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procollagen-proline 4-dioxygenase

Catalyzes the post-translational formation of 4-hydroxyproline in -Xaa-Pro-Gly- sequences in collagens and other proteins.

AlphaFold DB , UniProt , Accession G4VTC9, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 584 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	37	Very low	39.9	Very low	246 Å²	246	158.8 Å²	158.8	100%	1.212	86%	0.855	S	S	*	*				0	133.6	0	-75.8	-143.6	-107.4	0	0	107.6
2	A	40.1	Very low	40	Very low	96 Å²	96	158.4 Å²	158.4	79%	0.793	85%	0.851	S	S	*	*			trans	93.3	98.8	-167.3	0	0	0	0	0	113.8
3	L	38.7	Very low	40.1	Very low	179 Å²	179	157.2 Å²	157.2	94%	0.937	84%	0.843	S	S	*	*	S	Bend	trans	168.2	4.1	141.3	-89.8	160.6	0	0	0	114.7
4	L	40.2	Very low	40.2	Very low	176 Å²	176	158 Å²	158	92%	0.921	84%	0.835	S	S	*	*	S	Bend	trans	-113.4	21.9	-174.6	-87.9	158.1	0	0	0	116.4
5	S	39.1	Very low	40.4	Very low	113 Å²	113	159.9 Å²	159.9	79%	0.79	84%	0.838	S	S	*	*			trans	-126.1	27.1	-170.8	-50.7	0	0	0	0	116.6
6	F	38.7	Very low	40.7	Very low	191 Å²	191	158 Å²	158	84%	0.838	82%	0.823	S	S	*	*	S	Bend	trans	-125.1	21.1	-171.4	-105.6	-79.1	0	0	0	118.4
7	T	42.4	Very low	40.8	Very low	125 Å²	125	159.6 Å²	159.6	77%	0.767	82%	0.822	S	S	*	*	S	Bend	trans	-124.9	10.8	179.7	52.5	0	0	0	0	116.2
8	V	42.4	Very low	41.2	Very low	131 Å²	131	163.6 Å²	163.6	79%	0.794	83%	0.827	S	S	*	*	S	Bend	trans	-87.3	-9.3	177.6	-179.4	0	0	0	0	113.2
9	T	40.4	Very low	41.5	Very low	110 Å²	110	162.6 Å²	162.6	68%	0.675	82%	0.822	S	S	*	*	S	Bend	trans	-94	3.8	-174.4	40.2	0	0	0	0	116.1
10	W	38.8	Very low	41.8	Very low	216 Å²	216	162.2 Å²	162.2	82%	0.818	82%	0.823	S	S	*	*	S	Bend	trans	-103.7	-4.2	-176.3	-119.6	60	0	0	0	116.4
11	L	41.1	Very low	42.5	Very low	164 Å²	164	158 Å²	158	86%	0.859	81%	0.812	S	S	*	*	S	Bend	trans	-95.9	-2.9	-177	-83.3	158.4	0	0	0	115.2
12	L	41.4	Very low	43.4	Very low	154 Å²	154	151.1 Å²	151.1	81%	0.806	78%	0.777	S	S	*	*	S	Bend	trans	-98.9	5.7	-176.6	-77.3	167.4	0	0	0	115.5
13	L	40.6	Very low	44.5	Very low	143 Å²	143	152.9 Å²	152.9	75%	0.749	77%	0.765	S	S	*	*	S	Bend	trans	-104.7	6.1	-175.3	-77.6	171.3	0	0	0	116.4
14	F	42.5	Very low	45.7	Very low	168 Å²	168	152.5 Å²	152.5	74%	0.737	75%	0.752	S	S	*	*			trans	-111.5	52.1	170.5	-77.4	-81.4	0	0	0	112.2	Q16	F14-Q16 PolarHBondContact O-N 3.02Å
15	Q	43.3	Very low	46.9	Very low	186 Å²	186	148.4 Å²	148.4	87%	0.869	73%	0.734	S	S	*	*			trans	-84.6	49.6	152	-77.3	-154	-20.6	0	0	110.1	K17	Q15-K17 VanDerWaalsContact C-N 3.32Å; Q15-K17 PolarHBondContact O-N 3.04Å
16	Q	43.9	Very low	47.9	Very low	130 Å²	130	144.8 Å²	144.8	61%	0.607	71%	0.711	S	S	*	*			trans	-76.7	94.2	172.9	-155.7	162	2.2	0	0	106.2	F14 Y18	F14-Q16 PolarHBondContact O-N 3.02Å; Q16-Y18 PolarHBondContact O-N 3.28Å
17	K	43.6	Very low	49.5	Very low	185 Å²	185	141 Å²	141	80%	0.804	70%	0.703	S	S	*	*			trans	-41.1	108.3	166.2	-78.7	-177.8	172.2	-174.4	0	107	Q15 I19	Q15-K17 VanDerWaalsContact C-N 3.32Å; Q15-K17 PolarHBondContact O-N 3.04Å; K17-I19 VanDerWaalsContact C-N 3.33Å; K17-I19 PolarHBondContact O-N 2.5Å
18	Y	46.7	Very low	51	Low	231 Å²	231	139.4 Å²	139.4	91%	0.906	69%	0.693	S	S	*	*			trans	-63.4	104.4	176.4	-85.4	-90	0	0	0	107	Q16	Q16-Y18 PolarHBondContact O-N 3.28Å
19	I	46.7	Very low	52.5	Low	145 Å²	145	135.5 Å²	135.5	74%	0.744	67%	0.668	S	S	*	*			trans	-47.1	134.2	171.6	-66.3	156.6	0	0	0	107.8	K17 A21	K17-I19 VanDerWaalsContact C-N 3.33Å; K17-I19 PolarHBondContact O-N 2.5Å; I19-A21 PolarHBondContact O-N 3.03Å
20	N	48.6	Very low	54.3	Low	154 Å²	154	134.6 Å²	134.6	82%	0.824	66%	0.658	S	S	*	*			trans	-42	100.1	173.2	-70.3	-41.3	0	0	0	110.2	E22	N20-E22 PolarHBondContact O-N 3.2Å
21	A	56.7	Low	56.2	Low	74 Å²	74	127 Å²	127	61%	0.612	64%	0.636	S	S	*	*			trans	-69.5	117.3	179.2	0	0	0	0	0	107.7	I19 Y23	I19-A21 PolarHBondContact O-N 3.03Å; A21-Y23 WeakPolarHBondContact O-CD2 3.1Å; A21-Y23 PolarHBondContact O-N 3.16Å
22	E	56.5	Low	58.1	Low	102 Å²	102	124.4 Å²	124.4	48%	0.477	62%	0.617	S	S	.	*			trans	-70.8	90.4	179.3	-68.7	-172.1	139.9	0	0	110.1	N20 Y24 T25	N20-E22 PolarHBondContact O-N 3.2Å; E22-Y24 HydrophobicContact CB-CD1 3.89Å; E22-Y24 HydrophobicContact CB-CE1 3.54Å; E22-Y24 VanDerWaalsContact CD-CZ 3.49Å; E22-Y24 HydrophobicContact CG-CD1 4.44Å; E22-Y24 HydrophobicContact CG-CE1 3.65Å; E22-Y24 PolarHBondContact O-N 3.11Å; E22-Y24 PolarHBondContact OE1-OH 3.33Å; E22-Y24 PolarHBondContact OE2-OH 2.94Å; E22-T25 HydrophobicContact CB-CG2 3.66Å; E22-T25 PolarHBondContact O-N 3.48Å; E22-T25 PolarHBondContact O-OG1 3.07Å; E22-T25 WeakPolarHBondContact OE2-CG2 3.46Å
23	Y	62.1	Low	60.1	Low	133 Å²	133	118.6 Å²	118.6	52%	0.522	59%	0.592	S	S	.	*	G	3₁₀ helix	trans	-51.7	-26.9	178.9	-76.1	-83.9	0	0	0	113.6	A21 T25 D29 I30 A33	A21-Y23 WeakPolarHBondContact O-CD2 3.1Å; A21-Y23 PolarHBondContact O-N 3.16Å; Y23-T25 VanDerWaalsContact C-N 3.3Å; Y23-T25 PolarHBondContact O-N 3.02Å; Y23-D29 HydrophobicContact CD1-CB 4.06Å; Y23-I30 VanDerWaalsContact O-CG1 3.28Å; Y23-I30 WeakPolarHBondContact O-CG1 3.37Å; Y23-A33 HydrophobicContact CD1-CB 4.02Å; Y23-A33 HydrophobicContact CE1-CB 3.72Å
24	Y	65	Low	62.1	Low	172 Å²	172	120 Å²	120	68%	0.675	59%	0.587	S	S	*	*	G	3₁₀ helix	trans	-75.7	-13.2	-178	72	-92.3	0	0	0	114.2	E22 A26	E22-Y24 HydrophobicContact CB-CD1 3.89Å; E22-Y24 HydrophobicContact CB-CE1 3.54Å; E22-Y24 VanDerWaalsContact CD-CZ 3.49Å; E22-Y24 HydrophobicContact CG-CD1 4.44Å; E22-Y24 HydrophobicContact CG-CE1 3.65Å; E22-Y24 PolarHBondContact O-N 3.11Å; E22-Y24 PolarHBondContact OE1-OH 3.33Å; E22-Y24 PolarHBondContact OE2-OH 2.94Å; Y24-A26 VanDerWaalsContact C-N 3.34Å
25	T	64.4	Low	64	Low	89 Å²	89	119.5 Å²	119.5	55%	0.546	58%	0.581	S	S	.	*	G	3₁₀ helix	trans	-72.9	-25.8	-178.7	56.6	0	0	0	0	113.1	E22 Y23	E22-T25 HydrophobicContact CB-CG2 3.66Å; E22-T25 PolarHBondContact O-N 3.48Å; E22-T25 PolarHBondContact O-OG1 3.07Å; E22-T25 WeakPolarHBondContact OE2-CG2 3.46Å; Y23-T25 VanDerWaalsContact C-N 3.3Å; Y23-T25 PolarHBondContact O-N 3.02Å
26	A	59	Low	66.1	Low	37 Å²	37	115.2 Å²	115.2	31%	0.306	56%	0.563	S	S	.	*			trans	-147.2	130.7	-179.9	0	0	0	0	0	113	Y24 V28 D29	Y24-A26 VanDerWaalsContact C-N 3.34Å; A26-V28 PolarHBondContact O-N 2.84Å; A26-V28 VanDerWaalsContact O-N 3.09Å; A26-D29 PolarHBondContact O-N 3.25Å
27	V	73.1	Confident	68.3	Low	112 Å²	112	111.3 Å²	111.3	68%	0.679	55%	0.55	S	S	*	*	H	α-helix	trans	-57.8	-26.6	175.6	179	0	0	0	0	112.5	D29 I30 T31	V27-D29 VanDerWaalsContact C-N 3.32Å; V27-D29 PolarHBondContact O-N 3.4Å; V27-I30 PolarHBondContact O-N 3.41Å; V27-T31 PolarHBondContact O-N 3.08Å; V27-T31 PolarHBondContact O-OG1 3.08Å
28	V	74.3	Confident	70.4	Confident	91 Å²	91	108.1 Å²	108.1	55%	0.552	54%	0.538	S	S	*	.	H	α-helix	trans	-61	-40.1	176.9	176.4	0	0	0	0	111.4	A26 T31 K32	A26-V28 PolarHBondContact O-N 2.84Å; A26-V28 VanDerWaalsContact O-N 3.09Å; V28-T31 WeakPolarHBondContact O-CB 3.36Å; V28-T31 PolarHBondContact O-N 3.14Å; V28-K32 WeakPolarHBondContact O-CG 3.28Å; V28-K32 PolarHBondContact O-N 2.89Å
29	D	74.3	Confident	72.5	Confident	50 Å²	50	102.9 Å²	102.9	27%	0.267	52%	0.522	S	S	.	.	H	α-helix	trans	-76.9	-33.1	-179.1	-63.1	-39.2	0	0	0	111.6	Y23 A26 V27 T31 K32 A33	Y23-D29 HydrophobicContact CD1-CB 4.06Å; A26-D29 PolarHBondContact O-N 3.25Å; V27-D29 VanDerWaalsContact C-N 3.32Å; V27-D29 PolarHBondContact O-N 3.4Å; D29-T31 VanDerWaalsContact C-N 3.29Å; D29-T31 PolarHBondContact O-N 3.17Å; D29-K32 PolarHBondContact O-N 2.89Å; D29-K32 IonicContact OD1-NZ 3.8Å; D29-K32 PolarHBondContact OD1-NZ 3.21Å; D29-A33 WeakPolarHBondContact O-CB 3.22Å; D29-A33 PolarHBondContact O-N 3.03Å
30	I	78.5	Confident	74.6	Confident	90 Å²	90	100.7 Å²	100.7	46%	0.462	51%	0.511	S	S	.	.	H	α-helix	trans	-60	-41.7	167.8	-56.2	178.9	0	0	0	110.6	Y23 V27 A33 W34	Y23-I30 VanDerWaalsContact O-CG1 3.28Å; Y23-I30 WeakPolarHBondContact O-CG1 3.37Å; V27-I30 PolarHBondContact O-N 3.41Å; I30-A33 PolarHBondContact O-N 3.3Å; I30-W34 PolarHBondContact O-N 2.88Å
31	T	77.9	Confident	76.8	Confident	58 Å²	58	97.2 Å²	97.2	36%	0.356	50%	0.496	S	S	.	.	H	α-helix	trans	-67	-40	179	-54.3	0	0	0	0	111.9	V27 V28 D29 W34 R35	V27-T31 PolarHBondContact O-N 3.08Å; V27-T31 PolarHBondContact O-OG1 3.08Å; V28-T31 WeakPolarHBondContact O-CB 3.36Å; V28-T31 PolarHBondContact O-N 3.14Å; D29-T31 VanDerWaalsContact C-N 3.29Å; D29-T31 PolarHBondContact O-N 3.17Å; T31-W34 PolarHBondContact O-N 2.95Å; T31-R35 PolarHBondContact O-N 3.2Å; T31-R35 VanDerWaalsContact O-N 3.11Å
32	K	80.6	Confident	78.4	Confident	108 Å²	108	97 Å²	97	47%	0.47	49%	0.489	S	S	.	.	H	α-helix	trans	-62.9	-45.8	172.8	-70.7	173.9	-166.4	153.7	0	111.1	V28 D29 W34 R35 L36	V28-K32 WeakPolarHBondContact O-CG 3.28Å; V28-K32 PolarHBondContact O-N 2.89Å; D29-K32 PolarHBondContact O-N 2.89Å; D29-K32 IonicContact OD1-NZ 3.8Å; D29-K32 PolarHBondContact OD1-NZ 3.21Å; K32-W34 VanDerWaalsContact C-N 3.29Å; K32-W34 PolarHBondContact O-N 3.07Å; K32-R35 PolarHBondContact O-N 3.35Å; K32-L36 WeakPolarHBondContact O-CB 3.37Å; K32-L36 WeakPolarHBondContact O-CG 3.29Å; K32-L36 PolarHBondContact O-N 3.5Å
33	A	83.2	Confident	80.2	Confident	33 Å²	33	97.3 Å²	97.3	27%	0.273	50%	0.495	S	S	.	.	H	α-helix	trans	-58.4	-41.7	176.7	0	0	0	0	0	111.9	Y23 D29 I30 L36 S37	Y23-A33 HydrophobicContact CD1-CB 4.02Å; Y23-A33 HydrophobicContact CE1-CB 3.72Å; D29-A33 WeakPolarHBondContact O-CB 3.22Å; D29-A33 PolarHBondContact O-N 3.03Å; I30-A33 PolarHBondContact O-N 3.3Å; A33-L36 PolarHBondContact O-N 2.93Å; A33-S37 PolarHBondContact O-N 3.14Å
34	W	83	Confident	81.7	Confident	171 Å²	171	95.2 Å²	95.2	65%	0.648	49%	0.492	S	S	*	.	H	α-helix	trans	-60.7	-46	174.8	179.7	-93.4	0	0	0	112.3	I30 T31 K32 S37 Q38	I30-W34 PolarHBondContact O-N 2.88Å; T31-W34 PolarHBondContact O-N 2.95Å; K32-W34 VanDerWaalsContact C-N 3.29Å; K32-W34 PolarHBondContact O-N 3.07Å; W34-S37 WeakPolarHBondContact O-CB 3.18Å; W34-S37 PolarHBondContact O-N 2.85Å; W34-S37 PolarHBondContact O-OG 3.01Å; W34-Q38 PolarHBondContact O-N 2.63Å
35	R	83.7	Confident	83	Confident	158 Å²	158	91.5 Å²	91.5	60%	0.596	48%	0.484	S	S	*	.	H	α-helix	trans	-63.8	-45.2	176.8	-71.1	179.6	-176	152.5	1.8	112.2	T31 K32 S37 Q38 E39	T31-R35 PolarHBondContact O-N 3.2Å; T31-R35 VanDerWaalsContact O-N 3.11Å; K32-R35 PolarHBondContact O-N 3.35Å; R35-S37 PolarHBondContact O-N 2.95Å; R35-Q38 WeakPolarHBondContact O-CB 3.44Å; R35-Q38 PolarHBondContact O-N 3.03Å; R35-E39 PolarHBondContact O-N 3.01Å; R35-E39 VanDerWaalsContact O-N 3.17Å
36	L	86.4	Confident	84.4	Confident	96 Å²	96	90.6 Å²	90.6	50%	0.503	48%	0.481	S	S	.	.	H	α-helix	trans	-58.4	-34.4	174.5	-73.9	169.6	0	0	0	111.9	K32 A33 Q38 E39 L40	K32-L36 WeakPolarHBondContact O-CB 3.37Å; K32-L36 WeakPolarHBondContact O-CG 3.29Å; K32-L36 PolarHBondContact O-N 3.5Å; A33-L36 PolarHBondContact O-N 2.93Å; L36-Q38 VanDerWaalsContact C-N 3.28Å; L36-Q38 PolarHBondContact O-N 3.35Å; L36-E39 PolarHBondContact O-N 3.02Å; L36-L40 VanDerWaalsContact O-CB 3.28Å; L36-L40 WeakPolarHBondContact O-CB 3.22Å; L36-L40 PolarHBondContact O-N 2.9Å
37	S	90.1	Very high	85.7	Confident	48 Å²	48	95.2 Å²	95.2	34%	0.336	49%	0.491	S	S	.	.	H	α-helix	trans	-64.5	-32.8	175.6	81	0	0	0	0	112.7	A33 W34 R35 V41	A33-S37 PolarHBondContact O-N 3.14Å; W34-S37 WeakPolarHBondContact O-CB 3.18Å; W34-S37 PolarHBondContact O-N 2.85Å; W34-S37 PolarHBondContact O-OG 3.01Å; R35-S37 PolarHBondContact O-N 2.95Å; S37-V41 VanDerWaalsContact O-CG2 3.28Å; S37-V41 WeakPolarHBondContact O-CG2 3.35Å; S37-V41 PolarHBondContact O-N 3.25Å
38	Q	88.6	Confident	86.6	Confident	119 Å²	119	93.7 Å²	93.7	56%	0.556	48%	0.478	S	S	*	.	H	α-helix	trans	-73.2	-40.8	175.9	-64.5	-169.5	-26.7	0	0	112	W34 R35 L36 V41 S42	W34-Q38 PolarHBondContact O-N 2.63Å; R35-Q38 WeakPolarHBondContact O-CB 3.44Å; R35-Q38 PolarHBondContact O-N 3.03Å; L36-Q38 VanDerWaalsContact C-N 3.28Å; L36-Q38 PolarHBondContact O-N 3.35Å; Q38-V41 PolarHBondContact O-N 2.88Å; Q38-S42 PolarHBondContact O-N 2.68Å; Q38-S42 VanDerWaalsContact O-N 3.16Å
39	E	90.1	Very high	87.4	Confident	120 Å²	120	92 Å²	92	56%	0.561	48%	0.475	S	S	*	.	H	α-helix	trans	-61.7	-45.2	173.1	-69	174.6	-170.9	0	0	110.7	R35 L36 V41 S42 D43	R35-E39 PolarHBondContact O-N 3.01Å; R35-E39 VanDerWaalsContact O-N 3.17Å; L36-E39 PolarHBondContact O-N 3.02Å; E39-V41 VanDerWaalsContact C-N 3.31Å; E39-V41 PolarHBondContact O-N 2.96Å; E39-S42 WeakPolarHBondContact O-CA 3.32Å; E39-S42 VanDerWaalsContact O-CB 3.31Å; E39-S42 WeakPolarHBondContact O-CB 3.46Å; E39-S42 PolarHBondContact O-N 2.68Å; E39-D43 PolarHBondContact O-N 3.08Å
40	L	91.6	Very high	88	Confident	99 Å²	99	95.7 Å²	95.7	52%	0.518	49%	0.493	S	S	.	.	H	α-helix	trans	-58.3	-41.1	175.2	179.9	63	0	0	0	112.3	L36 S42 D43 L44	L36-L40 VanDerWaalsContact O-CB 3.28Å; L36-L40 WeakPolarHBondContact O-CB 3.22Å; L36-L40 PolarHBondContact O-N 2.9Å; L40-S42 VanDerWaalsContact C-N 3.31Å; L40-S42 PolarHBondContact O-N 2.72Å; L40-D43 PolarHBondContact O-N 2.85Å; L40-L44 HydrophobicContact CD1-CD1 4.25Å; L40-L44 HydrophobicContact CD1-CG 4.14Å; L40-L44 HydrophobicContact CG-CD1 3.96Å; L40-L44 HydrophobicContact CG-CG 4.31Å; L40-L44 WeakPolarHBondContact O-CB 3.25Å; L40-L44 WeakPolarHBondContact O-CG 3.43Å; L40-L44 PolarHBondContact O-N 2.81Å
41	V	93.6	Very high	88.5	Confident	82 Å²	82	93.6 Å²	93.6	50%	0.497	48%	0.481	S	S	.	.	H	α-helix	trans	-61	-41.1	174.9	166.9	0	0	0	0	111.2	S37 Q38 E39 N45	S37-V41 VanDerWaalsContact O-CG2 3.28Å; S37-V41 WeakPolarHBondContact O-CG2 3.35Å; S37-V41 PolarHBondContact O-N 3.25Å; Q38-V41 PolarHBondContact O-N 2.88Å; E39-V41 VanDerWaalsContact C-N 3.31Å; E39-V41 PolarHBondContact O-N 2.96Å; V41-N45 VanDerWaalsContact O-CG 3.31Å; V41-N45 PolarHBondContact O-N 3.14Å; V41-N45 PolarHBondContact O-ND2 3.05Å; V41-N45 VanDerWaalsContact O-ND2 3.17Å
42	S	90.6	Very high	89.2	Confident	69 Å²	69	96 Å²	96	48%	0.483	49%	0.489	S	S	.	.	H	α-helix	trans	-62.6	-45.9	176.5	-174.5	0	0	0	0	112.1	Q38 E39 L40 N45 S46	Q38-S42 PolarHBondContact O-N 2.68Å; Q38-S42 VanDerWaalsContact O-N 3.16Å; E39-S42 WeakPolarHBondContact O-CA 3.32Å; E39-S42 VanDerWaalsContact O-CB 3.31Å; E39-S42 WeakPolarHBondContact O-CB 3.46Å; E39-S42 PolarHBondContact O-N 2.68Å; L40-S42 VanDerWaalsContact C-N 3.31Å; L40-S42 PolarHBondContact O-N 2.72Å; S42-N45 PolarHBondContact O-N 2.9Å; S42-S46 PolarHBondContact O-N 3.32Å; S42-S46 VanDerWaalsContact O-N 3.1Å; S42-S46 PolarHBondContact O-OG 3.41Å
43	D	93.3	Very high	89.6	Confident	109 Å²	109	92.3 Å²	92.3	58%	0.583	48%	0.481	S	S	*	.	H	α-helix	trans	-64.9	-42.5	178.9	-71.6	-15.2	0	0	0	111.6	E39 L40 N45 S46 Y47	E39-D43 PolarHBondContact O-N 3.08Å; L40-D43 PolarHBondContact O-N 2.85Å; D43-N45 VanDerWaalsContact C-N 3.34Å; D43-N45 PolarHBondContact O-N 3.31Å; D43-S46 PolarHBondContact O-N 3.13Å; D43-Y47 PolarHBondContact O-N 3.01Å
44	L	93.5	Very high	89.8	Confident	89 Å²	89	92.1 Å²	92.1	47%	0.466	47%	0.473	S	S	.	.	H	α-helix	trans	-61.7	-40.6	175.5	-72.8	174	0	0	0	111.8	L40 S46 Y47 I48	L40-L44 HydrophobicContact CD1-CD1 4.25Å; L40-L44 HydrophobicContact CD1-CG 4.14Å; L40-L44 HydrophobicContact CG-CD1 3.96Å; L40-L44 HydrophobicContact CG-CG 4.31Å; L40-L44 WeakPolarHBondContact O-CB 3.25Å; L40-L44 WeakPolarHBondContact O-CG 3.43Å; L40-L44 PolarHBondContact O-N 2.81Å; L44-S46 VanDerWaalsContact C-N 3.32Å; L44-S46 PolarHBondContact O-N 2.92Å; L44-Y47 PolarHBondContact O-N 3.13Å; L44-I48 VanDerWaalsContact O-CG1 3.24Å; L44-I48 WeakPolarHBondContact O-CG1 3.43Å; L44-I48 PolarHBondContact O-N 3.46Å
45	N	93.8	Very high	90	Very high	94 Å²	94	87.3 Å²	87.3	50%	0.503	46%	0.46	S	S	.	.	H	α-helix	trans	-63.6	-38.9	175.7	-76.1	-32.8	0	0	0	112.2	V41 S42 D43 I48 A49	V41-N45 VanDerWaalsContact O-CG 3.31Å; V41-N45 PolarHBondContact O-N 3.14Å; V41-N45 PolarHBondContact O-ND2 3.05Å; V41-N45 VanDerWaalsContact O-ND2 3.17Å; S42-N45 PolarHBondContact O-N 2.9Å; D43-N45 VanDerWaalsContact C-N 3.34Å; D43-N45 PolarHBondContact O-N 3.31Å; N45-I48 PolarHBondContact O-N 3.4Å; N45-A49 PolarHBondContact O-N 3.47Å
46	S	92.3	Very high	90.4	Very high	69 Å²	69	83.5 Å²	83.5	48%	0.483	45%	0.451	S	S	.	.	H	α-helix	trans	-67.9	-40.2	176.4	-68	0	0	0	0	111.9	S42 D43 L44 A49 L50	S42-S46 PolarHBondContact O-N 3.32Å; S42-S46 VanDerWaalsContact O-N 3.1Å; S42-S46 PolarHBondContact O-OG 3.41Å; D43-S46 PolarHBondContact O-N 3.13Å; L44-S46 VanDerWaalsContact C-N 3.32Å; L44-S46 PolarHBondContact O-N 2.92Å; S46-A49 PolarHBondContact O-N 2.7Å; S46-L50 WeakPolarHBondContact O-CG 3.47Å; S46-L50 PolarHBondContact O-N 2.96Å; S46-L50 VanDerWaalsContact O-N 3.15Å
47	Y	88.3	Confident	90.4	Very high	134 Å²	134	85.4 Å²	85.4	53%	0.525	45%	0.452	S	S	.	.	H	α-helix	trans	-61.5	-44.9	173.1	-179.3	-95	0	0	0	112.1	D43 L44 A49 L50 E51	D43-Y47 PolarHBondContact O-N 3.01Å; L44-Y47 PolarHBondContact O-N 3.13Å; Y47-A49 PolarHBondContact O-N 2.9Å; Y47-L50 PolarHBondContact O-N 3.38Å; Y47-E51 HydrophobicContact CD1-CG 4.35Å; Y47-E51 HydrophobicContact CE1-CG 3.8Å; Y47-E51 HydrophobicContact CE2-CG 4.41Å; Y47-E51 PolarHBondContact O-N 3.36Å
48	I	91	Very high	90.2	Very high	80 Å²	80	84.8 Å²	84.8	41%	0.41	45%	0.445	S	S	.	.	H	α-helix	trans	-57.9	-48.1	176.1	-70.3	164.5	0	0	0	110.5	L44 N45 L50 E51 E52	L44-I48 VanDerWaalsContact O-CG1 3.24Å; L44-I48 WeakPolarHBondContact O-CG1 3.43Å; L44-I48 PolarHBondContact O-N 3.46Å; N45-I48 PolarHBondContact O-N 3.4Å; I48-L50 VanDerWaalsContact C-N 3.31Å; I48-L50 PolarHBondContact O-N 3.09Å; I48-E51 PolarHBondContact O-N 2.82Å; I48-E52 HydrophobicContact CG2-CG 4.22Å; I48-E52 WeakPolarHBondContact O-CB 3.36Å; I48-E52 WeakPolarHBondContact O-CG 3.48Å; I48-E52 PolarHBondContact O-N 3.43Å
49	A	91.9	Very high	90.1	Very high	57 Å²	57	86.1 Å²	86.1	47%	0.471	45%	0.445	S	S	.	.	H	α-helix	trans	-60.7	-38.6	-179.7	0	0	0	0	0	112.9	N45 S46 Y47 G53	N45-A49 PolarHBondContact O-N 3.47Å; S46-A49 PolarHBondContact O-N 2.7Å; Y47-A49 PolarHBondContact O-N 2.9Å; A49-G53 PolarHBondContact O-N 3.33Å
50	L	86.2	Confident	89.9	Confident	127 Å²	127	86.4 Å²	86.4	67%	0.665	44%	0.444	S	S	*	.	H	α-helix	trans	-67.2	-42.2	176	-70.6	173.1	0	0	0	112.1	S46 Y47 I48 G53 R54	S46-L50 WeakPolarHBondContact O-CG 3.47Å; S46-L50 PolarHBondContact O-N 2.96Å; S46-L50 VanDerWaalsContact O-N 3.15Å; Y47-L50 PolarHBondContact O-N 3.38Å; I48-L50 VanDerWaalsContact C-N 3.31Å; I48-L50 PolarHBondContact O-N 3.09Å; L50-G53 PolarHBondContact O-N 3.11Å; L50-R54 PolarHBondContact O-N 3Å
51	E	88.1	Confident	89.5	Confident	45 Å²	45	82.1 Å²	82.1	21%	0.21	42%	0.422	C	S	.	.	H	α-helix	trans	-67.1	-40	176.2	-80.6	-59.5	117.6	0	0	112.2	Y47 I48 G53 R54 L55	Y47-E51 HydrophobicContact CD1-CG 4.35Å; Y47-E51 HydrophobicContact CE1-CG 3.8Å; Y47-E51 HydrophobicContact CE2-CG 4.41Å; Y47-E51 PolarHBondContact O-N 3.36Å; I48-E51 PolarHBondContact O-N 2.82Å; E51-G53 VanDerWaalsContact C-N 3.34Å; E51-G53 PolarHBondContact O-N 2.94Å; E51-R54 WeakPolarHBondContact O-CB 3.4Å; E51-R54 PolarHBondContact O-N 3.36Å; E51-R54 IonicContact OE1-NE 3.33Å; E51-R54 PolarHBondContact OE1-NE 2.94Å; E51-R54 IonicContact OE2-CZ 3.69Å; E51-R54 VanDerWaalsContact OE2-CZ 3.26Å; E51-R54 IonicContact OE2-NE 2.79Å; E51-R54 PolarHBondContact OE2-NE 3.43Å; E51-R54 IonicContact OE2-NH2 2.72Å; E51-R54 PolarHBondContact OE2-NH2 3.02Å; E51-L55 WeakPolarHBondContact O-CB 3.43Å; E51-L55 WeakPolarHBondContact O-CG 3.5Å; E51-L55 PolarHBondContact O-N 2.9Å
52	E	92.5	Very high	89	Confident	109 Å²	109	82 Å²	82	51%	0.509	42%	0.421	S	S	.	.	H	α-helix	trans	-60.1	-43.4	171.8	-74.5	-178.9	164.5	0	0	111.5	I48 R54 L55 N56	I48-E52 HydrophobicContact CG2-CG 4.22Å; I48-E52 WeakPolarHBondContact O-CB 3.36Å; I48-E52 WeakPolarHBondContact O-CG 3.48Å; I48-E52 PolarHBondContact O-N 3.43Å; E52-R54 VanDerWaalsContact C-N 3.35Å; E52-R54 PolarHBondContact O-N 3.4Å; E52-L55 PolarHBondContact O-N 3.25Å; E52-N56 WeakPolarHBondContact O-CB 3.45Å; E52-N56 VanDerWaalsContact O-CG 3.25Å; E52-N56 PolarHBondContact O-N 3.13Å; E52-N56 PolarHBondContact O-ND2 3.29Å
53	G	89.7	Confident	88.6	Confident	30 Å²	30	85.7 Å²	85.7	31%	0.309	43%	0.429	S	S	.	.	H	α-helix	trans	-60.4	-41.4	173.6	0	0	0	0	0	112.9	A49 L50 E51 N56 R57	A49-G53 PolarHBondContact O-N 3.33Å; L50-G53 PolarHBondContact O-N 3.11Å; E51-G53 VanDerWaalsContact C-N 3.34Å; E51-G53 PolarHBondContact O-N 2.94Å; G53-N56 PolarHBondContact O-N 2.69Å; G53-R57 PolarHBondContact O-N 2.94Å; G53-R57 VanDerWaalsContact O-N 3.16Å
54	R	86.9	Confident	87.8	Confident	29 Å²	29	82.3 Å²	82.3	11%	0.109	41%	0.412	C	S	.	.	H	α-helix	trans	-62.7	-47.9	174.1	-169.3	-176.5	66.9	76.3	7	111.4	L50 E51 E52 N56 R57 I58 L113 V117	L50-R54 PolarHBondContact O-N 3Å; E51-R54 WeakPolarHBondContact O-CB 3.4Å; E51-R54 PolarHBondContact O-N 3.36Å; E51-R54 IonicContact OE1-NE 3.33Å; E51-R54 PolarHBondContact OE1-NE 2.94Å; E51-R54 IonicContact OE2-CZ 3.69Å; E51-R54 VanDerWaalsContact OE2-CZ 3.26Å; E51-R54 IonicContact OE2-NE 2.79Å; E51-R54 PolarHBondContact OE2-NE 3.43Å; E51-R54 IonicContact OE2-NH2 2.72Å; E51-R54 PolarHBondContact OE2-NH2 3.02Å; E52-R54 VanDerWaalsContact C-N 3.35Å; E52-R54 PolarHBondContact O-N 3.4Å; R54-N56 VanDerWaalsContact C-N 3.33Å; R54-N56 PolarHBondContact O-N 3.23Å; R54-R57 PolarHBondContact O-N 2.84Å; R54-I58 PolarHBondContact O-N 3.22Å; R54-I58 VanDerWaalsContact O-N 3.13Å; R54-L113 HydrophobicContact CG-CD2 3.72Å; R54-L113 PolarHBondContact NH1-O 3.42Å; R54-V117 VanDerWaalsContact CZ-CG2 3.48Å
55	L	88.7	Confident	87	Confident	70 Å²	70	80.8 Å²	80.8	37%	0.366	40%	0.404	S	S	.	.	H	α-helix	trans	-62.1	-38.9	177.8	-70.7	175.5	0	0	0	112	E51 E52 R57 I58 R59	E51-L55 WeakPolarHBondContact O-CB 3.43Å; E51-L55 WeakPolarHBondContact O-CG 3.5Å; E51-L55 PolarHBondContact O-N 2.9Å; E52-L55 PolarHBondContact O-N 3.25Å; L55-R57 PolarHBondContact O-N 2.85Å; L55-I58 PolarHBondContact O-N 3.06Å; L55-R59 WeakPolarHBondContact O-CG 3.47Å; L55-R59 PolarHBondContact O-N 2.82Å
56	N	90.8	Very high	86.1	Confident	78 Å²	78	82 Å²	82	42%	0.417	41%	0.41	S	S	.	.	H	α-helix	trans	-63.7	-39.6	176.5	-75.4	-21.6	0	0	0	112.3	E52 G53 R54 R59 K60	E52-N56 WeakPolarHBondContact O-CB 3.45Å; E52-N56 VanDerWaalsContact O-CG 3.25Å; E52-N56 PolarHBondContact O-N 3.13Å; E52-N56 PolarHBondContact O-ND2 3.29Å; G53-N56 PolarHBondContact O-N 2.69Å; R54-N56 VanDerWaalsContact C-N 3.33Å; R54-N56 PolarHBondContact O-N 3.23Å; N56-R59 PolarHBondContact O-N 2.74Å; N56-R59 PolarHBondContact OD1-NH1 2.9Å; N56-K60 PolarHBondContact O-N 3.49Å
57	R	86	Confident	84.7	Confident	136 Å²	136	82 Å²	82	51%	0.513	41%	0.41	S	S	.	.	H	α-helix	trans	-63.7	-41.5	173.1	-70.8	-177.2	-68.9	-137.6	-0.3	112.3	G53 R54 L55 R59 K60 V61 L113	G53-R57 PolarHBondContact O-N 2.94Å; G53-R57 VanDerWaalsContact O-N 3.16Å; R54-R57 PolarHBondContact O-N 2.84Å; L55-R57 PolarHBondContact O-N 2.85Å; R57-R59 VanDerWaalsContact C-N 3.34Å; R57-R59 PolarHBondContact O-N 3.28Å; R57-K60 WeakPolarHBondContact O-CB 3.29Å; R57-K60 PolarHBondContact O-N 2.91Å; R57-V61 PolarHBondContact O-N 3.46Å; R57-V61 VanDerWaalsContact O-N 3.14Å; R57-L113 HydrophobicContact CB-CD1 3.68Å; R57-L113 HydrophobicContact CB-CD2 4.1Å
58	I	85.9	Confident	83.2	Confident	36 Å²	36	77.9 Å²	77.9	19%	0.185	40%	0.397	C	S	.	.	H	α-helix	trans	-61.9	-43.8	174.3	-65	172.6	0	0	0	110.6	R54 L55 K60 V61 V62 L113	R54-I58 PolarHBondContact O-N 3.22Å; R54-I58 VanDerWaalsContact O-N 3.13Å; L55-I58 PolarHBondContact O-N 3.06Å; I58-K60 VanDerWaalsContact C-N 3.31Å; I58-K60 PolarHBondContact O-N 2.72Å; I58-V61 PolarHBondContact O-N 3.03Å; I58-V61 VanDerWaalsContact O-N 3.15Å; I58-V62 HydrophobicContact CG2-CG2 4.43Å; I58-V62 WeakPolarHBondContact O-CG2 3.43Å; I58-V62 PolarHBondContact O-N 3.35Å; I58-L113 HydrophobicContact CD1-CB 4.16Å; I58-L113 HydrophobicContact CG1-CB 3.85Å; I58-L113 HydrophobicContact CG1-CD1 4.1Å; I58-L113 HydrophobicContact CG1-CG 4.49Å
59	R	88	Confident	81.3	Confident	146 Å²	146	76.5 Å²	76.5	55%	0.551	40%	0.403	S	S	*	.	H	α-helix	trans	-60	-38.6	175.9	-71.8	173	-173.9	150	-2.8	112.3	L55 N56 R57 V62 K63	L55-R59 WeakPolarHBondContact O-CG 3.47Å; L55-R59 PolarHBondContact O-N 2.82Å; N56-R59 PolarHBondContact O-N 2.74Å; N56-R59 PolarHBondContact OD1-NH1 2.9Å; R57-R59 VanDerWaalsContact C-N 3.34Å; R57-R59 PolarHBondContact O-N 3.28Å; R59-V62 PolarHBondContact O-N 3.45Å; R59-K63 WeakPolarHBondContact O-CG 3.2Å; R59-K63 PolarHBondContact O-N 2.79Å
60	K	84.8	Confident	79.6	Confident	127 Å²	127	79.3 Å²	79.3	55%	0.552	42%	0.419	S	S	*	.	H	α-helix	trans	-59.8	-46.4	173.3	-72.5	-169.3	175.4	-157	0	111.3	N56 R57 I58 V62 K63 V64	N56-K60 PolarHBondContact O-N 3.49Å; R57-K60 WeakPolarHBondContact O-CB 3.29Å; R57-K60 PolarHBondContact O-N 2.91Å; I58-K60 VanDerWaalsContact C-N 3.31Å; I58-K60 PolarHBondContact O-N 2.72Å; K60-V62 VanDerWaalsContact C-N 3.34Å; K60-V62 PolarHBondContact O-N 3.36Å; K60-K63 WeakPolarHBondContact O-CB 3.26Å; K60-K63 PolarHBondContact O-N 2.74Å; K60-V64 WeakPolarHBondContact O-CG2 3.31Å; K60-V64 PolarHBondContact O-N 2.87Å; K60-V64 VanDerWaalsContact O-N 3.08Å
61	V	82.6	Confident	78.2	Confident	8 Å²	8	75.9 Å²	75.9	5%	0.048	40%	0.401	C	S	.	.	H	α-helix	trans	-61.8	-41.5	175.9	179.3	0	0	0	0	112	R57 I58 K63 V64 L65 W106 L110	R57-V61 PolarHBondContact O-N 3.46Å; R57-V61 VanDerWaalsContact O-N 3.14Å; I58-V61 PolarHBondContact O-N 3.03Å; I58-V61 VanDerWaalsContact O-N 3.15Å; V61-K63 VanDerWaalsContact C-N 3.35Å; V61-K63 PolarHBondContact O-N 2.92Å; V61-V64 PolarHBondContact O-N 2.96Å; V61-L65 HydrophobicContact CG1-CD1 4.15Å; V61-L65 PolarHBondContact O-N 2.86Å; V61-W106 HydrophobicContact CG1-CD2 3.92Å; V61-W106 HydrophobicContact CG1-CE3 3.48Å; V61-W106 VanDerWaalsContact CG1-CE3 3.48Å; V61-W106 HydrophobicContact CG1-CG 4.41Å; V61-W106 HydrophobicContact CG1-CZ3 3.98Å; V61-W106 HydrophobicContact CG2-CB 4.04Å; V61-L110 HydrophobicContact CG1-CD1 4.17Å; V61-L110 HydrophobicContact CG1-CD2 4.22Å
62	V	83.7	Confident	76.6	Confident	81 Å²	81	75.6 Å²	75.6	49%	0.491	40%	0.404	S	S	.	.	H	α-helix	trans	-59.2	-45.8	175.6	171.7	0	0	0	0	110.8	I58 R59 K60 V64 L65 D66	I58-V62 HydrophobicContact CG2-CG2 4.43Å; I58-V62 WeakPolarHBondContact O-CG2 3.43Å; I58-V62 PolarHBondContact O-N 3.35Å; R59-V62 PolarHBondContact O-N 3.45Å; K60-V62 VanDerWaalsContact C-N 3.34Å; K60-V62 PolarHBondContact O-N 3.36Å; V62-V64 PolarHBondContact O-N 3.43Å; V62-L65 PolarHBondContact O-N 2.78Å; V62-D66 WeakPolarHBondContact O-CB 3.46Å; V62-D66 PolarHBondContact O-N 3.48Å
63	K	82.9	Confident	75	Confident	145 Å²	145	75.6 Å²	75.6	63%	0.63	41%	0.407	S	S	*	.	H	α-helix	trans	-58.6	-45	176.4	-72.2	-179	175.4	-169.2	0	112.4	R59 K60 V61 L65 D66 S67	R59-K63 WeakPolarHBondContact O-CG 3.2Å; R59-K63 PolarHBondContact O-N 2.79Å; K60-K63 WeakPolarHBondContact O-CB 3.26Å; K60-K63 PolarHBondContact O-N 2.74Å; V61-K63 VanDerWaalsContact C-N 3.35Å; V61-K63 PolarHBondContact O-N 2.92Å; K63-L65 VanDerWaalsContact C-N 3.3Å; K63-L65 PolarHBondContact O-N 3.23Å; K63-D66 PolarHBondContact O-N 2.96Å; K63-S67 PolarHBondContact O-N 2.69Å
64	V	76	Confident	73.6	Confident	39 Å²	39	78.7 Å²	78.7	24%	0.236	43%	0.43	C	S	.	.	H	α-helix	trans	-58.8	-43	176.9	173.5	0	0	0	0	111	K60 V61 V62 S67 R101	K60-V64 WeakPolarHBondContact O-CG2 3.31Å; K60-V64 PolarHBondContact O-N 2.87Å; K60-V64 VanDerWaalsContact O-N 3.08Å; V61-V64 PolarHBondContact O-N 2.96Å; V62-V64 PolarHBondContact O-N 3.43Å; V64-S67 PolarHBondContact O-OG 3.39Å; V64-R101 HydrophobicContact CG1-CG 4.07Å
65	L	76.1	Confident	72.6	Confident	57 Å²	57	82 Å²	82	30%	0.298	46%	0.458	S	S	.	.	H	α-helix	trans	-73.8	-36.1	179.1	-74	175.5	0	0	0	113.8	V61 V62 K63 N68 L102 W106	V61-L65 HydrophobicContact CG1-CD1 4.15Å; V61-L65 PolarHBondContact O-N 2.86Å; V62-L65 PolarHBondContact O-N 2.78Å; K63-L65 VanDerWaalsContact C-N 3.3Å; K63-L65 PolarHBondContact O-N 3.23Å; L65-N68 WeakPolarHBondContact O-CB 3.32Å; L65-N68 PolarHBondContact O-ND2 3.11Å; L65-L102 HydrophobicContact CD2-CD2 3.86Å; L65-W106 HydrophobicContact CD1-CH2 3.97Å; L65-W106 HydrophobicContact CD1-CZ3 4.21Å; L65-W106 HydrophobicContact CD2-CH2 3.6Å; L65-W106 HydrophobicContact CD2-CZ2 3.56Å; L65-W106 HydrophobicContact CG-CH2 4.05Å; L65-W106 HydrophobicContact CG-CZ2 4.14Å
66	D	75.7	Confident	71.7	Confident	119 Å²	119	79.4 Å²	79.4	64%	0.636	45%	0.445	S	S	*	.	H	α-helix	trans	-77.3	-21.9	-176.6	-162.3	38.9	0	0	0	112.7	V62 K63 N68 G69	V62-D66 WeakPolarHBondContact O-CB 3.46Å; V62-D66 PolarHBondContact O-N 3.48Å; K63-D66 PolarHBondContact O-N 2.96Å; D66-N68 PolarHBondContact O-N 3Å; D66-G69 PolarHBondContact O-N 2.74Å
67	S	63.4	Low	71	Confident	69 Å²	69	80 Å²	80	48%	0.483	45%	0.452	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.2	-11.8	171.7	65.7	0	0	0	0	114.1	K63 V64 R101	K63-S67 PolarHBondContact O-N 2.69Å; V64-S67 PolarHBondContact O-OG 3.39Å; S67-R101 PolarHBondContact OG-NH1 3.43Å
