	3.4	110.2	E230 E239 L240	E230-R242 PolarHBondContact N-O 3.42Å; E239-R242 IonicContact OE2-NH2 2.68Å; L240-R242 PolarHBondContact O-N 3.22Å
243	H	89.5	Confident	84.8	Confident	126 Å²	126	61.2 Å²	61.2	58%	0.583	32%	0.322	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-121.2	147.7	174.4	57.5	-91.6	0	0	0	111.1	L228	L228-H243 CarbonylContact O-C 3.39Å; L228-H243 WeakPolarHBondContact O-CA 3.46Å; L228-H243 WeakPolarHBondContact O-CB 3.12Å
244	M	89.8	Confident	85.4	Confident	14 Å²	14	62 Å²	62	7%	0.069	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	138.6	178.5	-177.6	58.3	67.9	0	0	109.6	I135 L138 L228 Y268 P292 V294	I135-M244 HydrophobicContact CD1-CB 4.42Å; I135-M244 HydrophobicContact CG2-CB 4.4Å; I135-M244 HydrophobicContact CG2-CE 4.4Å; L138-M244 HydrophobicContact CD1-CE 3.91Å; L228-M244 PolarHBondContact N-O 3.04Å; L228-M244 PolarHBondContact O-N 3.07Å; M244-Y268 HydrophobicContact CE-CE2 3.69Å; M244-Y268 HydrophobicContact SD-CE2 4.19Å; M244-P292 HydrophobicContact CE-CB 4.41Å; M244-P292 HydrophobicContact CE-CG 4.38Å; M244-P292 HydrophobicContact SD-CB 4.29Å; M244-P292 HydrophobicContact SD-CG 4.4Å; M244-V294 HydrophobicContact CG-CG2 3.72Å; M244-V294 HydrophobicContact SD-CG2 4.23Å
245	S	91.8	Very high	85.7	Confident	43 Å²	43	62.4 Å²	62.4	30%	0.301	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	130.1	174	-63.8	0	0	0	0	110.3	Y293 V294	S245-Y293 CarbonylContact O-C 3.47Å; S245-Y293 VanDerWaalsContact O-CA 3.3Å; S245-Y293 WeakPolarHBondContact O-CA 2.94Å; S245-V294 PolarHBondContact O-N 3.27Å
246	L	93	Very high	86	Confident	1 Å²	1	61.4 Å²	61.4	1%	0.005	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	145.3	175.8	-52	179.8	0	0	0	110	M225 M226 L228 I264 V294 V296	M225-L246 WeakPolarHBondContact CA-O 3.33Å; M226-L246 HydrophobicContact CB-CB 4.14Å; M226-L246 HydrophobicContact CB-CD1 4.17Å; M226-L246 PolarHBondContact N-O 3.29Å; M226-L246 PolarHBondContact O-N 3.41Å; L228-L246 HydrophobicContact CB-CD1 3.98Å; L228-L246 HydrophobicContact CB-CD2 4.12Å; L228-L246 HydrophobicContact CB-CG 3.99Å; L228-L246 HydrophobicContact CD2-CD2 4.32Å; L246-I264 HydrophobicContact CD1-CD1 3.21Å; L246-I264 HydrophobicContact CD1-CG1 4.15Å; L246-I264 HydrophobicContact CD2-CD1 4.12Å; L246-I264 HydrophobicContact CD2-CG2 4.25Å; L246-I264 HydrophobicContact CG-CD1 4.27Å; L246-V294 CarbonylContact C-O 3.58Å; L246-V294 WeakPolarHBondContact CA-O 3.19Å; L246-V294 HydrophobicContact CD2-CB 3.85Å; L246-V294 HydrophobicContact CD2-CG1 4.32Å; L246-V296 HydrophobicContact CB-CG2 3.79Å; L246-V296 HydrophobicContact CD1-CG2 4.31Å; L246-V296 HydrophobicContact CD2-CG2 4.27Å; L246-V296 HydrophobicContact CG-CG2 4.36Å
247	Y	93.5	Very high	85.9	Confident	1 Å²	1	61.1 Å²	61.1	0%	0.004	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	115.2	174	173.8	-91	0	0	0	108.8	K162 L186 F223 M225 D249 V294 R295 V296	K162-Y247 WeakPolarHBondContact CD-OH 3.4Å; L186-Y247 HydrophobicContact CD1-CD2 4.33Å; L186-Y247 HydrophobicContact CD2-CD2 3.82Å; L186-Y247 HydrophobicContact CD2-CE2 3.96Å; L186-Y247 HydrophobicContact CG-CD2 3.81Å; L186-Y247 HydrophobicContact CG-CE2 4.22Å; L186-Y247 HydrophobicContact CG-CG 4.49Å; F223-Y247 HydrophobicContact CB-CE2 3.86Å; F223-Y247 HydrophobicContact CD2-CD2 4.32Å; F223-Y247 AromaticContact CD2-CE2 3.78Å; F223-Y247 HydrophobicContact CD2-CE2 3.78Å; F223-Y247 HydrophobicContact CG-CE2 4.05Å; M225-Y247 HydrophobicContact SD-CD2 3.68Å; M225-Y247 HydrophobicContact SD-CG 4.35Å; Y247-D249 WeakPolarHBondContact CE1-OD1 3.27Å; Y247-D249 WeakPolarHBondContact CE1-OD2 3.39Å; Y247-D249 PolarHBondContact OH-OD1 3.46Å; Y247-V294 PolarHBondContact N-O 3.08Å; Y247-R295 HydrophobicContact CD1-CG 4.08Å; Y247-V296 PolarHBondContact O-N 3.25Å
248	C	91.8	Very high	85.8	Confident	0 Å²	0	53.2 Å²	53.2	0%	0	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	135.5	-179.1	-62.2	0	0	0	0	110.1	F223 Q224 M226 L252	F223-C248 VanDerWaalsContact CA-O 3.3Å; F223-C248 WeakPolarHBondContact CA-O 3.34Å; Q224-C248 PolarHBondContact N-O 2.97Å; Q224-C248 PolarHBondContact O-N 2.96Å; M226-C248 PolarHBondContact SD-SG 2.97Å; C248-L252 HydrophobicContact CB-CB 4.14Å
249	D	89.3	Confident	85.7	Confident	6 Å²	6	49.8 Å²	49.8	3%	0.032	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	143.8	-179.8	-78.9	-37.3	0	0	0	111.1	Q123 Y247 Y251 L252 R295	Q123-D249 PolarHBondContact NE2-O 2.96Å; Y247-D249 WeakPolarHBondContact CE1-OD1 3.27Å; Y247-D249 WeakPolarHBondContact CE1-OD2 3.39Å; Y247-D249 PolarHBondContact OH-OD1 3.46Å; D249-Y251 PolarHBondContact O-N 3.29Å; D249-L252 WeakPolarHBondContact O-CB 3.42Å; D249-L252 PolarHBondContact O-N 2.84Å; D249-L252 VanDerWaalsContact O-N 3.14Å; D249-R295 IonicContact OD2-CZ 3.52Å; D249-R295 IonicContact OD2-NE 2.84Å; D249-R295 PolarHBondContact OD2-NE 3.02Å; D249-R295 VanDerWaalsContact OD2-NE 3.16Å; D249-R295 IonicContact OD2-NH2 3.47Å; D249-R295 PolarHBondContact OD2-NH2 3.47Å
250	R	88.1	Confident	85.4	Confident	47 Å²	47	46.2 Å²	46.2	18%	0.177	24%	0.238	C	C	.	.	G	3₁₀ helix	trans	52	-114.4	165.9	-56.7	178	-167.6	-179.5	11	113.3	E98 D121 Q123 I221 D222 L252 T253	E98-R250 IonicContact OE2-NH2 3.29Å; D121-R250 PolarHBondContact O-NH1 2.9Å; Q123-R250 VanDerWaalsContact OE1-CB 3.32Å; I221-R250 HydrophobicContact CB-CG 4.06Å; I221-R250 HydrophobicContact CD1-CG 4.35Å; I221-R250 HydrophobicContact CG2-CG 4.08Å; D222-R250 PolarHBondContact O-N 2.97Å; R250-L252 PolarHBondContact O-N 3.25Å; R250-L252 VanDerWaalsContact O-N 3.14Å; R250-T253 WeakPolarHBondContact O-CG2 3.32Å; R250-T253 PolarHBondContact O-N 3.26Å; R250-T253 PolarHBondContact O-OG1 2.97Å
251	Y	88.4	Confident	85.5	Confident	78 Å²	78	40 Å²	40	31%	0.306	20%	0.204	S	C	.	.	G	3₁₀ helix	trans	-71.2	-8.8	-174	-71.3	-80.7	0	0	0	113.9	Y66 Y67 Q123 D249 T253 R255	Y66-Y251 VanDerWaalsContact CD2-OH 3.23Å; Y66-Y251 WeakPolarHBondContact CD2-OH 3.41Å; Y66-Y251 PolarHBondContact N-OH 3.45Å; Y66-Y251 VanDerWaalsContact N-OH 3.13Å; Y67-Y251 HydrophobicContact CD1-CD1 4.23Å; Y67-Y251 HydrophobicContact CD1-CG 4.11Å; Q123-Y251 HydrophobicContact CB-CD2 4.5Å; Q123-Y251 VanDerWaalsContact OE1-N 3.08Å; D249-Y251 PolarHBondContact O-N 3.29Å; Y251-T253 VanDerWaalsContact C-N 3.34Å; Y251-R255 WeakPolarHBondContact O-CD 3.4Å; Y251-R255 WeakPolarHBondContact O-CG 3Å; Y251-R255 PolarHBondContact O-NE 3.31Å
252	L	87.8	Confident	85.7	Confident	1 Å²	1	38.3 Å²	38.3	1%	0.005	19%	0.193	C	C	.	.	G	3₁₀ helix	trans	-85.1	-7.5	176.3	-61.9	173.8	0	0	0	112.9	V125 C248 D249 R250 V296 I299	V125-L252 HydrophobicContact CG2-CD2 4.42Å; C248-L252 HydrophobicContact CB-CB 4.14Å; D249-L252 WeakPolarHBondContact O-CB 3.42Å; D249-L252 PolarHBondContact O-N 2.84Å; D249-L252 VanDerWaalsContact O-N 3.14Å; R250-L252 PolarHBondContact O-N 3.25Å; R250-L252 VanDerWaalsContact O-N 3.14Å; L252-V296 HydrophobicContact CD1-CG1 4.18Å; L252-I299 HydrophobicContact CB-CD1 4.32Å; L252-I299 HydrophobicContact CD2-CD1 4.47Å; L252-I299 HydrophobicContact CD2-CG1 4.36Å
253	T	88.1	Confident	85.9	Confident	24 Å²	24	33.1 Å²	33.1	15%	0.147	17%	0.174	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72	145.6	174	62.3	0	0	0	0	111.1	D222 Q224 R250 Y251 R255	D222-T253 HydrophobicContact CB-CG2 4.25Å; Q224-T253 HydrophobicContact CB-CG2 3.76Å; R250-T253 WeakPolarHBondContact O-CG2 3.32Å; R250-T253 PolarHBondContact O-N 3.26Å; R250-T253 PolarHBondContact O-OG1 2.97Å; Y251-T253 VanDerWaalsContact C-N 3.34Å; T253-R255 PolarHBondContact O-N 3.04Å
254	D	85.1	Confident	86	Confident	113 Å²	113	27.2 Å²	27.2	60%	0.604	15%	0.147	S	C	*	.	T	Hydrogen-bonded Turn	trans	54.3	13.8	179.7	-69.2	-20.8	0	0	0	115.8	V159 Q224 V256	V159-D254 WeakPolarHBondContact CG2-OD2 3.46Å; Q224-D254 PolarHBondContact NE2-OD1 3.45Å; D254-V256 VanDerWaalsContact C-N 3.29Å; D254-V256 PolarHBondContact O-N 3.43Å
255	R	83.6	Confident	86.1	Confident	74 Å²	74	26.8 Å²	26.8	28%	0.279	15%	0.145	S	C	.	.	S	Bend	trans	-70.8	-23.6	173	-76.4	-161.7	-177.3	-175.6	0.4	113.6	Y251 T253	Y251-R255 WeakPolarHBondContact O-CD 3.4Å; Y251-R255 WeakPolarHBondContact O-CG 3Å; Y251-R255 PolarHBondContact O-NE 3.31Å; T253-R255 PolarHBondContact O-N 3.04Å
256	V	83	Confident	86.1	Confident	8 Å²	8	24.8 Å²	24.8	5%	0.048	13%	0.131	C	C	.	.			trans	-132.5	134.6	-173.1	-160.7	0	0	0	0	112.4	I153 M226 D254 N260 V262 I299 M301	I153-V256 HydrophobicContact CD1-CB 3.64Å; I153-V256 HydrophobicContact CD1-CG1 3.22Å; I153-V256 HydrophobicContact CD1-CG2 4.09Å; M226-V256 HydrophobicContact CE-CB 3.76Å; M226-V256 HydrophobicContact CE-CG2 4.23Å; D254-V256 VanDerWaalsContact C-N 3.29Å; D254-V256 PolarHBondContact O-N 3.43Å; V256-N260 HydrophobicContact CG1-CB 3.6Å; V256-V262 HydrophobicContact CG1-CG1 3.75Å; V256-V262 HydrophobicContact CG2-CG1 4.17Å; V256-I299 HydrophobicContact CG2-CD1 4.23Å; V256-I299 HydrophobicContact CG2-CG2 3.65Å; V256-M301 HydrophobicContact CG2-CG 4.31Å
257	A	78.3	Confident	86.1	Confident	51 Å²	51	24.9 Å²	24.9	42%	0.421	13%	0.132	S	C	.	.			trans	-87.8	152.2	172.9	0	0	0	0	0	111.8	N260	A257-N260 WeakPolarHBondContact O-CB 3.49Å; A257-N260 PolarHBondContact O-N 2.79Å
258	P	76.7	Confident	86	Confident	31 Å²	31	26.1 Å²	26.1	20%	0.201	14%	0.136	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.9	142	169.2	27.5	-34.8	0	0	0	110.9	I153 V154 M430	I153-P258 CarbonylContact O-C 3.46Å; I153-P258 WeakPolarHBondContact O-CA 3.1Å; V154-P258 WeakPolarHBondContact O-CB 3.15Å; P258-M430 HydrophobicContact CG-CE 4.35Å
259	G	71.8	Confident	85.9	Confident	20 Å²	20	27.2 Å²	27.2	21%	0.206	14%	0.144	C	C	.	.	T	Hydrogen-bonded Turn	trans	96.9	-16.1	-174.4	0	0	0	0	0	114.4	I153	I153-G259 PolarHBondContact O-N 3.2Å
260	N	77.5	Confident	85.8	Confident	20 Å²	20	28.8 Å²	28.8	11%	0.107	15%	0.154	C	C	.	.			trans	-77.8	137.9	-178.5	-67.4	-0	0	0	0	111.8	I152 I153 V256 A257 W304	I152-N260 WeakPolarHBondContact CA-O 3.2Å; I153-N260 PolarHBondContact N-O 2.99Å; V256-N260 HydrophobicContact CG1-CB 3.6Å; A257-N260 WeakPolarHBondContact O-CB 3.49Å; A257-N260 PolarHBondContact O-N 2.79Å; N260-W304 WeakPolarHBondContact OD1-CH2 3.47Å; N260-W304 VanDerWaalsContact OD1-CZ2 3.23Å; N260-W304 WeakPolarHBondContact OD1-CZ2 3.36Å
261	K	78.5	Confident	85.4	Confident	19 Å²	19	31 Å²	31	8%	0.083	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78	129.8	165.8	-71.2	176.3	-176.4	-176.2	0	109.5	G151 I152 E302	G151-K261 WeakPolarHBondContact O-CA 3.04Å; I152-K261 HydrophobicContact CD1-CG 4.25Å; I152-K261 HydrophobicContact CG1-CG 3.6Å; K261-E302 HydrophobicContact CB-CB 4.14Å; K261-E302 WeakPolarHBondContact CB-OE2 3.41Å; K261-E302 WeakPolarHBondContact CD-OE2 3.31Å; K261-E302 WeakPolarHBondContact O-CB 3.42Å; K261-E302 PolarHBondContact O-N 2.8Å; K261-E302 VanDerWaalsContact O-N 3.1Å
262	V	87.1	Confident	84.5	Confident	0 Å²	0	33.3 Å²	33.3	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	147.5	-176.9	-69	0	0	0	0	111.7	G151 I153 L228 V256 I264 I299 M301	G151-V262 PolarHBondContact N-O 3.05Å; G151-V262 VanDerWaalsContact N-O 3.15Å; G151-V262 PolarHBondContact O-N 3.22Å; I153-V262 HydrophobicContact CD1-CB 4.26Å; I153-V262 HydrophobicContact CD1-CG1 3.66Å; I153-V262 HydrophobicContact CD1-CG2 3.54Å; I153-V262 HydrophobicContact CG1-CG2 3.82Å; L228-V262 HydrophobicContact CD1-CG2 3.78Å; V256-V262 HydrophobicContact CG1-CG1 3.75Å; V256-V262 HydrophobicContact CG2-CG1 4.17Å; V262-I264 HydrophobicContact CB-CD1 4.46Å; V262-I264 HydrophobicContact CB-CG1 4.36Å; V262-I264 HydrophobicContact CG2-CD1 3.46Å; V262-I264 VanDerWaalsContact CG2-CD1 3.46Å; V262-I264 HydrophobicContact CG2-CG1 3.86Å; V262-I299 HydrophobicContact CB-CG2 4.3Å; V262-I299 HydrophobicContact CG1-CG2 4.08Å; V262-M301 HydrophobicContact CG1-CG 4.35Å
263	F	90.6	Very high	83.1	Confident	19 Å²	19	36.5 Å²	36.5	8%	0.083	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	122.7	159.8	-62.4	-77.3	0	0	0	108.2	P132 L149 R150 Q300 E302 P311	P132-F263 HydrophobicContact CB-CD1 4.11Å; P132-F263 HydrophobicContact CB-CE1 4.13Å; P132-F263 HydrophobicContact CG-CD1 4.41Å; P132-F263 HydrophobicContact CG-CE1 3.94Å; L149-F263 CarbonylContact O-C 3.57Å; L149-F263 WeakPolarHBondContact O-CA 3.22Å; R150-F263 HydrophobicContact CB-CD1 4.01Å; R150-F263 HydrophobicContact CB-CE1 3.82Å; R150-F263 HydrophobicContact CG-CD1 4.1Å; R150-F263 HydrophobicContact CG-CE1 3.57Å; R150-F263 HydrophobicContact CG-CZ 4.13Å; F263-Q300 HydrophobicContact CB-CB 4.25Å; F263-Q300 PolarHBondContact N-O 2.76Å; F263-Q300 PolarHBondContact O-N 2.89Å; F263-E302 HydrophobicContact CE2-CB 4.13Å; F263-E302 HydrophobicContact CE2-CG 4.07Å; F263-P311 HydrophobicContact CE2-CB 4.38Å; F263-P311 HydrophobicContact CZ-CB 3.93Å
264	I	91.8	Very high	81.4	Confident	1 Å²	1	40 Å²	40	1%	0.005	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	123.3	-179.1	-71.9	149.5	0	0	0	107.9	K148 L149 L228 L246 V262 V294 V296	K148-I264 CarbonylContact C-O 3.56Å; K148-I264 WeakPolarHBondContact CA-O 3.16Å; L149-I264 PolarHBondContact N-O 3.44Å; L149-I264 PolarHBondContact O-N 2.8Å; L228-I264 HydrophobicContact CB-CD1 4.47Å; L228-I264 HydrophobicContact CD1-CD1 3.47Å; L228-I264 VanDerWaalsContact CD1-CD1 3.47Å; L228-I264 HydrophobicContact CD2-CD1 3.59Å; L228-I264 HydrophobicContact CG-CD1 4.02Å; L246-I264 HydrophobicContact CD1-CD1 3.21Å; L246-I264 HydrophobicContact CD1-CG1 4.15Å; L246-I264 HydrophobicContact CD2-CD1 4.12Å; L246-I264 HydrophobicContact CD2-CG2 4.25Å; L246-I264 HydrophobicContact CG-CD1 4.27Å; V262-I264 HydrophobicContact CB-CD1 4.46Å; V262-I264 HydrophobicContact CB-CG1 4.36Å; V262-I264 HydrophobicContact CG2-CD1 3.46Å; V262-I264 VanDerWaalsContact CG2-CD1 3.46Å; V262-I264 HydrophobicContact CG2-CG1 3.86Å; I264-V294 HydrophobicContact CG2-CG1 4.37Å; I264-V296 HydrophobicContact CG2-CB 4.48Å; I264-V296 HydrophobicContact CG2-CG1 4.08Å; I264-V296 HydrophobicContact CG2-CG2 3.85Å
265	I	92.6	Very high	79.8	Confident	6 Å²	6	44.5 Å²	44.5	3%	0.031	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	123.4	168.1	-64.8	165.8	0	0	0	106.5	I126 L146 V147 K148 L297 G298	I126-I265 HydrophobicContact CB-CG2 4.41Å; I126-I265 HydrophobicContact CG2-CG2 4.25Å; I126-I265 WeakPolarHBondContact O-CD1 3.5Å; L146-I265 HydrophobicContact CD1-CG2 3.74Å; L146-I265 HydrophobicContact CD2-CG2 4.28Å; L146-I265 HydrophobicContact CG-CG2 4.05Å; V147-I265 WeakPolarHBondContact O-CA 3.29Å; K148-I265 HydrophobicContact CB-CG1 4.16Å; K148-I265 HydrophobicContact CD-CG1 4.27Å; K148-I265 HydrophobicContact CG-CG1 3.93Å; I265-L297 PolarHBondContact O-N 3Å; I265-G298 PolarHBondContact N-O 3.45Å; I265-G298 PolarHBondContact O-N 3.36Å
266	G	91.8	Very high	78	Confident	0 Å²	0	45.4 Å²	45.4	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-159	173.4	-175.8	0	0	0	0	0	113.4	V147 R295	V147-G266 WeakPolarHBondContact CG2-O 3.34Å; V147-G266 PolarHBondContact N-O 3.35Å; V147-G266 PolarHBondContact O-N 3.02Å; G266-R295 CarbonylContact C-O 3.6Å; G266-R295 WeakPolarHBondContact CA-O 3.47Å
267	I	92.1	Very high	76.3	Confident	4 Å²	4	50.4 Å²	50.4	2%	0.021	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	126.8	175.6	-48.9	173.8	0	0	0	107.5	P90 L94 C269 V294 R295 L297	P90-I267 HydrophobicContact CB-CD1 3.76Å; P90-I267 HydrophobicContact CB-CG1 4Å; P90-I267 HydrophobicContact CG-CD1 3.8Å; P90-I267 HydrophobicContact CG-CG1 3.76Å; P90-I267 HydrophobicContact CG-CG2 4.08Å; L94-I267 HydrophobicContact CD1-CD1 3.79Å; I267-C269 PolarHBondContact O-N 2.72Å; I267-V294 CarbonylContact O-C 3.51Å; I267-V294 WeakPolarHBondContact O-CA 3.27Å; I267-R295 PolarHBondContact N-O 2.92Å; I267-R295 PolarHBondContact O-N 3.08Å; I267-L297 HydrophobicContact CD1-CD1 4.12Å; I267-L297 HydrophobicContact CD1-CD2 4.37Å; I267-L297 HydrophobicContact CG1-CD1 3.76Å; I267-L297 HydrophobicContact CG1-CG 4.25Å
268	Y	91.9	Very high	75.1	Confident	26 Å²	26	57.6 Å²	57.6	10%	0.102	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	110.2	173.6	-172.8	-126.6	0	0	0	110.1	L138 I143 T144 R145 M244 P292 V294	L138-Y268 HydrophobicContact CD1-CD2 4.5Å; L138-Y268 HydrophobicContact CD1-CE2 4.41Å; I143-Y268 HydrophobicContact CB-CD1 4.41Å; I143-Y268 HydrophobicContact CG1-CD1 3.7Å; I143-Y268 HydrophobicContact CG1-CE1 3.74Å; T144-Y268 PolarHBondContact N-O 3.36Å; R145-Y268 PolarHBondContact O-N 3.16Å; M244-Y268 HydrophobicContact CE-CE2 3.69Å; M244-Y268 HydrophobicContact SD-CE2 4.19Å; Y268-P292 HydrophobicContact CE2-CB 3.59Å; Y268-P292 WeakPolarHBondContact OH-CB 3.24Å; Y268-V294 HydrophobicContact CD2-CG2 3.94Å
269	C	89	Confident	73.7	Confident	23 Å²	23	60 Å²	60	16%	0.155	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	160.2	-175.3	-65.5	0	0	0	0	111.4	I267 P292 Y293	I267-C269 PolarHBondContact O-N 2.72Å; C269-P292 WeakPolarHBondContact O-CA 3.28Å; C269-Y293 CarbonylContact C-O 3.42Å; C269-Y293 WeakPolarHBondContact CA-O 3.45Å; C269-Y293 HydrophobicContact CB-CD1 4.33Å; C269-Y293 HydrophobicContact CB-CD2 4.25Å; C269-Y293 HydrophobicContact CB-CE1 3.85Å; C269-Y293 HydrophobicContact CB-CE2 3.74Å; C269-Y293 PolarHBondContact N-O 2.82Å; C269-Y293 PolarHBondContact O-N 2.96Å
270	V	87.5	Confident	72.4	Confident	40 Å²	40	61.9 Å²	61.9	24%	0.242	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	134.2	173.2	-67.8	0	0	0	0	109.3	I143 R290	I143-V270 HydrophobicContact CD1-CG1 4.26Å; V270-R290 HydrophobicContact CB-CB 4.16Å
271	K	81.1	Confident	71.3	Confident	93 Å²	93	71.5 Å²	71.5	40%	0.404	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.9	127.4	173.9	-171.9	174.7	-177.1	175.7	0	108.9	L186 A273 M291 Y293	L186-K271 HydrophobicContact CB-CD 4.37Å; L186-K271 HydrophobicContact CB-CG 4.47Å; K271-A273 PolarHBondContact O-N 3.3Å; K271-M291 PolarHBondContact N-O 2.95Å; K271-Y293 HydrophobicContact CB-CD1 4.04Å; K271-Y293 HydrophobicContact CB-CE1 4Å
272	K	68.6	Low	70.2	Confident	127 Å²	127	76.3 Å²	76.3	55%	0.552	43%	0.428	S	S	*	.			trans	-73.1	99.4	168.1	-66.2	176.7	-167.2	145.1	0	108	D187 S274	D187-K272 PolarHBondContact OD1-N 2.94Å; D187-K272 WeakPolarHBondContact OD2-CD 3.36Å; D187-K272 WeakPolarHBondContact OD2-CE 3.04Å; D187-K272 IonicContact OD2-NZ 3.18Å; D187-K272 PolarHBondContact OD2-NZ 3.47Å; K272-S274 VanDerWaalsContact C-N 3.26Å; K272-S274 PolarHBondContact O-N 2.88Å
273	A	58.9	Low	68.5	Low	67 Å²	67	82.1 Å²	82.1	55%	0.554	46%	0.459	S	S	*	.			trans	-68.9	91.9	165.2	0	0	0	0	0	107.7	K271 R275	K271-A273 PolarHBondContact O-N 3.3Å; A273-R275 PolarHBondContact O-N 3.47Å
274	S	52.1	Low	66.7	Low	97 Å²	97	89.8 Å²	89.8	68%	0.678	49%	0.488	S	S	*	.			trans	-71.9	72.1	165.9	-168.9	0	0	0	0	108	K272 P276	K272-S274 VanDerWaalsContact C-N 3.26Å; K272-S274 PolarHBondContact O-N 2.88Å; S274-P276 VanDerWaalsContact O-CD 3.32Å; S274-P276 WeakPolarHBondContact O-CD 3.42Å
275	R	50.7	Low	64.8	Low	209 Å²	209	97 Å²	97	79%	0.789	53%	0.527	S	S	*	.			trans	-85.3	109.8	158.2	-86.2	-171.4	169.7	177.8	-2	106	A273 A277	A273-R275 PolarHBondContact O-N 3.47Å; R275-A277 PolarHBondContact O-N 2.73Å
276	P	47.1	Very low	63.2	Low	93 Å²	93	100.8 Å²	100.8	60%	0.604	55%	0.55	S	S	*	.			trans	-58	137.6	165.1	25.4	-31.4	0	0	0	107.5	S274 K278	S274-P276 VanDerWaalsContact O-CD 3.32Å; S274-P276 WeakPolarHBondContact O-CD 3.42Å; P276-K278 PolarHBondContact O-N 3.44Å
277	A	47.9	Very low	61.4	Low	113 Å²	113	108.5 Å²	108.5	93%	0.934	59%	0.59	S	S	*	*	T	Hydrogen-bonded Turn	trans	-57.1	7.7	-177.2	0	0	0	0	0	115.7	R275	R275-A277 PolarHBondContact O-N 2.73Å
278	K	51.8	Low	60.4	Low	202 Å²	202	111.5 Å²	111.5	88%	0.878	62%	0.622	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.1	-4.2	-175.1	-71.5	-171	173.3	-175.3	0	114.9	P276 G280	P276-K278 PolarHBondContact O-N 3.44Å; K278-G280 PolarHBondContact O-N 3.47Å
279	A	48.6	Very low	59.5	Low	80 Å²	80	115.2 Å²	115.2	66%	0.661	65%	0.646	S	S	*	*	S	Bend	trans	-91.1	96.4	178.3	0	0	0	0	0	111.7
280	G	43.7	Very low	59	Low	61 Å²	61	120.6 Å²	120.6	63%	0.629	66%	0.663	S	S	*	*			trans	70.6	108.5	154.7	0	0	0	0	0	116.6	K278 S282	K278-G280 PolarHBondContact O-N 3.47Å; G280-S282 PolarHBondContact O-N 3.17Å
281	R	54.3	Low	58.9	Low	221 Å²	221	125 Å²	125	83%	0.834	68%	0.683	S	S	*	*	T	Hydrogen-bonded Turn	trans	-55.7	-3.2	177.8	-158.9	170.8	170.4	161.4	-4.2	115.7
282	S	54.5	Low	59.3	Low	120 Å²	120	122.9 Å²	122.9	84%	0.839	68%	0.679	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.7	-2.5	-169.3	-163.9	0	0	0	0	115.7	G280	G280-S282 PolarHBondContact O-N 3.17Å
283	N	52.4	Low	60.4	Low	122 Å²	122	117.5 Å²	117.5	65%	0.652	66%	0.655	S	S	*	*			trans	-137.4	58.5	-179.3	-145	-1.6	0	0	0	112.7	N285	N283-N285 PolarHBondContact O-N 3.24Å
284	R	52.5	Low	62	Low	181 Å²	181	114.3 Å²	114.3	68%	0.683	63%	0.629	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.3	-9.5	178.4	-88.9	-177.5	179.7	171.3	-2.2	114.7	T286	R284-T286 PolarHBondContact O-N 3.46Å
285	N	52.7	Low	63.9	Low	153 Å²	153	111.1 Å²	111.1	82%	0.818	60%	0.602	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.2	13.1	-167.4	-77.9	16.2	0	0	0	115.9	N283	N283-N285 PolarHBondContact O-N 3.24Å
286	T	57.5	Low	65.9	Low	84 Å²	84	101.2 Å²	101.2	52%	0.515	57%	0.565	S	S	.	*			trans	-131.1	50.1	175.8	36.7	0	0	0	0	112.2	R284 G288 V289	R284-T286 PolarHBondContact O-N 3.46Å; T286-G288 PolarHBondContact O-N 3.4Å; T286-G288 VanDerWaalsContact O-N 3.1Å; T286-V289 HydrophobicContact CG2-CB 4.49Å; T286-V289 HydrophobicContact CG2-CG2 3.94Å
287	I	55.5	Low	67.9	Low	163 Å²	163	97.2 Å²	97.2	84%	0.836	54%	0.538	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.8	108.9	169.8	-59.2	167.7	0	0	0	107.8
288	G	69.7	Low	69.9	Low	67 Å²	67	92 Å²	92	69%	0.691	50%	0.495	S	S	*	.	T	Hydrogen-bonded Turn	trans	97.7	-2.7	169.9	0	0	0	0	0	117.4	T286 R290	T286-G288 PolarHBondContact O-N 3.4Å; T286-G288 VanDerWaalsContact O-N 3.1Å; G288-R290 PolarHBondContact O-N 3.06Å
289	V	74.3	Confident	71.6	Confident	103 Å²	103	83.3 Å²	83.3	62%	0.624	46%	0.458	S	S	*	.			trans	-72	115.7	176.9	-176.2	0	0	0	0	109.9	T286	T286-V289 HydrophobicContact CG2-CB 4.49Å; T286-V289 HydrophobicContact CG2-CG2 3.94Å
290	R	78.5	Confident	73.4	Confident	136 Å²	136	83 Å²	83	51%	0.513	44%	0.443	S	S	.	.			trans	-106.6	148.6	176	-64.6	-175.8	-176.3	169.9	3.6	110	V270 G288	V270-R290 HydrophobicContact CB-CB 4.16Å; G288-R290 PolarHBondContact O-N 3.06Å
291	M	84.2	Confident	74.9	Confident	132 Å²	132	84.4 Å²	84.4	65%	0.65	43%	0.434	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-82.2	124.2	177.5	-66.4	-63.4	179.5	0	0	109.9	K271	K271-M291 PolarHBondContact N-O 2.95Å
292	P	89.7	Confident	75.5	Confident	49 Å²	49	75.1 Å²	75.1	32%	0.318	40%	0.4	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	150.2	175.9	31.9	-33.8	0	0	0	111.5	M244 Y268 C269	M244-P292 HydrophobicContact CE-CB 4.41Å; M244-P292 HydrophobicContact CE-CG 4.38Å; M244-P292 HydrophobicContact SD-CB 4.29Å; M244-P292 HydrophobicContact SD-CG 4.4Å; Y268-P292 HydrophobicContact CE2-CB 3.59Å; Y268-P292 WeakPolarHBondContact OH-CB 3.24Å; C269-P292 WeakPolarHBondContact O-CA 3.28Å
293	Y	92.3	Very high	75.4	Confident	14 Å²	14	73.4 Å²	73.4	6%	0.055	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.4	154.7	167.1	69.6	-86.2	0	0	0	109.6	L186 S245 C269 K271 R295	L186-Y293 HydrophobicContact CB-CE1 4.28Å; L186-Y293 HydrophobicContact CD1-CD1 4.16Å; L186-Y293 HydrophobicContact CD1-CD2 4.14Å; L186-Y293 HydrophobicContact CD1-CE1 4.34Å; L186-Y293 HydrophobicContact CD1-CE2 4.35Å; L186-Y293 HydrophobicContact CD1-CG 4.04Å; L186-Y293 PolarHBondContact N-OH 3.15Å; S245-Y293 CarbonylContact O-C 3.47Å; S245-Y293 VanDerWaalsContact O-CA 3.3Å; S245-Y293 WeakPolarHBondContact O-CA 2.94Å; C269-Y293 CarbonylContact C-O 3.42Å; C269-Y293 WeakPolarHBondContact CA-O 3.45Å; C269-Y293 HydrophobicContact CB-CD1 4.33Å; C269-Y293 HydrophobicContact CB-CD2 4.25Å; C269-Y293 HydrophobicContact CB-CE1 3.85Å; C269-Y293 HydrophobicContact CB-CE2 3.74Å; C269-Y293 PolarHBondContact N-O 2.82Å; C269-Y293 PolarHBondContact O-N 2.96Å; K271-Y293 HydrophobicContact CB-CD1 4.04Å; K271-Y293 HydrophobicContact CB-CE1 4Å; Y293-R295 HydrophobicContact CE2-CB 4.38Å
294	V	92	Very high	74.9	Confident	0 Å²	0	73.1 Å²	73.1	0%	0	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	121.4	175.4	177.1	0	0	0	0	108.5	L149 M244 S245 L246 Y247 I264 I267 Y268 V296	L149-V294 HydrophobicContact CD1-CG2 3.83Å; M244-V294 HydrophobicContact CG-CG2 3.72Å; M244-V294 HydrophobicContact SD-CG2 4.23Å; S245-V294 PolarHBondContact O-N 3.27Å; L246-V294 CarbonylContact C-O 3.58Å; L246-V294 WeakPolarHBondContact CA-O 3.19Å; L246-V294 HydrophobicContact CD2-CB 3.85Å; L246-V294 HydrophobicContact CD2-CG1 4.32Å; Y247-V294 PolarHBondContact N-O 3.08Å; I264-V294 HydrophobicContact CG2-CG1 4.37Å; I267-V294 CarbonylContact O-C 3.51Å; I267-V294 WeakPolarHBondContact O-CA 3.27Å; Y268-V294 HydrophobicContact CD2-CG2 3.94Å; V294-V296 PolarHBondContact O-N 2.72Å
295	R	92.2	Very high	74	Confident	30 Å²	30	65.4 Å²	65.4	11%	0.113	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	116.6	168.9	176	168.1	-172.6	-135.7	-3.3	108.4	Y247 D249 G266 I267 Y293	Y247-R295 HydrophobicContact CD1-CG 4.08Å; D249-R295 IonicContact OD2-CZ 3.52Å; D249-R295 IonicContact OD2-NE 2.84Å; D249-R295 PolarHBondContact OD2-NE 3.02Å; D249-R295 VanDerWaalsContact OD2-NE 3.16Å; D249-R295 IonicContact OD2-NH2 3.47Å; D249-R295 PolarHBondContact OD2-NH2 3.47Å; G266-R295 CarbonylContact C-O 3.6Å; G266-R295 WeakPolarHBondContact CA-O 3.47Å; I267-R295 PolarHBondContact N-O 2.92Å; I267-R295 PolarHBondContact O-N 3.08Å; Y293-R295 HydrophobicContact CE2-CB 4.38Å
296	V	93	Very high	73	Confident	2 Å²	2	63.5 Å²	63.5	1%	0.012	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	128.7	-175.7	-175.7	0	0	0	0	109.9	L246 Y247 L252 I264 V294 I299	L246-V296 HydrophobicContact CB-CG2 3.79Å; L246-V296 HydrophobicContact CD1-CG2 4.31Å; L246-V296 HydrophobicContact CD2-CG2 4.27Å; L246-V296 HydrophobicContact CG-CG2 4.36Å; Y247-V296 PolarHBondContact O-N 3.25Å; L252-V296 HydrophobicContact CD1-CG1 4.18Å; I264-V296 HydrophobicContact CG2-CB 4.48Å; I264-V296 HydrophobicContact CG2-CG1 4.08Å; I264-V296 HydrophobicContact CG2-CG2 3.85Å; V294-V296 PolarHBondContact O-N 2.72Å; V296-I299 HydrophobicContact CG1-CD1 3.93Å; V296-I299 HydrophobicContact CG1-CG1 3.35Å
297	L	89.2	Confident	71.9	Confident	9 Å²	9	61 Å²	61	5%	0.047	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	-32.4	175.1	-57.5	176.3	0	0	0	111.1	L94 V125 I126 L146 I265 I267	L94-L297 HydrophobicContact CD1-CD1 3.59Å; L94-L297 HydrophobicContact CD1-CD2 3.34Å; L94-L297 HydrophobicContact CD1-CG 4.09Å; L94-L297 HydrophobicContact CD2-CD1 4.32Å; L94-L297 HydrophobicContact CD2-CD2 4.4Å; L94-L297 HydrophobicContact CG-CD1 4.49Å; V125-L297 WeakPolarHBondContact CA-O 3.4Å; I126-L297 HydrophobicContact CD1-CD1 4.11Å; L146-L297 HydrophobicContact CD1-CD1 3.52Å; I265-L297 PolarHBondContact O-N 3Å; I267-L297 HydrophobicContact CD1-CD1 4.12Å; I267-L297 HydrophobicContact CD1-CD2 4.37Å; I267-L297 HydrophobicContact CG1-CD1 3.76Å; I267-L297 HydrophobicContact CG1-CG 4.25Å
298	G	89.4	Confident	71	Confident	3 Å²	3	60.1 Å²	60.1	3%	0.031	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.6	139.6	175.8	0	0	0	0	0	111.7	I126 I265	I126-G298 WeakPolarHBondContact O-CA 3.37Å; I265-G298 PolarHBondContact N-O 3.45Å; I265-G298 PolarHBondContact O-N 3.36Å
299	I	88.1	Confident	69.4	Low	19 Å²	19	57.7 Å²	57.7	10%	0.097	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	121.4	173.3	-56.3	174.7	0	0	0	106.9	L252 V256 V262 V296	L252-I299 HydrophobicContact CB-CD1 4.32Å; L252-I299 HydrophobicContact CD2-CD1 4.47Å; L252-I299 HydrophobicContact CD2-CG1 4.36Å; V256-I299 HydrophobicContact CG2-CD1 4.23Å; V256-I299 HydrophobicContact CG2-CG2 3.65Å; V262-I299 HydrophobicContact CB-CG2 4.3Å; V262-I299 HydrophobicContact CG1-CG2 4.08Å; V296-I299 HydrophobicContact CG1-CD1 3.93Å; V296-I299 HydrophobicContact CG1-CG1 3.35Å
300	Q	85.8	Confident	67.8	Low	73 Å²	73	54.1 Å²	54.1	34%	0.341	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	114.6	167.3	-178.1	177.8	9.6	0	0	107.2	F263	F263-Q300 HydrophobicContact CB-CB 4.25Å; F263-Q300 PolarHBondContact N-O 2.76Å; F263-Q300 PolarHBondContact O-N 2.89Å
301	M	76	Confident	66.1	Low	91 Å²	91	49.9 Å²	49.9	45%	0.448	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.3	136.1	167.9	-65.5	-173	-72	0	0	108.1	V256 V262 T303	V256-M301 HydrophobicContact CG2-CG 4.31Å; V262-M301 HydrophobicContact CG1-CG 4.35Å; M301-T303 PolarHBondContact O-N 2.94Å
302	E	66.1	Low	64.1	Low	26 Å²	26	51.8 Å²	51.8	12%	0.121	27%	0.27	C	S	.	.			trans	-67.9	93.9	167.6	-167.6	167.1	-148.2	0	0	105.9	R150 K261 F263 W304 P311	R150-E302 IonicContact NH2-OE1 3.94Å; K261-E302 HydrophobicContact CB-CB 4.14Å; K261-E302 WeakPolarHBondContact CB-OE2 3.41Å; K261-E302 WeakPolarHBondContact CD-OE2 3.31Å; K261-E302 WeakPolarHBondContact O-CB 3.42Å; K261-E302 PolarHBondContact O-N 2.8Å; K261-E302 VanDerWaalsContact O-N 3.1Å; F263-E302 HydrophobicContact CE2-CB 4.13Å; F263-E302 HydrophobicContact CE2-CG 4.07Å; E302-W304 PolarHBondContact O-N 3.25Å; E302-P311 WeakPolarHBondContact OE1-CA 3.42Å; E302-P311 WeakPolarHBondContact OE1-CD 3.43Å
303	T	52.6	Low	62.2	Low	84 Å²	84	52.8 Å²	52.8	52%	0.515	27%	0.271	S	S	.	.			trans	-53.5	113.7	-163.9	-54	0	0	0	0	110.4	M301 G305 R308	M301-T303 PolarHBondContact O-N 2.94Å; T303-G305 PolarHBondContact O-N 3.2Å; T303-R308 WeakPolarHBondContact O-CB 3.48Å
304	W	41.8	Very low	60.2	Low	116 Å²	116	57 Å²	57	44%	0.439	30%	0.302	S	S	.	.			trans	-62.3	77.5	163.5	-73.4	-4	0	0	0	110.2	N260 E302	N260-W304 WeakPolarHBondContact OD1-CH2 3.47Å; N260-W304 VanDerWaalsContact OD1-CZ2 3.23Å; N260-W304 WeakPolarHBondContact OD1-CZ2 3.36Å; E302-W304 PolarHBondContact O-N 3.25Å
305	G	33.8	Very low	58.6	Low	20 Å²	20	59 Å²	59	21%	0.206	31%	0.313	C	S	.	.			trans	-84.7	150.2	160.9	0	0	0	0	0	109.7	T303 G307 R308	T303-G305 PolarHBondContact O-N 3.2Å; G305-G307 PolarHBondContact O-N 2.9Å; G305-R308 PolarHBondContact O-N 3.15Å
306	I	32.1	Very low	57.7	Low	112 Å²	112	60.4 Å²	60.4	57%	0.574	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.8	100.1	170.2	-59.4	155.4	0	0	0	107.1	K365	I306-K365 HydrophobicContact CD1-CD 4.46Å
307	G	33.1	Very low	57.1	Low	31 Å²	31	64.9 Å²	64.9	32%	0.32	35%	0.354	S	S	.	.	T	Hydrogen-bonded Turn	trans	101.1	-4.5	-176.8	0	0	0	0	0	116.9	G305 A309	G305-G307 PolarHBondContact O-N 2.9Å; G307-A309 PolarHBondContact O-N 3.3Å
308	R	37.7	Very low	56.8	Low	146 Å²	146	71.6 Å²	71.6	55%	0.551	39%	0.385	S	S	*	.			trans	-86	77.9	178.3	-66.9	-172.9	-174	-175.7	3.8	111.5	T303 G305 D569	T303-R308 WeakPolarHBondContact O-CB 3.48Å; G305-R308 PolarHBondContact O-N 3.15Å; R308-D569 VanDerWaalsContact CG-OD1 3.32Å; R308-D569 WeakPolarHBondContact CG-OD1 2.66Å
309	A	35.3	Very low	56.4	Low	15 Å²	15	74.1 Å²	74.1	12%	0.124	40%	0.396	C	S	.	.			trans	-104.9	58	172.2	0	0	0	0	0	110.3	G307 I401	G307-A309 PolarHBondContact O-N 3.3Å; A309-I401 HydrophobicContact CB-CD1 4.42Å
310	A	40.5	Very low	56	Low	29 Å²	29	75.3 Å²	75.3	24%	0.24	40%	0.401	C	S	.	.	S	Bend	trans	-171.5	156.9	163	0	0	0	0	0	108.7	I313 A565	A310-I313 HydrophobicContact CB-CD1 4.33Å; A310-I313 HydrophobicContact CB-CG1 4.44Å; A310-A565 HydrophobicContact CB-CB 4.13Å
311	P	43.1	Very low	56	Low	46 Å²	46	78.3 Å²	78.3	30%	0.299	41%	0.413	S	S	.	.	S	Bend	trans	-53.6	161.9	156.2	26	-32.1	0	0	0	107.6	F263 E302 I313	F263-P311 HydrophobicContact CE2-CB 4.38Å; F263-P311 HydrophobicContact CZ-CB 3.93Å; E302-P311 WeakPolarHBondContact OE1-CA 3.42Å; E302-P311 WeakPolarHBondContact OE1-CD 3.43Å; P311-I313 PolarHBondContact O-N 3.25Å
312	Q	42.4	Very low	56.4	Low	173 Å²	173	76.4 Å²	76.4	81%	0.808	41%	0.411	S	S	*	.			trans	-55.1	90.8	159.5	-75.5	173	-30.8	0	0	107	C314	Q312-C314 PolarHBondContact O-N 3.45Å
313	I	50.2	Low	57.2	Low	69 Å²	69	75.5 Å²	75.5	35%	0.354	41%	0.407	S	S	.	.			trans	-59.4	106.7	152.5	-59.2	173.9	0	0	0	99.9	A310 P311 L315 K562 A565	A310-I313 HydrophobicContact CB-CD1 4.33Å; A310-I313 HydrophobicContact CB-CG1 4.44Å; P311-I313 PolarHBondContact O-N 3.25Å; I313-L315 HydrophobicContact CG2-CD1 4.35Å; I313-L315 PolarHBondContact O-N 3.18Å; I313-K562 HydrophobicContact CD1-CG 4.27Å; I313-K562 HydrophobicContact CG2-CD 4.4Å; I313-K562 HydrophobicContact CG2-CG 4.3Å; I313-A565 HydrophobicContact CD1-CB 4.46Å
314	C	49.4	Very low	58.8	Low	104 Å²	104	77.6 Å²	77.6	70%	0.703	41%	0.406	S	S	*	.			trans	-58.6	81.1	174.6	-66.6	0	0	0	0	106.7	Q312 T316	Q312-C314 PolarHBondContact O-N 3.45Å; C314-T316 PolarHBondContact O-N 3.49Å
315	L	57.8	Low	61	Low	42 Å²	42	76.4 Å²	76.4	22%	0.22	41%	0.411	C	S	.	.			trans	-69.3	110.8	179.8	-148.2	83.1	0	0	0	103.7	I313 E319 E320 K562 Y566	I313-L315 HydrophobicContact CG2-CD1 4.35Å; I313-L315 PolarHBondContact O-N 3.18Å; L315-E319 HydrophobicContact CD1-CB 4.19Å; L315-E319 WeakPolarHBondContact CD1-OE2 3.14Å; L315-E319 HydrophobicContact CG-CB 3.83Å; L315-E320 HydrophobicContact CD2-CB 3.88Å; L315-E320 HydrophobicContact CD2-CG 4.46Å; L315-K562 HydrophobicContact CD1-CB 4.5Å; L315-Y566 HydrophobicContact CD2-CD2 3.49Å; L315-Y566 VanDerWaalsContact CD2-CD2 3.49Å; L315-Y566 HydrophobicContact CD2-CE2 3.72Å; L315-Y566 HydrophobicContact CD2-CG 4.31Å
316	T	74.1	Confident	63.4	Low	59 Å²	59	77.2 Å²	77.2	36%	0.362	41%	0.411	S	S	.	.			trans	-59.9	150.7	174.2	62.5	0	0	0	0	107.8	C314 E318 E319 E320	C314-T316 PolarHBondContact O-N 3.49Å; T316-E318 PolarHBondContact O-N 3.04Å; T316-E319 PolarHBondContact O-N 3.13Å; T316-E319 WeakPolarHBondContact OG1-CB 3.42Å; T316-E319 VanDerWaalsContact OG1-CG 3.32Å; T316-E319 WeakPolarHBondContact OG1-CG 3.49Å; T316-E319 PolarHBondContact OG1-N 2.89Å; T316-E319 VanDerWaalsContact OG1-N 3.11Å; T316-E320 PolarHBondContact O-N 3.04Å
317	P	80.4	Confident	65.9	Low	96 Å²	96	72.5 Å²	72.5	62%	0.623	39%	0.388	S	S	*	.	H	α-helix	trans	-58.2	-22.3	175.8	24.1	-34.2	0	0	0	112.2	K321	P317-K321 VanDerWaalsContact O-CG 3.26Å; P317-K321 WeakPolarHBondContact O-CG 3.46Å; P317-K321 PolarHBondContact O-N 3.38Å
318	E	82.7	Confident	68.3	Low	150 Å²	150	74.8 Å²	74.8	70%	0.701	40%	0.404	S	S	*	.	H	α-helix	trans	-72.3	-47.5	172.8	-62.2	-179.5	173.6	0	0	112.4	T316 E320 K321 A322	T316-E318 PolarHBondContact O-N 3.04Å; E318-E320 VanDerWaalsContact C-N 3.28Å; E318-E320 PolarHBondContact O-N 3.31Å; E318-K321 WeakPolarHBondContact O-CB 3.26Å; E318-K321 PolarHBondContact O-N 3.43Å; E318-A322 PolarHBondContact O-N 3.47Å