68	N	55.9	Low	70.4	Confident	47 Å²	47	79.1 Å²	79.1	25%	0.251	46%	0.457	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.3	-23.7	168.7	-76.7	-47.9	0	0	0	115.2	L65 D66 S70 I71 R101	L65-N68 WeakPolarHBondContact O-CB 3.32Å; L65-N68 PolarHBondContact O-ND2 3.11Å; D66-N68 PolarHBondContact O-N 3Å; N68-S70 PolarHBondContact O-N 3.12Å; N68-I71 PolarHBondContact O-N 2.83Å; N68-R101 PolarHBondContact OD1-NH1 3.46Å; N68-R101 VanDerWaalsContact OD1-NH1 3.1Å; N68-R101 PolarHBondContact OD1-NH2 3.02Å
69	G	51.9	Low	69.7	Low	52 Å²	52	81.9 Å²	81.9	54%	0.536	47%	0.472	S	S	.	.	G	3₁₀ helix	trans	-65	-12.8	-164.6	0	0	0	0	0	115.5	D66 I71	D66-G69 PolarHBondContact O-N 2.74Å; G69-I71 VanDerWaalsContact C-N 3.35Å; G69-I71 PolarHBondContact O-N 2.8Å
70	S	55.7	Low	69.1	Low	115 Å²	115	79.5 Å²	79.5	80%	0.804	47%	0.467	S	S	*	.	G	3₁₀ helix	trans	-82.6	-4.5	-175.7	-51.5	0	0	0	0	114.8	N68 S72	N68-S70 PolarHBondContact O-N 3.12Å; S70-S72 VanDerWaalsContact C-N 3.33Å; S70-S72 PolarHBondContact O-N 2.87Å
71	I	57.2	Low	68.6	Low	55 Å²	55	76 Å²	76	28%	0.282	45%	0.453	S	S	.	.	G	3₁₀ helix	trans	-70.3	-29.7	-174.4	-64	171	0	0	0	111.9	N68 G69 L85 Y88	N68-I71 PolarHBondContact O-N 2.83Å; G69-I71 VanDerWaalsContact C-N 3.35Å; G69-I71 PolarHBondContact O-N 2.8Å; I71-L85 HydrophobicContact CD1-CD1 4.04Å; I71-Y88 HydrophobicContact CD1-CD1 3.67Å; I71-Y88 HydrophobicContact CD1-CD2 4.42Å; I71-Y88 HydrophobicContact CD1-CE1 3.8Å; I71-Y88 HydrophobicContact CD1-CG 4.01Å
72	S	55.2	Low	68.5	Low	39 Å²	39	79.2 Å²	79.2	27%	0.273	47%	0.47	S	S	.	.	S	Bend	trans	-131.8	136.3	-176.5	63.9	0	0	0	0	112.9	S70 A74	S70-S72 VanDerWaalsContact C-N 3.33Å; S70-S72 PolarHBondContact O-N 2.87Å; S72-A74 PolarHBondContact O-N 3.05Å
73	D	58.1	Low	68.3	Low	109 Å²	109	78.5 Å²	78.5	58%	0.583	46%	0.463	S	S	*	.			trans	-61.4	128.9	168.9	-174.5	-0.3	0	0	0	109.6	S75 S76	D73-S75 PolarHBondContact O-N 2.93Å; D73-S75 PolarHBondContact OD1-N 2.77Å; D73-S75 PolarHBondContact OD1-OG 3.24Å; D73-S75 PolarHBondContact OD2-OG 2.85Å; D73-S76 WeakPolarHBondContact O-CB 3.4Å; D73-S76 PolarHBondContact O-N 3.46Å; D73-S76 PolarHBondContact O-OG 2.78Å
74	A	60.5	Low	68.2	Low	96 Å²	96	74.1 Å²	74.1	79%	0.793	45%	0.447	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.4	-16.9	179.1	0	0	0	0	0	112.9	S72	S72-A74 PolarHBondContact O-N 3.05Å
75	S	65.4	Low	68.6	Low	97 Å²	97	75.7 Å²	75.7	68%	0.678	45%	0.453	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.4	-14.4	175.4	79.5	0	0	0	0	114.6	D73	D73-S75 PolarHBondContact O-N 2.93Å; D73-S75 PolarHBondContact OD1-N 2.77Å; D73-S75 PolarHBondContact OD1-OG 3.24Å; D73-S75 PolarHBondContact OD2-OG 2.85Å
76	S	70.2	Confident	69	Low	16 Å²	16	75.6 Å²	75.6	11%	0.112	45%	0.451	C	S	.	.	S	Bend	trans	-76.6	152.7	-175.6	63	0	0	0	0	113	D73 Q81	D73-S76 WeakPolarHBondContact O-CB 3.4Å; D73-S76 PolarHBondContact O-N 3.46Å; D73-S76 PolarHBondContact O-OG 2.78Å; S76-Q81 PolarHBondContact O-NE2 3.33Å; S76-Q81 WeakPolarHBondContact OG-CG 3.46Å; S76-Q81 PolarHBondContact OG-NE2 3.33Å
77	T	75.8	Confident	69.5	Low	92 Å²	92	76.2 Å²	76.2	56%	0.564	45%	0.451	S	S	*	.			trans	-69	152	175.6	67	0	0	0	0	110.8	N79 Q80 Q81	T77-N79 PolarHBondContact O-N 2.92Å; T77-N79 VanDerWaalsContact O-N 3.1Å; T77-Q80 WeakPolarHBondContact O-CA 3.43Å; T77-Q80 WeakPolarHBondContact O-CB 3.27Å; T77-Q80 PolarHBondContact O-N 3.3Å; T77-Q80 PolarHBondContact OG1-N 2.58Å; T77-Q81 PolarHBondContact O-N 2.88Å
78	L	74	Confident	70.7	Confident	117 Å²	117	76.4 Å²	76.4	61%	0.613	44%	0.441	S	S	*	.	H	α-helix	trans	-52.5	-36.9	178.1	-177.7	65.8	0	0	0	113	Q81 N82	L78-Q81 PolarHBondContact O-N 3.37Å; L78-N82 WeakPolarHBondContact O-CB 3.22Å; L78-N82 PolarHBondContact O-N 3.19Å; L78-N82 PolarHBondContact O-ND2 2.77Å
79	N	71.3	Confident	72.3	Confident	94 Å²	94	77.2 Å²	77.2	50%	0.503	45%	0.445	S	S	.	.	H	α-helix	trans	-67.7	-37.4	176.7	-74.3	-10.2	0	0	0	112.3	T77 N82 N83	T77-N79 PolarHBondContact O-N 2.92Å; T77-N79 VanDerWaalsContact O-N 3.1Å; N79-N82 PolarHBondContact O-N 3.06Å; N79-N83 WeakPolarHBondContact O-CB 3.47Å; N79-N83 PolarHBondContact O-N 2.78Å; N79-N83 PolarHBondContact O-ND2 2.92Å
80	Q	75.2	Confident	74	Confident	96 Å²	96	75.2 Å²	75.2	45%	0.449	43%	0.425	S	S	.	.	H	α-helix	trans	-67.6	-45.2	175.4	-172.3	173.7	-1.1	0	0	110.7	T77 N82 N83 D84	T77-Q80 WeakPolarHBondContact O-CA 3.43Å; T77-Q80 WeakPolarHBondContact O-CB 3.27Å; T77-Q80 PolarHBondContact O-N 3.3Å; T77-Q80 PolarHBondContact OG1-N 2.58Å; Q80-N82 VanDerWaalsContact C-N 3.29Å; Q80-N82 PolarHBondContact O-N 2.75Å; Q80-N83 PolarHBondContact O-N 3.12Å; Q80-D84 PolarHBondContact O-N 3.31Å
81	Q	74.8	Confident	75.7	Confident	53 Å²	53	70.5 Å²	70.5	25%	0.248	39%	0.39	C	S	.	.	H	α-helix	trans	-55.6	-44.1	173.8	-63.2	179.2	-16.1	0	0	112.1	S76 T77 L78 D84 L85	S76-Q81 PolarHBondContact O-NE2 3.33Å; S76-Q81 WeakPolarHBondContact OG-CG 3.46Å; S76-Q81 PolarHBondContact OG-NE2 3.33Å; T77-Q81 PolarHBondContact O-N 2.88Å; L78-Q81 PolarHBondContact O-N 3.37Å; Q81-D84 PolarHBondContact O-N 3Å; Q81-L85 VanDerWaalsContact O-CB 3.31Å; Q81-L85 WeakPolarHBondContact O-CB 3.28Å; Q81-L85 PolarHBondContact O-N 3.04Å
82	N	78.8	Confident	77.3	Confident	75 Å²	75	68 Å²	68	40%	0.401	38%	0.378	S	S	.	.	H	α-helix	trans	-65.2	-39.7	177	-72.8	-23.3	0	0	0	112.2	L78 N79 Q80 L85 E86	L78-N82 WeakPolarHBondContact O-CB 3.22Å; L78-N82 PolarHBondContact O-N 3.19Å; L78-N82 PolarHBondContact O-ND2 2.77Å; N79-N82 PolarHBondContact O-N 3.06Å; Q80-N82 VanDerWaalsContact C-N 3.29Å; Q80-N82 PolarHBondContact O-N 2.75Å; N82-L85 PolarHBondContact O-N 2.65Å; N82-E86 WeakPolarHBondContact O-CB 3.41Å; N82-E86 WeakPolarHBondContact O-CG 3.29Å; N82-E86 PolarHBondContact O-N 2.72Å
83	N	79.5	Confident	79.2	Confident	66 Å²	66	66.2 Å²	66.2	35%	0.353	37%	0.365	S	S	.	.	H	α-helix	trans	-67.2	-44.7	177	-72.4	-27.6	0	0	0	111.6	N79 Q80 L85 E86 E87	N79-N83 WeakPolarHBondContact O-CB 3.47Å; N79-N83 PolarHBondContact O-N 2.78Å; N79-N83 PolarHBondContact O-ND2 2.92Å; Q80-N83 PolarHBondContact O-N 3.12Å; N83-L85 VanDerWaalsContact C-N 3.26Å; N83-L85 PolarHBondContact O-N 2.81Å; N83-E86 PolarHBondContact O-N 2.74Å; N83-E87 WeakPolarHBondContact O-CB 3.1Å; N83-E87 PolarHBondContact O-N 3.24Å
84	D	82.2	Confident	80.7	Confident	53 Å²	53	61.8 Å²	61.8	28%	0.283	34%	0.342	S	S	.	.	H	α-helix	trans	-61.3	-39	177.4	-61.2	-18.3	0	0	0	110.4	Q80 Q81 E87 Y88	Q80-D84 PolarHBondContact O-N 3.31Å; Q81-D84 PolarHBondContact O-N 3Å; D84-E87 PolarHBondContact O-N 2.84Å; D84-Y88 WeakPolarHBondContact O-CB 3.47Å; D84-Y88 PolarHBondContact O-N 2.91Å
85	L	84	Confident	82.1	Confident	72 Å²	72	57.4 Å²	57.4	38%	0.377	31%	0.305	S	S	.	.	H	α-helix	trans	-69.7	-41.1	174.1	-173.4	65.4	0	0	0	112.6	I71 Q81 N82 N83 E87 Y88 L89	I71-L85 HydrophobicContact CD1-CD1 4.04Å; Q81-L85 VanDerWaalsContact O-CB 3.31Å; Q81-L85 WeakPolarHBondContact O-CB 3.28Å; Q81-L85 PolarHBondContact O-N 3.04Å; N82-L85 PolarHBondContact O-N 2.65Å; N83-L85 VanDerWaalsContact C-N 3.26Å; N83-L85 PolarHBondContact O-N 2.81Å; L85-E87 VanDerWaalsContact C-N 3.27Å; L85-E87 PolarHBondContact O-N 2.94Å; L85-Y88 PolarHBondContact O-N 3.33Å; L85-L89 HydrophobicContact CD1-CD1 3.95Å; L85-L89 HydrophobicContact CD1-CG 4.11Å; L85-L89 HydrophobicContact CD2-CD1 4.47Å; L85-L89 HydrophobicContact CG-CD1 3.86Å; L85-L89 HydrophobicContact CG-CG 4.35Å; L85-L89 VanDerWaalsContact O-CB 3.3Å; L85-L89 WeakPolarHBondContact O-CB 3.43Å; L85-L89 VanDerWaalsContact O-CG 3.3Å; L85-L89 WeakPolarHBondContact O-CG 3.32Å; L85-L89 PolarHBondContact O-N 2.99Å
86	E	85.2	Confident	83.4	Confident	55 Å²	55	52.8 Å²	52.8	26%	0.257	27%	0.273	S	S	.	.	H	α-helix	trans	-61.8	-35.5	173.8	-81.5	-165.6	168.1	0	0	111.6	N82 N83 G90 K397 W554	N82-E86 WeakPolarHBondContact O-CB 3.41Å; N82-E86 WeakPolarHBondContact O-CG 3.29Å; N82-E86 PolarHBondContact O-N 2.72Å; N83-E86 PolarHBondContact O-N 2.74Å; E86-G90 WeakPolarHBondContact O-CA 3.43Å; E86-G90 PolarHBondContact O-N 2.63Å; E86-K397 IonicContact OE2-NZ 3.17Å; E86-K397 PolarHBondContact OE2-NZ 3.09Å; E86-W554 WeakPolarHBondContact OE1-CZ2 3.49Å; E86-W554 PolarHBondContact OE1-NE1 2.93Å; E86-W554 PolarHBondContact OE2-NE1 3.47Å
87	E	85.4	Confident	84.4	Confident	133 Å²	133	53.6 Å²	53.6	62%	0.621	28%	0.276	S	S	*	.	H	α-helix	trans	-71.5	-48.3	175.6	-173.9	171.8	-179.4	0	0	111.2	N83 D84 L85 L89 G90 N91	N83-E87 WeakPolarHBondContact O-CB 3.1Å; N83-E87 PolarHBondContact O-N 3.24Å; D84-E87 PolarHBondContact O-N 2.84Å; L85-E87 VanDerWaalsContact C-N 3.27Å; L85-E87 PolarHBondContact O-N 2.94Å; E87-L89 VanDerWaalsContact C-N 3.34Å; E87-L89 PolarHBondContact O-N 2.96Å; E87-G90 WeakPolarHBondContact O-CA 3.4Å; E87-G90 PolarHBondContact O-N 3.04Å; E87-N91 PolarHBondContact O-N 2.79Å
88	Y	87.9	Confident	84.9	Confident	73 Å²	73	49.9 Å²	49.9	29%	0.286	25%	0.253	S	S	.	.	H	α-helix	trans	-56.8	-46.7	175.8	176.2	-96.8	0	0	0	112	I71 D84 L85 G90 N91 N94	I71-Y88 HydrophobicContact CD1-CD1 3.67Å; I71-Y88 HydrophobicContact CD1-CD2 4.42Å; I71-Y88 HydrophobicContact CD1-CE1 3.8Å; I71-Y88 HydrophobicContact CD1-CG 4.01Å; D84-Y88 WeakPolarHBondContact O-CB 3.47Å; D84-Y88 PolarHBondContact O-N 2.91Å; L85-Y88 PolarHBondContact O-N 3.33Å; Y88-G90 VanDerWaalsContact C-N 3.29Å; Y88-N91 WeakPolarHBondContact O-CB 3.41Å; Y88-N91 PolarHBondContact O-N 3.44Å; Y88-N94 HydrophobicContact CD1-CB 4.32Å; Y88-N94 WeakPolarHBondContact CD2-ND2 3.21Å; Y88-N94 HydrophobicContact CE1-CB 3.93Å; Y88-N94 HydrophobicContact CE2-CB 4.16Å; Y88-N94 VanDerWaalsContact CE2-CG 3.5Å; Y88-N94 VanDerWaalsContact CE2-ND2 3.35Å; Y88-N94 WeakPolarHBondContact CE2-ND2 3.44Å; Y88-N94 WeakPolarHBondContact O-CB 3.38Å; Y88-N94 PolarHBondContact O-ND2 2.8Å
89	L	89.1	Confident	85.6	Confident	64 Å²	64	47.1 Å²	47.1	34%	0.335	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.9	-10.4	177	-63	176.7	0	0	0	113.2	L85 E87 N91 A95 T98	L85-L89 HydrophobicContact CD1-CD1 3.95Å; L85-L89 HydrophobicContact CD1-CG 4.11Å; L85-L89 HydrophobicContact CD2-CD1 4.47Å; L85-L89 HydrophobicContact CG-CD1 3.86Å; L85-L89 HydrophobicContact CG-CG 4.35Å; L85-L89 VanDerWaalsContact O-CB 3.3Å; L85-L89 WeakPolarHBondContact O-CB 3.43Å; L85-L89 VanDerWaalsContact O-CG 3.3Å; L85-L89 WeakPolarHBondContact O-CG 3.32Å; L85-L89 PolarHBondContact O-N 2.99Å; E87-L89 VanDerWaalsContact C-N 3.34Å; E87-L89 PolarHBondContact O-N 2.96Å; L89-N91 PolarHBondContact O-N 2.85Å; L89-A95 WeakPolarHBondContact O-CB 3.47Å; L89-T98 HydrophobicContact CD2-CG2 4.06Å
90	G	88.5	Confident	86.3	Confident	10 Å²	10	44.2 Å²	44.2	10%	0.103	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.4	-19.5	169.5	0	0	0	0	0	112	E86 E87 Y88 A550 G551	E86-G90 WeakPolarHBondContact O-CA 3.43Å; E86-G90 PolarHBondContact O-N 2.63Å; E87-G90 WeakPolarHBondContact O-CA 3.4Å; E87-G90 PolarHBondContact O-N 3.04Å; Y88-G90 VanDerWaalsContact C-N 3.29Å; G90-A550 WeakPolarHBondContact O-CA 3.39Å; G90-G551 PolarHBondContact O-N 3.15Å
91	N	91	Very high	86.7	Confident	16 Å²	16	42 Å²	42	9%	0.086	21%	0.208	C	C	.	.	S	Bend	trans	-78.5	124.7	170.4	178.2	-63.8	0	0	0	110.3	E87 Y88 L89 I93 N94 A95 S194 T195	E87-N91 PolarHBondContact O-N 2.79Å; Y88-N91 WeakPolarHBondContact O-CB 3.41Å; Y88-N91 PolarHBondContact O-N 3.44Å; L89-N91 PolarHBondContact O-N 2.85Å; N91-I93 VanDerWaalsContact C-N 3.34Å; N91-I93 PolarHBondContact O-N 3.28Å; N91-I93 PolarHBondContact OD1-N 2.76Å; N91-I93 VanDerWaalsContact OD1-N 3.11Å; N91-N94 HydrophobicContact CB-CB 3.96Å; N91-N94 WeakPolarHBondContact CB-ND2 3.47Å; N91-N94 PolarHBondContact O-N 2.96Å; N91-N94 PolarHBondContact OD1-N 2.86Å; N91-A95 WeakPolarHBondContact O-CB 3.38Å; N91-A95 PolarHBondContact O-N 3.19Å; N91-S194 PolarHBondContact ND2-O 2.96Å; N91-S194 VanDerWaalsContact ND2-O 3.09Å; N91-T195 WeakPolarHBondContact ND2-CG2 3.43Å; N91-T195 WeakPolarHBondContact OD1-CG2 3.41Å
92	P	92	Very high	87.1	Confident	3 Å²	3	41 Å²	41	2%	0.019	20%	0.204	C	C	.	.	H	α-helix	trans	-67	-32.9	-170	25.2	-34.9	0	0	0	114.3	Y96 L173 L189 L466	P92-Y96 WeakPolarHBondContact O-CB 3.25Å; P92-Y96 PolarHBondContact O-N 3.44Å; P92-L173 HydrophobicContact CB-CD1 3.71Å; P92-L173 HydrophobicContact CG-CD1 4.12Å; P92-L189 HydrophobicContact CG-CD1 4.11Å; P92-L189 HydrophobicContact CG-CD2 3.65Å; P92-L466 HydrophobicContact CB-CD1 3.24Å
93	I	93.3	Very high	87.3	Confident	0 Å²	0	38 Å²	38	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-76.6	-41.9	178.7	-57.4	-55.6	0	0	0	110.4	N91 A95 Y96 L97 I170 T195 P196 L198	N91-I93 VanDerWaalsContact C-N 3.34Å; N91-I93 PolarHBondContact O-N 3.28Å; N91-I93 PolarHBondContact OD1-N 2.76Å; N91-I93 VanDerWaalsContact OD1-N 3.11Å; I93-A95 VanDerWaalsContact C-N 3.29Å; I93-A95 PolarHBondContact O-N 2.73Å; I93-Y96 PolarHBondContact O-N 3.19Å; I93-L97 HydrophobicContact CG2-CD1 3.86Å; I93-L97 HydrophobicContact CG2-CG 4.16Å; I93-L97 WeakPolarHBondContact O-CB 3.39Å; I93-L97 VanDerWaalsContact O-CG 3.29Å; I93-L97 WeakPolarHBondContact O-CG 2.85Å; I93-L97 PolarHBondContact O-N 2.83Å; I93-I170 HydrophobicContact CD1-CD1 3.91Å; I93-I170 HydrophobicContact CD1-CG1 4.4Å; I93-T195 HydrophobicContact CB-CG2 3.99Å; I93-T195 HydrophobicContact CG1-CG2 3.69Å; I93-P196 HydrophobicContact CG2-CB 4.34Å; I93-P196 HydrophobicContact CG2-CG 4.47Å; I93-L198 HydrophobicContact CD1-CD1 4.28Å; I93-L198 HydrophobicContact CG2-CD2 3.71Å; I93-L198 HydrophobicContact CG2-CG 4.24Å
94	N	91.1	Very high	87	Confident	17 Å²	17	36.3 Å²	36.3	9%	0.091	18%	0.183	C	C	.	.	H	α-helix	trans	-56.4	-45.2	171.9	-75.8	-21.1	0	0	0	111.6	Y88 N91 T98 P196	Y88-N94 HydrophobicContact CD1-CB 4.32Å; Y88-N94 WeakPolarHBondContact CD2-ND2 3.21Å; Y88-N94 HydrophobicContact CE1-CB 3.93Å; Y88-N94 HydrophobicContact CE2-CB 4.16Å; Y88-N94 VanDerWaalsContact CE2-CG 3.5Å; Y88-N94 VanDerWaalsContact CE2-ND2 3.35Å; Y88-N94 WeakPolarHBondContact CE2-ND2 3.44Å; Y88-N94 WeakPolarHBondContact O-CB 3.38Å; Y88-N94 PolarHBondContact O-ND2 2.8Å; N91-N94 HydrophobicContact CB-CB 3.96Å; N91-N94 WeakPolarHBondContact CB-ND2 3.47Å; N91-N94 PolarHBondContact O-N 2.96Å; N91-N94 PolarHBondContact OD1-N 2.86Å; N94-T98 WeakPolarHBondContact O-CB 3.17Å; N94-T98 PolarHBondContact O-N 3.49Å; N94-T98 PolarHBondContact O-OG1 3.01Å; N94-P196 WeakPolarHBondContact OD1-CD 3.02Å; N94-P196 WeakPolarHBondContact OD1-CG 3.39Å
95	A	90.4	Very high	86.3	Confident	3 Å²	3	38.1 Å²	38.1	3%	0.025	20%	0.199	C	C	.	.	H	α-helix	trans	-62.2	-47.2	178.6	0	0	0	0	0	111.8	L89 N91 I93 T98 M99 L466	L89-A95 WeakPolarHBondContact O-CB 3.47Å; N91-A95 WeakPolarHBondContact O-CB 3.38Å; N91-A95 PolarHBondContact O-N 3.19Å; I93-A95 VanDerWaalsContact C-N 3.29Å; I93-A95 PolarHBondContact O-N 2.73Å; A95-T98 PolarHBondContact O-N 3.18Å; A95-M99 WeakPolarHBondContact O-CB 3.4Å; A95-M99 VanDerWaalsContact O-CG 3.28Å; A95-M99 WeakPolarHBondContact O-CG 3.26Å; A95-M99 PolarHBondContact O-N 3.39Å; A95-L466 HydrophobicContact CB-CB 4.26Å; A95-L466 HydrophobicContact CB-CD2 3.82Å; A95-L466 HydrophobicContact CB-CG 4.44Å
96	Y	91.9	Very high	85.9	Confident	0 Å²	0	35.5 Å²	35.5	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-59.3	-52	175.3	164.4	-115.5	0	0	0	112.3	P92 I93 T98 M99 K100 V163 A166 V167 I170 L198	P92-Y96 WeakPolarHBondContact O-CB 3.25Å; P92-Y96 PolarHBondContact O-N 3.44Å; I93-Y96 PolarHBondContact O-N 3.19Å; Y96-T98 VanDerWaalsContact C-N 3.28Å; Y96-T98 PolarHBondContact O-N 3.01Å; Y96-M99 PolarHBondContact O-N 3.49Å; Y96-K100 WeakPolarHBondContact O-CB 3.44Å; Y96-K100 PolarHBondContact O-N 3.23Å; Y96-V163 HydrophobicContact CD2-CG1 4.37Å; Y96-V163 HydrophobicContact CE2-CG1 3.82Å; Y96-A166 HydrophobicContact CD2-CB 4.02Å; Y96-V167 HydrophobicContact CD2-CG2 3.9Å; Y96-V167 HydrophobicContact CE2-CG2 3.39Å; Y96-I170 HydrophobicContact CD1-CD1 3.87Å; Y96-I170 HydrophobicContact CD2-CD1 4.34Å; Y96-I170 HydrophobicContact CG-CD1 3.67Å; Y96-L198 HydrophobicContact CD1-CD2 4.12Å; Y96-L198 HydrophobicContact CE1-CD2 4.03Å
97	L	90.2	Very high	85.4	Confident	33 Å²	33	35.2 Å²	35.2	17%	0.173	18%	0.182	C	C	.	.	H	α-helix	trans	-62.6	-36.7	-179.8	-66.9	179	0	0	0	112	I93 K100 R101 P196 L198 Q202	I93-L97 HydrophobicContact CG2-CD1 3.86Å; I93-L97 HydrophobicContact CG2-CG 4.16Å; I93-L97 WeakPolarHBondContact O-CB 3.39Å; I93-L97 VanDerWaalsContact O-CG 3.29Å; I93-L97 WeakPolarHBondContact O-CG 2.85Å; I93-L97 PolarHBondContact O-N 2.83Å; L97-K100 PolarHBondContact O-N 3.04Å; L97-R101 WeakPolarHBondContact O-CB 3.44Å; L97-R101 PolarHBondContact O-N 3.23Å; L97-P196 HydrophobicContact CD1-CB 3.85Å; L97-P196 HydrophobicContact CD1-CG 4.2Å; L97-L198 HydrophobicContact CD1-CD2 4.42Å; L97-L198 HydrophobicContact CD2-CD2 3.87Å; L97-L198 HydrophobicContact CG-CD2 4.27Å; L97-Q202 HydrophobicContact CD2-CG 4.45Å
98	T	87.9	Confident	84.7	Confident	14 Å²	14	32.3 Å²	32.3	9%	0.086	18%	0.176	C	C	.	.	H	α-helix	trans	-65.8	-47.5	174.9	-61.3	0	0	0	0	111.3	L89 N94 A95 Y96 K100 R101 L102	L89-T98 HydrophobicContact CD2-CG2 4.06Å; N94-T98 WeakPolarHBondContact O-CB 3.17Å; N94-T98 PolarHBondContact O-N 3.49Å; N94-T98 PolarHBondContact O-OG1 3.01Å; A95-T98 PolarHBondContact O-N 3.18Å; Y96-T98 VanDerWaalsContact C-N 3.28Å; Y96-T98 PolarHBondContact O-N 3.01Å; T98-K100 VanDerWaalsContact C-N 3.32Å; T98-K100 PolarHBondContact O-N 3.37Å; T98-R101 PolarHBondContact O-N 3.39Å; T98-L102 HydrophobicContact CG2-CD1 3.83Å; T98-L102 HydrophobicContact CG2-CG 4.33Å; T98-L102 WeakPolarHBondContact O-CB 3.48Å; T98-L102 VanDerWaalsContact O-CG 3.26Å; T98-L102 WeakPolarHBondContact O-CG 3.28Å; T98-L102 PolarHBondContact O-N 3.19Å
99	M	87	Confident	84.1	Confident	60 Å²	60	33.4 Å²	33.4	30%	0.296	18%	0.184	S	C	.	.	H	α-helix	trans	-60.4	-44.2	176.4	-71.3	179.5	-161.8	0	0	111	A95 Y96 L102 S103 A166	A95-M99 WeakPolarHBondContact O-CB 3.4Å; A95-M99 VanDerWaalsContact O-CG 3.28Å; A95-M99 WeakPolarHBondContact O-CG 3.26Å; A95-M99 PolarHBondContact O-N 3.39Å; Y96-M99 PolarHBondContact O-N 3.49Å; M99-L102 PolarHBondContact O-N 2.97Å; M99-S103 WeakPolarHBondContact O-CB 3.45Å; M99-S103 PolarHBondContact O-N 2.82Å; M99-S103 PolarHBondContact O-OG 2.84Å; M99-A166 HydrophobicContact SD-CB 3.71Å
100	K	86.7	Confident	83.6	Confident	32 Å²	32	31 Å²	31	14%	0.139	17%	0.172	C	C	.	.	H	α-helix	trans	-57.8	-54.3	177	-172.1	177.1	-177.3	61.9	0	111.6	Y96 L97 T98 L102 S103 S104 V163 E205 E257	Y96-K100 WeakPolarHBondContact O-CB 3.44Å; Y96-K100 PolarHBondContact O-N 3.23Å; L97-K100 PolarHBondContact O-N 3.04Å; T98-K100 VanDerWaalsContact C-N 3.32Å; T98-K100 PolarHBondContact O-N 3.37Å; K100-L102 VanDerWaalsContact C-N 3.32Å; K100-L102 PolarHBondContact O-N 2.84Å; K100-S103 PolarHBondContact O-N 2.83Å; K100-S103 VanDerWaalsContact O-N 3.17Å; K100-S103 PolarHBondContact O-OG 2.82Å; K100-S104 PolarHBondContact O-N 2.91Å; K100-S104 PolarHBondContact O-OG 2.91Å; K100-V163 HydrophobicContact CB-CG1 4.4Å; K100-E205 IonicContact NZ-OE1 3.84Å; K100-E205 PolarHBondContact NZ-OE1 3.38Å; K100-E205 IonicContact NZ-OE2 3.86Å; K100-E205 PolarHBondContact NZ-OE2 3.27Å; K100-E257 WeakPolarHBondContact CE-OE1 3.37Å
101	R	84.3	Confident	82.8	Confident	50 Å²	50	32.7 Å²	32.7	19%	0.189	18%	0.182	C	C	.	.	H	α-helix	trans	-60.6	-37.9	178.9	179.4	176.8	47.7	144.2	-1.1	113.4	V64 S67 N68 L97 T98 S104 W106	V64-R101 HydrophobicContact CG1-CG 4.07Å; S67-R101 PolarHBondContact OG-NH1 3.43Å; N68-R101 PolarHBondContact OD1-NH1 3.46Å; N68-R101 VanDerWaalsContact OD1-NH1 3.1Å; N68-R101 PolarHBondContact OD1-NH2 3.02Å; L97-R101 WeakPolarHBondContact O-CB 3.44Å; L97-R101 PolarHBondContact O-N 3.23Å; T98-R101 PolarHBondContact O-N 3.39Å; R101-S104 WeakPolarHBondContact CA-OG 3.26Å; R101-S104 VanDerWaalsContact O-CB 3.29Å; R101-S104 WeakPolarHBondContact O-CB 3.4Å; R101-S104 PolarHBondContact O-OG 3.49Å; R101-S104 VanDerWaalsContact O-OG 3.1Å; R101-W106 PolarHBondContact O-NE1 3.45Å; R101-W106 VanDerWaalsContact O-NE1 3.14Å
102	L	83	Confident	82.1	Confident	31 Å²	31	37.9 Å²	37.9	16%	0.162	21%	0.205	C	C	.	.	H	α-helix	trans	-76.9	-26.4	178.6	-68.3	178.8	0	0	0	112.9	L65 T98 M99 K100 S104 L157 P158	L65-L102 HydrophobicContact CD2-CD2 3.86Å; T98-L102 HydrophobicContact CG2-CD1 3.83Å; T98-L102 HydrophobicContact CG2-CG 4.33Å; T98-L102 WeakPolarHBondContact O-CB 3.48Å; T98-L102 VanDerWaalsContact O-CG 3.26Å; T98-L102 WeakPolarHBondContact O-CG 3.28Å; T98-L102 PolarHBondContact O-N 3.19Å; M99-L102 PolarHBondContact O-N 2.97Å; K100-L102 VanDerWaalsContact C-N 3.32Å; K100-L102 PolarHBondContact O-N 2.84Å; L102-S104 VanDerWaalsContact C-N 3.32Å; L102-L157 HydrophobicContact CD2-CD2 4.42Å; L102-P158 HydrophobicContact CB-CG 3.49Å; L102-P158 VanDerWaalsContact CB-CG 3.49Å; L102-P158 HydrophobicContact CD1-CG 4.35Å
103	S	83.4	Confident	81.3	Confident	14 Å²	14	38.4 Å²	38.4	10%	0.098	21%	0.208	C	C	.	.	H	α-helix	trans	-80	-14.4	173.7	75	0	0	0	0	113.6	M99 K100 P158 V163	M99-S103 WeakPolarHBondContact O-CB 3.45Å; M99-S103 PolarHBondContact O-N 2.82Å; M99-S103 PolarHBondContact O-OG 2.84Å; K100-S103 PolarHBondContact O-N 2.83Å; K100-S103 VanDerWaalsContact O-N 3.17Å; K100-S103 PolarHBondContact O-OG 2.82Å; S103-P158 WeakPolarHBondContact CA-O 3.34Å; S103-V163 WeakPolarHBondContact OG-CG2 3.47Å
104	S	72.3	Confident	80.6	Confident	30 Å²	30	39.6 Å²	39.6	21%	0.21	22%	0.215	C	C	.	.	S	Bend	trans	-48	155.5	-170.2	-72.1	0	0	0	0	113.9	K100 R101 L102 W106 K107	K100-S104 PolarHBondContact O-N 2.91Å; K100-S104 PolarHBondContact O-OG 2.91Å; R101-S104 WeakPolarHBondContact CA-OG 3.26Å; R101-S104 VanDerWaalsContact O-CB 3.29Å; R101-S104 WeakPolarHBondContact O-CB 3.4Å; R101-S104 PolarHBondContact O-OG 3.49Å; R101-S104 VanDerWaalsContact O-OG 3.1Å; L102-S104 VanDerWaalsContact C-N 3.32Å; S104-W106 PolarHBondContact O-N 3.25Å; S104-K107 WeakPolarHBondContact O-CB 3.43Å; S104-K107 PolarHBondContact O-N 3.29Å
105	S	68.7	Low	79.7	Confident	90 Å²	90	43 Å²	43	63%	0.629	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.2	-21.9	-173.6	62.4	0	0	0	0	115	K107 S108	S105-K107 PolarHBondContact O-N 2.9Å; S105-K107 VanDerWaalsContact O-N 3.1Å; S105-S108 PolarHBondContact O-N 2.88Å; S105-S108 PolarHBondContact O-OG 2.81Å
106	W	74.4	Confident	78.5	Confident	18 Å²	18	48.4 Å²	48.4	7%	0.068	26%	0.262	C	S	.	.	H	α-helix	trans	-56.9	-23.5	174.9	64.3	-108.1	0	0	0	112.8	V61 L65 R101 S104 S108 Q109 L110 L157	V61-W106 HydrophobicContact CG1-CD2 3.92Å; V61-W106 HydrophobicContact CG1-CE3 3.48Å; V61-W106 VanDerWaalsContact CG1-CE3 3.48Å; V61-W106 HydrophobicContact CG1-CG 4.41Å; V61-W106 HydrophobicContact CG1-CZ3 3.98Å; V61-W106 HydrophobicContact CG2-CB 4.04Å; L65-W106 HydrophobicContact CD1-CH2 3.97Å; L65-W106 HydrophobicContact CD1-CZ3 4.21Å; L65-W106 HydrophobicContact CD2-CH2 3.6Å; L65-W106 HydrophobicContact CD2-CZ2 3.56Å; L65-W106 HydrophobicContact CG-CH2 4.05Å; L65-W106 HydrophobicContact CG-CZ2 4.14Å; R101-W106 PolarHBondContact O-NE1 3.45Å; R101-W106 VanDerWaalsContact O-NE1 3.14Å; S104-W106 PolarHBondContact O-N 3.25Å; W106-S108 VanDerWaalsContact C-N 3.29Å; W106-S108 PolarHBondContact O-N 2.98Å; W106-Q109 CarbonylContact O-C 3.56Å; W106-Q109 PolarHBondContact O-N 2.91Å; W106-Q109 VanDerWaalsContact O-N 3.09Å; W106-L110 HydrophobicContact CE3-CB 4.28Å; W106-L110 HydrophobicContact CE3-CD2 4.3Å; W106-L110 HydrophobicContact CZ3-CD2 3.92Å; W106-L110 WeakPolarHBondContact O-CB 2.95Å; W106-L110 PolarHBondContact O-N 2.82Å; W106-L157 HydrophobicContact CH2-CD1 3.53Å; W106-L157 HydrophobicContact CZ2-CD1 4.4Å; W106-L157 HydrophobicContact CZ3-CD1 4.34Å
107	K	74.9	Confident	77.2	Confident	49 Å²	49	50.2 Å²	50.2	21%	0.213	27%	0.273	C	S	.	.	H	α-helix	trans	-53.7	-45.6	176.3	-174	173.4	-176	169.3	0	112.1	S104 S105 S111 T154 L157	S104-K107 WeakPolarHBondContact O-CB 3.43Å; S104-K107 PolarHBondContact O-N 3.29Å; S105-K107 PolarHBondContact O-N 2.9Å; S105-K107 VanDerWaalsContact O-N 3.1Å; K107-S111 PolarHBondContact O-OG 2.88Å; K107-T154 HydrophobicContact CD-CG2 4.3Å; K107-T154 WeakPolarHBondContact CE-O 3.2Å; K107-T154 HydrophobicContact CG-CG2 3.58Å; K107-T154 PolarHBondContact NZ-O 3.08Å; K107-L157 PolarHBondContact NZ-O 3.33Å
108	S	71	Confident	75.7	Confident	71 Å²	71	53.4 Å²	53.4	50%	0.497	30%	0.296	S	S	.	.	H	α-helix	trans	-68	-39.9	177.3	69	0	0	0	0	112	S105 W106	S105-S108 PolarHBondContact O-N 2.88Å; S105-S108 PolarHBondContact O-OG 2.81Å; W106-S108 VanDerWaalsContact C-N 3.29Å; W106-S108 PolarHBondContact O-N 2.98Å
109	Q	75.4	Confident	74.1	Confident	96 Å²	96	57 Å²	57	45%	0.449	31%	0.314	S	S	.	.	H	α-helix	trans	-68.7	-40	179.6	-61	-177.7	-4.6	0	0	111.8	W106 S111 Q112 L113	W106-Q109 CarbonylContact O-C 3.56Å; W106-Q109 PolarHBondContact O-N 2.91Å; W106-Q109 VanDerWaalsContact O-N 3.09Å; Q109-S111 VanDerWaalsContact C-N 3.35Å; Q109-S111 PolarHBondContact O-N 2.82Å; Q109-Q112 PolarHBondContact O-N 3.42Å; Q109-L113 WeakPolarHBondContact O-CB 3.3Å; Q109-L113 WeakPolarHBondContact O-CG 3.38Å; Q109-L113 PolarHBondContact O-N 3.35Å
110	L	77.3	Confident	72.5	Confident	15 Å²	15	56.1 Å²	56.1	8%	0.079	32%	0.32	C	S	.	.	H	α-helix	trans	-60.7	-44.9	-178.4	-178.7	63.8	0	0	0	111.3	V61 W106 Q112 L113 V114 V150	V61-L110 HydrophobicContact CG1-CD1 4.17Å; V61-L110 HydrophobicContact CG1-CD2 4.22Å; W106-L110 HydrophobicContact CE3-CB 4.28Å; W106-L110 HydrophobicContact CE3-CD2 4.3Å; W106-L110 HydrophobicContact CZ3-CD2 3.92Å; W106-L110 WeakPolarHBondContact O-CB 2.95Å; W106-L110 PolarHBondContact O-N 2.82Å; L110-Q112 VanDerWaalsContact C-N 3.33Å; L110-Q112 PolarHBondContact O-N 2.83Å; L110-L113 PolarHBondContact O-N 2.93Å; L110-V114 HydrophobicContact CD1-CG2 4.05Å; L110-V114 HydrophobicContact CG-CG2 4.47Å; L110-V114 VanDerWaalsContact O-CG2 3.28Å; L110-V114 WeakPolarHBondContact O-CG2 3.34Å; L110-V114 PolarHBondContact O-N 2.85Å; L110-V150 HydrophobicContact CD2-CG1 4.25Å; L110-V150 HydrophobicContact CG-CG1 4.49Å
111	S	72.8	Confident	70.6	Confident	44 Å²	44	63.3 Å²	63.3	31%	0.308	35%	0.352	S	S	.	.	H	α-helix	trans	-59.2	-45.7	177.7	-60.1	0	0	0	0	111.1	K107 Q109 L113 V114 D115	K107-S111 PolarHBondContact O-OG 2.88Å; Q109-S111 VanDerWaalsContact C-N 3.35Å; Q109-S111 PolarHBondContact O-N 2.82Å; S111-L113 PolarHBondContact O-N 2.84Å; S111-V114 PolarHBondContact O-N 2.88Å; S111-D115 VanDerWaalsContact O-CB 3.31Å; S111-D115 WeakPolarHBondContact O-CB 3.41Å; S111-D115 PolarHBondContact O-N 2.84Å
112	Q	75.7	Confident	68.8	Low	125 Å²	125	69.3 Å²	69.3	58%	0.584	38%	0.382	S	S	*	.	H	α-helix	trans	-64.2	-41.4	176.9	-65.1	176.4	4.8	0	0	112.6	Q109 L110 V114 N116	Q109-Q112 PolarHBondContact O-N 3.42Å; L110-Q112 VanDerWaalsContact C-N 3.33Å; L110-Q112 PolarHBondContact O-N 2.83Å; Q112-V114 VanDerWaalsContact C-N 3.27Å; Q112-V114 PolarHBondContact O-N 3.3Å; Q112-N116 VanDerWaalsContact O-CB 3.3Å; Q112-N116 WeakPolarHBondContact O-CB 3.38Å; Q112-N116 PolarHBondContact O-N 3.5Å; Q112-N116 PolarHBondContact O-ND2 2.89Å; Q112-N116 VanDerWaalsContact O-ND2 3.17Å
113	L	76.6	Confident	67	Low	14 Å²	14	78 Å²	78	7%	0.073	42%	0.419	C	S	.	.	H	α-helix	trans	-65.8	-30.1	-179.9	-70.8	168.8	0	0	0	112.8	R54 R57 I58 Q109 L110 S111	R54-L113 HydrophobicContact CG-CD2 3.72Å; R54-L113 PolarHBondContact NH1-O 3.42Å; R57-L113 HydrophobicContact CB-CD1 3.68Å; R57-L113 HydrophobicContact CB-CD2 4.1Å; I58-L113 HydrophobicContact CD1-CB 4.16Å; I58-L113 HydrophobicContact CG1-CB 3.85Å; I58-L113 HydrophobicContact CG1-CD1 4.1Å; I58-L113 HydrophobicContact CG1-CG 4.49Å; Q109-L113 WeakPolarHBondContact O-CB 3.3Å; Q109-L113 WeakPolarHBondContact O-CG 3.38Å; Q109-L113 PolarHBondContact O-N 3.35Å; L110-L113 PolarHBondContact O-N 2.93Å; S111-L113 PolarHBondContact O-N 2.84Å
114	V	77.2	Confident	65.1	Low	26 Å²	26	80.1 Å²	80.1	16%	0.158	44%	0.443	C	S	.	.	H	α-helix	trans	-90.3	-35.6	-179	179.7	0	0	0	0	111.7	L110 S111 Q112 R147 V150	L110-V114 HydrophobicContact CD1-CG2 4.05Å; L110-V114 HydrophobicContact CG-CG2 4.47Å; L110-V114 VanDerWaalsContact O-CG2 3.28Å; L110-V114 WeakPolarHBondContact O-CG2 3.34Å; L110-V114 PolarHBondContact O-N 2.85Å; S111-V114 PolarHBondContact O-N 2.88Å; Q112-V114 VanDerWaalsContact C-N 3.27Å; Q112-V114 PolarHBondContact O-N 3.3Å; V114-R147 HydrophobicContact CG1-CB 4.09Å; V114-R147 HydrophobicContact CG1-CG 3.84Å; V114-R147 PolarHBondContact O-NE 3.41Å; V114-R147 PolarHBondContact O-NH2 2.92Å; V114-V150 HydrophobicContact CG2-CG1 4.47Å
115	D	73.2	Confident	63.7	Low	89 Å²	89	86.3 Å²	86.3	48%	0.476	47%	0.474	S	S	.	.	H	α-helix	trans	-74.7	-30.2	-179.4	-74.4	-17.8	0	0	0	113	S111 V117 R147	S111-D115 VanDerWaalsContact O-CB 3.31Å; S111-D115 WeakPolarHBondContact O-CB 3.41Å; S111-D115 PolarHBondContact O-N 2.84Å; D115-V117 PolarHBondContact O-N 3.19Å; D115-R147 WeakPolarHBondContact OD1-CD 3.33Å; D115-R147 IonicContact OD1-NE 2.72Å
116	N	65	Low	62.5	Low	116 Å²	116	88.3 Å²	88.3	62%	0.62	48%	0.482	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.3	8.1	-177.2	-73.9	-13	0	0	0	115.7	Q112 P118	Q112-N116 VanDerWaalsContact O-CB 3.3Å; Q112-N116 WeakPolarHBondContact O-CB 3.38Å; Q112-N116 PolarHBondContact O-N 3.5Å; Q112-N116 PolarHBondContact O-ND2 2.89Å; Q112-N116 VanDerWaalsContact O-ND2 3.17Å; N116-P118 WeakPolarHBondContact O-CD 3.2Å
117	V	64.2	Low	61	Low	37 Å²	37	95.3 Å²	95.3	22%	0.224	52%	0.521	C	S	.	.	S	Bend	trans	-89.4	114.6	172.2	-173.6	0	0	0	0	108.3	R54 D115 N119 R147	R54-V117 VanDerWaalsContact CZ-CG2 3.48Å; D115-V117 PolarHBondContact O-N 3.19Å; V117-N119 PolarHBondContact O-N 2.89Å; V117-R147 PolarHBondContact O-NH2 3.34Å
118	P	58.4	Low	59.5	Low	100 Å²	100	96 Å²	96	65%	0.649	54%	0.542	S	S	*	.			trans	-52.5	133.2	177.5	-23.3	32.3	0	0	0	110.2	N116 G120	N116-P118 WeakPolarHBondContact O-CD 3.2Å; P118-G120 PolarHBondContact O-N 3Å
119	N	55.3	Low	58.2	Low	90 Å²	90	97.9 Å²	97.9	48%	0.481	56%	0.555	S	S	.	*			trans	-61.1	114.5	166	-73.4	-11.5	0	0	0	106.5	V117 F121 N144 R147	V117-N119 PolarHBondContact O-N 2.89Å; N119-F121 PolarHBondContact O-N 2.89Å; N119-N144 PolarHBondContact OD1-OD1 3.3Å; N119-R147 PolarHBondContact OD1-NH1 2.83Å
120	G	52.2	Low	56.9	Low	41 Å²	41	100.6 Å²	100.6	42%	0.423	57%	0.572	S	S	.	*	S	Bend	trans	-51.5	110.7	170.9	0	0	0	0	0	108.1	P118	P118-G120 PolarHBondContact O-N 3Å
121	F	48.4	Very low	55.4	Low	184 Å²	184	110.1 Å²	110.1	81%	0.807	61%	0.609	S	S	*	*			trans	60.8	106.2	177.1	-85.4	-101.7	0	0	0	117.5	N119	N119-F121 PolarHBondContact O-N 2.89Å
122	Q	45.9	Very low	54.2	Low	176 Å²	176	114.3 Å²	114.3	82%	0.822	63%	0.627	S	S	*	*			trans	-67.8	134.9	146.1	-78.5	-178.7	-9	0	0	108.2	G124	Q122-G124 PolarHBondContact O-N 3.25Å
123	K	45.1	Very low	53.2	Low	214 Å²	214	113.5 Å²	113.5	93%	0.93	63%	0.627	S	S	*	*	S	Bend	trans	-71.1	53.1	-173.6	-154.9	-179.7	-171.7	-178.6	0	112.5
124	G	43	Very low	52.3	Low	58 Å²	58	119.5 Å²	119.5	60%	0.598	66%	0.658	S	S	*	*			trans	-102.3	-31	-167	0	0	0	0	0	116.4	Q122	Q122-G124 PolarHBondContact O-N 3.25Å
125	D	44	Very low	51.9	Low	160 Å²	160	120.8 Å²	120.8	86%	0.856	67%	0.668	S	S	*	*			trans	-123.9	74	-172.4	-80.7	-32	0	0	0	111.5	D127	D125-D127 PolarHBondContact O-N 2.91Å
126	T	42.7	Very low	51.6	Low	132 Å²	132	120.5 Å²	120.5	81%	0.81	67%	0.666	S	S	*	*			trans	-82.9	88.9	157.4	49.1	0	0	0	0	109.1
127	D	42.3	Very low	51.7	Low	165 Å²	165	117.2 Å²	117.2	88%	0.882	66%	0.655	S	S	*	*	S	Bend	trans	-150	62	145.3	-152.1	21.1	0	0	0	108.7	D125	D125-D127 PolarHBondContact O-N 2.91Å
128	G	44.3	Very low	52.2	Low	63 Å²	63	121.3 Å²	121.3	65%	0.649	67%	0.672	S	S	*	*	S	Bend	trans	-175.7	111.5	-177.9	0	0	0	0	0	109.5	D130	G128-D130 PolarHBondContact O-N 3.15Å
129	S	42.7	Very low	53.1	Low	111 Å²	111	120.9 Å²	120.9	78%	0.776	66%	0.664	S	S	*	*			trans	-69.8	47.2	-176.9	59.5	0	0	0	0	113.3	Y131	S129-Y131 PolarHBondContact O-N 3.11Å
130	D	48.7	Very low	54.1	Low	152 Å²	152	118.5 Å²	118.5	81%	0.813	65%	0.653	S	S	*	*			trans	-77.9	115	174.9	-131.6	-7.5	0	0	0	107.8	G128 L132	G128-D130 PolarHBondContact O-N 3.15Å; D130-L132 VanDerWaalsContact C-N 3.27Å; D130-L132 PolarHBondContact O-N 3.2Å
131	Y	45.2	Very low	55.3	Low	216 Å²	216	121.9 Å²	121.9	85%	0.847	66%	0.66	S	S	*	*			trans	-60.5	93.8	179.8	-72.2	-96	0	0	0	107.7	S129 N133	S129-Y131 PolarHBondContact O-N 3.11Å; Y131-N133 PolarHBondContact O-N 2.92Å
132	L	48.1	Very low	56.9	Low	132 Å²	132	116.3 Å²	116.3	69%	0.691	64%	0.641	S	S	*	*			trans	-49.1	110.3	165.3	-80.7	161.5	0	0	0	106.8	D130 I134	D130-L132 VanDerWaalsContact C-N 3.27Å; D130-L132 PolarHBondContact O-N 3.2Å; L132-I134 PolarHBondContact O-N 2.84Å; L132-I134 VanDerWaalsContact O-N 3.07Å
133	N	55.1	Low	58.5	Low	108 Å²	108	112.3 Å²	112.3	58%	0.578	62%	0.624	S	S	*	*			trans	-58.4	120.2	164.3	-104.4	-22.5	0	0	0	105.7	Y131 S135 D136	Y131-N133 PolarHBondContact O-N 2.92Å; N133-S135 PolarHBondContact O-N 2.73Å; N133-D136 PolarHBondContact O-N 2.67Å
134	I	58.7	Low	60.3	Low	140 Å²	140	104.9 Å²	104.9	72%	0.718	59%	0.594	S	S	*	*	H	α-helix	trans	-50.3	-27.6	178.3	-69.2	167.9	0	0	0	110.6	L132 D136 Q138	L132-I134 PolarHBondContact O-N 2.84Å; L132-I134 VanDerWaalsContact O-N 3.07Å; I134-D136 PolarHBondContact O-N 2.87Å; I134-Q138 WeakPolarHBondContact O-CB 3.32Å; I134-Q138 PolarHBondContact O-N 3.3Å; I134-Q138 VanDerWaalsContact O-N 3.13Å
135	S	67.7	Low	62.3	Low	53 Å²	53	105.6 Å²	105.6	37%	0.371	59%	0.587	S	S	.	*	H	α-helix	trans	-59.3	-39.8	173.4	66.7	0	0	0	0	114.2	N133 Q138 N139	N133-S135 PolarHBondContact O-N 2.73Å; S135-Q138 PolarHBondContact O-N 3.23Å; S135-N139 VanDerWaalsContact O-CB 3.32Å; S135-N139 WeakPolarHBondContact O-CB 3.47Å; S135-N139 PolarHBondContact O-N 2.86Å; S135-N139 PolarHBondContact O-ND2 3.14Å
136	D	65.8	Low	64.2	Low	83 Å²	83	101.3 Å²	101.3	44%	0.444	56%	0.563	S	S	.	*	H	α-helix	trans	-75.6	-39.2	-171.5	-62.8	-20.4	0	0	0	111.2	N133 I134 Q138 N139 T140	N133-D136 PolarHBondContact O-N 2.67Å; I134-D136 PolarHBondContact O-N 2.87Å; D136-Q138 VanDerWaalsContact C-N 3.35Å; D136-N139 PolarHBondContact O-N 3.35Å; D136-T140 WeakPolarHBondContact O-CB 3.35Å; D136-T140 PolarHBondContact O-N 2.88Å; D136-T140 PolarHBondContact O-OG1 2.87Å
137	A	69	Low	66.1	Low	47 Å²	47	96.6 Å²	96.6	39%	0.388	53%	0.531	S	S	.	.	H	α-helix	trans	-61.2	-44.3	169.5	0	0	0	0	0	111.2	T140 I141	A137-T140 PolarHBondContact O-N 3.07Å; A137-I141 WeakPolarHBondContact O-CG1 3.44Å; A137-I141 PolarHBondContact O-N 3.25Å; A137-I141 VanDerWaalsContact O-N 3.09Å
138	Q	74.3	Confident	68	Low	122 Å²	122	92.5 Å²	92.5	57%	0.57	52%	0.515	S	S	*	.	H	α-helix	trans	-66.2	-39	178.8	-171.6	170.3	-4.3	0	0	112.5	I134 S135 D136 T140 I141 T142	I134-Q138 WeakPolarHBondContact O-CB 3.32Å; I134-Q138 PolarHBondContact O-N 3.3Å; I134-Q138 VanDerWaalsContact O-N 3.13Å; S135-Q138 PolarHBondContact O-N 3.23Å; D136-Q138 VanDerWaalsContact C-N 3.35Å; Q138-T140 VanDerWaalsContact C-N 3.35Å; Q138-I141 PolarHBondContact O-N 2.95Å; Q138-T142 WeakPolarHBondContact O-CB 3.37Å; Q138-T142 PolarHBondContact O-N 2.81Å; Q138-T142 PolarHBondContact O-OG1 3.41Å
139	N	76.8	Confident	69.9	Low	91 Å²	91	95.6 Å²	95.6	49%	0.487	51%	0.507	S	S	.	.	H	α-helix	trans	-62.4	-42.2	174.6	-73.3	-20.8	0	0	0	111.2	S135 D136 T142 M143	S135-N139 VanDerWaalsContact O-CB 3.32Å; S135-N139 WeakPolarHBondContact O-CB 3.47Å; S135-N139 PolarHBondContact O-N 2.86Å; S135-N139 PolarHBondContact O-ND2 3.14Å; D136-N139 PolarHBondContact O-N 3.35Å; N139-T142 PolarHBondContact O-N 2.93Å; N139-M143 WeakPolarHBondContact O-CB 3.21Å; N139-M143 WeakPolarHBondContact O-CG 3.22Å; N139-M143 PolarHBondContact O-N 3.09Å
140	T	75.5	Confident	71.9	Confident	41 Å²	41	92.4 Å²	92.4	25%	0.252	48%	0.483	S	S	.	.	H	α-helix	trans	-63.7	-44.7	178.7	-58	0	0	0	0	111.8	D136 A137 Q138 M143 N144	D136-T140 WeakPolarHBondContact O-CB 3.35Å; D136-T140 PolarHBondContact O-N 2.88Å; D136-T140 PolarHBondContact O-OG1 2.87Å; A137-T140 PolarHBondContact O-N 3.07Å; Q138-T140 VanDerWaalsContact C-N 3.35Å; T140-M143 PolarHBondContact O-N 2.87Å; T140-N144 PolarHBondContact O-N 3.22Å; T140-N144 PolarHBondContact O-ND2 3.22Å
141	I	79.1	Confident	73.5	Confident	111 Å²	111	91.1 Å²	91.1	57%	0.569	47%	0.47	S	S	*	.	H	α-helix	trans	-62.4	-44.4	175.8	-66.7	166.7	0	0	0	110.9	A137 Q138 N144 T145	A137-I141 WeakPolarHBondContact O-CG1 3.44Å; A137-I141 PolarHBondContact O-N 3.25Å; A137-I141 VanDerWaalsContact O-N 3.09Å; Q138-I141 PolarHBondContact O-N 2.95Å; I141-N144 PolarHBondContact O-N 3.3Å; I141-T145 PolarHBondContact O-N 2.92Å; I141-T145 PolarHBondContact O-OG1 2.89Å
142	T	81.6	Confident	75	Confident	68 Å²	68	85.7 Å²	85.7	42%	0.417	45%	0.452	S	S	.	.	H	α-helix	trans	-62.3	-45.3	179.8	-57.2	0	0	0	0	111.2	Q138 N139 N144 T145 I146	Q138-T142 WeakPolarHBondContact O-CB 3.37Å; Q138-T142 PolarHBondContact O-N 2.81Å; Q138-T142 PolarHBondContact O-OG1 3.41Å; N139-T142 PolarHBondContact O-N 2.93Å; T142-N144 PolarHBondContact O-N 2.98Å; T142-T145 WeakPolarHBondContact O-CB 3.47Å; T142-T145 PolarHBondContact O-N 3.35Å; T142-I146 HydrophobicContact CG2-CD1 4.03Å; T142-I146 WeakPolarHBondContact O-CG1 3.48Å; T142-I146 PolarHBondContact O-N 2.96Å
143	M	80	Confident	76.6	Confident	91 Å²	91	84.9 Å²	84.9	45%	0.448	44%	0.444	S	S	.	.	H	α-helix	trans	-61.9	-44	177.4	-78.8	-61.8	-69.7	0	0	112.5	N139 T140 T145 I146 R147	N139-M143 WeakPolarHBondContact O-CB 3.21Å; N139-M143 WeakPolarHBondContact O-CG 3.22Å; N139-M143 PolarHBondContact O-N 3.09Å; T140-M143 PolarHBondContact O-N 2.87Å; M143-T145 VanDerWaalsContact C-N 3.3Å; M143-T145 PolarHBondContact O-N 3.04Å; M143-I146 PolarHBondContact O-N 2.85Å; M143-R147 WeakPolarHBondContact O-CB 3.48Å; M143-R147 PolarHBondContact O-N 2.99Å
144	N	82.2	Confident	77.7	Confident	58 Å²	58	80 Å²	80	31%	0.31	42%	0.419	S	S	.	.	H	α-helix	trans	-61.5	-39.4	176.2	-74.8	-27	0	0	0	112.2	N119 T140 I141 T142 R147 S148	N119-N144 PolarHBondContact OD1-OD1 3.3Å; T140-N144 PolarHBondContact O-N 3.22Å; T140-N144 PolarHBondContact O-ND2 3.22Å; I141-N144 PolarHBondContact O-N 3.3Å; T142-N144 PolarHBondContact O-N 2.98Å; N144-R147 PolarHBondContact O-N 2.98Å; N144-R147 PolarHBondContact OD1-NH1 2.85Å; N144-S148 PolarHBondContact O-N 3Å
145	T	84.2	Confident	78.6	Confident	74 Å²	74	78.5 Å²	78.5	45%	0.454	41%	0.412	S	S	.	.	H	α-helix	trans	-65.7	-43	176.7	-54.9	0	0	0	0	111.6	I141 T142 M143 S148 R149	I141-T145 PolarHBondContact O-N 2.92Å; I141-T145 PolarHBondContact O-OG1 2.89Å; T142-T145 WeakPolarHBondContact O-CB 3.47Å; T142-T145 PolarHBondContact O-N 3.35Å; M143-T145 VanDerWaalsContact C-N 3.3Å; M143-T145 PolarHBondContact O-N 3.04Å; T145-S148 PolarHBondContact O-N 2.88Å; T145-R149 WeakPolarHBondContact O-CG 3.37Å; T145-R149 PolarHBondContact O-N 2.8Å; T145-R149 VanDerWaalsContact O-N 3.14Å
146	I	83.7	Confident	79.1	Confident	69 Å²	69	82.4 Å²	82.4	35%	0.354	43%	0.426	S	S	.	.	H	α-helix	trans	-62.7	-48.8	175.9	-68.9	166.9	0	0	0	110.3	T142 M143 S148 R149 V150	T142-I146 HydrophobicContact CG2-CD1 4.03Å; T142-I146 WeakPolarHBondContact O-CG1 3.48Å; T142-I146 PolarHBondContact O-N 2.96Å; M143-I146 PolarHBondContact O-N 2.85Å; I146-S148 VanDerWaalsContact C-N 3.31Å; I146-S148 PolarHBondContact O-N 2.88Å; I146-R149 PolarHBondContact O-N 2.89Å; I146-R149 VanDerWaalsContact O-N 3.07Å; I146-V150 HydrophobicContact CG2-CG2 4.14Å; I146-V150 WeakPolarHBondContact O-CG2 3.42Å; I146-V150 PolarHBondContact O-N 3.37Å
147	R	83.6	Confident	79.8	Confident	34 Å²	34	80.6 Å²	80.6	13%	0.128	42%	0.416	C	S	.	.	H	α-helix	trans	-56.1	-45.1	178.3	178.4	-179.6	-67.8	149.1	-16.8	111.9	V114 D115 V117 N119 M143 N144 R149 V150 K151	V114-R147 HydrophobicContact CG1-CB 4.09Å; V114-R147 HydrophobicContact CG1-CG 3.84Å; V114-R147 PolarHBondContact O-NE 3.41Å; V114-R147 PolarHBondContact O-NH2 2.92Å; D115-R147 WeakPolarHBondContact OD1-CD 3.33Å; D115-R147 IonicContact OD1-NE 2.72Å; V117-R147 PolarHBondContact O-NH2 3.34Å; N119-R147 PolarHBondContact OD1-NH1 2.83Å; M143-R147 WeakPolarHBondContact O-CB 3.48Å; M143-R147 PolarHBondContact O-N 2.99Å; N144-R147 PolarHBondContact O-N 2.98Å; N144-R147 PolarHBondContact OD1-NH1 2.85Å; R147-R149 VanDerWaalsContact C-N 3.33Å; R147-R149 PolarHBondContact O-N 3.35Å; R147-V150 PolarHBondContact O-N 2.69Å; R147-K151 PolarHBondContact O-N 3.3Å
148	S	82.5	Confident	80.4	Confident	78 Å²	78	79.6 Å²	79.6	55%	0.545	41%	0.406	S	S	.	.	H	α-helix	trans	-60	-41.6	176.3	-171.8	0	0	0	0	112.4	N144 T145 I146 Q152	N144-S148 PolarHBondContact O-N 3Å; T145-S148 PolarHBondContact O-N 2.88Å; I146-S148 VanDerWaalsContact C-N 3.31Å; I146-S148 PolarHBondContact O-N 2.88Å; S148-Q152 WeakPolarHBondContact O-CB 3.37Å; S148-Q152 PolarHBondContact O-N 2.85Å
149	R	84.1	Confident	80.8	Confident	129 Å²	129	74.9 Å²	74.9	49%	0.487	39%	0.39	S	S	.	.	H	α-helix	trans	-70.3	-40.8	177.5	-70.8	-172.3	-61.1	169.5	2.2	112.5	T145 I146 R147 K151 Q152 H153	T145-R149 WeakPolarHBondContact O-CG 3.37Å; T145-R149 PolarHBondContact O-N 2.8Å; T145-R149 VanDerWaalsContact O-N 3.14Å; I146-R149 PolarHBondContact O-N 2.89Å; I146-R149 VanDerWaalsContact O-N 3.07Å; R147-R149 VanDerWaalsContact C-N 3.33Å; R147-R149 PolarHBondContact O-N 3.35Å; R149-K151 VanDerWaalsContact C-N 3.33Å; R149-K151 PolarHBondContact O-N 2.9Å; R149-Q152 PolarHBondContact O-N 2.49Å; R149-H153 VanDerWaalsContact O-CG 3.24Å; R149-H153 PolarHBondContact O-N 3.16Å; R149-H153 PolarHBondContact O-ND1 2.93Å
150	V	84.1	Confident	81.1	Confident	44 Å²	44	76.2 Å²	76.2	27%	0.267	40%	0.397	S	S	.	.	H	α-helix	trans	-56.7	-51.6	174.9	170.7	0	0	0	0	109.2	L110 V114 I146 R147 Q152 H153 T154	L110-V150 HydrophobicContact CD2-CG1 4.25Å; L110-V150 HydrophobicContact CG-CG1 4.49Å; V114-V150 HydrophobicContact CG2-CG1 4.47Å; I146-V150 HydrophobicContact CG2-CG2 4.14Å; I146-V150 WeakPolarHBondContact O-CG2 3.42Å; I146-V150 PolarHBondContact O-N 3.37Å; R147-V150 PolarHBondContact O-N 2.69Å; V150-Q152 PolarHBondContact O-N 3.43Å; V150-H153 PolarHBondContact O-N 2.89Å; V150-T154 WeakPolarHBondContact O-CB 3.19Å; V150-T154 PolarHBondContact O-N 3.3Å; V150-T154 PolarHBondContact O-OG1 3.28Å
151	K	81.2	Confident	81.5	Confident	125 Å²	125	81 Å²	81	54%	0.543	42%	0.421	S	S	.	.	H	α-helix	trans	-55.6	-49.7	176.3	-177.1	174.6	-179.8	174.5	0	112.2	R147 R149 H153 T154 D155	R147-K151 PolarHBondContact O-N 3.3Å; R149-K151 VanDerWaalsContact C-N 3.33Å; R149-K151 PolarHBondContact O-N 2.9Å; K151-H153 VanDerWaalsContact C-N 3.35Å; K151-H153 PolarHBondContact O-N 3.18Å; K151-T154 PolarHBondContact O-N 3.17Å; K151-D155 WeakPolarHBondContact O-CB 3.38Å; K151-D155 VanDerWaalsContact O-CG 3.25Å; K151-D155 PolarHBondContact O-N 2.77Å
152	Q	78	Confident	81.8	Confident	102 Å²	102	79.6 Å²	79.6	48%	0.477	42%	0.415	S	S	.	.	H	α-helix	trans	-57.9	-44.5	178.6	-177.8	-178.8	6.8	0	0	112.6	S148 R149 V150 M156	S148-Q152 WeakPolarHBondContact O-CB 3.37Å; S148-Q152 PolarHBondContact O-N 2.85Å; R149-Q152 PolarHBondContact O-N 2.49Å; V150-Q152 PolarHBondContact O-N 3.43Å; Q152-M156 HydrophobicContact CG-CE 3.84Å; Q152-M156 WeakPolarHBondContact O-CG 3.34Å; Q152-M156 PolarHBondContact O-N 2.85Å
153	H	81.5	Confident	82.1	Confident	114 Å²	114	76.8 Å²	76.8	53%	0.528	40%	0.398	S	S	.	.	H	α-helix	trans	-68.4	-41.7	177.7	-64	156.3	0	0	0	111.6	R149 V150 K151 D155 M156 L157	R149-H153 VanDerWaalsContact O-CG 3.24Å; R149-H153 PolarHBondContact O-N 3.16Å; R149-H153 PolarHBondContact O-ND1 2.93Å; V150-H153 PolarHBondContact O-N 2.89Å; K151-H153 VanDerWaalsContact C-N 3.35Å; K151-H153 PolarHBondContact O-N 3.18Å; H153-D155 VanDerWaalsContact C-N 3.31Å; H153-D155 PolarHBondContact O-N 3.16Å; H153-M156 WeakPolarHBondContact O-CB 3.4Å; H153-M156 PolarHBondContact O-N 2.94Å; H153-M156 VanDerWaalsContact O-N 3.11Å; H153-L157 PolarHBondContact O-N 2.87Å
154	T	78.8	Confident	82.5	Confident	7 Å²	7	74.7 Å²	74.7	4%	0.043	39%	0.392	C	S	.	.	H	α-helix	trans	-60.4	-40.4	176.6	-60.6	0	0	0	0	111.6	K107 V150 K151 M156 L157	K107-T154 HydrophobicContact CD-CG2 4.3Å; K107-T154 WeakPolarHBondContact CE-O 3.2Å; K107-T154 HydrophobicContact CG-CG2 3.58Å; K107-T154 PolarHBondContact NZ-O 3.08Å; V150-T154 WeakPolarHBondContact O-CB 3.19Å; V150-T154 PolarHBondContact O-N 3.3Å; V150-T154 PolarHBondContact O-OG1 3.28Å; K151-T154 PolarHBondContact O-N 3.17Å; T154-M156 PolarHBondContact O-N 3.32Å; T154-L157 WeakPolarHBondContact O-CB 3.4Å; T154-L157 PolarHBondContact O-N 3.34Å
155	D	77.2	Confident	82.7	Confident	107 Å²	107	73.6 Å²	73.6	57%	0.572	39%	0.394	S	S	*	.	H	α-helix	trans	-66	-22.4	177.2	-69.8	-20	0	0	0	112.9	K151 H153	K151-D155 WeakPolarHBondContact O-CB 3.38Å; K151-D155 VanDerWaalsContact O-CG 3.25Å; K151-D155 PolarHBondContact O-N 2.77Å; H153-D155 VanDerWaalsContact C-N 3.31Å; H153-D155 PolarHBondContact O-N 3.16Å
156	M	77.6	Confident	83	Confident	135 Å²	135	70.2 Å²	70.2	67%	0.665	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.5	-10.6	176.5	-66.8	176.9	-176.8	0	0	114	Q152 H153 T154	Q152-M156 HydrophobicContact CG-CE 3.84Å; Q152-M156 WeakPolarHBondContact O-CG 3.34Å; Q152-M156 PolarHBondContact O-N 2.85Å; H153-M156 WeakPolarHBondContact O-CB 3.4Å; H153-M156 PolarHBondContact O-N 2.94Å; H153-M156 VanDerWaalsContact O-N 3.11Å; T154-M156 PolarHBondContact O-N 3.32Å
157	L	80.5	Confident	83.5	Confident	46 Å²	46	67 Å²	67	24%	0.241	36%	0.358	C	S	.	.	S	Bend	trans	-77	150.6	177.9	-66.1	179	0	0	0	111.7	L102 W106 K107 H153 T154	L102-L157 HydrophobicContact CD2-CD2 4.42Å; W106-L157 HydrophobicContact CH2-CD1 3.53Å; W106-L157 HydrophobicContact CZ2-CD1 4.4Å; W106-L157 HydrophobicContact CZ3-CD1 4.34Å; K107-L157 PolarHBondContact NZ-O 3.33Å; H153-L157 PolarHBondContact O-N 2.87Å; T154-L157 WeakPolarHBondContact O-CB 3.4Å; T154-L157 PolarHBondContact O-N 3.34Å
158	P	82	Confident	83.9	Confident	25 Å²	25	67.2 Å²	67.2	16%	0.162	36%	0.361	C	S	.	.			trans	-56.7	155.9	179.1	24.9	-35.2	0	0	0	112.4	L102 S103 D162	L102-P158 HydrophobicContact CB-CG 3.49Å; L102-P158 VanDerWaalsContact CB-CG 3.49Å; L102-P158 HydrophobicContact CD1-CG 4.35Å; S103-P158 WeakPolarHBondContact CA-O 3.34Å; P158-D162 WeakPolarHBondContact CA-OD2 3.29Å; P158-D162 HydrophobicContact CB-CB 3.77Å
159	G	82	Confident	84.3	Confident	23 Å²	23	63.6 Å²	63.6	24%	0.237	34%	0.336	C	S	.	.			trans	-120	-174.2	171	0	0	0	0	0	112.3	N161 D162 V163	G159-N161 PolarHBondContact O-N 2.87Å; G159-D162 PolarHBondContact N-OD2 3.24Å; G159-D162 WeakPolarHBondContact O-CB 3.26Å; G159-D162 PolarHBondContact O-N 2.87Å; G159-V163 PolarHBondContact O-N 2.92Å
160	D	83.9	Confident	84.8	Confident	120 Å²	120	57.5 Å²	57.5	64%	0.642	31%	0.313	S	S	*	.	H	α-helix	trans	-57.1	-36.5	-175.8	-58.5	-26.8	0	0	0	113	D162 V163 S164	D160-D162 VanDerWaalsContact C-N 3.29Å; D160-D162 PolarHBondContact O-N 2.65Å; D160-V163 WeakPolarHBondContact O-CB 3.3Å; D160-V163 PolarHBondContact O-N 3.12Å; D160-V163 VanDerWaalsContact O-N 3.16Å; D160-S164 PolarHBondContact O-N 3.35Å; D160-S164 PolarHBondContact O-OG 3.1Å
161	N	84.3	Confident	85.4	Confident	141 Å²	141	56 Å²	56	75%	0.754	30%	0.303	S	S	*	.	H	α-helix	trans	-64.2	-32.1	176.5	-69.1	-24.4	0	0	0	112.9	G159 G165	G159-N161 PolarHBondContact O-N 2.87Å; N161-G165 PolarHBondContact O-N 2.96Å
162	D	85	Confident	85.9	Confident	82 Å²	82	52 Å²	52	44%	0.439	29%	0.285	S	S	.	.	H	α-helix	trans	-71.7	-36	175.9	-61.6	-67.7	0	0	0	110.5	P158 G159 D160 G165 A166	P158-D162 WeakPolarHBondContact CA-OD2 3.29Å; P158-D162 HydrophobicContact CB-CB 3.77Å; G159-D162 PolarHBondContact N-OD2 3.24Å; G159-D162 WeakPolarHBondContact O-CB 3.26Å; G159-D162 PolarHBondContact O-N 2.87Å; D160-D162 VanDerWaalsContact C-N 3.29Å; D160-D162 PolarHBondContact O-N 2.65Å; D162-G165 PolarHBondContact O-N 2.81Å; D162-A166 PolarHBondContact O-N 3.21Å
163	V	87	Confident	86.7	Confident	9 Å²	9	47.2 Å²	47.2	6%	0.055	26%	0.262	C	S	.	.	H	α-helix	trans	-64.4	-48.1	172.8	-175.6	0	0	0	0	110.7	Y96 K100 S103 G159 D160 G165 A166 V167	Y96-V163 HydrophobicContact CD2-CG1 4.37Å; Y96-V163 HydrophobicContact CE2-CG1 3.82Å; K100-V163 HydrophobicContact CB-CG1 4.4Å; S103-V163 WeakPolarHBondContact OG-CG2 3.47Å; G159-V163 PolarHBondContact O-N 2.92Å; D160-V163 WeakPolarHBondContact O-CB 3.3Å; D160-V163 PolarHBondContact O-N 3.12Å; D160-V163 VanDerWaalsContact O-N 3.16Å; V163-G165 VanDerWaalsContact C-N 3.27Å; V163-G165 PolarHBondContact O-N 3.46Å; V163-A166 WeakPolarHBondContact O-CA 3.4Å; V163-A166 WeakPolarHBondContact O-CB 3.4Å; V163-A166 PolarHBondContact O-N 3.41Å; V163-V167 WeakPolarHBondContact O-CG2 3.26Å; V163-V167 PolarHBondContact O-N 3.22Å
164	S	89.3	Confident	87.4	Confident	47 Å²	47	42 Å²	42	33%	0.329	24%	0.238	S	C	.	.	H	α-helix	trans	-55.8	-44.4	173.7	-61.6	0	0	0	0	111.4	D160 A166 V167 D168	D160-S164 PolarHBondContact O-N 3.35Å; D160-S164 PolarHBondContact O-OG 3.1Å; S164-A166 VanDerWaalsContact C-N 3.28Å; S164-A166 PolarHBondContact O-N 3.4Å; S164-V167 PolarHBondContact O-N 3.28Å; S164-V167 VanDerWaalsContact O-N 3.15Å; S164-D168 PolarHBondContact O-N 2.72Å
165	G	86.6	Confident	88	Confident	35 Å²	35	43.6 Å²	43.6	36%	0.361	25%	0.25	S	C	.	.	H	α-helix	trans	-62.8	-31.1	175.7	0	0	0	0	0	114.2	N161 D162 V163 A169	N161-G165 PolarHBondContact O-N 2.96Å; D162-G165 PolarHBondContact O-N 2.81Å; V163-G165 VanDerWaalsContact C-N 3.27Å; V163-G165 PolarHBondContact O-N 3.46Å; G165-A169 WeakPolarHBondContact O-CB 3.43Å; G165-A169 PolarHBondContact O-N 3.28Å; G165-A169 VanDerWaalsContact O-N 3.15Å
166	A	90.9	Very high	88.9	Confident	3 Å²	3	38.5 Å²	38.5	3%	0.025	22%	0.223	C	C	.	.	H	α-helix	trans	-71.5	-39.5	172.9	0	0	0	0	0	112.1	Y96 M99 D162 V163 S164 A169 I170 L466	Y96-A166 HydrophobicContact CD2-CB 4.02Å; M99-A166 HydrophobicContact SD-CB 3.71Å; D162-A166 PolarHBondContact O-N 3.21Å; V163-A166 WeakPolarHBondContact O-CA 3.4Å; V163-A166 WeakPolarHBondContact O-CB 3.4Å; V163-A166 PolarHBondContact O-N 3.41Å; S164-A166 VanDerWaalsContact C-N 3.28Å; S164-A166 PolarHBondContact O-N 3.4Å; A166-A169 WeakPolarHBondContact O-CB 3.37Å; A166-A169 PolarHBondContact O-N 3.21Å; A166-I170 PolarHBondContact O-N 3.42Å; A166-L466 HydrophobicContact CB-CD2 3.63Å
167	V	93.7	Very high	89.7	Confident	2 Å²	2	33.5 Å²	33.5	1%	0.012	20%	0.196	C	C	.	.	H	α-helix	trans	-65.8	-43.7	174.5	179.3	0	0	0	0	111	Y96 V163 S164 A169 I170 L171 V206 H209	Y96-V167 HydrophobicContact CD2-CG2 3.9Å; Y96-V167 HydrophobicContact CE2-CG2 3.39Å; V163-V167 WeakPolarHBondContact O-CG2 3.26Å; V163-V167 PolarHBondContact O-N 3.22Å; S164-V167 PolarHBondContact O-N 3.28Å; S164-V167 VanDerWaalsContact O-N 3.15Å; V167-A169 PolarHBondContact O-N 3.04Å; V167-I170 PolarHBondContact O-N 2.97Å; V167-L171 HydrophobicContact CG1-CD1 4.17Å; V167-L171 HydrophobicContact CG1-CG 4.46Å; V167-L171 WeakPolarHBondContact O-CG 3.16Å; V167-L171 PolarHBondContact O-N 3.12Å; V167-V206 HydrophobicContact CG1-CB 4.26Å; V167-V206 HydrophobicContact CG1-CG1 4.03Å; V167-V206 HydrophobicContact CG1-CG2 4.18Å; V167-H209 HydrophobicContact CB-CB 4.37Å; V167-H209 HydrophobicContact CG1-CB 3.4Å
168	D	91.6	Very high	90.3	Very high	38 Å²	38	36.9 Å²	36.9	20%	0.203	21%	0.209	C	C	.	.	H	α-helix	trans	-54.5	-38.6	171.5	-83.3	-31.3	0	0	0	112.1	S164 R172 H209	S164-D168 PolarHBondContact O-N 2.72Å; D168-R172 VanDerWaalsContact O-CB 3.29Å; D168-R172 WeakPolarHBondContact O-CB 3.5Å; D168-R172 PolarHBondContact O-N 3.47Å; D168-H209 IonicContact OD1-CE1 2.77Å; D168-H209 PolarHBondContact OD1-CE1 3.11Å; D168-H209 IonicContact OD1-ND1 3.21Å; D168-H209 PolarHBondContact OD1-ND1 2.84Å; D168-H209 IonicContact OD2-CE1 3.21Å
169	A	91.7	Very high	90.9	Very high	2 Å²	2	36.5 Å²	36.5	2%	0.017	21%	0.206	C	C	.	.	H	α-helix	trans	-70.4	-39.4	177	0	0	0	0	0	112.5	G165 A166 V167 R172 L173 L466	G165-A169 WeakPolarHBondContact O-CB 3.43Å; G165-A169 PolarHBondContact O-N 3.28Å; G165-A169 VanDerWaalsContact O-N 3.15Å; A166-A169 WeakPolarHBondContact O-CB 3.37Å; A166-A169 PolarHBondContact O-N 3.21Å; V167-A169 PolarHBondContact O-N 3.04Å; A169-R172 PolarHBondContact O-N 3.09Å; A169-L173 VanDerWaalsContact O-CG 3.27Å; A169-L173 WeakPolarHBondContact O-CG 3.27Å; A169-L173 PolarHBondContact O-N 3.11Å; A169-L466 HydrophobicContact CB-CD1 4.18Å; A169-L466 HydrophobicContact CB-CD2 4.32Å; A169-L466 HydrophobicContact CB-CG 3.64Å; A169-L466 VanDerWaalsContact CB-O 3.29Å; A169-L466 WeakPolarHBondContact CB-O 3.41Å
170	I	94.6	Very high	91.6	Very high	1 Å²	1	38.1 Å²	38.1	1%	0.005	21%	0.212	C	C	.	.	H	α-helix	trans	-60.5	-48.8	172.9	-70.4	171.2	0	0	0	110.6	I93 Y96 A166 V167 R172 L173 Q174 L184 W222	I93-I170 HydrophobicContact CD1-CD1 3.91Å; I93-I170 HydrophobicContact CD1-CG1 4.4Å; Y96-I170 HydrophobicContact CD1-CD1 3.87Å; Y96-I170 HydrophobicContact CD2-CD1 4.34Å; Y96-I170 HydrophobicContact CG-CD1 3.67Å; A166-I170 PolarHBondContact O-N 3.42Å; V167-I170 PolarHBondContact O-N 2.97Å; I170-R172 VanDerWaalsContact C-N 3.31Å; I170-R172 PolarHBondContact O-N 2.81Å; I170-L173 WeakPolarHBondContact O-CB 3.43Å; I170-L173 PolarHBondContact O-N 3.38Å; I170-L173 VanDerWaalsContact O-N 3.11Å; I170-Q174 WeakPolarHBondContact O-CB 3.13Å; I170-Q174 PolarHBondContact O-N 2.77Å; I170-L184 HydrophobicContact CG2-CD1 4.12Å; I170-W222 HydrophobicContact CG2-CZ2 3.97Å
171	L	95.3	Very high	92.2	Very high	12 Å²	12	32.4 Å²	32.4	6%	0.063	18%	0.182	C	C	.	.	H	α-helix	trans	-62.7	-37.2	178.3	-66.8	171.5	0	0	0	112	V167 Q174 S175 V206 H209 A210 Q218	V167-L171 HydrophobicContact CG1-CD1 4.17Å; V167-L171 HydrophobicContact CG1-CG 4.46Å; V167-L171 WeakPolarHBondContact O-CG 3.16Å; V167-L171 PolarHBondContact O-N 3.12Å; L171-Q174 WeakPolarHBondContact O-CB 3.41Å; L171-Q174 PolarHBondContact O-N 2.04Å; L171-S175 PolarHBondContact O-N 3.25Å; L171-S175 PolarHBondContact O-OG 3.08Å; L171-V206 HydrophobicContact CD2-CG1 3.8Å; L171-V206 HydrophobicContact CG-CG1 4.2Å; L171-H209 HydrophobicContact CD1-CB 4.42Å; L171-A210 HydrophobicContact CD1-CB 3.92Å; L171-A210 HydrophobicContact CD2-CB 3.99Å; L171-Q218 HydrophobicContact CD2-CB 4.31Å; L171-Q218 PolarHBondContact O-OE1 2.67Å; L171-Q218 VanDerWaalsContact O-OE1 3.05Å
172	R	92.9	Very high	92.7	Very high	41 Å²	41	31 Å²	31	16%	0.155	17%	0.166	C	C	.	.	H	α-helix	trans	-63.7	-42	172.2	-172.3	-176.5	-55.3	104.4	16.4	112	D168 A169 I170 Q174 S175 T176 G467 H469 P547	D168-R172 VanDerWaalsContact O-CB 3.29Å; D168-R172 WeakPolarHBondContact O-CB 3.5Å; D168-R172 PolarHBondContact O-N 3.47Å; A169-R172 PolarHBondContact O-N 3.09Å; I170-R172 VanDerWaalsContact C-N 3.31Å; I170-R172 PolarHBondContact O-N 2.81Å; R172-Q174 VanDerWaalsContact C-N 3.35Å; R172-S175 WeakPolarHBondContact CA-OG 3.16Å; R172-S175 PolarHBondContact O-OG 2.83Å; R172-S175 VanDerWaalsContact O-OG 3.04Å; R172-T176 VanDerWaalsContact O-CB 3.25Å; R172-T176 WeakPolarHBondContact O-CB 3.14Å; R172-T176 PolarHBondContact O-N 2.64Å; R172-T176 PolarHBondContact O-OG1 3.49Å; R172-T176 VanDerWaalsContact O-OG1 3.08Å; R172-G467 PolarHBondContact NH1-O 3.37Å; R172-H469 WeakPolarHBondContact CD-ND1 3.46Å; R172-H469 PolarHBondContact NE-CE1 3.28Å; R172-H469 PolarHBondContact NE-ND1 2.61Å; R172-P547 HydrophobicContact CG-CG 4.13Å
173	L	94.4	Very high	93.2	Very high	1 Å²	1	31 Å²	31	1%	0.005	16%	0.159	C	C	.	.	H	α-helix	trans	-65.9	-40.8	176.9	-69.9	176.5	0	0	0	111.6	P92 A169 I170 Y177 L466 P547 V548 L549	P92-L173 HydrophobicContact CB-CD1 3.71Å; P92-L173 HydrophobicContact CG-CD1 4.12Å; A169-L173 VanDerWaalsContact O-CG 3.27Å; A169-L173 WeakPolarHBondContact O-CG 3.27Å; A169-L173 PolarHBondContact O-N 3.11Å; I170-L173 WeakPolarHBondContact O-CB 3.43Å; I170-L173 PolarHBondContact O-N 3.38Å; I170-L173 VanDerWaalsContact O-N 3.11Å; L173-Y177 HydrophobicContact CD2-CD2 3.96Å; L173-Y177 HydrophobicContact CD2-CE2 3.78Å; L173-Y177 WeakPolarHBondContact O-CB 3.4Å; L173-Y177 PolarHBondContact O-N 2.83Å; L173-L466 HydrophobicContact CD1-CD1 4.21Å; L173-P547 HydrophobicContact CD2-CB 3.73Å; L173-V548 WeakPolarHBondContact CD2-O 3.2Å; L173-L549 HydrophobicContact CB-CD1 4.32Å; L173-L549 HydrophobicContact CD1-CD1 4.31Å; L173-L549 HydrophobicContact CD2-CB 4.33Å; L173-L549 HydrophobicContact CD2-CD1 4.1Å; L173-L549 HydrophobicContact CG-CD1 4.47Å
174	Q	95.1	Very high	93.5	Very high	5 Å²	5	30.7 Å²	30.7	2%	0.023	16%	0.158	C	C	.	.	H	α-helix	trans	-56.7	-55.9	175.9	-174.2	-171.9	-12.9	0	0	111.4	I170 L171 R172 K178 L179 L184 E221	I170-Q174 WeakPolarHBondContact O-CB 3.13Å; I170-Q174 PolarHBondContact O-N 2.77Å; L171-Q174 WeakPolarHBondContact O-CB 3.41Å; L171-Q174 PolarHBondContact O-N 2.04Å; R172-Q174 VanDerWaalsContact C-N 3.35Å; Q174-K178 CarbonylContact O-C 3.45Å; Q174-K178 VanDerWaalsContact O-CA 3.26Å; Q174-K178 WeakPolarHBondContact O-CA 3.32Å; Q174-K178 PolarHBondContact O-N 2.91Å; Q174-L179 WeakPolarHBondContact CG-O 3.13Å; Q174-L179 PolarHBondContact O-N 3.31Å; Q174-L184 HydrophobicContact CB-CD1 3.98Å; Q174-L184 HydrophobicContact CG-CD1 4.2Å; Q174-E221 PolarHBondContact NE2-OE2 3.23Å
175	S	93.3	Very high	93.8	Very high	40 Å²	40	28.4 Å²	28.4	28%	0.28	14%	0.142	S	C	.	.	H	α-helix	trans	-61.4	-58.3	178.4	44.5	0	0	0	0	112	L171 R172 Y177 K178	L171-S175 PolarHBondContact O-N 3.25Å; L171-S175 PolarHBondContact O-OG 3.08Å; R172-S175 WeakPolarHBondContact CA-OG 3.16Å; R172-S175 PolarHBondContact O-OG 2.83Å; R172-S175 VanDerWaalsContact O-OG 3.04Å; S175-Y177 VanDerWaalsContact C-N 3.32Å; S175-Y177 PolarHBondContact O-N 3Å; S175-K178 PolarHBondContact O-N 3.36Å; S175-K178 VanDerWaalsContact O-N 3.16Å
176	T	94.4	Very high	94.2	Very high	1 Å²	1	28.7 Å²	28.7	1%	0.006	13%	0.132	C	C	.	.	H	α-helix	trans	-59.3	-40.8	-174.3	-62.8	0	0	0	0	112.9	R172 E337 C340 R341 P547	R172-T176 VanDerWaalsContact O-CB 3.25Å; R172-T176 WeakPolarHBondContact O-CB 3.14Å; R172-T176 PolarHBondContact O-N 2.64Å; R172-T176 PolarHBondContact O-OG1 3.49Å; R172-T176 VanDerWaalsContact O-OG1 3.08Å; T176-E337 WeakPolarHBondContact CA-OE1 3.37Å; T176-E337 HydrophobicContact CG2-CB 4.2Å; T176-E337 HydrophobicContact CG2-CG 3.99Å; T176-E337 PolarHBondContact N-OE1 3.46Å; T176-E337 PolarHBondContact OG1-OE1 3.37Å; T176-C340 HydrophobicContact CG2-CB 3.78Å; T176-R341 VanDerWaalsContact O-CD 3.24Å; T176-R341 WeakPolarHBondContact O-CD 3.16Å; T176-R341 WeakPolarHBondContact O-CG 3.48Å; T176-R341 PolarHBondContact O-NH1 3.14Å; T176-P547 HydrophobicContact CG2-CG 3.94Å