319	E	80.5	Confident	70.7	Confident	56 Å²	56	70.8 Å²	70.8	26%	0.262	39%	0.394	S	S	.	.	H	α-helix	trans	-59.9	-41.5	173.7	-77	-176.8	-177.9	0	0	110.6	L315 T316 K321 A322 M323 K562	L315-E319 HydrophobicContact CD1-CB 4.19Å; L315-E319 WeakPolarHBondContact CD1-OE2 3.14Å; L315-E319 HydrophobicContact CG-CB 3.83Å; T316-E319 PolarHBondContact O-N 3.13Å; T316-E319 WeakPolarHBondContact OG1-CB 3.42Å; T316-E319 VanDerWaalsContact OG1-CG 3.32Å; T316-E319 WeakPolarHBondContact OG1-CG 3.49Å; T316-E319 PolarHBondContact OG1-N 2.89Å; T316-E319 VanDerWaalsContact OG1-N 3.11Å; E319-K321 VanDerWaalsContact C-N 3.33Å; E319-K321 PolarHBondContact O-N 2.83Å; E319-A322 PolarHBondContact O-N 2.87Å; E319-M323 VanDerWaalsContact O-CG 3.26Å; E319-M323 WeakPolarHBondContact O-CG 3.21Å; E319-M323 PolarHBondContact O-N 3.36Å; E319-K562 IonicContact OE1-NZ 2.63Å; E319-K562 PolarHBondContact OE1-NZ 3.07Å; E319-K562 IonicContact OE2-NZ 3.23Å; E319-K562 PolarHBondContact OE2-NZ 2.81Å
320	E	81.1	Confident	72.8	Confident	43 Å²	43	76.3 Å²	76.3	20%	0.201	43%	0.428	C	S	.	.	H	α-helix	trans	-58.8	-43.2	175.2	-175.7	167.2	147.8	0	0	112.6	L315 T316 E318 M323 R324 Y566 K570	L315-E320 HydrophobicContact CD2-CB 3.88Å; L315-E320 HydrophobicContact CD2-CG 4.46Å; T316-E320 PolarHBondContact O-N 3.04Å; E318-E320 VanDerWaalsContact C-N 3.28Å; E318-E320 PolarHBondContact O-N 3.31Å; E320-M323 PolarHBondContact O-N 3.31Å; E320-R324 WeakPolarHBondContact O-CG 3.35Å; E320-R324 PolarHBondContact O-N 2.94Å; E320-R324 IonicContact OE1-CZ 2.82Å; E320-R324 IonicContact OE1-NE 3.97Å; E320-R324 IonicContact OE1-NH1 3.92Å; E320-R324 PolarHBondContact OE1-NH1 2.94Å; E320-R324 IonicContact OE1-NH2 2.82Å; E320-R324 PolarHBondContact OE1-NH2 2.77Å; E320-Y566 HydrophobicContact CG-CE2 3.89Å; E320-Y566 WeakPolarHBondContact CG-OH 3.45Å; E320-K570 IonicContact OE1-NZ 2.65Å; E320-K570 PolarHBondContact OE1-NZ 2.95Å; E320-K570 IonicContact OE2-NZ 3.08Å; E320-K570 PolarHBondContact OE2-NZ 3.42Å
321	K	86	Confident	74.9	Confident	137 Å²	137	77.6 Å²	77.6	60%	0.596	44%	0.439	S	S	*	.	H	α-helix	trans	-62.2	-46.4	175.6	-74.7	170.1	-175.8	179.4	0	110.7	P317 E318 E319 M323 R324 T325	P317-K321 VanDerWaalsContact O-CG 3.26Å; P317-K321 WeakPolarHBondContact O-CG 3.46Å; P317-K321 PolarHBondContact O-N 3.38Å; E318-K321 WeakPolarHBondContact O-CB 3.26Å; E318-K321 PolarHBondContact O-N 3.43Å; E319-K321 VanDerWaalsContact C-N 3.33Å; E319-K321 PolarHBondContact O-N 2.83Å; K321-M323 VanDerWaalsContact C-N 3.33Å; K321-M323 PolarHBondContact O-N 3.09Å; K321-R324 PolarHBondContact O-N 3.23Å; K321-R324 VanDerWaalsContact O-N 3.16Å; K321-T325 PolarHBondContact O-N 2.96Å; K321-T325 PolarHBondContact O-OG1 2.76Å; K321-T325 VanDerWaalsContact O-OG1 3.11Å
322	A	84.2	Confident	77	Confident	51 Å²	51	75.6 Å²	75.6	42%	0.421	43%	0.426	S	S	.	.	H	α-helix	trans	-59.2	-42.5	177.4	0	0	0	0	0	112.2	E318 E319 R324 T325 L326	E318-A322 PolarHBondContact O-N 3.47Å; E319-A322 PolarHBondContact O-N 2.87Å; A322-R324 VanDerWaalsContact C-N 3.35Å; A322-R324 PolarHBondContact O-N 3.36Å; A322-T325 PolarHBondContact O-N 3.39Å; A322-L326 WeakPolarHBondContact O-CG 3.15Å; A322-L326 PolarHBondContact O-N 2.86Å
323	M	83.1	Confident	79.1	Confident	6 Å²	6	68.7 Å²	68.7	3%	0.03	39%	0.393	C	S	.	.	H	α-helix	trans	-64.1	-38.1	176.4	-64.1	-53.6	171.7	0	0	112.4	E319 E320 K321 L326 A327 T559 K562 Y563 Y566	E319-M323 VanDerWaalsContact O-CG 3.26Å; E319-M323 WeakPolarHBondContact O-CG 3.21Å; E319-M323 PolarHBondContact O-N 3.36Å; E320-M323 PolarHBondContact O-N 3.31Å; K321-M323 VanDerWaalsContact C-N 3.33Å; K321-M323 PolarHBondContact O-N 3.09Å; M323-L326 HydrophobicContact SD-CD1 4.39Å; M323-A327 WeakPolarHBondContact O-CB 3.12Å; M323-A327 PolarHBondContact O-N 3.37Å; M323-T559 HydrophobicContact CE-CG2 3.76Å; M323-T559 HydrophobicContact SD-CG2 4.14Å; M323-K562 HydrophobicContact CE-CB 3.65Å; M323-K562 HydrophobicContact CE-CD 4.46Å; M323-Y563 HydrophobicContact CB-CD2 3.98Å; M323-Y563 HydrophobicContact CB-CE2 4.31Å; M323-Y563 HydrophobicContact CG-CD2 4.17Å; M323-Y563 WeakPolarHBondContact O-CE2 3.34Å; M323-Y563 HydrophobicContact SD-CD2 3.56Å; M323-Y563 VanDerWaalsContact SD-CD2 3.56Å; M323-Y563 HydrophobicContact SD-CG 4.11Å; M323-Y566 HydrophobicContact CB-CD1 4.23Å; M323-Y566 HydrophobicContact CB-CE1 4.31Å
324	R	85.8	Confident	80.9	Confident	129 Å²	129	70 Å²	70	49%	0.487	40%	0.397	S	S	.	.	H	α-helix	trans	-67.8	-40.2	174.4	-75.6	-176	-179.4	138.4	2.9	112.4	E320 K321 A322 L326 A327 A328	E320-R324 WeakPolarHBondContact O-CG 3.35Å; E320-R324 PolarHBondContact O-N 2.94Å; E320-R324 IonicContact OE1-CZ 2.82Å; E320-R324 IonicContact OE1-NE 3.97Å; E320-R324 IonicContact OE1-NH1 3.92Å; E320-R324 PolarHBondContact OE1-NH1 2.94Å; E320-R324 IonicContact OE1-NH2 2.82Å; E320-R324 PolarHBondContact OE1-NH2 2.77Å; K321-R324 PolarHBondContact O-N 3.23Å; K321-R324 VanDerWaalsContact O-N 3.16Å; A322-R324 VanDerWaalsContact C-N 3.35Å; A322-R324 PolarHBondContact O-N 3.36Å; R324-L326 VanDerWaalsContact C-N 3.34Å; R324-A327 PolarHBondContact O-N 2.9Å; R324-A328 PolarHBondContact O-N 2.93Å
325	T	87.5	Confident	82.7	Confident	91 Å²	91	69.1 Å²	69.1	56%	0.558	38%	0.379	S	S	*	.	H	α-helix	trans	-61.6	-45.8	175.8	-58	0	0	0	0	110.5	K321 A322 A327 A328 D329	K321-T325 PolarHBondContact O-N 2.96Å; K321-T325 PolarHBondContact O-OG1 2.76Å; K321-T325 VanDerWaalsContact O-OG1 3.11Å; A322-T325 PolarHBondContact O-N 3.39Å; T325-A327 VanDerWaalsContact C-N 3.32Å; T325-A327 PolarHBondContact O-N 3.35Å; T325-A328 WeakPolarHBondContact O-CB 3.24Å; T325-A328 PolarHBondContact O-N 3.36Å; T325-A328 VanDerWaalsContact O-N 3.12Å; T325-D329 PolarHBondContact O-N 3.44Å
326	L	84.3	Confident	84.2	Confident	36 Å²	36	67.3 Å²	67.3	19%	0.188	37%	0.37	C	S	.	.	H	α-helix	trans	-58.3	-44	174.1	-72.4	170.6	0	0	0	111.7	A322 M323 R324 A328 D329 I332 T559	A322-L326 WeakPolarHBondContact O-CG 3.15Å; A322-L326 PolarHBondContact O-N 2.86Å; M323-L326 HydrophobicContact SD-CD1 4.39Å; R324-L326 VanDerWaalsContact C-N 3.34Å; L326-A328 PolarHBondContact O-N 2.87Å; L326-D329 WeakPolarHBondContact O-CB 3.31Å; L326-D329 PolarHBondContact O-N 3.27Å; L326-D329 VanDerWaalsContact O-N 3.16Å; L326-I332 VanDerWaalsContact O-CD1 3.3Å; L326-I332 WeakPolarHBondContact O-CD1 3.42Å; L326-T559 HydrophobicContact CD1-CG2 4.19Å
327	A	84.7	Confident	84.8	Confident	13 Å²	13	64.8 Å²	64.8	11%	0.107	36%	0.355	C	S	.	.	H	α-helix	trans	-64.9	-25.7	178.5	0	0	0	0	0	114	M323 R324 T325 D329 Y563 L633	M323-A327 WeakPolarHBondContact O-CB 3.12Å; M323-A327 PolarHBondContact O-N 3.37Å; R324-A327 PolarHBondContact O-N 2.9Å; T325-A327 VanDerWaalsContact C-N 3.32Å; T325-A327 PolarHBondContact O-N 3.35Å; A327-D329 VanDerWaalsContact C-N 3.3Å; A327-Y563 HydrophobicContact CB-CE2 4.33Å; A327-Y563 WeakPolarHBondContact CB-OH 3.25Å; A327-L633 HydrophobicContact CB-CB 4.32Å; A327-L633 HydrophobicContact CB-CD1 3.45Å; A327-L633 VanDerWaalsContact CB-CD1 3.45Å; A327-L633 HydrophobicContact CB-CG 3.89Å
328	A	84.6	Confident	85.1	Confident	79 Å²	79	67.7 Å²	67.7	65%	0.653	35%	0.353	S	S	*	.	H	α-helix	trans	-77	-17.8	177.4	0	0	0	0	0	112.7	R324 T325 L326 P330	R324-A328 PolarHBondContact O-N 2.93Å; T325-A328 WeakPolarHBondContact O-CB 3.24Å; T325-A328 PolarHBondContact O-N 3.36Å; T325-A328 VanDerWaalsContact O-N 3.12Å; L326-A328 PolarHBondContact O-N 2.87Å; A328-P330 WeakPolarHBondContact O-CD 2.97Å
329	D	86.7	Confident	85.1	Confident	62 Å²	62	61 Å²	61	33%	0.332	32%	0.323	S	S	.	.			trans	-67.6	121.7	178.8	-72.4	-23.2	0	0	0	110.3	T325 L326 A327 A331 I332 R335	T325-D329 PolarHBondContact O-N 3.44Å; L326-D329 WeakPolarHBondContact O-CB 3.31Å; L326-D329 PolarHBondContact O-N 3.27Å; L326-D329 VanDerWaalsContact O-N 3.16Å; A327-D329 VanDerWaalsContact C-N 3.3Å; D329-A331 PolarHBondContact O-N 3.26Å; D329-A331 VanDerWaalsContact O-N 3.12Å; D329-I332 WeakPolarHBondContact O-CB 3.41Å; D329-I332 WeakPolarHBondContact O-CG2 3.34Å; D329-I332 PolarHBondContact O-N 3.1Å; D329-I332 VanDerWaalsContact O-N 3.08Å; D329-R335 IonicContact OD2-NH1 2.8Å
330	P	80.8	Confident	85.3	Confident	131 Å²	131	58.3 Å²	58.3	85%	0.851	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.9	-18.5	-176.5	26.8	-34.9	0	0	0	113.3	A328	A328-P330 WeakPolarHBondContact O-CD 2.97Å
331	A	83.9	Confident	85.2	Confident	56 Å²	56	56.3 Å²	56.3	46%	0.463	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.5	9.1	178.3	0	0	0	0	0	113.4	D329 Y333 E334 R335	D329-A331 PolarHBondContact O-N 3.26Å; D329-A331 VanDerWaalsContact O-N 3.12Å; A331-Y333 PolarHBondContact O-N 3.26Å; A331-E334 PolarHBondContact O-N 2.93Å; A331-R335 WeakPolarHBondContact O-CB 3.49Å; A331-R335 PolarHBondContact O-N 3.14Å
332	I	86.6	Confident	85	Confident	5 Å²	5	52.4 Å²	52.4	3%	0.026	29%	0.29	C	S	.	.	H	α-helix	trans	-56.5	-38.6	-176.1	-176	165	0	0	0	112.6	L326 D329 R335 I336 Y563 L631 E632	L326-I332 VanDerWaalsContact O-CD1 3.3Å; L326-I332 WeakPolarHBondContact O-CD1 3.42Å; D329-I332 WeakPolarHBondContact O-CB 3.41Å; D329-I332 WeakPolarHBondContact O-CG2 3.34Å; D329-I332 PolarHBondContact O-N 3.1Å; D329-I332 VanDerWaalsContact O-N 3.08Å; I332-R335 PolarHBondContact O-N 3.49Å; I332-I336 HydrophobicContact CD1-CD1 4.01Å; I332-I336 HydrophobicContact CG1-CD1 3.57Å; I332-I336 HydrophobicContact CG1-CG1 4.04Å; I332-I336 WeakPolarHBondContact O-CB 3.29Å; I332-I336 VanDerWaalsContact O-CG1 3.26Å; I332-I336 WeakPolarHBondContact O-CG1 3.37Å; I332-I336 PolarHBondContact O-N 2.95Å; I332-Y563 HydrophobicContact CD1-CE1 3.82Å; I332-Y563 WeakPolarHBondContact CD1-OH 3.32Å; I332-L631 HydrophobicContact CB-CD2 4.36Å; I332-L631 HydrophobicContact CD1-CD2 4.42Å; I332-L631 HydrophobicContact CG1-CD2 4.03Å; I332-L631 HydrophobicContact CG2-CD2 3.59Å; I332-E632 HydrophobicContact CG2-CG 4.44Å
333	Y	87.8	Confident	84.8	Confident	28 Å²	28	52.2 Å²	52.2	11%	0.11	29%	0.285	C	S	.	.	H	α-helix	trans	-61.3	-48.6	179.8	174.8	-121.2	0	0	0	112.4	A331 A337 K352 L628 L631 E644	A331-Y333 PolarHBondContact O-N 3.26Å; Y333-A337 WeakPolarHBondContact O-CB 3.47Å; Y333-A337 PolarHBondContact O-N 2.86Å; Y333-K352 HydrophobicContact CE1-CD 3.92Å; Y333-K352 HydrophobicContact CE1-CG 4.07Å; Y333-K352 HydrophobicContact CE2-CB 4.3Å; Y333-K352 HydrophobicContact CE2-CG 4.14Å; Y333-K352 WeakPolarHBondContact OH-CB 3.37Å; Y333-K352 WeakPolarHBondContact OH-CD 3.36Å; Y333-K352 WeakPolarHBondContact OH-CG 3.29Å; Y333-L628 HydrophobicContact CD2-CD2 3.82Å; Y333-L628 HydrophobicContact CE2-CD2 3.38Å; Y333-L631 HydrophobicContact CD2-CD1 3.9Å; Y333-E644 HydrophobicContact CE1-CG 4.01Å; Y333-E644 WeakPolarHBondContact CE1-OE1 3.38Å; Y333-E644 PolarHBondContact OH-OE1 3.41Å
334	E	88.1	Confident	84.9	Confident	95 Å²	95	53 Å²	53	44%	0.444	29%	0.289	S	S	.	.	H	α-helix	trans	-69	-38.1	177.8	-65.3	-169.4	173.3	0	0	111.7	A331 A337 R338	A331-E334 PolarHBondContact O-N 2.93Å; E334-A337 PolarHBondContact O-N 2.74Å; E334-R338 WeakPolarHBondContact O-CG 3.45Å; E334-R338 PolarHBondContact O-N 3.01Å; E334-R338 IonicContact OE2-NH2 3.54Å; E334-R338 PolarHBondContact OE2-NH2 2.85Å
335	R	86.9	Confident	84.7	Confident	87 Å²	87	52.3 Å²	52.3	33%	0.328	29%	0.287	S	S	.	.	H	α-helix	trans	-62.5	-43.7	178	-168.5	175.6	-177.6	171.6	3.9	111.7	D329 A331 I332 R338 S339 G553 I555	D329-R335 IonicContact OD2-NH1 2.8Å; A331-R335 WeakPolarHBondContact O-CB 3.49Å; A331-R335 PolarHBondContact O-N 3.14Å; I332-R335 PolarHBondContact O-N 3.49Å; R335-R338 PolarHBondContact O-N 3.26Å; R335-S339 WeakPolarHBondContact O-CB 3.44Å; R335-S339 PolarHBondContact O-N 3.12Å; R335-S339 PolarHBondContact O-OG 2.93Å; R335-G553 VanDerWaalsContact CG-O 3.28Å; R335-G553 WeakPolarHBondContact CG-O 3.06Å; R335-G553 PolarHBondContact NE-O 3.1Å; R335-G553 PolarHBondContact NH2-O 2.84Å; R335-I555 HydrophobicContact CG-CD1 4.4Å; R335-I555 HydrophobicContact CG-CG1 4.44Å
336	I	87.6	Confident	84.3	Confident	4 Å²	4	49.5 Å²	49.5	2%	0.021	28%	0.277	C	S	.	.	H	α-helix	trans	-65.1	-44.8	174.2	-69.5	171.6	0	0	0	110.2	I332 R338 S339 I340 A355 F359 I555 M560 Y563 L631	I332-I336 HydrophobicContact CD1-CD1 4.01Å; I332-I336 HydrophobicContact CG1-CD1 3.57Å; I332-I336 HydrophobicContact CG1-CG1 4.04Å; I332-I336 WeakPolarHBondContact O-CB 3.29Å; I332-I336 VanDerWaalsContact O-CG1 3.26Å; I332-I336 WeakPolarHBondContact O-CG1 3.37Å; I332-I336 PolarHBondContact O-N 2.95Å; I336-R338 VanDerWaalsContact C-N 3.3Å; I336-R338 PolarHBondContact O-N 3.41Å; I336-S339 PolarHBondContact O-N 3.19Å; I336-S339 VanDerWaalsContact O-N 3.16Å; I336-I340 HydrophobicContact CG2-CD1 3.94Å; I336-I340 HydrophobicContact CG2-CG1 4.48Å; I336-I340 WeakPolarHBondContact O-CG1 3.47Å; I336-I340 PolarHBondContact O-N 3.48Å; I336-A355 HydrophobicContact CG2-CB 4.02Å; I336-F359 HydrophobicContact CD1-CE2 4.08Å; I336-F359 HydrophobicContact CD1-CZ 3.92Å; I336-I555 HydrophobicContact CG1-CD1 4.15Å; I336-M560 HydrophobicContact CG2-CE 4.21Å; I336-Y563 HydrophobicContact CD1-CE1 4.11Å; I336-L631 HydrophobicContact CD1-CD1 4.06Å; I336-L631 HydrophobicContact CD1-CD2 4.05Å; I336-L631 HydrophobicContact CD1-CG 3.91Å
337	A	87.7	Confident	84.1	Confident	6 Å²	6	50.4 Å²	50.4	5%	0.05	29%	0.286	C	S	.	.	H	α-helix	trans	-60.6	-38.4	179.1	0	0	0	0	0	112.5	Y333 E334 K351 K352	Y333-A337 WeakPolarHBondContact O-CB 3.47Å; Y333-A337 PolarHBondContact O-N 2.86Å; E334-A337 PolarHBondContact O-N 2.74Å; A337-K351 WeakPolarHBondContact O-CD 3.46Å; A337-K352 HydrophobicContact CB-CG 3.86Å
338	R	85.8	Confident	84.2	Confident	157 Å²	157	55.1 Å²	55.1	59%	0.592	31%	0.306	S	S	*	.	H	α-helix	trans	-71.8	-37.2	174.4	-70.2	-179.2	-168.6	158	12.2	112.7	E334 R335 I336 I340	E334-R338 WeakPolarHBondContact O-CG 3.45Å; E334-R338 PolarHBondContact O-N 3.01Å; E334-R338 IonicContact OE2-NH2 3.54Å; E334-R338 PolarHBondContact OE2-NH2 2.85Å; R335-R338 PolarHBondContact O-N 3.26Å; I336-R338 VanDerWaalsContact C-N 3.3Å; I336-R338 PolarHBondContact O-N 3.41Å; R338-I340 PolarHBondContact O-N 2.94Å
339	S	84.3	Confident	84.4	Confident	8 Å²	8	53.6 Å²	53.6	6%	0.056	29%	0.287	C	S	.	.	H	α-helix	trans	-68.3	-21.2	177.7	-57	0	0	0	0	112.8	R335 I336 A341 I555	R335-S339 WeakPolarHBondContact O-CB 3.44Å; R335-S339 PolarHBondContact O-N 3.12Å; R335-S339 PolarHBondContact O-OG 2.93Å; I336-S339 PolarHBondContact O-N 3.19Å; I336-S339 VanDerWaalsContact O-N 3.16Å; S339-A341 PolarHBondContact O-N 3.03Å; S339-I555 PolarHBondContact OG-N 3.43Å
340	I	83.9	Confident	84.6	Confident	1 Å²	1	51 Å²	51	1%	0.005	27%	0.273	C	S	.	.	S	Bend	trans	-76	116	174.4	-67.2	162.3	0	0	0	109.8	I336 R338 K351 I354 A355 L358 F394 M560	I336-I340 HydrophobicContact CG2-CD1 3.94Å; I336-I340 HydrophobicContact CG2-CG1 4.48Å; I336-I340 WeakPolarHBondContact O-CG1 3.47Å; I336-I340 PolarHBondContact O-N 3.48Å; R338-I340 PolarHBondContact O-N 2.94Å; I340-K351 WeakPolarHBondContact O-CD 3.12Å; I340-K351 WeakPolarHBondContact O-CE 3.35Å; I340-K351 PolarHBondContact O-NZ 2.83Å; I340-K351 VanDerWaalsContact O-NZ 3.11Å; I340-I354 HydrophobicContact CD1-CG2 4.48Å; I340-I354 HydrophobicContact CG2-CG2 4.25Å; I340-A355 HydrophobicContact CD1-CB 3.68Å; I340-L358 HydrophobicContact CD1-CD1 4.32Å; I340-F394 HydrophobicContact CB-CE1 4.3Å; I340-F394 HydrophobicContact CG2-CD1 4.12Å; I340-F394 HydrophobicContact CG2-CE1 4.07Å; I340-M560 HydrophobicContact CD1-CE 4.1Å; I340-M560 HydrophobicContact CG1-CE 3.68Å
341	A	79.9	Confident	85.1	Confident	1 Å²	1	45.6 Å²	45.6	1%	0.008	24%	0.236	C	C	.	.			trans	51.5	71.8	179.9	0	0	0	0	0	112.8	S339 S343 I344 K351 F394	S339-A341 PolarHBondContact O-N 3.03Å; A341-S343 PolarHBondContact O-N 3.24Å; A341-I344 HydrophobicContact CB-CB 4.34Å; A341-I344 HydrophobicContact CB-CD1 3.92Å; A341-I344 HydrophobicContact CB-CG1 4.15Å; A341-I344 PolarHBondContact O-N 3.08Å; A341-I344 VanDerWaalsContact O-N 3.12Å; A341-K351 PolarHBondContact O-NZ 2.87Å; A341-F394 HydrophobicContact CB-CB 4.43Å; A341-F394 HydrophobicContact CB-CD1 4.09Å; A341-F394 HydrophobicContact CB-CD2 4.42Å; A341-F394 HydrophobicContact CB-CG 4.05Å
342	P	80.5	Confident	85.4	Confident	55 Å²	55	44 Å²	44	36%	0.357	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.1	-23	177	26.2	-33.8	0	0	0	112.2	I344 H536	P342-I344 VanDerWaalsContact C-N 3.26Å; P342-I344 PolarHBondContact O-N 3.12Å; P342-H536 PolarHBondContact O-CE1 3.35Å; P342-H536 PolarHBondContact O-NE2 2.95Å
343	S	81	Confident	85.7	Confident	47 Å²	47	43.9 Å²	43.9	33%	0.329	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.5	-17.8	176.9	58.5	0	0	0	0	114.3	A341 H536	A341-S343 PolarHBondContact O-N 3.24Å; S343-H536 PolarHBondContact O-CE1 3.22Å
344	I	83.8	Confident	85.9	Confident	21 Å²	21	42.5 Å²	42.5	11%	0.108	21%	0.213	C	C	.	.	S	Bend	trans	-103	118.2	-177.1	-57.4	176.3	0	0	0	109.5	A341 P342 K351 A387 Q390 L391	A341-I344 HydrophobicContact CB-CB 4.34Å; A341-I344 HydrophobicContact CB-CD1 3.92Å; A341-I344 HydrophobicContact CB-CG1 4.15Å; A341-I344 PolarHBondContact O-N 3.08Å; A341-I344 VanDerWaalsContact O-N 3.12Å; P342-I344 VanDerWaalsContact C-N 3.26Å; P342-I344 PolarHBondContact O-N 3.12Å; I344-K351 PolarHBondContact O-NZ 3.28Å; I344-A387 HydrophobicContact CD1-CB 3.82Å; I344-A387 HydrophobicContact CG1-CB 3.99Å; I344-A387 HydrophobicContact CG2-CB 4.3Å; I344-Q390 HydrophobicContact CD1-CB 4.14Å; I344-L391 HydrophobicContact CD1-CB 3.85Å
345	Y	81.8	Confident	86.1	Confident	115 Å²	115	38 Å²	38	45%	0.451	19%	0.192	S	C	.	.			trans	-78.5	135.4	174	-175.2	-107	0	0	0	111.8	A532 L533 H536	Y345-A532 HydrophobicContact CE1-CB 3.78Å; Y345-L533 HydrophobicContact CD1-CB 4.5Å; Y345-L533 HydrophobicContact CD1-CD1 4.34Å; Y345-H536 HydrophobicContact CD2-CB 4.26Å; Y345-H536 AromaticContact CD2-CD2 3.88Å; Y345-H536 HydrophobicContact CG-CB 4.32Å
346	G	80.4	Confident	86.3	Confident	32 Å²	32	33.9 Å²	33.9	33%	0.33	18%	0.177	S	C	.	.	S	Bend	trans	79.4	-161.3	175.4	0	0	0	0	0	115.2	E348 K351	G346-E348 PolarHBondContact O-N 3.38Å; G346-K351 WeakPolarHBondContact O-CE 3.46Å
347	S	80	Confident	86.5	Confident	56 Å²	56	33.8 Å²	33.8	39%	0.392	18%	0.176	S	C	.	.			trans	53.2	45.4	-178.4	-56.8	0	0	0	0	114.7	D349 V350 K351	S347-D349 VanDerWaalsContact C-N 3.25Å; S347-D349 PolarHBondContact O-N 3.42Å; S347-V350 WeakPolarHBondContact O-CB 3.34Å; S347-V350 PolarHBondContact O-N 3.29Å; S347-V350 VanDerWaalsContact O-N 3.09Å; S347-K351 PolarHBondContact O-N 3.37Å; S347-K351 VanDerWaalsContact O-N 3.13Å
348	E	86.1	Confident	86.7	Confident	112 Å²	112	33.5 Å²	33.5	52%	0.523	17%	0.174	S	C	.	.	H	α-helix	trans	-57.9	-36.8	-178.4	-62.3	-170.4	170	0	0	112.9	G346 V350 K351 K352	G346-E348 PolarHBondContact O-N 3.38Å; E348-V350 VanDerWaalsContact C-N 3.32Å; E348-V350 PolarHBondContact O-N 3Å; E348-K351 PolarHBondContact O-N 3.44Å; E348-K352 WeakPolarHBondContact O-CB 3.25Å; E348-K352 VanDerWaalsContact O-CG 3.25Å; E348-K352 WeakPolarHBondContact O-CG 3.41Å; E348-K352 PolarHBondContact O-N 2.76Å
349	D	89.4	Confident	86.8	Confident	46 Å²	46	26.1 Å²	26.1	25%	0.246	15%	0.146	C	C	.	.	H	α-helix	trans	-64.7	-36.1	178.2	-68.3	-38.3	0	0	0	112.6	S347 A353 F519 R647 L648 V651	S347-D349 VanDerWaalsContact C-N 3.25Å; S347-D349 PolarHBondContact O-N 3.42Å; D349-A353 PolarHBondContact O-N 2.86Å; D349-F519 HydrophobicContact CB-CE1 4.48Å; D349-R647 IonicContact OD1-CZ 3.71Å; D349-R647 VanDerWaalsContact OD1-CZ 3.24Å; D349-R647 IonicContact OD1-NH1 3.88Å; D349-R647 PolarHBondContact OD1-NH1 2.84Å; D349-R647 IonicContact OD1-NH2 3.37Å; D349-R647 PolarHBondContact OD1-NH2 3.5Å; D349-R647 IonicContact OD2-NH1 3.67Å; D349-L648 HydrophobicContact CB-CD2 4.31Å; D349-V651 HydrophobicContact CB-CG1 4.36Å
350	V	90.3	Very high	87	Confident	9 Å²	9	25.9 Å²	25.9	6%	0.055	15%	0.145	C	C	.	.	H	α-helix	trans	-67.4	-45.4	174.9	179.6	0	0	0	0	109.8	S347 E348 K352 A353 I354 L380 L391 F519	S347-V350 WeakPolarHBondContact O-CB 3.34Å; S347-V350 PolarHBondContact O-N 3.29Å; S347-V350 VanDerWaalsContact O-N 3.09Å; E348-V350 VanDerWaalsContact C-N 3.32Å; E348-V350 PolarHBondContact O-N 3Å; V350-K352 VanDerWaalsContact C-N 3.34Å; V350-K352 PolarHBondContact O-N 2.84Å; V350-A353 PolarHBondContact O-N 3.3Å; V350-I354 HydrophobicContact CG1-CD1 3.8Å; V350-I354 WeakPolarHBondContact O-CD1 3.48Å; V350-I354 VanDerWaalsContact O-CG1 3.3Å; V350-I354 WeakPolarHBondContact O-CG1 3.4Å; V350-I354 PolarHBondContact O-N 3.4Å; V350-L380 HydrophobicContact CG1-CD2 3.67Å; V350-L391 HydrophobicContact CG1-CD1 4.18Å; V350-F519 HydrophobicContact CG2-CB 4.05Å; V350-F519 HydrophobicContact CG2-CD1 4.06Å; V350-F519 HydrophobicContact CG2-CD2 4.47Å; V350-F519 HydrophobicContact CG2-CG 3.92Å
351	K	90.8	Very high	87	Confident	16 Å²	16	26.1 Å²	26.1	7%	0.07	15%	0.147	C	C	.	.	H	α-helix	trans	-61.9	-40.8	177.2	-64.3	-176.1	-179.4	-161.2	0	112.1	A337 I340 A341 I344 G346 S347 E348 I354 A355	A337-K351 WeakPolarHBondContact O-CD 3.46Å; I340-K351 WeakPolarHBondContact O-CD 3.12Å; I340-K351 WeakPolarHBondContact O-CE 3.35Å; I340-K351 PolarHBondContact O-NZ 2.83Å; I340-K351 VanDerWaalsContact O-NZ 3.11Å; A341-K351 PolarHBondContact O-NZ 2.87Å; I344-K351 PolarHBondContact O-NZ 3.28Å; G346-K351 WeakPolarHBondContact O-CE 3.46Å; S347-K351 PolarHBondContact O-N 3.37Å; S347-K351 VanDerWaalsContact O-N 3.13Å; E348-K351 PolarHBondContact O-N 3.44Å; K351-I354 PolarHBondContact O-N 2.74Å; K351-A355 PolarHBondContact O-N 3.26Å
352	K	91.4	Very high	87.3	Confident	23 Å²	23	26.7 Å²	26.7	10%	0.1	15%	0.151	C	C	.	.	H	α-helix	trans	-60.3	-45.3	174.1	-79.2	172.9	177.6	-179	0	112.1	Y333 A337 E348 V350 I354 A355 C356 E644 L648	Y333-K352 HydrophobicContact CE1-CD 3.92Å; Y333-K352 HydrophobicContact CE1-CG 4.07Å; Y333-K352 HydrophobicContact CE2-CB 4.3Å; Y333-K352 HydrophobicContact CE2-CG 4.14Å; Y333-K352 WeakPolarHBondContact OH-CB 3.37Å; Y333-K352 WeakPolarHBondContact OH-CD 3.36Å; Y333-K352 WeakPolarHBondContact OH-CG 3.29Å; A337-K352 HydrophobicContact CB-CG 3.86Å; E348-K352 WeakPolarHBondContact O-CB 3.25Å; E348-K352 VanDerWaalsContact O-CG 3.25Å; E348-K352 WeakPolarHBondContact O-CG 3.41Å; E348-K352 PolarHBondContact O-N 2.76Å; V350-K352 VanDerWaalsContact C-N 3.34Å; V350-K352 PolarHBondContact O-N 2.84Å; K352-I354 PolarHBondContact O-N 3.18Å; K352-A355 WeakPolarHBondContact O-CB 3.34Å; K352-A355 PolarHBondContact O-N 3.22Å; K352-C356 PolarHBondContact O-N 3.29Å; K352-C356 VanDerWaalsContact O-N 3.1Å; K352-C356 PolarHBondContact O-SG 3.08Å; K352-C356 VanDerWaalsContact O-SG 3.41Å; K352-E644 IonicContact NZ-OE1 3.24Å; K352-L648 HydrophobicContact CB-CD1 4.48Å; K352-L648 HydrophobicContact CB-CD2 4.05Å
353	A	91.7	Very high	87.4	Confident	2 Å²	2	26.8 Å²	26.8	2%	0.017	14%	0.144	C	C	.	.	H	α-helix	trans	-66.6	-36.4	176.5	0	0	0	0	0	113.1	D349 V350 A355 C356 L357 F519	D349-A353 PolarHBondContact O-N 2.86Å; V350-A353 PolarHBondContact O-N 3.3Å; A353-A355 VanDerWaalsContact C-N 3.34Å; A353-C356 WeakPolarHBondContact O-CB 3.46Å; A353-C356 PolarHBondContact O-N 2.86Å; A353-L357 PolarHBondContact O-N 3.45Å; A353-F519 HydrophobicContact CB-CD2 4.48Å; A353-F519 HydrophobicContact CB-CE2 3.28Å; A353-F519 HydrophobicContact CB-CZ 3.41Å; A353-F519 VanDerWaalsContact CB-CZ 3.41Å
354	I	92.5	Very high	87.5	Confident	0 Å²	0	26.6 Å²	26.6	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-65.3	-39.1	173.4	-69.9	157.4	0	0	0	111.2	I340 V350 K351 K352 C356 L357 L358 L391 V395	I340-I354 HydrophobicContact CD1-CG2 4.48Å; I340-I354 HydrophobicContact CG2-CG2 4.25Å; V350-I354 HydrophobicContact CG1-CD1 3.8Å; V350-I354 WeakPolarHBondContact O-CD1 3.48Å; V350-I354 VanDerWaalsContact O-CG1 3.3Å; V350-I354 WeakPolarHBondContact O-CG1 3.4Å; V350-I354 PolarHBondContact O-N 3.4Å; K351-I354 PolarHBondContact O-N 2.74Å; K352-I354 PolarHBondContact O-N 3.18Å; I354-C356 VanDerWaalsContact C-N 3.3Å; I354-C356 PolarHBondContact O-N 2.87Å; I354-L357 WeakPolarHBondContact O-CB 3.42Å; I354-L357 PolarHBondContact O-N 3.05Å; I354-L357 VanDerWaalsContact O-N 3.14Å; I354-L358 HydrophobicContact CG2-CD1 4.38Å; I354-L358 WeakPolarHBondContact O-CG 3.43Å; I354-L358 PolarHBondContact O-N 3.46Å; I354-L391 HydrophobicContact CD1-CD1 3.51Å; I354-L391 HydrophobicContact CD1-CD2 3.24Å; I354-L391 HydrophobicContact CD1-CG 3.68Å; I354-L391 HydrophobicContact CG1-CD2 4.3Å; I354-V395 HydrophobicContact CG2-CG2 3.38Å
355	A	91.7	Very high	87.3	Confident	0 Å²	0	31.8 Å²	31.8	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-57.1	-47.4	172.6	0	0	0	0	0	110.4	I336 I340 K351 K352 A353 L357 L358 F359	I336-A355 HydrophobicContact CG2-CB 4.02Å; I340-A355 HydrophobicContact CD1-CB 3.68Å; K351-A355 PolarHBondContact O-N 3.26Å; K352-A355 WeakPolarHBondContact O-CB 3.34Å; K352-A355 PolarHBondContact O-N 3.22Å; A353-A355 VanDerWaalsContact C-N 3.34Å; A355-L357 VanDerWaalsContact C-N 3.31Å; A355-L357 PolarHBondContact O-N 2.92Å; A355-L358 PolarHBondContact O-N 3.31Å; A355-L358 VanDerWaalsContact O-N 3.16Å; A355-F359 WeakPolarHBondContact O-CD2 3.17Å; A355-F359 PolarHBondContact O-N 3.28Å
356	C	91.6	Very high	87.2	Confident	1 Å²	1	31 Å²	31	1%	0.007	16%	0.158	C	C	.	.	H	α-helix	trans	-58.6	-41.1	174.8	-64.4	0	0	0	0	112.5	K352 A353 I354 L358 F359 G360 I376 A627	K352-C356 PolarHBondContact O-N 3.29Å; K352-C356 VanDerWaalsContact O-N 3.1Å; K352-C356 PolarHBondContact O-SG 3.08Å; K352-C356 VanDerWaalsContact O-SG 3.41Å; A353-C356 WeakPolarHBondContact O-CB 3.46Å; A353-C356 PolarHBondContact O-N 2.86Å; I354-C356 VanDerWaalsContact C-N 3.3Å; I354-C356 PolarHBondContact O-N 2.87Å; C356-L358 VanDerWaalsContact C-N 3.35Å; C356-L358 PolarHBondContact O-N 3.06Å; C356-F359 PolarHBondContact O-N 3.17Å; C356-G360 PolarHBondContact O-N 3.39Å; C356-I376 HydrophobicContact CB-CD1 4.25Å; C356-A627 HydrophobicContact CB-CB 4.08Å; C356-A627 WeakPolarHBondContact O-CB 3Å
357	L	92.8	Very high	87.3	Confident	1 Å²	1	35.6 Å²	35.6	1%	0.005	18%	0.183	C	C	.	.	H	α-helix	trans	-61.3	-41.5	176.1	-179.7	151.8	0	0	0	111.9	A353 I354 A355 F359 G360 V378 V442 A484 L486	A353-L357 PolarHBondContact O-N 3.45Å; I354-L357 WeakPolarHBondContact O-CB 3.42Å; I354-L357 PolarHBondContact O-N 3.05Å; I354-L357 VanDerWaalsContact O-N 3.14Å; A355-L357 VanDerWaalsContact C-N 3.31Å; A355-L357 PolarHBondContact O-N 2.92Å; L357-F359 VanDerWaalsContact C-N 3.34Å; L357-F359 PolarHBondContact O-N 2.99Å; L357-G360 PolarHBondContact O-N 3.35Å; L357-V378 HydrophobicContact CB-CG2 4.33Å; L357-V378 HydrophobicContact CD1-CB 3.98Å; L357-V378 HydrophobicContact CD1-CG2 3.76Å; L357-V442 HydrophobicContact CD2-CB 4.25Å; L357-V442 HydrophobicContact CD2-CG1 3.64Å; L357-V442 HydrophobicContact CD2-CG2 3.52Å; L357-A484 HydrophobicContact CD1-CB 4.48Å; L357-A484 HydrophobicContact CD2-CB 4.21Å; L357-A484 HydrophobicContact CG-CB 4.07Å; L357-L486 HydrophobicContact CD1-CB 4.06Å; L357-L486 HydrophobicContact CD1-CD1 4.35Å
358	L	90.6	Very high	87.2	Confident	1 Å²	1	39.2 Å²	39.2	1%	0.005	20%	0.198	C	C	.	.	H	α-helix	trans	-65.9	-32.4	178.8	-72.8	172.4	0	0	0	112.8	I340 I354 A355 C356 V395 V398 V442 M560 I564 R568	I340-L358 HydrophobicContact CD1-CD1 4.32Å; I354-L358 HydrophobicContact CG2-CD1 4.38Å; I354-L358 WeakPolarHBondContact O-CG 3.43Å; I354-L358 PolarHBondContact O-N 3.46Å; A355-L358 PolarHBondContact O-N 3.31Å; A355-L358 VanDerWaalsContact O-N 3.16Å; C356-L358 VanDerWaalsContact C-N 3.35Å; C356-L358 PolarHBondContact O-N 3.06Å; L358-V395 HydrophobicContact CD2-CG1 4.17Å; L358-V398 HydrophobicContact CD1-CG1 3.72Å; L358-V398 HydrophobicContact CD2-CG1 4.44Å; L358-V442 HydrophobicContact CD2-CG2 4.36Å; L358-M560 HydrophobicContact CD1-CE 3.81Å; L358-I564 HydrophobicContact CB-CD1 4.05Å; L358-I564 HydrophobicContact CD1-CD1 4.1Å; L358-I564 HydrophobicContact CD2-CD1 4.5Å; L358-I564 HydrophobicContact CG-CD1 4.46Å; L358-I564 VanDerWaalsContact O-CG2 3.25Å; L358-I564 WeakPolarHBondContact O-CG2 3.14Å; L358-R568 PolarHBondContact O-NE 2.84Å; L358-R568 PolarHBondContact O-NH2 2.94Å
359	F	89.3	Confident	86.6	Confident	2 Å²	2	36.7 Å²	36.7	1%	0.009	20%	0.201	C	C	.	.	H	α-helix	trans	-84	-36.2	174.9	-69.7	-73.8	0	0	0	113	I336 A355 C356 L357 Y563 I564 C567 R568 K630 L631	I336-F359 HydrophobicContact CD1-CE2 4.08Å; I336-F359 HydrophobicContact CD1-CZ 3.92Å; A355-F359 WeakPolarHBondContact O-CD2 3.17Å; A355-F359 PolarHBondContact O-N 3.28Å; C356-F359 PolarHBondContact O-N 3.17Å; L357-F359 VanDerWaalsContact C-N 3.34Å; L357-F359 PolarHBondContact O-N 2.99Å; F359-Y563 AromaticContact CE1-CD1 3.93Å; F359-Y563 HydrophobicContact CE1-CD1 3.93Å; F359-Y563 AromaticContact CE1-CE1 3.86Å; F359-Y563 HydrophobicContact CE1-CE1 3.86Å; F359-Y563 AromaticContact CZ-CD1 3.87Å; F359-Y563 HydrophobicContact CZ-CD1 3.87Å; F359-Y563 AromaticContact CZ-CE1 3.76Å; F359-Y563 HydrophobicContact CZ-CE1 3.76Å; F359-I564 HydrophobicContact CE1-CG1 4Å; F359-I564 HydrophobicContact CZ-CG1 4.1Å; F359-C567 HydrophobicContact CD1-CB 3.83Å; F359-C567 HydrophobicContact CE1-CB 3.87Å; F359-R568 WeakPolarHBondContact O-CG 3.5Å; F359-K630 HydrophobicContact CB-CD 4.35Å; F359-K630 PolarHBondContact O-NZ 3.39Å; F359-L631 HydrophobicContact CD2-CB 3.95Å; F359-L631 HydrophobicContact CD2-CD1 3.85Å; F359-L631 HydrophobicContact CD2-CG 4.02Å; F359-L631 HydrophobicContact CE2-CB 4.01Å; F359-L631 HydrophobicContact CE2-CD1 3.52Å; F359-L631 HydrophobicContact CE2-CG 3.59Å; F359-L631 HydrophobicContact CG-CB 4.34Å; F359-L631 HydrophobicContact CZ-CB 4.4Å; F359-L631 HydrophobicContact CZ-CD1 4.36Å; F359-L631 HydrophobicContact CZ-CG 3.98Å
360	G	86.8	Confident	86.1	Confident	2 Å²	2	39.3 Å²	39.3	2%	0.021	22%	0.215	C	C	.	.			trans	64	165	-175.7	0	0	0	0	0	113.5	C356 L357 K630	C356-G360 PolarHBondContact O-N 3.39Å; L357-G360 PolarHBondContact O-N 3.35Å; G360-K630 VanDerWaalsContact O-CE 3.29Å; G360-K630 WeakPolarHBondContact O-CE 3.13Å; G360-K630 PolarHBondContact O-NZ 3.33Å
361	G	85.7	Confident	85.5	Confident	6 Å²	6	42.8 Å²	42.8	6%	0.062	23%	0.232	C	C	.	.			trans	-81.5	-165.5	175.2	0	0	0	0	0	113.3	G374 K630	G361-G374 WeakPolarHBondContact CA-O 3.27Å; G361-G374 PolarHBondContact N-O 3.04Å; G361-K630 PolarHBondContact O-NZ 3.47Å
362	S	85.1	Confident	85	Confident	13 Å²	13	47.7 Å²	47.7	9%	0.091	25%	0.25	C	S	.	.			trans	-99.7	128.2	175.3	-174.6	0	0	0	0	111	K364 R574 E626	S362-K364 PolarHBondContact O-N 2.99Å; S362-R574 VanDerWaalsContact CB-NH1 3.31Å; S362-R574 PolarHBondContact OG-NH1 3.1Å; S362-E626 WeakPolarHBondContact CB-OE2 3.33Å; S362-E626 PolarHBondContact N-OE2 3.34Å
363	R	83.5	Confident	84.6	Confident	57 Å²	57	48.4 Å²	48.4	22%	0.215	25%	0.253	C	S	.	.			trans	-74.1	119.1	171.1	-166.6	176.9	-170	-160.6	2.3	109.4	I371	R363-I371 HydrophobicContact CG-CG2 3.86Å
364	K	82.5	Confident	84.1	Confident	43 Å²	43	48.4 Å²	48.4	19%	0.187	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	120	-178.8	-60.8	174.1	-171	169.9	0	109.4	S362 F366 R372 E626	S362-K364 PolarHBondContact O-N 2.99Å; K364-F366 HydrophobicContact CB-CE2 4.17Å; K364-R372 HydrophobicContact CB-CB 4.44Å; K364-R372 PolarHBondContact O-N 2.8Å; K364-E626 WeakPolarHBondContact CE-OE1 3.3Å; K364-E626 IonicContact NZ-OE1 3.79Å; K364-E626 PolarHBondContact NZ-OE1 3.29Å
365	K	80	Confident	84	Confident	130 Å²	130	50 Å²	50	57%	0.565	26%	0.261	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-96.9	117.2	167.4	-64.5	-173.3	178.3	-176.4	0	107.5	I306 I371	I306-K365 HydrophobicContact CD1-CD 4.46Å; K365-I371 HydrophobicContact CG-CG1 4.39Å
366	F	78.4	Confident	83.9	Confident	98 Å²	98	50 Å²	50	43%	0.43	26%	0.261	S	S	.	.			trans	-80	155.2	170.6	-73.8	-89	0	0	0	109.7	K364 D368 G369 L370 R372	K364-F366 HydrophobicContact CB-CE2 4.17Å; F366-D368 PolarHBondContact O-N 3.06Å; F366-D368 VanDerWaalsContact O-N 3.14Å; F366-G369 PolarHBondContact O-N 3.41Å; F366-L370 PolarHBondContact N-O 3.04Å; F366-R372 HydrophobicContact CD2-CG 4.19Å; F366-R372 HydrophobicContact CE2-CB 4.49Å; F366-R372 HydrophobicContact CE2-CG 3.64Å
367	P	82.4	Confident	84	Confident	130 Å²	130	50 Å²	50	84%	0.844	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.3	-25.8	174	23.5	-33.9	0	0	0	112.4	G369	P367-G369 PolarHBondContact O-N 3.37Å; P367-G369 VanDerWaalsContact O-N 3.11Å
368	D	79.2	Confident	84	Confident	132 Å²	132	49.9 Å²	49.9	71%	0.706	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70	0.4	176.4	-55.5	-15.4	0	0	0	114.2	F366 L370	F366-D368 PolarHBondContact O-N 3.06Å; F366-D368 VanDerWaalsContact O-N 3.14Å; D368-L370 PolarHBondContact O-N 2.96Å
369	G	74.1	Confident	84	Confident	58 Å²	58	49.9 Å²	49.9	60%	0.598	26%	0.26	S	S	*	.	S	Bend	trans	77.6	-9.4	-175.3	0	0	0	0	0	114.2	F366 P367 I371	F366-G369 PolarHBondContact O-N 3.41Å; P367-G369 PolarHBondContact O-N 3.37Å; P367-G369 VanDerWaalsContact O-N 3.11Å; G369-I371 PolarHBondContact O-N 2.71Å
370	L	77.4	Confident	84.1	Confident	102 Å²	102	49.8 Å²	49.8	53%	0.534	26%	0.26	S	S	.	.	P	Polyproline II helix	trans	-64.1	121.9	172.3	-73.1	171.1	0	0	0	110.3	F366 D368	F366-L370 PolarHBondContact N-O 3.04Å; D368-L370 PolarHBondContact O-N 2.96Å
371	I	78.6	Confident	84.1	Confident	81 Å²	81	49.9 Å²	49.9	42%	0.415	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	117	176.6	-52	178.6	0	0	0	107.5	R363 K365 G369	R363-I371 HydrophobicContact CG-CG2 3.86Å; K365-I371 HydrophobicContact CG-CG1 4.39Å; G369-I371 PolarHBondContact O-N 2.71Å
372	R	80.6	Confident	84	Confident	119 Å²	119	49.6 Å²	49.6	45%	0.449	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	137.4	168.6	-67.4	-68.6	175.8	173.3	-10.4	109.8	K364 F366 E619	K364-R372 HydrophobicContact CB-CB 4.44Å; K364-R372 PolarHBondContact O-N 2.8Å; F366-R372 HydrophobicContact CD2-CG 4.19Å; F366-R372 HydrophobicContact CE2-CB 4.49Å; F366-R372 HydrophobicContact CE2-CG 3.64Å; R372-E619 IonicContact CZ-OE1 2.67Å; R372-E619 IonicContact NH1-OE1 3.04Å; R372-E619 PolarHBondContact NH1-OE1 2.63Å
373	R	82.9	Confident	84	Confident	39 Å²	39	49.9 Å²	49.9	15%	0.147	26%	0.257	C	S	.	.	P	Polyproline II helix	trans	-58.9	135	175.7	-176.4	169.1	-173.1	-150.6	-11.3	110.8	N377 M463 Q466 R623	R373-N377 VanDerWaalsContact CZ-ND2 3.26Å; R373-N377 PolarHBondContact NH1-ND2 3.36Å; R373-N377 PolarHBondContact NH2-ND2 2.85Å; R373-N377 PolarHBondContact NH2-OD1 3.46Å; R373-M463 WeakPolarHBondContact CD-O 3.18Å; R373-M463 PolarHBondContact NE-O 2.99Å; R373-M463 PolarHBondContact NH1-O 2.67Å; R373-Q466 HydrophobicContact CG-CG 4.34Å; R373-R623 WeakPolarHBondContact O-CD 3.49Å
374	G	80.5	Confident	84	Confident	1 Å²	1	51.1 Å²	51.1	1%	0.01	27%	0.273	C	S	.	.			trans	-105.8	-23	176.7	0	0	0	0	0	114.1	G361	G361-G374 WeakPolarHBondContact CA-O 3.27Å; G361-G374 PolarHBondContact N-O 3.04Å
375	D	89.5	Confident	83.9	Confident	33 Å²	33	52.7 Å²	52.7	18%	0.176	30%	0.301	C	S	.	.			trans	-83.7	152.9	-171.8	-55.3	-39.2	0	0	0	111.9	Q466 A484 R623	D375-Q466 PolarHBondContact OD2-NE2 3.08Å; D375-A484 HydrophobicContact CB-CB 4.24Å; D375-R623 PolarHBondContact O-NH1 3.01Å
376	I	91.4	Very high	84.1	Confident	1 Å²	1	48.6 Å²	48.6	1%	0.005	29%	0.285	C	S	.	.			trans	-107.7	133.8	-177.9	-58.7	168	0	0	0	109.1	C356 V378 A484 D516 R623 M624 A627	C356-I376 HydrophobicContact CB-CD1 4.25Å; I376-V378 HydrophobicContact CG2-CG2 4.37Å; I376-A484 WeakPolarHBondContact O-CB 3.41Å; I376-D516 VanDerWaalsContact CA-OD2 3.25Å; I376-D516 WeakPolarHBondContact CA-OD2 3.45Å; I376-D516 HydrophobicContact CG2-CB 3.99Å; I376-R623 HydrophobicContact CD1-CB 4.38Å; I376-R623 HydrophobicContact CG1-CB 3.91Å; I376-M624 HydrophobicContact CD1-CG 4.1Å; I376-M624 HydrophobicContact CG2-CG 4.44Å; I376-A627 HydrophobicContact CD1-CB 3.72Å
377	N	92.7	Very high	84.5	Confident	0 Å²	0	45.6 Å²	45.6	0%	0	28%	0.278	C	S	.	.			trans	-106.7	133.5	174.4	-75.1	-15.9	0	0	0	111.8	R373 M463 V485 R514 F515 D516 A517	R373-N377 VanDerWaalsContact CZ-ND2 3.26Å; R373-N377 PolarHBondContact NH1-ND2 3.36Å; R373-N377 PolarHBondContact NH2-ND2 2.85Å; R373-N377 PolarHBondContact NH2-OD1 3.46Å; N377-M463 HydrophobicContact CB-CE 4.31Å; N377-M463 WeakPolarHBondContact ND2-CE 3.48Å; N377-V485 WeakPolarHBondContact CA-O 3.28Å; N377-V485 PolarHBondContact OD1-N 2.94Å; N377-R514 PolarHBondContact ND2-O 3.43Å; N377-F515 HydrophobicContact CB-CD1 3.69Å; N377-F515 HydrophobicContact CB-CE1 4.23Å; N377-F515 HydrophobicContact CB-CG 4.48Å; N377-D516 PolarHBondContact N-OD2 3.31Å; N377-D516 WeakPolarHBondContact O-CB 3.35Å; N377-D516 PolarHBondContact O-N 3.3Å; N377-A517 PolarHBondContact O-N 2.89Å
378	V	92.4	Very high	84.7	Confident	0 Å²	0	39.9 Å²	39.9	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	133.4	178.7	178.2	0	0	0	0	109.8	L357 I376 L380 V485 L486 A487 A517 F519	L357-V378 HydrophobicContact CB-CG2 4.33Å; L357-V378 HydrophobicContact CD1-CB 3.98Å; L357-V378 HydrophobicContact CD1-CG2 3.76Å; I376-V378 HydrophobicContact CG2-CG2 4.37Å; V378-L380 HydrophobicContact CG1-CD2 3.95Å; V378-V485 PolarHBondContact N-O 3.3Å; V378-L486 HydrophobicContact CB-CD1 3.71Å; V378-L486 HydrophobicContact CG1-CD1 3.82Å; V378-L486 WeakPolarHBondContact O-CA 3.15Å; V378-A487 PolarHBondContact O-N 3.42Å; V378-A517 WeakPolarHBondContact CA-O 3.42Å; V378-A517 HydrophobicContact CG2-CB 4.38Å; V378-F519 HydrophobicContact CG1-CD2 3.9Å; V378-F519 HydrophobicContact CG1-CE2 4.05Å
379	L	91.5	Very high	85.1	Confident	0 Å²	0	35.9 Å²	35.9	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	128	174.7	-179.9	64.8	0	0	0	109.9	L381 A487 A489 L512 F515 A517 I518 F519	L379-L381 HydrophobicContact CD1-CD2 4.32Å; L379-L381 HydrophobicContact CD2-CD1 4.32Å; L379-L381 HydrophobicContact CD2-CD2 4.05Å; L379-L381 HydrophobicContact CD2-CG 4.15Å; L379-L381 HydrophobicContact CG-CD2 4.07Å; L379-L381 HydrophobicContact CG-CG 4.12Å; L379-A487 CarbonylContact C-O 3.52Å; L379-A487 WeakPolarHBondContact CA-O 3.5Å; L379-A487 HydrophobicContact CD1-CB 3.7Å; L379-A489 HydrophobicContact CD1-CB 4.5Å; L379-L512 HydrophobicContact CD2-CD2 3.7Å; L379-F515 HydrophobicContact CB-CB 4.18Å; L379-F515 HydrophobicContact CB-CD1 3.69Å; L379-F515 HydrophobicContact CB-CD2 4.2Å; L379-F515 HydrophobicContact CB-CE1 4.08Å; L379-F515 HydrophobicContact CB-CG 3.77Å; L379-F515 HydrophobicContact CB-CZ 4.47Å; L379-F515 HydrophobicContact CD1-CE2 4.43Å; L379-F515 HydrophobicContact CD1-CZ 4.29Å; L379-F515 HydrophobicContact CD2-CD2 4.09Å; L379-F515 HydrophobicContact CD2-CE2 4.32Å; L379-F515 HydrophobicContact CD2-CG 4.43Å; L379-A517 PolarHBondContact N-O 3.36Å; L379-I518 HydrophobicContact CB-CG1 4.38Å; L379-I518 HydrophobicContact CD2-CG1 4.45Å; L379-I518 HydrophobicContact CD2-CG2 4.23Å; L379-I518 CarbonylContact O-C 3.49Å; L379-I518 WeakPolarHBondContact O-CA 3.35Å; L379-F519 PolarHBondContact O-N 3.43Å
380	L	90.9	Very high	85.8	Confident	0 Å²	0	38.8 Å²	38.8	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	106.4	176.5	-53	179.3	0	0	0	109.5	V350 V378 K388 L391 L486 A487 A488 A489 F519	V350-L380 HydrophobicContact CG1-CD2 3.67Å; V378-L380 HydrophobicContact CG1-CD2 3.95Å; L380-K388 HydrophobicContact CB-CD 4.48Å; L380-L391 HydrophobicContact CD1-CD2 3.74Å; L380-L486 HydrophobicContact CD1-CD1 4.29Å; L380-L486 HydrophobicContact CG-CD1 4.36Å; L380-A487 PolarHBondContact N-O 3.08Å; L380-A488 WeakPolarHBondContact O-CA 3.27Å; L380-A489 PolarHBondContact O-N 3.06Å; L380-F519 HydrophobicContact CD2-CB 3.98Å; L380-F519 HydrophobicContact CD2-CD2 4.02Å; L380-F519 HydrophobicContact CD2-CG 4.42Å
381	L	87.3	Confident	86.4	Confident	5 Å²	5	34.3 Å²	34.3	3%	0.026	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	154.8	172.8	-60.1	178.6	0	0	0	109.8	L379 A489 W496 I505 F507 I518 F519 V520 M521	L379-L381 HydrophobicContact CD1-CD2 4.32Å; L379-L381 HydrophobicContact CD2-CD1 4.32Å; L379-L381 HydrophobicContact CD2-CD2 4.05Å; L379-L381 HydrophobicContact CD2-CG 4.15Å; L379-L381 HydrophobicContact CG-CD2 4.07Å; L379-L381 HydrophobicContact CG-CG 4.12Å; L381-A489 HydrophobicContact CD2-CB 3.68Å; L381-W496 HydrophobicContact CB-CZ3 4.38Å; L381-I505 HydrophobicContact CD1-CD1 4.07Å; L381-I505 HydrophobicContact CD1-CG1 4.26Å; L381-F507 HydrophobicContact CD2-CD2 4.5Å; L381-F507 HydrophobicContact CD2-CE2 3.86Å; L381-I518 HydrophobicContact CD1-CG2 3.77Å; L381-I518 HydrophobicContact CG-CG2 4.27Å; L381-F519 PolarHBondContact N-O 2.91Å; L381-V520 HydrophobicContact CB-CG2 4.39Å; L381-M521 PolarHBondContact O-N 3.15Å
382	G	83.6	Confident	87	Confident	0 Å²	0	30.4 Å²	30.4	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	149.1	-174	175	0	0	0	0	0	115	K388 M521	G382-K388 PolarHBondContact O-NZ 2.97Å; G382-M521 WeakPolarHBondContact CA-O 3.44Å
383	D	84.2	Confident	87.5	Confident	18 Å²	18	30.3 Å²	30.3	10%	0.096	18%	0.179	C	C	.	.			trans	-73.2	152.8	-178.7	-55	-33.7	0	0	0	111.8	R495 W496 M521 D523	D383-R495 VanDerWaalsContact OD1-CA 3.28Å; D383-R495 WeakPolarHBondContact OD1-CA 3.47Å; D383-W496 PolarHBondContact OD1-N 2.82Å; D383-M521 PolarHBondContact N-O 3.39Å; D383-D523 PolarHBondContact OD2-N 3.22Å
384	P	83.8	Confident	87.8	Confident	84 Å²	84	30 Å²	30	55%	0.545	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65	145.1	169.6	29.5	-33	0	0	0	109.9	G494	P384-G494 WeakPolarHBondContact CD-O 3.34Å
385	G	81.5	Confident	88.3	Confident	75 Å²	75	30 Å²	30	77%	0.773	18%	0.179	S	C	*	.	T	Hydrogen-bonded Turn	trans	100.7	-11.9	179.3	0	0	0	0	0	115.4	A387	G385-A387 PolarHBondContact O-N 3.2Å
386	M	84.4	Confident	88.3	Confident	45 Å²	45	31.7 Å²	31.7	22%	0.222	19%	0.186	C	C	.	.	S	Bend	trans	-77.7	29.3	178.1	-63.4	-72.4	97.6	0	0	114.6	K388 M521 D523	M386-K388 PolarHBondContact O-N 3.06Å; M386-M521 HydrophobicContact CB-CB 4.43Å; M386-M521 HydrophobicContact CB-CE 4.08Å; M386-M521 HydrophobicContact CG-CB 4.49Å; M386-D523 HydrophobicContact CE-CB 3.64Å; M386-D523 VanDerWaalsContact CE-CG 3.44Å; M386-D523 HydrophobicContact SD-CB 3.98Å
387	A	84.8	Confident	87.9	Confident	35 Å²	35	34.1 Å²	34.1	29%	0.289	20%	0.203	S	C	.	.	S	Bend	trans	53.4	19.8	179	0	0	0	0	0	116.8	I344 G385 S389 Q390 L391	I344-A387 HydrophobicContact CD1-CB 3.82Å; I344-A387 HydrophobicContact CG1-CB 3.99Å; I344-A387 HydrophobicContact CG2-CB 4.3Å; G385-A387 PolarHBondContact O-N 3.2Å; A387-S389 PolarHBondContact O-N 3.18Å; A387-Q390 HydrophobicContact CB-CB 4.37Å; A387-Q390 WeakPolarHBondContact O-CB 3.48Å; A387-Q390 PolarHBondContact O-N 3.31Å; A387-Q390 VanDerWaalsContact O-N 3.14Å; A387-L391 PolarHBondContact O-N 2.92Å
388	K	87.2	Confident	87.6	Confident	10 Å²	10	34.1 Å²	34.1	4%	0.043	20%	0.203	C	C	.	.	H	α-helix	trans	-55.3	-47.3	-179.3	-61.7	-179.3	-168.4	163.2	0	113.2	L380 G382 M386 Q390 L391 L392 A488 A489 M521	L380-K388 HydrophobicContact CB-CD 4.48Å; G382-K388 PolarHBondContact O-NZ 2.97Å; M386-K388 PolarHBondContact O-N 3.06Å; K388-Q390 VanDerWaalsContact C-N 3.31Å; K388-Q390 PolarHBondContact O-N 3.3Å; K388-L391 WeakPolarHBondContact O-CB 3.27Å; K388-L391 PolarHBondContact O-N 3.09Å; K388-L391 VanDerWaalsContact O-N 3.15Å; K388-L392 PolarHBondContact O-N 2.91Å; K388-A488 HydrophobicContact CB-CB 4.3Å; K388-A488 HydrophobicContact CD-CB 4.39Å; K388-A489 PolarHBondContact NZ-O 2.89Å; K388-M521 HydrophobicContact CG-SD 3.86Å
389	S	87.8	Confident	87.1	Confident	48 Å²	48	34.3 Å²	34.3	34%	0.336	21%	0.205	S	C	.	.	H	α-helix	trans	-67	-30.9	-179.7	-50.2	0	0	0	0	112.8	A387 L391 K393 D446	A387-S389 PolarHBondContact O-N 3.18Å; S389-L391 VanDerWaalsContact C-N 3.35Å; S389-K393 WeakPolarHBondContact O-CG 3.42Å; S389-K393 PolarHBondContact O-N 2.88Å; S389-D446 VanDerWaalsContact CB-OD2 3.31Å; S389-D446 WeakPolarHBondContact CB-OD2 3.26Å; S389-D446 PolarHBondContact OG-OD2 2.9Å
390	Q	88.3	Confident	86.3	Confident	119 Å²	119	35.5 Å²	35.5	56%	0.556	21%	0.212	S	C	*	.	H	α-helix	trans	-65.9	-41.8	172.3	-74.4	-106.7	-3.1	0	0	110.7	I344 A387 K388 K393 F394	I344-Q390 HydrophobicContact CD1-CB 4.14Å; A387-Q390 HydrophobicContact CB-CB 4.37Å; A387-Q390 WeakPolarHBondContact O-CB 3.48Å; A387-Q390 PolarHBondContact O-N 3.31Å; A387-Q390 VanDerWaalsContact O-N 3.14Å; K388-Q390 VanDerWaalsContact C-N 3.31Å; K388-Q390 PolarHBondContact O-N 3.3Å; Q390-K393 PolarHBondContact O-N 3.34Å; Q390-F394 WeakPolarHBondContact O-CB 3.25Å; Q390-F394 PolarHBondContact O-N 3.39Å
391	L	90.8	Very high	85.8	Confident	7 Å²	7	36.2 Å²	36.2	4%	0.037	22%	0.216	C	C	.	.	H	α-helix	trans	-64.9	-41.3	177.7	-177.4	147.4	0	0	0	111.9	I344 V350 I354 L380 A387 K388 S389 K393 F394 V395 L486	I344-L391 HydrophobicContact CD1-CB 3.85Å; V350-L391 HydrophobicContact CG1-CD1 4.18Å; I354-L391 HydrophobicContact CD1-CD1 3.51Å; I354-L391 HydrophobicContact CD1-CD2 3.24Å; I354-L391 HydrophobicContact CD1-CG 3.68Å; I354-L391 HydrophobicContact CG1-CD2 4.3Å; L380-L391 HydrophobicContact CD1-CD2 3.74Å; A387-L391 PolarHBondContact O-N 2.92Å; K388-L391 WeakPolarHBondContact O-CB 3.27Å; K388-L391 PolarHBondContact O-N 3.09Å; K388-L391 VanDerWaalsContact O-N 3.15Å; S389-L391 VanDerWaalsContact C-N 3.35Å; L391-K393 PolarHBondContact O-N 3.42Å; L391-F394 PolarHBondContact O-N 3.18Å; L391-V395 HydrophobicContact CD2-CG2 4.34Å; L391-V395 WeakPolarHBondContact O-CG2 3.31Å; L391-V395 PolarHBondContact O-N 3.2Å; L391-L486 HydrophobicContact CD2-CD2 4.23Å
392	L	91.9	Very high	85.6	Confident	0 Å²	0	36.7 Å²	36.7	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-58.3	-48	173.2	-68.9	-176.9	0	0	0	112.2	K388 F394 V395 E396 Y404 C444 D446 L486 A488	K388-L392 PolarHBondContact O-N 2.91Å; L392-F394 VanDerWaalsContact C-N 3.3Å; L392-F394 PolarHBondContact O-N 3.15Å; L392-V395 PolarHBondContact O-N 3.4Å; L392-E396 PolarHBondContact O-N 2.83Å; L392-Y404 HydrophobicContact CB-CD2 4.2Å; L392-Y404 HydrophobicContact CB-CE2 4.06Å; L392-Y404 HydrophobicContact CD1-CE2 4.14Å; L392-C444 HydrophobicContact CB-CB 4.18Å; L392-C444 HydrophobicContact CD2-CB 4.11Å; L392-D446 HydrophobicContact CD1-CB 3.81Å; L392-L486 HydrophobicContact CD2-CB 4.32Å; L392-L486 HydrophobicContact CD2-CD2 3.51Å; L392-L486 HydrophobicContact CD2-CG 3.47Å; L392-L486 VanDerWaalsContact CD2-CG 3.47Å; L392-A488 HydrophobicContact CD1-CB 3.76Å; L392-A488 HydrophobicContact CG-CB 4.39Å
393	K	89.8	Confident	85.8	Confident	116 Å²	116	37.7 Å²	37.7	50%	0.504	23%	0.228	S	C	.	.	H	α-helix	trans	-63	-36.4	178.1	-70.7	175.1	-178.7	-176.7	0	112.4	S389 Q390 L391 S397 Y404	S389-K393 WeakPolarHBondContact O-CG 3.42Å; S389-K393 PolarHBondContact O-N 2.88Å; Q390-K393 PolarHBondContact O-N 3.34Å; L391-K393 PolarHBondContact O-N 3.42Å; K393-S397 PolarHBondContact O-N 2.7Å; K393-S397 VanDerWaalsContact O-N 3.08Å; K393-Y404 HydrophobicContact CG-CE2 4.48Å
394	F	89.7	Confident	86	Confident	32 Å²	32	40.4 Å²	40.4	14%	0.14	24%	0.237	C	C	.	.	H	α-helix	trans	-68.7	-39.1	175.8	-171.2	-87.5	0	0	0	111.9	I340 A341 Q390 L391 L392 S397 V398 L557	I340-F394 HydrophobicContact CB-CE1 4.3Å; I340-F394 HydrophobicContact CG2-CD1 4.12Å; I340-F394 HydrophobicContact CG2-CE1 4.07Å; A341-F394 HydrophobicContact CB-CB 4.43Å; A341-F394 HydrophobicContact CB-CD1 4.09Å; A341-F394 HydrophobicContact CB-CD2 4.42Å; A341-F394 HydrophobicContact CB-CG 4.05Å; Q390-F394 WeakPolarHBondContact O-CB 3.25Å; Q390-F394 PolarHBondContact O-N 3.39Å; L391-F394 PolarHBondContact O-N 3.18Å; L392-F394 VanDerWaalsContact C-N 3.3Å; L392-F394 PolarHBondContact O-N 3.15Å; F394-S397 PolarHBondContact O-N 3.04Å; F394-S397 PolarHBondContact O-OG 2.92Å; F394-V398 HydrophobicContact CD1-CG2 3.83Å; F394-V398 HydrophobicContact CE1-CG2 3.36Å; F394-V398 HydrophobicContact CZ-CG2 3.76Å; F394-V398 WeakPolarHBondContact O-CB 3.16Å; F394-V398 WeakPolarHBondContact O-CG2 3.42Å; F394-V398 PolarHBondContact O-N 3.45Å; F394-L557 HydrophobicContact CE1-CD2 4.46Å; F394-L557 HydrophobicContact CE2-CD2 3.93Å; F394-L557 HydrophobicContact CZ-CD2 3.58Å
395	V	90.9	Very high	86.2	Confident	1 Å²	1	37.2 Å²	37.2	1%	0.006	22%	0.216	C	C	.	.	H	α-helix	trans	-66.5	-41.3	176.8	172.7	0	0	0	0	111.4	I354 L358 L391 L392 S397 V398 S399 V442 L486	I354-V395 HydrophobicContact CG2-CG2 3.38Å; L358-V395 HydrophobicContact CD2-CG1 4.17Å; L391-V395 HydrophobicContact CD2-CG2 4.34Å; L391-V395 WeakPolarHBondContact O-CG2 3.31Å; L391-V395 PolarHBondContact O-N 3.2Å; L392-V395 PolarHBondContact O-N 3.4Å; V395-S397 VanDerWaalsContact C-N 3.31Å; V395-S397 PolarHBondContact O-N 2.81Å; V395-V398 PolarHBondContact O-N 3.35Å; V395-S399 VanDerWaalsContact O-CB 3.27Å; V395-S399 WeakPolarHBondContact O-CB 3.45Å; V395-S399 PolarHBondContact O-N 3.18Å; V395-S399 PolarHBondContact O-OG 2.7Å; V395-V442 HydrophobicContact CG1-CG1 4.01Å; V395-L486 HydrophobicContact CB-CD2 3.92Å; V395-L486 HydrophobicContact CG1-CD2 3.87Å; V395-L486 HydrophobicContact CG2-CD2 3.81Å
396	E	88.6	Confident	86.4	Confident	69 Å²	69	35.4 Å²	35.4	32%	0.322	19%	0.192	S	C	.	.	H	α-helix	trans	-54.1	-51.3	171.3	-179.9	-162.6	-162.5	0	0	110.3	L392 V398 S399 Y404	L392-E396 PolarHBondContact O-N 2.83Å; E396-V398 VanDerWaalsContact C-N 3.31Å; E396-V398 PolarHBondContact O-N 3.22Å; E396-S399 PolarHBondContact O-N 3.36Å; E396-S399 PolarHBondContact O-OG 2.77Å; E396-Y404 WeakPolarHBondContact OE2-CB 3.44Å
397	S	83.8	Confident	85.9	Confident	53 Å²	53	33.4 Å²	33.4	37%	0.371	18%	0.183	S	C	.	.	H	α-helix	trans	-68.9	-26.7	-175.4	78.1	0	0	0	0	113.6	K393 F394 V395 K561	K393-S397 PolarHBondContact O-N 2.7Å; K393-S397 VanDerWaalsContact O-N 3.08Å; F394-S397 PolarHBondContact O-N 3.04Å; F394-S397 PolarHBondContact O-OG 2.92Å; V395-S397 VanDerWaalsContact C-N 3.31Å; V395-S397 PolarHBondContact O-N 2.81Å; S397-K561 WeakPolarHBondContact O-CE 3.45Å; S397-K561 PolarHBondContact O-NZ 2.79Å
398	V	86	Confident	85.5	Confident	0 Å²	0	37.8 Å²	37.8	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-86.1	-31.3	177.2	166.6	0	0	0	0	112.8	L358 F394 V395 E396 L557 M560 K561 I564	L358-V398 HydrophobicContact CD1-CG1 3.72Å; L358-V398 HydrophobicContact CD2-CG1 4.44Å; F394-V398 HydrophobicContact CD1-CG2 3.83Å; F394-V398 HydrophobicContact CE1-CG2 3.36Å; F394-V398 HydrophobicContact CZ-CG2 3.76Å; F394-V398 WeakPolarHBondContact O-CB 3.16Å; F394-V398 WeakPolarHBondContact O-CG2 3.42Å; F394-V398 PolarHBondContact O-N 3.45Å; V395-V398 PolarHBondContact O-N 3.35Å; E396-V398 VanDerWaalsContact C-N 3.31Å; E396-V398 PolarHBondContact O-N 3.22Å; V398-L557 HydrophobicContact CG2-CD2 3.63Å; V398-M560 HydrophobicContact CG1-CE 3.33Å; V398-M560 HydrophobicContact CG1-CG 4.2Å; V398-M560 HydrophobicContact CG1-SD 3.67Å; V398-M560 HydrophobicContact CG2-SD 4.37Å; V398-K561 WeakPolarHBondContact O-CG 3.35Å; V398-I564 HydrophobicContact CG1-CD1 3.92Å
399	S	81.6	Confident	84.4	Confident	4 Å²	4	40.2 Å²	40.2	3%	0.028	22%	0.224	C	C	.	.	S	Bend	trans	-65.7	143.9	-178.6	68.4	0	0	0	0	111.3	V395 E396 I401 G402	V395-S399 VanDerWaalsContact O-CB 3.27Å; V395-S399 WeakPolarHBondContact O-CB 3.45Å; V395-S399 PolarHBondContact O-N 3.18Å; V395-S399 PolarHBondContact O-OG 2.7Å; E396-S399 PolarHBondContact O-N 3.36Å; E396-S399 PolarHBondContact O-OG 2.77Å; S399-I401 PolarHBondContact O-N 3.46Å; S399-I401 VanDerWaalsContact OG-C 3.31Å; S399-I401 PolarHBondContact OG-O 2.91Å; S399-G402 WeakPolarHBondContact OG-CA 2.9Å; S399-G402 PolarHBondContact OG-N 3.45Å
400	P	74.7	Confident	83	Confident	25 Å²	25	38.8 Å²	38.8	16%	0.162	21%	0.214	C	C	.	.	S	Bend	trans	-61.3	-32.8	173.4	-24.1	33.6	0	0	0	112.6	I564 A565	P400-I564 HydrophobicContact CG-CB 4.48Å; P400-I564 HydrophobicContact CG-CG2 4.07Å; P400-A565 HydrophobicContact CG-CB 4.43Å
401	I	81.5	Confident	81.4	Confident	15 Å²	15	37.1 Å²	37.1	8%	0.077	22%	0.215	C	C	.	.	S	Bend	trans	-137.5	109.6	175.2	-59.5	168.2	0	0	0	105.9	A309 S399 G441 V442	A309-I401 HydrophobicContact CB-CD1 4.42Å; S399-I401 PolarHBondContact O-N 3.46Å; S399-I401 VanDerWaalsContact OG-C 3.31Å; S399-I401 PolarHBondContact OG-O 2.91Å; I401-G441 CarbonylContact O-C 3.59Å; I401-G441 WeakPolarHBondContact O-CA 3.09Å; I401-V442 PolarHBondContact O-N 3.5Å
402	G	83.7	Confident	79.4	Confident	15 Å²	15	41.7 Å²	41.7	16%	0.155	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	135.7	-179.1	0	0	0	0	0	110.5	S399 V442	S399-G402 WeakPolarHBondContact OG-CA 2.9Å; S399-G402 PolarHBondContact OG-N 3.45Å; G402-V442 WeakPolarHBondContact CA-O 3.37Å
403	V	86.4	Confident	77.9	Confident	21 Å²	21	42.3 Å²	42.3	13%	0.127	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	118.3	170.8	-179.3	0	0	0	0	108.6	A434 A438 V442 C444	V403-A434 HydrophobicContact CG1-CB 3.9Å; V403-A438 HydrophobicContact CB-CB 4.27Å; V403-A438 HydrophobicContact CG2-CB 3.87Å; V403-V442 PolarHBondContact N-O 3.34Å; V403-V442 VanDerWaalsContact N-O 3.09Å; V403-C444 PolarHBondContact O-N 3.42Å
404	Y	89.1	Confident	77	Confident	74 Å²	74	37.2 Å²	37.2	29%	0.29	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	132.7	170.2	177.7	-98.9	0	0	0	110.8	L392 K393 E396 C444 D446	L392-Y404 HydrophobicContact CB-CD2 4.2Å; L392-Y404 HydrophobicContact CB-CE2 4.06Å; L392-Y404 HydrophobicContact CD1-CE2 4.14Å; K393-Y404 HydrophobicContact CG-CE2 4.48Å; E396-Y404 WeakPolarHBondContact OE2-CB 3.44Å; Y404-C444 HydrophobicContact CD2-CB 4.12Å; Y404-D446 HydrophobicContact CE2-CB 4Å; Y404-D446 WeakPolarHBondContact OH-CB 3.42Å; Y404-D446 PolarHBondContact OH-OD2 2.78Å; Y404-D446 VanDerWaalsContact OH-OD2 3.06Å
405	T	87.3	Confident	76.4	Confident	17 Å²	17	35.7 Å²	35.7	10%	0.104	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	151.7	177.9	-173.9	0	0	0	0	111.1	S410 L415 V443 C444 I445 D446	T405-S410 PolarHBondContact OG1-OG 2.98Å; T405-L415 HydrophobicContact CG2-CD2 3.35Å; T405-V443 HydrophobicContact CG2-CG1 4.2Å; T405-C444 PolarHBondContact N-O 3.22Å; T405-I445 HydrophobicContact CG2-CB 4.34Å; T405-I445 HydrophobicContact CG2-CG1 3.82Å; T405-I445 HydrophobicContact CG2-CG2 4.41Å; T405-I445 WeakPolarHBondContact O-CA 3.33Å; T405-D446 PolarHBondContact O-N 3.08Å
406	S	85.7	Confident	75.6	Confident	38 Å²	38	36.5 Å²	36.5	27%	0.266	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	137.7	172.9	171.8	0	0	0	0	109.6	K408 G409 S410	S406-K408 PolarHBondContact O-N 3.47Å; S406-G409 PolarHBondContact O-N 3.16Å; S406-S410 PolarHBondContact O-N 3.37Å; S406-S410 PolarHBondContact O-OG 3.49Å; S406-S410 VanDerWaalsContact O-OG 3.1Å
407	G	74.9	Confident	75.1	Confident	2 Å²	2	33.5 Å²	33.5	2%	0.021	22%	0.224	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.7	-29.1	-178.6	0	0	0	0	0	114.6	D446 M451	G407-D446 PolarHBondContact N-O 2.84Å; G407-M451 VanDerWaalsContact CA-CG 3.47Å
408	K	76	Confident	74.7	Confident	127 Å²	127	31.9 Å²	31.9	55%	0.552	21%	0.214	S	C	*	.	T	Hydrogen-bonded Turn	trans	-88.3	-33	175	-70.3	-173.1	167	-178.3	0	113.9	S406 K450	S406-K408 PolarHBondContact O-N 3.47Å; K408-K450 HydrophobicContact CD-CB 3.99Å; K408-K450 HydrophobicContact CD-CD 4.11Å; K408-K450 HydrophobicContact CD-CG 4.37Å; K408-K450 VanDerWaalsContact CE-CB 3.42Å; K408-K450 VanDerWaalsContact CE-CD 3.47Å; K408-K450 VanDerWaalsContact CE-CG 3.45Å; K408-K450 HydrophobicContact CG-CB 3.59Å; K408-K450 HydrophobicContact CG-CD 4.49Å; K408-K450 HydrophobicContact CG-CG 4.49Å
409	G	63.2	Low	74.4	Confident	62 Å²	62	33.4 Å²	33.4	64%	0.639	22%	0.223	S	C	*	.	T	Hydrogen-bonded Turn	trans	-90.1	5.5	-168.3	0	0	0	0	0	114.9	S406 S411	S406-G409 PolarHBondContact O-N 3.16Å; G409-S411 PolarHBondContact O-N 3.21Å
410	S	58.3	Low	74.4	Confident	18 Å²	18	36.1 Å²	36.1	13%	0.126	24%	0.237	C	C	.	.			trans	-71.4	117.4	179	-67.7	0	0	0	0	109.2	T405 S406	T405-S410 PolarHBondContact OG1-OG 2.98Å; S406-S410 PolarHBondContact O-N 3.37Å; S406-S410 PolarHBondContact O-OG 3.49Å; S406-S410 VanDerWaalsContact O-OG 3.1Å
411	S	54.8	Low	74.7	Confident	84 Å²	84	42 Å²	42	59%	0.587	26%	0.256	S	S	*	.			trans	-53.9	-179.5	-174.9	66.5	0	0	0	0	114.7	G409 A413 G414	G409-S411 PolarHBondContact O-N 3.21Å; S411-A413 PolarHBondContact O-N 3.47Å; S411-A413 VanDerWaalsContact O-N 3.08Å; S411-G414 WeakPolarHBondContact O-CA 3.31Å; S411-G414 PolarHBondContact O-N 2.94Å
412	A	50.5	Low	74.5	Confident	102 Å²	102	42.2 Å²	42.2	84%	0.843	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.5	-22.1	177.1	0	0	0	0	0	114.3
413	A	59.2	Low	74.4	Confident	13 Å²	13	47.4 Å²	47.4	11%	0.107	29%	0.288	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.7	-27.8	168.7	0	0	0	0	0	112.5	S411 T416 A418 E431	S411-A413 PolarHBondContact O-N 3.47Å; S411-A413 VanDerWaalsContact O-N 3.08Å; A413-T416 CarbonylContact O-C 3.58Å; A413-A418 HydrophobicContact CB-CB 4.37Å; A413-E431 HydrophobicContact CB-CB 4.49Å
414	G	71.5	Confident	74	Confident	9 Å²	9	51.3 Å²	51.3	9%	0.093	32%	0.316	C	S	.	.			trans	79.5	-160.9	171.1	0	0	0	0	0	114.4	S411 T416	S411-G414 WeakPolarHBondContact O-CA 3.31Å; S411-G414 PolarHBondContact O-N 2.94Å; G414-T416 VanDerWaalsContact C-N 3.26Å
415	L	76.8	Confident	73.1	Confident	0 Å²	0	50.4 Å²	50.4	0%	0	32%	0.321	C	S	.	.	S	Bend	trans	-74	-24.9	167.3	-70.4	166.9	0	0	0	111.2	T405 A434 M435 I445 M451 D455 I459	T405-L415 HydrophobicContact CG2-CD2 3.35Å; L415-A434 HydrophobicContact CD2-CB 4.45Å; L415-A434 PolarHBondContact O-N 3.45Å; L415-M435 WeakPolarHBondContact O-CB 3.37Å; L415-M435 VanDerWaalsContact O-CG 3.29Å; L415-M435 WeakPolarHBondContact O-CG 3.42Å; L415-M435 PolarHBondContact O-N 3.42Å; L415-I445 HydrophobicContact CD2-CD1 4.4Å; L415-M451 HydrophobicContact CD1-SD 3.61Å; L415-D455 HydrophobicContact CD1-CB 4.29Å; L415-I459 HydrophobicContact CD1-CD1 3.48Å; L415-I459 VanDerWaalsContact CD1-CD1 3.48Å; L415-I459 HydrophobicContact CD1-CG1 4.36Å
416	T	74.9	Confident	72.5	Confident	18 Å²	18	58.7 Å²	58.7	11%	0.11	35%	0.35	C	S	.	.	S	Bend	trans	-106	-167.7	-176.9	62.1	0	0	0	0	111.5	A413 G414 G433 A458 I468	A413-T416 CarbonylContact O-C 3.58Å; G414-T416 VanDerWaalsContact C-N 3.26Å; T416-G433 WeakPolarHBondContact O-CA 3.27Å; T416-G433 PolarHBondContact O-N 3.35Å; T416-A458 HydrophobicContact CG2-CB 3.33Å; T416-I468 HydrophobicContact CG2-CD1 4.09Å
417	A	77.3	Confident	72	Confident	6 Å²	6	59.5 Å²	59.5	5%	0.05	36%	0.356	C	S	.	.			trans	-96	143.4	176.7	0	0	0	0	0	110.8	E431 V436 I470 L479	A417-E431 CarbonylContact C-O 3.56Å; A417-E431 WeakPolarHBondContact CA-O 3.18Å; A417-E431 VanDerWaalsContact CB-O 3.31Å; A417-E431 WeakPolarHBondContact CB-O 3.41Å; A417-V436 HydrophobicContact CB-CG2 4.32Å; A417-I470 HydrophobicContact CB-CD1 3.36Å; A417-I470 WeakPolarHBondContact O-CD1 3.14Å; A417-L479 HydrophobicContact CB-CD1 3.37Å
418	A	75.8	Confident	72.1	Confident	19 Å²	19	64 Å²	64	16%	0.157	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	148.3	178.1	0	0	0	0	0	111.2	A413 M430 E431	A413-A418 HydrophobicContact CB-CB 4.37Å; A418-M430 WeakPolarHBondContact O-CA 3.23Å; A418-E431 PolarHBondContact N-O 3.29Å; A418-E431 PolarHBondContact O-N 3.2Å
419	V	78.8	Confident	72.2	Confident	32 Å²	32	59 Å²	59	19%	0.194	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	112	173.1	-175.2	0	0	0	0	107.9	F428 I429 M430 I470 K472 A473 I475	V419-F428 HydrophobicContact CG1-CB 3.74Å; V419-F428 HydrophobicContact CG1-CD1 4.03Å; V419-F428 HydrophobicContact CG1-CG 4.22Å; V419-I429 CarbonylContact C-O 3.52Å; V419-I429 WeakPolarHBondContact CA-O 3.3Å; V419-M430 HydrophobicContact CG2-CG 4.26Å; V419-I470 HydrophobicContact CG2-CG2 3.7Å; V419-K472 HydrophobicContact CG2-CB 4.11Å; V419-A473 HydrophobicContact CG1-CB 4.28Å; V419-I475 HydrophobicContact CG1-CD1 4Å
420	I	81.8	Confident	72.8	Confident	61 Å²	61	57.1 Å²	57.1	31%	0.313	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	144.8	179.5	-60.9	176.6	0	0	0	108.5	F428 I429 E431	I420-F428 CarbonylContact O-C 3.49Å; I420-F428 WeakPolarHBondContact O-CA 3.48Å; I420-I429 HydrophobicContact CB-CG1 4.23Å; I420-I429 PolarHBondContact N-O 3.19Å; I420-I429 WeakPolarHBondContact O-CG1 3.2Å; I420-I429 PolarHBondContact O-N 3.38Å; I420-I429 VanDerWaalsContact O-O 3.1Å; I420-E431 HydrophobicContact CD1-CG 4.22Å; I420-E431 VanDerWaalsContact CD1-OE2 3.24Å; I420-E431 WeakPolarHBondContact CD1-OE2 3.42Å
421	R	81.5	Confident	73.5	Confident	148 Å²	148	59.5 Å²	59.5	56%	0.558	34%	0.338	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-89.9	115.3	174	-168.4	178	-174	-174.8	1.9	109.3	R426 F428	R421-R426 PolarHBondContact NE-O 3.05Å; R421-F428 HydrophobicContact CB-CD1 4.11Å; R421-F428 HydrophobicContact CB-CE1 4.11Å; R421-F428 HydrophobicContact CG-CD1 4.35Å; R421-F428 HydrophobicContact CG-CE1 4.22Å
422	D	78.1	Confident	74.4	Confident	21 Å²	21	56.9 Å²	56.9	11%	0.112	33%	0.325	C	S	.	.			trans	-69.1	123.9	175.6	-172.5	-28.7	0	0	0	108.7	K227 S424 R426 S427 I429	K227-D422 IonicContact NZ-OD2 2.67Å; K227-D422 PolarHBondContact NZ-OD2 2.91Å; K227-D422 VanDerWaalsContact NZ-OD2 3.08Å; D422-S424 VanDerWaalsContact CG-OG 3.28Å; D422-S424 PolarHBondContact O-N 3.4Å; D422-S424 WeakPolarHBondContact OD1-CB 3.36Å; D422-S424 PolarHBondContact OD1-N 3.18Å; D422-S424 PolarHBondContact OD1-OG 3.3Å; D422-S424 PolarHBondContact OD2-OG 3.41Å; D422-R426 VanDerWaalsContact O-CA 3.23Å; D422-R426 WeakPolarHBondContact O-CA 3.41Å; D422-R426 PolarHBondContact O-N 3.24Å; D422-S427 PolarHBondContact N-O 3.43Å; D422-I429 HydrophobicContact CB-CD1 4.17Å; D422-I429 HydrophobicContact CB-CG1 4.32Å; D422-I429 HydrophobicContact CB-CG2 4.19Å
423	P	81	Confident	75.8	Confident	124 Å²	124	52.3 Å²	52.3	81%	0.805	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.6	-24	-179	25.6	-34.7	0	0	0	113
424	S	77.2	Confident	76.9	Confident	102 Å²	102	52.3 Å²	52.3	71%	0.713	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.2	-46.7	-174.9	66.3	0	0	0	0	113.1	D422	D422-S424 VanDerWaalsContact CG-OG 3.28Å; D422-S424 PolarHBondContact O-N 3.4Å; D422-S424 WeakPolarHBondContact OD1-CB 3.36Å; D422-S424 PolarHBondContact OD1-N 3.18Å; D422-S424 PolarHBondContact OD1-OG 3.3Å; D422-S424 PolarHBondContact OD2-OG 3.41Å
425	S	71.6	Confident	77.5	Confident	55 Å²	55	52 Å²	52	39%	0.385	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.5	-14.1	180	58.5	0	0	0	0	113.1	S427	S425-S427 WeakPolarHBondContact CB-OG 3.39Å; S425-S427 PolarHBondContact O-N 2.78Å; S425-S427 PolarHBondContact OG-N 2.65Å; S425-S427 PolarHBondContact OG-OG 3.03Å
426	R	74.5	Confident	77.8	Confident	191 Å²	191	52.4 Å²	52.4	72%	0.721	29%	0.286	S	S	*	.			trans	55.8	10.2	-166	-60.5	-179	179.1	176	-0.6	113.9	R421 D422	R421-R426 PolarHBondContact NE-O 3.05Å; D422-R426 VanDerWaalsContact O-CA 3.23Å; D422-R426 WeakPolarHBondContact O-CA 3.41Å; D422-R426 PolarHBondContact O-N 3.24Å
427	S	75.3	Confident	78	Confident	55 Å²	55	53.4 Å²	53.4	39%	0.385	29%	0.29	S	S	.	.			trans	-85.1	149.3	176.4	66.7	0	0	0	0	110.1	D422 S425	D422-S427 PolarHBondContact N-O 3.43Å; S425-S427 WeakPolarHBondContact CB-OG 3.39Å; S425-S427 PolarHBondContact O-N 2.78Å; S425-S427 PolarHBondContact OG-N 2.65Å; S425-S427 PolarHBondContact OG-OG 3.03Å
428	F	77.1	Confident	78.2	Confident	96 Å²	96	53.1 Å²	53.1	42%	0.421	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	125.8	170.3	-63.7	-73.5	0	0	0	108.8	V419 I420 R421 A473 I475	V419-F428 HydrophobicContact CG1-CB 3.74Å; V419-F428 HydrophobicContact CG1-CD1 4.03Å; V419-F428 HydrophobicContact CG1-CG 4.22Å; I420-F428 CarbonylContact O-C 3.49Å; I420-F428 WeakPolarHBondContact O-CA 3.48Å; R421-F428 HydrophobicContact CB-CD1 4.11Å; R421-F428 HydrophobicContact CB-CE1 4.11Å; R421-F428 HydrophobicContact CG-CD1 4.35Å; R421-F428 HydrophobicContact CG-CE1 4.22Å; F428-A473 HydrophobicContact CD1-CB 3.74Å; F428-A473 HydrophobicContact CD2-CB 4.06Å; F428-A473 HydrophobicContact CE1-CB 3.7Å; F428-A473 HydrophobicContact CE2-CB 4.02Å; F428-A473 HydrophobicContact CG-CB 3.93Å; F428-A473 HydrophobicContact CZ-CB 3.84Å; F428-I475 HydrophobicContact CB-CD1 3.61Å
429	I	76.5	Confident	78.4	Confident	22 Å²	22	53.1 Å²	53.1	11%	0.113	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	144.7	172.3	55	167.9	0	0	0	108.1	V419 I420 D422	V419-I429 CarbonylContact C-O 3.52Å; V419-I429 WeakPolarHBondContact CA-O 3.3Å; I420-I429 HydrophobicContact CB-CG1 4.23Å; I420-I429 PolarHBondContact N-O 3.19Å; I420-I429 WeakPolarHBondContact O-CG1 3.2Å; I420-I429 PolarHBondContact O-N 3.38Å; I420-I429 VanDerWaalsContact O-O 3.1Å; D422-I429 HydrophobicContact CB-CD1 4.17Å; D422-I429 HydrophobicContact CB-CG1 4.32Å; D422-I429 HydrophobicContact CB-CG2 4.19Å
430	M	75.6	Confident	78.4	Confident	24 Å²	24	52.6 Å²	52.6	12%	0.118	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	129.1	171.6	-63.6	-155	-65.8	0	0	109	V154 P258 A418 V419 I475 T477 L479	V154-M430 VanDerWaalsContact O-O 3.05Å; P258-M430 HydrophobicContact CG-CE 4.35Å; A418-M430 WeakPolarHBondContact O-CA 3.23Å; V419-M430 HydrophobicContact CG2-CG 4.26Å; M430-I475 HydrophobicContact CE-CG2 4.36Å; M430-I475 HydrophobicContact CG-CD1 4.2Å; M430-I475 HydrophobicContact CG-CG2 4.29Å; M430-I475 HydrophobicContact SD-CG2 3.67Å; M430-T477 HydrophobicContact CE-CG2 3.79Å; M430-T477 WeakPolarHBondContact CE-OG1 3.49Å; M430-T477 HydrophobicContact SD-CG2 4.37Å; M430-T477 PolarHBondContact SD-OG1 2.91Å; M430-L479 HydrophobicContact CE-CD2 4.48Å
431	E	74.6	Confident	78.5	Confident	68 Å²	68	49.8 Å²	49.8	32%	0.318	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	123.4	170.5	-68.3	-170.1	175.1	0	0	108.6	V154 A413 A417 A418 I420	V154-E431 HydrophobicContact CG1-CG 4.21Å; A413-E431 HydrophobicContact CB-CB 4.49Å; A417-E431 CarbonylContact C-O 3.56Å; A417-E431 WeakPolarHBondContact CA-O 3.18Å; A417-E431 VanDerWaalsContact CB-O 3.31Å; A417-E431 WeakPolarHBondContact CB-O 3.41Å; A418-E431 PolarHBondContact N-O 3.29Å; A418-E431 PolarHBondContact O-N 3.2Å; I420-E431 HydrophobicContact CD1-CG 4.22Å; I420-E431 VanDerWaalsContact CD1-OE2 3.24Å; I420-E431 WeakPolarHBondContact CD1-OE2 3.42Å
432	G	73.6	Confident	79	Confident	29 Å²	29	42.7 Å²	42.7	30%	0.299	25%	0.246	S	C	.	.			trans	-78.2	126.7	175.4	0	0	0	0	0	111.3
433	G	79.9	Confident	79.6	Confident	6 Å²	6	41.7 Å²	41.7	6%	0.062	24%	0.24	C	C	.	.			trans	-83.4	-167.3	171.5	0	0	0	0	0	113.3	T416 M435 V436 L437	T416-G433 WeakPolarHBondContact O-CA 3.27Å; T416-G433 PolarHBondContact O-N 3.35Å; G433-M435 VanDerWaalsContact C-N 3.31Å; G433-M435 PolarHBondContact O-N 2.82Å; G433-V436 PolarHBondContact O-N 3.3Å; G433-V436 VanDerWaalsContact O-N 3.08Å; G433-L437 WeakPolarHBondContact O-CG 3.48Å; G433-L437 PolarHBondContact O-N 3.13Å
434	A	82.5	Confident	80.2	Confident	13 Å²	13	35.8 Å²	35.8	11%	0.107	20%	0.202	C	C	.	.	H	α-helix	trans	-54.8	-40.7	-167.5	0	0	0	0	0	114.1	V403 L415 V436 L437 A438	V403-A434 HydrophobicContact CG1-CB 3.9Å; L415-A434 HydrophobicContact CD2-CB 4.45Å; L415-A434 PolarHBondContact O-N 3.45Å; A434-V436 VanDerWaalsContact C-N 3.35Å; A434-V436 PolarHBondContact O-N 3.31Å; A434-L437 PolarHBondContact O-N 2.96Å; A434-A438 WeakPolarHBondContact O-CB 3.32Å; A434-A438 PolarHBondContact O-N 3.44Å
435	M	83.5	Confident	80.8	Confident	1 Å²	1	31 Å²	31	1%	0.005	17%	0.168	C	C	.	.	H	α-helix	trans	-68.8	-31.7	-178.1	-66.2	-173.4	76	0	0	113.4	L415 G433 V443 I459 A462 I468 C483 V485	L415-M435 WeakPolarHBondContact O-CB 3.37Å; L415-M435 VanDerWaalsContact O-CG 3.29Å; L415-M435 WeakPolarHBondContact O-CG 3.42Å; L415-M435 PolarHBondContact O-N 3.42Å; G433-M435 VanDerWaalsContact C-N 3.31Å; G433-M435 PolarHBondContact O-N 2.82Å; M435-V443 HydrophobicContact CG-CG2 4.41Å; M435-I459 HydrophobicContact SD-CG1 3.96Å; M435-A462 HydrophobicContact CE-CB 3.41Å; M435-A462 VanDerWaalsContact CE-CB 3.41Å; M435-A462 HydrophobicContact SD-CB 4.01Å; M435-I468 HydrophobicContact CB-CD1 4.26Å; M435-C483 WeakPolarHBondContact CE-SG 3.29Å; M435-V485 HydrophobicContact CE-CG2 4.37Å
436	V	83	Confident	81.7	Confident	9 Å²	9	29 Å²	29	6%	0.055	15%	0.154	C	C	.	.	H	α-helix	trans	-74.6	-38	177.8	-178.3	0	0	0	0	110	A417 G433 A434 A438 D439 I468 L479	A417-V436 HydrophobicContact CB-CG2 4.32Å; G433-V436 PolarHBondContact O-N 3.3Å; G433-V436 VanDerWaalsContact O-N 3.08Å; A434-V436 VanDerWaalsContact C-N 3.35Å; A434-V436 PolarHBondContact O-N 3.31Å; V436-A438 VanDerWaalsContact C-N 3.26Å; V436-A438 PolarHBondContact O-N 3.37Å; V436-D439 PolarHBondContact O-N 3.16Å; V436-I468 HydrophobicContact CG2-CD1 4.25Å; V436-L479 HydrophobicContact CG2-CB 4.31Å; V436-L479 HydrophobicContact CG2-CD1 4.11Å
437	L	79.2	Confident	82.4	Confident	40 Å²	40	22.2 Å²	22.2	21%	0.209	13%	0.13	C	C	.	.	H	α-helix	trans	-66.3	-30.6	175.8	-61.2	173.8	0	0	0	112.4	I152 G433 A434 D439	I152-L437 HydrophobicContact CD1-CD2 3.59Å; I152-L437 HydrophobicContact CG2-CD2 4.23Å; G433-L437 WeakPolarHBondContact O-CG 3.48Å; G433-L437 PolarHBondContact O-N 3.13Å; A434-L437 PolarHBondContact O-N 2.96Å; L437-D439 VanDerWaalsContact C-N 3.33Å; L437-D439 PolarHBondContact O-N 3.26Å
438	A	81	Confident	82.9	Confident	0 Å²	0	19.7 Å²	19.7	0%	0	11%	0.112	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90.5	20.1	-180	0	0	0	0	0	114.3	V403 A434 V436 G440 G441 V443 C483	V403-A438 HydrophobicContact CB-CB 4.27Å; V403-A438 HydrophobicContact CG2-CB 3.87Å; A434-A438 WeakPolarHBondContact O-CB 3.32Å; A434-A438 PolarHBondContact O-N 3.44Å; V436-A438 VanDerWaalsContact C-N 3.26Å; V436-A438 PolarHBondContact O-N 3.37Å; A438-G440 PolarHBondContact O-N 3.07Å; A438-G441 WeakPolarHBondContact O-CA 3.44Å; A438-G441 PolarHBondContact O-N 2.95Å; A438-V443 HydrophobicContact CB-CG2 3.29Å; A438-C483 HydrophobicContact CB-CB 4.4Å; A438-C483 WeakPolarHBondContact O-CB 3.41Å