177	Y	94.6	Very high	94.2	Very high	29 Å²	29	28.7 Å²	28.7	11%	0.114	13%	0.133	C	C	.	.	H	α-helix	trans	-99.2	7.6	-178	-64.9	-73.8	0	0	0	114.4	L173 S175 L179 C340 R341 G506 P547 L549	L173-Y177 HydrophobicContact CD2-CD2 3.96Å; L173-Y177 HydrophobicContact CD2-CE2 3.78Å; L173-Y177 WeakPolarHBondContact O-CB 3.4Å; L173-Y177 PolarHBondContact O-N 2.83Å; S175-Y177 VanDerWaalsContact C-N 3.32Å; S175-Y177 PolarHBondContact O-N 3Å; Y177-L179 PolarHBondContact O-N 3.13Å; Y177-C340 HydrophobicContact CE1-CB 4.38Å; Y177-C340 WeakPolarHBondContact CE1-O 3.39Å; Y177-R341 HydrophobicContact CD1-CG 4.27Å; Y177-G506 WeakPolarHBondContact OH-CA 3.43Å; Y177-P547 HydrophobicContact CE2-CB 4.27Å; Y177-P547 WeakPolarHBondContact CE2-O 3.44Å; Y177-P547 PolarHBondContact OH-O 3.23Å; Y177-L549 HydrophobicContact CD1-CD2 4.35Å; Y177-L549 HydrophobicContact CD2-CB 4.12Å; Y177-L549 HydrophobicContact CD2-CD1 4.05Å; Y177-L549 HydrophobicContact CD2-CD2 4.19Å; Y177-L549 HydrophobicContact CD2-CG 4.36Å; Y177-L549 HydrophobicContact CE2-CB 3.79Å; Y177-L549 HydrophobicContact CG-CD2 4.1Å
178	K	94.3	Very high	94	Very high	118 Å²	118	34 Å²	34	51%	0.513	16%	0.157	S	C	.	.	T	Hydrogen-bonded Turn	trans	49.7	43.4	-177.3	-66.4	178.1	175.5	164	0	112.3	Q174 S175 P180 E334 R341 E343	Q174-K178 CarbonylContact O-C 3.45Å; Q174-K178 VanDerWaalsContact O-CA 3.26Å; Q174-K178 WeakPolarHBondContact O-CA 3.32Å; Q174-K178 PolarHBondContact O-N 2.91Å; S175-K178 PolarHBondContact O-N 3.36Å; S175-K178 VanDerWaalsContact O-N 3.16Å; K178-P180 WeakPolarHBondContact O-CD 3.5Å; K178-E334 IonicContact NZ-OE1 2.73Å; K178-R341 VanDerWaalsContact CE-NH2 3.3Å; K178-E343 IonicContact NZ-OE2 2.73Å; K178-E343 PolarHBondContact NZ-OE2 2.92Å
179	L	94.2	Very high	93.8	Very high	17 Å²	17	32.2 Å²	32.2	9%	0.089	15%	0.148	C	C	.	.			trans	-82.5	126.2	-179.5	-55	169.4	0	0	0	108.8	Q174 Y177 A181 L184 L189 L549	Q174-L179 WeakPolarHBondContact CG-O 3.13Å; Q174-L179 PolarHBondContact O-N 3.31Å; Y177-L179 PolarHBondContact O-N 3.13Å; L179-A181 PolarHBondContact O-N 3.23Å; L179-L184 HydrophobicContact CB-CD1 4.42Å; L179-L184 HydrophobicContact CB-CG 4.47Å; L179-L184 HydrophobicContact CD1-CD2 4.21Å; L179-L189 HydrophobicContact CD1-CD1 4Å; L179-L549 HydrophobicContact CD1-CD1 3.62Å
180	P	95.6	Very high	93.3	Very high	57 Å²	57	34.2 Å²	34.2	37%	0.37	16%	0.158	S	C	.	.			trans	-61.6	135.8	171.1	-22.5	33.1	0	0	0	110.9	K178 R182 R183 L184 E221	K178-P180 WeakPolarHBondContact O-CD 3.5Å; P180-R182 PolarHBondContact O-N 2.99Å; P180-R182 VanDerWaalsContact O-N 3.12Å; P180-R183 HydrophobicContact CB-CG 4.38Å; P180-R183 HydrophobicContact CG-CG 4.36Å; P180-R183 WeakPolarHBondContact O-CB 3.16Å; P180-R183 PolarHBondContact O-N 3.01Å; P180-L184 PolarHBondContact O-N 3.49Å; P180-E221 VanDerWaalsContact CA-OE1 3.23Å; P180-E221 WeakPolarHBondContact CA-OE1 3.14Å
181	A	96.9	Very high	92.5	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-54.2	-34.5	176.2	0	0	0	0	0	111.4	L179 R183 L184 A185 E221 W222 V225	L179-A181 PolarHBondContact O-N 3.23Å; A181-R183 VanDerWaalsContact C-N 3.34Å; A181-R183 PolarHBondContact O-N 3.5Å; A181-L184 WeakPolarHBondContact O-CB 3.14Å; A181-L184 PolarHBondContact O-N 2.99Å; A181-A185 WeakPolarHBondContact O-CB 3.41Å; A181-A185 PolarHBondContact O-N 2.99Å; A181-E221 HydrophobicContact CB-CB 4.26Å; A181-E221 HydrophobicContact CB-CG 3.77Å; A181-E221 PolarHBondContact N-OE1 3.16Å; A181-W222 HydrophobicContact CB-CD2 3.84Å; A181-W222 HydrophobicContact CB-CE3 4.32Å; A181-W222 HydrophobicContact CB-CG 4.13Å; A181-W222 HydrophobicContact CB-CZ2 4.12Å; A181-V225 HydrophobicContact CB-CG2 4Å
182	R	96.1	Very high	91.7	Very high	111 Å²	111	47.6 Å²	47.6	42%	0.419	23%	0.229	S	C	.	.	H	α-helix	trans	-58.2	-43.3	174.1	-171.5	-178.3	-66.1	-82.4	1.1	111.9	P180 L184 A185 Y186 V225 D228	P180-R182 PolarHBondContact O-N 2.99Å; P180-R182 VanDerWaalsContact O-N 3.12Å; R182-L184 VanDerWaalsContact C-N 3.3Å; R182-L184 PolarHBondContact O-N 3.37Å; R182-A185 PolarHBondContact O-N 3.29Å; R182-Y186 HydrophobicContact CB-CD2 4.48Å; R182-Y186 HydrophobicContact CG-CD2 3.47Å; R182-Y186 VanDerWaalsContact CG-CD2 3.47Å; R182-Y186 HydrophobicContact CG-CE2 3.66Å; R182-Y186 HydrophobicContact CG-CG 4.38Å; R182-Y186 PolarHBondContact NH1-OH 2.8Å; R182-Y186 WeakPolarHBondContact O-CB 3.13Å; R182-Y186 VanDerWaalsContact O-CD2 3.22Å; R182-Y186 WeakPolarHBondContact O-CD2 3.4Å; R182-Y186 PolarHBondContact O-N 3.35Å; R182-V225 HydrophobicContact CB-CG2 4Å; R182-D228 IonicContact CZ-OD2 2.62Å; R182-D228 IonicContact NH1-OD2 2.72Å; R182-D228 PolarHBondContact NH1-OD2 2.86Å; R182-D228 IonicContact NH2-OD2 3.41Å; R182-D228 PolarHBondContact NH2-OD2 3.42Å
183	R	94.5	Very high	91.1	Very high	81 Å²	81	47.1 Å²	47.1	31%	0.306	23%	0.23	S	C	.	.	H	α-helix	trans	-64.1	-39	179.3	-74.3	-171.2	69.5	158.3	6.7	111.5	P180 A181 G187 Q188 D191	P180-R183 HydrophobicContact CB-CG 4.38Å; P180-R183 HydrophobicContact CG-CG 4.36Å; P180-R183 WeakPolarHBondContact O-CB 3.16Å; P180-R183 PolarHBondContact O-N 3.01Å; A181-R183 VanDerWaalsContact C-N 3.34Å; A181-R183 PolarHBondContact O-N 3.5Å; R183-G187 PolarHBondContact O-N 3.07Å; R183-Q188 HydrophobicContact CB-CB 4.3Å; R183-Q188 HydrophobicContact CG-CB 4.41Å; R183-Q188 PolarHBondContact NE-O 3.13Å; R183-Q188 PolarHBondContact NH2-O 2.75Å; R183-Q188 VanDerWaalsContact NH2-O 3.13Å; R183-Q188 CarbonylContact O-C 3.51Å; R183-Q188 WeakPolarHBondContact O-CA 3.43Å; R183-Q188 PolarHBondContact O-N 3.47Å; R183-D191 IonicContact NH2-OD1 3.82Å; R183-D191 PolarHBondContact NH2-OD1 3.3Å
184	L	93.9	Very high	90.6	Very high	3 Å²	3	51.5 Å²	51.5	2%	0.016	26%	0.261	C	S	.	.	H	α-helix	trans	-65	-45.7	176.1	-67.3	168.7	0	0	0	111.5	I170 Q174 L179 P180 A181 R182 L189 W222	I170-L184 HydrophobicContact CG2-CD1 4.12Å; Q174-L184 HydrophobicContact CB-CD1 3.98Å; Q174-L184 HydrophobicContact CG-CD1 4.2Å; L179-L184 HydrophobicContact CB-CD1 4.42Å; L179-L184 HydrophobicContact CB-CG 4.47Å; L179-L184 HydrophobicContact CD1-CD2 4.21Å; P180-L184 PolarHBondContact O-N 3.49Å; A181-L184 WeakPolarHBondContact O-CB 3.14Å; A181-L184 PolarHBondContact O-N 2.99Å; R182-L184 VanDerWaalsContact C-N 3.3Å; R182-L184 PolarHBondContact O-N 3.37Å; L184-L189 HydrophobicContact CD2-CD1 3.33Å; L184-W222 HydrophobicContact CB-CH2 3.88Å; L184-W222 HydrophobicContact CB-CZ2 4.15Å; L184-W222 HydrophobicContact CD1-CH2 4.48Å; L184-W222 HydrophobicContact CD1-CZ2 3.91Å
185	A	95.6	Very high	90.2	Very high	0 Å²	0	51.6 Å²	51.6	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-69.8	-36.4	-178.9	0	0	0	0	0	114	A181 R182 Q197 L198 W222 V225	A181-A185 WeakPolarHBondContact O-CB 3.41Å; A181-A185 PolarHBondContact O-N 2.99Å; R182-A185 PolarHBondContact O-N 3.29Å; A185-Q197 CarbonylContact O-C 3.49Å; A185-Q197 WeakPolarHBondContact O-CA 3.26Å; A185-L198 HydrophobicContact CB-CB 4.45Å; A185-L198 PolarHBondContact O-N 2.89Å; A185-W222 HydrophobicContact CB-CZ3 4.16Å; A185-V225 HydrophobicContact CB-CG1 3.34Å
186	Y	94.6	Very high	90	Very high	40 Å²	40	51.9 Å²	51.9	16%	0.157	26%	0.262	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.7	14.5	-175.7	-74	-97.8	0	0	0	114.1	R182 V225 R229 D232	R182-Y186 HydrophobicContact CB-CD2 4.48Å; R182-Y186 HydrophobicContact CG-CD2 3.47Å; R182-Y186 VanDerWaalsContact CG-CD2 3.47Å; R182-Y186 HydrophobicContact CG-CE2 3.66Å; R182-Y186 HydrophobicContact CG-CG 4.38Å; R182-Y186 PolarHBondContact NH1-OH 2.8Å; R182-Y186 WeakPolarHBondContact O-CB 3.13Å; R182-Y186 VanDerWaalsContact O-CD2 3.22Å; R182-Y186 WeakPolarHBondContact O-CD2 3.4Å; R182-Y186 PolarHBondContact O-N 3.35Å; Y186-V225 HydrophobicContact CE2-CG1 4.34Å; Y186-R229 HydrophobicContact CE2-CG 3.87Å; Y186-R229 WeakPolarHBondContact OH-CD 3.08Å; Y186-D232 WeakPolarHBondContact CE1-OD2 3.24Å; Y186-D232 PolarHBondContact OH-OD2 2.76Å
187	G	90.7	Very high	90	Very high	3 Å²	3	56.8 Å²	56.8	3%	0.031	29%	0.285	C	S	.	.	T	Hydrogen-bonded Turn	trans	86.1	17.6	170.6	0	0	0	0	0	115.5	R183 S194 T195	R183-G187 PolarHBondContact O-N 3.07Å; G187-S194 VanDerWaalsContact O-CA 3.23Å; G187-S194 WeakPolarHBondContact O-CA 3.27Å; G187-S194 PolarHBondContact O-OG 3.33Å; G187-T195 WeakPolarHBondContact CA-O 3.45Å; G187-T195 WeakPolarHBondContact CA-OG1 3.27Å; G187-T195 PolarHBondContact O-N 3.3Å
188	Q	89.8	Confident	90	Very high	113 Å²	113	55.4 Å²	55.4	53%	0.528	28%	0.28	S	S	.	.			trans	-119.9	43.8	-165.7	-61.8	178.5	-11.9	0	0	113.2	R183 I190	R183-Q188 HydrophobicContact CB-CB 4.3Å; R183-Q188 HydrophobicContact CG-CB 4.41Å; R183-Q188 PolarHBondContact NE-O 3.13Å; R183-Q188 PolarHBondContact NH2-O 2.75Å; R183-Q188 VanDerWaalsContact NH2-O 3.13Å; R183-Q188 CarbonylContact O-C 3.51Å; R183-Q188 WeakPolarHBondContact O-CA 3.43Å; R183-Q188 PolarHBondContact O-N 3.47Å; Q188-I190 PolarHBondContact O-N 3.45Å
189	L	86.4	Confident	90	Very high	1 Å²	1	50.9 Å²	50.9	1%	0.005	26%	0.263	C	S	.	.	S	Bend	trans	-48.6	-64	-171.2	-175.8	67	0	0	0	114.1	P92 L179 L184 T195 L549	P92-L189 HydrophobicContact CG-CD1 4.11Å; P92-L189 HydrophobicContact CG-CD2 3.65Å; L179-L189 HydrophobicContact CD1-CD1 4Å; L184-L189 HydrophobicContact CD2-CD1 3.33Å; L189-T195 HydrophobicContact CB-CG2 3.74Å; L189-T195 HydrophobicContact CD2-CG2 4.06Å; L189-T195 HydrophobicContact CG-CG2 4.41Å; L189-L549 HydrophobicContact CD1-CD1 3.92Å; L189-L549 HydrophobicContact CD2-CD1 4.42Å; L189-L549 HydrophobicContact CG-CD1 4.31Å
190	I	81.6	Confident	90.1	Very high	45 Å²	45	50 Å²	50	23%	0.231	26%	0.259	C	S	.	.	B	Isolated β-bridge	trans	-141.3	165.1	172.8	60.9	176.2	0	0	0	109.1	Q188 N192 L193 A505 L549	Q188-I190 PolarHBondContact O-N 3.45Å; I190-N192 PolarHBondContact O-N 3.09Å; I190-L193 HydrophobicContact CD1-CB 4.47Å; I190-L193 HydrophobicContact CD1-CD1 3.58Å; I190-L193 HydrophobicContact CD1-CG 4.37Å; I190-L193 HydrophobicContact CG1-CB 3.67Å; I190-L193 HydrophobicContact CG1-CD1 3.7Å; I190-L193 HydrophobicContact CG1-CG 4.08Å; I190-L193 PolarHBondContact O-N 2.99Å; I190-L193 VanDerWaalsContact O-O 3.11Å; I190-A505 HydrophobicContact CD1-CB 3.41Å; I190-A505 VanDerWaalsContact CD1-CB 3.41Å; I190-L549 HydrophobicContact CG2-CD2 3.68Å
191	D	79.3	Confident	90.1	Very high	127 Å²	127	48 Å²	48	68%	0.679	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.4	129.5	179.8	-55	-12.3	0	0	0	109.4	R183 L193	R183-D191 IonicContact NH2-OD1 3.82Å; R183-D191 PolarHBondContact NH2-OD1 3.3Å; D191-L193 VanDerWaalsContact C-N 3.32Å; D191-L193 PolarHBondContact O-N 2.78Å
192	N	77.2	Confident	90	Very high	166 Å²	166	48.7 Å²	48.7	89%	0.888	25%	0.25	S	C	*	.	T	Hydrogen-bonded Turn	trans	72.7	7.6	-172.7	-44.2	-48.8	0	0	0	116.7	I190	I190-N192 PolarHBondContact O-N 3.09Å
193	L	80.3	Confident	90.1	Very high	31 Å²	31	43.4 Å²	43.4	16%	0.162	23%	0.23	C	C	.	.	B	Isolated β-bridge	trans	-128.1	107.9	171	-82.2	178	0	0	0	111.8	I190 D191 Q504 A550	I190-L193 HydrophobicContact CD1-CB 4.47Å; I190-L193 HydrophobicContact CD1-CD1 3.58Å; I190-L193 HydrophobicContact CD1-CG 4.37Å; I190-L193 HydrophobicContact CG1-CB 3.67Å; I190-L193 HydrophobicContact CG1-CD1 3.7Å; I190-L193 HydrophobicContact CG1-CG 4.08Å; I190-L193 PolarHBondContact O-N 2.99Å; I190-L193 VanDerWaalsContact O-O 3.11Å; D191-L193 VanDerWaalsContact C-N 3.32Å; D191-L193 PolarHBondContact O-N 2.78Å; L193-Q504 HydrophobicContact CD1-CG 3.91Å; L193-Q504 VanDerWaalsContact CG-NE2 3.26Å; L193-A550 HydrophobicContact CD1-CB 3.45Å; L193-A550 VanDerWaalsContact CD1-CB 3.45Å
194	S	84.5	Confident	90.2	Very high	94 Å²	94	39.6 Å²	39.6	66%	0.657	22%	0.216	S	C	*	.			trans	-88.3	145.1	171.3	-168.9	0	0	0	0	111.3	N91 G187	N91-S194 PolarHBondContact ND2-O 2.96Å; N91-S194 VanDerWaalsContact ND2-O 3.09Å; G187-S194 VanDerWaalsContact O-CA 3.23Å; G187-S194 WeakPolarHBondContact O-CA 3.27Å; G187-S194 PolarHBondContact O-OG 3.33Å
195	T	86.3	Confident	90.3	Very high	7 Å²	7	41.8 Å²	41.8	4%	0.043	23%	0.225	C	C	.	.			trans	-112.5	159.7	169.9	51.2	0	0	0	0	108.5	N91 I93 G187 L189	N91-T195 WeakPolarHBondContact ND2-CG2 3.43Å; N91-T195 WeakPolarHBondContact OD1-CG2 3.41Å; I93-T195 HydrophobicContact CB-CG2 3.99Å; I93-T195 HydrophobicContact CG1-CG2 3.69Å; G187-T195 WeakPolarHBondContact CA-O 3.45Å; G187-T195 WeakPolarHBondContact CA-OG1 3.27Å; G187-T195 PolarHBondContact O-N 3.3Å; L189-T195 HydrophobicContact CB-CG2 3.74Å; L189-T195 HydrophobicContact CD2-CG2 4.06Å; L189-T195 HydrophobicContact CG-CG2 4.41Å
196	P	89.9	Confident	90.4	Very high	46 Å²	46	41.8 Å²	41.8	30%	0.299	23%	0.225	S	C	.	.	P	Polyproline II helix	trans	-55.3	151.2	162.3	-21	31.4	0	0	0	110.3	I93 N94 L97	I93-P196 HydrophobicContact CG2-CB 4.34Å; I93-P196 HydrophobicContact CG2-CG 4.47Å; N94-P196 WeakPolarHBondContact OD1-CD 3.02Å; N94-P196 WeakPolarHBondContact OD1-CG 3.39Å; L97-P196 HydrophobicContact CD1-CB 3.85Å; L97-P196 HydrophobicContact CD1-CG 4.2Å
197	Q	93.2	Very high	90.5	Very high	103 Å²	103	39.9 Å²	39.9	48%	0.481	22%	0.218	S	C	.	.	P	Polyproline II helix	trans	-77	141.5	171.1	-57.9	-172	20.1	0	0	109.5	A185	A185-Q197 CarbonylContact O-C 3.49Å; A185-Q197 WeakPolarHBondContact O-CA 3.26Å
198	L	95.2	Very high	90.9	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	23%	0.231	C	C	.	.	P	Polyproline II helix	trans	-84.8	142.9	172.9	-66.5	179.2	0	0	0	109.9	I93 Y96 L97 A185 Q202 W222 R229	I93-L198 HydrophobicContact CD1-CD1 4.28Å; I93-L198 HydrophobicContact CG2-CD2 3.71Å; I93-L198 HydrophobicContact CG2-CG 4.24Å; Y96-L198 HydrophobicContact CD1-CD2 4.12Å; Y96-L198 HydrophobicContact CE1-CD2 4.03Å; L97-L198 HydrophobicContact CD1-CD2 4.42Å; L97-L198 HydrophobicContact CD2-CD2 3.87Å; L97-L198 HydrophobicContact CG-CD2 4.27Å; A185-L198 HydrophobicContact CB-CB 4.45Å; A185-L198 PolarHBondContact O-N 2.89Å; L198-Q202 HydrophobicContact CB-CB 4.16Å; L198-Q202 HydrophobicContact CD2-CB 4.19Å; L198-W222 HydrophobicContact CD1-CH2 3.78Å; L198-W222 HydrophobicContact CD1-CZ3 3.77Å; L198-R229 VanDerWaalsContact O-CZ 3.26Å; L198-R229 PolarHBondContact O-NE 3.39Å; L198-R229 PolarHBondContact O-NH2 3.06Å
199	S	94.8	Very high	91.2	Very high	23 Å²	23	39.2 Å²	39.2	16%	0.161	21%	0.211	C	C	.	.	P	Polyproline II helix	trans	-69.6	164.2	170.6	69.4	0	0	0	0	111.7	A201 Q202 C203 E233 E257	S199-A201 PolarHBondContact O-N 2.96Å; S199-Q202 PolarHBondContact O-N 3.15Å; S199-Q202 WeakPolarHBondContact OG-CB 3.23Å; S199-Q202 VanDerWaalsContact OG-CD 3.29Å; S199-Q202 VanDerWaalsContact OG-CG 3.23Å; S199-Q202 WeakPolarHBondContact OG-CG 3.05Å; S199-Q202 PolarHBondContact OG-N 3.31Å; S199-Q202 VanDerWaalsContact OG-N 3.09Å; S199-C203 PolarHBondContact O-N 3.07Å; S199-C203 PolarHBondContact O-SG 3.5Å; S199-E233 VanDerWaalsContact C-OE1 3.32Å; S199-E233 WeakPolarHBondContact CA-OE1 3.44Å; S199-E233 WeakPolarHBondContact CB-OE1 3.47Å; S199-E257 PolarHBondContact OG-OE2 2.93Å; S199-E257 VanDerWaalsContact OG-OE2 3.07Å
200	A	96.2	Very high	91.7	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-56.4	-40.7	170.8	0	0	0	0	0	111.4	Q202 C203 L204 R229 L230 E233 P260	A200-Q202 PolarHBondContact O-N 3.4Å; A200-C203 PolarHBondContact O-N 3.35Å; A200-L204 WeakPolarHBondContact O-CB 3.36Å; A200-L204 PolarHBondContact O-N 3.46Å; A200-R229 HydrophobicContact CB-CB 4.1Å; A200-L230 HydrophobicContact CB-CB 3.89Å; A200-L230 HydrophobicContact CB-CD1 4.23Å; A200-E233 PolarHBondContact N-OE1 3.05Å; A200-P260 HydrophobicContact CB-CG 4.03Å
201	A	94.8	Very high	92.4	Very high	13 Å²	13	39.3 Å²	39.3	11%	0.107	21%	0.209	C	C	.	.	H	α-helix	trans	-61.2	-43.8	176.3	0	0	0	0	0	112.1	S199 L204 E205 E257	S199-A201 PolarHBondContact O-N 2.96Å; A201-L204 PolarHBondContact O-N 3.24Å; A201-E205 PolarHBondContact O-N 3.35Å; A201-E257 HydrophobicContact CB-CB 4.37Å
202	Q	95.6	Very high	93.2	Very high	15 Å²	15	39.7 Å²	39.7	7%	0.07	21%	0.21	C	C	.	.	H	α-helix	trans	-69.6	-39.2	178.3	-70.7	161.5	0.2	0	0	112.1	L97 L198 S199 A200 L204 E205 V206 E257	L97-Q202 HydrophobicContact CD2-CG 4.45Å; L198-Q202 HydrophobicContact CB-CB 4.16Å; L198-Q202 HydrophobicContact CD2-CB 4.19Å; S199-Q202 PolarHBondContact O-N 3.15Å; S199-Q202 WeakPolarHBondContact OG-CB 3.23Å; S199-Q202 VanDerWaalsContact OG-CD 3.29Å; S199-Q202 VanDerWaalsContact OG-CG 3.23Å; S199-Q202 WeakPolarHBondContact OG-CG 3.05Å; S199-Q202 PolarHBondContact OG-N 3.31Å; S199-Q202 VanDerWaalsContact OG-N 3.09Å; A200-Q202 PolarHBondContact O-N 3.4Å; Q202-L204 VanDerWaalsContact C-N 3.35Å; Q202-E205 WeakPolarHBondContact O-CB 3.4Å; Q202-E205 PolarHBondContact O-N 3.47Å; Q202-V206 WeakPolarHBondContact O-CG2 3.34Å; Q202-V206 PolarHBondContact O-N 3.01Å; Q202-V206 VanDerWaalsContact O-N 3.09Å; Q202-E257 WeakPolarHBondContact CG-OE1 3.12Å; Q202-E257 WeakPolarHBondContact CG-OE2 3.33Å; Q202-E257 PolarHBondContact NE2-OE1 3.36Å; Q202-E257 PolarHBondContact NE2-OE2 2.84Å
203	C	97.7	Very high	93.8	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-62	-43.5	173.9	-65.7	0	0	0	0	111.3	S199 A200 E205 V206 G207 W222 A226	S199-C203 PolarHBondContact O-N 3.07Å; S199-C203 PolarHBondContact O-SG 3.5Å; A200-C203 PolarHBondContact O-N 3.35Å; C203-E205 VanDerWaalsContact C-N 3.29Å; C203-E205 PolarHBondContact O-N 3.27Å; C203-V206 PolarHBondContact O-N 3.14Å; C203-G207 PolarHBondContact O-N 3.34Å; C203-W222 HydrophobicContact CB-CE3 4.03Å; C203-W222 HydrophobicContact CB-CZ3 4.24Å; C203-A226 HydrophobicContact CB-CB 3.72Å
204	L	97.2	Very high	94.4	Very high	2 Å²	2	38.2 Å²	38.2	1%	0.01	21%	0.207	C	C	.	.	H	α-helix	trans	-61.1	-38.6	175.3	177.4	65.8	0	0	0	111.5	A200 A201 Q202 G207 R208 F223 A226 P260 I265 Y268	A200-L204 WeakPolarHBondContact O-CB 3.36Å; A200-L204 PolarHBondContact O-N 3.46Å; A201-L204 PolarHBondContact O-N 3.24Å; Q202-L204 VanDerWaalsContact C-N 3.35Å; L204-G207 PolarHBondContact O-N 3.41Å; L204-R208 HydrophobicContact CD1-CG 4.35Å; L204-R208 HydrophobicContact CG-CG 4.49Å; L204-R208 VanDerWaalsContact CG-NH1 3.34Å; L204-R208 WeakPolarHBondContact O-CB 3.46Å; L204-R208 WeakPolarHBondContact O-CG 3.49Å; L204-R208 PolarHBondContact O-N 2.88Å; L204-F223 HydrophobicContact CD1-CD1 3.67Å; L204-F223 HydrophobicContact CD1-CE1 3.59Å; L204-A226 HydrophobicContact CB-CB 4.18Å; L204-P260 HydrophobicContact CD2-CB 3.44Å; L204-P260 VanDerWaalsContact CD2-CB 3.44Å; L204-P260 HydrophobicContact CD2-CG 4.35Å; L204-I265 HydrophobicContact CD1-CG1 4.22Å; L204-I265 HydrophobicContact CD2-CG1 4.47Å; L204-Y268 HydrophobicContact CD1-CD2 4.14Å
205	E	95.3	Very high	94.8	Very high	48 Å²	48	36.3 Å²	36.3	22%	0.224	19%	0.19	C	C	.	.	H	α-helix	trans	-63.8	-45.6	177.1	-174.4	170.4	152.3	0	0	112.8	K100 A201 Q202 C203 G207 R208 H209	K100-E205 IonicContact NZ-OE1 3.84Å; K100-E205 PolarHBondContact NZ-OE1 3.38Å; K100-E205 IonicContact NZ-OE2 3.86Å; K100-E205 PolarHBondContact NZ-OE2 3.27Å; A201-E205 PolarHBondContact O-N 3.35Å; Q202-E205 WeakPolarHBondContact O-CB 3.4Å; Q202-E205 PolarHBondContact O-N 3.47Å; C203-E205 VanDerWaalsContact C-N 3.29Å; C203-E205 PolarHBondContact O-N 3.27Å; E205-G207 VanDerWaalsContact C-N 3.33Å; E205-G207 PolarHBondContact O-N 3.49Å; E205-R208 PolarHBondContact O-N 3.28Å; E205-H209 PolarHBondContact O-N 3.46Å
206	V	97.1	Very high	95.2	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-61.1	-44.8	174.6	179.8	0	0	0	0	110.6	V167 L171 Q202 C203 R208 H209 A210 W222	V167-V206 HydrophobicContact CG1-CB 4.26Å; V167-V206 HydrophobicContact CG1-CG1 4.03Å; V167-V206 HydrophobicContact CG1-CG2 4.18Å; L171-V206 HydrophobicContact CD2-CG1 3.8Å; L171-V206 HydrophobicContact CG-CG1 4.2Å; Q202-V206 WeakPolarHBondContact O-CG2 3.34Å; Q202-V206 PolarHBondContact O-N 3.01Å; Q202-V206 VanDerWaalsContact O-N 3.09Å; C203-V206 PolarHBondContact O-N 3.14Å; V206-R208 PolarHBondContact O-N 3.48Å; V206-H209 WeakPolarHBondContact O-CB 3.41Å; V206-H209 PolarHBondContact O-N 3.24Å; V206-H209 VanDerWaalsContact O-N 3.15Å; V206-A210 PolarHBondContact O-N 2.97Å; V206-W222 HydrophobicContact CB-CD2 3.87Å; V206-W222 HydrophobicContact CB-CE3 3.99Å; V206-W222 HydrophobicContact CB-CG 4.33Å; V206-W222 HydrophobicContact CB-CH2 4.45Å; V206-W222 HydrophobicContact CB-CZ2 4.36Å; V206-W222 HydrophobicContact CB-CZ3 4.27Å; V206-W222 HydrophobicContact CG1-CD2 3.57Å; V206-W222 HydrophobicContact CG1-CE3 4.14Å; V206-W222 HydrophobicContact CG1-CG 3.95Å; V206-W222 HydrophobicContact CG1-CH2 4.2Å; V206-W222 HydrophobicContact CG1-CZ2 3.65Å; V206-W222 HydrophobicContact CG1-CZ3 4.42Å; V206-W222 HydrophobicContact CG2-CH2 4.49Å; V206-W222 HydrophobicContact CG2-CZ3 4.47Å
207	G	98.2	Very high	95.4	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-62.2	-38.7	176.5	0	0	0	0	0	113.6	C203 L204 E205 H209 A210 Y211 S219 W222 F223	C203-G207 PolarHBondContact O-N 3.34Å; L204-G207 PolarHBondContact O-N 3.41Å; E205-G207 VanDerWaalsContact C-N 3.33Å; E205-G207 PolarHBondContact O-N 3.49Å; G207-H209 VanDerWaalsContact C-N 3.35Å; G207-A210 PolarHBondContact O-N 3.42Å; G207-Y211 WeakPolarHBondContact O-CB 3.28Å; G207-Y211 PolarHBondContact O-N 3.23Å; G207-S219 PolarHBondContact O-OG 2.84Å; G207-W222 VanDerWaalsContact CA-CB 3.43Å; G207-F223 VanDerWaalsContact O-CZ 3.29Å; G207-F223 WeakPolarHBondContact O-CZ 3.23Å
208	R	97.8	Very high	95.5	Very high	79 Å²	79	36.3 Å²	36.3	30%	0.298	19%	0.185	S	C	.	.	H	α-helix	trans	-67.1	-35.8	173.6	-77.9	-168.1	-55.1	-111.6	-3.7	111.9	L204 E205 V206 Y211 L212 F223 Y268	L204-R208 HydrophobicContact CD1-CG 4.35Å; L204-R208 HydrophobicContact CG-CG 4.49Å; L204-R208 VanDerWaalsContact CG-NH1 3.34Å; L204-R208 WeakPolarHBondContact O-CB 3.46Å; L204-R208 WeakPolarHBondContact O-CG 3.49Å; L204-R208 PolarHBondContact O-N 2.88Å; E205-R208 PolarHBondContact O-N 3.28Å; V206-R208 PolarHBondContact O-N 3.48Å; R208-Y211 WeakPolarHBondContact O-CB 2.91Å; R208-Y211 PolarHBondContact O-N 3.37Å; R208-L212 VanDerWaalsContact O-CG 3.28Å; R208-L212 WeakPolarHBondContact O-CG 3.47Å; R208-L212 PolarHBondContact O-N 3.03Å; R208-F223 HydrophobicContact CG-CE1 4.15Å; R208-F223 HydrophobicContact CG-CZ 4.31Å; R208-Y268 HydrophobicContact CG-CD2 4.31Å; R208-Y268 HydrophobicContact CG-CE1 4.21Å; R208-Y268 HydrophobicContact CG-CE2 3.94Å
209	H	95.9	Very high	95.7	Very high	24 Å²	24	36.3 Å²	36.3	11%	0.111	19%	0.185	C	C	.	.	H	α-helix	trans	-62.5	-49.6	175.2	-161.1	-76.6	0	0	0	110.7	V167 D168 L171 E205 V206 G207 Y211 L212 Q213	V167-H209 HydrophobicContact CB-CB 4.37Å; V167-H209 HydrophobicContact CG1-CB 3.4Å; D168-H209 IonicContact OD1-CE1 2.77Å; D168-H209 PolarHBondContact OD1-CE1 3.11Å; D168-H209 IonicContact OD1-ND1 3.21Å; D168-H209 PolarHBondContact OD1-ND1 2.84Å; D168-H209 IonicContact OD2-CE1 3.21Å; L171-H209 HydrophobicContact CD1-CB 4.42Å; E205-H209 PolarHBondContact O-N 3.46Å; V206-H209 WeakPolarHBondContact O-CB 3.41Å; V206-H209 PolarHBondContact O-N 3.24Å; V206-H209 VanDerWaalsContact O-N 3.15Å; G207-H209 VanDerWaalsContact C-N 3.35Å; H209-Y211 VanDerWaalsContact C-N 3.32Å; H209-Y211 PolarHBondContact O-N 3.43Å; H209-L212 PolarHBondContact O-N 2.89Å; H209-Q213 WeakPolarHBondContact O-CG 3.5Å; H209-Q213 PolarHBondContact O-N 3.48Å; H209-Q213 VanDerWaalsContact O-N 3.11Å
210	A	96.9	Very high	95.8	Very high	1 Å²	1	36 Å²	36	1%	0.008	18%	0.181	C	C	.	.	H	α-helix	trans	-58.2	-42.9	174.5	0	0	0	0	0	112.2	L171 V206 G207 L212 Q213 G214 D215 Q218	L171-A210 HydrophobicContact CD1-CB 3.92Å; L171-A210 HydrophobicContact CD2-CB 3.99Å; V206-A210 PolarHBondContact O-N 2.97Å; G207-A210 PolarHBondContact O-N 3.42Å; A210-L212 VanDerWaalsContact C-N 3.35Å; A210-L212 PolarHBondContact O-N 2.97Å; A210-Q213 PolarHBondContact O-N 3.48Å; A210-G214 PolarHBondContact O-N 3.46Å; A210-D215 PolarHBondContact O-N 3.39Å; A210-Q218 HydrophobicContact CB-CB 4.22Å
211	Y	96.9	Very high	95.9	Very high	47 Å²	47	39.2 Å²	39.2	18%	0.184	20%	0.196	C	C	.	.	H	α-helix	trans	-55.3	-46.9	174.8	176.5	-84	0	0	0	112.3	G207 R208 H209 Q213 G214 F216 S219 F223 Y268 Y271	G207-Y211 WeakPolarHBondContact O-CB 3.28Å; G207-Y211 PolarHBondContact O-N 3.23Å; R208-Y211 WeakPolarHBondContact O-CB 2.91Å; R208-Y211 PolarHBondContact O-N 3.37Å; H209-Y211 VanDerWaalsContact C-N 3.32Å; H209-Y211 PolarHBondContact O-N 3.43Å; Y211-Q213 VanDerWaalsContact C-N 3.31Å; Y211-Q213 PolarHBondContact O-N 2.96Å; Y211-G214 PolarHBondContact O-N 3.4Å; Y211-F216 HydrophobicContact CD2-CD1 4.37Å; Y211-F216 HydrophobicContact CD2-CE1 4.07Å; Y211-F216 HydrophobicContact CE2-CE1 4.19Å; Y211-S219 WeakPolarHBondContact CB-OG 3.36Å; Y211-F223 HydrophobicContact CD2-CE2 4.32Å; Y211-Y268 HydrophobicContact CD1-CD1 4.45Å; Y211-Y268 HydrophobicContact CD1-CE1 4.26Å; Y211-Y268 AromaticContact CD2-CD1 3.93Å; Y211-Y268 HydrophobicContact CD2-CD1 3.93Å; Y211-Y268 HydrophobicContact CE1-CD1 4.47Å; Y211-Y268 HydrophobicContact CE1-CE1 4.2Å; Y211-Y268 AromaticContact CE2-CD1 3.88Å; Y211-Y268 HydrophobicContact CE2-CD1 3.88Å; Y211-Y268 HydrophobicContact CE2-CE1 4.4Å; Y211-Y268 HydrophobicContact CG-CD1 4.22Å; Y211-Y268 HydrophobicContact CG-CE1 4.45Å; Y211-Y271 HydrophobicContact CD2-CD1 4.32Å; Y211-Y271 AromaticContact CE2-CD1 3.26Å; Y211-Y271 HydrophobicContact CE2-CD1 3.26Å; Y211-Y271 AromaticContact CE2-CE1 3.77Å; Y211-Y271 HydrophobicContact CE2-CE1 3.77Å; Y211-Y271 AromaticContact CE2-CG 3.97Å; Y211-Y271 HydrophobicContact CE2-CG 3.97Å; Y211-Y271 AromaticContact CZ-CD1 3.7Å; Y211-Y271 AromaticContact CZ-CE1 3.8Å; Y211-Y271 WeakPolarHBondContact OH-CD1 3.34Å; Y211-Y271 VanDerWaalsContact OH-CE1 3.27Å; Y211-Y271 WeakPolarHBondContact OH-CE1 3.45Å
212	L	95.6	Very high	96.1	Very high	134 Å²	134	38.6 Å²	38.6	70%	0.702	19%	0.191	S	C	*	.	H	α-helix	trans	-69.1	-28.9	-179.3	-70.7	172.5	0	0	0	112.6	R208 H209 A210 G214	R208-L212 VanDerWaalsContact O-CG 3.28Å; R208-L212 WeakPolarHBondContact O-CG 3.47Å; R208-L212 PolarHBondContact O-N 3.03Å; H209-L212 PolarHBondContact O-N 2.89Å; A210-L212 VanDerWaalsContact C-N 3.35Å; A210-L212 PolarHBondContact O-N 2.97Å; L212-G214 PolarHBondContact O-N 3.31Å
213	Q	90.7	Very high	96.2	Very high	128 Å²	128	37.9 Å²	37.9	60%	0.598	19%	0.187	S	C	*	.	H	α-helix	trans	-76.6	-7.6	171.4	-60.1	-52.9	-40.2	0	0	113	H209 A210 Y211 D215	H209-Q213 WeakPolarHBondContact O-CG 3.5Å; H209-Q213 PolarHBondContact O-N 3.48Å; H209-Q213 VanDerWaalsContact O-N 3.11Å; A210-Q213 PolarHBondContact O-N 3.48Å; Y211-Q213 VanDerWaalsContact C-N 3.31Å; Y211-Q213 PolarHBondContact O-N 2.96Å; Q213-D215 VanDerWaalsContact C-N 3.31Å
214	G	92.2	Very high	96.3	Very high	39 Å²	39	42.2 Å²	42.2	40%	0.402	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	80	9.1	-177.6	0	0	0	0	0	114.3	A210 Y211 L212 F216	A210-G214 PolarHBondContact O-N 3.46Å; Y211-G214 PolarHBondContact O-N 3.4Å; L212-G214 PolarHBondContact O-N 3.31Å; G214-F216 VanDerWaalsContact O-CD2 3.24Å; G214-F216 WeakPolarHBondContact O-CD2 3.22Å; G214-F216 WeakPolarHBondContact O-CE2 3.45Å; G214-F216 PolarHBondContact O-N 3.37Å; G214-F216 VanDerWaalsContact O-N 3.13Å
215	D	93.2	Very high	96.3	Very high	54 Å²	54	42.4 Å²	42.4	29%	0.289	21%	0.205	S	C	.	.			trans	-83.3	84.1	172.9	-170.4	-26.8	0	0	0	109.7	A210 Q213 E217 Q218 S219	A210-D215 PolarHBondContact O-N 3.39Å; Q213-D215 VanDerWaalsContact C-N 3.31Å; D215-E217 PolarHBondContact O-N 3.29Å; D215-E217 PolarHBondContact OD1-N 3.19Å; D215-Q218 PolarHBondContact OD1-N 2.88Å; D215-Q218 PolarHBondContact OD2-NE2 2.98Å; D215-S219 WeakPolarHBondContact O-CB 3.45Å; D215-S219 PolarHBondContact O-N 3.48Å
216	F	95.3	Very high	96.5	Very high	27 Å²	27	40.1 Å²	40.1	12%	0.118	19%	0.194	C	C	.	.	H	α-helix	trans	-73	-15.8	-177.7	-60.3	-65.3	0	0	0	113.6	Y211 G214 E220 Y271 R275 Q276	Y211-F216 HydrophobicContact CD2-CD1 4.37Å; Y211-F216 HydrophobicContact CD2-CE1 4.07Å; Y211-F216 HydrophobicContact CE2-CE1 4.19Å; G214-F216 VanDerWaalsContact O-CD2 3.24Å; G214-F216 WeakPolarHBondContact O-CD2 3.22Å; G214-F216 WeakPolarHBondContact O-CE2 3.45Å; G214-F216 PolarHBondContact O-N 3.37Å; G214-F216 VanDerWaalsContact O-N 3.13Å; F216-E220 WeakPolarHBondContact O-CB 3.18Å; F216-E220 PolarHBondContact O-N 2.86Å; F216-E220 VanDerWaalsContact O-N 3.13Å; F216-Y271 HydrophobicContact CE1-CD1 4.14Å; F216-Y271 AromaticContact CE1-CE1 3.9Å; F216-Y271 HydrophobicContact CE1-CE1 3.9Å; F216-Y271 HydrophobicContact CZ-CE1 4.23Å; F216-R275 HydrophobicContact CB-CB 4.27Å; F216-R275 HydrophobicContact CD1-CB 3.92Å; F216-R275 HydrophobicContact CD1-CG 4.13Å; F216-R275 HydrophobicContact CD2-CB 3.46Å; F216-R275 VanDerWaalsContact CD2-CB 3.46Å; F216-R275 HydrophobicContact CD2-CG 4.15Å; F216-R275 HydrophobicContact CE1-CB 4.13Å; F216-R275 HydrophobicContact CE1-CG 3.88Å; F216-R275 HydrophobicContact CE2-CB 3.7Å; F216-R275 HydrophobicContact CE2-CG 3.9Å; F216-R275 HydrophobicContact CG-CB 3.58Å; F216-R275 HydrophobicContact CG-CG 4.26Å; F216-R275 HydrophobicContact CZ-CB 4.04Å; F216-R275 HydrophobicContact CZ-CG 3.76Å; F216-Q276 HydrophobicContact CB-CG 4.03Å; F216-Q276 PolarHBondContact O-NE2 3.1Å
217	E	93.4	Very high	96.5	Very high	105 Å²	105	43.3 Å²	43.3	49%	0.491	21%	0.207	S	C	.	.	H	α-helix	trans	-76.8	-54.6	178.2	-70.5	178.9	-173	0	0	110.1	D215 S219 E220 E221 Q276 R322	D215-E217 PolarHBondContact O-N 3.29Å; D215-E217 PolarHBondContact OD1-N 3.19Å; E217-S219 VanDerWaalsContact C-N 3.3Å; E217-S219 PolarHBondContact O-N 2.84Å; E217-E220 PolarHBondContact O-N 2.97Å; E217-E221 PolarHBondContact O-N 2.92Å; E217-Q276 HydrophobicContact CG-CG 4.4Å; E217-R322 IonicContact OE1-CZ 3.92Å; E217-R322 IonicContact OE1-NH2 3.47Å; E217-R322 PolarHBondContact OE1-NH2 3.43Å; E217-R322 IonicContact OE2-NH2 3.92Å