439	D	80.4	Confident	83.2	Confident	18 Å²	18	17 Å²	17	10%	0.096	10%	0.102	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58	127.4	176.6	-173.6	44.4	0	0	0	111.5	V436 L437 G441 R482	V436-D439 PolarHBondContact O-N 3.16Å; L437-D439 VanDerWaalsContact C-N 3.33Å; L437-D439 PolarHBondContact O-N 3.26Å; D439-G441 PolarHBondContact O-N 2.85Å; D439-R482 WeakPolarHBondContact OD1-CA 3.33Å; D439-R482 WeakPolarHBondContact OD1-CB 3.47Å; D439-R482 WeakPolarHBondContact OD1-CG 3.34Å; D439-R482 IonicContact OD1-CZ 3.81Å; D439-R482 PolarHBondContact OD1-N 2.9Å; D439-R482 IonicContact OD1-NE 2.65Å; D439-R482 PolarHBondContact OD1-NE 2.92Å; D439-R482 IonicContact OD1-NH2 3.89Å; D439-R482 IonicContact OD2-CZ 2.92Å; D439-R482 IonicContact OD2-NE 3.87Å; D439-R482 PolarHBondContact OD2-NE 3.35Å; D439-R482 IonicContact OD2-NH2 2.88Å; D439-R482 PolarHBondContact OD2-NH2 2.99Å
440	G	77.7	Confident	83.5	Confident	21 Å²	21	19.9 Å²	19.9	22%	0.216	11%	0.114	C	C	.	.	T	Hydrogen-bonded Turn	trans	76.8	-0.4	-172.9	0	0	0	0	0	115.2	A438 R482 R568	A438-G440 PolarHBondContact O-N 3.07Å; G440-R482 VanDerWaalsContact CA-O 3.26Å; G440-R482 WeakPolarHBondContact CA-O 3.32Å; G440-R482 PolarHBondContact N-O 3.45Å; G440-R568 PolarHBondContact O-NH1 2.77Å
441	G	85.8	Confident	83.8	Confident	2 Å²	2	19.3 Å²	19.3	2%	0.021	11%	0.111	C	C	.	.	S	Bend	trans	-111.3	-155.1	-174.4	0	0	0	0	0	114.5	I401 A438 D439 A484	I401-G441 CarbonylContact O-C 3.59Å; I401-G441 WeakPolarHBondContact O-CA 3.09Å; A438-G441 WeakPolarHBondContact O-CA 3.44Å; A438-G441 PolarHBondContact O-N 2.95Å; D439-G441 PolarHBondContact O-N 2.85Å; G441-A484 PolarHBondContact O-N 3.04Å
442	V	90.5	Very high	84.1	Confident	0 Å²	0	24.5 Å²	24.5	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	132	175.1	-178.2	0	0	0	0	109.6	L357 L358 V395 I401 G402 V403 A484 L486	L357-V442 HydrophobicContact CD2-CB 4.25Å; L357-V442 HydrophobicContact CD2-CG1 3.64Å; L357-V442 HydrophobicContact CD2-CG2 3.52Å; L358-V442 HydrophobicContact CD2-CG2 4.36Å; V395-V442 HydrophobicContact CG1-CG1 4.01Å; I401-V442 PolarHBondContact O-N 3.5Å; G402-V442 WeakPolarHBondContact CA-O 3.37Å; V403-V442 PolarHBondContact N-O 3.34Å; V403-V442 VanDerWaalsContact N-O 3.09Å; V442-A484 CarbonylContact C-O 3.58Å; V442-A484 WeakPolarHBondContact CA-O 3.29Å; V442-A484 HydrophobicContact CG2-CB 4.3Å; V442-L486 HydrophobicContact CG1-CB 4.28Å
443	V	91.2	Very high	84.6	Confident	0 Å²	0	30.2 Å²	30.2	0%	0	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	122	169.2	-179.8	0	0	0	0	108.1	T405 M435 A438 I445 C483 A484 L486	T405-V443 HydrophobicContact CG2-CG1 4.2Å; M435-V443 HydrophobicContact CG-CG2 4.41Å; A438-V443 HydrophobicContact CB-CG2 3.29Å; V443-I445 HydrophobicContact CG1-CD1 4.25Å; V443-I445 HydrophobicContact CG1-CG1 3.78Å; V443-C483 HydrophobicContact CG2-CB 3.84Å; V443-A484 PolarHBondContact N-O 2.7Å; V443-L486 PolarHBondContact O-N 3.33Å
444	C	92.7	Very high	84.5	Confident	0 Å²	0	36.4 Å²	36.4	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	114.5	175.2	-64.6	0	0	0	0	108.9	L392 V403 Y404 T405 L486	L392-C444 HydrophobicContact CB-CB 4.18Å; L392-C444 HydrophobicContact CD2-CB 4.11Å; V403-C444 PolarHBondContact O-N 3.42Å; Y404-C444 HydrophobicContact CD2-CB 4.12Å; T405-C444 PolarHBondContact N-O 3.22Å; C444-L486 CarbonylContact C-O 3.53Å; C444-L486 WeakPolarHBondContact CA-O 3.31Å
445	I	91.1	Very high	84.5	Confident	1 Å²	1	36.8 Å²	36.8	1%	0.005	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	117.8	179.8	-50.4	180	0	0	0	108.9	T405 L415 V443 F448 M451 I459 V485 L486 A487 A488	T405-I445 HydrophobicContact CG2-CB 4.34Å; T405-I445 HydrophobicContact CG2-CG1 3.82Å; T405-I445 HydrophobicContact CG2-CG2 4.41Å; T405-I445 WeakPolarHBondContact O-CA 3.33Å; L415-I445 HydrophobicContact CD2-CD1 4.4Å; V443-I445 HydrophobicContact CG1-CD1 4.25Å; V443-I445 HydrophobicContact CG1-CG1 3.78Å; I445-F448 HydrophobicContact CB-CD2 4.41Å; I445-F448 HydrophobicContact CD1-CD2 4.28Å; I445-F448 HydrophobicContact CD1-CE2 4.4Å; I445-F448 HydrophobicContact CG2-CB 4.46Å; I445-F448 HydrophobicContact CG2-CD2 4.04Å; I445-M451 HydrophobicContact CG2-SD 4.13Å; I445-I459 HydrophobicContact CD1-CD1 4.31Å; I445-V485 HydrophobicContact CD1-CG1 4Å; I445-V485 HydrophobicContact CG1-CG1 4.45Å; I445-L486 PolarHBondContact N-O 2.67Å; I445-A487 CarbonylContact O-C 3.59Å; I445-A487 WeakPolarHBondContact O-CA 3.46Å; I445-A488 PolarHBondContact O-N 3.15Å
446	D	90.6	Very high	84.3	Confident	14 Å²	14	38.4 Å²	38.4	8%	0.075	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	153.9	168.9	-152.6	-11.9	0	0	0	110.5	S389 L392 Y404 T405 G407 F448	S389-D446 VanDerWaalsContact CB-OD2 3.31Å; S389-D446 WeakPolarHBondContact CB-OD2 3.26Å; S389-D446 PolarHBondContact OG-OD2 2.9Å; L392-D446 HydrophobicContact CD1-CB 3.81Å; Y404-D446 HydrophobicContact CE2-CB 4Å; Y404-D446 WeakPolarHBondContact OH-CB 3.42Å; Y404-D446 PolarHBondContact OH-OD2 2.78Å; Y404-D446 VanDerWaalsContact OH-OD2 3.06Å; T405-D446 PolarHBondContact O-N 3.08Å; G407-D446 PolarHBondContact N-O 2.84Å; D446-F448 PolarHBondContact O-N 2.86Å
447	E	87.7	Confident	84.3	Confident	47 Å²	47	42.5 Å²	42.5	22%	0.22	21%	0.209	C	C	.	.			trans	53.1	48.8	-179	-58.8	-160.3	139.5	0	0	113.7	D449 K450 A488	E447-D449 VanDerWaalsContact C-OD1 3.29Å; E447-D449 WeakPolarHBondContact CA-OD1 3.38Å; E447-D449 PolarHBondContact O-N 3.16Å; E447-K450 HydrophobicContact CB-CB 4.27Å; E447-K450 HydrophobicContact CB-CD 3.91Å; E447-K450 HydrophobicContact CG-CD 4.14Å; E447-K450 PolarHBondContact O-N 2.93Å; E447-K450 IonicContact OE1-NZ 2.91Å; E447-K450 PolarHBondContact OE1-NZ 2.84Å; E447-K450 WeakPolarHBondContact OE2-CD 3.15Å; E447-K450 IonicContact OE2-NZ 2.72Å; E447-A488 PolarHBondContact N-O 3.33Å
448	F	86.3	Confident	84.5	Confident	3 Å²	3	41.6 Å²	41.6	1%	0.013	21%	0.207	C	C	.	.	G	3₁₀ helix	trans	-62.7	-24.4	-177.9	-173.2	-94.3	0	0	0	113.3	I445 D446 K450 M451 I459 A487 A488 A489 F507 I511 F515	I445-F448 HydrophobicContact CB-CD2 4.41Å; I445-F448 HydrophobicContact CD1-CD2 4.28Å; I445-F448 HydrophobicContact CD1-CE2 4.4Å; I445-F448 HydrophobicContact CG2-CB 4.46Å; I445-F448 HydrophobicContact CG2-CD2 4.04Å; D446-F448 PolarHBondContact O-N 2.86Å; F448-K450 VanDerWaalsContact C-N 3.3Å; F448-K450 PolarHBondContact O-N 3.14Å; F448-M451 HydrophobicContact CD1-CE 4.14Å; F448-M451 HydrophobicContact CD2-CE 3.3Å; F448-M451 HydrophobicContact CD2-SD 3.64Å; F448-M451 HydrophobicContact CE1-CE 3.96Å; F448-M451 HydrophobicContact CE2-CE 3.12Å; F448-M451 HydrophobicContact CE2-SD 3.89Å; F448-M451 HydrophobicContact CG-CE 3.82Å; F448-M451 HydrophobicContact CG-SD 4.34Å; F448-M451 HydrophobicContact CZ-CE 3.47Å; F448-M451 VanDerWaalsContact CZ-CE 3.47Å; F448-I459 HydrophobicContact CE2-CD1 4.29Å; F448-A487 HydrophobicContact CB-CB 4.21Å; F448-A487 HydrophobicContact CD2-CB 3.93Å; F448-A487 HydrophobicContact CG-CB 4.05Å; F448-A488 WeakPolarHBondContact CB-O 3.48Å; F448-A488 PolarHBondContact N-O 2.79Å; F448-A489 HydrophobicContact CB-CB 4.3Å; F448-F507 HydrophobicContact CD1-CD1 4.22Å; F448-F507 AromaticContact CD1-CE1 3.42Å; F448-F507 HydrophobicContact CD1-CE1 3.42Å; F448-F507 VanDerWaalsContact CD1-CE1 3.42Å; F448-F507 AromaticContact CD1-CZ 3.64Å; F448-F507 HydrophobicContact CD1-CZ 3.64Å; F448-F507 HydrophobicContact CE1-CD1 4.12Å; F448-F507 AromaticContact CE1-CE1 3.76Å; F448-F507 HydrophobicContact CE1-CE1 3.76Å; F448-F507 HydrophobicContact CE1-CZ 4.33Å; F448-I511 HydrophobicContact CE1-CG2 3.92Å; F448-I511 HydrophobicContact CZ-CG2 4.13Å; F448-F515 HydrophobicContact CE1-CE2 4.32Å; F448-F515 HydrophobicContact CE1-CZ 4.48Å; F448-F515 HydrophobicContact CE2-CZ 4.42Å; F448-F515 HydrophobicContact CZ-CE2 4.25Å; F448-F515 HydrophobicContact CZ-CZ 4.16Å
449	D	84.7	Confident	84.7	Confident	39 Å²	39	41.7 Å²	41.7	21%	0.209	21%	0.208	C	C	.	.	G	3₁₀ helix	trans	-63.9	-33.7	172.8	59.7	-45.6	0	0	0	112.7	E447 M451 F507	E447-D449 VanDerWaalsContact C-OD1 3.29Å; E447-D449 WeakPolarHBondContact CA-OD1 3.38Å; E447-D449 PolarHBondContact O-N 3.16Å; D449-M451 PolarHBondContact O-N 3.29Å; D449-F507 HydrophobicContact CB-CZ 4.13Å
450	K	82.2	Confident	84.9	Confident	82 Å²	82	42.1 Å²	42.1	36%	0.357	21%	0.209	S	C	.	.	G	3₁₀ helix	trans	-92.1	9.8	-171.8	-73.9	161	166.7	-174.8	0	114.8	K408 E447 F448	K408-K450 HydrophobicContact CD-CB 3.99Å; K408-K450 HydrophobicContact CD-CD 4.11Å; K408-K450 HydrophobicContact CD-CG 4.37Å; K408-K450 VanDerWaalsContact CE-CB 3.42Å; K408-K450 VanDerWaalsContact CE-CD 3.47Å; K408-K450 VanDerWaalsContact CE-CG 3.45Å; K408-K450 HydrophobicContact CG-CB 3.59Å; K408-K450 HydrophobicContact CG-CD 4.49Å; K408-K450 HydrophobicContact CG-CG 4.49Å; E447-K450 HydrophobicContact CB-CB 4.27Å; E447-K450 HydrophobicContact CB-CD 3.91Å; E447-K450 HydrophobicContact CG-CD 4.14Å; E447-K450 PolarHBondContact O-N 2.93Å; E447-K450 IonicContact OE1-NZ 2.91Å; E447-K450 PolarHBondContact OE1-NZ 2.84Å; E447-K450 WeakPolarHBondContact OE2-CD 3.15Å; E447-K450 IonicContact OE2-NZ 2.72Å; F448-K450 VanDerWaalsContact C-N 3.3Å; F448-K450 PolarHBondContact O-N 3.14Å
451	M	81.3	Confident	85.3	Confident	13 Å²	13	43.6 Å²	43.6	6%	0.064	21%	0.21	C	C	.	.			trans	-70.9	152.8	178.2	-66.5	-170.1	-45.9	0	0	112.6	G407 L415 I445 F448 D449 I459	G407-M451 VanDerWaalsContact CA-CG 3.47Å; L415-M451 HydrophobicContact CD1-SD 3.61Å; I445-M451 HydrophobicContact CG2-SD 4.13Å; F448-M451 HydrophobicContact CD1-CE 4.14Å; F448-M451 HydrophobicContact CD2-CE 3.3Å; F448-M451 HydrophobicContact CD2-SD 3.64Å; F448-M451 HydrophobicContact CE1-CE 3.96Å; F448-M451 HydrophobicContact CE2-CE 3.12Å; F448-M451 HydrophobicContact CE2-SD 3.89Å; F448-M451 HydrophobicContact CG-CE 3.82Å; F448-M451 HydrophobicContact CG-SD 4.34Å; F448-M451 HydrophobicContact CZ-CE 3.47Å; F448-M451 VanDerWaalsContact CZ-CE 3.47Å; D449-M451 PolarHBondContact O-N 3.29Å; M451-I459 HydrophobicContact CE-CD1 3.7Å; M451-I459 HydrophobicContact SD-CD1 3.66Å
452	R	82.2	Confident	85.3	Confident	176 Å²	176	43.6 Å²	43.6	66%	0.664	21%	0.21	S	C	*	.			trans	-67.3	151.7	170.8	-60.8	-178.6	-177.8	-154.9	0.9	110.8	D454 D455 R456	R452-D454 VanDerWaalsContact C-N 3.34Å; R452-D454 PolarHBondContact O-N 3.39Å; R452-D455 PolarHBondContact O-N 2.83Å; R452-R456 PolarHBondContact O-N 2.91Å; R452-R456 VanDerWaalsContact O-N 3.11Å
453	E	82.3	Confident	85.2	Confident	150 Å²	150	43.9 Å²	43.9	70%	0.701	21%	0.212	S	C	*	.	H	α-helix	trans	-65.9	-35.5	-179.5	-166.2	167.3	-169	0	0	112.5	D455 R456 V457	E453-D455 PolarHBondContact O-N 2.99Å; E453-R456 VanDerWaalsContact O-CB 3.3Å; E453-R456 WeakPolarHBondContact O-CB 3.46Å; E453-R456 PolarHBondContact O-N 3.49Å; E453-R456 VanDerWaalsContact O-N 3.17Å; E453-V457 PolarHBondContact O-N 3.3Å
454	D	79.3	Confident	84.8	Confident	135 Å²	135	47.4 Å²	47.4	72%	0.722	23%	0.228	S	C	*	.	H	α-helix	trans	-59.5	-47	176.1	-63.4	-27.3	0	0	0	112.3	R452 R456 V457 A458	R452-D454 VanDerWaalsContact C-N 3.34Å; R452-D454 PolarHBondContact O-N 3.39Å; D454-R456 VanDerWaalsContact C-N 3.3Å; D454-R456 PolarHBondContact O-N 2.87Å; D454-V457 PolarHBondContact O-N 2.95Å; D454-A458 PolarHBondContact O-N 3.26Å
455	D	81.5	Confident	84.4	Confident	21 Å²	21	53 Å²	53	11%	0.112	25%	0.254	C	S	.	.	H	α-helix	trans	-66.8	-34.7	177.6	-71.8	-50.7	0	0	0	111.2	L415 R452 E453 A458 I459	L415-D455 HydrophobicContact CD1-CB 4.29Å; R452-D455 PolarHBondContact O-N 2.83Å; E453-D455 PolarHBondContact O-N 2.99Å; D455-A458 PolarHBondContact O-N 2.77Å; D455-I459 VanDerWaalsContact O-CG1 3.27Å; D455-I459 WeakPolarHBondContact O-CG1 3.47Å; D455-I459 PolarHBondContact O-N 3.09Å
456	R	80.2	Confident	84.1	Confident	36 Å²	36	53.3 Å²	53.3	14%	0.136	26%	0.256	C	S	.	.	H	α-helix	trans	-60.2	-47.6	176.2	-171.6	-176.8	-72.9	-158.5	-0.9	110.8	R452 E453 D454 A458 I459 H460 I511	R452-R456 PolarHBondContact O-N 2.91Å; R452-R456 VanDerWaalsContact O-N 3.11Å; E453-R456 VanDerWaalsContact O-CB 3.3Å; E453-R456 WeakPolarHBondContact O-CB 3.46Å; E453-R456 PolarHBondContact O-N 3.49Å; E453-R456 VanDerWaalsContact O-N 3.17Å; D454-R456 VanDerWaalsContact C-N 3.3Å; D454-R456 PolarHBondContact O-N 2.87Å; R456-A458 VanDerWaalsContact C-N 3.31Å; R456-A458 PolarHBondContact O-N 3.43Å; R456-I459 PolarHBondContact O-N 3.02Å; R456-H460 WeakPolarHBondContact O-CB 3.4Å; R456-H460 PolarHBondContact O-CD2 3.49Å; R456-H460 PolarHBondContact O-N 2.84Å; R456-I511 HydrophobicContact CG-CD1 3.72Å
457	V	83.1	Confident	83.9	Confident	95 Å²	95	54.3 Å²	54.3	58%	0.576	26%	0.262	S	S	*	.	H	α-helix	trans	-61.8	-38	177	176.9	0	0	0	0	112	E453 D454 H460 E461	E453-V457 PolarHBondContact O-N 3.3Å; D454-V457 PolarHBondContact O-N 2.95Å; V457-H460 WeakPolarHBondContact O-CB 3.42Å; V457-H460 PolarHBondContact O-N 2.76Å; V457-E461 PolarHBondContact O-N 2.89Å
458	A	82.3	Confident	83.8	Confident	20 Å²	20	52.3 Å²	52.3	17%	0.165	25%	0.253	C	S	.	.	H	α-helix	trans	-75.2	-38.3	-178	0	0	0	0	0	112.5	T416 D454 D455 R456 H460 E461 A462	T416-A458 HydrophobicContact CG2-CB 3.33Å; D454-A458 PolarHBondContact O-N 3.26Å; D455-A458 PolarHBondContact O-N 2.77Å; R456-A458 VanDerWaalsContact C-N 3.31Å; R456-A458 PolarHBondContact O-N 3.43Å; A458-H460 PolarHBondContact O-N 2.77Å; A458-E461 PolarHBondContact O-N 3.41Å; A458-A462 WeakPolarHBondContact O-CB 3.29Å; A458-A462 PolarHBondContact O-N 2.77Å
459	I	85.7	Confident	83.7	Confident	2 Å²	2	55.2 Å²	55.2	1%	0.01	27%	0.274	C	S	.	.	H	α-helix	trans	-61.9	-37	170.5	-69.9	166.6	0	0	0	110.9	L415 M435 I445 F448 M451 D455 R456 E461 A462 M463	L415-I459 HydrophobicContact CD1-CD1 3.48Å; L415-I459 VanDerWaalsContact CD1-CD1 3.48Å; L415-I459 HydrophobicContact CD1-CG1 4.36Å; M435-I459 HydrophobicContact SD-CG1 3.96Å; I445-I459 HydrophobicContact CD1-CD1 4.31Å; F448-I459 HydrophobicContact CE2-CD1 4.29Å; M451-I459 HydrophobicContact CE-CD1 3.7Å; M451-I459 HydrophobicContact SD-CD1 3.66Å; D455-I459 VanDerWaalsContact O-CG1 3.27Å; D455-I459 WeakPolarHBondContact O-CG1 3.47Å; D455-I459 PolarHBondContact O-N 3.09Å; R456-I459 PolarHBondContact O-N 3.02Å; I459-E461 VanDerWaalsContact C-N 3.34Å; I459-E461 PolarHBondContact O-N 2.67Å; I459-A462 PolarHBondContact O-N 2.89Å; I459-M463 HydrophobicContact CG2-CG 3.9Å; I459-M463 HydrophobicContact CG2-SD 3.39Å; I459-M463 WeakPolarHBondContact CG2-SD 3.06Å; I459-M463 WeakPolarHBondContact O-CB 3.22Å; I459-M463 WeakPolarHBondContact O-CG 3.21Å; I459-M463 PolarHBondContact O-N 2.88Å
460	H	84.8	Confident	83.6	Confident	27 Å²	27	54.1 Å²	54.1	13%	0.125	27%	0.268	C	S	.	.	H	α-helix	trans	-56.4	-47.8	176.4	-92.2	-69.4	0	0	0	111.6	R456 V457 A458 I511 R514	R456-H460 WeakPolarHBondContact O-CB 3.4Å; R456-H460 PolarHBondContact O-CD2 3.49Å; R456-H460 PolarHBondContact O-N 2.84Å; V457-H460 WeakPolarHBondContact O-CB 3.42Å; V457-H460 PolarHBondContact O-N 2.76Å; A458-H460 PolarHBondContact O-N 2.77Å; H460-I511 WeakPolarHBondContact CE1-CG1 3.46Å; H460-I511 WeakPolarHBondContact NE2-CG1 3.36Å; H460-R514 PolarHBondContact ND1-NH1 3.49Å; H460-R514 PolarHBondContact O-NH1 2.88Å
461	E	85.8	Confident	83.7	Confident	52 Å²	52	54.2 Å²	54.2	24%	0.243	28%	0.284	C	S	.	.	H	α-helix	trans	-64	-49	174.2	-173.1	-175.7	151.2	0	0	111.2	V457 A458 I459 M463 E464 Q465 S469	V457-E461 PolarHBondContact O-N 2.89Å; A458-E461 PolarHBondContact O-N 3.41Å; I459-E461 VanDerWaalsContact C-N 3.34Å; I459-E461 PolarHBondContact O-N 2.67Å; E461-M463 PolarHBondContact O-N 2.75Å; E461-E464 PolarHBondContact O-N 3.12Å; E461-E464 VanDerWaalsContact O-N 3.16Å; E461-Q465 PolarHBondContact O-N 3.4Å; E461-S469 VanDerWaalsContact OE1-CB 3.25Å; E461-S469 WeakPolarHBondContact OE1-CB 3.38Å; E461-S469 PolarHBondContact OE1-N 2.84Å; E461-S469 PolarHBondContact OE1-OG 2.89Å; E461-S469 PolarHBondContact OE2-OG 3.06Å
462	A	86.7	Confident	83.7	Confident	2 Å²	2	60.2 Å²	60.2	2%	0.017	31%	0.31	C	S	.	.	H	α-helix	trans	-60.5	-39.1	-176.6	0	0	0	0	0	113.5	M435 A458 I459 Q466 I468	M435-A462 HydrophobicContact CE-CB 3.41Å; M435-A462 VanDerWaalsContact CE-CB 3.41Å; M435-A462 HydrophobicContact SD-CB 4.01Å; A458-A462 WeakPolarHBondContact O-CB 3.29Å; A458-A462 PolarHBondContact O-N 2.77Å; I459-A462 PolarHBondContact O-N 2.89Å; A462-Q466 WeakPolarHBondContact O-CA 3.41Å; A462-Q466 PolarHBondContact O-N 3.32Å; A462-I468 HydrophobicContact CB-CD1 4.25Å; A462-I468 HydrophobicContact CB-CG1 3.8Å
463	M	87.3	Confident	83.6	Confident	6 Å²	6	54.5 Å²	54.5	3%	0.03	30%	0.3	C	S	.	.	H	α-helix	trans	-71.6	-30.1	178.6	-73.1	170.5	73.7	0	0	113	R373 N377 I459 E461 V485 R514 F515	R373-M463 WeakPolarHBondContact CD-O 3.18Å; R373-M463 PolarHBondContact NE-O 2.99Å; R373-M463 PolarHBondContact NH1-O 2.67Å; N377-M463 HydrophobicContact CB-CE 4.31Å; N377-M463 WeakPolarHBondContact ND2-CE 3.48Å; I459-M463 HydrophobicContact CG2-CG 3.9Å; I459-M463 HydrophobicContact CG2-SD 3.39Å; I459-M463 WeakPolarHBondContact CG2-SD 3.06Å; I459-M463 WeakPolarHBondContact O-CB 3.22Å; I459-M463 WeakPolarHBondContact O-CG 3.21Å; I459-M463 PolarHBondContact O-N 2.88Å; E461-M463 PolarHBondContact O-N 2.75Å; M463-V485 HydrophobicContact CG-CG2 4.13Å; M463-R514 HydrophobicContact CE-CB 4.03Å; M463-F515 HydrophobicContact CE-CD1 3.99Å; M463-F515 HydrophobicContact CE-CD2 4.02Å; M463-F515 HydrophobicContact CE-CE1 3.7Å; M463-F515 HydrophobicContact CE-CE2 3.75Å; M463-F515 HydrophobicContact CE-CG 4.14Å; M463-F515 HydrophobicContact CE-CZ 3.57Å; M463-F515 HydrophobicContact SD-CZ 4.37Å
464	E	82.4	Confident	83.3	Confident	74 Å²	74	51.3 Å²	51.3	35%	0.346	31%	0.308	S	S	.	.	H	α-helix	trans	-85.4	-51.6	-178.1	-167.7	79.6	-172.3	0	0	111.2	E461 R514 R616	E461-E464 PolarHBondContact O-N 3.12Å; E461-E464 VanDerWaalsContact O-N 3.16Å; E464-R514 IonicContact OE2-CZ 3.7Å; E464-R514 IonicContact OE2-NE 2.8Å; E464-R514 PolarHBondContact OE2-NE 3.22Å; E464-R514 IonicContact OE2-NH2 2.76Å; E464-R616 VanDerWaalsContact CD-NH2 3.27Å; E464-R616 IonicContact OE1-CZ 3.47Å; E464-R616 IonicContact OE1-NE 3.73Å; E464-R616 PolarHBondContact OE1-NE 3.14Å; E464-R616 IonicContact OE1-NH2 3.66Å; E464-R616 PolarHBondContact OE1-NH2 3.14Å; E464-R616 IonicContact OE2-CZ 3.5Å; E464-R616 IonicContact OE2-NE 3.16Å; E464-R616 IonicContact OE2-NH2 2.93Å; E464-R616 PolarHBondContact OE2-NH2 2.98Å; E464-R616 VanDerWaalsContact OE2-NH2 3.14Å
465	Q	84.4	Confident	83.2	Confident	119 Å²	119	46.6 Å²	46.6	56%	0.556	28%	0.282	S	S	*	.	H	α-helix	trans	-95.4	-16.5	-171.8	-64.6	-179.6	-17.4	0	0	112.7	E461 T467	E461-Q465 PolarHBondContact O-N 3.4Å; Q465-T467 WeakPolarHBondContact CB-OG1 3.41Å; Q465-T467 PolarHBondContact O-N 3.49Å
466	Q	86.2	Confident	83.4	Confident	7 Å²	7	51.3 Å²	51.3	3%	0.033	31%	0.311	C	S	.	.	S	Bend	trans	59.5	25.8	-172.1	-47.6	-165.9	-69	0	0	113.2	R373 D375 A462 S481 R482	R373-Q466 HydrophobicContact CG-CG 4.34Å; D375-Q466 PolarHBondContact OD2-NE2 3.08Å; A462-Q466 WeakPolarHBondContact O-CA 3.41Å; A462-Q466 PolarHBondContact O-N 3.32Å; Q466-S481 CarbonylContact O-C 3.47Å; Q466-S481 PolarHBondContact O-N 3.29Å; Q466-R482 HydrophobicContact CB-CG 4.36Å
467	T	86	Confident	83.3	Confident	34 Å²	34	51.8 Å²	51.8	21%	0.209	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139	147	177.3	55.6	0	0	0	0	108.9	Q465 L479	Q465-T467 WeakPolarHBondContact CB-OG1 3.41Å; Q465-T467 PolarHBondContact O-N 3.49Å; T467-L479 CarbonylContact C-O 3.56Å; T467-L479 VanDerWaalsContact CA-O 3.31Å; T467-L479 WeakPolarHBondContact CA-O 3.44Å
468	I	84.9	Confident	83.3	Confident	5 Å²	5	52 Å²	52	3%	0.026	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	113.8	173.3	-62	169	0	0	0	106.5	T416 M435 V436 A462 I470 T478 L479	T416-I468 HydrophobicContact CG2-CD1 4.09Å; M435-I468 HydrophobicContact CB-CD1 4.26Å; V436-I468 HydrophobicContact CG2-CD1 4.25Å; A462-I468 HydrophobicContact CB-CD1 4.25Å; A462-I468 HydrophobicContact CB-CG1 3.8Å; I468-I470 HydrophobicContact CG2-CD1 4.4Å; I468-I470 HydrophobicContact CG2-CG1 4.15Å; I468-T478 WeakPolarHBondContact O-CA 3.32Å; I468-L479 PolarHBondContact N-O 3.44Å; I468-L479 PolarHBondContact O-N 2.94Å
469	S	84.2	Confident	83.2	Confident	65 Å²	65	52.1 Å²	52.1	46%	0.455	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	128.1	172.6	64.9	0	0	0	0	110.6	E461	E461-S469 VanDerWaalsContact OE1-CB 3.25Å; E461-S469 WeakPolarHBondContact OE1-CB 3.38Å; E461-S469 PolarHBondContact OE1-N 2.84Å; E461-S469 PolarHBondContact OE1-OG 2.89Å; E461-S469 PolarHBondContact OE2-OG 3.06Å
470	I	83.2	Confident	83	Confident	16 Å²	16	54.8 Å²	54.8	8%	0.082	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	117	174.2	-64.9	174.1	0	0	0	107.8	A417 V419 I468 K472 T476 T477 L479	A417-I470 HydrophobicContact CB-CD1 3.36Å; A417-I470 WeakPolarHBondContact O-CD1 3.14Å; V419-I470 HydrophobicContact CG2-CG2 3.7Å; I468-I470 HydrophobicContact CG2-CD1 4.4Å; I468-I470 HydrophobicContact CG2-CG1 4.15Å; I470-K472 HydrophobicContact CG2-CB 4.12Å; I470-K472 HydrophobicContact CG2-CG 4.26Å; I470-T476 WeakPolarHBondContact O-CA 3.2Å; I470-T477 PolarHBondContact N-O 3.4Å; I470-T477 PolarHBondContact O-N 3.32Å; I470-L479 HydrophobicContact CD1-CD1 4.48Å
471	A	83.8	Confident	82.8	Confident	84 Å²	84	53.5 Å²	53.5	69%	0.694	33%	0.326	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-119.5	74.8	172.6	0	0	0	0	0	108.8	I475 T476	A471-I475 WeakPolarHBondContact CA-O 3.39Å; A471-T476 HydrophobicContact CB-CG2 4.19Å
472	K	82.4	Confident	82.7	Confident	139 Å²	139	52.6 Å²	52.6	60%	0.604	32%	0.321	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-132.9	142.6	-177.8	-69	-176.1	-179.8	176.4	0	110.7	V419 I470 G474 I475	V419-K472 HydrophobicContact CG2-CB 4.11Å; I470-K472 HydrophobicContact CG2-CB 4.12Å; I470-K472 HydrophobicContact CG2-CG 4.26Å; K472-G474 PolarHBondContact O-N 2.74Å; K472-G474 VanDerWaalsContact O-N 3.14Å; K472-I475 PolarHBondContact N-O 2.84Å; K472-I475 VanDerWaalsContact N-O 3.07Å; K472-I475 PolarHBondContact O-N 2.88Å
473	A	79.2	Confident	82.7	Confident	56 Å²	56	52.7 Å²	52.7	46%	0.463	32%	0.321	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.9	33.1	174.7	0	0	0	0	0	115.4	V419 F428 I475	V419-A473 HydrophobicContact CG1-CB 4.28Å; F428-A473 HydrophobicContact CD1-CB 3.74Å; F428-A473 HydrophobicContact CD2-CB 4.06Å; F428-A473 HydrophobicContact CE1-CB 3.7Å; F428-A473 HydrophobicContact CE2-CB 4.02Å; F428-A473 HydrophobicContact CG-CB 3.93Å; F428-A473 HydrophobicContact CZ-CB 3.84Å; A473-I475 VanDerWaalsContact C-N 3.25Å; A473-I475 PolarHBondContact O-N 2.85Å
474	G	76.8	Confident	82.9	Confident	83 Å²	83	52.5 Å²	52.5	86%	0.856	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	79.3	1.9	-177.8	0	0	0	0	0	114.7	K472	K472-G474 PolarHBondContact O-N 2.74Å; K472-G474 VanDerWaalsContact O-N 3.14Å
475	I	76.9	Confident	83.3	Confident	36 Å²	36	49 Å²	49	19%	0.185	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	115	171.2	-58.4	176.2	0	0	0	107.8	V419 F428 M430 A471 K472 A473 T477	V419-I475 HydrophobicContact CG1-CD1 4Å; F428-I475 HydrophobicContact CB-CD1 3.61Å; M430-I475 HydrophobicContact CE-CG2 4.36Å; M430-I475 HydrophobicContact CG-CD1 4.2Å; M430-I475 HydrophobicContact CG-CG2 4.29Å; M430-I475 HydrophobicContact SD-CG2 3.67Å; A471-I475 WeakPolarHBondContact CA-O 3.39Å; K472-I475 PolarHBondContact N-O 2.84Å; K472-I475 VanDerWaalsContact N-O 3.07Å; K472-I475 PolarHBondContact O-N 2.88Å; A473-I475 VanDerWaalsContact C-N 3.25Å; A473-I475 PolarHBondContact O-N 2.85Å; I475-T477 HydrophobicContact CG2-CG2 3.58Å
476	T	84.6	Confident	83.8	Confident	119 Å²	119	43.4 Å²	43.4	73%	0.73	28%	0.278	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-110.8	97.4	170.9	54.3	0	0	0	0	108.6	I470 A471	I470-T476 WeakPolarHBondContact O-CA 3.2Å; A471-T476 HydrophobicContact CB-CG2 4.19Å
477	T	79	Confident	84.1	Confident	46 Å²	46	43 Å²	43	28%	0.282	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	141.4	-177.4	52.8	0	0	0	0	110.6	M430 I470 I475	M430-T477 HydrophobicContact CE-CG2 3.79Å; M430-T477 WeakPolarHBondContact CE-OG1 3.49Å; M430-T477 HydrophobicContact SD-CG2 4.37Å; M430-T477 PolarHBondContact SD-OG1 2.91Å; I470-T477 PolarHBondContact N-O 3.4Å; I470-T477 PolarHBondContact O-N 3.32Å; I475-T477 HydrophobicContact CG2-CG2 3.58Å
478	T	82.4	Confident	84.4	Confident	100 Å²	100	41.5 Å²	41.5	61%	0.613	27%	0.267	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-103.5	119	172.5	54.6	0	0	0	0	109.1	I468	I468-T478 WeakPolarHBondContact O-CA 3.32Å
479	L	81.1	Confident	84.6	Confident	22 Å²	22	41.2 Å²	41.2	12%	0.115	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	136.2	173.5	-66.3	176.8	0	0	0	109.4	A417 M430 V436 T467 I468 I470	A417-L479 HydrophobicContact CB-CD1 3.37Å; M430-L479 HydrophobicContact CE-CD2 4.48Å; V436-L479 HydrophobicContact CG2-CB 4.31Å; V436-L479 HydrophobicContact CG2-CD1 4.11Å; T467-L479 CarbonylContact C-O 3.56Å; T467-L479 VanDerWaalsContact CA-O 3.31Å; T467-L479 WeakPolarHBondContact CA-O 3.44Å; I468-L479 PolarHBondContact N-O 3.44Å; I468-L479 PolarHBondContact O-N 2.94Å; I470-L479 HydrophobicContact CD1-CD1 4.48Å
480	N	81	Confident	84.7	Confident	59 Å²	59	40.2 Å²	40.2	32%	0.316	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	135.6	176	-64.9	-24.9	0	0	0	109.7
481	S	80.8	Confident	84.6	Confident	0 Å²	0	39.9 Å²	39.9	0%	0	25%	0.254	C	S	.	.			trans	-134.6	63.6	179.4	63.8	0	0	0	0	109.8	Q466 C483	Q466-S481 CarbonylContact O-C 3.47Å; Q466-S481 PolarHBondContact O-N 3.29Å; S481-C483 PolarHBondContact O-N 2.74Å
482	R	83.9	Confident	84.4	Confident	33 Å²	33	40 Å²	40	13%	0.125	25%	0.246	C	C	.	.			trans	-79.9	67.4	-177.2	-51.5	166.9	-69.1	176.4	-13.1	109.9	D439 G440 Q466	D439-R482 WeakPolarHBondContact OD1-CA 3.33Å; D439-R482 WeakPolarHBondContact OD1-CB 3.47Å; D439-R482 WeakPolarHBondContact OD1-CG 3.34Å; D439-R482 IonicContact OD1-CZ 3.81Å; D439-R482 PolarHBondContact OD1-N 2.9Å; D439-R482 IonicContact OD1-NE 2.65Å; D439-R482 PolarHBondContact OD1-NE 2.92Å; D439-R482 IonicContact OD1-NH2 3.89Å; D439-R482 IonicContact OD2-CZ 2.92Å; D439-R482 IonicContact OD2-NE 3.87Å; D439-R482 PolarHBondContact OD2-NE 3.35Å; D439-R482 IonicContact OD2-NH2 2.88Å; D439-R482 PolarHBondContact OD2-NH2 2.99Å; G440-R482 VanDerWaalsContact CA-O 3.26Å; G440-R482 WeakPolarHBondContact CA-O 3.32Å; G440-R482 PolarHBondContact N-O 3.45Å; Q466-R482 HydrophobicContact CB-CG 4.36Å
483	C	87.1	Confident	84	Confident	4 Å²	4	37.9 Å²	37.9	3%	0.027	24%	0.237	C	C	.	.			trans	-113	147	-178.5	58.3	0	0	0	0	110.8	M435 A438 V443 S481	M435-C483 WeakPolarHBondContact CE-SG 3.29Å; A438-C483 HydrophobicContact CB-CB 4.4Å; A438-C483 WeakPolarHBondContact O-CB 3.41Å; V443-C483 HydrophobicContact CG2-CB 3.84Å; S481-C483 PolarHBondContact O-N 2.74Å
484	A	90.6	Very high	83.7	Confident	2 Å²	2	36.7 Å²	36.7	2%	0.017	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	133.7	162.4	0	0	0	0	0	108.8	L357 D375 I376 G441 V442 V443	L357-A484 HydrophobicContact CD1-CB 4.48Å; L357-A484 HydrophobicContact CD2-CB 4.21Å; L357-A484 HydrophobicContact CG-CB 4.07Å; D375-A484 HydrophobicContact CB-CB 4.24Å; I376-A484 WeakPolarHBondContact O-CB 3.41Å; G441-A484 PolarHBondContact O-N 3.04Å; V442-A484 CarbonylContact C-O 3.58Å; V442-A484 WeakPolarHBondContact CA-O 3.29Å; V442-A484 HydrophobicContact CG2-CB 4.3Å; V443-A484 PolarHBondContact N-O 2.7Å
485	V	92.1	Very high	83.6	Confident	1 Å²	1	40.9 Å²	40.9	1%	0.006	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	122.3	178.6	-178.6	0	0	0	0	109.3	N377 V378 M435 I445 M463 A487 F515	N377-V485 WeakPolarHBondContact CA-O 3.28Å; N377-V485 PolarHBondContact OD1-N 2.94Å; V378-V485 PolarHBondContact N-O 3.3Å; M435-V485 HydrophobicContact CE-CG2 4.37Å; I445-V485 HydrophobicContact CD1-CG1 4Å; I445-V485 HydrophobicContact CG1-CG1 4.45Å; M463-V485 HydrophobicContact CG-CG2 4.13Å; V485-A487 HydrophobicContact CG1-CB 4.38Å; V485-F515 HydrophobicContact CG1-CE1 4.33Å
486	L	93.9	Very high	83.2	Confident	0 Å²	0	40.1 Å²	40.1	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	108.7	166.6	-179.5	63.6	0	0	0	108	L357 V378 L380 L391 L392 V395 V442 V443 C444 I445	L357-L486 HydrophobicContact CD1-CB 4.06Å; L357-L486 HydrophobicContact CD1-CD1 4.35Å; V378-L486 HydrophobicContact CB-CD1 3.71Å; V378-L486 HydrophobicContact CG1-CD1 3.82Å; V378-L486 WeakPolarHBondContact O-CA 3.15Å; L380-L486 HydrophobicContact CD1-CD1 4.29Å; L380-L486 HydrophobicContact CG-CD1 4.36Å; L391-L486 HydrophobicContact CD2-CD2 4.23Å; L392-L486 HydrophobicContact CD2-CB 4.32Å; L392-L486 HydrophobicContact CD2-CD2 3.51Å; L392-L486 HydrophobicContact CD2-CG 3.47Å; L392-L486 VanDerWaalsContact CD2-CG 3.47Å; V395-L486 HydrophobicContact CB-CD2 3.92Å; V395-L486 HydrophobicContact CG1-CD2 3.87Å; V395-L486 HydrophobicContact CG2-CD2 3.81Å; V442-L486 HydrophobicContact CG1-CB 4.28Å; V443-L486 PolarHBondContact O-N 3.33Å; C444-L486 CarbonylContact C-O 3.53Å; C444-L486 WeakPolarHBondContact CA-O 3.31Å; I445-L486 PolarHBondContact N-O 2.67Å
487	A	92	Very high	82.4	Confident	0 Å²	0	37.6 Å²	37.6	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	137.8	-177.4	0	0	0	0	0	110.8	V378 L379 L380 I445 F448 V485 F515	V378-A487 PolarHBondContact O-N 3.42Å; L379-A487 CarbonylContact C-O 3.52Å; L379-A487 WeakPolarHBondContact CA-O 3.5Å; L379-A487 HydrophobicContact CD1-CB 3.7Å; L380-A487 PolarHBondContact N-O 3.08Å; I445-A487 CarbonylContact O-C 3.59Å; I445-A487 WeakPolarHBondContact O-CA 3.46Å; F448-A487 HydrophobicContact CB-CB 4.21Å; F448-A487 HydrophobicContact CD2-CB 3.93Å; F448-A487 HydrophobicContact CG-CB 4.05Å; V485-A487 HydrophobicContact CG1-CB 4.38Å; A487-F515 HydrophobicContact CB-CE1 3.94Å; A487-F515 HydrophobicContact CB-CZ 3.89Å
488	A	92.1	Very high	81.7	Confident	1 Å²	1	39.2 Å²	39.2	1%	0.008	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	135.5	165.9	0	0	0	0	0	109.9	L380 K388 L392 I445 E447 F448	L380-A488 WeakPolarHBondContact O-CA 3.27Å; K388-A488 HydrophobicContact CB-CB 4.3Å; K388-A488 HydrophobicContact CD-CB 4.39Å; L392-A488 HydrophobicContact CD1-CB 3.76Å; L392-A488 HydrophobicContact CG-CB 4.39Å; I445-A488 PolarHBondContact O-N 3.15Å; E447-A488 PolarHBondContact N-O 3.33Å; F448-A488 WeakPolarHBondContact CB-O 3.48Å; F448-A488 PolarHBondContact N-O 2.79Å
489	A	89	Confident	80.9	Confident	0 Å²	0	38.1 Å²	38.1	0%	0	20%	0.199	C	C	.	.			trans	-135.8	153.6	173.8	0	0	0	0	0	110.9	L379 L380 L381 K388 F448 F507	L379-A489 HydrophobicContact CD1-CB 4.5Å; L380-A489 PolarHBondContact O-N 3.06Å; L381-A489 HydrophobicContact CD2-CB 3.68Å; K388-A489 PolarHBondContact NZ-O 2.89Å; F448-A489 HydrophobicContact CB-CB 4.3Å; A489-F507 HydrophobicContact CB-CE2 3.73Å; A489-F507 HydrophobicContact CB-CZ 3.58Å
490	N	86.8	Confident	80.1	Confident	44 Å²	44	41.7 Å²	41.7	24%	0.235	21%	0.213	C	C	.	.			trans	-103.4	152.7	179.5	-63.6	-34	0	0	0	110.1
491	S	81.7	Confident	79.1	Confident	8 Å²	8	39.3 Å²	39.3	6%	0.056	20%	0.203	C	C	.	.			trans	-64.2	140.9	168.3	174.3	0	0	0	0	110	F493 G494 R495	S491-F493 PolarHBondContact O-N 3.05Å; S491-F493 PolarHBondContact OG-N 3.11Å; S491-G494 PolarHBondContact O-N 3.13Å; S491-G494 VanDerWaalsContact O-N 3.07Å; S491-R495 PolarHBondContact OG-O 3.2Å
492	V	78.7	Confident	78.3	Confident	87 Å²	87	45 Å²	45	53%	0.527	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.7	-36.6	177.7	-178.7	0	0	0	0	111.4	G494 D506	V492-G494 VanDerWaalsContact C-N 3.28Å; V492-G494 PolarHBondContact O-N 3.41Å; V492-D506 HydrophobicContact CG2-CB 3.97Å
493	F	75.1	Confident	77.5	Confident	95 Å²	95	49 Å²	49	42%	0.417	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.8	5.5	-177.9	-58.4	-71.6	0	0	0	113.5	S491 R495 E503 N504	S491-F493 PolarHBondContact O-N 3.05Å; S491-F493 PolarHBondContact OG-N 3.11Å; F493-R495 PolarHBondContact O-N 3.15Å; F493-E503 HydrophobicContact CE2-CB 4.31Å; F493-N504 WeakPolarHBondContact CD2-OD1 3.47Å
494	G	72.6	Confident	76.6	Confident	30 Å²	30	48.9 Å²	48.9	31%	0.309	25%	0.248	S	C	.	.	S	Bend	trans	72.5	-35.9	-175.2	0	0	0	0	0	113.6	P384 S491 V492	P384-G494 WeakPolarHBondContact CD-O 3.34Å; S491-G494 PolarHBondContact O-N 3.13Å; S491-G494 VanDerWaalsContact O-N 3.07Å; V492-G494 VanDerWaalsContact C-N 3.28Å; V492-G494 PolarHBondContact O-N 3.41Å
495	R	73.3	Confident	75.8	Confident	172 Å²	172	50.7 Å²	50.7	65%	0.649	26%	0.257	S	S	*	.	S	Bend	trans	-110.7	153.9	166.3	-68.3	-175.2	177.5	-168.9	-4.1	110.5	D383 S491 F493 D497	D383-R495 VanDerWaalsContact OD1-CA 3.28Å; D383-R495 WeakPolarHBondContact OD1-CA 3.47Å; S491-R495 PolarHBondContact OG-O 3.2Å; F493-R495 PolarHBondContact O-N 3.15Å; R495-D497 PolarHBondContact O-N 3.45Å
496	W	69.9	Low	75	Confident	19 Å²	19	55.7 Å²	55.7	7%	0.072	28%	0.284	C	S	.	.			trans	-77.1	102.9	174	-166.3	-80.6	0	0	0	111.2	L381 D383 M498 N504 I505 V520	L381-W496 HydrophobicContact CB-CZ3 4.38Å; D383-W496 PolarHBondContact OD1-N 2.82Å; W496-M498 HydrophobicContact CB-CE 4.18Å; W496-M498 HydrophobicContact CG-CE 4.06Å; W496-M498 PolarHBondContact O-N 3.43Å; W496-N504 HydrophobicContact CD2-CB 4.43Å; W496-N504 HydrophobicContact CE3-CB 4.32Å; W496-N504 HydrophobicContact CH2-CB 4.13Å; W496-N504 HydrophobicContact CZ2-CB 4.23Å; W496-N504 HydrophobicContact CZ3-CB 4.17Å; W496-I505 HydrophobicContact CH2-CD1 3.92Å; W496-I505 HydrophobicContact CH2-CG1 3.71Å; W496-I505 HydrophobicContact CZ3-CG1 4.27Å; W496-V520 HydrophobicContact CD2-CG1 4.04Å; W496-V520 HydrophobicContact CE3-CG1 4.1Å; W496-V520 HydrophobicContact CH2-CG1 4.28Å; W496-V520 HydrophobicContact CH2-CG2 4.32Å; W496-V520 HydrophobicContact CZ2-CG1 4.25Å; W496-V520 HydrophobicContact CZ3-CG1 4.22Å
497	D	67.2	Low	74	Confident	67 Å²	67	56.4 Å²	56.4	36%	0.358	29%	0.287	S	S	.	.			trans	-80	105.5	177.4	-85.9	-9	0	0	0	111.1	R495 S499 K500 N504	R495-D497 PolarHBondContact O-N 3.45Å; D497-S499 PolarHBondContact O-N 2.87Å; D497-S499 VanDerWaalsContact O-N 3.09Å; D497-K500 PolarHBondContact O-N 3.47Å; D497-N504 PolarHBondContact N-ND2 3.46Å; D497-N504 PolarHBondContact O-ND2 3.04Å
498	M	65.2	Low	73.3	Confident	79 Å²	79	61.4 Å²	61.4	39%	0.389	31%	0.312	S	S	.	.	G	3₁₀ helix	trans	-60.1	-23	-179.3	-56.1	-59	154.5	0	0	113.7	W496 R522	W496-M498 HydrophobicContact CB-CE 4.18Å; W496-M498 HydrophobicContact CG-CE 4.06Å; W496-M498 PolarHBondContact O-N 3.43Å; M498-R522 HydrophobicContact CE-CG 4.49Å; M498-R522 PolarHBondContact SD-NH2 3.47Å
499	S	65	Low	72.6	Confident	78 Å²	78	65.6 Å²	65.6	55%	0.545	34%	0.339	S	S	.	.	G	3₁₀ helix	trans	-74.7	-26.5	-178.8	52.7	0	0	0	0	113.4	D497	D497-S499 PolarHBondContact O-N 2.87Å; D497-S499 VanDerWaalsContact O-N 3.09Å
500	K	63.8	Low	72.3	Confident	97 Å²	97	69 Å²	69	42%	0.422	36%	0.36	S	S	.	.	G	3₁₀ helix	trans	-125.3	48	-172.5	-72.5	178.3	156.2	-137.1	0	111.5	D497 E502 E503 N504	D497-K500 PolarHBondContact O-N 3.47Å; K500-E502 PolarHBondContact O-N 2.91Å; K500-E503 HydrophobicContact CB-CB 4.34Å; K500-E503 WeakPolarHBondContact CD-OE2 3.32Å; K500-E503 WeakPolarHBondContact CE-OE2 3.47Å; K500-E503 IonicContact NZ-OE2 3.16Å; K500-E503 PolarHBondContact NZ-OE2 3.22Å; K500-E503 PolarHBondContact O-N 3.42Å; K500-N504 VanDerWaalsContact O-CG 3.3Å; K500-N504 PolarHBondContact O-N 3.11Å; K500-N504 PolarHBondContact O-OD1 3.22Å
501	G	61.3	Low	72.1	Confident	9 Å²	9	67.1 Å²	67.1	9%	0.093	35%	0.35	C	S	.	.	T	Hydrogen-bonded Turn	trans	-53.6	-30.6	-171.7	0	0	0	0	0	116
502	E	63	Low	72.2	Confident	120 Å²	120	67.5 Å²	67.5	56%	0.561	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.4	-36.6	176.9	-65.3	-176.3	174.1	0	0	113.1	K500 N504	K500-E502 PolarHBondContact O-N 2.91Å; E502-N504 VanDerWaalsContact C-N 3.26Å; E502-N504 PolarHBondContact O-N 3.19Å
503	E	67.8	Low	72.4	Confident	115 Å²	115	64.6 Å²	64.6	54%	0.537	33%	0.334	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.9	-14.3	179.8	-63.8	-178.3	175.8	0	0	112.3	F493 K500 I505	F493-E503 HydrophobicContact CE2-CB 4.31Å; K500-E503 HydrophobicContact CB-CB 4.34Å; K500-E503 WeakPolarHBondContact CD-OE2 3.32Å; K500-E503 WeakPolarHBondContact CE-OE2 3.47Å; K500-E503 IonicContact NZ-OE2 3.16Å; K500-E503 PolarHBondContact NZ-OE2 3.22Å; K500-E503 PolarHBondContact O-N 3.42Å; E503-I505 PolarHBondContact O-N 3.42Å
504	N	67.8	Low	72.9	Confident	3 Å²	3	62.4 Å²	62.4	2%	0.016	32%	0.323	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.5	-19.2	178.4	-67.7	-13.8	0	0	0	113.1	F493 W496 D497 K500 E502	F493-N504 WeakPolarHBondContact CD2-OD1 3.47Å; W496-N504 HydrophobicContact CD2-CB 4.43Å; W496-N504 HydrophobicContact CE3-CB 4.32Å; W496-N504 HydrophobicContact CH2-CB 4.13Å; W496-N504 HydrophobicContact CZ2-CB 4.23Å; W496-N504 HydrophobicContact CZ3-CB 4.17Å; D497-N504 PolarHBondContact N-ND2 3.46Å; D497-N504 PolarHBondContact O-ND2 3.04Å; K500-N504 VanDerWaalsContact O-CG 3.3Å; K500-N504 PolarHBondContact O-N 3.11Å; K500-N504 PolarHBondContact O-OD1 3.22Å; E502-N504 VanDerWaalsContact C-N 3.26Å; E502-N504 PolarHBondContact O-N 3.19Å
505	I	72.7	Confident	73.7	Confident	39 Å²	39	61.4 Å²	61.4	20%	0.2	31%	0.311	C	S	.	.			trans	-117	106.1	-176.2	-56.2	171.6	0	0	0	110	L381 W496 E503 F507 L512	L381-I505 HydrophobicContact CD1-CD1 4.07Å; L381-I505 HydrophobicContact CD1-CG1 4.26Å; W496-I505 HydrophobicContact CH2-CD1 3.92Å; W496-I505 HydrophobicContact CH2-CG1 3.71Å; W496-I505 HydrophobicContact CZ3-CG1 4.27Å; E503-I505 PolarHBondContact O-N 3.42Å; I505-F507 HydrophobicContact CG2-CB 3.71Å; I505-F507 HydrophobicContact CG2-CD2 3.38Å; I505-F507 HydrophobicContact CG2-CE2 4.3Å; I505-F507 HydrophobicContact CG2-CG 3.94Å; I505-F507 PolarHBondContact O-N 2.95Å; I505-L512 HydrophobicContact CG2-CD1 3.98Å; I505-L512 HydrophobicContact CG2-CD2 4.37Å
506	D	75.7	Confident	74.4	Confident	106 Å²	106	53.5 Å²	53.5	57%	0.567	28%	0.281	S	S	*	.			trans	-77.8	23.1	175.6	-168	31.6	0	0	0	113.6	V492	V492-D506 HydrophobicContact CG2-CB 3.97Å
507	F	73.1	Confident	75.2	Confident	16 Å²	16	52.7 Å²	52.7	7%	0.07	28%	0.279	C	S	.	.	S	Bend	trans	-99.1	134.6	-179.8	-60.2	-55.1	0	0	0	111.2	L381 F448 D449 A489 I505 I511 L512	L381-F507 HydrophobicContact CD2-CD2 4.5Å; L381-F507 HydrophobicContact CD2-CE2 3.86Å; F448-F507 HydrophobicContact CD1-CD1 4.22Å; F448-F507 AromaticContact CD1-CE1 3.42Å; F448-F507 HydrophobicContact CD1-CE1 3.42Å; F448-F507 VanDerWaalsContact CD1-CE1 3.42Å; F448-F507 AromaticContact CD1-CZ 3.64Å; F448-F507 HydrophobicContact CD1-CZ 3.64Å; F448-F507 HydrophobicContact CE1-CD1 4.12Å; F448-F507 AromaticContact CE1-CE1 3.76Å; F448-F507 HydrophobicContact CE1-CE1 3.76Å; F448-F507 HydrophobicContact CE1-CZ 4.33Å; D449-F507 HydrophobicContact CB-CZ 4.13Å; A489-F507 HydrophobicContact CB-CE2 3.73Å; A489-F507 HydrophobicContact CB-CZ 3.58Å; I505-F507 HydrophobicContact CG2-CB 3.71Å; I505-F507 HydrophobicContact CG2-CD2 3.38Å; I505-F507 HydrophobicContact CG2-CE2 4.3Å; I505-F507 HydrophobicContact CG2-CG 3.94Å; I505-F507 PolarHBondContact O-N 2.95Å; F507-I511 HydrophobicContact CD1-CD1 4.37Å; F507-L512 HydrophobicContact CB-CD1 4.36Å; F507-L512 HydrophobicContact CB-CD2 4.13Å; F507-L512 HydrophobicContact CB-CG 3.99Å; F507-L512 HydrophobicContact CD2-CD2 4.1Å; F507-L512 HydrophobicContact CG-CD2 4.47Å
508	M	78	Confident	76.2	Confident	105 Å²	105	49.8 Å²	49.8	52%	0.517	26%	0.263	S	S	.	.			trans	-58	136.9	165.8	-62.1	177.3	81.9	0	0	109	T510 I511	M508-T510 WeakPolarHBondContact CB-OG1 3.44Å; M508-T510 PolarHBondContact O-N 3.39Å; M508-I511 PolarHBondContact O-N 3.31Å
509	P	77.4	Confident	77.3	Confident	89 Å²	89	46.4 Å²	46.4	58%	0.578	25%	0.246	S	C	*	.	H	α-helix	trans	-55.3	-23.2	178.4	-28	34.8	0	0	0	114	L512 S513	P509-L512 PolarHBondContact O-N 3.28Å; P509-S513 WeakPolarHBondContact O-CB 3.26Å; P509-S513 PolarHBondContact O-N 3.33Å
510	T	81.5	Confident	78.3	Confident	72 Å²	72	44.3 Å²	44.3	44%	0.442	23%	0.23	S	C	.	.	H	α-helix	trans	-64.4	-35	175.6	54.7	0	0	0	0	113.1	M508	M508-T510 WeakPolarHBondContact CB-OG1 3.44Å; M508-T510 PolarHBondContact O-N 3.39Å
511	I	83.9	Confident	79.2	Confident	3 Å²	3	40.5 Å²	40.5	2%	0.015	21%	0.214	C	C	.	.	H	α-helix	trans	-70.9	-50.8	174.2	-64.9	175.3	0	0	0	109.6	F448 R456 H460 F507 M508 S513 R514 F515	F448-I511 HydrophobicContact CE1-CG2 3.92Å; F448-I511 HydrophobicContact CZ-CG2 4.13Å; R456-I511 HydrophobicContact CG-CD1 3.72Å; H460-I511 WeakPolarHBondContact CE1-CG1 3.46Å; H460-I511 WeakPolarHBondContact NE2-CG1 3.36Å; F507-I511 HydrophobicContact CD1-CD1 4.37Å; M508-I511 PolarHBondContact O-N 3.31Å; I511-S513 PolarHBondContact O-N 2.79Å; I511-R514 WeakPolarHBondContact O-CB 3.47Å; I511-R514 PolarHBondContact O-N 2.9Å; I511-F515 HydrophobicContact CG2-CD2 4.03Å; I511-F515 HydrophobicContact CG2-CE2 3.54Å; I511-F515 WeakPolarHBondContact O-CD2 3.47Å
512	L	82.1	Confident	80.1	Confident	16 Å²	16	42.4 Å²	42.4	8%	0.084	22%	0.218	C	C	.	.	H	α-helix	trans	-58.5	-38.5	-176.9	-66.5	175.4	0	0	0	111.3	L379 I505 F507 P509 R514 F515 I518	L379-L512 HydrophobicContact CD2-CD2 3.7Å; I505-L512 HydrophobicContact CG2-CD1 3.98Å; I505-L512 HydrophobicContact CG2-CD2 4.37Å; F507-L512 HydrophobicContact CB-CD1 4.36Å; F507-L512 HydrophobicContact CB-CD2 4.13Å; F507-L512 HydrophobicContact CB-CG 3.99Å; F507-L512 HydrophobicContact CD2-CD2 4.1Å; F507-L512 HydrophobicContact CG-CD2 4.47Å; P509-L512 PolarHBondContact O-N 3.28Å; L512-R514 PolarHBondContact O-N 3.32Å; L512-F515 PolarHBondContact O-N 3.13Å; L512-I518 HydrophobicContact CB-CD1 4.27Å; L512-I518 HydrophobicContact CD2-CD1 4.21Å
513	S	82.9	Confident	81	Confident	26 Å²	26	40.2 Å²	40.2	18%	0.182	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.5	-16.1	175.4	178.2	0	0	0	0	114.7	P509 I511	P509-S513 WeakPolarHBondContact O-CB 3.26Å; P509-S513 PolarHBondContact O-N 3.33Å; I511-S513 PolarHBondContact O-N 2.79Å
514	R	87.1	Confident	81.6	Confident	49 Å²	49	39 Å²	39	19%	0.185	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.1	-9.8	179.1	-72.2	-174.3	170.5	145.8	8.8	114	N377 H460 M463 E464 I511 L512	N377-R514 PolarHBondContact ND2-O 3.43Å; H460-R514 PolarHBondContact ND1-NH1 3.49Å; H460-R514 PolarHBondContact O-NH1 2.88Å; M463-R514 HydrophobicContact CE-CB 4.03Å; E464-R514 IonicContact OE2-CZ 3.7Å; E464-R514 IonicContact OE2-NE 2.8Å; E464-R514 PolarHBondContact OE2-NE 3.22Å; E464-R514 IonicContact OE2-NH2 2.76Å; I511-R514 WeakPolarHBondContact O-CB 3.47Å; I511-R514 PolarHBondContact O-N 2.9Å; L512-R514 PolarHBondContact O-N 3.32Å
515	F	88.3	Confident	82.3	Confident	10 Å²	10	46 Å²	46	4%	0.044	24%	0.239	C	C	.	.			trans	-86.3	140	168	-73.2	-80.8	0	0	0	109.1	N377 L379 F448 M463 V485 A487 I511 L512 I518	N377-F515 HydrophobicContact CB-CD1 3.69Å; N377-F515 HydrophobicContact CB-CE1 4.23Å; N377-F515 HydrophobicContact CB-CG 4.48Å; L379-F515 HydrophobicContact CB-CB 4.18Å; L379-F515 HydrophobicContact CB-CD1 3.69Å; L379-F515 HydrophobicContact CB-CD2 4.2Å; L379-F515 HydrophobicContact CB-CE1 4.08Å; L379-F515 HydrophobicContact CB-CG 3.77Å; L379-F515 HydrophobicContact CB-CZ 4.47Å; L379-F515 HydrophobicContact CD1-CE2 4.43Å; L379-F515 HydrophobicContact CD1-CZ 4.29Å; L379-F515 HydrophobicContact CD2-CD2 4.09Å; L379-F515 HydrophobicContact CD2-CE2 4.32Å; L379-F515 HydrophobicContact CD2-CG 4.43Å; F448-F515 HydrophobicContact CE1-CE2 4.32Å; F448-F515 HydrophobicContact CE1-CZ 4.48Å; F448-F515 HydrophobicContact CE2-CZ 4.42Å; F448-F515 HydrophobicContact CZ-CE2 4.25Å; F448-F515 HydrophobicContact CZ-CZ 4.16Å; M463-F515 HydrophobicContact CE-CD1 3.99Å; M463-F515 HydrophobicContact CE-CD2 4.02Å; M463-F515 HydrophobicContact CE-CE1 3.7Å; M463-F515 HydrophobicContact CE-CE2 3.75Å; M463-F515 HydrophobicContact CE-CG 4.14Å; M463-F515 HydrophobicContact CE-CZ 3.57Å; M463-F515 HydrophobicContact SD-CZ 4.37Å; V485-F515 HydrophobicContact CG1-CE1 4.33Å; A487-F515 HydrophobicContact CB-CE1 3.94Å; A487-F515 HydrophobicContact CB-CZ 3.89Å; I511-F515 HydrophobicContact CG2-CD2 4.03Å; I511-F515 HydrophobicContact CG2-CE2 3.54Å; I511-F515 WeakPolarHBondContact O-CD2 3.47Å; L512-F515 PolarHBondContact O-N 3.13Å; F515-I518 HydrophobicContact CB-CG1 4.09Å
516	D	88.5	Confident	82.8	Confident	6 Å²	6	46 Å²	46	3%	0.032	24%	0.243	C	C	.	.	S	Bend	trans	-88.1	-37.4	-175.2	-61.3	-42.2	0	0	0	111.4	I376 N377 A620 R623	I376-D516 VanDerWaalsContact CA-OD2 3.25Å; I376-D516 WeakPolarHBondContact CA-OD2 3.45Å; I376-D516 HydrophobicContact CG2-CB 3.99Å; N377-D516 PolarHBondContact N-OD2 3.31Å; N377-D516 WeakPolarHBondContact O-CB 3.35Å; N377-D516 PolarHBondContact O-N 3.3Å; D516-A620 HydrophobicContact CB-CB 3.59Å; D516-A620 WeakPolarHBondContact OD1-CB 3.37Å; D516-R623 IonicContact OD1-CZ 2.65Å; D516-R623 VanDerWaalsContact OD1-CZ 3.23Å; D516-R623 IonicContact OD1-NH1 2.75Å; D516-R623 PolarHBondContact OD1-NH1 3.28Å; D516-R623 IonicContact OD1-NH2 3.44Å; D516-R623 PolarHBondContact OD1-NH2 3.27Å; D516-R623 IonicContact OD2-CZ 2.96Å; D516-R623 IonicContact OD2-NH1 3.71Å; D516-R623 PolarHBondContact OD2-NH1 2.79Å; D516-R623 IonicContact OD2-NH2 2.71Å
517	A	87.1	Confident	83.5	Confident	2 Å²	2	48.4 Å²	48.4	2%	0.017	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	128.3	174.4	0	0	0	0	0	109.8	N377 V378 L379 F519	N377-A517 PolarHBondContact O-N 2.89Å; V378-A517 WeakPolarHBondContact CA-O 3.42Å; V378-A517 HydrophobicContact CG2-CB 4.38Å; L379-A517 PolarHBondContact N-O 3.36Å; A517-F519 HydrophobicContact CB-CD2 4.43Å; A517-F519 HydrophobicContact CB-CE2 3.66Å; A517-F519 HydrophobicContact CB-CZ 4.11Å
518	I	88.4	Confident	84.4	Confident	5 Å²	5	51.7 Å²	51.7	3%	0.026	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	113.6	177.7	-57.1	167	0	0	0	107.4	L379 L381 L512 F515 S652	L379-I518 HydrophobicContact CB-CG1 4.38Å; L379-I518 HydrophobicContact CD2-CG1 4.45Å; L379-I518 HydrophobicContact CD2-CG2 4.23Å; L379-I518 CarbonylContact O-C 3.49Å; L379-I518 WeakPolarHBondContact O-CA 3.35Å; L381-I518 HydrophobicContact CD1-CG2 3.77Å; L381-I518 HydrophobicContact CG-CG2 4.27Å; L512-I518 HydrophobicContact CB-CD1 4.27Å; L512-I518 HydrophobicContact CD2-CD1 4.21Å; F515-I518 HydrophobicContact CB-CG1 4.09Å; I518-S652 CarbonylContact O-C 3.49Å; I518-S652 WeakPolarHBondContact O-CA 3.25Å; I518-S652 WeakPolarHBondContact O-CB 3.2Å
519	F	88.5	Confident	84.6	Confident	9 Å²	9	52.5 Å²	52.5	4%	0.039	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	126.2	177.9	-66.8	-76.9	0	0	0	110.3	D349 V350 A353 V378 L379 L380 L381 A517	D349-F519 HydrophobicContact CB-CE1 4.48Å; V350-F519 HydrophobicContact CG2-CB 4.05Å; V350-F519 HydrophobicContact CG2-CD1 4.06Å; V350-F519 HydrophobicContact CG2-CD2 4.47Å; V350-F519 HydrophobicContact CG2-CG 3.92Å; A353-F519 HydrophobicContact CB-CD2 4.48Å; A353-F519 HydrophobicContact CB-CE2 3.28Å; A353-F519 HydrophobicContact CB-CZ 3.41Å; A353-F519 VanDerWaalsContact CB-CZ 3.41Å; V378-F519 HydrophobicContact CG1-CD2 3.9Å; V378-F519 HydrophobicContact CG1-CE2 4.05Å; L379-F519 PolarHBondContact O-N 3.43Å; L380-F519 HydrophobicContact CD2-CB 3.98Å; L380-F519 HydrophobicContact CD2-CD2 4.02Å; L380-F519 HydrophobicContact CD2-CG 4.42Å; L381-F519 PolarHBondContact N-O 2.91Å; A517-F519 HydrophobicContact CB-CD2 4.43Å; A517-F519 HydrophobicContact CB-CE2 3.66Å; A517-F519 HydrophobicContact CB-CZ 4.11Å
520	V	84.6	Confident	85.1	Confident	33 Å²	33	51.5 Å²	51.5	20%	0.2	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	106.8	170.9	-176.5	0	0	0	0	108	L381 W496 R522 A656	L381-V520 HydrophobicContact CB-CG2 4.39Å; W496-V520 HydrophobicContact CD2-CG1 4.04Å; W496-V520 HydrophobicContact CE3-CG1 4.1Å; W496-V520 HydrophobicContact CH2-CG1 4.28Å; W496-V520 HydrophobicContact CH2-CG2 4.32Å; W496-V520 HydrophobicContact CZ2-CG1 4.25Å; W496-V520 HydrophobicContact CZ3-CG1 4.22Å; V520-R522 HydrophobicContact CG1-CG 4.16Å; V520-A656 HydrophobicContact CG2-CB 4.09Å
521	M	83.2	Confident	85.6	Confident	18 Å²	18	52 Å²	52	9%	0.089	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	124.4	175.5	-58.7	-179.2	76.5	0	0	109.2	L381 G382 D383 M386 K388	L381-M521 PolarHBondContact O-N 3.15Å; G382-M521 WeakPolarHBondContact CA-O 3.44Å; D383-M521 PolarHBondContact N-O 3.39Å; M386-M521 HydrophobicContact CB-CB 4.43Å; M386-M521 HydrophobicContact CB-CE 4.08Å; M386-M521 HydrophobicContact CG-CB 4.49Å; K388-M521 HydrophobicContact CG-SD 3.86Å
522	R	80.4	Confident	85.8	Confident	48 Å²	48	53.3 Å²	53.3	18%	0.181	27%	0.273	C	S	.	.			trans	-120.5	139.3	-178.3	-63.5	174.1	175.7	-167.2	-13.9	109.7	M498 V520 L524 Q659 E666	M498-R522 HydrophobicContact CE-CG 4.49Å; M498-R522 PolarHBondContact SD-NH2 3.47Å; V520-R522 HydrophobicContact CG1-CG 4.16Å; R522-L524 HydrophobicContact CB-CG 4.25Å; R522-L524 PolarHBondContact O-N 2.78Å; R522-Q659 VanDerWaalsContact CZ-NE2 3.34Å; R522-Q659 VanDerWaalsContact CZ-OE1 3.29Å; R522-E666 IonicContact CZ-OE2 2.66Å; R522-E666 IonicContact NH1-OE2 3.69Å; R522-E666 PolarHBondContact NH1-OE2 3.12Å; R522-E666 IonicContact NH2-OE2 3.63Å
523	D	82.4	Confident	86	Confident	75 Å²	75	56.1 Å²	56.1	40%	0.401	29%	0.288	S	S	.	.			trans	-87	95.7	168.1	-164.8	6.4	0	0	0	109.9	D383 M386	D383-D523 PolarHBondContact OD2-N 3.22Å; M386-D523 HydrophobicContact CE-CB 3.64Å; M386-D523 VanDerWaalsContact CE-CG 3.44Å; M386-D523 HydrophobicContact SD-CB 3.98Å
524	L	80.7	Confident	86.2	Confident	90 Å²	90	57.1 Å²	57.1	47%	0.471	30%	0.298	S	S	.	.			trans	-98.4	104.5	178.4	-71.3	177.5	0	0	0	109.5	R522 S526 R529	R522-L524 HydrophobicContact CB-CG 4.25Å; R522-L524 PolarHBondContact O-N 2.78Å; L524-S526 PolarHBondContact O-N 2.69Å; L524-S526 VanDerWaalsContact O-N 3.14Å; L524-R529 PolarHBondContact O-NH2 2.98Å
525	H	81.3	Confident	86.4	Confident	149 Å²	149	61.8 Å²	61.8	69%	0.69	32%	0.32	S	S	*	.			trans	-49.8	116.6	175.7	-48	84.4	0	0	0	111.3
526	S	83.8	Confident	86.1	Confident	38 Å²	38	63.7 Å²	63.7	27%	0.266	33%	0.328	S	S	.	.			trans	-155.1	117	177.6	179.7	0	0	0	0	109.2	L524 S528 R529 D530	L524-S526 PolarHBondContact O-N 2.69Å; L524-S526 VanDerWaalsContact O-N 3.14Å; S526-S528 PolarHBondContact O-N 2.9Å; S526-S528 VanDerWaalsContact O-N 3.1Å; S526-S528 PolarHBondContact OG-OG 3.29Å; S526-R529 PolarHBondContact O-N 3.41Å; S526-D530 PolarHBondContact N-OD2 3.2Å; S526-D530 PolarHBondContact O-N 3.4Å
527	Q	90.7	Very high	86	Confident	157 Å²	157	66.4 Å²	66.4	73%	0.734	35%	0.345	S	S	*	.	H	α-helix	trans	-53.9	-38.3	-173.1	-171.1	-179.9	17	0	0	113.3	D530 I531	Q527-D530 PolarHBondContact O-N 3.47Å; Q527-I531 HydrophobicContact CG-CD1 4.01Å; Q527-I531 WeakPolarHBondContact O-CB 3.47Å; Q527-I531 WeakPolarHBondContact O-CD1 3.42Å; Q527-I531 WeakPolarHBondContact O-CG1 3.43Å; Q527-I531 PolarHBondContact O-N 3.25Å
528	S	90.5	Very high	86	Confident	86 Å²	86	70.6 Å²	70.6	60%	0.601	37%	0.366	S	S	*	.	H	α-helix	trans	-67.3	-43.6	179.7	55.7	0	0	0	0	112.4	S526 A532	S526-S528 PolarHBondContact O-N 2.9Å; S526-S528 VanDerWaalsContact O-N 3.1Å; S526-S528 PolarHBondContact OG-OG 3.29Å; S528-A532 PolarHBondContact O-N 3Å; S528-A532 VanDerWaalsContact O-N 3.12Å
529	R	82.8	Confident	85.9	Confident	121 Å²	121	72.4 Å²	72.4	46%	0.457	38%	0.382	S	S	.	.	H	α-helix	trans	-68.7	-38.3	176	-68.9	-167.5	-64.9	-151.3	-11.8	111.5	L524 S526 A532 L533	L524-R529 PolarHBondContact O-NH2 2.98Å; S526-R529 PolarHBondContact O-N 3.41Å; R529-A532 PolarHBondContact O-N 3.4Å; R529-L533 VanDerWaalsContact O-CB 3.25Å; R529-L533 WeakPolarHBondContact O-CB 3.45Å; R529-L533 PolarHBondContact O-N 3.03Å
530	D	87.9	Confident	85.5	Confident	69 Å²	69	74.6 Å²	74.6	37%	0.369	40%	0.396	S	S	.	.	H	α-helix	trans	-66.2	-40.4	179.7	-59.8	-20.6	0	0	0	110.9	S526 Q527 L533 A534	S526-D530 PolarHBondContact N-OD2 3.2Å; S526-D530 PolarHBondContact O-N 3.4Å; Q527-D530 PolarHBondContact O-N 3.47Å; D530-L533 PolarHBondContact O-N 3.4Å; D530-A534 VanDerWaalsContact O-CB 3.22Å; D530-A534 WeakPolarHBondContact O-CB 3.31Å; D530-A534 PolarHBondContact O-N 3.16Å
531	I	92.1	Very high	85.4	Confident	83 Å²	83	79.7 Å²	79.7	43%	0.426	42%	0.417	S	S	.	.	H	α-helix	trans	-63.2	-45.1	172.9	-69.3	165.1	0	0	0	110.8	Q527 A534 K535	Q527-I531 HydrophobicContact CG-CD1 4.01Å; Q527-I531 WeakPolarHBondContact O-CB 3.47Å; Q527-I531 WeakPolarHBondContact O-CD1 3.42Å; Q527-I531 WeakPolarHBondContact O-CG1 3.43Å; Q527-I531 PolarHBondContact O-N 3.25Å; I531-A534 PolarHBondContact O-N 3.12Å; I531-K535 HydrophobicContact CG2-CD 4.17Å; I531-K535 HydrophobicContact CG2-CG 4.49Å; I531-K535 WeakPolarHBondContact O-CB 3.36Å; I531-K535 WeakPolarHBondContact O-CG 3.3Å; I531-K535 PolarHBondContact O-N 2.96Å
532	A	88.2	Confident	85.3	Confident	29 Å²	29	85.4 Å²	85.4	24%	0.24	45%	0.445	C	S	.	.	H	α-helix	trans	-64.2	-43.4	179.2	0	0	0	0	0	111.8	Y345 S528 R529 K535 H536	Y345-A532 HydrophobicContact CE1-CB 3.78Å; S528-A532 PolarHBondContact O-N 3Å; S528-A532 VanDerWaalsContact O-N 3.12Å; R529-A532 PolarHBondContact O-N 3.4Å; A532-K535 PolarHBondContact O-N 3.11Å; A532-H536 WeakPolarHBondContact O-CB 3.23Å; A532-H536 PolarHBondContact O-N 2.91Å
533	L	86	Confident	85	Confident	75 Å²	75	88 Å²	88	39%	0.393	46%	0.463	S	S	.	.	H	α-helix	trans	-61.7	-47.2	175.3	-176	68.7	0	0	0	110.9	Y345 R529 D530 H536 V537	Y345-L533 HydrophobicContact CD1-CB 4.5Å; Y345-L533 HydrophobicContact CD1-CD1 4.34Å; R529-L533 VanDerWaalsContact O-CB 3.25Å; R529-L533 WeakPolarHBondContact O-CB 3.45Å; R529-L533 PolarHBondContact O-N 3.03Å; D530-L533 PolarHBondContact O-N 3.4Å; L533-H536 PolarHBondContact O-N 3.03Å; L533-V537 HydrophobicContact CD1-CG2 4.34Å; L533-V537 HydrophobicContact CG-CG2 4.4Å; L533-V537 WeakPolarHBondContact O-CB 3.47Å; L533-V537 VanDerWaalsContact O-CG2 3.27Å; L533-V537 WeakPolarHBondContact O-CG2 3.49Å; L533-V537 PolarHBondContact O-N 3.17Å
534	A	88.4	Confident	84.1	Confident	48 Å²	48	88.2 Å²	88.2	40%	0.397	48%	0.475	S	S	.	.	H	α-helix	trans	-60.9	-47.1	178.3	0	0	0	0	0	111.6	D530 I531 H536 V537 I538	D530-A534 VanDerWaalsContact O-CB 3.22Å; D530-A534 WeakPolarHBondContact O-CB 3.31Å; D530-A534 PolarHBondContact O-N 3.16Å; I531-A534 PolarHBondContact O-N 3.12Å; A534-H536 VanDerWaalsContact C-N 3.31Å; A534-H536 PolarHBondContact O-N 3.11Å; A534-V537 PolarHBondContact O-N 3.43Å; A534-I538 WeakPolarHBondContact O-CB 3.36Å; A534-I538 WeakPolarHBondContact O-CD1 3.37Å; A534-I538 WeakPolarHBondContact O-CG1 3.46Å; A534-I538 PolarHBondContact O-N 2.93Å
535	K	90.2	Very high	83	Confident	147 Å²	147	88.3 Å²	88.3	64%	0.639	49%	0.489	S	S	*	.	H	α-helix	trans	-57.8	-44.2	175.3	-75.9	179.2	179.2	-175.8	0	111.7	I531 A532 A539	I531-K535 HydrophobicContact CG2-CD 4.17Å; I531-K535 HydrophobicContact CG2-CG 4.49Å; I531-K535 WeakPolarHBondContact O-CB 3.36Å; I531-K535 WeakPolarHBondContact O-CG 3.3Å; I531-K535 PolarHBondContact O-N 2.96Å; A532-K535 PolarHBondContact O-N 3.11Å; K535-A539 WeakPolarHBondContact O-CB 3.47Å; K535-A539 PolarHBondContact O-N 2.66Å
536	H	83.4	Confident	81.8	Confident	50 Å²	50	85.9 Å²	85.9	23%	0.231	48%	0.484	C	S	.	.	H	α-helix	trans	-65.9	-47	179.6	-173.9	-82.6	0	0	0	112.2	P342 S343 Y345 A532 L533 A534 I538 A539 V540	P342-H536 PolarHBondContact O-CE1 3.35Å; P342-H536 PolarHBondContact O-NE2 2.95Å; S343-H536 PolarHBondContact O-CE1 3.22Å; Y345-H536 HydrophobicContact CD2-CB 4.26Å; Y345-H536 AromaticContact CD2-CD2 3.88Å; Y345-H536 HydrophobicContact CG-CB 4.32Å; A532-H536 WeakPolarHBondContact O-CB 3.23Å; A532-H536 PolarHBondContact O-N 2.91Å; L533-H536 PolarHBondContact O-N 3.03Å; A534-H536 VanDerWaalsContact C-N 3.31Å; A534-H536 PolarHBondContact O-N 3.11Å; H536-I538 VanDerWaalsContact C-N 3.32Å; H536-I538 PolarHBondContact O-N 3.14Å; H536-A539 PolarHBondContact O-N 3.24Å; H536-V540 WeakPolarHBondContact O-CG2 3.06Å; H536-V540 PolarHBondContact O-N 2.92Å
537	V	85.2	Confident	80.1	Confident	63 Å²	63	91.9 Å²	91.9	38%	0.382	51%	0.508	S	S	.	.	H	α-helix	trans	-62.4	-41.5	178.9	172.6	0	0	0	0	110.9	L533 A534 V540 H541	L533-V537 HydrophobicContact CD1-CG2 4.34Å; L533-V537 HydrophobicContact CG-CG2 4.4Å; L533-V537 WeakPolarHBondContact O-CB 3.47Å; L533-V537 VanDerWaalsContact O-CG2 3.27Å; L533-V537 WeakPolarHBondContact O-CG2 3.49Å; L533-V537 PolarHBondContact O-N 3.17Å; A534-V537 PolarHBondContact O-N 3.43Å; V537-V540 PolarHBondContact O-N 2.64Å; V537-H541 PolarHBondContact O-N 2.86Å; V537-H541 PolarHBondContact O-ND1 2.73Å
538	I	87.9	Confident	78	Confident	90 Å²	90	92.7 Å²	92.7	46%	0.462	51%	0.511	S	S	.	.	H	α-helix	trans	-62.8	-46.2	175	-67.9	165.5	0	0	0	110.4	A534 H536 V540 H541 M542	A534-I538 WeakPolarHBondContact O-CB 3.36Å; A534-I538 WeakPolarHBondContact O-CD1 3.37Å; A534-I538 WeakPolarHBondContact O-CG1 3.46Å; A534-I538 PolarHBondContact O-N 2.93Å; H536-I538 VanDerWaalsContact C-N 3.32Å; H536-I538 PolarHBondContact O-N 3.14Å; I538-V540 VanDerWaalsContact C-N 3.32Å; I538-V540 PolarHBondContact O-N 3.05Å; I538-H541 PolarHBondContact O-N 2.91Å; I538-H541 VanDerWaalsContact O-N 3.14Å; I538-M542 HydrophobicContact CG2-CE 3.72Å; I538-M542 HydrophobicContact CG2-CG 4.17Å; I538-M542 HydrophobicContact CG2-SD 3.83Å; I538-M542 WeakPolarHBondContact O-CB 3.4Å; I538-M542 WeakPolarHBondContact O-CG 3.39Å; I538-M542 PolarHBondContact O-N 3.38Å
539	A	85.4	Confident	75.6	Confident	43 Å²	43	97.1 Å²	97.1	36%	0.355	52%	0.523	S	S	.	.	H	α-helix	trans	-58.8	-43.2	177.7	0	0	0	0	0	111.9	K535 H536 H541 M542 N543	K535-A539 WeakPolarHBondContact O-CB 3.47Å; K535-A539 PolarHBondContact O-N 2.66Å; H536-A539 PolarHBondContact O-N 3.24Å; A539-H541 PolarHBondContact O-N 2.84Å; A539-M542 PolarHBondContact O-N 3.01Å; A539-N543 VanDerWaalsContact O-CB 3.27Å; A539-N543 WeakPolarHBondContact O-CB 3.14Å; A539-N543 PolarHBondContact O-N 3.04Å; A539-N543 PolarHBondContact O-ND2 2.96Å
540	V	81	Confident	74	Confident	54 Å²	54	95.6 Å²	95.6	33%	0.327	53%	0.53	S	S	.	.	H	α-helix	trans	-63.2	-40.7	175.8	173.7	0	0	0	0	111.6	H536 V537 I538 A544	H536-V540 WeakPolarHBondContact O-CG2 3.06Å; H536-V540 PolarHBondContact O-N 2.92Å; V537-V540 PolarHBondContact O-N 2.64Å; I538-V540 VanDerWaalsContact C-N 3.32Å; I538-V540 PolarHBondContact O-N 3.05Å; V540-A544 PolarHBondContact O-N 2.74Å; V540-A544 VanDerWaalsContact O-N 3.08Å
541	H	82.1	Confident	72.4	Confident	140 Å²	140	96.9 Å²	96.9	65%	0.648	54%	0.541	S	S	*	.	H	α-helix	trans	-72.2	-34	178.7	-77.3	57.7	0	0	0	112.8	V537 I538 A539 A544	V537-H541 PolarHBondContact O-N 2.86Å; V537-H541 PolarHBondContact O-ND1 2.73Å; I538-H541 PolarHBondContact O-N 2.91Å; I538-H541 VanDerWaalsContact O-N 3.14Å; A539-H541 PolarHBondContact O-N 2.84Å; H541-A544 WeakPolarHBondContact O-CB 3.5Å
542	M	81.5	Confident	70.3	Confident	138 Å²	138	102.6 Å²	102.6	68%	0.68	57%	0.566	S	S	*	*	H	α-helix	trans	-69.2	-42.4	174.2	-73.3	-178.2	166.9	0	0	111.3	I538 A539 A544	I538-M542 HydrophobicContact CG2-CE 3.72Å; I538-M542 HydrophobicContact CG2-CG 4.17Å; I538-M542 HydrophobicContact CG2-SD 3.83Å; I538-M542 WeakPolarHBondContact O-CB 3.4Å; I538-M542 WeakPolarHBondContact O-CG 3.39Å; I538-M542 PolarHBondContact O-N 3.38Å; A539-M542 PolarHBondContact O-N 3.01Å; M542-A544 VanDerWaalsContact C-N 3.26Å; M542-A544 PolarHBondContact O-N 2.86Å
543	N	73.4	Confident	68.8	Low	103 Å²	103	102.8 Å²	102.8	55%	0.551	57%	0.571	S	S	*	*	H	α-helix	trans	-78	-8.7	-179.2	-66.1	-8.8	0	0	0	113.3	A539 A545 V546	A539-N543 VanDerWaalsContact O-CB 3.27Å; A539-N543 WeakPolarHBondContact O-CB 3.14Å; A539-N543 PolarHBondContact O-N 3.04Å; A539-N543 PolarHBondContact O-ND2 2.96Å; N543-A545 PolarHBondContact O-N 3.04Å; N543-V546 CarbonylContact O-C 3.59Å; N543-V546 PolarHBondContact O-N 3.38Å
544	A	63.5	Low	68	Low	79 Å²	79	102.4 Å²	102.4	65%	0.653	57%	0.567	S	S	*	*	T	Hydrogen-bonded Turn	trans	-59	-19.4	175.9	0	0	0	0	0	113.2	V540 H541 M542	V540-A544 PolarHBondContact O-N 2.74Å; V540-A544 VanDerWaalsContact O-N 3.08Å; H541-A544 WeakPolarHBondContact O-CB 3.5Å; M542-A544 VanDerWaalsContact C-N 3.26Å; M542-A544 PolarHBondContact O-N 2.86Å
545	A	58.4	Low	67.1	Low	92 Å²	92	101.1 Å²	101.1	76%	0.76	55%	0.553	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.4	-16.6	173.7	0	0	0	0	0	114	N543	N543-A545 PolarHBondContact O-N 3.04Å
546	V	54.9	Low	66.5	Low	98 Å²	98	97.7 Å²	97.7	59%	0.594	55%	0.546	S	S	*	.	S	Bend	trans	-107.7	78.3	-178.9	-170.8	0	0	0	0	107.6	N543 H548	N543-V546 CarbonylContact O-C 3.59Å; N543-V546 PolarHBondContact O-N 3.38Å; V546-H548 PolarHBondContact O-N 3.33Å
547	E	49.5	Very low	66.4	Low	165 Å²	165	99.1 Å²	99.1	77%	0.771	56%	0.555	S	S	*	*			trans	-58	127.5	167.6	-68.1	-174.6	154.7	0	0	109.3
548	H	45.4	Very low	66	Low	173 Å²	173	99.8 Å²	99.8	80%	0.801	56%	0.562	S	S	*	*			trans	77.5	57.1	160.7	-58.7	-63.4	0	0	0	120.8	V546	V546-H548 PolarHBondContact O-N 3.33Å
549	E	40.9	Very low	65.7	Low	180 Å²	180	97.4 Å²	97.4	84%	0.841	55%	0.552	S	S	*	*			trans	-118.7	99.8	138.8	-74	-167	168	0	0	108.7	T551	E549-T551 PolarHBondContact O-N 2.83Å; E549-T551 VanDerWaalsContact O-N 3.16Å
550	S	49.7	Very low	65.6	Low	88 Å²	88	95.6 Å²	95.6	62%	0.615	54%	0.536	S	S	*	.			trans	-50.9	120.2	169.1	46.3	0	0	0	0	108.4	E552	S550-E552 PolarHBondContact O-N 2.68Å
551	T	53	Low	65.8	Low	96 Å²	96	96.9 Å²	96.9	59%	0.589	54%	0.538	S	S	*	.			trans	-50.8	129.8	169.1	-47.8	0	0	0	0	107.5	E549 G553 E554	E549-T551 PolarHBondContact O-N 2.83Å; E549-T551 VanDerWaalsContact O-N 3.16Å; T551-G553 PolarHBondContact O-N 2.88Å; T551-E554 PolarHBondContact O-N 3.47Å
552	E	48.7	Very low	65.8	Low	203 Å²	203	93 Å²	93	95%	0.949	52%	0.519	S	S	*	.	T	Hydrogen-bonded Turn	trans	-48.9	104.7	-177.2	-72.1	-171	156.3	0	0	110.2	S550	S550-E552 PolarHBondContact O-N 2.68Å
553	G	57.2	Low	66	Low	34 Å²	34	86.9 Å²	86.9	35%	0.351	49%	0.488	S	S	.	.	T	Hydrogen-bonded Turn	trans	126	-15	-176.7	0	0	0	0	0	115.7	R335 T551	R335-G553 VanDerWaalsContact CG-O 3.28Å; R335-G553 WeakPolarHBondContact CG-O 3.06Å; R335-G553 PolarHBondContact NE-O 3.1Å; R335-G553 PolarHBondContact NH2-O 2.84Å; T551-G553 PolarHBondContact O-N 2.88Å
554	E	67.4	Low	66.6	Low	67 Å²	67	82 Å²	82	31%	0.313	46%	0.462	S	S	.	.	P	Polyproline II helix	trans	-77.2	134.2	178.2	-67.3	178.1	171.8	0	0	111.9	T551	T551-E554 PolarHBondContact O-N 3.47Å
555	I	70.9	Confident	67.5	Low	20 Å²	20	78.9 Å²	78.9	10%	0.103	44%	0.436	C	S	.	.	P	Polyproline II helix	trans	-86.1	126.9	174.9	-58.6	173.8	0	0	0	107.9	R335 I336 S339 L557 T559 M560	R335-I555 HydrophobicContact CG-CD1 4.4Å; R335-I555 HydrophobicContact CG-CG1 4.44Å; I336-I555 HydrophobicContact CG1-CD1 4.15Å; S339-I555 PolarHBondContact OG-N 3.43Å; I555-L557 PolarHBondContact O-N 3.36Å; I555-T559 HydrophobicContact CG2-CG2 4.09Å; I555-M560 HydrophobicContact CG2-CB 4.21Å
556	P	78	Confident	68.7	Low	76 Å²	76	75.5 Å²	75.5	49%	0.494	40%	0.404	S	S	.	.	P	Polyproline II helix	trans	-60.8	140.5	176.6	21.8	-30	0	0	0	110.9	S558 T559 M560	P556-S558 PolarHBondContact O-N 3.45Å; P556-S558 VanDerWaalsContact O-N 3.12Å; P556-T559 WeakPolarHBondContact CG-OG1 3.39Å; P556-T559 PolarHBondContact O-N 2.86Å; P556-M560 PolarHBondContact O-N 2.62Å
557	L	79.4	Confident	70.2	Confident	80 Å²	80	70.8 Å²	70.8	42%	0.419	38%	0.376	S	S	.	.	H	α-helix	trans	-54.2	-35.6	-175	-62.7	168.3	0	0	0	112.9	F394 V398 I555 M560 K561	F394-L557 HydrophobicContact CE1-CD2 4.46Å; F394-L557 HydrophobicContact CE2-CD2 3.93Å; F394-L557 HydrophobicContact CZ-CD2 3.58Å; V398-L557 HydrophobicContact CG2-CD2 3.63Å; I555-L557 PolarHBondContact O-N 3.36Å; L557-M560 PolarHBondContact O-N 2.96Å; L557-K561 WeakPolarHBondContact O-CG 3.39Å; L557-K561 PolarHBondContact O-N 3.37Å
558	S	78.1	Confident	71.8	Confident	76 Å²	76	64.2 Å²	64.2	53%	0.531	34%	0.344	S	S	.	.	H	α-helix	trans	-65.8	-45.6	177.6	53.8	0	0	0	0	112.3	P556 M560 K561 K562	P556-S558 PolarHBondContact O-N 3.45Å; P556-S558 VanDerWaalsContact O-N 3.12Å; S558-M560 VanDerWaalsContact C-N 3.34Å; S558-K561 PolarHBondContact O-N 3.16Å; S558-K562 WeakPolarHBondContact O-CG 3.49Å; S558-K562 PolarHBondContact O-N 2.83Å; S558-K562 VanDerWaalsContact O-N 3.13Å
559	T	81.9	Confident	73.3	Confident	41 Å²	41	60 Å²	60	25%	0.252	33%	0.327	S	S	.	.	H	α-helix	trans	-65	-41.3	174.6	-58	0	0	0	0	110.2	M323 L326 I555 P556 K561 K562 Y563	M323-T559 HydrophobicContact CE-CG2 3.76Å; M323-T559 HydrophobicContact SD-CG2 4.14Å; L326-T559 HydrophobicContact CD1-CG2 4.19Å; I555-T559 HydrophobicContact CG2-CG2 4.09Å; P556-T559 WeakPolarHBondContact CG-OG1 3.39Å; P556-T559 PolarHBondContact O-N 2.86Å; T559-K561 PolarHBondContact O-N 3.27Å; T559-K562 PolarHBondContact O-N 2.83Å; T559-Y563 VanDerWaalsContact O-CB 3.27Å; T559-Y563 WeakPolarHBondContact O-CB 3.34Å; T559-Y563 PolarHBondContact O-N 3.23Å
560	M	83.7	Confident	75.3	Confident	5 Å²	5	56 Å²	56	3%	0.025	31%	0.307	C	S	.	.	H	α-helix	trans	-60.6	-43.8	176.9	-173	179.3	171.3	0	0	112.1	I336 I340 L358 V398 I555 P556 L557 S558 Y563 I564	I336-M560 HydrophobicContact CG2-CE 4.21Å; I340-M560 HydrophobicContact CD1-CE 4.1Å; I340-M560 HydrophobicContact CG1-CE 3.68Å; L358-M560 HydrophobicContact CD1-CE 3.81Å; V398-M560 HydrophobicContact CG1-CE 3.33Å; V398-M560 HydrophobicContact CG1-CG 4.2Å; V398-M560 HydrophobicContact CG1-SD 3.67Å; V398-M560 HydrophobicContact CG2-SD 4.37Å; I555-M560 HydrophobicContact CG2-CB 4.21Å; P556-M560 PolarHBondContact O-N 2.62Å; L557-M560 PolarHBondContact O-N 2.96Å; S558-M560 VanDerWaalsContact C-N 3.34Å; M560-Y563 PolarHBondContact O-N 3.02Å; M560-I564 HydrophobicContact CE-CD1 4.03Å; M560-I564 HydrophobicContact CG-CD1 4.02Å; M560-I564 VanDerWaalsContact O-CG1 3.31Å; M560-I564 WeakPolarHBondContact O-CG1 3.23Å; M560-I564 PolarHBondContact O-N 3.27Å
561	K	83.7	Confident	76.7	Confident	81 Å²	81	52.9 Å²	52.9	35%	0.352	29%	0.285	S	S	.	.	H	α-helix	trans	-57	-51.3	173.4	-83.3	-179.4	179.7	-168.4	0	112.6	S397 V398 L557 S558 T559 Y563 I564 A565	S397-K561 WeakPolarHBondContact O-CE 3.45Å; S397-K561 PolarHBondContact O-NZ 2.79Å; V398-K561 WeakPolarHBondContact O-CG 3.35Å; L557-K561 WeakPolarHBondContact O-CG 3.39Å; L557-K561 PolarHBondContact O-N 3.37Å; S558-K561 PolarHBondContact O-N 3.16Å; T559-K561 PolarHBondContact O-N 3.27Å; K561-Y563 VanDerWaalsContact C-N 3.28Å; K561-Y563 PolarHBondContact O-N 2.83Å; K561-I564 PolarHBondContact O-N 3.44Å; K561-A565 PolarHBondContact O-N 3.41Å
562	K	81.7	Confident	78.2	Confident	59 Å²	59	50.4 Å²	50.4	26%	0.257	28%	0.278	S	S	.	.	H	α-helix	trans	-60.3	-41.6	178.5	-71	-177.9	175.6	-169.9	0	111	I313 L315 E319 M323 S558 T559 A565 Y566	I313-K562 HydrophobicContact CD1-CG 4.27Å; I313-K562 HydrophobicContact CG2-CD 4.4Å; I313-K562 HydrophobicContact CG2-CG 4.3Å; L315-K562 HydrophobicContact CD1-CB 4.5Å; E319-K562 IonicContact OE1-NZ 2.63Å; E319-K562 PolarHBondContact OE1-NZ 3.07Å; E319-K562 IonicContact OE2-NZ 3.23Å; E319-K562 PolarHBondContact OE2-NZ 2.81Å; M323-K562 HydrophobicContact CE-CB 3.65Å; M323-K562 HydrophobicContact CE-CD 4.46Å; S558-K562 WeakPolarHBondContact O-CG 3.49Å; S558-K562 PolarHBondContact O-N 2.83Å; S558-K562 VanDerWaalsContact O-N 3.13Å; T559-K562 PolarHBondContact O-N 2.83Å; K562-A565 PolarHBondContact O-N 2.53Å; K562-Y566 VanDerWaalsContact O-CB 3.27Å; K562-Y566 WeakPolarHBondContact O-CB 3.14Å; K562-Y566 PolarHBondContact O-N 3.09Å
563	Y	86.7	Confident	80.1	Confident	9 Å²	9	40.7 Å²	40.7	4%	0.035	23%	0.233	C	C	.	.	H	α-helix	trans	-63.2	-47.6	178.4	-173.1	-110.9	0	0	0	112.2	M323 A327 I332 I336 F359 T559 M560 K561 A565 Y566 C567 L631	M323-Y563 HydrophobicContact CB-CD2 3.98Å; M323-Y563 HydrophobicContact CB-CE2 4.31Å; M323-Y563 HydrophobicContact CG-CD2 4.17Å; M323-Y563 WeakPolarHBondContact O-CE2 3.34Å; M323-Y563 HydrophobicContact SD-CD2 3.56Å; M323-Y563 VanDerWaalsContact SD-CD2 3.56Å; M323-Y563 HydrophobicContact SD-CG 4.11Å; A327-Y563 HydrophobicContact CB-CE2 4.33Å; A327-Y563 WeakPolarHBondContact CB-OH 3.25Å; I332-Y563 HydrophobicContact CD1-CE1 3.82Å; I332-Y563 WeakPolarHBondContact CD1-OH 3.32Å; I336-Y563 HydrophobicContact CD1-CE1 4.11Å; F359-Y563 AromaticContact CE1-CD1 3.93Å; F359-Y563 HydrophobicContact CE1-CD1 3.93Å; F359-Y563 AromaticContact CE1-CE1 3.86Å; F359-Y563 HydrophobicContact CE1-CE1 3.86Å; F359-Y563 AromaticContact CZ-CD1 3.87Å; F359-Y563 HydrophobicContact CZ-CD1 3.87Å; F359-Y563 AromaticContact CZ-CE1 3.76Å; F359-Y563 HydrophobicContact CZ-CE1 3.76Å; T559-Y563 VanDerWaalsContact O-CB 3.27Å; T559-Y563 WeakPolarHBondContact O-CB 3.34Å; T559-Y563 PolarHBondContact O-N 3.23Å; M560-Y563 PolarHBondContact O-N 3.02Å; K561-Y563 VanDerWaalsContact C-N 3.28Å; K561-Y563 PolarHBondContact O-N 2.83Å; Y563-A565 VanDerWaalsContact C-N 3.34Å; Y563-A565 PolarHBondContact O-N 3.23Å; Y563-Y566 WeakPolarHBondContact O-CB 3.38Å; Y563-Y566 PolarHBondContact O-N 2.73Å; Y563-C567 PolarHBondContact O-N 2.6Å; Y563-C567 PolarHBondContact O-SG 3.2Å; Y563-L631 PolarHBondContact OH-O 3.18Å
564	I	86.8	Confident	81.6	Confident	0 Å²	0	44.1 Å²	44.1	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-59.8	-45.8	177	-68.6	162.1	0	0	0	110.9	L358 F359 V398 P400 M560 K561 Y566 C567 R568	L358-I564 HydrophobicContact CB-CD1 4.05Å; L358-I564 HydrophobicContact CD1-CD1 4.1Å; L358-I564 HydrophobicContact CD2-CD1 4.5Å; L358-I564 HydrophobicContact CG-CD1 4.46Å; L358-I564 VanDerWaalsContact O-CG2 3.25Å; L358-I564 WeakPolarHBondContact O-CG2 3.14Å; F359-I564 HydrophobicContact CE1-CG1 4Å; F359-I564 HydrophobicContact CZ-CG1 4.1Å; V398-I564 HydrophobicContact CG1-CD1 3.92Å; P400-I564 HydrophobicContact CG-CB 4.48Å; P400-I564 HydrophobicContact CG-CG2 4.07Å; M560-I564 HydrophobicContact CE-CD1 4.03Å; M560-I564 HydrophobicContact CG-CD1 4.02Å; M560-I564 VanDerWaalsContact O-CG1 3.31Å; M560-I564 WeakPolarHBondContact O-CG1 3.23Å; M560-I564 PolarHBondContact O-N 3.27Å; K561-I564 PolarHBondContact O-N 3.44Å; I564-Y566 VanDerWaalsContact C-N 3.33Å; I564-Y566 PolarHBondContact O-N 2.72Å; I564-C567 PolarHBondContact O-N 3.08Å; I564-R568 HydrophobicContact CG2-CG 4.49Å; I564-R568 WeakPolarHBondContact O-CB 3.13Å; I564-R568 VanDerWaalsContact O-CG 3.32Å; I564-R568 WeakPolarHBondContact O-CG 3.27Å; I564-R568 PolarHBondContact O-N 3.3Å