218	Q	96.3	Very high	96.5	Very high	24 Å²	24	45.7 Å²	45.7	11%	0.112	22%	0.219	C	C	.	.	H	α-helix	trans	-64.3	-38.5	174.4	-70.2	-170.6	92.4	0	0	111.4	L171 A210 D215 E220 E221 W222	L171-Q218 HydrophobicContact CD2-CB 4.31Å; L171-Q218 PolarHBondContact O-OE1 2.67Å; L171-Q218 VanDerWaalsContact O-OE1 3.05Å; A210-Q218 HydrophobicContact CB-CB 4.22Å; D215-Q218 PolarHBondContact OD1-N 2.88Å; D215-Q218 PolarHBondContact OD2-NE2 2.98Å; Q218-E220 PolarHBondContact O-N 3.18Å; Q218-E221 PolarHBondContact O-N 3.07Å; Q218-W222 VanDerWaalsContact O-CD1 3.25Å; Q218-W222 PolarHBondContact O-N 2.98Å
219	S	98.1	Very high	96.4	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-57.7	-46.7	177.4	174.8	0	0	0	0	112.6	G207 Y211 D215 E217 E221 W222 F223 S272	G207-S219 PolarHBondContact O-OG 2.84Å; Y211-S219 WeakPolarHBondContact CB-OG 3.36Å; D215-S219 WeakPolarHBondContact O-CB 3.45Å; D215-S219 PolarHBondContact O-N 3.48Å; E217-S219 VanDerWaalsContact C-N 3.3Å; E217-S219 PolarHBondContact O-N 2.84Å; S219-E221 VanDerWaalsContact C-N 3.35Å; S219-E221 PolarHBondContact O-N 3.21Å; S219-W222 PolarHBondContact O-N 2.85Å; S219-F223 WeakPolarHBondContact O-CD2 3.43Å; S219-F223 VanDerWaalsContact O-CG 3.27Å; S219-F223 WeakPolarHBondContact O-CG 3.48Å; S219-F223 PolarHBondContact O-N 2.91Å; S219-F223 WeakPolarHBondContact OG-CE2 3.28Å; S219-F223 WeakPolarHBondContact OG-CZ 3.3Å; S219-S272 PolarHBondContact OG-OG 3.17Å
220	E	97.7	Very high	96.4	Very high	16 Å²	16	41.5 Å²	41.5	8%	0.075	20%	0.203	C	C	.	.	H	α-helix	trans	-58.1	-48.2	174.7	-180	-159.4	164.9	0	0	111.3	F216 E217 Q218 W222 F223 R224 L269 L273 Q276 R278	F216-E220 WeakPolarHBondContact O-CB 3.18Å; F216-E220 PolarHBondContact O-N 2.86Å; F216-E220 VanDerWaalsContact O-N 3.13Å; E217-E220 PolarHBondContact O-N 2.97Å; Q218-E220 PolarHBondContact O-N 3.18Å; E220-W222 VanDerWaalsContact C-N 3.3Å; E220-W222 PolarHBondContact O-N 3.25Å; E220-F223 PolarHBondContact O-N 3.07Å; E220-R224 WeakPolarHBondContact O-CG 3.44Å; E220-R224 PolarHBondContact O-N 3.11Å; E220-R224 IonicContact OE1-CZ 2.96Å; E220-R224 IonicContact OE1-NE 3.66Å; E220-R224 PolarHBondContact OE1-NE 3.46Å; E220-R224 IonicContact OE1-NH2 2.67Å; E220-R224 PolarHBondContact OE1-NH2 2.9Å; E220-L269 HydrophobicContact CB-CD1 4.34Å; E220-L269 HydrophobicContact CG-CD1 3.55Å; E220-L273 VanDerWaalsContact CD-CD2 3.44Å; E220-L273 HydrophobicContact CG-CD2 4.05Å; E220-L273 HydrophobicContact CG-CG 4.23Å; E220-L273 WeakPolarHBondContact OE1-CD2 3.44Å; E220-Q276 PolarHBondContact OE2-NE2 3.05Å; E220-Q276 PolarHBondContact OE2-OE1 3Å; E220-R278 VanDerWaalsContact CD-NH1 3.27Å; E220-R278 IonicContact OE1-CZ 2.73Å; E220-R278 IonicContact OE1-NH1 3.53Å; E220-R278 PolarHBondContact OE1-NH1 2.96Å; E220-R278 VanDerWaalsContact OE1-NH1 3.15Å; E220-R278 IonicContact OE1-NH2 3.35Å; E220-R278 PolarHBondContact OE1-NH2 3.16Å; E220-R278 IonicContact OE2-CZ 3.65Å; E220-R278 IonicContact OE2-NH1 3.54Å; E220-R278 PolarHBondContact OE2-NH1 2.99Å
221	E	98.3	Very high	96.2	Very high	67 Å²	67	45.5 Å²	45.5	31%	0.313	22%	0.22	S	C	.	.	H	α-helix	trans	-57.6	-45.9	-177.5	-158.8	-170.9	170.1	0	0	111.1	Q174 P180 A181 E217 Q218 S219 R224 V225	Q174-E221 PolarHBondContact NE2-OE2 3.23Å; P180-E221 VanDerWaalsContact CA-OE1 3.23Å; P180-E221 WeakPolarHBondContact CA-OE1 3.14Å; A181-E221 HydrophobicContact CB-CB 4.26Å; A181-E221 HydrophobicContact CB-CG 3.77Å; A181-E221 PolarHBondContact N-OE1 3.16Å; E217-E221 PolarHBondContact O-N 2.92Å; Q218-E221 PolarHBondContact O-N 3.07Å; S219-E221 VanDerWaalsContact C-N 3.35Å; S219-E221 PolarHBondContact O-N 3.21Å; E221-R224 PolarHBondContact O-N 3.21Å; E221-V225 WeakPolarHBondContact O-CG2 3.39Å; E221-V225 PolarHBondContact O-N 3.06Å; E221-V225 VanDerWaalsContact O-N 3.11Å
222	W	98.7	Very high	96.1	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-66.3	-36.7	177.3	-82.8	103.8	0	0	0	113.7	I170 A181 L184 A185 L198 C203 V206 G207 Q218 S219 E220 V225 A226	I170-W222 HydrophobicContact CG2-CZ2 3.97Å; A181-W222 HydrophobicContact CB-CD2 3.84Å; A181-W222 HydrophobicContact CB-CE3 4.32Å; A181-W222 HydrophobicContact CB-CG 4.13Å; A181-W222 HydrophobicContact CB-CZ2 4.12Å; L184-W222 HydrophobicContact CB-CH2 3.88Å; L184-W222 HydrophobicContact CB-CZ2 4.15Å; L184-W222 HydrophobicContact CD1-CH2 4.48Å; L184-W222 HydrophobicContact CD1-CZ2 3.91Å; A185-W222 HydrophobicContact CB-CZ3 4.16Å; L198-W222 HydrophobicContact CD1-CH2 3.78Å; L198-W222 HydrophobicContact CD1-CZ3 3.77Å; C203-W222 HydrophobicContact CB-CE3 4.03Å; C203-W222 HydrophobicContact CB-CZ3 4.24Å; V206-W222 HydrophobicContact CB-CD2 3.87Å; V206-W222 HydrophobicContact CB-CE3 3.99Å; V206-W222 HydrophobicContact CB-CG 4.33Å; V206-W222 HydrophobicContact CB-CH2 4.45Å; V206-W222 HydrophobicContact CB-CZ2 4.36Å; V206-W222 HydrophobicContact CB-CZ3 4.27Å; V206-W222 HydrophobicContact CG1-CD2 3.57Å; V206-W222 HydrophobicContact CG1-CE3 4.14Å; V206-W222 HydrophobicContact CG1-CG 3.95Å; V206-W222 HydrophobicContact CG1-CH2 4.2Å; V206-W222 HydrophobicContact CG1-CZ2 3.65Å; V206-W222 HydrophobicContact CG1-CZ3 4.42Å; V206-W222 HydrophobicContact CG2-CH2 4.49Å; V206-W222 HydrophobicContact CG2-CZ3 4.47Å; G207-W222 VanDerWaalsContact CA-CB 3.43Å; Q218-W222 VanDerWaalsContact O-CD1 3.25Å; Q218-W222 PolarHBondContact O-N 2.98Å; S219-W222 PolarHBondContact O-N 2.85Å; E220-W222 VanDerWaalsContact C-N 3.3Å; E220-W222 PolarHBondContact O-N 3.25Å; W222-V225 PolarHBondContact O-N 2.6Å; W222-A226 WeakPolarHBondContact O-CB 3.21Å; W222-A226 PolarHBondContact O-N 2.94Å
223	F	98.7	Very high	95.9	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-70.5	-33	177.2	-62.7	-41	0	0	0	112.8	L204 G207 R208 Y211 S219 E220 A226 Y227 I265 Y268 L269	L204-F223 HydrophobicContact CD1-CD1 3.67Å; L204-F223 HydrophobicContact CD1-CE1 3.59Å; G207-F223 VanDerWaalsContact O-CZ 3.29Å; G207-F223 WeakPolarHBondContact O-CZ 3.23Å; R208-F223 HydrophobicContact CG-CE1 4.15Å; R208-F223 HydrophobicContact CG-CZ 4.31Å; Y211-F223 HydrophobicContact CD2-CE2 4.32Å; S219-F223 WeakPolarHBondContact O-CD2 3.43Å; S219-F223 VanDerWaalsContact O-CG 3.27Å; S219-F223 WeakPolarHBondContact O-CG 3.48Å; S219-F223 PolarHBondContact O-N 2.91Å; S219-F223 WeakPolarHBondContact OG-CE2 3.28Å; S219-F223 WeakPolarHBondContact OG-CZ 3.3Å; E220-F223 PolarHBondContact O-N 3.07Å; F223-A226 PolarHBondContact O-N 3.32Å; F223-Y227 WeakPolarHBondContact O-CB 3.32Å; F223-Y227 PolarHBondContact O-N 2.73Å; F223-I265 HydrophobicContact CB-CG2 4.29Å; F223-I265 VanDerWaalsContact O-CG2 3.24Å; F223-I265 WeakPolarHBondContact O-CG2 3.4Å; F223-Y268 HydrophobicContact CE1-CG 4.21Å; F223-Y268 HydrophobicContact CE2-CD1 4.4Å; F223-Y268 HydrophobicContact CE2-CG 4.16Å; F223-Y268 VanDerWaalsContact CZ-CB 3.48Å; F223-Y268 HydrophobicContact CZ-CD1 4.04Å; F223-Y268 AromaticContact CZ-CG 3.8Å; F223-Y268 HydrophobicContact CZ-CG 3.8Å; F223-L269 HydrophobicContact CB-CB 4.01Å; F223-L269 HydrophobicContact CB-CD1 4.2Å
224	R	98.2	Very high	95.8	Very high	92 Å²	92	37.3 Å²	37.3	35%	0.347	18%	0.184	S	C	.	.	H	α-helix	trans	-63.4	-44.7	170.6	-68.4	-178.6	-177.5	-77.5	3.5	111.2	E220 E221 Y227 D228 L269 E281	E220-R224 WeakPolarHBondContact O-CG 3.44Å; E220-R224 PolarHBondContact O-N 3.11Å; E220-R224 IonicContact OE1-CZ 2.96Å; E220-R224 IonicContact OE1-NE 3.66Å; E220-R224 PolarHBondContact OE1-NE 3.46Å; E220-R224 IonicContact OE1-NH2 2.67Å; E220-R224 PolarHBondContact OE1-NH2 2.9Å; E221-R224 PolarHBondContact O-N 3.21Å; R224-Y227 WeakPolarHBondContact O-CB 3.42Å; R224-Y227 PolarHBondContact O-N 3.07Å; R224-D228 PolarHBondContact O-N 3.36Å; R224-L269 HydrophobicContact CG-CD1 3.89Å; R224-L269 HydrophobicContact CG-CD2 4.21Å; R224-E281 IonicContact NH2-OE2 3.54Å
225	V	98.3	Very high	95.7	Very high	5 Å²	5	41.1 Å²	41.1	3%	0.03	19%	0.191	C	C	.	.	H	α-helix	trans	-64.4	-40.1	176.5	173.2	0	0	0	0	111.6	A181 R182 A185 Y186 E221 W222 Y227 D228 R229	A181-V225 HydrophobicContact CB-CG2 4Å; R182-V225 HydrophobicContact CB-CG2 4Å; A185-V225 HydrophobicContact CB-CG1 3.34Å; Y186-V225 HydrophobicContact CE2-CG1 4.34Å; E221-V225 WeakPolarHBondContact O-CG2 3.39Å; E221-V225 PolarHBondContact O-N 3.06Å; E221-V225 VanDerWaalsContact O-N 3.11Å; W222-V225 PolarHBondContact O-N 2.6Å; V225-Y227 VanDerWaalsContact C-N 3.33Å; V225-Y227 PolarHBondContact O-N 3.08Å; V225-D228 PolarHBondContact O-N 2.85Å; V225-R229 HydrophobicContact CG1-CG 4.27Å; V225-R229 WeakPolarHBondContact O-CB 3.34Å; V225-R229 VanDerWaalsContact O-CG 3.31Å; V225-R229 WeakPolarHBondContact O-CG 3.37Å; V225-R229 PolarHBondContact O-N 3.07Å
226	A	98.4	Very high	95.5	Very high	0 Å²	0	43 Å²	43	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-63	-40.4	175.5	0	0	0	0	0	112	C203 L204 W222 F223 L230 I265	C203-A226 HydrophobicContact CB-CB 3.72Å; L204-A226 HydrophobicContact CB-CB 4.18Å; W222-A226 WeakPolarHBondContact O-CB 3.21Å; W222-A226 PolarHBondContact O-N 2.94Å; F223-A226 PolarHBondContact O-N 3.32Å; A226-L230 WeakPolarHBondContact O-CB 3.47Å; A226-L230 PolarHBondContact O-N 3.35Å; A226-I265 HydrophobicContact CB-CD1 4.31Å; A226-I265 HydrophobicContact CB-CG2 4.45Å
227	Y	97.8	Very high	95	Very high	67 Å²	67	45.5 Å²	45.5	26%	0.263	21%	0.209	S	C	.	.	H	α-helix	trans	-60.2	-53.3	174.9	-173.2	-90.4	0	0	0	110.3	F223 R224 V225 R229 L230 F231 V262 I265 L266	F223-Y227 WeakPolarHBondContact O-CB 3.32Å; F223-Y227 PolarHBondContact O-N 2.73Å; R224-Y227 WeakPolarHBondContact O-CB 3.42Å; R224-Y227 PolarHBondContact O-N 3.07Å; V225-Y227 VanDerWaalsContact C-N 3.33Å; V225-Y227 PolarHBondContact O-N 3.08Å; Y227-R229 PolarHBondContact O-N 3.4Å; Y227-L230 WeakPolarHBondContact O-CB 3.09Å; Y227-L230 PolarHBondContact O-N 3.36Å; Y227-F231 AromaticContact CD1-CD2 3.94Å; Y227-F231 HydrophobicContact CD1-CD2 3.94Å; Y227-F231 AromaticContact CD1-CE2 3.71Å; Y227-F231 HydrophobicContact CD1-CE2 3.71Å; Y227-F231 HydrophobicContact CD2-CE2 4.11Å; Y227-F231 AromaticContact CE1-CD2 3.75Å; Y227-F231 HydrophobicContact CE1-CD2 3.75Å; Y227-F231 AromaticContact CE1-CE2 3.23Å; Y227-F231 HydrophobicContact CE1-CE2 3.23Å; Y227-F231 HydrophobicContact CE1-CZ 4.11Å; Y227-F231 AromaticContact CE2-CE2 3.7Å; Y227-F231 HydrophobicContact CE2-CE2 3.7Å; Y227-F231 HydrophobicContact CE2-CZ 4.28Å; Y227-F231 HydrophobicContact CG-CE2 4.11Å; Y227-F231 AromaticContact CZ-CE2 3.22Å; Y227-F231 AromaticContact CZ-CZ 3.75Å; Y227-F231 WeakPolarHBondContact O-CD2 3.43Å; Y227-F231 PolarHBondContact O-N 2.92Å; Y227-V262 HydrophobicContact CE2-CG1 3.86Å; Y227-I265 HydrophobicContact CD2-CG2 4.35Å; Y227-L266 HydrophobicContact CD2-CD2 4.03Å; Y227-L266 HydrophobicContact CD2-CG 4.44Å; Y227-L266 HydrophobicContact CE2-CD2 3.75Å; Y227-L266 HydrophobicContact CE2-CG 4.15Å
228	D	97.4	Very high	94.6	Very high	50 Å²	50	49.2 Å²	49.2	27%	0.267	22%	0.218	S	C	.	.	H	α-helix	trans	-61.8	-44.5	-179.3	-64.4	-18.4	0	0	0	112	R182 R224 V225 L230 F231 D232	R182-D228 IonicContact CZ-OD2 2.62Å; R182-D228 IonicContact NH1-OD2 2.72Å; R182-D228 PolarHBondContact NH1-OD2 2.86Å; R182-D228 IonicContact NH2-OD2 3.41Å; R182-D228 PolarHBondContact NH2-OD2 3.42Å; R224-D228 PolarHBondContact O-N 3.36Å; V225-D228 PolarHBondContact O-N 2.85Å; D228-L230 PolarHBondContact O-N 2.92Å; D228-F231 PolarHBondContact O-N 2.88Å; D228-F231 VanDerWaalsContact O-N 3.09Å; D228-D232 PolarHBondContact O-N 3.5Å
229	R	95.7	Very high	94	Very high	11 Å²	11	53 Å²	53	4%	0.042	24%	0.236	C	C	.	.	H	α-helix	trans	-60.7	-33.6	177.2	-75.5	-68.8	-72.7	135.6	-8.6	112.7	Y186 L198 A200 V225 Y227 F231 D232 E233 E236	Y186-R229 HydrophobicContact CE2-CG 3.87Å; Y186-R229 WeakPolarHBondContact OH-CD 3.08Å; L198-R229 VanDerWaalsContact O-CZ 3.26Å; L198-R229 PolarHBondContact O-NE 3.39Å; L198-R229 PolarHBondContact O-NH2 3.06Å; A200-R229 HydrophobicContact CB-CB 4.1Å; V225-R229 HydrophobicContact CG1-CG 4.27Å; V225-R229 WeakPolarHBondContact O-CB 3.34Å; V225-R229 VanDerWaalsContact O-CG 3.31Å; V225-R229 WeakPolarHBondContact O-CG 3.37Å; V225-R229 PolarHBondContact O-N 3.07Å; Y227-R229 PolarHBondContact O-N 3.4Å; R229-F231 VanDerWaalsContact C-N 3.33Å; R229-F231 PolarHBondContact O-N 2.84Å; R229-D232 PolarHBondContact O-N 3.14Å; R229-E233 IonicContact NH2-OE1 3.95Å; R229-E233 WeakPolarHBondContact O-CB 3.49Å; R229-E233 VanDerWaalsContact O-CG 3.3Å; R229-E233 WeakPolarHBondContact O-CG 3.14Å; R229-E233 PolarHBondContact O-N 3.34Å; R229-E236 IonicContact NH1-OE1 3.44Å
230	L	95.8	Very high	93.1	Very high	4 Å²	4	55.3 Å²	55.3	2%	0.021	25%	0.25	C	C	.	.	H	α-helix	trans	-63	-41	176.2	-177.2	62.8	0	0	0	111.2	A200 A226 Y227 D228 L234 E259 P260 V262 I265	A200-L230 HydrophobicContact CB-CB 3.89Å; A200-L230 HydrophobicContact CB-CD1 4.23Å; A226-L230 WeakPolarHBondContact O-CB 3.47Å; A226-L230 PolarHBondContact O-N 3.35Å; Y227-L230 WeakPolarHBondContact O-CB 3.09Å; Y227-L230 PolarHBondContact O-N 3.36Å; D228-L230 PolarHBondContact O-N 2.92Å; L230-L234 VanDerWaalsContact O-CG 3.25Å; L230-L234 WeakPolarHBondContact O-CG 3.16Å; L230-L234 PolarHBondContact O-N 2.99Å; L230-L234 VanDerWaalsContact O-N 3.17Å; L230-E259 HydrophobicContact CD1-CG 3.75Å; L230-E259 WeakPolarHBondContact CD1-OE1 3.35Å; L230-P260 HydrophobicContact CD1-CG 4.33Å; L230-V262 HydrophobicContact CD2-CG2 3.81Å; L230-I265 HydrophobicContact CB-CD1 4.35Å; L230-I265 HydrophobicContact CD2-CD1 3.85Å
231	F	94.6	Very high	92.1	Very high	85 Å²	85	60.6 Å²	60.6	37%	0.373	28%	0.279	S	S	.	.	H	α-helix	trans	-71.7	-39.5	176.9	-71.2	-81.3	0	0	0	112.3	Y227 D228 R229 E233 L234 E235 V262	Y227-F231 AromaticContact CD1-CD2 3.94Å; Y227-F231 HydrophobicContact CD1-CD2 3.94Å; Y227-F231 AromaticContact CD1-CE2 3.71Å; Y227-F231 HydrophobicContact CD1-CE2 3.71Å; Y227-F231 HydrophobicContact CD2-CE2 4.11Å; Y227-F231 AromaticContact CE1-CD2 3.75Å; Y227-F231 HydrophobicContact CE1-CD2 3.75Å; Y227-F231 AromaticContact CE1-CE2 3.23Å; Y227-F231 HydrophobicContact CE1-CE2 3.23Å; Y227-F231 HydrophobicContact CE1-CZ 4.11Å; Y227-F231 AromaticContact CE2-CE2 3.7Å; Y227-F231 HydrophobicContact CE2-CE2 3.7Å; Y227-F231 HydrophobicContact CE2-CZ 4.28Å; Y227-F231 HydrophobicContact CG-CE2 4.11Å; Y227-F231 AromaticContact CZ-CE2 3.22Å; Y227-F231 AromaticContact CZ-CZ 3.75Å; Y227-F231 WeakPolarHBondContact O-CD2 3.43Å; Y227-F231 PolarHBondContact O-N 2.92Å; D228-F231 PolarHBondContact O-N 2.88Å; D228-F231 VanDerWaalsContact O-N 3.09Å; R229-F231 VanDerWaalsContact C-N 3.33Å; R229-F231 PolarHBondContact O-N 2.84Å; F231-E233 VanDerWaalsContact C-N 3.35Å; F231-E233 PolarHBondContact O-N 2.91Å; F231-L234 PolarHBondContact O-N 2.85Å; F231-E235 PolarHBondContact O-N 2.95Å; F231-V262 HydrophobicContact CZ-CG2 4.21Å
232	D	94.1	Very high	91.2	Very high	50 Å²	50	61.6 Å²	61.6	27%	0.267	30%	0.298	S	S	.	.	H	α-helix	trans	-59.3	-46.1	175.1	-64	-17.6	0	0	0	110.9	Y186 D228 R229 L234 E235 E236	Y186-D232 WeakPolarHBondContact CE1-OD2 3.24Å; Y186-D232 PolarHBondContact OH-OD2 2.76Å; D228-D232 PolarHBondContact O-N 3.5Å; R229-D232 PolarHBondContact O-N 3.14Å; D232-L234 VanDerWaalsContact C-N 3.31Å; D232-L234 PolarHBondContact O-N 2.93Å; D232-E235 PolarHBondContact O-N 3.29Å; D232-E235 VanDerWaalsContact O-N 3.15Å; D232-E236 WeakPolarHBondContact O-CG 3.39Å; D232-E236 PolarHBondContact O-N 3.23Å
233	E	91.6	Very high	89.9	Confident	29 Å²	29	67.5 Å²	67.5	14%	0.136	33%	0.326	C	S	.	.	H	α-helix	trans	-63	-35.8	177.5	-75.2	174.5	-172.4	0	0	112.7	S199 A200 R229 F231 K237	S199-E233 VanDerWaalsContact C-OE1 3.32Å; S199-E233 WeakPolarHBondContact CA-OE1 3.44Å; S199-E233 WeakPolarHBondContact CB-OE1 3.47Å; A200-E233 PolarHBondContact N-OE1 3.05Å; R229-E233 IonicContact NH2-OE1 3.95Å; R229-E233 WeakPolarHBondContact O-CB 3.49Å; R229-E233 VanDerWaalsContact O-CG 3.3Å; R229-E233 WeakPolarHBondContact O-CG 3.14Å; R229-E233 PolarHBondContact O-N 3.34Å; F231-E233 VanDerWaalsContact C-N 3.35Å; F231-E233 PolarHBondContact O-N 2.91Å; E233-K237 WeakPolarHBondContact O-CB 3.27Å; E233-K237 VanDerWaalsContact O-CG 3.24Å; E233-K237 WeakPolarHBondContact O-CG 3.37Å; E233-K237 PolarHBondContact O-N 2.8Å
234	L	88.8	Confident	88.3	Confident	59 Å²	59	70.2 Å²	70.2	31%	0.309	35%	0.354	S	S	.	.	H	α-helix	trans	-69.5	-34.4	175.1	-71.7	170.8	0	0	0	112.1	L230 F231 D232 R238	L230-L234 VanDerWaalsContact O-CG 3.25Å; L230-L234 WeakPolarHBondContact O-CG 3.16Å; L230-L234 PolarHBondContact O-N 2.99Å; L230-L234 VanDerWaalsContact O-N 3.17Å; F231-L234 PolarHBondContact O-N 2.85Å; D232-L234 VanDerWaalsContact C-N 3.31Å; D232-L234 PolarHBondContact O-N 2.93Å; L234-R238 VanDerWaalsContact O-CG 3.26Å; L234-R238 WeakPolarHBondContact O-CG 3.47Å; L234-R238 PolarHBondContact O-N 3.45Å
235	E	89.9	Confident	86.3	Confident	118 Å²	118	69.6 Å²	69.6	55%	0.551	36%	0.361	S	S	*	.	H	α-helix	trans	-70.1	-46.9	174.8	-171.5	163.6	-153.4	0	0	111	F231 D232 K237 R238 E239	F231-E235 PolarHBondContact O-N 2.95Å; D232-E235 PolarHBondContact O-N 3.29Å; D232-E235 VanDerWaalsContact O-N 3.15Å; E235-K237 VanDerWaalsContact C-N 3.33Å; E235-K237 PolarHBondContact O-N 3.3Å; E235-R238 WeakPolarHBondContact O-CB 3.42Å; E235-R238 PolarHBondContact O-N 3.03Å; E235-R238 VanDerWaalsContact O-N 3.07Å; E235-E239 WeakPolarHBondContact O-CG 3.32Å; E235-E239 PolarHBondContact O-N 2.89Å
236	E	87.7	Confident	84.1	Confident	95 Å²	95	76 Å²	76	44%	0.444	40%	0.4	S	S	.	.	H	α-helix	trans	-55	-45.8	174.7	-72	170.8	-171.2	0	0	111.6	R229 D232 R238 E239 V240	R229-E236 IonicContact NH1-OE1 3.44Å; D232-E236 WeakPolarHBondContact O-CG 3.39Å; D232-E236 PolarHBondContact O-N 3.23Å; E236-R238 PolarHBondContact O-N 3.34Å; E236-E239 PolarHBondContact O-N 2.92Å; E236-V240 WeakPolarHBondContact O-CG2 3.47Å; E236-V240 PolarHBondContact O-N 3.04Å
237	K	85	Confident	81.9	Confident	78 Å²	78	79.7 Å²	79.7	34%	0.339	42%	0.419	S	S	.	.	H	α-helix	trans	-60.1	-43.8	175.5	-74.3	168	-173.2	164.7	0	112.2	E233 E235 E239 V240 D241 E259	E233-K237 WeakPolarHBondContact O-CB 3.27Å; E233-K237 VanDerWaalsContact O-CG 3.24Å; E233-K237 WeakPolarHBondContact O-CG 3.37Å; E233-K237 PolarHBondContact O-N 2.8Å; E235-K237 VanDerWaalsContact C-N 3.33Å; E235-K237 PolarHBondContact O-N 3.3Å; K237-E239 VanDerWaalsContact C-N 3.33Å; K237-E239 PolarHBondContact O-N 2.91Å; K237-V240 PolarHBondContact O-N 2.83Å; K237-D241 WeakPolarHBondContact O-CB 3.46Å; K237-D241 PolarHBondContact O-N 2.97Å; K237-E259 VanDerWaalsContact NZ-CD 3.27Å; K237-E259 IonicContact NZ-OE1 3.71Å; K237-E259 PolarHBondContact NZ-OE1 3.02Å; K237-E259 IonicContact NZ-OE2 3.3Å; K237-E259 PolarHBondContact NZ-OE2 3.19Å
238	R	86.1	Confident	79.3	Confident	183 Å²	183	79.7 Å²	79.7	69%	0.691	43%	0.433	S	S	*	.	H	α-helix	trans	-65.1	-37	178.6	-74	171.7	-173.4	-162	4.4	112.2	L234 E235 E236 A242	L234-R238 VanDerWaalsContact O-CG 3.26Å; L234-R238 WeakPolarHBondContact O-CG 3.47Å; L234-R238 PolarHBondContact O-N 3.45Å; E235-R238 WeakPolarHBondContact O-CB 3.42Å; E235-R238 PolarHBondContact O-N 3.03Å; E235-R238 VanDerWaalsContact O-N 3.07Å; E236-R238 PolarHBondContact O-N 3.34Å; R238-A242 VanDerWaalsContact O-CB 3.28Å; R238-A242 WeakPolarHBondContact O-CB 3.26Å; R238-A242 PolarHBondContact O-N 3.21Å
239	E	82.7	Confident	76.8	Confident	103 Å²	103	84.2 Å²	84.2	48%	0.481	46%	0.457	S	S	.	.	H	α-helix	trans	-64.5	-48.6	175.3	-71.6	-170.9	168.8	0	0	110.9	E235 E236 K237 D241 A242 Q243	E235-E239 WeakPolarHBondContact O-CG 3.32Å; E235-E239 PolarHBondContact O-N 2.89Å; E236-E239 PolarHBondContact O-N 2.92Å; K237-E239 VanDerWaalsContact C-N 3.33Å; K237-E239 PolarHBondContact O-N 2.91Å; E239-D241 VanDerWaalsContact C-N 3.34Å; E239-D241 PolarHBondContact O-N 2.7Å; E239-A242 WeakPolarHBondContact O-CB 3.44Å; E239-A242 PolarHBondContact O-N 2.63Å; E239-A242 VanDerWaalsContact O-N 3.11Å; E239-Q243 VanDerWaalsContact C-CD 3.48Å; E239-Q243 VanDerWaalsContact C-OE1 3.22Å; E239-Q243 WeakPolarHBondContact O-CG 3.33Å; E239-Q243 PolarHBondContact O-N 3.48Å; E239-Q243 PolarHBondContact O-NE2 2.84Å; E239-Q243 PolarHBondContact O-OE1 2.91Å
240	V	79.3	Confident	74.2	Confident	49 Å²	49	88.9 Å²	88.9	30%	0.297	48%	0.483	S	S	.	.	H	α-helix	trans	-59.3	-44	178.2	174.4	0	0	0	0	111.6	E236 K237 A242 Q243 G244 I247	E236-V240 WeakPolarHBondContact O-CG2 3.47Å; E236-V240 PolarHBondContact O-N 3.04Å; K237-V240 PolarHBondContact O-N 2.83Å; V240-A242 VanDerWaalsContact C-N 3.35Å; V240-A242 PolarHBondContact O-N 3.01Å; V240-Q243 PolarHBondContact O-N 2.9Å; V240-G244 PolarHBondContact O-N 3.45Å; V240-I247 HydrophobicContact CG1-CD1 3.9Å; V240-I247 HydrophobicContact CG1-CG1 4.38Å
241	D	77.8	Confident	71.8	Confident	127 Å²	127	94.3 Å²	94.3	68%	0.679	51%	0.508	S	S	*	.	H	α-helix	trans	-61.9	-41.7	175.3	-77	-19.7	0	0	0	111.6	K237 E239 Q243 G244	K237-D241 WeakPolarHBondContact O-CB 3.46Å; K237-D241 PolarHBondContact O-N 2.97Å; E239-D241 VanDerWaalsContact C-N 3.34Å; E239-D241 PolarHBondContact O-N 2.7Å; D241-Q243 VanDerWaalsContact C-N 3.29Å; D241-Q243 PolarHBondContact O-N 3.45Å; D241-G244 PolarHBondContact O-N 3.01Å
242	A	77.9	Confident	69.4	Low	88 Å²	88	95.4 Å²	95.4	73%	0.727	52%	0.522	S	S	*	.	H	α-helix	trans	-67.5	-29	177.6	0	0	0	0	0	112.8	R238 E239 V240 G244	R238-A242 VanDerWaalsContact O-CB 3.28Å; R238-A242 WeakPolarHBondContact O-CB 3.26Å; R238-A242 PolarHBondContact O-N 3.21Å; E239-A242 WeakPolarHBondContact O-CB 3.44Å; E239-A242 PolarHBondContact O-N 2.63Å; E239-A242 VanDerWaalsContact O-N 3.11Å; V240-A242 VanDerWaalsContact C-N 3.35Å; V240-A242 PolarHBondContact O-N 3.01Å; A242-G244 PolarHBondContact O-N 2.91Å
243	Q	72.1	Confident	67.2	Low	124 Å²	124	100.4 Å²	100.4	58%	0.579	54%	0.544	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.1	-3.1	176.3	-70.1	131.8	15.4	0	0	113.2	E239 V240 D241 T245	E239-Q243 VanDerWaalsContact C-CD 3.48Å; E239-Q243 VanDerWaalsContact C-OE1 3.22Å; E239-Q243 WeakPolarHBondContact O-CG 3.33Å; E239-Q243 PolarHBondContact O-N 3.48Å; E239-Q243 PolarHBondContact O-NE2 2.84Å; E239-Q243 PolarHBondContact O-OE1 2.91Å; V240-Q243 PolarHBondContact O-N 2.9Å; D241-Q243 VanDerWaalsContact C-N 3.29Å; D241-Q243 PolarHBondContact O-N 3.45Å; Q243-T245 PolarHBondContact O-N 2.97Å
244	G	64.3	Low	65.2	Low	58 Å²	58	104.9 Å²	104.9	60%	0.598	57%	0.565	S	S	*	*	T	Hydrogen-bonded Turn	trans	68.3	16.6	174.6	0	0	0	0	0	113.7	V240 D241 A242 T246	V240-G244 PolarHBondContact O-N 3.45Å; D241-G244 PolarHBondContact O-N 3.01Å; A242-G244 PolarHBondContact O-N 2.91Å; G244-T246 PolarHBondContact O-N 3.39Å; G244-T246 VanDerWaalsContact O-N 3.13Å
245	T	57	Low	63.4	Low	78 Å²	78	107.3 Å²	107.3	48%	0.479	58%	0.578	S	S	.	*			trans	-76.7	102.3	176.4	-29.4	0	0	0	0	107.2	Q243 I247	Q243-T245 PolarHBondContact O-N 2.97Å; T245-I247 HydrophobicContact CG2-CG1 4.09Å; T245-I247 PolarHBondContact O-N 3.45Å
246	T	52.6	Low	62	Low	140 Å²	140	104.8 Å²	104.8	86%	0.859	58%	0.584	S	S	*	*			trans	-70.9	72	168.7	35.2	0	0	0	0	108.5	G244 A248	G244-T246 PolarHBondContact O-N 3.39Å; G244-T246 VanDerWaalsContact O-N 3.13Å; T246-A248 PolarHBondContact O-N 2.9Å
247	I	50.6	Low	61.3	Low	78 Å²	78	102.9 Å²	102.9	40%	0.4	58%	0.575	S	S	.	*			trans	-64.7	117.5	160.8	-55.9	-178.5	0	0	0	104	V240 T245 N249 E251	V240-I247 HydrophobicContact CG1-CD1 3.9Å; V240-I247 HydrophobicContact CG1-CG1 4.38Å; T245-I247 HydrophobicContact CG2-CG1 4.09Å; T245-I247 PolarHBondContact O-N 3.45Å; I247-N249 PolarHBondContact O-N 3.5Å; I247-N249 VanDerWaalsContact O-N 3.1Å; I247-E251 HydrophobicContact CG2-CB 4.48Å; I247-E251 HydrophobicContact CG2-CG 4.41Å; I247-E251 WeakPolarHBondContact CG2-OE2 3.17Å
248	A	44.8	Very low	61.2	Low	67 Å²	67	105.1 Å²	105.1	55%	0.554	60%	0.595	S	S	*	*			trans	-51.6	124.5	178.1	0	0	0	0	0	107.7	T246 D250 E251	T246-A248 PolarHBondContact O-N 2.9Å; A248-D250 PolarHBondContact O-N 2.88Å; A248-E251 PolarHBondContact O-N 3.02Å
249	N	44.5	Very low	61.2	Low	145 Å²	145	100.4 Å²	100.4	78%	0.775	58%	0.581	S	S	*	*	T	Hydrogen-bonded Turn	trans	-53.9	2.7	176.4	-68.1	-15.8	0	0	0	114.5	I247 E251 T252	I247-N249 PolarHBondContact O-N 3.5Å; I247-N249 VanDerWaalsContact O-N 3.1Å; N249-E251 VanDerWaalsContact C-N 3.34Å; N249-T252 PolarHBondContact O-OG1 3.4Å
250	D	41.8	Very low	61.7	Low	108 Å²	108	95.8 Å²	95.8	58%	0.578	56%	0.56	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.8	-19.7	176	-133.6	10	0	0	0	111.8	A248	A248-D250 PolarHBondContact O-N 2.88Å
251	E	44.4	Very low	62.4	Low	119 Å²	119	96.5 Å²	96.5	56%	0.556	57%	0.565	S	S	*	*	S	Bend	trans	-79.9	-32.9	-179.6	-69.8	-175.5	-172.3	0	0	113.5	I247 A248 N249 E253 E254	I247-E251 HydrophobicContact CG2-CB 4.48Å; I247-E251 HydrophobicContact CG2-CG 4.41Å; I247-E251 WeakPolarHBondContact CG2-OE2 3.17Å; A248-E251 PolarHBondContact O-N 3.02Å; N249-E251 VanDerWaalsContact C-N 3.34Å; E251-E253 VanDerWaalsContact C-N 3.32Å; E251-E253 PolarHBondContact O-N 3.38Å; E251-E254 WeakPolarHBondContact O-CB 3.38Å; E251-E254 PolarHBondContact O-N 3.02Å; E251-E254 VanDerWaalsContact O-N 3.07Å
252	T	45.2	Very low	63.3	Low	107 Å²	107	91.9 Å²	91.9	66%	0.656	54%	0.541	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.1	-24.2	-177.6	36.3	0	0	0	0	113.5	N249 E254	N249-T252 PolarHBondContact O-OG1 3.4Å; T252-E254 VanDerWaalsContact C-N 3.35Å
253	E	46.6	Very low	64.1	Low	156 Å²	156	87.9 Å²	87.9	73%	0.729	51%	0.508	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.2	-8.6	170.1	-81.3	-169.3	174.1	0	0	113.5	E251 N255 G256	E251-E253 VanDerWaalsContact C-N 3.32Å; E251-E253 PolarHBondContact O-N 3.38Å; E253-N255 VanDerWaalsContact C-N 3.26Å; E253-N255 PolarHBondContact O-N 3.43Å; E253-N255 VanDerWaalsContact O-N 3.14Å; E253-G256 PolarHBondContact O-N 3.5Å; E253-G256 VanDerWaalsContact O-N 3.1Å
254	E	49.6	Very low	65.2	Low	123 Å²	123	86.3 Å²	86.3	58%	0.575	50%	0.501	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.9	-30.8	-170.3	-85.7	-166.1	148.1	0	0	113.9	E251 T252	E251-E254 WeakPolarHBondContact O-CB 3.38Å; E251-E254 PolarHBondContact O-N 3.02Å; E251-E254 VanDerWaalsContact O-N 3.07Å; T252-E254 VanDerWaalsContact C-N 3.35Å
255	N	52.4	Low	66.8	Low	109 Å²	109	83.6 Å²	83.6	58%	0.583	47%	0.472	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.6	-10.5	-177.8	-66.3	-28	0	0	0	113.6	E253 E257	E253-N255 VanDerWaalsContact C-N 3.26Å; E253-N255 PolarHBondContact O-N 3.43Å; E253-N255 VanDerWaalsContact O-N 3.14Å; N255-E257 HydrophobicContact CB-CB 4.49Å; N255-E257 HydrophobicContact CB-CG 4.14Å; N255-E257 PolarHBondContact O-N 3.44Å; N255-E257 VanDerWaalsContact O-N 3.14Å
256	G	60.2	Low	68.7	Low	66 Å²	66	80.1 Å²	80.1	68%	0.68	45%	0.451	S	S	*	.			trans	60.9	16.7	-175	0	0	0	0	0	114	E253	E253-G256 PolarHBondContact O-N 3.5Å; E253-G256 VanDerWaalsContact O-N 3.1Å
257	E	72.9	Confident	70.8	Confident	54 Å²	54	74.4 Å²	74.4	25%	0.252	42%	0.415	S	S	.	.	P	Polyproline II helix	trans	-90	124.5	178.9	-67.7	-178.2	179.8	0	0	109.5	K100 S199 A201 Q202 N255	K100-E257 WeakPolarHBondContact CE-OE1 3.37Å; S199-E257 PolarHBondContact OG-OE2 2.93Å; S199-E257 VanDerWaalsContact OG-OE2 3.07Å; A201-E257 HydrophobicContact CB-CB 4.37Å; Q202-E257 WeakPolarHBondContact CG-OE1 3.12Å; Q202-E257 WeakPolarHBondContact CG-OE2 3.33Å; Q202-E257 PolarHBondContact NE2-OE1 3.36Å; Q202-E257 PolarHBondContact NE2-OE2 2.84Å; N255-E257 HydrophobicContact CB-CB 4.49Å; N255-E257 HydrophobicContact CB-CG 4.14Å; N255-E257 PolarHBondContact O-N 3.44Å; N255-E257 VanDerWaalsContact O-N 3.14Å
258	T	81.4	Confident	73	Confident	125 Å²	125	73.8 Å²	73.8	77%	0.767	41%	0.408	S	S	*	.	P	Polyproline II helix	trans	-81.6	125.4	174.2	-48.6	0	0	0	0	109.4
259	E	88	Confident	75.6	Confident	84 Å²	84	71 Å²	71	39%	0.393	38%	0.384	S	S	.	.	P	Polyproline II helix	trans	-56.7	129.2	174.3	-172.7	170.5	172.2	0	0	110.2	L230 K237	L230-E259 HydrophobicContact CD1-CG 3.75Å; L230-E259 WeakPolarHBondContact CD1-OE1 3.35Å; K237-E259 VanDerWaalsContact NZ-CD 3.27Å; K237-E259 IonicContact NZ-OE1 3.71Å; K237-E259 PolarHBondContact NZ-OE1 3.02Å; K237-E259 IonicContact NZ-OE2 3.3Å; K237-E259 PolarHBondContact NZ-OE2 3.19Å
260	P	92.9	Very high	78.1	Confident	7 Å²	7	64.1 Å²	64.1	5%	0.045	35%	0.347	C	S	.	.	P	Polyproline II helix	trans	-72.9	148.9	-178.5	31	-35.7	0	0	0	111.2	A200 L204 L230 I265	A200-P260 HydrophobicContact CB-CG 4.03Å; L204-P260 HydrophobicContact CD2-CB 3.44Å; L204-P260 VanDerWaalsContact CD2-CB 3.44Å; L204-P260 HydrophobicContact CD2-CG 4.35Å; L230-P260 HydrophobicContact CD1-CG 4.33Å; P260-I265 HydrophobicContact CB-CD1 4.26Å; P260-I265 HydrophobicContact CB-CG1 4.29Å; P260-I265 HydrophobicContact CG-CD1 4.1Å