565	A	81.4	Confident	82.6	Confident	13 Å²	13	43 Å²	43	11%	0.107	23%	0.231	C	C	.	.	H	α-helix	trans	-61	-43.7	177.6	0	0	0	0	0	111.5	A310 I313 P400 K561 K562 Y563 R568 D569	A310-A565 HydrophobicContact CB-CB 4.13Å; I313-A565 HydrophobicContact CD1-CB 4.46Å; P400-A565 HydrophobicContact CG-CB 4.43Å; K561-A565 PolarHBondContact O-N 3.41Å; K562-A565 PolarHBondContact O-N 2.53Å; Y563-A565 VanDerWaalsContact C-N 3.34Å; Y563-A565 PolarHBondContact O-N 3.23Å; A565-R568 PolarHBondContact O-N 3.31Å; A565-D569 PolarHBondContact O-N 3.14Å
566	Y	83.8	Confident	83.6	Confident	21 Å²	21	45.3 Å²	45.3	8%	0.082	24%	0.244	C	C	.	.	H	α-helix	trans	-62.5	-48.2	177.6	178.7	-99.7	0	0	0	112.9	L315 E320 M323 K562 Y563 I564 R568 D569 K570 L633	L315-Y566 HydrophobicContact CD2-CD2 3.49Å; L315-Y566 VanDerWaalsContact CD2-CD2 3.49Å; L315-Y566 HydrophobicContact CD2-CE2 3.72Å; L315-Y566 HydrophobicContact CD2-CG 4.31Å; E320-Y566 HydrophobicContact CG-CE2 3.89Å; E320-Y566 WeakPolarHBondContact CG-OH 3.45Å; M323-Y566 HydrophobicContact CB-CD1 4.23Å; M323-Y566 HydrophobicContact CB-CE1 4.31Å; K562-Y566 VanDerWaalsContact O-CB 3.27Å; K562-Y566 WeakPolarHBondContact O-CB 3.14Å; K562-Y566 PolarHBondContact O-N 3.09Å; Y563-Y566 WeakPolarHBondContact O-CB 3.38Å; Y563-Y566 PolarHBondContact O-N 2.73Å; I564-Y566 VanDerWaalsContact C-N 3.33Å; I564-Y566 PolarHBondContact O-N 2.72Å; Y566-R568 VanDerWaalsContact C-N 3.32Å; Y566-R568 PolarHBondContact O-N 3.43Å; Y566-D569 PolarHBondContact O-N 2.63Å; Y566-K570 HydrophobicContact CD2-CD 4.26Å; Y566-K570 HydrophobicContact CD2-CG 4.44Å; Y566-K570 HydrophobicContact CE1-CD 4.21Å; Y566-K570 HydrophobicContact CE2-CD 3.53Å; Y566-K570 HydrophobicContact CE2-CG 4.18Å; Y566-K570 VanDerWaalsContact CZ-CD 3.46Å; Y566-K570 PolarHBondContact O-N 3.04Å; Y566-K570 VanDerWaalsContact O-N 3.08Å; Y566-K570 WeakPolarHBondContact OH-CD 3.23Å; Y566-K570 PolarHBondContact OH-NZ 3.05Å; Y566-L633 HydrophobicContact CD1-CD1 4.44Å; Y566-L633 HydrophobicContact CD1-CD2 4.37Å; Y566-L633 HydrophobicContact CE1-CD1 3.82Å; Y566-L633 HydrophobicContact CE1-CD2 4.23Å
567	C	86	Confident	84.3	Confident	0 Å²	0	45.1 Å²	45.1	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-64.7	-36.5	179.6	-65.4	0	0	0	0	112	F359 Y563 I564 C571 K630 L633	F359-C567 HydrophobicContact CD1-CB 3.83Å; F359-C567 HydrophobicContact CE1-CB 3.87Å; Y563-C567 PolarHBondContact O-N 2.6Å; Y563-C567 PolarHBondContact O-SG 3.2Å; I564-C567 PolarHBondContact O-N 3.08Å; C567-C571 PolarHBondContact O-N 3.05Å; C567-K630 HydrophobicContact CB-CG 4.31Å; C567-K630 WeakPolarHBondContact O-CG 3.38Å; C567-L633 HydrophobicContact CB-CD2 4.04Å; C567-L633 VanDerWaalsContact SG-CD2 3.51Å
568	R	83.7	Confident	84.9	Confident	27 Å²	27	42.9 Å²	42.9	10%	0.102	24%	0.239	C	C	.	.	H	α-helix	trans	-66.1	-34.4	176.6	-77.7	178.4	173.2	-155.5	-3.4	113.3	L358 F359 G440 I564 A565 Y566	L358-R568 PolarHBondContact O-NE 2.84Å; L358-R568 PolarHBondContact O-NH2 2.94Å; F359-R568 WeakPolarHBondContact O-CG 3.5Å; G440-R568 PolarHBondContact O-NH1 2.77Å; I564-R568 HydrophobicContact CG2-CG 4.49Å; I564-R568 WeakPolarHBondContact O-CB 3.13Å; I564-R568 VanDerWaalsContact O-CG 3.32Å; I564-R568 WeakPolarHBondContact O-CG 3.27Å; I564-R568 PolarHBondContact O-N 3.3Å; A565-R568 PolarHBondContact O-N 3.31Å; Y566-R568 VanDerWaalsContact C-N 3.32Å; Y566-R568 PolarHBondContact O-N 3.43Å
569	D	77.6	Confident	85.5	Confident	84 Å²	84	39.2 Å²	39.2	45%	0.449	21%	0.214	S	C	.	.	H	α-helix	trans	-82.3	-43.7	-178	-168.9	42.3	0	0	0	112.5	R308 A565 Y566	R308-D569 VanDerWaalsContact CG-OD1 3.32Å; R308-D569 WeakPolarHBondContact CG-OD1 2.66Å; A565-D569 PolarHBondContact O-N 3.14Å; Y566-D569 PolarHBondContact O-N 2.63Å
570	K	81.5	Confident	86	Confident	96 Å²	96	39.3 Å²	39.3	42%	0.417	22%	0.219	S	C	.	.	H	α-helix	trans	-82.4	-33.6	-173.6	-68.2	-154	-179.4	177.1	0	115	E320 Y566	E320-K570 IonicContact OE1-NZ 2.65Å; E320-K570 PolarHBondContact OE1-NZ 2.95Å; E320-K570 IonicContact OE2-NZ 3.08Å; E320-K570 PolarHBondContact OE2-NZ 3.42Å; Y566-K570 HydrophobicContact CD2-CD 4.26Å; Y566-K570 HydrophobicContact CD2-CG 4.44Å; Y566-K570 HydrophobicContact CE1-CD 4.21Å; Y566-K570 HydrophobicContact CE2-CD 3.53Å; Y566-K570 HydrophobicContact CE2-CG 4.18Å; Y566-K570 VanDerWaalsContact CZ-CD 3.46Å; Y566-K570 PolarHBondContact O-N 3.04Å; Y566-K570 VanDerWaalsContact O-N 3.08Å; Y566-K570 WeakPolarHBondContact OH-CD 3.23Å; Y566-K570 PolarHBondContact OH-NZ 3.05Å
571	C	79.6	Confident	86.4	Confident	22 Å²	22	47.5 Å²	47.5	15%	0.149	25%	0.249	C	C	.	.			trans	-113	117.9	-167.4	-72.8	0	0	0	0	112.5	C567 P573 K630 L633	C567-C571 PolarHBondContact O-N 3.05Å; C571-P573 WeakPolarHBondContact O-CD 3.47Å; C571-K630 HydrophobicContact CB-CG 4Å; C571-K630 VanDerWaalsContact O-CE 3.28Å; C571-K630 WeakPolarHBondContact O-CE 3.4Å; C571-L633 HydrophobicContact CB-CD2 4.37Å; C571-L633 WeakPolarHBondContact SG-CD2 3.26Å
572	G	84.6	Confident	86.8	Confident	44 Å²	44	46.5 Å²	46.5	45%	0.454	25%	0.245	S	C	.	.			trans	-115.5	74.9	171.4	0	0	0	0	0	111.7
573	P	88.7	Confident	87.2	Confident	0 Å²	0	44 Å²	44	0%	0	23%	0.234	C	C	.	.			trans	-64.1	156.7	-168.2	22	-30.7	0	0	0	113.7	C571 E626 A629 K630 P635	C571-P573 WeakPolarHBondContact O-CD 3.47Å; P573-E626 HydrophobicContact CG-CB 4.04Å; P573-E626 HydrophobicContact CG-CG 4.43Å; P573-E626 WeakPolarHBondContact CG-O 3.42Å; P573-A629 HydrophobicContact CB-CB 3.94Å; P573-A629 HydrophobicContact CG-CB 4.3Å; P573-K630 HydrophobicContact CG-CB 4.07Å; P573-P635 VanDerWaalsContact CA-O 3.25Å; P573-P635 WeakPolarHBondContact CA-O 3.41Å
574	R	88	Confident	87.4	Confident	105 Å²	105	47.8 Å²	47.8	40%	0.396	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	153.7	175	-65.2	-68.9	179.2	-99.9	1.4	110	S362 P635 F636 A637	S362-R574 VanDerWaalsContact CB-NH1 3.31Å; S362-R574 PolarHBondContact OG-NH1 3.1Å; R574-P635 PolarHBondContact N-O 3.18Å; R574-F636 HydrophobicContact CB-CD1 4.46Å; R574-F636 CarbonylContact O-C 3.51Å; R574-F636 VanDerWaalsContact O-CA 3.23Å; R574-F636 WeakPolarHBondContact O-CA 3.39Å; R574-A637 PolarHBondContact O-N 3.05Å
575	L	89.1	Confident	87.6	Confident	43 Å²	43	55.3 Å²	55.3	23%	0.225	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75	139	177.3	-64.6	94.2	0	0	0	110.7	L583 I622 E626	L575-L583 HydrophobicContact CD2-CD1 3.24Å; L575-I622 HydrophobicContact CD1-CG2 3.57Å; L575-I622 HydrophobicContact CD2-CG1 4.09Å; L575-I622 HydrophobicContact CD2-CG2 4.38Å; L575-E626 HydrophobicContact CD1-CG 4.43Å
576	N	92	Very high	87.8	Confident	70 Å²	70	55.8 Å²	55.8	37%	0.374	29%	0.29	S	S	.	.			trans	-72.6	152.5	167.6	-166.2	-6.5	0	0	0	110.5	S578 A579 A580 A637	N576-S578 PolarHBondContact O-N 3.17Å; N576-A579 HydrophobicContact CB-CB 4.37Å; N576-A579 WeakPolarHBondContact O-CB 3.49Å; N576-A579 PolarHBondContact O-N 2.86Å; N576-A580 PolarHBondContact O-N 3.28Å; N576-A637 WeakPolarHBondContact CB-O 3.16Å; N576-A637 PolarHBondContact N-O 3.47Å
577	A	92.2	Very high	87.9	Confident	71 Å²	71	56.1 Å²	56.1	59%	0.587	29%	0.292	S	S	*	.	H	α-helix	trans	-59.7	-34.7	179.9	0	0	0	0	0	112.6	A580 R581	A577-A580 PolarHBondContact O-N 3.04Å; A577-R581 PolarHBondContact O-N 2.66Å; A577-R581 VanDerWaalsContact O-N 3.16Å
578	S	92.5	Very high	87.9	Confident	33 Å²	33	59.4 Å²	59.4	23%	0.231	31%	0.312	C	S	.	.	H	α-helix	trans	-68.5	-44.2	176.3	-146.4	0	0	0	0	112.3	N576 A580 R581 K582 E639	N576-S578 PolarHBondContact O-N 3.17Å; S578-A580 VanDerWaalsContact C-N 3.29Å; S578-A580 PolarHBondContact O-N 3.34Å; S578-R581 PolarHBondContact O-N 2.93Å; S578-R581 PolarHBondContact OG-NH2 2.89Å; S578-K582 PolarHBondContact O-N 2.85Å; S578-K582 VanDerWaalsContact O-N 3.08Å; S578-E639 WeakPolarHBondContact CB-OE1 3.41Å; S578-E639 PolarHBondContact OG-OE1 2.81Å
579	A	91.2	Very high	87.9	Confident	0 Å²	0	66.1 Å²	66.1	0%	0	34%	0.337	C	S	.	.	H	α-helix	trans	-59	-40.1	173.8	0	0	0	0	0	111.8	N576 K582 L583 V642	N576-A579 HydrophobicContact CB-CB 4.37Å; N576-A579 WeakPolarHBondContact O-CB 3.49Å; N576-A579 PolarHBondContact O-N 2.86Å; A579-K582 PolarHBondContact O-N 3.45Å; A579-L583 WeakPolarHBondContact O-CG 3.26Å; A579-L583 PolarHBondContact O-N 2.85Å; A579-V642 HydrophobicContact CB-CG2 3.88Å
580	A	91.5	Very high	87.9	Confident	42 Å²	42	62.9 Å²	62.9	35%	0.347	32%	0.319	S	S	.	.	H	α-helix	trans	-61.7	-46	176.1	0	0	0	0	0	112.6	N576 A577 S578 K582 L583 V584	N576-A580 PolarHBondContact O-N 3.28Å; A577-A580 PolarHBondContact O-N 3.04Å; S578-A580 VanDerWaalsContact C-N 3.29Å; S578-A580 PolarHBondContact O-N 3.34Å; A580-K582 VanDerWaalsContact C-N 3.32Å; A580-K582 PolarHBondContact O-N 2.95Å; A580-L583 PolarHBondContact O-N 2.88Å; A580-V584 WeakPolarHBondContact O-CG2 3.38Å; A580-V584 PolarHBondContact O-N 3.02Å
581	R	93	Very high	87.7	Confident	177 Å²	177	65.2 Å²	65.2	67%	0.668	33%	0.326	S	S	*	.	H	α-helix	trans	-60.2	-42.4	176.2	-71.1	-176.7	-65.3	168.8	3	111.8	A577 S578 V584 Y585	A577-R581 PolarHBondContact O-N 2.66Å; A577-R581 VanDerWaalsContact O-N 3.16Å; S578-R581 PolarHBondContact O-N 2.93Å; S578-R581 PolarHBondContact OG-NH2 2.89Å; R581-V584 PolarHBondContact O-N 2.88Å; R581-Y585 PolarHBondContact O-N 2.82Å; R581-Y585 VanDerWaalsContact O-N 3.08Å
582	K	91.3	Very high	87.4	Confident	60 Å²	60	68.2 Å²	68.2	26%	0.261	34%	0.34	S	S	.	.	H	α-helix	trans	-63	-44.3	177.5	-164.9	174.5	-162.1	172.3	0	112	S578 A579 A580 V584 Y585 S586 E639 D643	S578-K582 PolarHBondContact O-N 2.85Å; S578-K582 VanDerWaalsContact O-N 3.08Å; A579-K582 PolarHBondContact O-N 3.45Å; A580-K582 VanDerWaalsContact C-N 3.32Å; A580-K582 PolarHBondContact O-N 2.95Å; K582-V584 VanDerWaalsContact C-N 3.34Å; K582-V584 PolarHBondContact O-N 2.77Å; K582-Y585 PolarHBondContact O-N 2.84Å; K582-S586 WeakPolarHBondContact O-CB 3.32Å; K582-S586 PolarHBondContact O-N 2.94Å; K582-S586 PolarHBondContact O-OG 2.87Å; K582-E639 HydrophobicContact CD-CB 4.1Å; K582-E639 HydrophobicContact CD-CG 4.16Å; K582-E639 IonicContact NZ-OE2 3.44Å; K582-D643 WeakPolarHBondContact CE-OD1 3.34Å; K582-D643 IonicContact NZ-OD1 3.88Å; K582-D643 PolarHBondContact NZ-OD1 3.32Å; K582-D643 IonicContact NZ-OD2 4Å; K582-D643 PolarHBondContact NZ-OD2 2.96Å
583	L	91	Very high	86.4	Confident	7 Å²	7	69.5 Å²	69.5	4%	0.037	34%	0.339	C	S	.	.	H	α-helix	trans	-60.1	-42.8	176	-77.4	172	0	0	0	112.4	L575 A579 A580 S586 Y587 L618 I621 I622 V642	L575-L583 HydrophobicContact CD2-CD1 3.24Å; A579-L583 WeakPolarHBondContact O-CG 3.26Å; A579-L583 PolarHBondContact O-N 2.85Å; A580-L583 PolarHBondContact O-N 2.88Å; L583-S586 PolarHBondContact O-N 2.96Å; L583-Y587 VanDerWaalsContact O-CB 3.22Å; L583-Y587 WeakPolarHBondContact O-CB 3.3Å; L583-Y587 PolarHBondContact O-N 2.85Å; L583-L618 HydrophobicContact CB-CD1 4.31Å; L583-I621 HydrophobicContact CD2-CB 4.44Å; L583-I621 HydrophobicContact CD2-CG2 3.46Å; L583-I621 VanDerWaalsContact CD2-CG2 3.46Å; L583-I622 HydrophobicContact CD1-CG1 3.93Å; L583-V642 HydrophobicContact CD1-CG2 4.11Å; L583-V642 HydrophobicContact CD2-CB 4.42Å; L583-V642 HydrophobicContact CD2-CG1 3.45Å; L583-V642 VanDerWaalsContact CD2-CG1 3.45Å; L583-V642 HydrophobicContact CD2-CG2 4.2Å; L583-V642 HydrophobicContact CG-CG1 3.73Å; L583-V642 HydrophobicContact CG-CG2 4Å
584	V	90.6	Very high	84.8	Confident	89 Å²	89	72 Å²	72	54%	0.539	36%	0.355	S	S	.	.	H	α-helix	trans	-60.9	-49.3	177	172.2	0	0	0	0	110.7	A580 R581 K582 S586 Y587 V588	A580-V584 WeakPolarHBondContact O-CG2 3.38Å; A580-V584 PolarHBondContact O-N 3.02Å; R581-V584 PolarHBondContact O-N 2.88Å; K582-V584 VanDerWaalsContact C-N 3.34Å; K582-V584 PolarHBondContact O-N 2.77Å; V584-S586 PolarHBondContact O-N 2.86Å; V584-Y587 PolarHBondContact O-N 3.34Å; V584-V588 WeakPolarHBondContact O-CG2 2.97Å; V584-V588 PolarHBondContact O-N 3.04Å
585	Y	90.6	Very high	82.9	Confident	158 Å²	158	71.3 Å²	71.3	62%	0.62	36%	0.362	S	S	*	.	H	α-helix	trans	-59.8	-48	178.3	178	-96.7	0	0	0	111.8	R581 K582 Y587 V588 R589	R581-Y585 PolarHBondContact O-N 2.82Å; R581-Y585 VanDerWaalsContact O-N 3.08Å; K582-Y585 PolarHBondContact O-N 2.84Å; Y585-Y587 PolarHBondContact O-N 2.71Å; Y585-V588 PolarHBondContact O-N 2.87Å; Y585-R589 WeakPolarHBondContact O-CB 3.44Å; Y585-R589 PolarHBondContact O-N 3.42Å
586	S	85.6	Confident	80.8	Confident	23 Å²	23	73.4 Å²	73.4	16%	0.161	38%	0.381	C	S	.	.	H	α-helix	trans	-63	-40.4	178.9	-67.1	0	0	0	0	112.4	K582 L583 V584 R589 M590 L646	K582-S586 WeakPolarHBondContact O-CB 3.32Å; K582-S586 PolarHBondContact O-N 2.94Å; K582-S586 PolarHBondContact O-OG 2.87Å; L583-S586 PolarHBondContact O-N 2.96Å; V584-S586 PolarHBondContact O-N 2.86Å; S586-R589 PolarHBondContact O-N 3.04Å; S586-M590 WeakPolarHBondContact O-CB 3.21Å; S586-M590 VanDerWaalsContact O-CG 3.29Å; S586-M590 WeakPolarHBondContact O-CG 3.39Å; S586-M590 PolarHBondContact O-N 3.4Å; S586-L646 WeakPolarHBondContact OG-CD1 3.25Å
587	Y	85.8	Confident	78.7	Confident	27 Å²	27	78.1 Å²	78.1	11%	0.106	40%	0.4	C	S	.	.	H	α-helix	trans	-64.9	-45.1	176.6	176.8	-105	0	0	0	112.7	L583 V584 Y585 R589 M590 R591 I613 V615 L618	L583-Y587 VanDerWaalsContact O-CB 3.22Å; L583-Y587 WeakPolarHBondContact O-CB 3.3Å; L583-Y587 PolarHBondContact O-N 2.85Å; V584-Y587 PolarHBondContact O-N 3.34Å; Y585-Y587 PolarHBondContact O-N 2.71Å; Y587-R589 VanDerWaalsContact C-N 3.31Å; Y587-R589 PolarHBondContact O-N 2.89Å; Y587-M590 PolarHBondContact O-N 3.17Å; Y587-R591 WeakPolarHBondContact O-CB 3.27Å; Y587-R591 PolarHBondContact O-N 2.48Å; Y587-I613 HydrophobicContact CD2-CG2 4.24Å; Y587-I613 HydrophobicContact CE2-CG2 3.73Å; Y587-V615 PolarHBondContact OH-N 3.14Å; Y587-L618 HydrophobicContact CD1-CD2 4.4Å; Y587-L618 HydrophobicContact CD2-CB 3.9Å; Y587-L618 HydrophobicContact CD2-CD1 4.41Å; Y587-L618 HydrophobicContact CE2-CB 4.03Å; Y587-L618 HydrophobicContact CG-CB 4.46Å; Y587-L618 HydrophobicContact CG-CD1 4.33Å; Y587-L618 HydrophobicContact CG-CD2 4.31Å
588	V	86.3	Confident	76.4	Confident	70 Å²	70	81.4 Å²	81.4	42%	0.424	40%	0.404	S	S	.	.	H	α-helix	trans	-61.1	-43.3	174.5	171.8	0	0	0	0	110.4	V584 Y585 R591 N592	V584-V588 WeakPolarHBondContact O-CG2 2.97Å; V584-V588 PolarHBondContact O-N 3.04Å; Y585-V588 PolarHBondContact O-N 2.87Å; V588-R591 PolarHBondContact O-N 2.75Å; V588-N592 WeakPolarHBondContact CG1-ND2 3.48Å; V588-N592 WeakPolarHBondContact O-CB 3.46Å; V588-N592 PolarHBondContact O-N 2.97Å; V588-N592 PolarHBondContact O-ND2 2.8Å
589	R	83.4	Confident	74	Confident	167 Å²	167	91.1 Å²	91.1	63%	0.63	44%	0.435	S	S	*	.	H	α-helix	trans	-59.1	-51.8	176.1	-174.8	177	177.6	-177.1	-0.8	111.1	Y585 S586 Y587 R591 N592 V593	Y585-R589 WeakPolarHBondContact O-CB 3.44Å; Y585-R589 PolarHBondContact O-N 3.42Å; S586-R589 PolarHBondContact O-N 3.04Å; Y587-R589 VanDerWaalsContact C-N 3.31Å; Y587-R589 PolarHBondContact O-N 2.89Å; R589-R591 VanDerWaalsContact C-N 3.32Å; R589-R591 PolarHBondContact O-N 3.31Å; R589-N592 PolarHBondContact O-N 3.02Å; R589-N592 VanDerWaalsContact O-N 3.13Å; R589-V593 WeakPolarHBondContact O-CG2 3.32Å; R589-V593 PolarHBondContact O-N 2.61Å
590	M	78	Confident	71.5	Confident	16 Å²	16	94.3 Å²	94.3	8%	0.079	47%	0.468	C	S	.	.	H	α-helix	trans	-57.4	-43.6	179.5	-72.9	-174	-64.7	0	0	111.9	S586 Y587 N592 V593 P594 I613 I621 L646 F649	S586-M590 WeakPolarHBondContact O-CB 3.21Å; S586-M590 VanDerWaalsContact O-CG 3.29Å; S586-M590 WeakPolarHBondContact O-CG 3.39Å; S586-M590 PolarHBondContact O-N 3.4Å; Y587-M590 PolarHBondContact O-N 3.17Å; M590-N592 VanDerWaalsContact C-N 3.33Å; M590-N592 PolarHBondContact O-N 2.65Å; M590-V593 PolarHBondContact O-N 3.18Å; M590-P594 WeakPolarHBondContact O-CD 3.37Å; M590-I613 VanDerWaalsContact C-CD1 3.45Å; M590-I613 HydrophobicContact CB-CD1 3.97Å; M590-I613 WeakPolarHBondContact O-CD1 3.42Å; M590-I621 HydrophobicContact CE-CD1 3.82Å; M590-L646 HydrophobicContact CE-CD2 3.94Å; M590-L646 HydrophobicContact SD-CD2 4.39Å; M590-F649 HydrophobicContact CE-CE1 4.38Å; M590-F649 HydrophobicContact SD-CD1 3.88Å; M590-F649 HydrophobicContact SD-CE1 3.83Å
591	R	77	Confident	69.1	Low	146 Å²	146	100.6 Å²	100.6	55%	0.551	49%	0.49	S	S	*	.	H	α-helix	trans	-68.9	-28.8	178.6	-169	174.1	-179.5	-178.5	1	113.5	Y587 V588 R589 P594 I613	Y587-R591 WeakPolarHBondContact O-CB 3.27Å; Y587-R591 PolarHBondContact O-N 2.48Å; V588-R591 PolarHBondContact O-N 2.75Å; R589-R591 VanDerWaalsContact C-N 3.32Å; R589-R591 PolarHBondContact O-N 3.31Å; R591-P594 WeakPolarHBondContact O-CD 3.35Å; R591-P594 VanDerWaalsContact O-CG 3.32Å; R591-P594 WeakPolarHBondContact O-CG 3.41Å; R591-I613 HydrophobicContact CB-CG2 4.38Å
592	N	73.6	Confident	66.4	Low	85 Å²	85	99.2 Å²	99.2	46%	0.455	50%	0.496	S	S	.	.	H	α-helix	trans	-85.8	-20.2	179.5	-71	-16.5	0	0	0	113.8	V588 R589 M590 P594 V595 S596	V588-N592 WeakPolarHBondContact CG1-ND2 3.48Å; V588-N592 WeakPolarHBondContact O-CB 3.46Å; V588-N592 PolarHBondContact O-N 2.97Å; V588-N592 PolarHBondContact O-ND2 2.8Å; R589-N592 PolarHBondContact O-N 3.02Å; R589-N592 VanDerWaalsContact O-N 3.13Å; M590-N592 VanDerWaalsContact C-N 3.33Å; M590-N592 PolarHBondContact O-N 2.65Å; N592-P594 VanDerWaalsContact C-CD 3.5Å; N592-P594 VanDerWaalsContact C-N 3.34Å; N592-V595 PolarHBondContact O-N 3.41Å; N592-S596 PolarHBondContact O-N 3.45Å; N592-S596 VanDerWaalsContact O-N 3.15Å
593	V	62.6	Low	63.6	Low	70 Å²	70	105.6 Å²	105.6	42%	0.424	53%	0.526	S	S	.	.	H	α-helix	trans	-49.3	-45.7	176.1	-179.8	0	0	0	0	113.3	R589 M590 V595	R589-V593 WeakPolarHBondContact O-CG2 3.32Å; R589-V593 PolarHBondContact O-N 2.61Å; M590-V593 PolarHBondContact O-N 3.18Å; V593-V595 PolarHBondContact O-N 2.67Å
594	P	55.4	Low	61.2	Low	52 Å²	52	113.2 Å²	113.2	34%	0.338	57%	0.565	S	S	.	*	H	α-helix	trans	-63.6	-24.3	177.9	21.5	-32.2	0	0	0	113.1	M590 R591 N592 Q598	M590-P594 WeakPolarHBondContact O-CD 3.37Å; R591-P594 WeakPolarHBondContact O-CD 3.35Å; R591-P594 VanDerWaalsContact O-CG 3.32Å; R591-P594 WeakPolarHBondContact O-CG 3.41Å; N592-P594 VanDerWaalsContact C-CD 3.5Å; N592-P594 VanDerWaalsContact C-N 3.34Å; P594-Q598 WeakPolarHBondContact O-CG 3.46Å; P594-Q598 PolarHBondContact O-NE2 3.43Å; P594-Q598 PolarHBondContact O-OE1 2.92Å; P594-Q598 VanDerWaalsContact O-OE1 3.08Å
595	V	48.4	Very low	58.5	Low	91 Å²	91	113 Å²	113	55%	0.552	57%	0.572	S	S	*	*	H	α-helix	trans	-89.7	-29.7	-174.4	-173.2	0	0	0	0	112.4	N592 V593	N592-V595 PolarHBondContact O-N 3.41Å; V593-V595 PolarHBondContact O-N 2.67Å
596	S	45.6	Very low	56	Low	87 Å²	87	116.5 Å²	116.5	61%	0.608	59%	0.586	S	S	*	*	H	α-helix	trans	-83.3	-32.4	-174.4	56.4	0	0	0	0	114.4	N592 Q598	N592-S596 PolarHBondContact O-N 3.45Å; N592-S596 VanDerWaalsContact O-N 3.15Å; S596-Q598 PolarHBondContact O-N 3.14Å
597	Q	48.2	Very low	54	Low	169 Å²	169	123.5 Å²	123.5	79%	0.79	61%	0.614	S	S	*	*	G	3₁₀ helix	trans	-69.5	-17.6	170.7	-81.4	-179	-14.1	0	0	112.7
598	Q	43	Very low	52.3	Low	140 Å²	140	130.6 Å²	130.6	65%	0.654	65%	0.645	S	S	*	*	G	3₁₀ helix	trans	-90.3	-7.7	-174.3	-73.5	177.4	-4.9	0	0	114.8	P594 S596	P594-Q598 WeakPolarHBondContact O-CG 3.46Å; P594-Q598 PolarHBondContact O-NE2 3.43Å; P594-Q598 PolarHBondContact O-OE1 2.92Å; P594-Q598 VanDerWaalsContact O-OE1 3.08Å; S596-Q598 PolarHBondContact O-N 3.14Å
599	R	41.4	Very low	50.7	Low	237 Å²	237	130.5 Å²	130.5	89%	0.894	65%	0.647	S	S	*	*	G	3₁₀ helix	trans	-86.5	-5.3	-176.7	-120.4	179.3	-178	174.9	0	114.7
600	G	39.8	Very low	49.5	Very low	67 Å²	67	124.7 Å²	124.7	69%	0.691	63%	0.632	S	S	*	*	S	Bend	trans	-106.7	-19.6	-170.3	0	0	0	0	0	117.4
601	E	40.4	Very low	48.8	Very low	174 Å²	174	125.1 Å²	125.1	81%	0.813	63%	0.634	S	S	*	*	S	Bend	trans	-137.9	130.3	-173.2	-69	-177.3	169	0	0	112
602	L	36.1	Very low	48.4	Very low	149 Å²	149	122 Å²	122	78%	0.78	63%	0.633	S	S	*	*			trans	-55.3	137	-170.3	-74.8	88.6	0	0	0	114.5	I604	L602-I604 PolarHBondContact O-N 3.46Å; L602-I604 VanDerWaalsContact O-N 3.11Å
603	H	33	Very low	48.5	Very low	194 Å²	194	119.8 Å²	119.8	90%	0.898	62%	0.621	S	S	*	*			trans	46.4	44.8	143	-79.5	-79.9	0	0	0	119.3
604	I	39.8	Very low	49.5	Very low	166 Å²	166	118.4 Å²	118.4	85%	0.851	61%	0.613	S	S	*	*			trans	-110.1	121.2	167.1	-57.6	175.1	0	0	0	109.7	L602	L602-I604 PolarHBondContact O-N 3.46Å; L602-I604 VanDerWaalsContact O-N 3.11Å
605	A	35.2	Very low	50.9	Low	84 Å²	84	120.2 Å²	120.2	69%	0.694	62%	0.623	S	S	*	*			trans	-27	137.5	-173	0	0	0	0	0	117.1	K607	A605-K607 PolarHBondContact O-N 2.8Å
606	Y	37.1	Very low	52.7	Low	232 Å²	232	119.7 Å²	119.7	91%	0.91	61%	0.611	S	S	*	*			trans	-44.4	77.6	162.3	-75.9	-95	0	0	0	113	K608	Y606-K608 PolarHBondContact O-N 3.01Å
607	K	44.5	Very low	54.6	Low	171 Å²	171	116.3 Å²	116.3	74%	0.743	59%	0.586	S	S	*	*			trans	-89.1	95.4	158.5	-83.2	-167.9	172.6	-169	0	106.9	A605 S609	A605-K607 PolarHBondContact O-N 2.8Å; K607-S609 PolarHBondContact O-N 2.91Å
608	K	50.2	Low	56.6	Low	176 Å²	176	109.9 Å²	109.9	77%	0.765	56%	0.556	S	S	*	*			trans	-46.9	122.2	172.3	-66.6	173.6	179.4	176	0	107.5	Y606 S610	Y606-K608 PolarHBondContact O-N 3.01Å; K608-S610 PolarHBondContact O-N 3.45Å; K608-S610 VanDerWaalsContact O-N 3.15Å
609	S	52.5	Low	58.7	Low	67 Å²	67	106 Å²	106	47%	0.469	54%	0.538	S	S	.	.			trans	-50.5	125.2	163.7	53.7	0	0	0	0	107.8	K607 I611	K607-S609 PolarHBondContact O-N 2.91Å; S609-I611 PolarHBondContact O-N 3.17Å
610	S	57.1	Low	61	Low	45 Å²	45	94.7 Å²	94.7	32%	0.315	50%	0.496	S	S	.	.	S	Bend	trans	-59	-19.7	-168.2	56.3	0	0	0	0	114.2	K608	K608-S610 PolarHBondContact O-N 3.45Å; K608-S610 VanDerWaalsContact O-N 3.15Å
611	I	64.7	Low	63.5	Low	25 Å²	25	91.6 Å²	91.6	13%	0.128	46%	0.463	C	S	.	.	S	Bend	trans	-127.4	108.6	-179.6	-53.2	172.8	0	0	0	109.9	S609 A656	S609-I611 PolarHBondContact O-N 3.17Å; I611-A656 HydrophobicContact CD1-CB 4.47Å
612	P	68.1	Low	66	Low	81 Å²	81	85.1 Å²	85.1	53%	0.526	43%	0.434	S	S	.	.			trans	-70	138.7	174.8	28.3	-33	0	0	0	111	T614	P612-T614 HydrophobicContact CG-CG2 4.38Å; P612-T614 PolarHBondContact O-N 3.11Å
613	I	75.8	Confident	68.6	Low	38 Å²	38	78.8 Å²	78.8	20%	0.195	40%	0.399	C	S	.	.			trans	-75	112.2	173.7	-65.7	163.5	0	0	0	109.2	Y587 M590 R591	Y587-I613 HydrophobicContact CD2-CG2 4.24Å; Y587-I613 HydrophobicContact CE2-CG2 3.73Å; M590-I613 VanDerWaalsContact C-CD1 3.45Å; M590-I613 HydrophobicContact CB-CD1 3.97Å; M590-I613 WeakPolarHBondContact O-CD1 3.42Å; R591-I613 HydrophobicContact CB-CG2 4.38Å
614	T	82.3	Confident	71.4	Confident	42 Å²	42	69.6 Å²	69.6	26%	0.258	36%	0.357	S	S	.	.			trans	-114.4	166.9	-176.3	64.4	0	0	0	0	111.7	P612 R616 Q617	P612-T614 HydrophobicContact CG-CG2 4.38Å; P612-T614 PolarHBondContact O-N 3.11Å; T614-R616 PolarHBondContact O-N 3.04Å; T614-R616 VanDerWaalsContact O-N 3.17Å; T614-Q617 WeakPolarHBondContact O-CB 3.34Å; T614-Q617 PolarHBondContact O-N 3.24Å
615	V	86	Confident	74	Confident	90 Å²	90	61.7 Å²	61.7	55%	0.545	32%	0.317	S	S	.	.	H	α-helix	trans	-58.1	-28	174.5	-178.4	0	0	0	0	111.9	Y587 Q617 L618 E619	Y587-V615 PolarHBondContact OH-N 3.14Å; V615-Q617 VanDerWaalsContact C-N 3.25Å; V615-Q617 PolarHBondContact O-N 3.01Å; V615-L618 WeakPolarHBondContact O-CB 2.95Å; V615-L618 PolarHBondContact O-N 3.04Å; V615-L618 VanDerWaalsContact O-N 3.09Å; V615-E619 PolarHBondContact O-N 2.59Å
616	R	85.7	Confident	76.8	Confident	79 Å²	79	57.8 Å²	57.8	30%	0.298	28%	0.284	S	S	.	.	H	α-helix	trans	-59.9	-35.5	175.9	-70.8	-175.2	174	142.1	0.1	112.8	E464 T614 L618 E619 A620	E464-R616 VanDerWaalsContact CD-NH2 3.27Å; E464-R616 IonicContact OE1-CZ 3.47Å; E464-R616 IonicContact OE1-NE 3.73Å; E464-R616 PolarHBondContact OE1-NE 3.14Å; E464-R616 IonicContact OE1-NH2 3.66Å; E464-R616 PolarHBondContact OE1-NH2 3.14Å; E464-R616 IonicContact OE2-CZ 3.5Å; E464-R616 IonicContact OE2-NE 3.16Å; E464-R616 IonicContact OE2-NH2 2.93Å; E464-R616 PolarHBondContact OE2-NH2 2.98Å; E464-R616 VanDerWaalsContact OE2-NH2 3.14Å; T614-R616 PolarHBondContact O-N 3.04Å; T614-R616 VanDerWaalsContact O-N 3.17Å; R616-L618 VanDerWaalsContact C-N 3.35Å; R616-E619 PolarHBondContact O-N 2.88Å; R616-A620 WeakPolarHBondContact O-CB 3.26Å; R616-A620 PolarHBondContact O-N 3.21Å
617	Q	86.1	Confident	79.4	Confident	17 Å²	17	46.8 Å²	46.8	8%	0.079	24%	0.241	C	C	.	.	H	α-helix	trans	-69.9	-34.9	176.9	-67.1	176.9	-12.4	0	0	111.7	T614 V615 A620 I621 F649	T614-Q617 WeakPolarHBondContact O-CB 3.34Å; T614-Q617 PolarHBondContact O-N 3.24Å; V615-Q617 VanDerWaalsContact C-N 3.25Å; V615-Q617 PolarHBondContact O-N 3.01Å; Q617-A620 WeakPolarHBondContact O-CB 3.3Å; Q617-A620 PolarHBondContact O-N 2.93Å; Q617-I621 WeakPolarHBondContact O-CD1 3.28Å; Q617-I621 VanDerWaalsContact O-CG1 3.29Å; Q617-I621 WeakPolarHBondContact O-CG1 3.15Å; Q617-I621 PolarHBondContact O-N 3.47Å; Q617-F649 HydrophobicContact CB-CE2 3.88Å; Q617-F649 HydrophobicContact CB-CZ 3.65Å; Q617-F649 HydrophobicContact CG-CE2 4.02Å; Q617-F649 HydrophobicContact CG-CZ 3.81Å
618	L	89.1	Confident	81.7	Confident	33 Å²	33	39 Å²	39	17%	0.173	21%	0.207	C	C	.	.	H	α-helix	trans	-63.9	-44.2	171	-179.4	61.4	0	0	0	110.8	L583 Y587 V615 R616 A620 I621 I622	L583-L618 HydrophobicContact CB-CD1 4.31Å; Y587-L618 HydrophobicContact CD1-CD2 4.4Å; Y587-L618 HydrophobicContact CD2-CB 3.9Å; Y587-L618 HydrophobicContact CD2-CD1 4.41Å; Y587-L618 HydrophobicContact CE2-CB 4.03Å; Y587-L618 HydrophobicContact CG-CB 4.46Å; Y587-L618 HydrophobicContact CG-CD1 4.33Å; Y587-L618 HydrophobicContact CG-CD2 4.31Å; V615-L618 WeakPolarHBondContact O-CB 2.95Å; V615-L618 PolarHBondContact O-N 3.04Å; V615-L618 VanDerWaalsContact O-N 3.09Å; R616-L618 VanDerWaalsContact C-N 3.35Å; L618-A620 VanDerWaalsContact C-N 3.27Å; L618-A620 PolarHBondContact O-N 3.3Å; L618-I621 PolarHBondContact O-N 3.11Å; L618-I622 HydrophobicContact CG-CD1 4.16Å; L618-I622 VanDerWaalsContact O-CG1 3.29Å; L618-I622 WeakPolarHBondContact O-CG1 3.36Å; L618-I622 PolarHBondContact O-N 2.93Å
619	E	88.6	Confident	83.7	Confident	58 Å²	58	30.6 Å²	30.6	27%	0.271	17%	0.171	S	C	.	.	H	α-helix	trans	-62.5	-33.8	174.8	-68.2	-175.6	153.1	0	0	112.6	R372 V615 R616 R623	R372-E619 IonicContact CZ-OE1 2.67Å; R372-E619 IonicContact NH1-OE1 3.04Å; R372-E619 PolarHBondContact NH1-OE1 2.63Å; V615-E619 PolarHBondContact O-N 2.59Å; R616-E619 PolarHBondContact O-N 2.88Å; E619-R623 WeakPolarHBondContact O-CG 3.09Å; E619-R623 PolarHBondContact O-N 3.16Å; E619-R623 PolarHBondContact O-NE 3.41Å; E619-R623 VanDerWaalsContact O-NE 3.12Å
620	A	89.1	Confident	85.5	Confident	1 Å²	1	28 Å²	28	1%	0.008	15%	0.151	C	C	.	.	H	α-helix	trans	-63.9	-49.2	173.7	0	0	0	0	0	111.9	D516 R616 Q617 L618 I622 R623 M624	D516-A620 HydrophobicContact CB-CB 3.59Å; D516-A620 WeakPolarHBondContact OD1-CB 3.37Å; R616-A620 WeakPolarHBondContact O-CB 3.26Å; R616-A620 PolarHBondContact O-N 3.21Å; Q617-A620 WeakPolarHBondContact O-CB 3.3Å; Q617-A620 PolarHBondContact O-N 2.93Å; L618-A620 VanDerWaalsContact C-N 3.27Å; L618-A620 PolarHBondContact O-N 3.3Å; A620-I622 VanDerWaalsContact C-N 3.29Å; A620-I622 PolarHBondContact O-N 3.28Å; A620-R623 PolarHBondContact O-N 3.43Å; A620-R623 VanDerWaalsContact O-N 3.15Å; A620-M624 PolarHBondContact O-N 2.76Å
621	I	91.8	Very high	87.1	Confident	1 Å²	1	25.9 Å²	25.9	1%	0.005	14%	0.136	C	C	.	.	H	α-helix	trans	-62.4	-39.6	178.2	-63	158.8	0	0	0	110.7	L583 M590 Q617 L618 M624 S625 A645 L646 F649	L583-I621 HydrophobicContact CD2-CB 4.44Å; L583-I621 HydrophobicContact CD2-CG2 3.46Å; L583-I621 VanDerWaalsContact CD2-CG2 3.46Å; M590-I621 HydrophobicContact CE-CD1 3.82Å; Q617-I621 WeakPolarHBondContact O-CD1 3.28Å; Q617-I621 VanDerWaalsContact O-CG1 3.29Å; Q617-I621 WeakPolarHBondContact O-CG1 3.15Å; Q617-I621 PolarHBondContact O-N 3.47Å; L618-I621 PolarHBondContact O-N 3.11Å; I621-M624 HydrophobicContact CG1-CE 4.19Å; I621-M624 PolarHBondContact O-N 2.88Å; I621-S625 WeakPolarHBondContact O-CB 3.36Å; I621-S625 PolarHBondContact O-N 2.99Å; I621-S625 PolarHBondContact O-OG 2.86Å; I621-A645 HydrophobicContact CG2-CB 4.17Å; I621-L646 HydrophobicContact CD1-CD2 3.9Å; I621-L646 HydrophobicContact CG2-CD2 4.18Å; I621-L646 HydrophobicContact CG2-CG 4.31Å; I621-F649 HydrophobicContact CD1-CB 4.47Å; I621-F649 HydrophobicContact CD1-CD1 3.94Å; I621-F649 HydrophobicContact CD1-CD2 4.25Å; I621-F649 HydrophobicContact CD1-CE1 4.25Å; I621-F649 HydrophobicContact CD1-CG 3.94Å; I621-F649 HydrophobicContact CG1-CB 4.09Å; I621-F649 HydrophobicContact CG1-CD1 4.37Å; I621-F649 HydrophobicContact CG1-CD2 3.92Å; I621-F649 HydrophobicContact CG1-CE2 4.5Å; I621-F649 HydrophobicContact CG1-CG 3.85Å
622	I	92.6	Very high	88.3	Confident	39 Å²	39	27.5 Å²	27.5	20%	0.2	14%	0.143	C	C	.	.	H	α-helix	trans	-58.4	-48.4	174.1	-73.6	167.3	0	0	0	110.7	L575 L583 L618 A620 S625 E626	L575-I622 HydrophobicContact CD1-CG2 3.57Å; L575-I622 HydrophobicContact CD2-CG1 4.09Å; L575-I622 HydrophobicContact CD2-CG2 4.38Å; L583-I622 HydrophobicContact CD1-CG1 3.93Å; L618-I622 HydrophobicContact CG-CD1 4.16Å; L618-I622 VanDerWaalsContact O-CG1 3.29Å; L618-I622 WeakPolarHBondContact O-CG1 3.36Å; L618-I622 PolarHBondContact O-N 2.93Å; A620-I622 VanDerWaalsContact C-N 3.29Å; A620-I622 PolarHBondContact O-N 3.28Å; I622-S625 PolarHBondContact O-N 2.87Å; I622-E626 WeakPolarHBondContact O-CG 3.36Å; I622-E626 PolarHBondContact O-N 2.9Å
623	R	91.9	Very high	89.3	Confident	15 Å²	15	25.2 Å²	25.2	6%	0.057	13%	0.127	C	C	.	.	H	α-helix	trans	-64.4	-40.8	178.9	-77	176.5	-83.4	139	4	112.7	R373 D375 I376 D516 E619 A620 E626 A627	R373-R623 WeakPolarHBondContact O-CD 3.49Å; D375-R623 PolarHBondContact O-NH1 3.01Å; I376-R623 HydrophobicContact CD1-CB 4.38Å; I376-R623 HydrophobicContact CG1-CB 3.91Å; D516-R623 IonicContact OD1-CZ 2.65Å; D516-R623 VanDerWaalsContact OD1-CZ 3.23Å; D516-R623 IonicContact OD1-NH1 2.75Å; D516-R623 PolarHBondContact OD1-NH1 3.28Å; D516-R623 IonicContact OD1-NH2 3.44Å; D516-R623 PolarHBondContact OD1-NH2 3.27Å; D516-R623 IonicContact OD2-CZ 2.96Å; D516-R623 IonicContact OD2-NH1 3.71Å; D516-R623 PolarHBondContact OD2-NH1 2.79Å; D516-R623 IonicContact OD2-NH2 2.71Å; E619-R623 WeakPolarHBondContact O-CG 3.09Å; E619-R623 PolarHBondContact O-N 3.16Å; E619-R623 PolarHBondContact O-NE 3.41Å; E619-R623 VanDerWaalsContact O-NE 3.12Å; A620-R623 PolarHBondContact O-N 3.43Å; A620-R623 VanDerWaalsContact O-N 3.15Å; R623-E626 PolarHBondContact O-N 3.41Å; R623-A627 WeakPolarHBondContact O-CB 2.92Å; R623-A627 PolarHBondContact O-N 3.37Å
624	M	92.1	Very high	89.9	Confident	2 Å²	2	26.3 Å²	26.3	1%	0.01	13%	0.131	C	C	.	.	H	α-helix	trans	-62.8	-41.7	174.2	-72	-170.8	-71.5	0	0	111.9	I376 A620 I621 E626 A627 L628 A645 F649	I376-M624 HydrophobicContact CD1-CG 4.1Å; I376-M624 HydrophobicContact CG2-CG 4.44Å; A620-M624 PolarHBondContact O-N 2.76Å; I621-M624 HydrophobicContact CG1-CE 4.19Å; I621-M624 PolarHBondContact O-N 2.88Å; M624-E626 VanDerWaalsContact C-N 3.33Å; M624-E626 PolarHBondContact O-N 2.84Å; M624-A627 PolarHBondContact O-N 3.43Å; M624-L628 WeakPolarHBondContact O-CG 3.47Å; M624-L628 PolarHBondContact O-N 3.43Å; M624-A645 HydrophobicContact CB-CB 3.95Å; M624-F649 HydrophobicContact CE-CB 4.12Å; M624-F649 HydrophobicContact CE-CD2 4.2Å
625	S	93.6	Very high	90.3	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-63.4	-40.4	176.2	-53.5	0	0	0	0	111.5	I621 I622 L628 A629	I621-S625 WeakPolarHBondContact O-CB 3.36Å; I621-S625 PolarHBondContact O-N 2.99Å; I621-S625 PolarHBondContact O-OG 2.86Å; I622-S625 PolarHBondContact O-N 2.87Å; S625-L628 PolarHBondContact O-N 2.92Å; S625-A629 PolarHBondContact O-N 3.42Å
626	E	92.9	Very high	90.6	Very high	2 Å²	2	29.5 Å²	29.5	1%	0.009	14%	0.142	C	C	.	.	H	α-helix	trans	-65.4	-39.3	173.6	-75.5	178.1	-174	0	0	112.3	S362 K364 P573 L575 I622 R623 M624 A629 K630	S362-E626 WeakPolarHBondContact CB-OE2 3.33Å; S362-E626 PolarHBondContact N-OE2 3.34Å; K364-E626 WeakPolarHBondContact CE-OE1 3.3Å; K364-E626 IonicContact NZ-OE1 3.79Å; K364-E626 PolarHBondContact NZ-OE1 3.29Å; P573-E626 HydrophobicContact CG-CB 4.04Å; P573-E626 HydrophobicContact CG-CG 4.43Å; P573-E626 WeakPolarHBondContact CG-O 3.42Å; L575-E626 HydrophobicContact CD1-CG 4.43Å; I622-E626 WeakPolarHBondContact O-CG 3.36Å; I622-E626 PolarHBondContact O-N 2.9Å; R623-E626 PolarHBondContact O-N 3.41Å; M624-E626 VanDerWaalsContact C-N 3.33Å; M624-E626 PolarHBondContact O-N 2.84Å; E626-A629 PolarHBondContact O-N 2.97Å; E626-K630 VanDerWaalsContact O-CB 3.31Å; E626-K630 WeakPolarHBondContact O-CB 3.22Å; E626-K630 PolarHBondContact O-N 3.4Å
627	A	92.2	Very high	90.8	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-65.2	-40.5	176.9	0	0	0	0	0	112.1	C356 I376 R623 M624 K630 L631	C356-A627 HydrophobicContact CB-CB 4.08Å; C356-A627 WeakPolarHBondContact O-CB 3Å; I376-A627 HydrophobicContact CD1-CB 3.72Å; R623-A627 WeakPolarHBondContact O-CB 2.92Å; R623-A627 PolarHBondContact O-N 3.37Å; M624-A627 PolarHBondContact O-N 3.43Å; A627-K630 WeakPolarHBondContact O-CB 3.5Å; A627-K630 PolarHBondContact O-N 2.9Å; A627-L631 PolarHBondContact O-N 3.32Å
628	L	93.2	Very high	91.1	Very high	8 Å²	8	27.8 Å²	27.8	4%	0.042	14%	0.14	C	C	.	.	H	α-helix	trans	-63.5	-45.1	174.1	-71.1	171.7	0	0	0	111.8	Y333 M624 S625 K630 L631 E632 H641 E644 A645	Y333-L628 HydrophobicContact CD2-CD2 3.82Å; Y333-L628 HydrophobicContact CE2-CD2 3.38Å; M624-L628 WeakPolarHBondContact O-CG 3.47Å; M624-L628 PolarHBondContact O-N 3.43Å; S625-L628 PolarHBondContact O-N 2.92Å; L628-K630 VanDerWaalsContact C-N 3.28Å; L628-K630 PolarHBondContact O-N 3.41Å; L628-L631 WeakPolarHBondContact O-CB 3.26Å; L628-L631 PolarHBondContact O-N 3.21Å; L628-E632 PolarHBondContact O-N 3.29Å; L628-H641 HydrophobicContact CB-CB 4.11Å; L628-H641 HydrophobicContact CD1-CB 4.4Å; L628-H641 WeakPolarHBondContact CD1-O 3.4Å; L628-E644 HydrophobicContact CD1-CB 4.11Å; L628-E644 HydrophobicContact CD1-CG 4.1Å; L628-A645 HydrophobicContact CD1-CB 4.3Å
629	A	92	Very high	91.3	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-62.4	-37.6	175.3	0	0	0	0	0	112	P573 S625 E626 L631 E632 L633 Q634 A637	P573-A629 HydrophobicContact CB-CB 3.94Å; P573-A629 HydrophobicContact CG-CB 4.3Å; S625-A629 PolarHBondContact O-N 3.42Å; E626-A629 PolarHBondContact O-N 2.97Å; A629-L631 VanDerWaalsContact C-N 3.34Å; A629-E632 PolarHBondContact O-N 3.33Å; A629-L633 PolarHBondContact O-N 2.89Å; A629-Q634 PolarHBondContact O-N 3.3Å; A629-A637 HydrophobicContact CB-CB 3.93Å