261	T	94.3	Very high	80.7	Confident	64 Å²	64	62 Å²	62	39%	0.393	33%	0.332	S	S	.	.	P	Polyproline II helix	trans	-82	152.3	171.7	72.7	0	0	0	0	110.9	G263 Q264 I265	T261-G263 PolarHBondContact O-N 3.28Å; T261-Q264 VanDerWaalsContact N-OE1 3.11Å; T261-Q264 WeakPolarHBondContact O-CB 3.44Å; T261-Q264 PolarHBondContact O-N 3.35Å; T261-Q264 WeakPolarHBondContact OG1-CB 3.39Å; T261-Q264 VanDerWaalsContact OG1-CG 3.24Å; T261-Q264 WeakPolarHBondContact OG1-CG 3.37Å; T261-Q264 PolarHBondContact OG1-N 2.98Å; T261-Q264 VanDerWaalsContact OG1-N 3.08Å; T261-I265 PolarHBondContact O-N 2.91Å
262	V	95.2	Very high	83.2	Confident	29 Å²	29	56.3 Å²	56.3	18%	0.176	31%	0.305	C	S	.	.	H	α-helix	trans	-54.3	-45.6	171.9	174.1	0	0	0	0	110.5	Y227 L230 F231 Q264 I265 L266 E292	Y227-V262 HydrophobicContact CE2-CG1 3.86Å; L230-V262 HydrophobicContact CD2-CG2 3.81Å; F231-V262 HydrophobicContact CZ-CG2 4.21Å; V262-Q264 PolarHBondContact O-N 3.33Å; V262-I265 PolarHBondContact O-N 3.33Å; V262-L266 HydrophobicContact CG1-CD1 3.67Å; V262-L266 HydrophobicContact CG1-CG 4.1Å; V262-L266 WeakPolarHBondContact O-CG 2.99Å; V262-L266 PolarHBondContact O-N 3.15Å; V262-E292 HydrophobicContact CG1-CG 4.07Å
263	G	95.3	Very high	85.6	Confident	4 Å²	4	51.2 Å²	51.2	4%	0.041	27%	0.274	C	S	.	.	H	α-helix	trans	-56.9	-44.8	177.1	0	0	0	0	0	113.2	T261 I265 L266 D267 L289	T261-G263 PolarHBondContact O-N 3.28Å; G263-I265 PolarHBondContact O-N 3.16Å; G263-L266 PolarHBondContact O-N 3.28Å; G263-D267 WeakPolarHBondContact O-CB 3.46Å; G263-D267 PolarHBondContact O-N 2.94Å; G263-L289 WeakPolarHBondContact O-CD1 3.44Å
264	Q	95.2	Very high	87.8	Confident	92 Å²	92	44.1 Å²	44.1	43%	0.43	24%	0.243	S	C	.	.	H	α-helix	trans	-57.9	-45.8	175.9	-77.5	170.9	-14.4	0	0	112.3	T261 V262 Y268	T261-Q264 VanDerWaalsContact N-OE1 3.11Å; T261-Q264 WeakPolarHBondContact O-CB 3.44Å; T261-Q264 PolarHBondContact O-N 3.35Å; T261-Q264 WeakPolarHBondContact OG1-CB 3.39Å; T261-Q264 VanDerWaalsContact OG1-CG 3.24Å; T261-Q264 WeakPolarHBondContact OG1-CG 3.37Å; T261-Q264 PolarHBondContact OG1-N 2.98Å; T261-Q264 VanDerWaalsContact OG1-N 3.08Å; V262-Q264 PolarHBondContact O-N 3.33Å; Q264-Y268 WeakPolarHBondContact O-CD2 3.37Å; Q264-Y268 PolarHBondContact O-N 3.03Å
265	I	97.8	Very high	89.9	Confident	0 Å²	0	45 Å²	45	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-67	-47.9	-178.6	-60.3	170.4	0	0	0	110.6	L204 F223 A226 Y227 L230 P260 T261 V262 G263 D267 Y268 L269	L204-I265 HydrophobicContact CD1-CG1 4.22Å; L204-I265 HydrophobicContact CD2-CG1 4.47Å; F223-I265 HydrophobicContact CB-CG2 4.29Å; F223-I265 VanDerWaalsContact O-CG2 3.24Å; F223-I265 WeakPolarHBondContact O-CG2 3.4Å; A226-I265 HydrophobicContact CB-CD1 4.31Å; A226-I265 HydrophobicContact CB-CG2 4.45Å; Y227-I265 HydrophobicContact CD2-CG2 4.35Å; L230-I265 HydrophobicContact CB-CD1 4.35Å; L230-I265 HydrophobicContact CD2-CD1 3.85Å; P260-I265 HydrophobicContact CB-CD1 4.26Å; P260-I265 HydrophobicContact CB-CG1 4.29Å; P260-I265 HydrophobicContact CG-CD1 4.1Å; T261-I265 PolarHBondContact O-N 2.91Å; V262-I265 PolarHBondContact O-N 3.33Å; G263-I265 PolarHBondContact O-N 3.16Å; I265-D267 VanDerWaalsContact C-N 3.28Å; I265-D267 PolarHBondContact O-N 3.44Å; I265-Y268 PolarHBondContact O-N 3.15Å; I265-L269 WeakPolarHBondContact O-CB 3.34Å; I265-L269 PolarHBondContact O-N 2.87Å
266	L	98.1	Very high	91.7	Very high	5 Å²	5	41.3 Å²	41.3	3%	0.026	22%	0.22	C	C	.	.	H	α-helix	trans	-61.6	-36.9	179.8	-68.1	176.8	0	0	0	112	Y227 V262 G263 L269 A270 V285 L288 L289 E292	Y227-L266 HydrophobicContact CD2-CD2 4.03Å; Y227-L266 HydrophobicContact CD2-CG 4.44Å; Y227-L266 HydrophobicContact CE2-CD2 3.75Å; Y227-L266 HydrophobicContact CE2-CG 4.15Å; V262-L266 HydrophobicContact CG1-CD1 3.67Å; V262-L266 HydrophobicContact CG1-CG 4.1Å; V262-L266 WeakPolarHBondContact O-CG 2.99Å; V262-L266 PolarHBondContact O-N 3.15Å; G263-L266 PolarHBondContact O-N 3.28Å; L266-L269 PolarHBondContact O-N 3.35Å; L266-A270 VanDerWaalsContact O-CB 3.23Å; L266-A270 WeakPolarHBondContact O-CB 3.04Å; L266-A270 PolarHBondContact O-N 2.98Å; L266-V285 HydrophobicContact CB-CG1 4.23Å; L266-V285 HydrophobicContact CD2-CG1 3.84Å; L266-V285 WeakPolarHBondContact O-CG1 3.38Å; L266-L288 HydrophobicContact CD1-CB 4.03Å; L266-L289 HydrophobicContact CB-CB 4.04Å; L266-L289 HydrophobicContact CB-CD1 4.23Å; L266-L289 HydrophobicContact CD1-CB 4.41Å; L266-E292 HydrophobicContact CD1-CG 4.37Å
267	D	96	Very high	93.2	Very high	20 Å²	20	38.4 Å²	38.4	11%	0.107	19%	0.19	C	C	.	.	H	α-helix	trans	-69.4	-35.9	-178.3	-163.3	13.6	0	0	0	113.2	G263 I265 Y271 L289 R298	G263-D267 WeakPolarHBondContact O-CB 3.46Å; G263-D267 PolarHBondContact O-N 2.94Å; I265-D267 VanDerWaalsContact C-N 3.28Å; I265-D267 PolarHBondContact O-N 3.44Å; D267-Y271 PolarHBondContact O-N 2.95Å; D267-L289 HydrophobicContact CB-CD1 4.25Å; D267-L289 HydrophobicContact CB-CD2 3.6Å; D267-R298 PolarHBondContact O-NH1 3.14Å; D267-R298 IonicContact OD1-CZ 2.85Å; D267-R298 IonicContact OD1-NE 2.96Å; D267-R298 PolarHBondContact OD1-NE 3.02Å; D267-R298 IonicContact OD1-NH1 3.28Å; D267-R298 PolarHBondContact OD1-NH1 2.92Å; D267-R298 IonicContact OD1-NH2 3.86Å; D267-R298 PolarHBondContact OD1-NH2 3.1Å; D267-R298 IonicContact OD2-CZ 3.23Å; D267-R298 IonicContact OD2-NE 2.97Å; D267-R298 PolarHBondContact OD2-NE 3.33Å; D267-R298 IonicContact OD2-NH1 3.18Å; D267-R298 IonicContact OD2-NH2 3.85Å; D267-R298 PolarHBondContact OD2-NH2 2.59Å
268	Y	97.5	Very high	94.2	Very high	65 Å²	65	37.8 Å²	37.8	26%	0.255	19%	0.186	S	C	.	.	H	α-helix	trans	-72.9	-44.2	169.8	-80.5	-66	0	0	0	112.1	L204 R208 Y211 F223 Q264 I265 A270 Y271 S272	L204-Y268 HydrophobicContact CD1-CD2 4.14Å; R208-Y268 HydrophobicContact CG-CD2 4.31Å; R208-Y268 HydrophobicContact CG-CE1 4.21Å; R208-Y268 HydrophobicContact CG-CE2 3.94Å; Y211-Y268 HydrophobicContact CD1-CD1 4.45Å; Y211-Y268 HydrophobicContact CD1-CE1 4.26Å; Y211-Y268 AromaticContact CD2-CD1 3.93Å; Y211-Y268 HydrophobicContact CD2-CD1 3.93Å; Y211-Y268 HydrophobicContact CE1-CD1 4.47Å; Y211-Y268 HydrophobicContact CE1-CE1 4.2Å; Y211-Y268 AromaticContact CE2-CD1 3.88Å; Y211-Y268 HydrophobicContact CE2-CD1 3.88Å; Y211-Y268 HydrophobicContact CE2-CE1 4.4Å; Y211-Y268 HydrophobicContact CG-CD1 4.22Å; Y211-Y268 HydrophobicContact CG-CE1 4.45Å; F223-Y268 HydrophobicContact CE1-CG 4.21Å; F223-Y268 HydrophobicContact CE2-CD1 4.4Å; F223-Y268 HydrophobicContact CE2-CG 4.16Å; F223-Y268 VanDerWaalsContact CZ-CB 3.48Å; F223-Y268 HydrophobicContact CZ-CD1 4.04Å; F223-Y268 AromaticContact CZ-CG 3.8Å; F223-Y268 HydrophobicContact CZ-CG 3.8Å; Q264-Y268 WeakPolarHBondContact O-CD2 3.37Å; Q264-Y268 PolarHBondContact O-N 3.03Å; I265-Y268 PolarHBondContact O-N 3.15Å; Y268-A270 PolarHBondContact O-N 3.22Å; Y268-Y271 PolarHBondContact O-N 2.94Å; Y268-S272 PolarHBondContact O-N 2.93Å; Y268-S272 PolarHBondContact O-OG 3.11Å
269	L	98.2	Very high	94.9	Very high	8 Å²	8	32.9 Å²	32.9	4%	0.042	15%	0.153	C	C	.	.	H	α-helix	trans	-59.7	-47.4	179.5	178.3	59.3	0	0	0	112.1	E220 F223 R224 I265 L266 Y271 S272 L273 V285	E220-L269 HydrophobicContact CB-CD1 4.34Å; E220-L269 HydrophobicContact CG-CD1 3.55Å; F223-L269 HydrophobicContact CB-CB 4.01Å; F223-L269 HydrophobicContact CB-CD1 4.2Å; R224-L269 HydrophobicContact CG-CD1 3.89Å; R224-L269 HydrophobicContact CG-CD2 4.21Å; I265-L269 WeakPolarHBondContact O-CB 3.34Å; I265-L269 PolarHBondContact O-N 2.87Å; L266-L269 PolarHBondContact O-N 3.35Å; L269-Y271 VanDerWaalsContact C-N 3.3Å; L269-Y271 PolarHBondContact O-N 3.47Å; L269-S272 PolarHBondContact O-N 2.94Å; L269-L273 HydrophobicContact CD1-CD1 4.2Å; L269-L273 HydrophobicContact CD1-CG 4.43Å; L269-L273 HydrophobicContact CG-CD1 4.17Å; L269-L273 WeakPolarHBondContact O-CG 3.36Å; L269-L273 PolarHBondContact O-N 2.87Å; L269-V285 HydrophobicContact CB-CG1 4.2Å; L269-V285 HydrophobicContact CD2-CG1 4.02Å; L269-V285 HydrophobicContact CD2-CG2 4.19Å; L269-V285 HydrophobicContact CG-CG1 4.04Å; L269-V285 HydrophobicContact CG-CG2 4.38Å
270	A	97.4	Very high	95.2	Very high	1 Å²	1	30.3 Å²	30.3	1%	0.008	15%	0.146	C	C	.	.	H	α-helix	trans	-60.5	-40.2	177.8	0	0	0	0	0	111.8	L266 Y268 G274 V285 Y306	L266-A270 VanDerWaalsContact O-CB 3.23Å; L266-A270 WeakPolarHBondContact O-CB 3.04Å; L266-A270 PolarHBondContact O-N 2.98Å; Y268-A270 PolarHBondContact O-N 3.22Å; A270-G274 PolarHBondContact O-N 3.46Å; A270-V285 HydrophobicContact CB-CB 4.16Å; A270-V285 HydrophobicContact CB-CG1 3.83Å; A270-Y306 PolarHBondContact O-OH 3.29Å
271	Y	95.6	Very high	95.3	Very high	63 Å²	63	33.2 Å²	33.2	25%	0.247	16%	0.159	C	C	.	.	H	α-helix	trans	-67.4	-46.2	177.3	-172	-82.6	0	0	0	111.7	Y211 F216 D267 Y268 L269 L273 G274 R275	Y211-Y271 HydrophobicContact CD2-CD1 4.32Å; Y211-Y271 AromaticContact CE2-CD1 3.26Å; Y211-Y271 HydrophobicContact CE2-CD1 3.26Å; Y211-Y271 AromaticContact CE2-CE1 3.77Å; Y211-Y271 HydrophobicContact CE2-CE1 3.77Å; Y211-Y271 AromaticContact CE2-CG 3.97Å; Y211-Y271 HydrophobicContact CE2-CG 3.97Å; Y211-Y271 AromaticContact CZ-CD1 3.7Å; Y211-Y271 AromaticContact CZ-CE1 3.8Å; Y211-Y271 WeakPolarHBondContact OH-CD1 3.34Å; Y211-Y271 VanDerWaalsContact OH-CE1 3.27Å; Y211-Y271 WeakPolarHBondContact OH-CE1 3.45Å; F216-Y271 HydrophobicContact CE1-CD1 4.14Å; F216-Y271 AromaticContact CE1-CE1 3.9Å; F216-Y271 HydrophobicContact CE1-CE1 3.9Å; F216-Y271 HydrophobicContact CZ-CE1 4.23Å; D267-Y271 PolarHBondContact O-N 2.95Å; Y268-Y271 PolarHBondContact O-N 2.94Å; L269-Y271 VanDerWaalsContact C-N 3.3Å; L269-Y271 PolarHBondContact O-N 3.47Å; Y271-L273 VanDerWaalsContact C-N 3.34Å; Y271-L273 PolarHBondContact O-N 3.07Å; Y271-G274 PolarHBondContact O-N 3.41Å; Y271-G274 VanDerWaalsContact O-N 3.15Å; Y271-R275 HydrophobicContact CD1-CG 3.64Å; Y271-R275 HydrophobicContact CE1-CG 3.28Å; Y271-R275 WeakPolarHBondContact O-CG 3.27Å; Y271-R275 PolarHBondContact O-N 3.18Å; Y271-R275 PolarHBondContact OH-NH1 3.37Å; Y271-R275 VanDerWaalsContact OH-NH1 3.11Å
272	S	96.6	Very high	95.4	Very high	0 Å²	0	30.1 Å²	30.1	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-59.3	-44.6	178.7	-66.2	0	0	0	0	111.6	S219 Y268 L269 G274 R275 Q276	S219-S272 PolarHBondContact OG-OG 3.17Å; Y268-S272 PolarHBondContact O-N 2.93Å; Y268-S272 PolarHBondContact O-OG 3.11Å; L269-S272 PolarHBondContact O-N 2.94Å; S272-G274 PolarHBondContact O-N 2.86Å; S272-R275 PolarHBondContact O-N 3.11Å; S272-Q276 WeakPolarHBondContact O-CG 3.25Å; S272-Q276 PolarHBondContact O-N 2.72Å; S272-Q276 VanDerWaalsContact O-N 3.16Å
273	L	95.8	Very high	95.5	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-59.8	-44.3	173.3	-75	166.9	0	0	0	112.5	E220 L269 Y271 R275 Q276 G277 R278 E281 A282 V285	E220-L273 VanDerWaalsContact CD-CD2 3.44Å; E220-L273 HydrophobicContact CG-CD2 4.05Å; E220-L273 HydrophobicContact CG-CG 4.23Å; E220-L273 WeakPolarHBondContact OE1-CD2 3.44Å; L269-L273 HydrophobicContact CD1-CD1 4.2Å; L269-L273 HydrophobicContact CD1-CG 4.43Å; L269-L273 HydrophobicContact CG-CD1 4.17Å; L269-L273 WeakPolarHBondContact O-CG 3.36Å; L269-L273 PolarHBondContact O-N 2.87Å; Y271-L273 VanDerWaalsContact C-N 3.34Å; Y271-L273 PolarHBondContact O-N 3.07Å; L273-R275 VanDerWaalsContact C-N 3.33Å; L273-R275 PolarHBondContact O-N 3.45Å; L273-Q276 PolarHBondContact O-N 2.77Å; L273-G277 PolarHBondContact O-N 2.93Å; L273-R278 HydrophobicContact CD2-CB 4.27Å; L273-R278 PolarHBondContact O-N 3.24Å; L273-E281 HydrophobicContact CD1-CB 4.18Å; L273-E281 HydrophobicContact CD2-CB 4.21Å; L273-A282 HydrophobicContact CB-CB 3.78Å; L273-V285 HydrophobicContact CD1-CG2 3.78Å
274	G	93.9	Very high	95.5	Very high	8 Å²	8	34 Å²	34	8%	0.082	16%	0.159	C	C	.	.	H	α-helix	trans	-61	-40.1	177.2	0	0	0	0	0	112.7	A270 Y271 S272 Q276 G277 Y279	A270-G274 PolarHBondContact O-N 3.46Å; Y271-G274 PolarHBondContact O-N 3.41Å; Y271-G274 VanDerWaalsContact O-N 3.15Å; S272-G274 PolarHBondContact O-N 2.86Å; G274-Q276 VanDerWaalsContact C-N 3.31Å; G274-Q276 PolarHBondContact O-N 3.04Å; G274-G277 PolarHBondContact O-N 3.4Å; G274-Y279 WeakPolarHBondContact O-CE1 3.43Å
275	R	92.4	Very high	95.7	Very high	140 Å²	140	30.2 Å²	30.2	53%	0.528	14%	0.142	S	C	.	.	H	α-helix	trans	-69.6	-25.3	177.1	-69.6	-60.4	-59.3	-89.9	-5.3	113.9	F216 Y271 S272 L273	F216-R275 HydrophobicContact CB-CB 4.27Å; F216-R275 HydrophobicContact CD1-CB 3.92Å; F216-R275 HydrophobicContact CD1-CG 4.13Å; F216-R275 HydrophobicContact CD2-CB 3.46Å; F216-R275 VanDerWaalsContact CD2-CB 3.46Å; F216-R275 HydrophobicContact CD2-CG 4.15Å; F216-R275 HydrophobicContact CE1-CB 4.13Å; F216-R275 HydrophobicContact CE1-CG 3.88Å; F216-R275 HydrophobicContact CE2-CB 3.7Å; F216-R275 HydrophobicContact CE2-CG 3.9Å; F216-R275 HydrophobicContact CG-CB 3.58Å; F216-R275 HydrophobicContact CG-CG 4.26Å; F216-R275 HydrophobicContact CZ-CB 4.04Å; F216-R275 HydrophobicContact CZ-CG 3.76Å; Y271-R275 HydrophobicContact CD1-CG 3.64Å; Y271-R275 HydrophobicContact CE1-CG 3.28Å; Y271-R275 WeakPolarHBondContact O-CG 3.27Å; Y271-R275 PolarHBondContact O-N 3.18Å; Y271-R275 PolarHBondContact OH-NH1 3.37Å; Y271-R275 VanDerWaalsContact OH-NH1 3.11Å; S272-R275 PolarHBondContact O-N 3.11Å; L273-R275 VanDerWaalsContact C-N 3.33Å; L273-R275 PolarHBondContact O-N 3.45Å
276	Q	92.1	Very high	95.7	Very high	32 Å²	32	30.3 Å²	30.3	15%	0.15	14%	0.143	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.6	-6.2	168.9	-65.1	176.8	38.5	0	0	112.8	F216 E217 E220 S272 L273 G274 R278 P319	F216-Q276 HydrophobicContact CB-CG 4.03Å; F216-Q276 PolarHBondContact O-NE2 3.1Å; E217-Q276 HydrophobicContact CG-CG 4.4Å; E220-Q276 PolarHBondContact OE2-NE2 3.05Å; E220-Q276 PolarHBondContact OE2-OE1 3Å; S272-Q276 WeakPolarHBondContact O-CG 3.25Å; S272-Q276 PolarHBondContact O-N 2.72Å; S272-Q276 VanDerWaalsContact O-N 3.16Å; L273-Q276 PolarHBondContact O-N 2.77Å; G274-Q276 VanDerWaalsContact C-N 3.31Å; G274-Q276 PolarHBondContact O-N 3.04Å; Q276-R278 VanDerWaalsContact C-N 3.29Å; Q276-R278 HydrophobicContact CB-CG 4.35Å; Q276-R278 VanDerWaalsContact OE1-CD 3.31Å; Q276-R278 VanDerWaalsContact OE1-NH1 3.12Å; Q276-P319 WeakPolarHBondContact O-CA 3.28Å; Q276-P319 WeakPolarHBondContact O-CB 3.46Å
277	G	91.5	Very high	95.7	Very high	5 Å²	5	35.2 Å²	35.2	5%	0.052	16%	0.161	C	C	.	.	T	Hydrogen-bonded Turn	trans	76	14.3	-174.8	0	0	0	0	0	114	L273 G274 Y279 G315	L273-G277 PolarHBondContact O-N 2.93Å; G274-G277 PolarHBondContact O-N 3.4Å; G277-Y279 PolarHBondContact O-N 2.93Å; G277-Y279 VanDerWaalsContact O-N 3.09Å; G277-G315 WeakPolarHBondContact O-CA 3.37Å
278	R	93.6	Very high	95.7	Very high	42 Å²	42	38.1 Å²	38.1	16%	0.158	18%	0.176	C	C	.	.			trans	-86.2	61.9	177	-70.9	167.3	65	-166.3	-6.8	110.2	E220 L273 Q276 A280 E281 A282 P319	E220-R278 VanDerWaalsContact CD-NH1 3.27Å; E220-R278 IonicContact OE1-CZ 2.73Å; E220-R278 IonicContact OE1-NH1 3.53Å; E220-R278 PolarHBondContact OE1-NH1 2.96Å; E220-R278 VanDerWaalsContact OE1-NH1 3.15Å; E220-R278 IonicContact OE1-NH2 3.35Å; E220-R278 PolarHBondContact OE1-NH2 3.16Å; E220-R278 IonicContact OE2-CZ 3.65Å; E220-R278 IonicContact OE2-NH1 3.54Å; E220-R278 PolarHBondContact OE2-NH1 2.99Å; L273-R278 HydrophobicContact CD2-CB 4.27Å; L273-R278 PolarHBondContact O-N 3.24Å; Q276-R278 VanDerWaalsContact C-N 3.29Å; Q276-R278 HydrophobicContact CB-CG 4.35Å; Q276-R278 VanDerWaalsContact OE1-CD 3.31Å; Q276-R278 VanDerWaalsContact OE1-NH1 3.12Å; R278-A280 PolarHBondContact O-N 2.83Å; R278-E281 IonicContact CZ-OE1 2.73Å; R278-E281 VanDerWaalsContact CZ-OE1 3.23Å; R278-E281 IonicContact CZ-OE2 2.87Å; R278-E281 IonicContact NE-OE1 2.76Å; R278-E281 PolarHBondContact NE-OE1 3.03Å; R278-E281 IonicContact NE-OE2 2.86Å; R278-E281 IonicContact NH2-OE1 3.78Å; R278-E281 PolarHBondContact NH2-OE1 3.27Å; R278-E281 IonicContact NH2-OE2 2.64Å; R278-E281 PolarHBondContact NH2-OE2 3.48Å; R278-E281 PolarHBondContact O-N 3.44Å; R278-A282 WeakPolarHBondContact O-CB 3.23Å; R278-A282 PolarHBondContact O-N 2.85Å; R278-P319 HydrophobicContact CG-CB 4.22Å
279	Y	95	Very high	95.7	Very high	22 Å²	22	35 Å²	35	9%	0.086	16%	0.164	C	C	.	.	H	α-helix	trans	-63.5	-35.9	-168.4	-58.9	-48	0	0	0	113.9	G274 G277 E281 A282 L283 Y305 Y306 Q309 E314 G315	G274-Y279 WeakPolarHBondContact O-CE1 3.43Å; G277-Y279 PolarHBondContact O-N 2.93Å; G277-Y279 VanDerWaalsContact O-N 3.09Å; Y279-E281 VanDerWaalsContact C-N 3.34Å; Y279-E281 PolarHBondContact O-N 2.88Å; Y279-A282 PolarHBondContact O-N 3.04Å; Y279-L283 VanDerWaalsContact O-CB 3.23Å; Y279-L283 WeakPolarHBondContact O-CB 3.42Å; Y279-L283 PolarHBondContact O-N 2.66Å; Y279-Y305 AromaticContact CE1-CE1 3.94Å; Y279-Y305 HydrophobicContact CE1-CE1 3.94Å; Y279-Y305 PolarHBondContact OH-OH 3.48Å; Y279-Y306 AromaticContact CD1-CD1 3.51Å; Y279-Y306 HydrophobicContact CD1-CD1 3.51Å; Y279-Y306 AromaticContact CD1-CE1 3.89Å; Y279-Y306 HydrophobicContact CD1-CE1 3.89Å; Y279-Y306 HydrophobicContact CE1-CD1 4.19Å; Y279-Y306 HydrophobicContact CE1-CE1 4.3Å; Y279-Y306 HydrophobicContact CG-CD1 4.29Å; Y279-Q309 HydrophobicContact CD2-CB 3.39Å; Y279-Q309 HydrophobicContact CD2-CG 4.03Å; Y279-Q309 HydrophobicContact CE1-CG 4.34Å; Y279-Q309 HydrophobicContact CE2-CB 3.5Å; Y279-Q309 HydrophobicContact CE2-CG 3.71Å; Y279-Q309 HydrophobicContact CG-CB 3.98Å; Y279-Q309 HydrophobicContact CG-CG 4.47Å; Y279-E314 HydrophobicContact CD2-CB 4.23Å; Y279-E314 HydrophobicContact CE2-CB 4.06Å; Y279-G315 PolarHBondContact N-O 3.23Å
280	A	94.2	Very high	95.7	Very high	30 Å²	30	36.4 Å²	36.4	25%	0.248	17%	0.171	C	C	.	.	H	α-helix	trans	-62.8	-40.7	177.7	0	0	0	0	0	112.5	R278 N284 I310 G315	R278-A280 PolarHBondContact O-N 2.83Å; A280-N284 PolarHBondContact O-N 2.85Å; A280-I310 HydrophobicContact CB-CD1 4.3Å; A280-G315 PolarHBondContact N-O 2.93Å
281	E	94.9	Very high	95.6	Very high	67 Å²	67	43 Å²	43	31%	0.313	20%	0.202	S	C	.	.	H	α-helix	trans	-73.6	-42.6	176.6	-65.9	-178.8	-101.4	0	0	111.4	R224 L273 R278 Y279 L283 N284 V285	R224-E281 IonicContact NH2-OE2 3.54Å; L273-E281 HydrophobicContact CD1-CB 4.18Å; L273-E281 HydrophobicContact CD2-CB 4.21Å; R278-E281 IonicContact CZ-OE1 2.73Å; R278-E281 VanDerWaalsContact CZ-OE1 3.23Å; R278-E281 IonicContact CZ-OE2 2.87Å; R278-E281 IonicContact NE-OE1 2.76Å; R278-E281 PolarHBondContact NE-OE1 3.03Å; R278-E281 IonicContact NE-OE2 2.86Å; R278-E281 IonicContact NH2-OE1 3.78Å; R278-E281 PolarHBondContact NH2-OE1 3.27Å; R278-E281 IonicContact NH2-OE2 2.64Å; R278-E281 PolarHBondContact NH2-OE2 3.48Å; R278-E281 PolarHBondContact O-N 3.44Å; Y279-E281 VanDerWaalsContact C-N 3.34Å; Y279-E281 PolarHBondContact O-N 2.88Å; E281-L283 PolarHBondContact O-N 3.34Å; E281-N284 PolarHBondContact O-N 3.28Å; E281-V285 WeakPolarHBondContact O-CG2 3.41Å; E281-V285 PolarHBondContact O-N 2.91Å
282	A	96.8	Very high	95.5	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-57.2	-40.5	174.6	0	0	0	0	0	111.4	L273 R278 Y279 V285 T286 Y306	L273-A282 HydrophobicContact CB-CB 3.78Å; R278-A282 WeakPolarHBondContact O-CB 3.23Å; R278-A282 PolarHBondContact O-N 2.85Å; Y279-A282 PolarHBondContact O-N 3.04Å; A282-V285 PolarHBondContact O-N 2.96Å; A282-T286 VanDerWaalsContact O-CB 3.28Å; A282-T286 WeakPolarHBondContact O-CB 3.48Å; A282-T286 PolarHBondContact O-N 3.49Å; A282-T286 PolarHBondContact O-OG1 3.36Å; A282-Y306 HydrophobicContact CB-CD1 4.46Å; A282-Y306 HydrophobicContact CB-CD2 3.9Å; A282-Y306 HydrophobicContact CB-CE1 4.21Å; A282-Y306 HydrophobicContact CB-CE2 3.57Å; A282-Y306 HydrophobicContact CB-CG 4.34Å
283	L	97.3	Very high	95.5	Very high	15 Å²	15	48.9 Å²	48.9	8%	0.079	23%	0.231	C	C	.	.	H	α-helix	trans	-62.8	-45.1	176.1	177.3	59.9	0	0	0	112	Y279 E281 V285 T286 R287 E303 V307 I310	Y279-L283 VanDerWaalsContact O-CB 3.23Å; Y279-L283 WeakPolarHBondContact O-CB 3.42Å; Y279-L283 PolarHBondContact O-N 2.66Å; E281-L283 PolarHBondContact O-N 3.34Å; L283-V285 PolarHBondContact O-N 2.81Å; L283-T286 PolarHBondContact O-N 3.24Å; L283-R287 HydrophobicContact CD1-CG 4.44Å; L283-R287 WeakPolarHBondContact O-CG 3.36Å; L283-R287 PolarHBondContact O-N 3.11Å; L283-E303 HydrophobicContact CD1-CB 4.34Å; L283-E303 HydrophobicContact CD1-CG 3.67Å; L283-V307 HydrophobicContact CD1-CG2 4.01Å; L283-V307 HydrophobicContact CD2-CG2 3.98Å; L283-I310 HydrophobicContact CB-CD1 4.31Å; L283-I310 HydrophobicContact CD2-CD1 3.74Å
284	N	96.7	Very high	95.4	Very high	98 Å²	98	53.2 Å²	53.2	52%	0.524	26%	0.26	S	S	.	.	H	α-helix	trans	-61.1	-45.8	177.4	-70.5	-18.1	0	0	0	111.5	A280 E281 T286 R287 L288	A280-N284 PolarHBondContact O-N 2.85Å; E281-N284 PolarHBondContact O-N 3.28Å; N284-T286 VanDerWaalsContact C-N 3.34Å; N284-T286 PolarHBondContact O-N 2.88Å; N284-R287 PolarHBondContact O-N 3.04Å; N284-L288 PolarHBondContact O-N 3.42Å
285	V	97.7	Very high	95.4	Very high	14 Å²	14	59 Å²	59	9%	0.085	29%	0.293	C	S	.	.	H	α-helix	trans	-65.2	-39	176.6	179.8	0	0	0	0	111.2	L266 L269 A270 L273 E281 A282 L283 R287 L288 L289	L266-V285 HydrophobicContact CB-CG1 4.23Å; L266-V285 HydrophobicContact CD2-CG1 3.84Å; L266-V285 WeakPolarHBondContact O-CG1 3.38Å; L269-V285 HydrophobicContact CB-CG1 4.2Å; L269-V285 HydrophobicContact CD2-CG1 4.02Å; L269-V285 HydrophobicContact CD2-CG2 4.19Å; L269-V285 HydrophobicContact CG-CG1 4.04Å; L269-V285 HydrophobicContact CG-CG2 4.38Å; A270-V285 HydrophobicContact CB-CB 4.16Å; A270-V285 HydrophobicContact CB-CG1 3.83Å; L273-V285 HydrophobicContact CD1-CG2 3.78Å; E281-V285 WeakPolarHBondContact O-CG2 3.41Å; E281-V285 PolarHBondContact O-N 2.91Å; A282-V285 PolarHBondContact O-N 2.96Å; L283-V285 PolarHBondContact O-N 2.81Å; V285-R287 VanDerWaalsContact C-N 3.3Å; V285-R287 PolarHBondContact O-N 3.17Å; V285-L288 PolarHBondContact O-N 3.19Å; V285-L289 PolarHBondContact O-N 2.92Å
286	T	98.2	Very high	95.5	Very high	1 Å²	1	53.4 Å²	53.4	1%	0.006	27%	0.274	C	S	.	.	H	α-helix	trans	-63.4	-36.5	177.5	-58.2	0	0	0	0	111.7	A282 L283 N284 L289 I290 A299 N302 E303 Y306	A282-T286 VanDerWaalsContact O-CB 3.28Å; A282-T286 WeakPolarHBondContact O-CB 3.48Å; A282-T286 PolarHBondContact O-N 3.49Å; A282-T286 PolarHBondContact O-OG1 3.36Å; L283-T286 PolarHBondContact O-N 3.24Å; N284-T286 VanDerWaalsContact C-N 3.34Å; N284-T286 PolarHBondContact O-N 2.88Å; T286-L289 WeakPolarHBondContact O-CB 3.39Å; T286-L289 PolarHBondContact O-N 3.37Å; T286-I290 HydrophobicContact CG2-CD1 4.14Å; T286-I290 WeakPolarHBondContact O-CG1 3.49Å; T286-I290 PolarHBondContact O-N 2.77Å; T286-A299 HydrophobicContact CG2-CB 4.09Å; T286-A299 WeakPolarHBondContact CG2-O 3.49Å; T286-N302 HydrophobicContact CG2-CB 4.34Å; T286-E303 HydrophobicContact CG2-CB 4.03Å; T286-Y306 WeakPolarHBondContact OG1-CE2 3.29Å
287	R	98	Very high	95.6	Very high	109 Å²	109	56.8 Å²	56.8	41%	0.411	30%	0.297	S	S	.	.	H	α-helix	trans	-67.2	-42.3	175.4	-75.4	174.1	175	165.9	-1.1	112.5	L283 N284 V285 L289 I290 E291 E303	L283-R287 HydrophobicContact CD1-CG 4.44Å; L283-R287 WeakPolarHBondContact O-CG 3.36Å; L283-R287 PolarHBondContact O-N 3.11Å; N284-R287 PolarHBondContact O-N 3.04Å; V285-R287 VanDerWaalsContact C-N 3.3Å; V285-R287 PolarHBondContact O-N 3.17Å; R287-L289 VanDerWaalsContact C-N 3.26Å; R287-L289 PolarHBondContact O-N 3.42Å; R287-I290 PolarHBondContact O-N 2.88Å; R287-I290 VanDerWaalsContact O-N 3.12Å; R287-E291 WeakPolarHBondContact O-CG 3.4Å; R287-E291 PolarHBondContact O-N 3.39Å; R287-E303 WeakPolarHBondContact CG-OE1 3.48Å; R287-E303 IonicContact CZ-OE1 3.8Å; R287-E303 IonicContact NE-OE1 2.97Å; R287-E303 PolarHBondContact NE-OE1 3.21Å; R287-E303 IonicContact NH2-OE1 3.7Å
288	L	97.3	Very high	95.7	Very high	80 Å²	80	60.4 Å²	60.4	42%	0.419	31%	0.309	S	S	.	.	H	α-helix	trans	-59.1	-40.8	171.5	-65.2	174.2	0	0	0	111.2	L266 N284 V285 I290 E291 E292	L266-L288 HydrophobicContact CD1-CB 4.03Å; N284-L288 PolarHBondContact O-N 3.42Å; V285-L288 PolarHBondContact O-N 3.19Å; L288-I290 VanDerWaalsContact C-N 3.35Å; L288-I290 PolarHBondContact O-N 3.33Å; L288-E291 PolarHBondContact O-N 3.23Å; L288-E292 WeakPolarHBondContact O-CG 3.38Å; L288-E292 PolarHBondContact O-N 2.8Å
289	L	97.3	Very high	95.7	Very high	1 Å²	1	58.4 Å²	58.4	1%	0.005	30%	0.301	C	S	.	.	H	α-helix	trans	-63.1	-38.5	174.6	175.6	61.4	0	0	0	112.6	G263 L266 D267 V285 T286 R287 E291 E292 E293 A299	G263-L289 WeakPolarHBondContact O-CD1 3.44Å; L266-L289 HydrophobicContact CB-CB 4.04Å; L266-L289 HydrophobicContact CB-CD1 4.23Å; L266-L289 HydrophobicContact CD1-CB 4.41Å; D267-L289 HydrophobicContact CB-CD1 4.25Å; D267-L289 HydrophobicContact CB-CD2 3.6Å; V285-L289 PolarHBondContact O-N 2.92Å; T286-L289 WeakPolarHBondContact O-CB 3.39Å; T286-L289 PolarHBondContact O-N 3.37Å; R287-L289 VanDerWaalsContact C-N 3.26Å; R287-L289 PolarHBondContact O-N 3.42Å; L289-E291 VanDerWaalsContact C-N 3.35Å; L289-E292 PolarHBondContact O-N 3.05Å; L289-E293 HydrophobicContact CD1-CB 4.41Å; L289-E293 HydrophobicContact CD1-CG 4.4Å; L289-E293 WeakPolarHBondContact O-CA 3.49Å; L289-E293 PolarHBondContact O-N 3.02Å; L289-A299 HydrophobicContact CD2-CB 3.62Å; L289-A299 HydrophobicContact CG-CB 3.91Å
290	I	96.9	Very high	95.7	Very high	36 Å²	36	61 Å²	61	19%	0.185	32%	0.316	C	S	.	.	H	α-helix	trans	-70	-33.9	176.8	-68.4	165.8	0	0	0	111.2	T286 R287 L288 E293 P294 A299 I300 E303	T286-I290 HydrophobicContact CG2-CD1 4.14Å; T286-I290 WeakPolarHBondContact O-CG1 3.49Å; T286-I290 PolarHBondContact O-N 2.77Å; R287-I290 PolarHBondContact O-N 2.88Å; R287-I290 VanDerWaalsContact O-N 3.12Å; L288-I290 VanDerWaalsContact C-N 3.35Å; L288-I290 PolarHBondContact O-N 3.33Å; I290-E293 CarbonylContact O-C 3.4Å; I290-P294 WeakPolarHBondContact O-CA 3.45Å; I290-P294 WeakPolarHBondContact O-CD 3.43Å; I290-P294 WeakPolarHBondContact O-CG 3.38Å; I290-P294 VanDerWaalsContact O-N 3.11Å; I290-A299 HydrophobicContact CD1-CB 4.34Å; I290-A299 HydrophobicContact CG1-CB 3.71Å; I290-I300 HydrophobicContact CD1-CG1 4.49Å; I290-E303 HydrophobicContact CD1-CB 4.12Å; I290-E303 WeakPolarHBondContact CD1-OE2 3.48Å
291	E	95.9	Very high	95.8	Very high	140 Å²	140	64.9 Å²	64.9	65%	0.654	33%	0.333	S	S	*	.	H	α-helix	trans	-63.2	-43.2	173.3	-72.3	172.9	-171.9	0	0	111.4	R287 L288 L289	R287-E291 WeakPolarHBondContact O-CG 3.4Å; R287-E291 PolarHBondContact O-N 3.39Å; L288-E291 PolarHBondContact O-N 3.23Å; L289-E291 VanDerWaalsContact C-N 3.35Å
292	E	93.7	Very high	95.8	Very high	122 Å²	122	63.2 Å²	63.2	57%	0.57	33%	0.326	S	S	*	.	H	α-helix	trans	-74.6	-40.2	177.2	-68.2	-63.2	142.4	0	0	113.1	V262 L266 L288 L289	V262-E292 HydrophobicContact CG1-CG 4.07Å; L266-E292 HydrophobicContact CD1-CG 4.37Å; L288-E292 WeakPolarHBondContact O-CG 3.38Å; L288-E292 PolarHBondContact O-N 2.8Å; L289-E292 PolarHBondContact O-N 3.05Å
293	E	95.5	Very high	95.8	Very high	65 Å²	65	65.7 Å²	65.7	30%	0.304	34%	0.337	S	S	.	.			trans	-129.9	76.8	-177.6	-62.4	-175.8	173.4	0	0	112	L289 I290 T295 N296	L289-E293 HydrophobicContact CD1-CB 4.41Å; L289-E293 HydrophobicContact CD1-CG 4.4Å; L289-E293 WeakPolarHBondContact O-CA 3.49Å; L289-E293 PolarHBondContact O-N 3.02Å; I290-E293 CarbonylContact O-C 3.4Å; E293-T295 PolarHBondContact O-N 3.46Å; E293-N296 HydrophobicContact CB-CB 3.91Å; E293-N296 VanDerWaalsContact O-CB 3.29Å; E293-N296 WeakPolarHBondContact O-CB 3.06Å; E293-N296 PolarHBondContact O-N 3.45Å; E293-N296 PolarHBondContact OE2-ND2 3.09Å
294	P	95.2	Very high	95.7	Very high	91 Å²	91	68 Å²	68	59%	0.591	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.2	-14.8	-175.4	-25.5	33.8	0	0	0	115.5	I290	I290-P294 WeakPolarHBondContact O-CA 3.45Å; I290-P294 WeakPolarHBondContact O-CD 3.43Å; I290-P294 WeakPolarHBondContact O-CG 3.38Å; I290-P294 VanDerWaalsContact O-N 3.11Å
295	T	93.9	Very high	95.6	Very high	129 Å²	129	68.2 Å²	68.2	79%	0.791	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.8	2	179.4	61.5	0	0	0	0	113.3	E293 T297	E293-T295 PolarHBondContact O-N 3.46Å; T295-T297 PolarHBondContact O-N 2.83Å
296	N	93.5	Very high	95.5	Very high	23 Å²	23	67.9 Å²	67.9	12%	0.123	35%	0.35	C	S	.	.			trans	-70.5	96.1	-179.9	-170.5	-38.6	0	0	0	110.8	E293 R298 A299 I300	E293-N296 HydrophobicContact CB-CB 3.91Å; E293-N296 VanDerWaalsContact O-CB 3.29Å; E293-N296 WeakPolarHBondContact O-CB 3.06Å; E293-N296 PolarHBondContact O-N 3.45Å; E293-N296 PolarHBondContact OE2-ND2 3.09Å; N296-R298 PolarHBondContact O-N 3.2Å; N296-R298 WeakPolarHBondContact OD1-CB 3.43Å; N296-R298 PolarHBondContact OD1-N 3.1Å; N296-R298 VanDerWaalsContact OD1-N 3.13Å; N296-A299 HydrophobicContact CB-CB 3.98Å; N296-A299 WeakPolarHBondContact O-CB 3.45Å; N296-A299 PolarHBondContact O-N 3.1Å; N296-A299 PolarHBondContact OD1-N 3.06Å; N296-I300 WeakPolarHBondContact O-CG1 3.4Å; N296-I300 PolarHBondContact O-N 3.45Å; N296-I300 VanDerWaalsContact O-N 3.15Å
297	T	93.8	Very high	95.4	Very high	102 Å²	102	70.1 Å²	70.1	63%	0.626	36%	0.364	S	S	*	.	H	α-helix	trans	-60.1	-31.1	-178.6	55	0	0	0	0	113.4	T295 N301	T295-T297 PolarHBondContact O-N 2.83Å; T297-N301 VanDerWaalsContact O-CG 3.25Å; T297-N301 PolarHBondContact O-N 2.79Å; T297-N301 VanDerWaalsContact O-N 3.13Å; T297-N301 PolarHBondContact O-ND2 3.32Å
298	R	93.5	Very high	95.3	Very high	81 Å²	81	69.1 Å²	69.1	31%	0.306	36%	0.364	S	S	.	.	H	α-helix	trans	-68.4	-43.9	177.3	-179.1	163.5	72.8	104.4	-29.8	110.8	D267 N296 N301 N302	D267-R298 PolarHBondContact O-NH1 3.14Å; D267-R298 IonicContact OD1-CZ 2.85Å; D267-R298 IonicContact OD1-NE 2.96Å; D267-R298 PolarHBondContact OD1-NE 3.02Å; D267-R298 IonicContact OD1-NH1 3.28Å; D267-R298 PolarHBondContact OD1-NH1 2.92Å; D267-R298 IonicContact OD1-NH2 3.86Å; D267-R298 PolarHBondContact OD1-NH2 3.1Å; D267-R298 IonicContact OD2-CZ 3.23Å; D267-R298 IonicContact OD2-NE 2.97Å; D267-R298 PolarHBondContact OD2-NE 3.33Å; D267-R298 IonicContact OD2-NH1 3.18Å; D267-R298 IonicContact OD2-NH2 3.85Å; D267-R298 PolarHBondContact OD2-NH2 2.59Å; N296-R298 PolarHBondContact O-N 3.2Å; N296-R298 WeakPolarHBondContact OD1-CB 3.43Å; N296-R298 PolarHBondContact OD1-N 3.1Å; N296-R298 VanDerWaalsContact OD1-N 3.13Å; R298-N301 PolarHBondContact O-N 2.84Å; R298-N302 WeakPolarHBondContact O-CB 3.37Å; R298-N302 PolarHBondContact O-N 3.43Å; R298-N302 PolarHBondContact O-ND2 3.18Å
299	A	95	Very high	95	Very high	0 Å²	0	66 Å²	66	0%	0	35%	0.347	C	S	.	.	H	α-helix	trans	-61.1	-46.7	176.5	0	0	0	0	0	111.8	T286 L289 I290 N296 N301 N302 E303	T286-A299 HydrophobicContact CG2-CB 4.09Å; T286-A299 WeakPolarHBondContact CG2-O 3.49Å; L289-A299 HydrophobicContact CD2-CB 3.62Å; L289-A299 HydrophobicContact CG-CB 3.91Å; I290-A299 HydrophobicContact CD1-CB 4.34Å; I290-A299 HydrophobicContact CG1-CB 3.71Å; N296-A299 HydrophobicContact CB-CB 3.98Å; N296-A299 WeakPolarHBondContact O-CB 3.45Å; N296-A299 PolarHBondContact O-N 3.1Å; N296-A299 PolarHBondContact OD1-N 3.06Å; A299-N301 VanDerWaalsContact C-N 3.35Å; A299-N301 PolarHBondContact O-N 3.35Å; A299-N302 PolarHBondContact O-N 2.93Å; A299-E303 PolarHBondContact O-N 2.68Å
300	I	95.3	Very high	94.8	Very high	78 Å²	78	67.3 Å²	67.3	40%	0.4	35%	0.353	S	S	.	.	H	α-helix	trans	-59.3	-44.3	178.3	-64.2	166.6	0	0	0	111.5	I290 N296 E303 A304	I290-I300 HydrophobicContact CD1-CG1 4.49Å; N296-I300 WeakPolarHBondContact O-CG1 3.4Å; N296-I300 PolarHBondContact O-N 3.45Å; N296-I300 VanDerWaalsContact O-N 3.15Å; I300-E303 PolarHBondContact O-N 3.23Å; I300-A304 PolarHBondContact O-N 3.17Å
301	N	94.8	Very high	94.7	Very high	111 Å²	111	71.1 Å²	71.1	59%	0.594	37%	0.374	S	S	*	.	H	α-helix	trans	-68.2	-39.7	177.9	-69.9	-31.4	0	0	0	112.2	T297 R298 A299 A304 Y305	T297-N301 VanDerWaalsContact O-CG 3.25Å; T297-N301 PolarHBondContact O-N 2.79Å; T297-N301 VanDerWaalsContact O-N 3.13Å; T297-N301 PolarHBondContact O-ND2 3.32Å; R298-N301 PolarHBondContact O-N 2.84Å; A299-N301 VanDerWaalsContact C-N 3.35Å; A299-N301 PolarHBondContact O-N 3.35Å; N301-A304 PolarHBondContact O-N 3.36Å; N301-Y305 PolarHBondContact O-N 2.98Å; N301-Y305 VanDerWaalsContact O-N 3.1Å
302	N	95.3	Very high	94.4	Very high	31 Å²	31	71.9 Å²	71.9	17%	0.166	37%	0.371	C	S	.	.	H	α-helix	trans	-65.3	-39.3	176.7	-75	-12.4	0	0	0	111.7	T286 R298 A299 Y305 Y306	T286-N302 HydrophobicContact CG2-CB 4.34Å; R298-N302 WeakPolarHBondContact O-CB 3.37Å; R298-N302 PolarHBondContact O-N 3.43Å; R298-N302 PolarHBondContact O-ND2 3.18Å; A299-N302 PolarHBondContact O-N 2.93Å; N302-Y305 PolarHBondContact O-N 2.73Å; N302-Y306 HydrophobicContact CB-CD2 4.35Å; N302-Y306 HydrophobicContact CB-CE2 3.81Å; N302-Y306 WeakPolarHBondContact O-CD2 3.29Å; N302-Y306 PolarHBondContact O-N 2.85Å
303	E	97	Very high	94.1	Very high	53 Å²	53	68.2 Å²	68.2	25%	0.248	37%	0.366	C	S	.	.	H	α-helix	trans	-57.3	-51.3	174.9	175.6	168.6	-140.1	0	0	110.7	L283 T286 R287 I290 A299 I300 Y305 Y306 V307	L283-E303 HydrophobicContact CD1-CB 4.34Å; L283-E303 HydrophobicContact CD1-CG 3.67Å; T286-E303 HydrophobicContact CG2-CB 4.03Å; R287-E303 WeakPolarHBondContact CG-OE1 3.48Å; R287-E303 IonicContact CZ-OE1 3.8Å; R287-E303 IonicContact NE-OE1 2.97Å; R287-E303 PolarHBondContact NE-OE1 3.21Å; R287-E303 IonicContact NH2-OE1 3.7Å; I290-E303 HydrophobicContact CD1-CB 4.12Å; I290-E303 WeakPolarHBondContact CD1-OE2 3.48Å; A299-E303 PolarHBondContact O-N 2.68Å; I300-E303 PolarHBondContact O-N 3.23Å; E303-Y305 VanDerWaalsContact C-N 3.29Å; E303-Y305 PolarHBondContact O-N 3.45Å; E303-Y306 PolarHBondContact O-N 2.88Å; E303-V307 HydrophobicContact CG-CG2 4.35Å; E303-V307 WeakPolarHBondContact O-CB 3.39Å; E303-V307 VanDerWaalsContact O-CG2 3.3Å; E303-V307 WeakPolarHBondContact O-CG2 3.06Å; E303-V307 PolarHBondContact O-N 3.06Å
304	A	95	Very high	93.7	Very high	63 Å²	63	68.3 Å²	68.3	52%	0.521	37%	0.367	S	S	.	.	H	α-helix	trans	-57.8	-43.2	178.4	0	0	0	0	0	111.8	I300 N301 E308	I300-A304 PolarHBondContact O-N 3.17Å; N301-A304 PolarHBondContact O-N 3.36Å; A304-E308 WeakPolarHBondContact O-CB 3.4Å; A304-E308 PolarHBondContact O-N 2.91Å
305	Y	95	Very high	93.2	Very high	102 Å²	102	64.3 Å²	64.3	40%	0.4	34%	0.342	S	S	.	.	H	α-helix	trans	-63.7	-48.4	176.8	175.6	-97.8	0	0	0	112.4	Y279 N301 N302 E303 V307 E308 Q309	Y279-Y305 AromaticContact CE1-CE1 3.94Å; Y279-Y305 HydrophobicContact CE1-CE1 3.94Å; Y279-Y305 PolarHBondContact OH-OH 3.48Å; N301-Y305 PolarHBondContact O-N 2.98Å; N301-Y305 VanDerWaalsContact O-N 3.1Å; N302-Y305 PolarHBondContact O-N 2.73Å; E303-Y305 VanDerWaalsContact C-N 3.29Å; E303-Y305 PolarHBondContact O-N 3.45Å; Y305-V307 PolarHBondContact O-N 3.35Å; Y305-E308 WeakPolarHBondContact O-CB 3.19Å; Y305-E308 PolarHBondContact O-N 3.42Å; Y305-Q309 HydrophobicContact CD1-CG 4.23Å; Y305-Q309 HydrophobicContact CE1-CG 3.74Å; Y305-Q309 HydrophobicContact CE2-CG 4.08Å; Y305-Q309 VanDerWaalsContact CE2-NE2 3.29Å; Y305-Q309 WeakPolarHBondContact O-CG 3.29Å; Y305-Q309 PolarHBondContact O-N 2.85Å
306	Y	95.6	Very high	92.7	Very high	8 Å²	8	64.9 Å²	64.9	3%	0.031	33%	0.329	C	S	.	.	H	α-helix	trans	-64.9	-39	-179	-61.2	-33.9	0	0	0	112.2	A270 Y279 A282 T286 N302 E303 E308 Q309 I310	A270-Y306 PolarHBondContact O-OH 3.29Å; Y279-Y306 AromaticContact CD1-CD1 3.51Å; Y279-Y306 HydrophobicContact CD1-CD1 3.51Å; Y279-Y306 AromaticContact CD1-CE1 3.89Å; Y279-Y306 HydrophobicContact CD1-CE1 3.89Å; Y279-Y306 HydrophobicContact CE1-CD1 4.19Å; Y279-Y306 HydrophobicContact CE1-CE1 4.3Å; Y279-Y306 HydrophobicContact CG-CD1 4.29Å; A282-Y306 HydrophobicContact CB-CD1 4.46Å; A282-Y306 HydrophobicContact CB-CD2 3.9Å; A282-Y306 HydrophobicContact CB-CE1 4.21Å; A282-Y306 HydrophobicContact CB-CE2 3.57Å; A282-Y306 HydrophobicContact CB-CG 4.34Å; T286-Y306 WeakPolarHBondContact OG1-CE2 3.29Å; N302-Y306 HydrophobicContact CB-CD2 4.35Å; N302-Y306 HydrophobicContact CB-CE2 3.81Å; N302-Y306 WeakPolarHBondContact O-CD2 3.29Å; N302-Y306 PolarHBondContact O-N 2.85Å; E303-Y306 PolarHBondContact O-N 2.88Å; Y306-E308 VanDerWaalsContact C-N 3.35Å; Y306-Q309 PolarHBondContact O-N 2.93Å; Y306-I310 WeakPolarHBondContact O-CB 3.44Å; Y306-I310 WeakPolarHBondContact O-CD1 3.44Å; Y306-I310 WeakPolarHBondContact O-CG1 3.48Å; Y306-I310 PolarHBondContact O-N 3.37Å
307	V	96.2	Very high	91.9	Very high	48 Å²	48	71.7 Å²	71.7	29%	0.291	36%	0.364	S	S	.	.	H	α-helix	trans	-58.8	-47.7	172.3	170.4	0	0	0	0	110.4	L283 E303 Y305 Q309 I310 D311	L283-V307 HydrophobicContact CD1-CG2 4.01Å; L283-V307 HydrophobicContact CD2-CG2 3.98Å; E303-V307 HydrophobicContact CG-CG2 4.35Å; E303-V307 WeakPolarHBondContact O-CB 3.39Å; E303-V307 VanDerWaalsContact O-CG2 3.3Å; E303-V307 WeakPolarHBondContact O-CG2 3.06Å; E303-V307 PolarHBondContact O-N 3.06Å; Y305-V307 PolarHBondContact O-N 3.35Å; V307-Q309 PolarHBondContact O-N 3.5Å; V307-I310 PolarHBondContact O-N 3.06Å; V307-D311 WeakPolarHBondContact O-CB 3.49Å; V307-D311 PolarHBondContact O-N 3.38Å
308	E	95.3	Very high	91	Very high	88 Å²	88	68.1 Å²	68.1	41%	0.411	35%	0.348	S	S	.	.	H	α-helix	trans	-59.3	-44	178.2	-174.3	-176.5	-174.4	0	0	112.4	A304 Y305 Y306 D311 R312	A304-E308 WeakPolarHBondContact O-CB 3.4Å; A304-E308 PolarHBondContact O-N 2.91Å; Y305-E308 WeakPolarHBondContact O-CB 3.19Å; Y305-E308 PolarHBondContact O-N 3.42Å; Y306-E308 VanDerWaalsContact C-N 3.35Å; E308-D311 PolarHBondContact O-N 2.99Å; E308-R312 VanDerWaalsContact O-CG 3.31Å; E308-R312 WeakPolarHBondContact O-CG 3.25Å; E308-R312 PolarHBondContact O-N 3.11Å; E308-R312 VanDerWaalsContact O-N 3.1Å; E308-R312 IonicContact OE1-CZ 3.98Å; E308-R312 IonicContact OE1-NE 2.87Å; E308-R312 IonicContact OE1-NH2 3.38Å; E308-R312 PolarHBondContact OE1-NH2 3.09Å
309	Q	92.4	Very high	90.1	Very high	14 Å²	14	68.1 Å²	68.1	7%	0.065	36%	0.358	C	S	.	.	H	α-helix	trans	-65.2	-42.6	177.9	-61.2	-48.9	-51.3	0	0	112.1	Y279 Y305 Y306 V307 D311 R312 G313 E314	Y279-Q309 HydrophobicContact CD2-CB 3.39Å; Y279-Q309 HydrophobicContact CD2-CG 4.03Å; Y279-Q309 HydrophobicContact CE1-CG 4.34Å; Y279-Q309 HydrophobicContact CE2-CB 3.5Å; Y279-Q309 HydrophobicContact CE2-CG 3.71Å; Y279-Q309 HydrophobicContact CG-CB 3.98Å; Y279-Q309 HydrophobicContact CG-CG 4.47Å; Y305-Q309 HydrophobicContact CD1-CG 4.23Å; Y305-Q309 HydrophobicContact CE1-CG 3.74Å; Y305-Q309 HydrophobicContact CE2-CG 4.08Å; Y305-Q309 VanDerWaalsContact CE2-NE2 3.29Å; Y305-Q309 WeakPolarHBondContact O-CG 3.29Å; Y305-Q309 PolarHBondContact O-N 2.85Å; Y306-Q309 PolarHBondContact O-N 2.93Å; V307-Q309 PolarHBondContact O-N 3.5Å; Q309-D311 VanDerWaalsContact C-N 3.33Å; Q309-D311 PolarHBondContact O-N 3.27Å; Q309-R312 WeakPolarHBondContact O-CB 3.36Å; Q309-R312 PolarHBondContact O-N 2.93Å; Q309-G313 PolarHBondContact O-N 3.15Å; Q309-E314 HydrophobicContact CB-CB 4.45Å; Q309-E314 WeakPolarHBondContact O-CB 3.45Å; Q309-E314 PolarHBondContact O-N 2.95Å; Q309-E314 PolarHBondContact OE1-OE2 3.03Å
310	I	92.5	Very high	88.9	Confident	28 Å²	28	70.8 Å²	70.8	14%	0.144	37%	0.373	C	S	.	.	H	α-helix	trans	-63.8	-39.4	177.7	-71.1	164.2	0	0	0	111	A280 L283 Y306 V307 R312 G313 R316	A280-I310 HydrophobicContact CB-CD1 4.3Å; L283-I310 HydrophobicContact CB-CD1 4.31Å; L283-I310 HydrophobicContact CD2-CD1 3.74Å; Y306-I310 WeakPolarHBondContact O-CB 3.44Å; Y306-I310 WeakPolarHBondContact O-CD1 3.44Å; Y306-I310 WeakPolarHBondContact O-CG1 3.48Å; Y306-I310 PolarHBondContact O-N 3.37Å; V307-I310 PolarHBondContact O-N 3.06Å; I310-R312 VanDerWaalsContact C-N 3.31Å; I310-R312 PolarHBondContact O-N 3.43Å; I310-G313 WeakPolarHBondContact O-CA 3.42Å; I310-G313 PolarHBondContact O-N 3.45Å; I310-R316 HydrophobicContact CG2-CG 4.11Å; I310-R316 VanDerWaalsContact O-CZ 3.28Å; I310-R316 PolarHBondContact O-NE 2.91Å; I310-R316 PolarHBondContact O-NH2 3.03Å
311	D	94.3	Very high	87.4	Confident	116 Å²	116	72.8 Å²	72.8	62%	0.62	39%	0.39	S	S	*	.	H	α-helix	trans	-66.1	-34	177	-76.1	-17.1	0	0	0	111.9	V307 E308 Q309 G313	V307-D311 WeakPolarHBondContact O-CB 3.49Å; V307-D311 PolarHBondContact O-N 3.38Å; E308-D311 PolarHBondContact O-N 2.99Å; Q309-D311 VanDerWaalsContact C-N 3.33Å; Q309-D311 PolarHBondContact O-N 3.27Å; D311-G313 PolarHBondContact O-N 3.4Å
312	R	91.1	Very high	86	Confident	156 Å²	156	76.8 Å²	76.8	59%	0.589	40%	0.397	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.1	-7.8	169.7	-67.6	171	-178.2	-154.7	2.3	113.8	E308 Q309 I310	E308-R312 VanDerWaalsContact O-CG 3.31Å; E308-R312 WeakPolarHBondContact O-CG 3.25Å; E308-R312 PolarHBondContact O-N 3.11Å; E308-R312 VanDerWaalsContact O-N 3.1Å; E308-R312 IonicContact OE1-CZ 3.98Å; E308-R312 IonicContact OE1-NE 2.87Å; E308-R312 IonicContact OE1-NH2 3.38Å; E308-R312 PolarHBondContact OE1-NH2 3.09Å; Q309-R312 WeakPolarHBondContact O-CB 3.36Å; Q309-R312 PolarHBondContact O-N 2.93Å; I310-R312 VanDerWaalsContact C-N 3.31Å; I310-R312 PolarHBondContact O-N 3.43Å
313	G	87.3	Confident	84.2	Confident	46 Å²	46	81 Å²	81	47%	0.474	43%	0.429	S	S	.	.	T	Hydrogen-bonded Turn	trans	91.1	11	178.6	0	0	0	0	0	114.5	Q309 I310 D311	Q309-G313 PolarHBondContact O-N 3.15Å; I310-G313 WeakPolarHBondContact O-CA 3.42Å; I310-G313 PolarHBondContact O-N 3.45Å; D311-G313 PolarHBondContact O-N 3.4Å
314	E	86.5	Confident	82.7	Confident	67 Å²	67	86.2 Å²	86.2	31%	0.313	45%	0.453	S	S	.	.			trans	-91.5	150.1	-179.3	-58.5	-172	-158.8	0	0	112.1	Y279 Q309 R316 N320	Y279-E314 HydrophobicContact CD2-CB 4.23Å; Y279-E314 HydrophobicContact CE2-CB 4.06Å; Q309-E314 HydrophobicContact CB-CB 4.45Å; Q309-E314 WeakPolarHBondContact O-CB 3.45Å; Q309-E314 PolarHBondContact O-N 2.95Å; Q309-E314 PolarHBondContact OE1-OE2 3.03Å; E314-R316 PolarHBondContact O-N 3.19Å; E314-N320 PolarHBondContact OE2-ND2 3.4Å; E314-N320 VanDerWaalsContact OE2-ND2 3.13Å
315	G	84.1	Confident	81.5	Confident	6 Å²	6	87.9 Å²	87.9	6%	0.062	47%	0.467	C	S	.	.	S	Bend	trans	58	20.6	169.4	0	0	0	0	0	116.9	G277 Y279 A280 N320	G277-G315 WeakPolarHBondContact O-CA 3.37Å; Y279-G315 PolarHBondContact N-O 3.23Å; A280-G315 PolarHBondContact N-O 2.93Å; G315-N320 PolarHBondContact N-OD1 3.18Å
316	R	82.7	Confident	80.4	Confident	142 Å²	142	88.3 Å²	88.3	54%	0.536	48%	0.475	S	S	.	.	S	Bend	trans	-71.7	-37	178.5	-71.4	-173.6	-179.6	-173	1.4	112.7	I310 E314	I310-R316 HydrophobicContact CG2-CG 4.11Å; I310-R316 VanDerWaalsContact O-CZ 3.28Å; I310-R316 PolarHBondContact O-NE 2.91Å; I310-R316 PolarHBondContact O-NH2 3.03Å; E314-R316 PolarHBondContact O-N 3.19Å
317	I	77.8	Confident	79.7	Confident	165 Å²	165	90.3 Å²	90.3	85%	0.846	49%	0.491	S	S	*	.	S	Bend	trans	-133.2	107.5	-179.1	-57.3	176	0	0	0	107.5
318	G	74.1	Confident	79	Confident	28 Å²	28	93.7 Å²	93.7	29%	0.289	50%	0.501	S	S	.	.	S	Bend	trans	67	-172.2	178.5	0	0	0	0	0	114
319	P	75.8	Confident	78.3	Confident	81 Å²	81	95.6 Å²	95.6	53%	0.526	51%	0.51	S	S	.	.	S	Bend	trans	-67.9	149.9	178.4	29	-34.1	0	0	0	110.8	Q276 R278	Q276-P319 WeakPolarHBondContact O-CA 3.28Å; Q276-P319 WeakPolarHBondContact O-CB 3.46Å; R278-P319 HydrophobicContact CG-CB 4.22Å
320	N	68.4	Low	77.9	Confident	56 Å²	56	98.8 Å²	98.8	30%	0.299	53%	0.527	S	S	.	.	P	Polyproline II helix	trans	-57.7	139	167.9	-93.9	-4.5	0	0	0	108.9	E314 G315 R322	E314-N320 PolarHBondContact OE2-ND2 3.4Å; E314-N320 VanDerWaalsContact OE2-ND2 3.13Å; G315-N320 PolarHBondContact N-OD1 3.18Å; N320-R322 PolarHBondContact O-N 3.06Å; N320-R322 VanDerWaalsContact O-N 3.16Å
321	P	64.9	Low	77.7	Confident	119 Å²	119	102.7 Å²	102.7	77%	0.773	55%	0.545	S	S	*	.	P	Polyproline II helix	trans	-53.9	125.2	-177.7	-23	30.8	0	0	0	110.8	S323	P321-S323 PolarHBondContact O-N 3.46Å; P321-S323 VanDerWaalsContact O-N 3.11Å
322	R	64.1	Low	77.4	Confident	196 Å²	196	97.8 Å²	97.8	74%	0.74	52%	0.518	S	S	*	.	P	Polyproline II helix	trans	-58.7	119.4	172.2	-71.9	-174.3	-178.6	-173	2.5	107.8	E217 N320 Q324	E217-R322 IonicContact OE1-CZ 3.92Å; E217-R322 IonicContact OE1-NH2 3.47Å; E217-R322 PolarHBondContact OE1-NH2 3.43Å; E217-R322 IonicContact OE2-NH2 3.92Å; N320-R322 PolarHBondContact O-N 3.06Å; N320-R322 VanDerWaalsContact O-N 3.16Å; R322-Q324 PolarHBondContact O-N 2.78Å
323	S	58.9	Low	77.4	Confident	119 Å²	119	92.7 Å²	92.7	83%	0.832	51%	0.505	S	S	*	.			trans	-77	-7.6	-174.2	58.8	0	0	0	0	114	P321	P321-S323 PolarHBondContact O-N 3.46Å; P321-S323 VanDerWaalsContact O-N 3.11Å
324	Q	64.4	Low	77.5	Confident	162 Å²	162	94.8 Å²	94.8	76%	0.757	50%	0.502	S	S	*	.	S	Bend	trans	-116.4	138.4	-170.5	-66.8	180	-6.6	0	0	111.3	R322	R322-Q324 PolarHBondContact O-N 2.78Å
325	A	69.3	Low	77.8	Confident	98 Å²	98	93.7 Å²	93.7	81%	0.81	50%	0.498	S	S	*	.	P	Polyproline II helix	trans	-58	138.9	166.9	0	0	0	0	0	109.4	S327	A325-S327 PolarHBondContact O-N 3.44Å
326	I	73	Confident	78.3	Confident	112 Å²	112	94 Å²	94	57%	0.574	50%	0.498	S	S	*	.	P	Polyproline II helix	trans	-54.7	127.5	176.1	-59.3	174.7	0	0	0	108.2	D330 Q331	I326-D330 HydrophobicContact CG2-CB 3.48Å; I326-D330 VanDerWaalsContact CG2-CB 3.48Å; I326-Q331 HydrophobicContact CB-CG 4.35Å; I326-Q331 HydrophobicContact CG2-CG 3.82Å; I326-Q331 PolarHBondContact O-NE2 3.31Å
327	S	80.8	Confident	78.9	Confident	50 Å²	50	88.4 Å²	88.4	35%	0.35	48%	0.478	S	S	.	.	P	Polyproline II helix	trans	-63.1	155.2	-178.8	80.7	0	0	0	0	110.3	A325 H329 D330 Q331	A325-S327 PolarHBondContact O-N 3.44Å; S327-H329 PolarHBondContact O-N 3.16Å; S327-H329 PolarHBondContact OG-N 2.96Å; S327-D330 WeakPolarHBondContact CB-OD2 3.48Å; S327-D330 PolarHBondContact N-OD2 2.81Å; S327-D330 PolarHBondContact O-N 3.22Å; S327-D330 VanDerWaalsContact O-N 3.13Å; S327-D330 PolarHBondContact OG-N 3.13Å; S327-D330 VanDerWaalsContact OG-N 3.14Å; S327-D330 PolarHBondContact OG-OD1 3.22Å; S327-D330 PolarHBondContact OG-OD2 3.39Å; S327-Q331 WeakPolarHBondContact O-CG 3.42Å; S327-Q331 PolarHBondContact O-N 2.94Å
328	K	81	Confident	79.7	Confident	119 Å²	119	81.2 Å²	81.2	52%	0.517	44%	0.442	S	S	.	.	H	α-helix	trans	-58.2	-33.5	175.5	-73	-172.2	165.7	-162.2	0	112.5	Q331 E332 D583	K328-Q331 PolarHBondContact O-N 3.19Å; K328-E332 PolarHBondContact O-N 2.96Å; K328-D583 WeakPolarHBondContact CD-O 3.38Å; K328-D583 PolarHBondContact NZ-O 2.98Å
329	H	81.7	Confident	80.8	Confident	127 Å²	127	80 Å²	80	59%	0.588	43%	0.429	S	S	*	.	H	α-helix	trans	-65.3	-42.3	176.6	-177.9	64.7	0	0	0	111.9	S327 Q331 E332 T333	S327-H329 PolarHBondContact O-N 3.16Å; S327-H329 PolarHBondContact OG-N 2.96Å; H329-Q331 VanDerWaalsContact C-N 3.33Å; H329-E332 PolarHBondContact O-N 3.19Å; H329-T333 WeakPolarHBondContact O-CB 3.3Å; H329-T333 PolarHBondContact O-N 2.68Å; H329-T333 PolarHBondContact O-OG1 3.49Å
330	D	83.5	Confident	81.8	Confident	82 Å²	82	76.2 Å²	76.2	44%	0.439	40%	0.404	S	S	.	.	H	α-helix	trans	-68.3	-35.1	177	-55.7	-34.4	0	0	0	111	I326 S327 T333 E334	I326-D330 HydrophobicContact CG2-CB 3.48Å; I326-D330 VanDerWaalsContact CG2-CB 3.48Å; S327-D330 WeakPolarHBondContact CB-OD2 3.48Å; S327-D330 PolarHBondContact N-OD2 2.81Å; S327-D330 PolarHBondContact O-N 3.22Å; S327-D330 VanDerWaalsContact O-N 3.13Å; S327-D330 PolarHBondContact OG-N 3.13Å; S327-D330 VanDerWaalsContact OG-N 3.14Å; S327-D330 PolarHBondContact OG-OD1 3.22Å; S327-D330 PolarHBondContact OG-OD2 3.39Å; D330-T333 PolarHBondContact O-N 3.45Å; D330-E334 PolarHBondContact O-N 2.93Å
331	Q	88	Confident	83.1	Confident	110 Å²	110	75.3 Å²	75.3	51%	0.514	40%	0.396	S	S	.	.	H	α-helix	trans	-64	-44.1	173.6	-67.2	173.5	32.5	0	0	112	I326 S327 K328 H329 T333 E334 L335	I326-Q331 HydrophobicContact CB-CG 4.35Å; I326-Q331 HydrophobicContact CG2-CG 3.82Å; I326-Q331 PolarHBondContact O-NE2 3.31Å; S327-Q331 WeakPolarHBondContact O-CG 3.42Å; S327-Q331 PolarHBondContact O-N 2.94Å; K328-Q331 PolarHBondContact O-N 3.19Å; H329-Q331 VanDerWaalsContact C-N 3.33Å; Q331-T333 VanDerWaalsContact C-N 3.29Å; Q331-T333 PolarHBondContact O-N 3.13Å; Q331-E334 PolarHBondContact O-N 2.72Å; Q331-L335 WeakPolarHBondContact O-CB 3.34Å; Q331-L335 PolarHBondContact O-N 3.39Å
332	E	89.1	Confident	84.5	Confident	13 Å²	13	75 Å²	75	6%	0.061	39%	0.388	C	S	.	.	H	α-helix	trans	-63.8	-38.6	174	179.5	166.3	-137.8	0	0	111.4	K328 H329 L335 Y336 P472 R542 F584	K328-E332 PolarHBondContact O-N 2.96Å; H329-E332 PolarHBondContact O-N 3.19Å; E332-L335 PolarHBondContact O-N 2.86Å; E332-Y336 VanDerWaalsContact O-CB 3.25Å; E332-Y336 WeakPolarHBondContact O-CB 3.38Å; E332-Y336 PolarHBondContact O-N 3.26Å; E332-P472 HydrophobicContact CG-CB 4.39Å; E332-P472 HydrophobicContact CG-CG 4.08Å; E332-P472 VanDerWaalsContact OE1-CB 3.24Å; E332-P472 WeakPolarHBondContact OE1-CB 3.39Å; E332-R542 IonicContact OE1-CZ 2.78Å; E332-R542 IonicContact OE1-NE 3.91Å; E332-R542 PolarHBondContact OE1-NE 3.11Å; E332-R542 IonicContact OE1-NH2 3.89Å; E332-R542 PolarHBondContact OE1-NH2 3.18Å; E332-R542 IonicContact OE2-CZ 3.73Å; E332-R542 IonicContact OE2-NE 3.91Å; E332-R542 IonicContact OE2-NH2 3.51Å; E332-R542 PolarHBondContact OE2-NH2 3.22Å; E332-F584 HydrophobicContact CB-CD1 4.33Å; E332-F584 HydrophobicContact CB-CE1 3.63Å; E332-F584 HydrophobicContact CB-CZ 3.98Å; E332-F584 HydrophobicContact CG-CE1 4.24Å; E332-F584 HydrophobicContact CG-CZ 4.21Å
333	T	89.4	Confident	86	Confident	49 Å²	49	69.7 Å²	69.7	30%	0.301	37%	0.372	S	S	.	.	H	α-helix	trans	-61.7	-50.6	177.5	-58.1	0	0	0	0	110.5	H329 D330 Q331 L335 Y336 E337	H329-T333 WeakPolarHBondContact O-CB 3.3Å; H329-T333 PolarHBondContact O-N 2.68Å; H329-T333 PolarHBondContact O-OG1 3.49Å; D330-T333 PolarHBondContact O-N 3.45Å; Q331-T333 VanDerWaalsContact C-N 3.29Å; Q331-T333 PolarHBondContact O-N 3.13Å; T333-L335 VanDerWaalsContact C-N 3.32Å; T333-L335 PolarHBondContact O-N 2.88Å; T333-Y336 WeakPolarHBondContact O-CB 3.43Å; T333-Y336 PolarHBondContact O-N 3.25Å; T333-E337 HydrophobicContact CG2-CG 4.37Å; T333-E337 VanDerWaalsContact O-CG 3.28Å; T333-E337 WeakPolarHBondContact O-CG 3.31Å; T333-E337 PolarHBondContact O-N 3.3Å
334	E	91	Very high	87.6	Confident	89 Å²	89	67.2 Å²	67.2	42%	0.416	35%	0.349	S	S	.	.	H	α-helix	trans	-62.1	-39.2	177.1	-178.3	60.2	-140.4	0	0	112.2	K178 D330 Q331 E337 S338 R341	K178-E334 IonicContact NZ-OE1 2.73Å; D330-E334 PolarHBondContact O-N 2.93Å; Q331-E334 PolarHBondContact O-N 2.72Å; E334-E337 PolarHBondContact O-N 2.98Å; E334-S338 VanDerWaalsContact O-CB 3.3Å; E334-S338 WeakPolarHBondContact O-CB 3.37Å; E334-S338 PolarHBondContact O-N 3.32Å; E334-S338 PolarHBondContact O-OG 3.14Å; E334-R341 IonicContact OE1-CZ 2.81Å; E334-R341 IonicContact OE1-NH2 2.74Å; E334-R341 PolarHBondContact OE1-NH2 2.72Å
335	L	92.9	Very high	88.9	Confident	44 Å²	44	63.5 Å²	63.5	23%	0.23	34%	0.339	C	S	.	.	H	α-helix	trans	-63.4	-45.2	176.3	-177.8	60.1	0	0	0	111.6	Q331 E332 T333 S338 L339 P345 F346 N512	Q331-L335 WeakPolarHBondContact O-CB 3.34Å; Q331-L335 PolarHBondContact O-N 3.39Å; E332-L335 PolarHBondContact O-N 2.86Å; T333-L335 VanDerWaalsContact C-N 3.32Å; T333-L335 PolarHBondContact O-N 2.88Å; L335-S338 WeakPolarHBondContact CA-OG 3.32Å; L335-S338 PolarHBondContact O-OG 3.15Å; L335-L339 VanDerWaalsContact O-CG 3.27Å; L335-L339 WeakPolarHBondContact O-CG 3.48Å; L335-L339 PolarHBondContact O-N 2.92Å; L335-L339 VanDerWaalsContact O-N 3.08Å; L335-P345 HydrophobicContact CD1-CG 3.38Å; L335-F346 HydrophobicContact CD1-CE2 3.8Å; L335-F346 HydrophobicContact CD1-CZ 4.21Å; L335-F346 HydrophobicContact CD2-CE2 4.38Å; L335-F346 HydrophobicContact CD2-CZ 4.11Å; L335-F346 HydrophobicContact CG-CE2 4.42Å; L335-N512 VanDerWaalsContact CD2-O 3.27Å; L335-N512 WeakPolarHBondContact CD2-O 3.46Å
336	Y	93.2	Very high	90	Very high	13 Å²	13	61.3 Å²	61.3	5%	0.051	31%	0.312	C	S	.	.	H	α-helix	trans	-59.3	-49.2	174.7	156.9	-111	0	0	0	111.5	E332 T333 L339 C340 P472 V510 A544 A545 P547	E332-Y336 VanDerWaalsContact O-CB 3.25Å; E332-Y336 WeakPolarHBondContact O-CB 3.38Å; E332-Y336 PolarHBondContact O-N 3.26Å; T333-Y336 WeakPolarHBondContact O-CB 3.43Å; T333-Y336 PolarHBondContact O-N 3.25Å; Y336-L339 PolarHBondContact O-N 3.49Å; Y336-C340 WeakPolarHBondContact CE2-SG 3.32Å; Y336-C340 PolarHBondContact O-N 3.28Å; Y336-C340 PolarHBondContact O-SG 3.23Å; Y336-P472 HydrophobicContact CD2-CG 4.49Å; Y336-P472 HydrophobicContact CG-CG 4.36Å; Y336-V510 HydrophobicContact CD2-CG2 3.82Å; Y336-V510 HydrophobicContact CE2-CG2 4.16Å; Y336-A544 HydrophobicContact CD2-CB 3.47Å; Y336-A544 VanDerWaalsContact CD2-CB 3.47Å; Y336-A544 HydrophobicContact CE2-CB 3.38Å; Y336-A545 PolarHBondContact OH-O 2.72Å; Y336-P547 VanDerWaalsContact OH-CD 3.29Å; Y336-P547 WeakPolarHBondContact OH-CD 3.37Å
337	E	95	Very high	90.8	Very high	25 Å²	25	61.6 Å²	61.6	12%	0.117	32%	0.321	C	S	.	.	H	α-helix	trans	-68.6	-38.1	-176.7	-65.9	-169.9	146.4	0	0	112.2	T176 T333 E334 L339 C340 R341	T176-E337 WeakPolarHBondContact CA-OE1 3.37Å; T176-E337 HydrophobicContact CG2-CB 4.2Å; T176-E337 HydrophobicContact CG2-CG 3.99Å; T176-E337 PolarHBondContact N-OE1 3.46Å; T176-E337 PolarHBondContact OG1-OE1 3.37Å; T333-E337 HydrophobicContact CG2-CG 4.37Å; T333-E337 VanDerWaalsContact O-CG 3.28Å; T333-E337 WeakPolarHBondContact O-CG 3.31Å; T333-E337 PolarHBondContact O-N 3.3Å; E334-E337 PolarHBondContact O-N 2.98Å; E337-L339 PolarHBondContact O-N 3.19Å; E337-C340 CarbonylContact O-C 3.42Å; E337-C340 WeakPolarHBondContact O-CA 3.36Å; E337-C340 WeakPolarHBondContact O-CB 3.05Å; E337-C340 PolarHBondContact O-N 3.08Å; E337-R341 VanDerWaalsContact CB-NH1 3.28Å; E337-R341 WeakPolarHBondContact O-CG 3.43Å; E337-R341 PolarHBondContact O-N 3.44Å; E337-R341 IonicContact OE2-NH1 3.22Å
338	S	96.2	Very high	91.2	Very high	13 Å²	13	65 Å²	65	9%	0.091	34%	0.339	C	S	.	.	H	α-helix	trans	-60.7	-44.6	172.8	60.2	0	0	0	0	111.6	E334 L335 C340 R341 N342 E343	E334-S338 VanDerWaalsContact O-CB 3.3Å; E334-S338 WeakPolarHBondContact O-CB 3.37Å; E334-S338 PolarHBondContact O-N 3.32Å; E334-S338 PolarHBondContact O-OG 3.14Å; L335-S338 WeakPolarHBondContact CA-OG 3.32Å; L335-S338 PolarHBondContact O-OG 3.15Å; S338-C340 VanDerWaalsContact C-N 3.27Å; S338-C340 PolarHBondContact O-N 3.47Å; S338-R341 VanDerWaalsContact CA-NH2 3.28Å; S338-R341 CarbonylContact O-C 3.58Å; S338-R341 PolarHBondContact O-N 3.03Å; S338-N342 PolarHBondContact O-N 2.85Å; S338-N342 VanDerWaalsContact O-N 3.14Å; S338-E343 CarbonylContact C-O 3.5Å; S338-E343 WeakPolarHBondContact O-CA 3.37Å; S338-E343 WeakPolarHBondContact O-CB 3.31Å; S338-E343 PolarHBondContact O-N 2.9Å
339	L	96.6	Very high	91.7	Very high	4 Å²	4	61.2 Å²	61.2	2%	0.021	33%	0.327	C	S	.	.	H	α-helix	trans	-60.4	-37.3	171.9	-68.2	175.4	0	0	0	111.9	L335 Y336 E337 R341 N342 N344 F346 V510 R517	L335-L339 VanDerWaalsContact O-CG 3.27Å; L335-L339 WeakPolarHBondContact O-CG 3.48Å; L335-L339 PolarHBondContact O-N 2.92Å; L335-L339 VanDerWaalsContact O-N 3.08Å; Y336-L339 PolarHBondContact O-N 3.49Å; E337-L339 PolarHBondContact O-N 3.19Å; L339-R341 VanDerWaalsContact C-N 3.31Å; L339-R341 PolarHBondContact O-N 3.02Å; L339-N342 PolarHBondContact O-N 3.39Å; L339-N342 VanDerWaalsContact O-N 3.09Å; L339-N344 HydrophobicContact CD2-CB 4.38Å; L339-F346 HydrophobicContact CD1-CE2 4.33Å; L339-F346 HydrophobicContact CD2-CD2 4.29Å; L339-F346 HydrophobicContact CD2-CE2 4.45Å; L339-V510 HydrophobicContact CB-CB 3.88Å; L339-V510 HydrophobicContact CB-CG1 3.85Å; L339-V510 HydrophobicContact CB-CG2 4.19Å; L339-V510 HydrophobicContact CD1-CB 4.25Å; L339-R517 PolarHBondContact O-NH1 3.43Å
340	C	96.6	Very high	92.2	Very high	1 Å²	1	58 Å²	58	1%	0.007	32%	0.317	C	S	.	.	H	α-helix	trans	-65.9	-30.2	174.8	-67.2	0	0	0	0	113.6	T176 Y177 Y336 E337 S338 N342 R517 C546	T176-C340 HydrophobicContact CG2-CB 3.78Å; Y177-C340 HydrophobicContact CE1-CB 4.38Å; Y177-C340 WeakPolarHBondContact CE1-O 3.39Å; Y336-C340 WeakPolarHBondContact CE2-SG 3.32Å; Y336-C340 PolarHBondContact O-N 3.28Å; Y336-C340 PolarHBondContact O-SG 3.23Å; E337-C340 CarbonylContact O-C 3.42Å; E337-C340 WeakPolarHBondContact O-CA 3.36Å; E337-C340 WeakPolarHBondContact O-CB 3.05Å; E337-C340 PolarHBondContact O-N 3.08Å; S338-C340 VanDerWaalsContact C-N 3.27Å; S338-C340 PolarHBondContact O-N 3.47Å; C340-N342 VanDerWaalsContact C-N 3.28Å; C340-R517 VanDerWaalsContact CA-NH1 3.29Å; C340-R517 PolarHBondContact O-NH1 3.18Å; C340-R517 PolarHBondContact O-NH2 3.13Å; C340-C546 WeakPolarHBondContact CA-SG 3.48Å; C340-C546 HydrophobicContact CB-CB 3.77Å; C340-C546 WeakPolarHBondContact CB-SG 3.23Å; C340-C546 WeakPolarHBondContact SG-CA 3.28Å; C340-C546 WeakPolarHBondContact SG-CB 3.44Å; C340-C546 CovalentContact SG-SG 2.04Å; C340-C546 PolarHBondContact SG-SG 3.35Å
341	R	95.3	Very high	92.6	Very high	36 Å²	36	58.9 Å²	58.9	14%	0.136	33%	0.33	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.7	0.4	171.2	-65.4	-177.8	-58.2	-95.9	0.6	114.3	T176 Y177 K178 E334 E337 S338 L339 E343	T176-R341 VanDerWaalsContact O-CD 3.24Å; T176-R341 WeakPolarHBondContact O-CD 3.16Å; T176-R341 WeakPolarHBondContact O-CG 3.48Å; T176-R341 PolarHBondContact O-NH1 3.14Å; Y177-R341 HydrophobicContact CD1-CG 4.27Å; K178-R341 VanDerWaalsContact CE-NH2 3.3Å; E334-R341 IonicContact OE1-CZ 2.81Å; E334-R341 IonicContact OE1-NH2 2.74Å; E334-R341 PolarHBondContact OE1-NH2 2.72Å; E337-R341 VanDerWaalsContact CB-NH1 3.28Å; E337-R341 WeakPolarHBondContact O-CG 3.43Å; E337-R341 PolarHBondContact O-N 3.44Å; E337-R341 IonicContact OE2-NH1 3.22Å; S338-R341 VanDerWaalsContact CA-NH2 3.28Å; S338-R341 CarbonylContact O-C 3.58Å; S338-R341 PolarHBondContact O-N 3.03Å; L339-R341 VanDerWaalsContact C-N 3.31Å; L339-R341 PolarHBondContact O-N 3.02Å; R341-E343 HydrophobicContact CB-CG 3.98Å; R341-E343 WeakPolarHBondContact CD-OE1 3.26Å; R341-E343 IonicContact CZ-OE2 2.81Å; R341-E343 IonicContact NE-OE1 3.71Å; R341-E343 PolarHBondContact NE-OE1 2.81Å; R341-E343 IonicContact NE-OE2 2.87Å; R341-E343 PolarHBondContact NE-OE2 3.39Å; R341-E343 IonicContact NH2-OE2 3.33Å; R341-E343 PolarHBondContact NH2-OE2 2.9Å; R341-E343 PolarHBondContact O-N 3.2Å
342	N	94	Very high	92.8	Very high	112 Å²	112	60.5 Å²	60.5	60%	0.599	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	64.1	23.1	-172.6	-163.7	52.3	0	0	0	113.2	S338 L339 C340 N344	S338-N342 PolarHBondContact O-N 2.85Å; S338-N342 VanDerWaalsContact O-N 3.14Å; L339-N342 PolarHBondContact O-N 3.39Å; L339-N342 VanDerWaalsContact O-N 3.09Å; C340-N342 VanDerWaalsContact C-N 3.28Å; N342-N344 PolarHBondContact O-N 2.58Å