630	K	91.3	Very high	91.5	Very high	11 Å²	11	37 Å²	37	5%	0.048	17%	0.173	C	C	.	.	H	α-helix	trans	-66.5	-35.6	176.8	-166.8	-173.9	-70.8	173.5	0	112.3	F359 G360 G361 C567 C571 P573 E626 A627 L628 E632 L633	F359-K630 HydrophobicContact CB-CD 4.35Å; F359-K630 PolarHBondContact O-NZ 3.39Å; G360-K630 VanDerWaalsContact O-CE 3.29Å; G360-K630 WeakPolarHBondContact O-CE 3.13Å; G360-K630 PolarHBondContact O-NZ 3.33Å; G361-K630 PolarHBondContact O-NZ 3.47Å; C567-K630 HydrophobicContact CB-CG 4.31Å; C567-K630 WeakPolarHBondContact O-CG 3.38Å; C571-K630 HydrophobicContact CB-CG 4Å; C571-K630 VanDerWaalsContact O-CE 3.28Å; C571-K630 WeakPolarHBondContact O-CE 3.4Å; P573-K630 HydrophobicContact CG-CB 4.07Å; E626-K630 VanDerWaalsContact O-CB 3.31Å; E626-K630 WeakPolarHBondContact O-CB 3.22Å; E626-K630 PolarHBondContact O-N 3.4Å; A627-K630 WeakPolarHBondContact O-CB 3.5Å; A627-K630 PolarHBondContact O-N 2.9Å; L628-K630 VanDerWaalsContact C-N 3.28Å; L628-K630 PolarHBondContact O-N 3.41Å; K630-E632 VanDerWaalsContact C-N 3.29Å; K630-E632 PolarHBondContact O-N 3.17Å; K630-L633 PolarHBondContact O-N 3.01Å; K630-L633 VanDerWaalsContact O-N 3.11Å
631	L	90.7	Very high	91.6	Very high	2 Å²	2	37.5 Å²	37.5	1%	0.01	18%	0.175	C	C	.	.	H	α-helix	trans	-60.5	-39.8	175.2	-174.8	161.4	0	0	0	110.9	I332 Y333 I336 F359 Y563 A627 L628 A629 L633	I332-L631 HydrophobicContact CB-CD2 4.36Å; I332-L631 HydrophobicContact CD1-CD2 4.42Å; I332-L631 HydrophobicContact CG1-CD2 4.03Å; I332-L631 HydrophobicContact CG2-CD2 3.59Å; Y333-L631 HydrophobicContact CD2-CD1 3.9Å; I336-L631 HydrophobicContact CD1-CD1 4.06Å; I336-L631 HydrophobicContact CD1-CD2 4.05Å; I336-L631 HydrophobicContact CD1-CG 3.91Å; F359-L631 HydrophobicContact CD2-CB 3.95Å; F359-L631 HydrophobicContact CD2-CD1 3.85Å; F359-L631 HydrophobicContact CD2-CG 4.02Å; F359-L631 HydrophobicContact CE2-CB 4.01Å; F359-L631 HydrophobicContact CE2-CD1 3.52Å; F359-L631 HydrophobicContact CE2-CG 3.59Å; F359-L631 HydrophobicContact CG-CB 4.34Å; F359-L631 HydrophobicContact CZ-CB 4.4Å; F359-L631 HydrophobicContact CZ-CD1 4.36Å; F359-L631 HydrophobicContact CZ-CG 3.98Å; Y563-L631 PolarHBondContact OH-O 3.18Å; A627-L631 PolarHBondContact O-N 3.32Å; L628-L631 WeakPolarHBondContact O-CB 3.26Å; L628-L631 PolarHBondContact O-N 3.21Å; A629-L631 VanDerWaalsContact C-N 3.34Å; L631-L633 VanDerWaalsContact C-N 3.28Å; L631-L633 PolarHBondContact O-N 3.47Å
632	E	89.8	Confident	91.7	Very high	58 Å²	58	37.4 Å²	37.4	27%	0.271	17%	0.174	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.4	5.9	176.5	-64.1	175.7	-173.5	0	0	113.7	I332 L628 A629 K630 Q634 H641	I332-E632 HydrophobicContact CG2-CG 4.44Å; L628-E632 PolarHBondContact O-N 3.29Å; A629-E632 PolarHBondContact O-N 3.33Å; K630-E632 VanDerWaalsContact C-N 3.29Å; K630-E632 PolarHBondContact O-N 3.17Å; E632-Q634 HydrophobicContact CB-CG 4.06Å; E632-Q634 PolarHBondContact O-N 3.44Å; E632-Q634 VanDerWaalsContact O-N 3.15Å; E632-Q634 VanDerWaalsContact OE2-CD 3.29Å; E632-Q634 PolarHBondContact OE2-NE2 2.75Å; E632-H641 VanDerWaalsContact CD-NE2 3.31Å; E632-H641 IonicContact OE1-CD2 3.76Å; E632-H641 IonicContact OE1-NE2 3.92Å; E632-H641 PolarHBondContact OE1-NE2 2.78Å; E632-H641 IonicContact OE2-CD2 3.52Å; E632-H641 IonicContact OE2-CE1 2.84Å; E632-H641 PolarHBondContact OE2-CE1 3.13Å; E632-H641 IonicContact OE2-NE2 3.74Å; E632-H641 PolarHBondContact OE2-NE2 2.97Å
633	L	88.6	Confident	91.7	Very high	34 Å²	34	38.9 Å²	38.9	18%	0.178	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	53.9	25.8	-171.1	-64.4	174.7	0	0	0	114.4	A327 Y566 C567 C571 A629 K630 L631	A327-L633 HydrophobicContact CB-CB 4.32Å; A327-L633 HydrophobicContact CB-CD1 3.45Å; A327-L633 VanDerWaalsContact CB-CD1 3.45Å; A327-L633 HydrophobicContact CB-CG 3.89Å; Y566-L633 HydrophobicContact CD1-CD1 4.44Å; Y566-L633 HydrophobicContact CD1-CD2 4.37Å; Y566-L633 HydrophobicContact CE1-CD1 3.82Å; Y566-L633 HydrophobicContact CE1-CD2 4.23Å; C567-L633 HydrophobicContact CB-CD2 4.04Å; C567-L633 VanDerWaalsContact SG-CD2 3.51Å; C571-L633 HydrophobicContact CB-CD2 4.37Å; C571-L633 WeakPolarHBondContact SG-CD2 3.26Å; A629-L633 PolarHBondContact O-N 2.89Å; K630-L633 PolarHBondContact O-N 3.01Å; K630-L633 VanDerWaalsContact O-N 3.11Å; L631-L633 VanDerWaalsContact C-N 3.28Å; L631-L633 PolarHBondContact O-N 3.47Å
634	Q	89.2	Confident	91.7	Very high	61 Å²	61	39.9 Å²	39.9	29%	0.285	19%	0.188	S	C	.	.			trans	-83	133.8	177.6	-70.7	179.3	19.2	0	0	110.9	A629 E632 F636 N638 H641	A629-Q634 PolarHBondContact O-N 3.3Å; E632-Q634 HydrophobicContact CB-CG 4.06Å; E632-Q634 PolarHBondContact O-N 3.44Å; E632-Q634 VanDerWaalsContact O-N 3.15Å; E632-Q634 VanDerWaalsContact OE2-CD 3.29Å; E632-Q634 PolarHBondContact OE2-NE2 2.75Å; Q634-F636 VanDerWaalsContact C-N 3.28Å; Q634-F636 PolarHBondContact O-N 2.84Å; Q634-N638 PolarHBondContact OE1-ND2 2.79Å; Q634-N638 VanDerWaalsContact OE1-ND2 3.12Å; Q634-H641 PolarHBondContact OE1-CE1 3.28Å
635	P	89.7	Confident	91.7	Very high	81 Å²	81	39.8 Å²	39.8	53%	0.526	19%	0.187	S	C	.	.	S	Bend	trans	-73.3	-19.8	177.9	27.9	-33.4	0	0	0	113.2	P573 R574	P573-P635 VanDerWaalsContact CA-O 3.25Å; P573-P635 WeakPolarHBondContact CA-O 3.41Å; R574-P635 PolarHBondContact N-O 3.18Å
636	F	92.2	Very high	91.6	Very high	117 Å²	117	40.2 Å²	40.2	51%	0.513	19%	0.19	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	133.1	-179.4	-57.9	-73.4	0	0	0	111.3	R574 Q634	R574-F636 HydrophobicContact CB-CD1 4.46Å; R574-F636 CarbonylContact O-C 3.51Å; R574-F636 VanDerWaalsContact O-CA 3.23Å; R574-F636 WeakPolarHBondContact O-CA 3.39Å; Q634-F636 VanDerWaalsContact C-N 3.28Å; Q634-F636 PolarHBondContact O-N 2.84Å
637	A	91.1	Very high	91.5	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	123.4	173	0	0	0	0	0	110.1	R574 N576 A629	R574-A637 PolarHBondContact O-N 3.05Å; N576-A637 WeakPolarHBondContact CB-O 3.16Å; N576-A637 PolarHBondContact N-O 3.47Å; A629-A637 HydrophobicContact CB-CB 3.93Å
638	N	92.1	Very high	91.3	Very high	61 Å²	61	43.9 Å²	43.9	33%	0.326	20%	0.203	S	C	.	.			trans	-92.7	170.3	-177.9	-71.3	-38.5	0	0	0	111.6	Q634 R640 H641 V642	Q634-N638 PolarHBondContact OE1-ND2 2.79Å; Q634-N638 VanDerWaalsContact OE1-ND2 3.12Å; N638-R640 PolarHBondContact O-N 2.73Å; N638-H641 PolarHBondContact N-ND1 2.92Å; N638-H641 VanDerWaalsContact N-ND1 3.13Å; N638-H641 PolarHBondContact O-N 2.81Å; N638-V642 PolarHBondContact O-N 3.46Å
639	E	93.1	Very high	91	Very high	72 Å²	72	43.6 Å²	43.6	34%	0.336	20%	0.202	S	C	.	.	H	α-helix	trans	-60.7	-32.7	178.1	-66.1	-174.1	-166.2	0	0	113	S578 K582 H641 V642 D643	S578-E639 WeakPolarHBondContact CB-OE1 3.41Å; S578-E639 PolarHBondContact OG-OE1 2.81Å; K582-E639 HydrophobicContact CD-CB 4.1Å; K582-E639 HydrophobicContact CD-CG 4.16Å; K582-E639 IonicContact NZ-OE2 3.44Å; E639-H641 VanDerWaalsContact C-N 3.31Å; E639-H641 PolarHBondContact O-N 2.84Å; E639-V642 WeakPolarHBondContact O-CB 3.17Å; E639-V642 PolarHBondContact O-N 2.91Å; E639-D643 VanDerWaalsContact O-CG 3.3Å; E639-D643 PolarHBondContact O-N 3.2Å
640	R	92	Very high	90.6	Very high	212 Å²	212	48.1 Å²	48.1	80%	0.8	22%	0.223	S	C	*	.	H	α-helix	trans	-59.3	-41.9	176.8	-64.1	-178	-179.8	178.3	-0.8	112	N638 V642 D643 E644	N638-R640 PolarHBondContact O-N 2.73Å; R640-V642 VanDerWaalsContact C-N 3.35Å; R640-D643 PolarHBondContact O-N 2.79Å; R640-E644 PolarHBondContact O-N 3.41Å
641	H	92.4	Very high	90.2	Very high	11 Å²	11	50.4 Å²	50.4	5%	0.051	24%	0.238	C	C	.	.	H	α-helix	trans	-67.8	-38.4	177.6	-53.7	143.5	0	0	0	111.5	L628 E632 Q634 N638 E639 A645	L628-H641 HydrophobicContact CB-CB 4.11Å; L628-H641 HydrophobicContact CD1-CB 4.4Å; L628-H641 WeakPolarHBondContact CD1-O 3.4Å; E632-H641 VanDerWaalsContact CD-NE2 3.31Å; E632-H641 IonicContact OE1-CD2 3.76Å; E632-H641 IonicContact OE1-NE2 3.92Å; E632-H641 PolarHBondContact OE1-NE2 2.78Å; E632-H641 IonicContact OE2-CD2 3.52Å; E632-H641 IonicContact OE2-CE1 2.84Å; E632-H641 PolarHBondContact OE2-CE1 3.13Å; E632-H641 IonicContact OE2-NE2 3.74Å; E632-H641 PolarHBondContact OE2-NE2 2.97Å; Q634-H641 PolarHBondContact OE1-CE1 3.28Å; N638-H641 PolarHBondContact N-ND1 2.92Å; N638-H641 VanDerWaalsContact N-ND1 3.13Å; N638-H641 PolarHBondContact O-N 2.81Å; E639-H641 VanDerWaalsContact C-N 3.31Å; E639-H641 PolarHBondContact O-N 2.84Å; H641-A645 VanDerWaalsContact O-CB 3.31Å; H641-A645 WeakPolarHBondContact O-CB 3.3Å; H641-A645 PolarHBondContact O-N 2.96Å
642	V	93.1	Very high	89.4	Confident	0 Å²	0	50.3 Å²	50.3	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-63.9	-42.1	175.5	166.5	0	0	0	0	111.4	A579 L583 N638 E639 R640 A645 L646	A579-V642 HydrophobicContact CB-CG2 3.88Å; L583-V642 HydrophobicContact CD1-CG2 4.11Å; L583-V642 HydrophobicContact CD2-CB 4.42Å; L583-V642 HydrophobicContact CD2-CG1 3.45Å; L583-V642 VanDerWaalsContact CD2-CG1 3.45Å; L583-V642 HydrophobicContact CD2-CG2 4.2Å; L583-V642 HydrophobicContact CG-CG1 3.73Å; L583-V642 HydrophobicContact CG-CG2 4Å; N638-V642 PolarHBondContact O-N 3.46Å; E639-V642 WeakPolarHBondContact O-CB 3.17Å; E639-V642 PolarHBondContact O-N 2.91Å; R640-V642 VanDerWaalsContact C-N 3.35Å; V642-A645 PolarHBondContact O-N 3.18Å; V642-L646 HydrophobicContact CG1-CD1 3.77Å; V642-L646 HydrophobicContact CG1-CG 4.28Å; V642-L646 WeakPolarHBondContact O-CB 3.27Å; V642-L646 VanDerWaalsContact O-CG 3.27Å; V642-L646 WeakPolarHBondContact O-CG 3.34Å; V642-L646 PolarHBondContact O-N 3.44Å
643	D	93.2	Very high	88.5	Confident	69 Å²	69	48.1 Å²	48.1	37%	0.369	23%	0.228	S	C	.	.	H	α-helix	trans	-63.7	-43.7	179.6	-69.1	-27.7	0	0	0	111.8	K582 E639 R640 L646 R647	K582-D643 WeakPolarHBondContact CE-OD1 3.34Å; K582-D643 IonicContact NZ-OD1 3.88Å; K582-D643 PolarHBondContact NZ-OD1 3.32Å; K582-D643 IonicContact NZ-OD2 4Å; K582-D643 PolarHBondContact NZ-OD2 2.96Å; E639-D643 VanDerWaalsContact O-CG 3.3Å; E639-D643 PolarHBondContact O-N 3.2Å; R640-D643 PolarHBondContact O-N 2.79Å; D643-L646 PolarHBondContact O-N 2.63Å; D643-R647 WeakPolarHBondContact O-CB 3.23Å; D643-R647 PolarHBondContact O-N 3.2Å
644	E	91.4	Very high	87.5	Confident	36 Å²	36	50 Å²	50	17%	0.168	24%	0.238	C	C	.	.	H	α-helix	trans	-66.8	-41.3	175.7	-179.6	61.5	-174.1	0	0	111.6	Y333 K352 L628 R640 L646 R647 L648	Y333-E644 HydrophobicContact CE1-CG 4.01Å; Y333-E644 WeakPolarHBondContact CE1-OE1 3.38Å; Y333-E644 PolarHBondContact OH-OE1 3.41Å; K352-E644 IonicContact NZ-OE1 3.24Å; L628-E644 HydrophobicContact CD1-CB 4.11Å; L628-E644 HydrophobicContact CD1-CG 4.1Å; R640-E644 PolarHBondContact O-N 3.41Å; E644-L646 VanDerWaalsContact C-N 3.31Å; E644-L646 PolarHBondContact O-N 3.14Å; E644-R647 WeakPolarHBondContact O-CB 3.42Å; E644-R647 PolarHBondContact O-N 3.43Å; E644-R647 IonicContact OE1-CZ 2.78Å; E644-R647 IonicContact OE1-NE 3.68Å; E644-R647 PolarHBondContact OE1-NE 3.44Å; E644-R647 IonicContact OE1-NH2 3.23Å; E644-R647 PolarHBondContact OE1-NH2 3.38Å; E644-R647 IonicContact OE2-CZ 3.71Å; E644-R647 IonicContact OE2-NE 3.66Å; E644-R647 PolarHBondContact OE2-NE 2.91Å; E644-R647 IonicContact OE2-NH2 2.64Å; E644-L648 WeakPolarHBondContact O-CG 2.91Å; E644-L648 PolarHBondContact O-N 2.89Å
645	A	91.9	Very high	86.3	Confident	0 Å²	0	48.5 Å²	48.5	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-61.8	-39.2	174.6	0	0	0	0	0	112	I621 M624 L628 H641 V642 F649	I621-A645 HydrophobicContact CG2-CB 4.17Å; M624-A645 HydrophobicContact CB-CB 3.95Å; L628-A645 HydrophobicContact CD1-CB 4.3Å; H641-A645 VanDerWaalsContact O-CB 3.31Å; H641-A645 WeakPolarHBondContact O-CB 3.3Å; H641-A645 PolarHBondContact O-N 2.96Å; V642-A645 PolarHBondContact O-N 3.18Å; A645-F649 VanDerWaalsContact O-CB 3.28Å; A645-F649 WeakPolarHBondContact O-CB 3.28Å; A645-F649 PolarHBondContact O-N 3.11Å
646	L	90.8	Very high	85	Confident	10 Å²	10	45.1 Å²	45.1	5%	0.052	22%	0.215	C	C	.	.	H	α-helix	trans	-66.1	-41.4	173.7	-76.6	169.1	0	0	0	111.4	S586 M590 I621 V642 D643 E644 F649 Q650	S586-L646 WeakPolarHBondContact OG-CD1 3.25Å; M590-L646 HydrophobicContact CE-CD2 3.94Å; M590-L646 HydrophobicContact SD-CD2 4.39Å; I621-L646 HydrophobicContact CD1-CD2 3.9Å; I621-L646 HydrophobicContact CG2-CD2 4.18Å; I621-L646 HydrophobicContact CG2-CG 4.31Å; V642-L646 HydrophobicContact CG1-CD1 3.77Å; V642-L646 HydrophobicContact CG1-CG 4.28Å; V642-L646 WeakPolarHBondContact O-CB 3.27Å; V642-L646 VanDerWaalsContact O-CG 3.27Å; V642-L646 WeakPolarHBondContact O-CG 3.34Å; V642-L646 PolarHBondContact O-N 3.44Å; D643-L646 PolarHBondContact O-N 2.63Å; E644-L646 VanDerWaalsContact C-N 3.31Å; E644-L646 PolarHBondContact O-N 3.14Å; L646-F649 PolarHBondContact O-N 3.37Å; L646-Q650 VanDerWaalsContact O-CG 3.24Å; L646-Q650 WeakPolarHBondContact O-CG 3.35Å; L646-Q650 PolarHBondContact O-N 3.3Å
647	R	90.9	Very high	83.6	Confident	77 Å²	77	40.6 Å²	40.6	29%	0.291	20%	0.199	S	C	.	.	H	α-helix	trans	-58.7	-49.7	175.6	-169.2	-169.1	71	77.4	3.8	110.9	D349 D643 E644 F649 Q650 V651	D349-R647 IonicContact OD1-CZ 3.71Å; D349-R647 VanDerWaalsContact OD1-CZ 3.24Å; D349-R647 IonicContact OD1-NH1 3.88Å; D349-R647 PolarHBondContact OD1-NH1 2.84Å; D349-R647 IonicContact OD1-NH2 3.37Å; D349-R647 PolarHBondContact OD1-NH2 3.5Å; D349-R647 IonicContact OD2-NH1 3.67Å; D643-R647 WeakPolarHBondContact O-CB 3.23Å; D643-R647 PolarHBondContact O-N 3.2Å; E644-R647 WeakPolarHBondContact O-CB 3.42Å; E644-R647 PolarHBondContact O-N 3.43Å; E644-R647 IonicContact OE1-CZ 2.78Å; E644-R647 IonicContact OE1-NE 3.68Å; E644-R647 PolarHBondContact OE1-NE 3.44Å; E644-R647 IonicContact OE1-NH2 3.23Å; E644-R647 PolarHBondContact OE1-NH2 3.38Å; E644-R647 IonicContact OE2-CZ 3.71Å; E644-R647 IonicContact OE2-NE 3.66Å; E644-R647 PolarHBondContact OE2-NE 2.91Å; E644-R647 IonicContact OE2-NH2 2.64Å; R647-F649 VanDerWaalsContact C-N 3.3Å; R647-F649 PolarHBondContact O-N 3.48Å; R647-Q650 PolarHBondContact O-N 2.9Å; R647-V651 WeakPolarHBondContact O-CG2 3.33Å; R647-V651 PolarHBondContact O-N 3.05Å
648	L	88.9	Confident	82	Confident	1 Å²	1	42.5 Å²	42.5	1%	0.005	21%	0.212	C	C	.	.	H	α-helix	trans	-60.8	-39.5	176	-68.7	175.9	0	0	0	111.9	D349 K352 E644 S652	D349-L648 HydrophobicContact CB-CD2 4.31Å; K352-L648 HydrophobicContact CB-CD1 4.48Å; K352-L648 HydrophobicContact CB-CD2 4.05Å; E644-L648 WeakPolarHBondContact O-CG 2.91Å; E644-L648 PolarHBondContact O-N 2.89Å; L648-S652 WeakPolarHBondContact O-CB 3.43Å; L648-S652 PolarHBondContact O-N 3.01Å; L648-S652 PolarHBondContact O-OG 3.38Å
649	F	87.3	Confident	80.3	Confident	2 Å²	2	40.8 Å²	40.8	1%	0.009	20%	0.202	C	C	.	.	H	α-helix	trans	-66.4	-39.1	177.6	-176.1	-98	0	0	0	112.8	M590 Q617 I621 M624 A645 L646 R647 S652 T653	M590-F649 HydrophobicContact CE-CE1 4.38Å; M590-F649 HydrophobicContact SD-CD1 3.88Å; M590-F649 HydrophobicContact SD-CE1 3.83Å; Q617-F649 HydrophobicContact CB-CE2 3.88Å; Q617-F649 HydrophobicContact CB-CZ 3.65Å; Q617-F649 HydrophobicContact CG-CE2 4.02Å; Q617-F649 HydrophobicContact CG-CZ 3.81Å; I621-F649 HydrophobicContact CD1-CB 4.47Å; I621-F649 HydrophobicContact CD1-CD1 3.94Å; I621-F649 HydrophobicContact CD1-CD2 4.25Å; I621-F649 HydrophobicContact CD1-CE1 4.25Å; I621-F649 HydrophobicContact CD1-CG 3.94Å; I621-F649 HydrophobicContact CG1-CB 4.09Å; I621-F649 HydrophobicContact CG1-CD1 4.37Å; I621-F649 HydrophobicContact CG1-CD2 3.92Å; I621-F649 HydrophobicContact CG1-CE2 4.5Å; I621-F649 HydrophobicContact CG1-CG 3.85Å; M624-F649 HydrophobicContact CE-CB 4.12Å; M624-F649 HydrophobicContact CE-CD2 4.2Å; A645-F649 VanDerWaalsContact O-CB 3.28Å; A645-F649 WeakPolarHBondContact O-CB 3.28Å; A645-F649 PolarHBondContact O-N 3.11Å; L646-F649 PolarHBondContact O-N 3.37Å; R647-F649 VanDerWaalsContact C-N 3.3Å; R647-F649 PolarHBondContact O-N 3.48Å; F649-S652 VanDerWaalsContact CA-OG 3.31Å; F649-S652 WeakPolarHBondContact CA-OG 3.43Å; F649-S652 PolarHBondContact O-N 3.06Å; F649-S652 PolarHBondContact O-OG 3.36Å; F649-T653 HydrophobicContact CD2-CG2 3.94Å; F649-T653 HydrophobicContact CE1-CG2 4.43Å; F649-T653 WeakPolarHBondContact CE1-OG1 3.39Å; F649-T653 HydrophobicContact CE2-CG2 3.44Å; F649-T653 VanDerWaalsContact CE2-CG2 3.44Å; F649-T653 HydrophobicContact CZ-CG2 3.7Å; F649-T653 VanDerWaalsContact CZ-OG1 3.22Å; F649-T653 WeakPolarHBondContact CZ-OG1 3.46Å; F649-T653 PolarHBondContact O-N 3.06Å; F649-T653 PolarHBondContact O-OG1 3.45Å
650	Q	83.8	Confident	78.4	Confident	95 Å²	95	38.7 Å²	38.7	44%	0.444	20%	0.2	S	C	.	.	I	π-helix	trans	-65.9	-46.2	176.1	-71.3	174	-0	0	0	111.3	L646 R647 S652 L654 A655	L646-Q650 VanDerWaalsContact O-CG 3.24Å; L646-Q650 WeakPolarHBondContact O-CG 3.35Å; L646-Q650 PolarHBondContact O-N 3.3Å; R647-Q650 PolarHBondContact O-N 2.9Å; Q650-S652 VanDerWaalsContact C-N 3.25Å; Q650-S652 PolarHBondContact O-N 2.9Å; Q650-L654 HydrophobicContact CB-CD1 4.03Å; Q650-L654 HydrophobicContact CG-CD1 3.76Å; Q650-L654 WeakPolarHBondContact O-CB 3.5Å; Q650-L654 PolarHBondContact O-N 3.14Å; Q650-L654 VanDerWaalsContact O-N 3.17Å; Q650-A655 PolarHBondContact O-N 3.34Å
651	V	82	Confident	76.1	Confident	59 Å²	59	32.3 Å²	32.3	36%	0.358	19%	0.187	S	C	.	.	I	π-helix	trans	-61.7	-35.4	177.9	173.4	0	0	0	0	111.7	D349 R647 A655	D349-V651 HydrophobicContact CB-CG1 4.36Å; R647-V651 WeakPolarHBondContact O-CG2 3.33Å; R647-V651 PolarHBondContact O-N 3.05Å; V651-A655 WeakPolarHBondContact O-CB 3.47Å
652	S	74.8	Confident	73.8	Confident	1 Å²	1	35.8 Å²	35.8	1%	0.007	21%	0.206	C	C	.	.	I	π-helix	trans	-79.1	-63.7	179.8	49.8	0	0	0	0	112.7	I518 L648 F649 Q650 A656	I518-S652 CarbonylContact O-C 3.49Å; I518-S652 WeakPolarHBondContact O-CA 3.25Å; I518-S652 WeakPolarHBondContact O-CB 3.2Å; L648-S652 WeakPolarHBondContact O-CB 3.43Å; L648-S652 PolarHBondContact O-N 3.01Å; L648-S652 PolarHBondContact O-OG 3.38Å; F649-S652 VanDerWaalsContact CA-OG 3.31Å; F649-S652 WeakPolarHBondContact CA-OG 3.43Å; F649-S652 PolarHBondContact O-N 3.06Å; F649-S652 PolarHBondContact O-OG 3.36Å; Q650-S652 VanDerWaalsContact C-N 3.25Å; Q650-S652 PolarHBondContact O-N 2.9Å; S652-A656 WeakPolarHBondContact O-CB 3.49Å; S652-A656 PolarHBondContact O-N 3.01Å
653	T	70.6	Confident	71.2	Confident	11 Å²	11	40 Å²	40	7%	0.067	24%	0.235	C	C	.	.	I	π-helix	trans	-85	-39.9	-167.2	61.4	0	0	0	0	114.1	F649 A656 A657	F649-T653 HydrophobicContact CD2-CG2 3.94Å; F649-T653 HydrophobicContact CE1-CG2 4.43Å; F649-T653 WeakPolarHBondContact CE1-OG1 3.39Å; F649-T653 HydrophobicContact CE2-CG2 3.44Å; F649-T653 VanDerWaalsContact CE2-CG2 3.44Å; F649-T653 HydrophobicContact CZ-CG2 3.7Å; F649-T653 VanDerWaalsContact CZ-OG1 3.22Å; F649-T653 WeakPolarHBondContact CZ-OG1 3.46Å; F649-T653 PolarHBondContact O-N 3.06Å; F649-T653 PolarHBondContact O-OG1 3.45Å; T653-A656 PolarHBondContact O-N 2.84Å; T653-A657 WeakPolarHBondContact O-CB 3.34Å; T653-A657 PolarHBondContact O-N 3.31Å
654	L	66.5	Low	68.8	Low	75 Å²	75	38.4 Å²	38.4	39%	0.393	24%	0.236	S	C	.	.	I	π-helix	trans	-72.8	-38	-178.6	-66.2	177.9	0	0	0	110.8	Q650 A657 S658	Q650-L654 HydrophobicContact CB-CD1 4.03Å; Q650-L654 HydrophobicContact CG-CD1 3.76Å; Q650-L654 WeakPolarHBondContact O-CB 3.5Å; Q650-L654 PolarHBondContact O-N 3.14Å; Q650-L654 VanDerWaalsContact O-N 3.17Å; L654-A657 PolarHBondContact O-N 3.43Å; L654-S658 VanDerWaalsContact O-CB 3.24Å; L654-S658 WeakPolarHBondContact O-CB 3.43Å; L654-S658 PolarHBondContact O-N 2.85Å; L654-S658 PolarHBondContact O-OG 2.91Å
655	A	65	Low	66.6	Low	28 Å²	28	37.9 Å²	37.9	23%	0.231	24%	0.237	C	C	.	.	H	α-helix	trans	-59.9	-48.1	173.2	0	0	0	0	0	110.5	Q650 V651 A657 S658 Q659	Q650-A655 PolarHBondContact O-N 3.34Å; V651-A655 WeakPolarHBondContact O-CB 3.47Å; A655-A657 VanDerWaalsContact C-N 3.3Å; A655-A657 PolarHBondContact O-N 2.9Å; A655-S658 PolarHBondContact O-N 2.8Å; A655-S658 PolarHBondContact O-OG 3.16Å; A655-Q659 WeakPolarHBondContact O-CB 3.33Å; A655-Q659 WeakPolarHBondContact O-CG 3.48Å; A655-Q659 PolarHBondContact O-N 3.04Å; A655-Q659 PolarHBondContact O-OE1 3.2Å
656	A	62.6	Low	64.5	Low	11 Å²	11	42 Å²	42	9%	0.091	26%	0.256	C	S	.	.	H	α-helix	trans	-59.9	-39	176.8	0	0	0	0	0	112.8	V520 I611 S652 T653	V520-A656 HydrophobicContact CG2-CB 4.09Å; I611-A656 HydrophobicContact CD1-CB 4.47Å; S652-A656 WeakPolarHBondContact O-CB 3.49Å; S652-A656 PolarHBondContact O-N 3.01Å; T653-A656 PolarHBondContact O-N 2.84Å
657	A	61.3	Low	62.3	Low	21 Å²	21	47.7 Å²	47.7	17%	0.174	28%	0.283	C	S	.	.	H	α-helix	trans	-76.4	-40.6	-179.6	0	0	0	0	0	113.4	T653 L654 A655 Q659 G660	T653-A657 WeakPolarHBondContact O-CB 3.34Å; T653-A657 PolarHBondContact O-N 3.31Å; L654-A657 PolarHBondContact O-N 3.43Å; A655-A657 VanDerWaalsContact C-N 3.3Å; A655-A657 PolarHBondContact O-N 2.9Å; A657-Q659 VanDerWaalsContact C-N 3.34Å; A657-G660 PolarHBondContact O-N 3.16Å
658	S	58.3	Low	59.9	Low	41 Å²	41	45.2 Å²	45.2	29%	0.287	27%	0.274	S	S	.	.	H	α-helix	trans	-68	-38.4	179.8	66	0	0	0	0	111	L654 A655 G660 S661 L662	L654-S658 VanDerWaalsContact O-CB 3.24Å; L654-S658 WeakPolarHBondContact O-CB 3.43Å; L654-S658 PolarHBondContact O-N 2.85Å; L654-S658 PolarHBondContact O-OG 2.91Å; A655-S658 PolarHBondContact O-N 2.8Å; A655-S658 PolarHBondContact O-OG 3.16Å; S658-G660 PolarHBondContact O-N 2.77Å; S658-S661 PolarHBondContact O-N 3.35Å; S658-L662 VanDerWaalsContact O-CD1 3.31Å; S658-L662 WeakPolarHBondContact O-CD1 3.18Å; S658-L662 PolarHBondContact O-N 3.13Å
659	Q	56.2	Low	58	Low	25 Å²	25	52.3 Å²	52.3	12%	0.117	31%	0.312	C	S	.	.	H	α-helix	trans	-64.9	-24.5	179.6	-71.2	165.7	8.5	0	0	112.7	R522 A655 A657 S661 E666	R522-Q659 VanDerWaalsContact CZ-NE2 3.34Å; R522-Q659 VanDerWaalsContact CZ-OE1 3.29Å; A655-Q659 WeakPolarHBondContact O-CB 3.33Å; A655-Q659 WeakPolarHBondContact O-CG 3.48Å; A655-Q659 PolarHBondContact O-N 3.04Å; A655-Q659 PolarHBondContact O-OE1 3.2Å; A657-Q659 VanDerWaalsContact C-N 3.34Å; Q659-S661 VanDerWaalsContact C-N 3.31Å; Q659-E666 WeakPolarHBondContact CG-OE1 3.49Å
660	G	52.3	Low	56.6	Low	27 Å²	27	55.3 Å²	55.3	28%	0.278	33%	0.331	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.4	-19.8	172.7	0	0	0	0	0	114.4	A657 S658	A657-G660 PolarHBondContact O-N 3.16Å; S658-G660 PolarHBondContact O-N 2.77Å
661	S	45.5	Very low	55.6	Low	78 Å²	78	56.7 Å²	56.7	55%	0.545	34%	0.34	S	S	.	.	T	Hydrogen-bonded Turn	trans	-121.7	-14.3	-170.7	-167.1	0	0	0	0	115.1	S658 Q659	S658-S661 PolarHBondContact O-N 3.35Å; Q659-S661 VanDerWaalsContact C-N 3.31Å
662	L	43.2	Very low	54.9	Low	85 Å²	85	58.9 Å²	58.9	45%	0.445	35%	0.35	S	S	.	.			trans	-102.9	73.8	-175.6	-80.6	123.1	0	0	0	112.6	S658 G664 A665	S658-L662 VanDerWaalsContact O-CD1 3.31Å; S658-L662 WeakPolarHBondContact O-CD1 3.18Å; S658-L662 PolarHBondContact O-N 3.13Å; L662-G664 PolarHBondContact O-N 3.21Å; L662-A665 HydrophobicContact CD2-CB 3.53Å
663	S	39.4	Very low	54.6	Low	87 Å²	87	60.9 Å²	60.9	61%	0.608	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.3	44.1	172.6	-74.8	0	0	0	0	115.3
664	G	41.7	Very low	54.5	Low	37 Å²	37	65.1 Å²	65.1	38%	0.381	38%	0.379	S	S	.	.	T	Hydrogen-bonded Turn	trans	162.2	12.5	171.6	0	0	0	0	0	118.8	L662	L662-G664 PolarHBondContact O-N 3.21Å
665	A	45.5	Very low	55	Low	24 Å²	24	66.9 Å²	66.9	20%	0.198	39%	0.385	C	S	.	.			trans	-112.4	-4.9	-173.6	0	0	0	0	0	115.6	L662 E667 F668	L662-A665 HydrophobicContact CD2-CB 3.53Å; A665-E667 PolarHBondContact O-N 3.33Å; A665-F668 WeakPolarHBondContact O-CD2 3.43Å; A665-F668 PolarHBondContact O-N 2.86Å
666	E	48	Very low	55.7	Low	86 Å²	86	67.3 Å²	67.3	40%	0.402	39%	0.385	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89	8.6	-170.7	-64.5	-162.6	156	0	0	115.4	R522 Q659	R522-E666 IonicContact CZ-OE2 2.66Å; R522-E666 IonicContact NH1-OE2 3.69Å; R522-E666 PolarHBondContact NH1-OE2 3.12Å; R522-E666 IonicContact NH2-OE2 3.63Å; Q659-E666 WeakPolarHBondContact CG-OE1 3.49Å
667	E	43.7	Very low	56.4	Low	131 Å²	131	67.7 Å²	67.7	61%	0.612	39%	0.385	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97	12.8	164.6	-64.1	-169.1	175.8	0	0	113.3	A665 K715	A665-E667 PolarHBondContact O-N 3.33Å; E667-K715 HydrophobicContact CB-CD 4.49Å; E667-K715 PolarHBondContact O-NZ 3.02Å; E667-K715 WeakPolarHBondContact OE2-CE 3.49Å; E667-K715 IonicContact OE2-NZ 2.98Å; E667-K715 PolarHBondContact OE2-NZ 3.19Å
668	F	41.8	Very low	57.3	Low	24 Å²	24	68.1 Å²	68.1	11%	0.105	39%	0.388	C	S	.	.			trans	-105.4	104.8	177.6	-63.7	-59.2	0	0	0	108.7	A665 T670 D673 Q674 F677 I712 K715	A665-F668 WeakPolarHBondContact O-CD2 3.43Å; A665-F668 PolarHBondContact O-N 2.86Å; F668-T670 PolarHBondContact O-N 2.65Å; F668-D673 HydrophobicContact CB-CB 3.78Å; F668-D673 HydrophobicContact CD1-CB 3.62Å; F668-D673 HydrophobicContact CG-CB 4.06Å; F668-Q674 HydrophobicContact CB-CG 4.21Å; F668-F677 HydrophobicContact CE1-CB 4.48Å; F668-F677 HydrophobicContact CE1-CD2 4.04Å; F668-F677 AromaticContact CE2-CD2 3.57Å; F668-F677 HydrophobicContact CE2-CD2 3.57Å; F668-F677 AromaticContact CE2-CE2 3.93Å; F668-F677 HydrophobicContact CE2-CE2 3.93Å; F668-F677 HydrophobicContact CE2-CG 4.13Å; F668-F677 HydrophobicContact CZ-CB 4.26Å; F668-F677 AromaticContact CZ-CD2 3.18Å; F668-F677 HydrophobicContact CZ-CD2 3.18Å; F668-F677 AromaticContact CZ-CE2 3.73Å; F668-F677 HydrophobicContact CZ-CE2 3.73Å; F668-F677 HydrophobicContact CZ-CG 4Å; F668-I712 HydrophobicContact CE1-CG2 4.41Å; F668-K715 HydrophobicContact CE1-CD 4.23Å; F668-K715 HydrophobicContact CZ-CB 4.28Å; F668-K715 HydrophobicContact CZ-CD 4.32Å
669	N	49.1	Very low	58.5	Low	151 Å²	151	73 Å²	73	81%	0.807	40%	0.401	S	S	*	.			trans	-79.8	-5.7	-172.2	-74.1	-36	0	0	0	112.5	D673	N669-D673 PolarHBondContact N-OD2 2.97Å
670	T	57.5	Low	59.8	Low	65 Å²	65	71.8 Å²	71.8	40%	0.399	40%	0.395	S	S	.	.	S	Bend	trans	-141.5	154.1	-178.1	62.5	0	0	0	0	112.5	F668 D672 D673 Q674	F668-T670 PolarHBondContact O-N 2.65Å; T670-D672 PolarHBondContact O-N 3.21Å; T670-D673 PolarHBondContact N-OD2 3.45Å; T670-D673 WeakPolarHBondContact O-CB 3.39Å; T670-D673 PolarHBondContact O-N 3.49Å; T670-D673 PolarHBondContact OG1-N 3.44Å; T670-D673 VanDerWaalsContact OG1-N 3.14Å; T670-D673 PolarHBondContact OG1-OD1 3Å; T670-D673 PolarHBondContact OG1-OD2 2.99Å; T670-Q674 PolarHBondContact O-N 3.32Å
671	I	63.5	Low	61.3	Low	123 Å²	123	71.9 Å²	71.9	63%	0.631	39%	0.388	S	S	*	.	H	α-helix	trans	-58.6	-31.8	170.1	-65.9	169.4	0	0	0	110.1	Q674 Q675	I671-Q674 PolarHBondContact O-N 2.66Å; I671-Q675 WeakPolarHBondContact O-CG 3.38Å; I671-Q675 PolarHBondContact O-N 2.86Å; I671-Q675 VanDerWaalsContact O-N 3.15Å
672	D	67.3	Low	63.2	Low	106 Å²	106	76.1 Å²	76.1	57%	0.567	39%	0.392	S	S	*	.	H	α-helix	trans	-63.6	-43.5	177.3	-68.8	-20.8	0	0	0	111.4	T670 Q674 Q675 V676	T670-D672 PolarHBondContact O-N 3.21Å; D672-Q674 VanDerWaalsContact C-N 3.28Å; D672-Q674 PolarHBondContact O-N 3.46Å; D672-Q675 WeakPolarHBondContact O-CB 3.4Å; D672-Q675 PolarHBondContact O-N 3.16Å; D672-Q675 VanDerWaalsContact O-N 3.08Å; D672-V676 VanDerWaalsContact O-CG2 3.31Å; D672-V676 WeakPolarHBondContact O-CG2 3.27Å; D672-V676 PolarHBondContact O-N 3.47Å
673	D	68	Low	65.2	Low	42 Å²	42	74.9 Å²	74.9	23%	0.225	38%	0.384	C	S	.	.	H	α-helix	trans	-60.7	-36.9	176.4	-63.9	-33.3	0	0	0	112.5	F668 N669 T670 V676 F677	F668-D673 HydrophobicContact CB-CB 3.78Å; F668-D673 HydrophobicContact CD1-CB 3.62Å; F668-D673 HydrophobicContact CG-CB 4.06Å; N669-D673 PolarHBondContact N-OD2 2.97Å; T670-D673 PolarHBondContact N-OD2 3.45Å; T670-D673 WeakPolarHBondContact O-CB 3.39Å; T670-D673 PolarHBondContact O-N 3.49Å; T670-D673 PolarHBondContact OG1-N 3.44Å; T670-D673 VanDerWaalsContact OG1-N 3.14Å; T670-D673 PolarHBondContact OG1-OD1 3Å; T670-D673 PolarHBondContact OG1-OD2 2.99Å; D673-V676 PolarHBondContact O-N 2.96Å; D673-F677 VanDerWaalsContact O-CB 3.29Å; D673-F677 WeakPolarHBondContact O-CB 3.46Å; D673-F677 PolarHBondContact O-N 3.46Å
674	Q	68.1	Low	67.2	Low	100 Å²	100	70.9 Å²	70.9	47%	0.467	36%	0.356	S	S	.	.	H	α-helix	trans	-67.1	-37.1	175.7	-67.7	-176.7	-4.9	0	0	112	F668 T670 I671 D672 F677 A678	F668-Q674 HydrophobicContact CB-CG 4.21Å; T670-Q674 PolarHBondContact O-N 3.32Å; I671-Q674 PolarHBondContact O-N 2.66Å; D672-Q674 VanDerWaalsContact C-N 3.28Å; D672-Q674 PolarHBondContact O-N 3.46Å; Q674-F677 PolarHBondContact O-N 2.92Å; Q674-A678 WeakPolarHBondContact O-CB 3.27Å; Q674-A678 PolarHBondContact O-N 2.98Å
675	Q	77.3	Confident	69.1	Low	112 Å²	112	72.5 Å²	72.5	52%	0.523	35%	0.352	S	S	.	.	H	α-helix	trans	-68.3	-41	175	-67.4	-176.7	22.9	0	0	111.6	I671 D672 A678 R679	I671-Q675 WeakPolarHBondContact O-CG 3.38Å; I671-Q675 PolarHBondContact O-N 2.86Å; I671-Q675 VanDerWaalsContact O-N 3.15Å; D672-Q675 WeakPolarHBondContact O-CB 3.4Å; D672-Q675 PolarHBondContact O-N 3.16Å; D672-Q675 VanDerWaalsContact O-N 3.08Å; Q675-A678 PolarHBondContact O-N 3.33Å; Q675-R679 WeakPolarHBondContact O-CB 3.27Å; Q675-R679 PolarHBondContact O-N 2.92Å
676	V	79.5	Confident	70.9	Confident	37 Å²	37	80 Å²	80	22%	0.224	38%	0.38	C	S	.	.	H	α-helix	trans	-62.7	-45	174.7	175.7	0	0	0	0	110.1	D672 D673 A678 R679 I680 F708 I712	D672-V676 VanDerWaalsContact O-CG2 3.31Å; D672-V676 WeakPolarHBondContact O-CG2 3.27Å; D672-V676 PolarHBondContact O-N 3.47Å; D673-V676 PolarHBondContact O-N 2.96Å; V676-A678 PolarHBondContact O-N 3.3Å; V676-R679 WeakPolarHBondContact O-CB 3.49Å; V676-R679 PolarHBondContact O-N 3.35Å; V676-I680 HydrophobicContact CG1-CD1 3.77Å; V676-I680 HydrophobicContact CG1-CG1 4.38Å; V676-I680 WeakPolarHBondContact O-CG1 3.25Å; V676-I680 PolarHBondContact O-N 2.93Å; V676-F708 HydrophobicContact CG1-CD1 3.82Å; V676-F708 HydrophobicContact CG1-CE1 4.02Å; V676-I712 HydrophobicContact CG1-CD1 4.21Å; V676-I712 HydrophobicContact CG1-CG2 4.1Å
677	F	76.7	Confident	72.2	Confident	19 Å²	19	84.9 Å²	84.9	8%	0.083	40%	0.395	C	S	.	.	H	α-helix	trans	-57.4	-50.8	175.4	-177.1	-85.7	0	0	0	112.2	F668 D673 Q674 R679 I680 E681 V716 T719	F668-F677 HydrophobicContact CE1-CB 4.48Å; F668-F677 HydrophobicContact CE1-CD2 4.04Å; F668-F677 AromaticContact CE2-CD2 3.57Å; F668-F677 HydrophobicContact CE2-CD2 3.57Å; F668-F677 AromaticContact CE2-CE2 3.93Å; F668-F677 HydrophobicContact CE2-CE2 3.93Å; F668-F677 HydrophobicContact CE2-CG 4.13Å; F668-F677 HydrophobicContact CZ-CB 4.26Å; F668-F677 AromaticContact CZ-CD2 3.18Å; F668-F677 HydrophobicContact CZ-CD2 3.18Å; F668-F677 AromaticContact CZ-CE2 3.73Å; F668-F677 HydrophobicContact CZ-CE2 3.73Å; F668-F677 HydrophobicContact CZ-CG 4Å; D673-F677 VanDerWaalsContact O-CB 3.29Å; D673-F677 WeakPolarHBondContact O-CB 3.46Å; D673-F677 PolarHBondContact O-N 3.46Å; Q674-F677 PolarHBondContact O-N 2.92Å; F677-R679 PolarHBondContact O-N 3.49Å; F677-I680 PolarHBondContact O-N 3.24Å; F677-E681 WeakPolarHBondContact CE1-OE2 3.41Å; F677-E681 WeakPolarHBondContact O-CB 3.25Å; F677-E681 PolarHBondContact O-N 3.35Å; F677-V716 HydrophobicContact CD2-CB 4.23Å; F677-V716 HydrophobicContact CD2-CG2 3.23Å; F677-V716 HydrophobicContact CE2-CB 3.94Å; F677-V716 HydrophobicContact CE2-CG1 4.34Å; F677-V716 HydrophobicContact CE2-CG2 3.44Å; F677-V716 VanDerWaalsContact CE2-CG2 3.44Å; F677-V716 HydrophobicContact CG-CG2 3.97Å; F677-V716 HydrophobicContact CZ-CG1 4.46Å; F677-V716 HydrophobicContact CZ-CG2 4.26Å; F677-T719 HydrophobicContact CZ-CG2 3.9Å
678	A	81.3	Confident	73.8	Confident	30 Å²	30	78.9 Å²	78.9	25%	0.248	37%	0.367	C	S	.	.	H	α-helix	trans	-63.7	-32.6	178.9	0	0	0	0	0	112.1	Q674 Q675 V676 R682	Q674-A678 WeakPolarHBondContact O-CB 3.27Å; Q674-A678 PolarHBondContact O-N 2.98Å; Q675-A678 PolarHBondContact O-N 3.33Å; V676-A678 PolarHBondContact O-N 3.3Å; A678-R682 WeakPolarHBondContact O-CB 3.45Å; A678-R682 VanDerWaalsContact O-CG 3.23Å; A678-R682 WeakPolarHBondContact O-CG 3.41Å; A678-R682 PolarHBondContact O-N 3.04Å
679	R	83.7	Confident	75.7	Confident	144 Å²	144	81.3 Å²	81.3	54%	0.543	39%	0.385	S	S	.	.	H	α-helix	trans	-67.6	-47.6	175	-171.9	178.1	-67.3	173.9	0.8	111.1	Q675 V676 F677 R682 Q683 F708	Q675-R679 WeakPolarHBondContact O-CB 3.27Å; Q675-R679 PolarHBondContact O-N 2.92Å; V676-R679 WeakPolarHBondContact O-CB 3.49Å; V676-R679 PolarHBondContact O-N 3.35Å; F677-R679 PolarHBondContact O-N 3.49Å; R679-R682 PolarHBondContact O-N 3.39Å; R679-Q683 WeakPolarHBondContact O-CB 3.43Å; R679-Q683 WeakPolarHBondContact O-CG 3.34Å; R679-Q683 PolarHBondContact O-N 3.45Å; R679-F708 HydrophobicContact CG-CZ 4.38Å
680	I	83.5	Confident	77.2	Confident	0 Å²	0	78.4 Å²	78.4	0%	0	37%	0.373	C	S	.	.	H	α-helix	trans	-63.1	-46.2	176.3	-62.7	164.4	0	0	0	109.7	V676 F677 R682 Q683 L684 F703 F708 I712 V713 V716	V676-I680 HydrophobicContact CG1-CD1 3.77Å; V676-I680 HydrophobicContact CG1-CG1 4.38Å; V676-I680 WeakPolarHBondContact O-CG1 3.25Å; V676-I680 PolarHBondContact O-N 2.93Å; F677-I680 PolarHBondContact O-N 3.24Å; I680-R682 PolarHBondContact O-N 3.47Å; I680-Q683 PolarHBondContact O-N 2.98Å; I680-Q683 VanDerWaalsContact O-N 3.12Å; I680-L684 HydrophobicContact CG2-CD1 4.21Å; I680-L684 WeakPolarHBondContact O-CB 2.85Å; I680-L684 PolarHBondContact O-N 3.07Å; I680-F703 HydrophobicContact CG2-CD1 4.4Å; I680-F703 HydrophobicContact CG2-CE1 4.06Å; I680-F703 HydrophobicContact CG2-CZ 4.21Å; I680-F708 HydrophobicContact CD1-CB 4.38Å; I680-F708 HydrophobicContact CD1-CD1 3.88Å; I680-F708 HydrophobicContact CD1-CE1 4.41Å; I680-F708 HydrophobicContact CD1-CG 4.18Å; I680-F708 HydrophobicContact CG1-CD1 3.87Å; I680-F708 HydrophobicContact CG1-CE1 3.96Å; I680-F708 HydrophobicContact CG1-CG 4.15Å; I680-F708 HydrophobicContact CG1-CZ 4.32Å; I680-I712 HydrophobicContact CD1-CB 4.29Å; I680-I712 HydrophobicContact CD1-CG2 3.62Å; I680-V713 HydrophobicContact CD1-CG2 4.27Å; I680-V716 HydrophobicContact CB-CG2 3.99Å; I680-V716 HydrophobicContact CD1-CG2 4.28Å; I680-V716 HydrophobicContact CG2-CB 4.06Å; I680-V716 HydrophobicContact CG2-CG1 3.94Å; I680-V716 HydrophobicContact CG2-CG2 3.86Å
681	E	83.9	Confident	78.3	Confident	28 Å²	28	77.1 Å²	77.1	13%	0.131	37%	0.373	C	S	.	.	H	α-helix	trans	-58.1	-45.2	178.7	-174.9	177.2	176.6	0	0	111.7	F677 L684 K685 V716 L720 R723	F677-E681 WeakPolarHBondContact CE1-OE2 3.41Å; F677-E681 WeakPolarHBondContact O-CB 3.25Å; F677-E681 PolarHBondContact O-N 3.35Å; E681-L684 PolarHBondContact O-N 3.1Å; E681-K685 HydrophobicContact CG-CD 4.14Å; E681-K685 WeakPolarHBondContact O-CB 3.5Å; E681-K685 WeakPolarHBondContact O-CG 3.28Å; E681-K685 PolarHBondContact O-N 3.14Å; E681-K685 WeakPolarHBondContact OE1-CE 3.44Å; E681-K685 IonicContact OE1-NZ 3.17Å; E681-K685 PolarHBondContact OE1-NZ 2.84Å; E681-V716 HydrophobicContact CB-CG1 4.31Å; E681-L720 HydrophobicContact CG-CD2 4.2Å; E681-R723 IonicContact OE1-NH1 2.75Å; E681-R723 PolarHBondContact OE1-NH1 3.14Å; E681-R723 IonicContact OE2-NH1 2.74Å; E681-R723 PolarHBondContact OE2-NH1 3.43Å
682	R	84.6	Confident	79.2	Confident	167 Å²	167	74 Å²	74	63%	0.63	36%	0.359	S	S	*	.	H	α-helix	trans	-64.6	-39.8	175.8	-73.5	174.4	-166.3	162.6	5	112.2	A678 R679 I680 K686	A678-R682 WeakPolarHBondContact O-CB 3.45Å; A678-R682 VanDerWaalsContact O-CG 3.23Å; A678-R682 WeakPolarHBondContact O-CG 3.41Å; A678-R682 PolarHBondContact O-N 3.04Å; R679-R682 PolarHBondContact O-N 3.39Å; I680-R682 PolarHBondContact O-N 3.47Å; R682-K686 WeakPolarHBondContact O-CB 3.27Å; R682-K686 VanDerWaalsContact O-CG 3.29Å; R682-K686 WeakPolarHBondContact O-CG 3.38Å; R682-K686 PolarHBondContact O-N 3.39Å
683	Q	84.3	Confident	80	Confident	59 Å²	59	73.4 Å²	73.4	28%	0.276	35%	0.353	S	S	.	.	H	α-helix	trans	-66.5	-42.9	176.8	-77.4	179	-37.5	0	0	111.3	R679 I680 K686 R687 F703	R679-Q683 WeakPolarHBondContact O-CB 3.43Å; R679-Q683 WeakPolarHBondContact O-CG 3.34Å; R679-Q683 PolarHBondContact O-N 3.45Å; I680-Q683 PolarHBondContact O-N 2.98Å; I680-Q683 VanDerWaalsContact O-N 3.12Å; Q683-K686 PolarHBondContact O-N 3.17Å; Q683-R687 WeakPolarHBondContact O-CB 3.4Å; Q683-R687 VanDerWaalsContact O-CG 3.27Å; Q683-R687 WeakPolarHBondContact O-CG 3.18Å; Q683-R687 PolarHBondContact O-N 2.89Å; Q683-F703 HydrophobicContact CB-CE1 3.91Å; Q683-F703 HydrophobicContact CB-CZ 4.12Å
684	L	82.6	Confident	80.7	Confident	3 Å²	3	73.2 Å²	73.2	2%	0.016	35%	0.354	C	S	.	.	H	α-helix	trans	-62.6	-45.4	177.2	-133.8	128.7	0	0	0	110.7	I680 E681 K686 R687 L688 V699 F703 L717 L720 L726	I680-L684 HydrophobicContact CG2-CD1 4.21Å; I680-L684 WeakPolarHBondContact O-CB 2.85Å; I680-L684 PolarHBondContact O-N 3.07Å; E681-L684 PolarHBondContact O-N 3.1Å; L684-K686 VanDerWaalsContact C-N 3.33Å; L684-K686 PolarHBondContact O-N 2.91Å; L684-R687 PolarHBondContact O-N 2.96Å; L684-L688 HydrophobicContact CD2-CD1 3.41Å; L684-L688 VanDerWaalsContact CD2-CD1 3.41Å; L684-L688 HydrophobicContact CG-CD1 4.04Å; L684-L688 WeakPolarHBondContact O-CB 3.23Å; L684-L688 PolarHBondContact O-N 3.38Å; L684-V699 HydrophobicContact CD1-CG1 4.25Å; L684-F703 HydrophobicContact CB-CZ 4.42Å; L684-F703 HydrophobicContact CD1-CD2 4.47Å; L684-F703 HydrophobicContact CD1-CE2 3.57Å; L684-F703 HydrophobicContact CD1-CZ 3.92Å; L684-F703 HydrophobicContact CG-CE2 4.15Å; L684-F703 HydrophobicContact CG-CZ 4.31Å; L684-L717 HydrophobicContact CD1-CD1 4.31Å; L684-L717 HydrophobicContact CD2-CD1 4.48Å; L684-L720 HydrophobicContact CB-CD1 4.43Å; L684-L720 HydrophobicContact CD2-CD1 3.68Å; L684-L720 HydrophobicContact CG-CD1 4.49Å; L684-L726 HydrophobicContact CD2-CD1 3.76Å
685	K	81.6	Confident	81.5	Confident	72 Å²	72	69.5 Å²	69.5	31%	0.313	34%	0.339	S	S	.	.	H	α-helix	trans	-67.6	-26.2	175.8	-74.8	-179.9	171.9	174	0	113.9	E681 D725 R737	E681-K685 HydrophobicContact CG-CD 4.14Å; E681-K685 WeakPolarHBondContact O-CB 3.5Å; E681-K685 WeakPolarHBondContact O-CG 3.28Å; E681-K685 PolarHBondContact O-N 3.14Å; E681-K685 WeakPolarHBondContact OE1-CE 3.44Å; E681-K685 IonicContact OE1-NZ 3.17Å; E681-K685 PolarHBondContact OE1-NZ 2.84Å; K685-D725 WeakPolarHBondContact CE-OD2 3.29Å; K685-D725 IonicContact NZ-OD2 2.69Å; K685-D725 PolarHBondContact NZ-OD2 3.36Å; K685-D725 VanDerWaalsContact NZ-OD2 3.16Å; K685-R737 PolarHBondContact O-NH1 3.24Å
686	K	82.5	Confident	81.8	Confident	181 Å²	181	65.7 Å²	65.7	79%	0.787	32%	0.321	S	S	*	.	H	α-helix	trans	-79	-35.4	172.8	-77.9	179.6	179.9	-172.9	0	112.5	R682 Q683 L684	R682-K686 WeakPolarHBondContact O-CB 3.27Å; R682-K686 VanDerWaalsContact O-CG 3.29Å; R682-K686 WeakPolarHBondContact O-CG 3.38Å; R682-K686 PolarHBondContact O-N 3.39Å; Q683-K686 PolarHBondContact O-N 3.17Å; L684-K686 VanDerWaalsContact C-N 3.33Å; L684-K686 PolarHBondContact O-N 2.91Å
687	R	75.7	Confident	82	Confident	189 Å²	189	71 Å²	71	71%	0.713	34%	0.343	S	S	*	.	H	α-helix	trans	-79.1	-32.3	-177	-73.4	-72.3	-175.2	175.7	2.3	113.5	Q683 L684 P689	Q683-R687 WeakPolarHBondContact O-CB 3.4Å; Q683-R687 VanDerWaalsContact O-CG 3.27Å; Q683-R687 WeakPolarHBondContact O-CG 3.18Å; Q683-R687 PolarHBondContact O-N 2.89Å; L684-R687 PolarHBondContact O-N 2.96Å; R687-P689 WeakPolarHBondContact O-CD 3.34Å
688	L	77.6	Confident	82.4	Confident	4 Å²	4	74.1 Å²	74.1	2%	0.021	36%	0.36	C	S	.	.	S	Bend	trans	-103	93	-179.7	-71.6	152.9	0	0	0	109.5	L684 V694 L726 R737	L684-L688 HydrophobicContact CD2-CD1 3.41Å; L684-L688 VanDerWaalsContact CD2-CD1 3.41Å; L684-L688 HydrophobicContact CG-CD1 4.04Å; L684-L688 WeakPolarHBondContact O-CB 3.23Å; L684-L688 PolarHBondContact O-N 3.38Å; L688-V694 HydrophobicContact CD2-CB 3.82Å; L688-V694 HydrophobicContact CD2-CG2 3.33Å; L688-V694 HydrophobicContact CG-CG2 4.49Å; L688-L726 HydrophobicContact CD1-CD2 4.23Å; L688-R737 HydrophobicContact CB-CB 4.45Å; L688-R737 WeakPolarHBondContact O-CD 3.29Å; L688-R737 PolarHBondContact O-NH1 3.49Å
689	P	80.6	Confident	82.5	Confident	75 Å²	75	73.2 Å²	73.2	49%	0.487	35%	0.351	S	S	.	.			trans	-62.1	153.4	167.3	13	-13.8	0	0	0	110.8	R687 G691 T692	R687-P689 WeakPolarHBondContact O-CD 3.34Å; P689-G691 PolarHBondContact O-N 3.15Å; P689-T692 WeakPolarHBondContact CG-OG1 3.27Å; P689-T692 PolarHBondContact O-N 2.8Å; P689-T692 VanDerWaalsContact O-N 3.16Å
690	V	81.3	Confident	82.5	Confident	90 Å²	90	67 Å²	67	55%	0.545	33%	0.329	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.9	126	178.5	-178	0	0	0	0	108.8	K739	V690-K739 WeakPolarHBondContact CG2-OXT 2.96Å
691	G	80	Confident	82.5	Confident	39 Å²	39	73.4 Å²	73.4	40%	0.402	36%	0.359	S	S	.	.	T	Hydrogen-bonded Turn	trans	96.9	-7	-177.9	0	0	0	0	0	116.3	P689 Y736 R737	P689-G691 PolarHBondContact O-N 3.15Å; G691-Y736 WeakPolarHBondContact O-CE2 3.32Å; G691-R737 PolarHBondContact N-O 2.7Å; G691-R737 VanDerWaalsContact N-O 3.08Å
692	T	83.2	Confident	82.6	Confident	56 Å²	56	76.1 Å²	76.1	34%	0.344	37%	0.374	S	S	.	.			trans	-85	147.2	177.3	-53.9	0	0	0	0	112	P689 V694 R737	P689-T692 WeakPolarHBondContact CG-OG1 3.27Å; P689-T692 PolarHBondContact O-N 2.8Å; P689-T692 VanDerWaalsContact O-N 3.16Å; T692-V694 HydrophobicContact CG2-CG2 4.16Å; T692-R737 PolarHBondContact O-N 3.16Å
693	Q	84.3	Confident	82.6	Confident	94 Å²	94	68.5 Å²	68.5	44%	0.439	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	130.6	172.6	-65.2	175.9	23.9	0	0	109.4	R729 L735 Y736	Q693-R729 VanDerWaalsContact NE2-NH1 3.18Å; Q693-L735 WeakPolarHBondContact CA-O 3.25Å; Q693-Y736 HydrophobicContact CG-CD2 3.52Å; Q693-Y736 HydrophobicContact CG-CE2 4.28Å; Q693-Y736 HydrophobicContact CG-CG 4.35Å
694	V	83.1	Confident	82.6	Confident	38 Å²	38	69.3 Å²	69.3	23%	0.23	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	143.1	175.4	-173.5	0	0	0	0	109	L688 T692 V699 L735	L688-V694 HydrophobicContact CD2-CB 3.82Å; L688-V694 HydrophobicContact CD2-CG2 3.33Å; L688-V694 HydrophobicContact CG-CG2 4.49Å; T692-V694 HydrophobicContact CG2-CG2 4.16Å; V694-V699 HydrophobicContact CB-CG2 4.24Å; V694-V699 HydrophobicContact CG1-CG2 3.6Å; V694-L735 PolarHBondContact N-O 2.66Å; V694-L735 PolarHBondContact O-N 2.76Å
695	S	84.7	Confident	82.7	Confident	23 Å²	23	73.3 Å²	73.3	16%	0.161	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.2	137.2	175.5	59.7	0	0	0	0	111.2	Q697 I698 V699 K733	S695-Q697 PolarHBondContact O-N 2.88Å; S695-I698 PolarHBondContact O-N 3.05Å; S695-I698 WeakPolarHBondContact OG-CB 3.46Å; S695-I698 WeakPolarHBondContact OG-CD1 3.31Å; S695-I698 WeakPolarHBondContact OG-CG1 3.37Å; S695-V699 PolarHBondContact O-N 3.21Å; S695-K733 WeakPolarHBondContact CA-O 3.3Å
696	E	83.4	Confident	82.7	Confident	31 Å²	31	74 Å²	74	15%	0.145	39%	0.393	C	S	.	.	H	α-helix	trans	-57.3	-37.5	179.1	-174.3	175.6	-176.7	0	0	112.3	V699 L700 Y714 L717 K733 L735	E696-V699 PolarHBondContact O-N 3.4Å; E696-L700 HydrophobicContact CG-CD1 3.96Å; E696-L700 WeakPolarHBondContact O-CG 3.41Å; E696-L700 PolarHBondContact O-N 3.42Å; E696-Y714 WeakPolarHBondContact OE1-CE1 3.38Å; E696-L717 HydrophobicContact CG-CD2 3.88Å; E696-L717 WeakPolarHBondContact OE1-CD2 3.07Å; E696-K733 PolarHBondContact N-O 3.06Å; E696-L735 HydrophobicContact CB-CD1 4.09Å; E696-L735 HydrophobicContact CB-CG 4.32Å; E696-L735 HydrophobicContact CG-CD1 4.29Å
697	Q	82.9	Confident	82.6	Confident	148 Å²	148	68.8 Å²	68.8	69%	0.692	39%	0.389	S	S	*	.	H	α-helix	trans	-64.6	-41	179.9	-69.4	-178.2	-24.2	0	0	113.6	S695 V699 L700 Q701	S695-Q697 PolarHBondContact O-N 2.88Å; Q697-V699 VanDerWaalsContact C-N 3.35Å; Q697-L700 PolarHBondContact O-N 2.9Å; Q697-Q701 WeakPolarHBondContact O-CB 3.43Å; Q697-Q701 WeakPolarHBondContact O-CG 3.46Å; Q697-Q701 PolarHBondContact O-N 3.24Å
698	I	84.8	Confident	82.9	Confident	85 Å²	85	61.2 Å²	61.2	44%	0.436	36%	0.362	S	S	.	.	H	α-helix	trans	-65.5	-43.1	176.5	-66.8	174.1	0	0	0	109.8	S695 L700 Q701 D702	S695-I698 PolarHBondContact O-N 3.05Å; S695-I698 WeakPolarHBondContact OG-CB 3.46Å; S695-I698 WeakPolarHBondContact OG-CD1 3.31Å; S695-I698 WeakPolarHBondContact OG-CG1 3.37Å; I698-L700 VanDerWaalsContact C-N 3.33Å; I698-L700 PolarHBondContact O-N 2.82Å; I698-Q701 PolarHBondContact O-N 3.28Å; I698-D702 WeakPolarHBondContact O-CB 3.22Å; I698-D702 VanDerWaalsContact O-CG 3.28Å; I698-D702 PolarHBondContact O-N 3.23Å
699	V	83.8	Confident	83.1	Confident	11 Å²	11	67.3 Å²	67.3	7%	0.067	39%	0.39	C	S	.	.	H	α-helix	trans	-58.9	-47.4	176.7	178.1	0	0	0	0	110.3	L684 V694 S695 E696 Q697 D702 F703 L717	L684-V699 HydrophobicContact CD1-CG1 4.25Å; V694-V699 HydrophobicContact CB-CG2 4.24Å; V694-V699 HydrophobicContact CG1-CG2 3.6Å; S695-V699 PolarHBondContact O-N 3.21Å; E696-V699 PolarHBondContact O-N 3.4Å; Q697-V699 VanDerWaalsContact C-N 3.35Å; V699-D702 PolarHBondContact O-N 3.32Å; V699-F703 HydrophobicContact CG1-CD2 3.69Å; V699-F703 HydrophobicContact CG1-CE2 3.57Å; V699-F703 WeakPolarHBondContact O-CD2 3.43Å; V699-F703 PolarHBondContact O-N 3.02Å; V699-F703 VanDerWaalsContact O-N 3.13Å; V699-L717 HydrophobicContact CG1-CD1 4.47Å
700	L	84.5	Confident	83.2	Confident	14 Å²	14	68.5 Å²	68.5	7%	0.073	39%	0.389	C	S	.	.	H	α-helix	trans	-61.1	-47.8	177.6	-73	163.4	0	0	0	112	E696 Q697 I698 D702 F703 V704 E710 V713 Y714	E696-L700 HydrophobicContact CG-CD1 3.96Å; E696-L700 WeakPolarHBondContact O-CG 3.41Å; E696-L700 PolarHBondContact O-N 3.42Å; Q697-L700 PolarHBondContact O-N 2.9Å; I698-L700 VanDerWaalsContact C-N 3.33Å; I698-L700 PolarHBondContact O-N 2.82Å; L700-D702 VanDerWaalsContact C-N 3.33Å; L700-D702 PolarHBondContact O-N 2.82Å; L700-F703 PolarHBondContact O-N 3.29Å; L700-V704 WeakPolarHBondContact O-CB 3.41Å; L700-V704 VanDerWaalsContact O-CG2 3.24Å; L700-V704 WeakPolarHBondContact O-CG2 3.44Å; L700-V704 PolarHBondContact O-N 2.73Å; L700-E710 HydrophobicContact CD2-CG 4.33Å; L700-V713 HydrophobicContact CD2-CB 4.27Å; L700-V713 HydrophobicContact CD2-CG1 3.9Å; L700-Y714 HydrophobicContact CD1-CE1 3.93Å; L700-Y714 HydrophobicContact CD1-CE2 4.01Å; L700-Y714 VanDerWaalsContact CD1-CZ 3.46Å; L700-Y714 VanDerWaalsContact CD1-OH 3.24Å; L700-Y714 WeakPolarHBondContact CD1-OH 3.46Å; L700-Y714 HydrophobicContact CD2-CD2 3.97Å; L700-Y714 HydrophobicContact CD2-CE1 4.37Å; L700-Y714 HydrophobicContact CD2-CE2 3.78Å; L700-Y714 HydrophobicContact CD2-CG 4.35Å
701	Q	83.9	Confident	83.1	Confident	135 Å²	135	70.8 Å²	70.8	63%	0.631	39%	0.394	S	S	*	.	H	α-helix	trans	-60.4	-41.8	178.7	-75.9	178.3	-4.4	0	0	112.3	Q697 I698 F703 V704 A705	Q697-Q701 WeakPolarHBondContact O-CB 3.43Å; Q697-Q701 WeakPolarHBondContact O-CG 3.46Å; Q697-Q701 PolarHBondContact O-N 3.24Å; I698-Q701 PolarHBondContact O-N 3.28Å; Q701-F703 VanDerWaalsContact C-N 3.33Å; Q701-F703 PolarHBondContact O-N 3.18Å; Q701-V704 PolarHBondContact O-N 3.43Å; Q701-A705 WeakPolarHBondContact O-CB 3.19Å; Q701-A705 PolarHBondContact O-N 3.42Å
702	D	84.5	Confident	83.2	Confident	84 Å²	84	69.9 Å²	69.9	45%	0.449	38%	0.38	S	S	.	.	H	α-helix	trans	-64.8	-36.5	178.6	-75.5	-13.2	0	0	0	112.6	I698 V699 L700 Q706	I698-D702 WeakPolarHBondContact O-CB 3.22Å; I698-D702 VanDerWaalsContact O-CG 3.28Å; I698-D702 PolarHBondContact O-N 3.23Å; V699-D702 PolarHBondContact O-N 3.32Å; L700-D702 VanDerWaalsContact C-N 3.33Å; L700-D702 PolarHBondContact O-N 2.82Å; D702-Q706 VanDerWaalsContact O-CG 3.31Å; D702-Q706 WeakPolarHBondContact O-CG 3.42Å; D702-Q706 PolarHBondContact O-N 3.1Å; D702-Q706 PolarHBondContact O-NE2 2.98Å
703	F	84.4	Confident	83.2	Confident	8 Å²	8	67.2 Å²	67.2	4%	0.035	36%	0.363	C	S	.	.	H	α-helix	trans	-78.7	-34.6	177.9	-78.3	-67.5	0	0	0	112.5	I680 Q683 L684 V699 L700 Q701 A705 Q706 G707 F708 V713	I680-F703 HydrophobicContact CG2-CD1 4.4Å; I680-F703 HydrophobicContact CG2-CE1 4.06Å; I680-F703 HydrophobicContact CG2-CZ 4.21Å; Q683-F703 HydrophobicContact CB-CE1 3.91Å; Q683-F703 HydrophobicContact CB-CZ 4.12Å; L684-F703 HydrophobicContact CB-CZ 4.42Å; L684-F703 HydrophobicContact CD1-CD2 4.47Å; L684-F703 HydrophobicContact CD1-CE2 3.57Å; L684-F703 HydrophobicContact CD1-CZ 3.92Å; L684-F703 HydrophobicContact CG-CE2 4.15Å; L684-F703 HydrophobicContact CG-CZ 4.31Å; V699-F703 HydrophobicContact CG1-CD2 3.69Å; V699-F703 HydrophobicContact CG1-CE2 3.57Å; V699-F703 WeakPolarHBondContact O-CD2 3.43Å; V699-F703 PolarHBondContact O-N 3.02Å; V699-F703 VanDerWaalsContact O-N 3.13Å; L700-F703 PolarHBondContact O-N 3.29Å; Q701-F703 VanDerWaalsContact C-N 3.33Å; Q701-F703 PolarHBondContact O-N 3.18Å; F703-A705 VanDerWaalsContact C-N 3.32Å; F703-Q706 PolarHBondContact O-N 3.03Å; F703-G707 PolarHBondContact O-N 3.38Å; F703-F708 AromaticContact CD1-CD2 3.85Å; F703-F708 HydrophobicContact CD1-CD2 3.85Å; F703-F708 HydrophobicContact CD1-CE2 4.19Å; F703-F708 PolarHBondContact O-N 3.4Å; F703-F708 VanDerWaalsContact O-N 3.15Å; F703-V713 HydrophobicContact CB-CG1 4.16Å; F703-V713 HydrophobicContact CB-CG2 3.67Å; F703-V713 HydrophobicContact CD2-CG1 3.89Å; F703-V713 HydrophobicContact CG-CG1 4.2Å; F703-V713 HydrophobicContact CG-CG2 4.18Å
704	V	84.7	Confident	83.2	Confident	76 Å²	76	67.6 Å²	67.6	46%	0.461	36%	0.361	S	S	.	.	H	α-helix	trans	-63.7	-40.8	171.1	171.9	0	0	0	0	110.2	L700 Q701 Q706 G707 E710	L700-V704 WeakPolarHBondContact O-CB 3.41Å; L700-V704 VanDerWaalsContact O-CG2 3.24Å; L700-V704 WeakPolarHBondContact O-CG2 3.44Å; L700-V704 PolarHBondContact O-N 2.73Å; Q701-V704 PolarHBondContact O-N 3.43Å; V704-Q706 PolarHBondContact O-N 2.92Å; V704-G707 PolarHBondContact O-N 3.24Å; V704-E710 HydrophobicContact CG2-CB 4.38Å
705	A	85.4	Confident	82.9	Confident	87 Å²	87	69 Å²	69	72%	0.719	36%	0.364	S	S	*	.	H	α-helix	trans	-64.2	-25.5	174.7	0	0	0	0	0	113.5	Q701 F703 G707	Q701-A705 WeakPolarHBondContact O-CB 3.19Å; Q701-A705 PolarHBondContact O-N 3.42Å; F703-A705 VanDerWaalsContact C-N 3.32Å; A705-G707 VanDerWaalsContact C-N 3.3Å
706	Q	81	Confident	82.8	Confident	87 Å²	87	67.9 Å²	67.9	41%	0.407	36%	0.357	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.4	0.1	175.1	-74.1	169.1	56.3	0	0	113.6	D702 F703 V704 F708	D702-Q706 VanDerWaalsContact O-CG 3.31Å; D702-Q706 WeakPolarHBondContact O-CG 3.42Å; D702-Q706 PolarHBondContact O-N 3.1Å; D702-Q706 PolarHBondContact O-NE2 2.98Å; F703-Q706 PolarHBondContact O-N 3.03Å; V704-Q706 PolarHBondContact O-N 2.92Å; Q706-F708 HydrophobicContact CB-CD2 3.8Å; Q706-F708 HydrophobicContact CB-CE2 3.86Å
707	G	81.1	Confident	82.8	Confident	70 Å²	70	66.5 Å²	66.5	72%	0.722	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	83.8	19.5	177.6	0	0	0	0	0	114.7	F703 V704 A705	F703-G707 PolarHBondContact O-N 3.38Å; V704-G707 PolarHBondContact O-N 3.24Å; A705-G707 VanDerWaalsContact C-N 3.3Å
708	F	81.5	Confident	82.7	Confident	31 Å²	31	65.9 Å²	65.9	14%	0.136	34%	0.342	C	S	.	.			trans	-88.9	141.5	171.2	-62.9	-75.7	0	0	0	110.9	V676 R679 I680 F703 Q706 V713	V676-F708 HydrophobicContact CG1-CD1 3.82Å; V676-F708 HydrophobicContact CG1-CE1 4.02Å; R679-F708 HydrophobicContact CG-CZ 4.38Å; I680-F708 HydrophobicContact CD1-CB 4.38Å; I680-F708 HydrophobicContact CD1-CD1 3.88Å; I680-F708 HydrophobicContact CD1-CE1 4.41Å; I680-F708 HydrophobicContact CD1-CG 4.18Å; I680-F708 HydrophobicContact CG1-CD1 3.87Å; I680-F708 HydrophobicContact CG1-CE1 3.96Å; I680-F708 HydrophobicContact CG1-CG 4.15Å; I680-F708 HydrophobicContact CG1-CZ 4.32Å; F703-F708 AromaticContact CD1-CD2 3.85Å; F703-F708 HydrophobicContact CD1-CD2 3.85Å; F703-F708 HydrophobicContact CD1-CE2 4.19Å; F703-F708 PolarHBondContact O-N 3.4Å; F703-F708 VanDerWaalsContact O-N 3.15Å; Q706-F708 HydrophobicContact CB-CD2 3.8Å; Q706-F708 HydrophobicContact CB-CE2 3.86Å; F708-V713 HydrophobicContact CB-CG2 4.09Å
709	E	82.7	Confident	82.4	Confident	131 Å²	131	62.5 Å²	62.5	61%	0.612	33%	0.326	S	S	*	.			trans	-66.3	133.1	173.7	-65.2	-173.5	169.5	0	0	111.4	H711 I712 V713	E709-H711 PolarHBondContact O-N 3.36Å; E709-I712 HydrophobicContact CB-CD1 4.11Å; E709-I712 HydrophobicContact CB-CG1 4.17Å; E709-I712 PolarHBondContact O-N 2.86Å; E709-V713 PolarHBondContact O-N 3.43Å
710	E	81.6	Confident	82.2	Confident	100 Å²	100	62.1 Å²	62.1	47%	0.467	32%	0.323	S	S	.	.	H	α-helix	trans	-54.8	-38.2	-177.9	-172.7	177.1	-178.4	0	0	112.2	L700 V704 I712 V713 Y714	L700-E710 HydrophobicContact CD2-CG 4.33Å; V704-E710 HydrophobicContact CG2-CB 4.38Å; E710-I712 VanDerWaalsContact C-N 3.35Å; E710-I712 PolarHBondContact O-N 3.27Å; E710-V713 PolarHBondContact O-N 2.85Å; E710-Y714 HydrophobicContact CG-CD2 3.81Å; E710-Y714 HydrophobicContact CG-CE2 3.63Å; E710-Y714 WeakPolarHBondContact O-CD2 3.47Å; E710-Y714 PolarHBondContact O-N 3.32Å; E710-Y714 WeakPolarHBondContact OE1-CE2 3.24Å
711	H	79.6	Confident	82	Confident	139 Å²	139	63.1 Å²	63.1	64%	0.644	33%	0.328	S	S	*	.	H	α-helix	trans	-61.1	-39.5	178.4	-68.7	-62.7	0	0	0	113.2	E709 K715	E709-H711 PolarHBondContact O-N 3.36Å; H711-K715 WeakPolarHBondContact O-CG 3.36Å; H711-K715 PolarHBondContact O-N 2.9Å
712	I	82	Confident	81.6	Confident	20 Å²	20	64.3 Å²	64.3	10%	0.103	33%	0.327	C	S	.	.	H	α-helix	trans	-70.5	-38.9	-179.3	-55.7	175.2	0	0	0	109.7	F668 V676 I680 E709 E710 K715 V716	F668-I712 HydrophobicContact CE1-CG2 4.41Å; V676-I712 HydrophobicContact CG1-CD1 4.21Å; V676-I712 HydrophobicContact CG1-CG2 4.1Å; I680-I712 HydrophobicContact CD1-CB 4.29Å; I680-I712 HydrophobicContact CD1-CG2 3.62Å; E709-I712 HydrophobicContact CB-CD1 4.11Å; E709-I712 HydrophobicContact CB-CG1 4.17Å; E709-I712 PolarHBondContact O-N 2.86Å; E710-I712 VanDerWaalsContact C-N 3.35Å; E710-I712 PolarHBondContact O-N 3.27Å; I712-K715 PolarHBondContact O-N 3.44Å; I712-V716 VanDerWaalsContact O-CG2 3.27Å; I712-V716 WeakPolarHBondContact O-CG2 3.16Å; I712-V716 PolarHBondContact O-N 2.89Å
713	V	83.2	Confident	81.2	Confident	0 Å²	0	66.7 Å²	66.7	0%	0	33%	0.33	C	S	.	.	H	α-helix	trans	-64.5	-46.4	178.6	-176.7	0	0	0	0	111.1	I680 L700 F703 F708 E709 E710 K715 V716 L717	I680-V713 HydrophobicContact CD1-CG2 4.27Å; L700-V713 HydrophobicContact CD2-CB 4.27Å; L700-V713 HydrophobicContact CD2-CG1 3.9Å; F703-V713 HydrophobicContact CB-CG1 4.16Å; F703-V713 HydrophobicContact CB-CG2 3.67Å; F703-V713 HydrophobicContact CD2-CG1 3.89Å; F703-V713 HydrophobicContact CG-CG1 4.2Å; F703-V713 HydrophobicContact CG-CG2 4.18Å; F708-V713 HydrophobicContact CB-CG2 4.09Å; E709-V713 PolarHBondContact O-N 3.43Å; E710-V713 PolarHBondContact O-N 2.85Å; V713-K715 VanDerWaalsContact C-N 3.29Å; V713-K715 PolarHBondContact O-N 2.69Å; V713-V716 PolarHBondContact O-N 3.46Å; V713-L717 WeakPolarHBondContact O-CB 3.32Å; V713-L717 PolarHBondContact O-N 2.9Å
714	Y	84.3	Confident	80.9	Confident	102 Å²	102	67.3 Å²	67.3	40%	0.4	34%	0.339	S	S	.	.	H	α-helix	trans	-58.3	-40.6	174.5	-88.9	-69.4	0	0	0	112.3	E696 L700 E710 L717 Y718	E696-Y714 WeakPolarHBondContact OE1-CE1 3.38Å; L700-Y714 HydrophobicContact CD1-CE1 3.93Å; L700-Y714 HydrophobicContact CD1-CE2 4.01Å; L700-Y714 VanDerWaalsContact CD1-CZ 3.46Å; L700-Y714 VanDerWaalsContact CD1-OH 3.24Å; L700-Y714 WeakPolarHBondContact CD1-OH 3.46Å; L700-Y714 HydrophobicContact CD2-CD2 3.97Å; L700-Y714 HydrophobicContact CD2-CE1 4.37Å; L700-Y714 HydrophobicContact CD2-CE2 3.78Å; L700-Y714 HydrophobicContact CD2-CG 4.35Å; E710-Y714 HydrophobicContact CG-CD2 3.81Å; E710-Y714 HydrophobicContact CG-CE2 3.63Å; E710-Y714 WeakPolarHBondContact O-CD2 3.47Å; E710-Y714 PolarHBondContact O-N 3.32Å; E710-Y714 WeakPolarHBondContact OE1-CE2 3.24Å; Y714-L717 WeakPolarHBondContact O-CB 3.45Å; Y714-L717 PolarHBondContact O-N 3.21Å; Y714-Y718 VanDerWaalsContact O-CB 3.32Å; Y714-Y718 WeakPolarHBondContact O-CB 3.3Å; Y714-Y718 PolarHBondContact O-N 2.86Å
715	K	77.1	Confident	80.7	Confident	67 Å²	67	65 Å²	65	29%	0.291	32%	0.323	S	S	.	.	H	α-helix	trans	-63.4	-42.9	176.5	-73.4	-177	-167.1	-156.5	0	112.1	E667 F668 H711 I712 V713 Y718 T719	E667-K715 HydrophobicContact CB-CD 4.49Å; E667-K715 PolarHBondContact O-NZ 3.02Å; E667-K715 WeakPolarHBondContact OE2-CE 3.49Å; E667-K715 IonicContact OE2-NZ 2.98Å; E667-K715 PolarHBondContact OE2-NZ 3.19Å; F668-K715 HydrophobicContact CE1-CD 4.23Å; F668-K715 HydrophobicContact CZ-CB 4.28Å; F668-K715 HydrophobicContact CZ-CD 4.32Å; H711-K715 WeakPolarHBondContact O-CG 3.36Å; H711-K715 PolarHBondContact O-N 2.9Å; I712-K715 PolarHBondContact O-N 3.44Å; V713-K715 VanDerWaalsContact C-N 3.29Å; V713-K715 PolarHBondContact O-N 2.69Å; K715-Y718 PolarHBondContact O-N 3.29Å; K715-T719 WeakPolarHBondContact O-CB 3.42Å; K715-T719 PolarHBondContact O-N 3.49Å; K715-T719 PolarHBondContact O-OG1 3.28Å
716	V	82.6	Confident	80.5	Confident	0 Å²	0	61 Å²	61	0%	0	29%	0.291	C	S	.	.	H	α-helix	trans	-61.1	-46.6	175	177.9	0	0	0	0	110.3	F677 I680 E681 I712 V713 Y718 T719 L720	F677-V716 HydrophobicContact CD2-CB 4.23Å; F677-V716 HydrophobicContact CD2-CG2 3.23Å; F677-V716 HydrophobicContact CE2-CB 3.94Å; F677-V716 HydrophobicContact CE2-CG1 4.34Å; F677-V716 HydrophobicContact CE2-CG2 3.44Å; F677-V716 VanDerWaalsContact CE2-CG2 3.44Å; F677-V716 HydrophobicContact CG-CG2 3.97Å; F677-V716 HydrophobicContact CZ-CG1 4.46Å; F677-V716 HydrophobicContact CZ-CG2 4.26Å; I680-V716 HydrophobicContact CB-CG2 3.99Å; I680-V716 HydrophobicContact CD1-CG2 4.28Å; I680-V716 HydrophobicContact CG2-CB 4.06Å; I680-V716 HydrophobicContact CG2-CG1 3.94Å; I680-V716 HydrophobicContact CG2-CG2 3.86Å; E681-V716 HydrophobicContact CB-CG1 4.31Å; I712-V716 VanDerWaalsContact O-CG2 3.27Å; I712-V716 WeakPolarHBondContact O-CG2 3.16Å; I712-V716 PolarHBondContact O-N 2.89Å; V713-V716 PolarHBondContact O-N 3.46Å; V716-Y718 PolarHBondContact O-N 2.88Å; V716-T719 PolarHBondContact O-N 3.06Å; V716-L720 HydrophobicContact CG1-CD1 3.94Å; V716-L720 HydrophobicContact CG1-CG 4.47Å; V716-L720 WeakPolarHBondContact O-CG 3.34Å; V716-L720 PolarHBondContact O-N 3.37Å
717	L	83.1	Confident	80.6	Confident	1 Å²	1	61.4 Å²	61.4	1%	0.005	29%	0.292	C	S	.	.	H	α-helix	trans	-58.8	-50.3	179	-148.3	94.8	0	0	0	111.5	L684 E696 V699 V713 Y714 T719 L720 L721 L735	L684-L717 HydrophobicContact CD1-CD1 4.31Å; L684-L717 HydrophobicContact CD2-CD1 4.48Å; E696-L717 HydrophobicContact CG-CD2 3.88Å; E696-L717 WeakPolarHBondContact OE1-CD2 3.07Å; V699-L717 HydrophobicContact CG1-CD1 4.47Å; V713-L717 WeakPolarHBondContact O-CB 3.32Å; V713-L717 PolarHBondContact O-N 2.9Å; Y714-L717 WeakPolarHBondContact O-CB 3.45Å; Y714-L717 PolarHBondContact O-N 3.21Å; L717-T719 VanDerWaalsContact C-N 3.28Å; L717-T719 PolarHBondContact O-N 2.98Å; L717-L720 PolarHBondContact O-N 3.47Å; L717-L721 HydrophobicContact CD2-CD1 4.11Å; L717-L721 HydrophobicContact CG-CD1 4.35Å; L717-L721 WeakPolarHBondContact O-CB 3.28Å; L717-L721 WeakPolarHBondContact O-CD1 3.28Å; L717-L721 WeakPolarHBondContact O-CG 3.25Å; L717-L721 PolarHBondContact O-N 3Å; L717-L735 HydrophobicContact CD2-CD1 3.92Å; L717-L735 HydrophobicContact CG-CD2 4.26Å; L717-L735 HydrophobicContact CG-CD1 4.1Å; L717-L735 HydrophobicContact CD2-CD2 3.84Å; L717-L735 HydrophobicContact CD1-CD1 3.62Å; L717-L735 HydrophobicContact CD2-CG 4.43Å
718	Y	81.4	Confident	80.6	Confident	136 Å²	136	61.8 Å²	61.8	53%	0.533	28%	0.275	S	S	.	.	H	α-helix	trans	-61.1	-37.9	178.7	-174	-96.8	0	0	0	111.9	Y714 K715 V716 L721 R722	Y714-Y718 VanDerWaalsContact O-CB 3.32Å; Y714-Y718 WeakPolarHBondContact O-CB 3.3Å; Y714-Y718 PolarHBondContact O-N 2.86Å; K715-Y718 PolarHBondContact O-N 3.29Å; V716-Y718 PolarHBondContact O-N 2.88Å; Y718-L721 PolarHBondContact O-N 3.2Å; Y718-R722 HydrophobicContact CE1-CG 4.09Å; Y718-R722 WeakPolarHBondContact O-CB 3.26Å; Y718-R722 PolarHBondContact O-N 3.33Å; Y718-R722 PolarHBondContact OH-NE 3.05Å
719	T	77.1	Confident	80.4	Confident	14 Å²	14	65.9 Å²	65.9	9%	0.086	29%	0.289	C	S	.	.	H	α-helix	trans	-66.5	-42.2	175.9	-55.8	0	0	0	0	111.6	F677 K715 V716 L717 R722 R723	F677-T719 HydrophobicContact CZ-CG2 3.9Å; K715-T719 WeakPolarHBondContact O-CB 3.42Å; K715-T719 PolarHBondContact O-N 3.49Å; K715-T719 PolarHBondContact O-OG1 3.28Å; V716-T719 PolarHBondContact O-N 3.06Å; L717-T719 VanDerWaalsContact C-N 3.28Å; L717-T719 PolarHBondContact O-N 2.98Å; T719-R722 PolarHBondContact O-N 2.78Å; T719-R723 WeakPolarHBondContact O-CG 3.46Å; T719-R723 PolarHBondContact O-N 3.16Å
720	L	79.9	Confident	79.9	Confident	3 Å²	3	63.9 Å²	63.9	2%	0.016	29%	0.289	C	S	.	.	H	α-helix	trans	-68	-36.2	176.4	-71.8	170.6	0	0	0	112.5	E681 L684 V716 L717 R723 G724 D725 L726	E681-L720 HydrophobicContact CG-CD2 4.2Å; L684-L720 HydrophobicContact CB-CD1 4.43Å; L684-L720 HydrophobicContact CD2-CD1 3.68Å; L684-L720 HydrophobicContact CG-CD1 4.49Å; V716-L720 HydrophobicContact CG1-CD1 3.94Å; V716-L720 HydrophobicContact CG1-CG 4.47Å; V716-L720 WeakPolarHBondContact O-CG 3.34Å; V716-L720 PolarHBondContact O-N 3.37Å; L717-L720 PolarHBondContact O-N 3.47Å; L720-R723 PolarHBondContact O-N 2.8Å; L720-G724 PolarHBondContact O-N 3.03Å; L720-D725 HydrophobicContact CB-CB 4.47Å; L720-D725 HydrophobicContact CD2-CB 4.04Å; L720-D725 WeakPolarHBondContact CD2-OD2 3.46Å; L720-D725 PolarHBondContact O-N 3.23Å; L720-L726 HydrophobicContact CB-CD1 3.73Å; L720-L726 PolarHBondContact O-N 2.74Å; L720-L726 HydrophobicContact CB-CG 4.04Å; L720-L726 HydrophobicContact CD1-CD1 4.02Å
721	L	81.4	Confident	79.5	Confident	34 Å²	34	67.7 Å²	67.7	18%	0.178	31%	0.306	C	S	.	.	H	α-helix	trans	-63	-41.7	171.2	-78.2	154.3	0	0	0	111.7	L717 Y718 G724 L726 H728 L735	L717-L721 HydrophobicContact CD2-CD1 4.11Å; L717-L721 HydrophobicContact CG-CD1 4.35Å; L717-L721 WeakPolarHBondContact O-CB 3.28Å; L717-L721 WeakPolarHBondContact O-CD1 3.28Å; L717-L721 WeakPolarHBondContact O-CG 3.25Å; L717-L721 PolarHBondContact O-N 3Å; Y718-L721 PolarHBondContact O-N 3.2Å; L721-G724 PolarHBondContact O-N 3.03Å; L721-L726 HydrophobicContact CD2-CB 4.22Å; L721-L726 HydrophobicContact CG-CB 4.24Å; L721-H728 WeakPolarHBondContact CD1-CE1 3.37Å; L721-H728 WeakPolarHBondContact CD1-NE2 3.42Å; L721-H728 WeakPolarHBondContact CD2-CE1 3.39Å; L721-H728 WeakPolarHBondContact CD2-ND1 3.5Å; L721-L735 HydrophobicContact CD1-CD2 4.43Å; L721-L735 HydrophobicContact CD2-CD2 4.35Å
722	R	74.9	Confident	79	Confident	161 Å²	161	69.8 Å²	69.8	61%	0.608	31%	0.309	S	S	*	.	H	α-helix	trans	-68	-38	175.3	-91.7	-171.5	165.1	-159.4	-2.2	113.4	Y718 T719 G724	Y718-R722 HydrophobicContact CE1-CG 4.09Å; Y718-R722 WeakPolarHBondContact O-CB 3.26Å; Y718-R722 PolarHBondContact O-N 3.33Å; Y718-R722 PolarHBondContact OH-NE 3.05Å; T719-R722 PolarHBondContact O-N 2.78Å; R722-G724 PolarHBondContact O-N 3.28Å
723	R	77	Confident	78.7	Confident	133 Å²	133	75.9 Å²	75.9	50%	0.502	33%	0.334	S	S	.	.	H	α-helix	trans	-67.4	-17.3	174.8	-74.2	178.5	-179.8	171.3	1.7	112.4	E681 T719 L720 D725	E681-R723 IonicContact OE1-NH1 2.75Å; E681-R723 PolarHBondContact OE1-NH1 3.14Å; E681-R723 IonicContact OE2-NH1 2.74Å; E681-R723 PolarHBondContact OE2-NH1 3.43Å; T719-R723 WeakPolarHBondContact O-CG 3.46Å; T719-R723 PolarHBondContact O-N 3.16Å; L720-R723 PolarHBondContact O-N 2.8Å; R723-D725 VanDerWaalsContact C-N 3.31Å
724	G	77.5	Confident	78.6	Confident	22 Å²	22	79.1 Å²	79.1	23%	0.227	35%	0.351	C	S	.	.	T	Hydrogen-bonded Turn	trans	78.8	15.1	-175.2	0	0	0	0	0	113.4	L720 L721 R722	L720-G724 PolarHBondContact O-N 3.03Å; L721-G724 PolarHBondContact O-N 3.03Å; R722-G724 PolarHBondContact O-N 3.28Å
725	D	80	Confident	78.5	Confident	26 Å²	26	74.3 Å²	74.3	14%	0.139	33%	0.332	C	S	.	.	S	Bend	trans	-72.7	-36.5	174	-72.3	-2.8	0	0	0	109.9	K685 L720 R723 R737 V738	K685-D725 WeakPolarHBondContact CE-OD2 3.29Å; K685-D725 IonicContact NZ-OD2 2.69Å; K685-D725 PolarHBondContact NZ-OD2 3.36Å; K685-D725 VanDerWaalsContact NZ-OD2 3.16Å; L720-D725 HydrophobicContact CB-CB 4.47Å; L720-D725 HydrophobicContact CD2-CB 4.04Å; L720-D725 WeakPolarHBondContact CD2-OD2 3.46Å; L720-D725 PolarHBondContact O-N 3.23Å; R723-D725 VanDerWaalsContact C-N 3.31Å; D725-R737 WeakPolarHBondContact O-CA 3.21Å; D725-V738 PolarHBondContact O-N 3.43Å
726	L	81.1	Confident	78.8	Confident	5 Å²	5	73.8 Å²	73.8	3%	0.026	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	146.9	177	-62.2	175	0	0	0	110.9	L684 L688 L720 L721 Y736 R737	L684-L726 HydrophobicContact CD2-CD1 3.76Å; L688-L726 HydrophobicContact CD1-CD2 4.23Å; L720-L726 HydrophobicContact CB-CD1 3.73Å; L720-L726 PolarHBondContact O-N 2.74Å; L720-L726 HydrophobicContact CB-CG 4.04Å; L720-L726 HydrophobicContact CD1-CD1 4.02Å; L721-L726 HydrophobicContact CD2-CB 4.22Å; L721-L726 HydrophobicContact CG-CB 4.24Å; L726-Y736 CarbonylContact C-O 3.5Å; L726-Y736 WeakPolarHBondContact CA-O 3.33Å; L726-R737 HydrophobicContact CD2-CB 3.86Å; L726-R737 HydrophobicContact CD2-CG 4.1Å
727	H	83.2	Confident	78.7	Confident	94 Å²	94	75.3 Å²	75.3	44%	0.435	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	139.6	171.4	-80	-94.9	0	0	0	110.8	Y736 V738	H727-Y736 PolarHBondContact N-O 2.94Å; H727-Y736 PolarHBondContact O-N 3.06Å; H727-V738 HydrophobicContact CB-CG2 4.32Å; H727-V738 WeakPolarHBondContact CD2-CG2 3.34Å
728	H	82.5	Confident	78.4	Confident	78 Å²	78	78.2 Å²	78.2	36%	0.361	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.1	131	169	-67.7	117.7	0	0	0	110.7	L721 R732 M734	L721-H728 WeakPolarHBondContact CD1-CE1 3.37Å; L721-H728 WeakPolarHBondContact CD1-NE2 3.42Å; L721-H728 WeakPolarHBondContact CD2-CE1 3.39Å; L721-H728 WeakPolarHBondContact CD2-ND1 3.5Å; H728-R732 HydrophobicContact CB-CG 4.48Å; H728-M734 WeakPolarHBondContact CA-O 3.25Å
729	R	76.4	Confident	77.5	Confident	118 Å²	118	79.6 Å²	79.6	45%	0.445	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	160.1	165.1	-78.5	-171.4	172.1	-177.7	-1.8	109.9	Q693 M734	Q693-R729 VanDerWaalsContact NE2-NH1 3.18Å; R729-M734 HydrophobicContact CB-CB 4.42Å; R729-M734 PolarHBondContact N-O 3.44Å; R729-M734 PolarHBondContact O-N 3.4Å
730	C	71	Confident	77.5	Confident	88 Å²	88	82.9 Å²	82.9	60%	0.595	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.4	64.3	177.2	-60.8	0	0	0	0	113.9	R732 K733 M734	C730-R732 PolarHBondContact O-N 3.05Å; C730-R732 VanDerWaalsContact C-N 3.35Å; C730-K733 WeakPolarHBondContact O-CB 3.38Å; C730-K733 PolarHBondContact O-N 3.06Å; C730-M734 HydrophobicContact CB-CG 4.38Å
731	Q	74	Confident	77.4	Confident	180 Å²	180	87.1 Å²	87.1	84%	0.841	39%	0.393	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.3	47	175.8	-61.2	179.4	-9.6	0	0	113.7	K733	Q731-K733 PolarHBondContact O-N 3.41Å
732	R	69.2	Low	77.2	Confident	183 Å²	183	90 Å²	90	69%	0.691	41%	0.405	S	S	*	.	T	Hydrogen-bonded Turn	trans	65.9	7	-178.6	-55.1	179.9	176.6	177.2	-1.6	115.9	H728 C730	H728-R732 HydrophobicContact CB-CG 4.48Å; C730-R732 PolarHBondContact O-N 3.05Å; C730-R732 VanDerWaalsContact C-N 3.35Å
733	K	75.1	Confident	77.3	Confident	148 Å²	148	85.8 Å²	85.8	64%	0.643	39%	0.393	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79	-27.2	178.7	-64.1	-174	178.3	-177.9	0	113.6	S695 E696 C730 Q731	S695-K733 WeakPolarHBondContact CA-O 3.3Å; E696-K733 PolarHBondContact N-O 3.06Å; C730-K733 WeakPolarHBondContact O-CB 3.38Å; C730-K733 PolarHBondContact O-N 3.06Å; Q731-K733 PolarHBondContact O-N 3.41Å
734	M	81.2	Confident	77.3	Confident	69 Å²	69	82.9 Å²	82.9	34%	0.34	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	137.5	-175	-65	-67.3	-160	0	0	111.4	H728 R729 C730	H728-M734 WeakPolarHBondContact CA-O 3.25Å; R729-M734 HydrophobicContact CB-CB 4.42Å; R729-M734 PolarHBondContact N-O 3.44Å; R729-M734 PolarHBondContact O-N 3.4Å; C730-M734 HydrophobicContact CB-CG 4.38Å
735	L	83.1	Confident	77.3	Confident	0 Å²	0	86.9 Å²	86.9	0%	0	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	127.2	171.5	-63.2	161.3	0	0	0	108.9	Q693 V694 E696 L717 L721	Q693-L735 WeakPolarHBondContact CA-O 3.25Å; V694-L735 PolarHBondContact N-O 2.66Å; V694-L735 PolarHBondContact O-N 2.76Å; E696-L735 HydrophobicContact CB-CD1 4.09Å; E696-L735 HydrophobicContact CB-CG 4.32Å; E696-L735 HydrophobicContact CG-CD1 4.29Å; L717-L735 HydrophobicContact CD2-CD1 3.92Å; L717-L735 HydrophobicContact CG-CD2 4.26Å; L717-L735 HydrophobicContact CG-CD1 4.1Å; L717-L735 HydrophobicContact CD2-CD2 3.84Å; L717-L735 HydrophobicContact CD1-CD1 3.62Å; L717-L735 HydrophobicContact CD2-CG 4.43Å; L721-L735 HydrophobicContact CD1-CD2 4.43Å; L721-L735 HydrophobicContact CD2-CD2 4.35Å
736	Y	82.6	Confident	77.1	Confident	57 Å²	57	91.3 Å²	91.3	22%	0.224	42%	0.415	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	124.6	177	179	-114.9	0	0	0	109.7	G691 Q693 L726 H727 V738	G691-Y736 WeakPolarHBondContact O-CE2 3.32Å; Q693-Y736 HydrophobicContact CG-CD2 3.52Å; Q693-Y736 HydrophobicContact CG-CE2 4.28Å; Q693-Y736 HydrophobicContact CG-CG 4.35Å; L726-Y736 CarbonylContact C-O 3.5Å; L726-Y736 WeakPolarHBondContact CA-O 3.33Å; H727-Y736 PolarHBondContact N-O 2.94Å; H727-Y736 PolarHBondContact O-N 3.06Å; Y736-V738 HydrophobicContact CD1-CG2 3.52Å; Y736-V738 HydrophobicContact CE1-CG2 3.62Å
737	R	81.7	Confident	76.8	Confident	32 Å²	32	97.9 Å²	97.9	12%	0.121	45%	0.445	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87	118.3	178	-170	177.7	178.2	-174.4	-7	111.2	K685 L688 G691 T692 D725 L726 K739	K685-R737 PolarHBondContact O-NH1 3.24Å; L688-R737 HydrophobicContact CB-CB 4.45Å; L688-R737 WeakPolarHBondContact O-CD 3.29Å; L688-R737 PolarHBondContact O-NH1 3.49Å; G691-R737 PolarHBondContact N-O 2.7Å; G691-R737 VanDerWaalsContact N-O 3.08Å; T692-R737 PolarHBondContact O-N 3.16Å; D725-R737 WeakPolarHBondContact O-CA 3.21Å; L726-R737 HydrophobicContact CD2-CB 3.86Å; L726-R737 HydrophobicContact CD2-CG 4.1Å; R737-K739 WeakPolarHBondContact CG-O 3.29Å; R737-K739 PolarHBondContact NE-O 2.88Å; R737-K739 PolarHBondContact NH2-O 3.04Å
738	V	75.3	Confident	76.3	Confident	61 Å²	61	98.3 Å²	98.3	37%	0.37	45%	0.446	S	S	.	.			trans	-96.2	-30.4	-178.5	178.6	0	0	0	0	112.2	D725 H727 Y736	D725-V738 PolarHBondContact O-N 3.43Å; H727-V738 HydrophobicContact CB-CG2 4.32Å; H727-V738 WeakPolarHBondContact CD2-CG2 3.34Å; Y736-V738 HydrophobicContact CD1-CG2 3.52Å; Y736-V738 HydrophobicContact CE1-CG2 3.62Å
739	K	63.4	Low	75.7	Confident	165 Å²	165	100.1 Å²	100.1	72%	0.717	45%	0.453	S	S	*	.			trans	-132	0	-177.1	-71.3	-176.9	177.9	176.3	0	113.8	V690 R737	V690-K739 WeakPolarHBondContact CG2-OXT 2.96Å; R737-K739 WeakPolarHBondContact CG-O 3.29Å; R737-K739 PolarHBondContact NE-O 2.88Å; R737-K739 PolarHBondContact NH2-O 3.04Å

Retrieved 739 of 739 residues in 326.3 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).