343	E	95.4	Very high	93	Very high	85 Å²	85	64.5 Å²	64.5	40%	0.397	36%	0.355	S	S	.	.			trans	-87.4	82.3	169.3	-64.6	165	-169.5	0	0	107.6	K178 S338 R341 P345	K178-E343 IonicContact NZ-OE2 2.73Å; K178-E343 PolarHBondContact NZ-OE2 2.92Å; S338-E343 CarbonylContact C-O 3.5Å; S338-E343 WeakPolarHBondContact O-CA 3.37Å; S338-E343 WeakPolarHBondContact O-CB 3.31Å; S338-E343 PolarHBondContact O-N 2.9Å; R341-E343 HydrophobicContact CB-CG 3.98Å; R341-E343 WeakPolarHBondContact CD-OE1 3.26Å; R341-E343 IonicContact CZ-OE2 2.81Å; R341-E343 IonicContact NE-OE1 3.71Å; R341-E343 PolarHBondContact NE-OE1 2.81Å; R341-E343 IonicContact NE-OE2 2.87Å; R341-E343 PolarHBondContact NE-OE2 3.39Å; R341-E343 IonicContact NH2-OE2 3.33Å; R341-E343 PolarHBondContact NH2-OE2 2.9Å; R341-E343 PolarHBondContact O-N 3.2Å; E343-P345 VanDerWaalsContact O-CD 3.23Å; E343-P345 WeakPolarHBondContact O-CD 3.38Å
344	N	92.8	Very high	93.4	Very high	67 Å²	67	65.3 Å²	65.3	36%	0.358	36%	0.357	S	S	.	.			trans	-86.4	113	-172.2	-167.8	-10	0	0	0	112	L339 N342 F346 G515	L339-N344 HydrophobicContact CD2-CB 4.38Å; N342-N344 PolarHBondContact O-N 2.58Å; N344-F346 VanDerWaalsContact C-N 3.3Å; N344-F346 WeakPolarHBondContact OD1-CB 3.46Å; N344-F346 WeakPolarHBondContact OD1-CD2 3.3Å; N344-F346 PolarHBondContact OD1-N 3.09Å; N344-G515 PolarHBondContact ND2-O 3.18Å
345	P	92	Very high	93.6	Very high	85 Å²	85	64.2 Å²	64.2	55%	0.552	36%	0.357	S	S	*	.			trans	-82.4	-7.1	178	34.1	-34.4	0	0	0	113.3	L335 E343	L335-P345 HydrophobicContact CD1-CG 3.38Å; E343-P345 VanDerWaalsContact O-CD 3.23Å; E343-P345 WeakPolarHBondContact O-CD 3.38Å
346	F	92.7	Very high	93.9	Very high	51 Å²	51	67 Å²	67	22%	0.224	38%	0.379	C	S	.	.	S	Bend	trans	-85.3	153	-179.2	-63.6	-87	0	0	0	111.9	L335 L339 N344 T348 N512 R513 G515	L335-F346 HydrophobicContact CD1-CE2 3.8Å; L335-F346 HydrophobicContact CD1-CZ 4.21Å; L335-F346 HydrophobicContact CD2-CE2 4.38Å; L335-F346 HydrophobicContact CD2-CZ 4.11Å; L335-F346 HydrophobicContact CG-CE2 4.42Å; L339-F346 HydrophobicContact CD1-CE2 4.33Å; L339-F346 HydrophobicContact CD2-CD2 4.29Å; L339-F346 HydrophobicContact CD2-CE2 4.45Å; N344-F346 VanDerWaalsContact C-N 3.3Å; N344-F346 WeakPolarHBondContact OD1-CB 3.46Å; N344-F346 WeakPolarHBondContact OD1-CD2 3.3Å; N344-F346 PolarHBondContact OD1-N 3.09Å; F346-T348 PolarHBondContact O-N 3.24Å; F346-N512 WeakPolarHBondContact CZ-O 3.46Å; F346-R513 VanDerWaalsContact CE1-C 3.44Å; F346-R513 WeakPolarHBondContact CE1-O 3.28Å; F346-G515 VanDerWaalsContact CD2-N 3.31Å
347	P	90.6	Very high	94	Very high	118 Å²	118	72 Å²	72	77%	0.766	40%	0.398	S	S	*	.	P	Polyproline II helix	trans	-55.5	133.6	171.2	-23.5	33.9	0	0	0	111.2
348	T	89	Confident	94.2	Very high	121 Å²	121	78.9 Å²	78.9	74%	0.742	42%	0.424	S	S	*	.	P	Polyproline II helix	trans	-66.7	138.6	176.3	50.9	0	0	0	0	110.4	F346 P350	F346-T348 PolarHBondContact O-N 3.24Å; T348-P350 WeakPolarHBondContact O-CD 3.3Å
349	V	90.8	Very high	94.2	Very high	41 Å²	41	81.4 Å²	81.4	25%	0.248	43%	0.431	C	S	.	.	P	Polyproline II helix	trans	-64.8	126.1	174.4	-176.8	0	0	0	0	108.5	S351 H353 L354 N376 P377	V349-S351 PolarHBondContact O-N 3.06Å; V349-H353 HydrophobicContact CG1-CB 4.14Å; V349-L354 HydrophobicContact CB-CD1 4.45Å; V349-L354 HydrophobicContact CB-CD2 4Å; V349-L354 HydrophobicContact CB-CG 4.34Å; V349-L354 HydrophobicContact CG1-CD2 3.56Å; V349-L354 HydrophobicContact CG1-CG 3.96Å; V349-N376 WeakPolarHBondContact CG2-OD1 3.49Å; V349-P377 HydrophobicContact CG1-CG 4.06Å
350	P	92.3	Very high	94.2	Very high	59 Å²	59	85 Å²	85	38%	0.383	45%	0.454	S	S	.	.	P	Polyproline II helix	trans	-56.6	133.1	178.7	-25.4	33.9	0	0	0	111.4	T348 H352 H353	T348-P350 WeakPolarHBondContact O-CD 3.3Å; P350-H352 WeakPolarHBondContact CB-CE1 3.41Å; P350-H352 PolarHBondContact O-N 2.82Å; P350-H352 VanDerWaalsContact O-N 3.08Å; P350-H353 WeakPolarHBondContact O-CB 3.19Å; P350-H353 PolarHBondContact O-N 3.42Å
351	S	91.5	Very high	94.1	Very high	101 Å²	101	87 Å²	87	71%	0.706	47%	0.467	S	S	*	.	G	3₁₀ helix	trans	-57.6	-29.9	-173.6	56.1	0	0	0	0	114.1	V349 H353 L354	V349-S351 PolarHBondContact O-N 3.06Å; S351-H353 PolarHBondContact O-N 3.29Å; S351-L354 PolarHBondContact O-N 2.84Å; S351-L354 VanDerWaalsContact O-N 3.14Å
352	H	92.5	Very high	94.2	Very high	143 Å²	143	90.1 Å²	90.1	66%	0.662	48%	0.483	S	S	*	.	G	3₁₀ helix	trans	-73.1	-10.2	176.8	62.1	-86.8	0	0	0	114.1	P350	P350-H352 WeakPolarHBondContact CB-CE1 3.41Å; P350-H352 PolarHBondContact O-N 2.82Å; P350-H352 VanDerWaalsContact O-N 3.08Å
353	H	93.7	Very high	94.3	Very high	97 Å²	97	87.7 Å²	87.7	45%	0.449	48%	0.478	S	S	.	.	G	3₁₀ helix	trans	-92.8	-14.3	169	-63.8	167.9	0	0	0	112.9	V349 P350 S351 P377	V349-H353 HydrophobicContact CG1-CB 4.14Å; P350-H353 WeakPolarHBondContact O-CB 3.19Å; P350-H353 PolarHBondContact O-N 3.42Å; S351-H353 PolarHBondContact O-N 3.29Å; H353-P377 HydrophobicContact CB-CG 4.13Å
354	L	96.2	Very high	94.2	Very high	66 Å²	66	89.4 Å²	89.4	35%	0.346	49%	0.485	S	S	.	.			trans	-91.1	140.7	177.4	-57.3	177.8	0	0	0	109.5	V349 S351 T374	V349-L354 HydrophobicContact CB-CD1 4.45Å; V349-L354 HydrophobicContact CB-CD2 4Å; V349-L354 HydrophobicContact CB-CG 4.34Å; V349-L354 HydrophobicContact CG1-CD2 3.56Å; V349-L354 HydrophobicContact CG1-CG 3.96Å; S351-L354 PolarHBondContact O-N 2.84Å; S351-L354 VanDerWaalsContact O-N 3.14Å; L354-T374 WeakPolarHBondContact CD2-O 3.4Å
355	T	97	Very high	94.4	Very high	66 Å²	66	86.8 Å²	86.8	41%	0.405	47%	0.47	S	S	.	.			trans	-140.2	142.7	-177.3	62.6	0	0	0	0	111.7	E373 T374	T355-E373 WeakPolarHBondContact O-CA 3.48Å; T355-T374 PolarHBondContact O-N 3.23Å; T355-T374 PolarHBondContact OG1-OG1 3.28Å
356	C	97.4	Very high	94.6	Very high	102 Å²	102	90.5 Å²	90.5	69%	0.689	48%	0.478	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-115.5	123.9	165.4	-64.4	0	0	0	0	108.3	E372	C356-E372 CarbonylContact C-O 3.52Å; C356-E372 VanDerWaalsContact CA-O 3.27Å; C356-E372 WeakPolarHBondContact CA-O 3.35Å
357	R	97.1	Very high	94.4	Very high	120 Å²	120	96 Å²	96	45%	0.453	51%	0.508	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.5	159.3	-173.6	66	-177.9	-178.2	174.3	0.3	113.2	Y359 E372	R357-Y359 PolarHBondContact O-N 3.49Å; R357-E372 HydrophobicContact CG-CB 4.25Å; R357-E372 IonicContact CZ-OE1 2.66Å; R357-E372 PolarHBondContact N-O 2.88Å; R357-E372 IonicContact NE-OE1 2.94Å; R357-E372 PolarHBondContact NE-OE1 2.8Å; R357-E372 IonicContact NH2-OE1 3.78Å; R357-E372 PolarHBondContact NH2-OE1 3.13Å; R357-E372 PolarHBondContact O-N 3.4Å
358	Y	97.9	Very high	94.6	Very high	169 Å²	169	92.8 Å²	92.8	66%	0.663	50%	0.496	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-84.1	104.4	165.2	-73.7	-67.2	0	0	0	109.4	P369 V370 K371	Y358-P369 HydrophobicContact CD1-CB 3.98Å; Y358-P369 HydrophobicContact CG-CB 4.23Å; Y358-V370 CarbonylContact C-O 3.6Å; Y358-V370 WeakPolarHBondContact CA-O 3.46Å; Y358-K371 HydrophobicContact CD1-CG 4.25Å; Y358-K371 HydrophobicContact CE1-CG 3.8Å
359	Y	96.9	Very high	95	Very high	65 Å²	65	89.2 Å²	89.2	26%	0.255	48%	0.475	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94	130.6	-176.3	178.9	-127.9	0	0	0	111.1	R357 P361 V370 E372 W384	R357-Y359 PolarHBondContact O-N 3.49Å; Y359-P361 VanDerWaalsContact C-CD 3.48Å; Y359-P361 HydrophobicContact CD1-CB 4.32Å; Y359-P361 HydrophobicContact CD1-CG 3.83Å; Y359-P361 HydrophobicContact CE1-CB 3.56Å; Y359-P361 HydrophobicContact CE1-CG 3.48Å; Y359-P361 VanDerWaalsContact CE1-CG 3.48Å; Y359-P361 HydrophobicContact CE2-CB 4.29Å; Y359-P361 WeakPolarHBondContact O-CD 3.43Å; Y359-V370 PolarHBondContact N-O 3.41Å; Y359-V370 PolarHBondContact O-N 3.21Å; Y359-E372 WeakPolarHBondContact CD1-OE2 3.44Å; Y359-W384 HydrophobicContact CE1-CZ2 4.32Å
360	T	97	Very high	95.3	Very high	81 Å²	81	87.6 Å²	87.6	50%	0.497	47%	0.465	S	S	.	.			trans	-124.2	70.6	-176.4	48.6	0	0	0	0	111.7	H362 F365 P369	T360-H362 VanDerWaalsContact C-N 3.29Å; T360-H362 PolarHBondContact O-N 3.39Å; T360-F365 WeakPolarHBondContact CG2-O 3.42Å; T360-P369 HydrophobicContact CG2-CB 3.59Å; T360-P369 HydrophobicContact CG2-CG 3.69Å
361	P	94.7	Very high	95.6	Very high	43 Å²	43	89.3 Å²	89.3	28%	0.279	47%	0.466	S	S	.	.			trans	-69.8	-23.4	-174.5	22.7	-29.5	0	0	0	114.4	Y359 F365 V448	Y359-P361 VanDerWaalsContact C-CD 3.48Å; Y359-P361 HydrophobicContact CD1-CB 4.32Å; Y359-P361 HydrophobicContact CD1-CG 3.83Å; Y359-P361 HydrophobicContact CE1-CB 3.56Å; Y359-P361 HydrophobicContact CE1-CG 3.48Å; Y359-P361 VanDerWaalsContact CE1-CG 3.48Å; Y359-P361 HydrophobicContact CE2-CB 4.29Å; Y359-P361 WeakPolarHBondContact O-CD 3.43Å; P361-F365 HydrophobicContact CG-CD2 3.8Å; P361-F365 HydrophobicContact CG-CE2 4.17Å; P361-V448 HydrophobicContact CG-CG2 4.27Å
362	H	96.4	Very high	96	Very high	101 Å²	101	84.6 Å²	84.6	47%	0.468	43%	0.433	S	S	.	.	S	Bend	trans	-146.3	157.8	-170.6	-174.1	-100.8	0	0	0	110.9	T360 F364 F365 A447	T360-H362 VanDerWaalsContact C-N 3.29Å; T360-H362 PolarHBondContact O-N 3.39Å; H362-F364 VanDerWaalsContact ND1-CB 3.32Å; H362-F364 WeakPolarHBondContact ND1-CB 3.28Å; H362-F364 PolarHBondContact ND1-N 3.36Å; H362-F364 VanDerWaalsContact ND1-N 3.17Å; H362-F364 PolarHBondContact O-N 3.32Å; H362-F364 VanDerWaalsContact O-N 3.08Å; H362-F365 HydrophobicContact CB-CD2 4.31Å; H362-F365 PolarHBondContact O-N 2.99Å; H362-A447 HydrophobicContact CB-CB 4.01Å; H362-A447 VanDerWaalsContact CB-O 3.25Å; H362-A447 WeakPolarHBondContact CB-O 3.49Å
363	A	96.2	Very high	96.2	Very high	61 Å²	61	80.5 Å²	80.5	50%	0.504	41%	0.414	S	S	.	.	G	3₁₀ helix	trans	-55.7	-29.6	179.5	0	0	0	0	0	113.2	F365 K366	A363-F365 PolarHBondContact O-N 3.41Å; A363-K366 WeakPolarHBondContact O-CB 3.48Å; A363-K366 WeakPolarHBondContact O-CG 3.49Å; A363-K366 PolarHBondContact O-N 2.91Å
364	F	93.8	Very high	96.5	Very high	121 Å²	121	76.5 Å²	76.5	53%	0.531	40%	0.397	S	S	.	.	G	3₁₀ helix	trans	-55.3	-35.3	174.1	-177.9	-96.4	0	0	0	112.9	H362 R444 A447	H362-F364 VanDerWaalsContact ND1-CB 3.32Å; H362-F364 WeakPolarHBondContact ND1-CB 3.28Å; H362-F364 PolarHBondContact ND1-N 3.36Å; H362-F364 VanDerWaalsContact ND1-N 3.17Å; H362-F364 PolarHBondContact O-N 3.32Å; H362-F364 VanDerWaalsContact O-N 3.08Å; F364-R444 HydrophobicContact CE1-CG 4.27Å; F364-A447 HydrophobicContact CB-CB 4.34Å
365	F	97	Very high	96.5	Very high	12 Å²	12	75.1 Å²	75.1	5%	0.053	39%	0.389	C	S	.	.	G	3₁₀ helix	trans	-95.4	13.8	-177.2	-62.6	-69.6	0	0	0	113.8	T360 P361 H362 A363 I367 G368 P369 V370 L387 R444 A447 V448	T360-F365 WeakPolarHBondContact CG2-O 3.42Å; P361-F365 HydrophobicContact CG-CD2 3.8Å; P361-F365 HydrophobicContact CG-CE2 4.17Å; H362-F365 HydrophobicContact CB-CD2 4.31Å; H362-F365 PolarHBondContact O-N 2.99Å; A363-F365 PolarHBondContact O-N 3.41Å; F365-I367 VanDerWaalsContact C-N 3.33Å; F365-G368 CarbonylContact O-C 3.49Å; F365-P369 WeakPolarHBondContact O-CA 3.47Å; F365-V370 HydrophobicContact CB-CG2 4.42Å; F365-V370 HydrophobicContact CD1-CG2 3.42Å; F365-V370 VanDerWaalsContact CD1-CG2 3.42Å; F365-V370 HydrophobicContact CD2-CG2 3.97Å; F365-V370 HydrophobicContact CE1-CG2 3.46Å; F365-V370 VanDerWaalsContact CE1-CG2 3.46Å; F365-V370 HydrophobicContact CE2-CG2 4Å; F365-V370 HydrophobicContact CG-CG2 3.68Å; F365-V370 HydrophobicContact CZ-CG2 3.75Å; F365-L387 HydrophobicContact CE1-CD1 4.43Å; F365-L387 HydrophobicContact CZ-CD1 4.28Å; F365-R444 HydrophobicContact CE1-CG 4.35Å; F365-R444 HydrophobicContact CZ-CG 3.85Å; F365-A447 HydrophobicContact CD2-CB 4.48Å; F365-A447 HydrophobicContact CE2-CB 3.76Å; F365-A447 HydrophobicContact CZ-CB 4.48Å; F365-V448 HydrophobicContact CE2-CB 3.8Å; F365-V448 HydrophobicContact CE2-CG2 4.4Å; F365-V448 HydrophobicContact CZ-CB 3.94Å; F365-V448 HydrophobicContact CZ-CG2 4.49Å
366	K	94.9	Very high	96.5	Very high	163 Å²	163	72.5 Å²	72.5	71%	0.709	37%	0.373	S	S	*	.	G	3₁₀ helix	trans	-65.4	-38.7	173.7	-75.2	-179.7	177.3	-176.5	0	111.9	A363	A363-K366 WeakPolarHBondContact O-CB 3.48Å; A363-K366 WeakPolarHBondContact O-CG 3.49Å; A363-K366 PolarHBondContact O-N 2.91Å
367	I	90.2	Very high	96.4	Very high	166 Å²	166	70.3 Å²	70.3	85%	0.851	36%	0.357	S	S	*	.	S	Bend	trans	-105.9	98.6	173.2	-56.6	175.6	0	0	0	105.7	F365	F365-I367 VanDerWaalsContact C-N 3.33Å
368	G	93.4	Very high	96.2	Very high	50 Å²	50	69.6 Å²	69.6	52%	0.515	36%	0.363	S	S	.	.	S	Bend	trans	92.2	72.2	-171.6	0	0	0	0	0	113.3	F365	F365-G368 CarbonylContact O-C 3.49Å
369	P	97.8	Very high	96	Very high	47 Å²	47	61.8 Å²	61.8	31%	0.305	33%	0.333	S	S	.	.			trans	-58.3	151.6	171.4	-25.1	36.1	0	0	0	113	Y358 T360 F365	Y358-P369 HydrophobicContact CD1-CB 3.98Å; Y358-P369 HydrophobicContact CG-CB 4.23Å; T360-P369 HydrophobicContact CG2-CB 3.59Å; T360-P369 HydrophobicContact CG2-CG 3.69Å; F365-P369 WeakPolarHBondContact O-CA 3.47Å
370	V	98.3	Very high	96	Very high	7 Å²	7	61.9 Å²	61.9	4%	0.042	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.6	131.8	175.4	-177.3	0	0	0	0	109.6	Y358 Y359 F365 E372 W384 L387 V448	Y358-V370 CarbonylContact C-O 3.6Å; Y358-V370 WeakPolarHBondContact CA-O 3.46Å; Y359-V370 PolarHBondContact N-O 3.41Å; Y359-V370 PolarHBondContact O-N 3.21Å; F365-V370 HydrophobicContact CB-CG2 4.42Å; F365-V370 HydrophobicContact CD1-CG2 3.42Å; F365-V370 VanDerWaalsContact CD1-CG2 3.42Å; F365-V370 HydrophobicContact CD2-CG2 3.97Å; F365-V370 HydrophobicContact CE1-CG2 3.46Å; F365-V370 VanDerWaalsContact CE1-CG2 3.46Å; F365-V370 HydrophobicContact CE2-CG2 4Å; F365-V370 HydrophobicContact CG-CG2 3.68Å; F365-V370 HydrophobicContact CZ-CG2 3.75Å; V370-E372 PolarHBondContact O-N 3.39Å; V370-W384 HydrophobicContact CG1-CB 3.74Å; V370-W384 VanDerWaalsContact CG1-CD1 3.5Å; V370-W384 HydrophobicContact CG1-CD2 4.44Å; V370-W384 HydrophobicContact CG1-CG 3.62Å; V370-L387 HydrophobicContact CG1-CD1 4.46Å; V370-L387 HydrophobicContact CG2-CD1 4.46Å; V370-V448 HydrophobicContact CG1-CG2 4.19Å; V370-V448 HydrophobicContact CG2-CG2 3.88Å
371	K	98.5	Very high	96	Very high	94 Å²	94	58.1 Å²	58.1	41%	0.409	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	99.3	173.1	-65.9	174.1	-172.6	172	0	108.6	Y358 W384 Y385 D386	Y358-K371 HydrophobicContact CD1-CG 4.25Å; Y358-K371 HydrophobicContact CE1-CG 3.8Å; K371-W384 CarbonylContact O-C 3.59Å; K371-W384 WeakPolarHBondContact O-CA 3.42Å; K371-Y385 PolarHBondContact O-N 3.31Å; K371-D386 IonicContact NZ-OD2 3.01Å; K371-D386 PolarHBondContact NZ-OD2 2.96Å
372	E	98.5	Very high	96.2	Very high	3 Å²	3	56 Å²	56	1%	0.014	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	133.5	-177.6	-179.8	173.3	92.7	0	0	111.5	C356 R357 Y359 V370 R380 V382 M383 W384	C356-E372 CarbonylContact C-O 3.52Å; C356-E372 VanDerWaalsContact CA-O 3.27Å; C356-E372 WeakPolarHBondContact CA-O 3.35Å; R357-E372 HydrophobicContact CG-CB 4.25Å; R357-E372 IonicContact CZ-OE1 2.66Å; R357-E372 PolarHBondContact N-O 2.88Å; R357-E372 IonicContact NE-OE1 2.94Å; R357-E372 PolarHBondContact NE-OE1 2.8Å; R357-E372 IonicContact NH2-OE1 3.78Å; R357-E372 PolarHBondContact NH2-OE1 3.13Å; R357-E372 PolarHBondContact O-N 3.4Å; Y359-E372 WeakPolarHBondContact CD1-OE2 3.44Å; V370-E372 PolarHBondContact O-N 3.39Å; E372-R380 VanDerWaalsContact CD-NH2 3.32Å; E372-R380 IonicContact OE1-NH2 3.99Å; E372-R380 IonicContact OE2-CZ 3.76Å; E372-R380 IonicContact OE2-NH2 2.68Å; E372-R380 PolarHBondContact OE2-NH2 3.43Å; E372-V382 HydrophobicContact CG-CB 4.22Å; E372-V382 HydrophobicContact CG-CG1 4.34Å; E372-M383 WeakPolarHBondContact CA-O 3.33Å; E372-W384 PolarHBondContact OE2-NE1 3.11Å
373	E	98.4	Very high	96.3	Very high	56 Å²	56	51.4 Å²	51.4	26%	0.262	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	128.2	166.2	175.2	176.6	-162	0	0	109.4	T355 L375 V382 M383 Y385	T355-E373 WeakPolarHBondContact O-CA 3.48Å; E373-L375 HydrophobicContact CG-CD2 3.95Å; E373-V382 CarbonylContact O-C 3.57Å; E373-V382 VanDerWaalsContact O-CA 3.27Å; E373-V382 WeakPolarHBondContact O-CA 3.41Å; E373-V382 WeakPolarHBondContact O-CB 3.48Å; E373-M383 PolarHBondContact N-O 3.12Å; E373-M383 PolarHBondContact O-N 2.77Å; E373-Y385 HydrophobicContact CB-CE2 3.74Å; E373-Y385 WeakPolarHBondContact OE2-CE2 3.19Å; E373-Y385 VanDerWaalsContact OE2-CZ 3.22Å; E373-Y385 PolarHBondContact OE2-OH 3.32Å
374	T	98	Very high	96.4	Very high	14 Å²	14	48.6 Å²	48.6	9%	0.086	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	114.6	172.8	-56.1	0	0	0	0	109.1	L354 T355	L354-T374 WeakPolarHBondContact CD2-O 3.4Å; T355-T374 PolarHBondContact O-N 3.23Å; T355-T374 PolarHBondContact OG1-OG1 3.28Å
375	L	96.6	Very high	96.7	Very high	36 Å²	36	45.4 Å²	45.4	19%	0.188	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89	-32.5	176.7	-61.5	-177.5	0	0	0	111.9	E373 I381 M383 T516 V518	E373-L375 HydrophobicContact CG-CD2 3.95Å; L375-I381 HydrophobicContact CB-CG2 4.44Å; L375-I381 PolarHBondContact N-O 3.22Å; L375-M383 HydrophobicContact CD1-CB 4.47Å; L375-M383 HydrophobicContact CD1-CG 3.51Å; L375-M383 HydrophobicContact CG-CG 4.15Å; L375-T516 HydrophobicContact CB-CG2 4.02Å; L375-V518 HydrophobicContact CD1-CB 4.18Å; L375-V518 HydrophobicContact CD1-CG1 4.02Å; L375-V518 HydrophobicContact CD1-CG2 3.75Å
376	N	97	Very high	96.7	Very high	11 Å²	11	49 Å²	49	6%	0.059	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.7	130.4	172	-168.2	64.1	0	0	0	110	V349 D378 P379 R380 I381 T516	V349-N376 WeakPolarHBondContact CG2-OD1 3.49Å; N376-D378 PolarHBondContact ND2-O 2.95Å; N376-P379 WeakPolarHBondContact ND2-CD 3.27Å; N376-P379 PolarHBondContact ND2-O 3.04Å; N376-R380 WeakPolarHBondContact O-CA 3.46Å; N376-I381 HydrophobicContact CB-CB 4.05Å; N376-I381 HydrophobicContact CB-CD1 4.15Å; N376-I381 HydrophobicContact CB-CG1 4.33Å; N376-I381 PolarHBondContact N-O 3.46Å; N376-I381 VanDerWaalsContact N-O 3.11Å; N376-I381 PolarHBondContact O-N 3.03Å; N376-T516 HydrophobicContact CB-CG2 4.04Å; N376-T516 WeakPolarHBondContact CB-OG1 3.48Å
377	P	95.4	Very high	96.8	Very high	56 Å²	56	41.5 Å²	41.5	36%	0.364	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.6	-39	-177.3	29.1	-35.8	0	0	0	113	V349 H353 R380	V349-P377 HydrophobicContact CG1-CG 4.06Å; H353-P377 HydrophobicContact CB-CG 4.13Å; P377-R380 WeakPolarHBondContact O-CA 3.42Å; P377-R380 PolarHBondContact O-N 3.48Å
378	D	93	Very high	97.2	Very high	105 Å²	105	33.7 Å²	33.7	56%	0.561	18%	0.183	S	C	*	.	T	Hydrogen-bonded Turn	trans	-143.9	114.7	179.1	178.2	35.6	0	0	0	111.3	N376 R540	N376-D378 PolarHBondContact ND2-O 2.95Å; D378-R540 VanDerWaalsContact CG-NH1 3.29Å; D378-R540 IonicContact OD1-CZ 3.84Å; D378-R540 IonicContact OD1-NH1 3.55Å; D378-R540 PolarHBondContact OD1-NH1 2.9Å; D378-R540 IonicContact OD1-NH2 2.69Å; D378-R540 PolarHBondContact OD1-NH2 2.86Å; D378-R540 IonicContact OD2-CZ 2.69Å; D378-R540 IonicContact OD2-NH1 3.39Å; D378-R540 PolarHBondContact OD2-NH1 2.84Å; D378-R540 IonicContact OD2-NH2 3.49Å
379	P	94.8	Very high	97.3	Very high	6 Å²	6	36.5 Å²	36.5	4%	0.039	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn	cis	-62.2	149.2	-6.9	29.1	-35.8	0	0	0	111.3	N376 I381 I514 R540 T541	N376-P379 WeakPolarHBondContact ND2-CD 3.27Å; N376-P379 PolarHBondContact ND2-O 3.04Å; P379-I381 HydrophobicContact CG-CD1 4.48Å; P379-I381 PolarHBondContact O-N 3.36Å; P379-I514 HydrophobicContact CG-CD1 3.86Å; P379-R540 HydrophobicContact CG-CB 4Å; P379-T541 HydrophobicContact CB-CG2 4.5Å; P379-T541 HydrophobicContact CG-CG2 4.44Å
380	R	95.7	Very high	97.2	Very high	67 Å²	67	38.5 Å²	38.5	25%	0.253	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.8	109	-179.6	-178.3	177.9	-179.2	-90.1	3.4	110.6	E372 N376 P377 V382 W528	E372-R380 VanDerWaalsContact CD-NH2 3.32Å; E372-R380 IonicContact OE1-NH2 3.99Å; E372-R380 IonicContact OE2-CZ 3.76Å; E372-R380 IonicContact OE2-NH2 2.68Å; E372-R380 PolarHBondContact OE2-NH2 3.43Å; N376-R380 WeakPolarHBondContact O-CA 3.46Å; P377-R380 WeakPolarHBondContact O-CA 3.42Å; P377-R380 PolarHBondContact O-N 3.48Å; R380-V382 HydrophobicContact CG-CG1 3.89Å; R380-W528 WeakPolarHBondContact O-CA 3.44Å
381	I	98.4	Very high	97.1	Very high	1 Å²	1	42.5 Å²	42.5	1%	0.005	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	117.9	172	-58.3	168.3	0	0	0	107.5	L375 N376 P379 F511 I514 T516 V518 W528	L375-I381 HydrophobicContact CB-CG2 4.44Å; L375-I381 PolarHBondContact N-O 3.22Å; N376-I381 HydrophobicContact CB-CB 4.05Å; N376-I381 HydrophobicContact CB-CD1 4.15Å; N376-I381 HydrophobicContact CB-CG1 4.33Å; N376-I381 PolarHBondContact N-O 3.46Å; N376-I381 VanDerWaalsContact N-O 3.11Å; N376-I381 PolarHBondContact O-N 3.03Å; P379-I381 HydrophobicContact CG-CD1 4.48Å; P379-I381 PolarHBondContact O-N 3.36Å; I381-F511 HydrophobicContact CD1-CD1 3.8Å; I381-F511 HydrophobicContact CD1-CD2 3.84Å; I381-F511 HydrophobicContact CD1-CE1 3.8Å; I381-F511 HydrophobicContact CD1-CE2 3.84Å; I381-F511 HydrophobicContact CD1-CG 3.82Å; I381-F511 HydrophobicContact CD1-CZ 3.83Å; I381-F511 HydrophobicContact CG1-CE1 4.47Å; I381-F511 HydrophobicContact CG1-CZ 4.31Å; I381-F511 HydrophobicContact CG2-CE2 4.14Å; I381-F511 HydrophobicContact CG2-CZ 4.36Å; I381-I514 HydrophobicContact CD1-CD1 3.58Å; I381-T516 HydrophobicContact CB-CG2 4.41Å; I381-T516 HydrophobicContact CD1-CG2 3.93Å; I381-T516 HydrophobicContact CG2-CG2 4.2Å; I381-V518 HydrophobicContact CG2-CG2 4.11Å; I381-W528 HydrophobicContact CG1-CB 3.95Å
382	V	98.4	Very high	97.1	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	152.6	-177.6	-59.8	0	0	0	0	111.8	E372 E373 R380 W384 G526 F527	E372-V382 HydrophobicContact CG-CB 4.22Å; E372-V382 HydrophobicContact CG-CG1 4.34Å; E373-V382 CarbonylContact O-C 3.57Å; E373-V382 VanDerWaalsContact O-CA 3.27Å; E373-V382 WeakPolarHBondContact O-CA 3.41Å; E373-V382 WeakPolarHBondContact O-CB 3.48Å; R380-V382 HydrophobicContact CG-CG1 3.89Å; V382-W384 HydrophobicContact CG2-CD2 4.47Å; V382-W384 HydrophobicContact CG2-CZ2 4.02Å; V382-G526 WeakPolarHBondContact O-CA 3.44Å; V382-F527 HydrophobicContact CG2-CB 4.03Å; V382-F527 HydrophobicContact CG2-CD1 4.3Å; V382-F527 PolarHBondContact N-O 3.41Å; V382-F527 PolarHBondContact O-N 3.39Å
383	M	98.6	Very high	97.1	Very high	3 Å²	3	38.1 Å²	38.1	2%	0.015	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	130.6	166.2	-79.1	-67.7	-77.5	0	0	109.9	E372 E373 L375 Y385 Y499 V518 A524 A525 G526	E372-M383 WeakPolarHBondContact CA-O 3.33Å; E373-M383 PolarHBondContact N-O 3.12Å; E373-M383 PolarHBondContact O-N 2.77Å; L375-M383 HydrophobicContact CD1-CB 4.47Å; L375-M383 HydrophobicContact CD1-CG 3.51Å; L375-M383 HydrophobicContact CG-CG 4.15Å; M383-Y385 HydrophobicContact CB-CE2 4.24Å; M383-Y385 HydrophobicContact CE-CE1 4.37Å; M383-Y499 HydrophobicContact CE-CD2 4.01Å; M383-Y499 HydrophobicContact CE-CE2 3.82Å; M383-Y499 HydrophobicContact SD-CE2 3.96Å; M383-V518 HydrophobicContact CE-CG1 4.26Å; M383-V518 HydrophobicContact CG-CG1 3.92Å; M383-V518 HydrophobicContact SD-CG1 3.39Å; M383-V518 WeakPolarHBondContact SD-CG1 3.4Å; M383-A524 HydrophobicContact CE-CB 3.52Å; M383-A525 WeakPolarHBondContact CA-O 3.31Å; M383-G526 VanDerWaalsContact SD-CA 3.56Å
384	W	98.6	Very high	96.9	Very high	2 Å²	2	38 Å²	38	1%	0.008	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	116	171.1	-65.7	-37.4	0	0	0	109.6	Y359 V370 K371 E372 V382 L387 V448 T449 I496 A524 A525 F527	Y359-W384 HydrophobicContact CE1-CZ2 4.32Å; V370-W384 HydrophobicContact CG1-CB 3.74Å; V370-W384 VanDerWaalsContact CG1-CD1 3.5Å; V370-W384 HydrophobicContact CG1-CD2 4.44Å; V370-W384 HydrophobicContact CG1-CG 3.62Å; K371-W384 CarbonylContact O-C 3.59Å; K371-W384 WeakPolarHBondContact O-CA 3.42Å; E372-W384 PolarHBondContact OE2-NE1 3.11Å; V382-W384 HydrophobicContact CG2-CD2 4.47Å; V382-W384 HydrophobicContact CG2-CZ2 4.02Å; W384-L387 HydrophobicContact CB-CB 4.42Å; W384-L387 HydrophobicContact CB-CD2 4.13Å; W384-L387 HydrophobicContact CE3-CD2 3.85Å; W384-V448 HydrophobicContact CD2-CG2 3.71Å; W384-V448 HydrophobicContact CE3-CG1 3.93Å; W384-V448 HydrophobicContact CE3-CG2 3.72Å; W384-V448 HydrophobicContact CG-CG2 4.39Å; W384-V448 HydrophobicContact CH2-CG1 4.13Å; W384-V448 HydrophobicContact CH2-CG2 3.87Å; W384-V448 HydrophobicContact CZ2-CG2 3.86Å; W384-V448 HydrophobicContact CZ3-CB 4.33Å; W384-V448 HydrophobicContact CZ3-CG1 3.59Å; W384-V448 HydrophobicContact CZ3-CG2 3.8Å; W384-T449 HydrophobicContact CH2-CG2 3.89Å; W384-T449 HydrophobicContact CZ3-CG2 3.87Å; W384-I496 HydrophobicContact CE3-CD1 4.16Å; W384-I496 HydrophobicContact CZ3-CD1 3.86Å; W384-A524 CarbonylContact O-C 3.58Å; W384-A524 WeakPolarHBondContact O-CA 3.24Å; W384-A525 PolarHBondContact N-O 3.44Å; W384-A525 PolarHBondContact O-N 3.1Å; W384-F527 HydrophobicContact CE3-CB 4.11Å; W384-F527 HydrophobicContact CH2-CB 3.77Å; W384-F527 AromaticContact CH2-CD1 3.82Å; W384-F527 HydrophobicContact CH2-CD1 3.82Å; W384-F527 HydrophobicContact CH2-CD2 4.1Å; W384-F527 HydrophobicContact CH2-CE1 4.44Å; W384-F527 AromaticContact CH2-CG 3.61Å; W384-F527 HydrophobicContact CH2-CG 3.61Å; W384-F527 HydrophobicContact CZ2-CB 4.39Å; W384-F527 HydrophobicContact CZ2-CD1 4.3Å; W384-F527 HydrophobicContact CZ2-CG 4.4Å; W384-F527 HydrophobicContact CZ3-CB 3.61Å; W384-F527 HydrophobicContact CZ3-CD1 4.48Å; W384-F527 HydrophobicContact CZ3-CD2 4.12Å; W384-F527 AromaticContact CZ3-CG 3.82Å; W384-F527 HydrophobicContact CZ3-CG 3.82Å
385	Y	98.4	Very high	96.9	Very high	55 Å²	55	40.7 Å²	40.7	22%	0.216	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88	147.6	-178.8	-63.3	-74.1	0	0	0	112.3	K371 E373 M383 L387 K521 A524	K371-Y385 PolarHBondContact O-N 3.31Å; E373-Y385 HydrophobicContact CB-CE2 3.74Å; E373-Y385 WeakPolarHBondContact OE2-CE2 3.19Å; E373-Y385 VanDerWaalsContact OE2-CZ 3.22Å; E373-Y385 PolarHBondContact OE2-OH 3.32Å; M383-Y385 HydrophobicContact CB-CE2 4.24Å; M383-Y385 HydrophobicContact CE-CE1 4.37Å; Y385-L387 PolarHBondContact O-N 3.13Å; Y385-K521 HydrophobicContact CD1-CD 3.71Å; Y385-K521 HydrophobicContact CE1-CD 3.51Å; Y385-A524 HydrophobicContact CD1-CB 3.81Å; Y385-A524 HydrophobicContact CE1-CB 4.22Å
386	D	96.9	Very high	96.9	Very high	86 Å²	86	39 Å²	39	46%	0.46	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	56.4	33.9	177.9	-47.2	-35.6	0	0	0	113.3	K371 G523	K371-D386 IonicContact NZ-OD2 3.01Å; K371-D386 PolarHBondContact NZ-OD2 2.96Å; D386-G523 CarbonylContact C-O 3.47Å; D386-G523 PolarHBondContact N-O 2.95Å
387	L	97.7	Very high	96.9	Very high	6 Å²	6	39.2 Å²	39.2	3%	0.031	21%	0.205	C	C	.	.			trans	-82.1	-20.7	-177.9	-168	68.6	0	0	0	112.4	F365 V370 W384 Y385 R444 V448 I496 F498 G523 A525	F365-L387 HydrophobicContact CE1-CD1 4.43Å; F365-L387 HydrophobicContact CZ-CD1 4.28Å; V370-L387 HydrophobicContact CG1-CD1 4.46Å; V370-L387 HydrophobicContact CG2-CD1 4.46Å; W384-L387 HydrophobicContact CB-CB 4.42Å; W384-L387 HydrophobicContact CB-CD2 4.13Å; W384-L387 HydrophobicContact CE3-CD2 3.85Å; Y385-L387 PolarHBondContact O-N 3.13Å; L387-R444 HydrophobicContact CD1-CG 4.17Å; L387-R444 WeakPolarHBondContact O-CD 3.5Å; L387-R444 PolarHBondContact O-NH1 2.87Å; L387-V448 HydrophobicContact CD1-CB 4.33Å; L387-V448 HydrophobicContact CD1-CG1 4.38Å; L387-V448 HydrophobicContact CD1-CG2 4.25Å; L387-V448 HydrophobicContact CD2-CG1 4.07Å; L387-I496 HydrophobicContact CD2-CD1 4.34Å; L387-F498 HydrophobicContact CB-CE1 4.18Å; L387-F498 HydrophobicContact CD2-CE1 3.65Å; L387-F498 HydrophobicContact CD2-CZ 3.77Å; L387-F498 HydrophobicContact CG-CE1 3.92Å; L387-F498 HydrophobicContact CG-CZ 4.36Å; L387-G523 PolarHBondContact N-O 3.29Å; L387-A525 HydrophobicContact CD2-CB 3.7Å
388	I	98	Very high	96.8	Very high	3 Å²	3	42.1 Å²	42.1	2%	0.015	21%	0.214	C	C	.	.	S	Bend	trans	-128.5	136.9	172.9	-170.3	175.8	0	0	0	110.2	E392 I393 I441 F498 L500 G523 M556	I388-E392 HydrophobicContact CD1-CB 4.24Å; I388-E392 HydrophobicContact CG1-CB 3.79Å; I388-E392 WeakPolarHBondContact CG1-OE2 3.47Å; I388-I393 HydrophobicContact CD1-CG1 4.11Å; I388-I393 HydrophobicContact CG1-CG1 4.11Å; I388-I393 HydrophobicContact CG2-CD1 4.09Å; I388-I393 HydrophobicContact CG2-CG1 3.95Å; I388-I441 HydrophobicContact CD1-CD1 3.65Å; I388-I441 HydrophobicContact CD1-CG1 4.17Å; I388-I441 HydrophobicContact CG1-CD1 4.3Å; I388-I441 HydrophobicContact CG1-CG1 4.4Å; I388-F498 HydrophobicContact CB-CD1 3.91Å; I388-F498 HydrophobicContact CB-CE1 4.1Å; I388-F498 HydrophobicContact CG2-CD1 3.72Å; I388-F498 HydrophobicContact CG2-CE1 4.38Å; I388-L500 HydrophobicContact CD1-CD2 3.9Å; I388-L500 HydrophobicContact CG2-CD2 4.43Å; I388-G523 PolarHBondContact N-O 3.41Å; I388-M556 HydrophobicContact CD1-CE 4.34Å
389	F	96.5	Very high	96.9	Very high	108 Å²	108	38.4 Å²	38.4	47%	0.474	19%	0.194	S	C	.	.			trans	-85.7	152.6	-174.1	-58.1	-59	0	0	0	112.3	S391 E392 I393	F389-S391 VanDerWaalsContact C-N 3.3Å; F389-S391 PolarHBondContact O-N 2.83Å; F389-E392 HydrophobicContact CB-CG 4.15Å; F389-E392 HydrophobicContact CD2-CG 4.38Å; F389-E392 VanDerWaalsContact CD2-OE2 3.26Å; F389-E392 WeakPolarHBondContact CD2-OE2 3.43Å; F389-E392 PolarHBondContact N-OE2 3.29Å; F389-E392 WeakPolarHBondContact O-CB 3.3Å; F389-E392 PolarHBondContact O-N 3.26Å; F389-I393 WeakPolarHBondContact O-CG1 3.49Å; F389-I393 PolarHBondContact O-N 2.91Å
390	P	96.3	Very high	97	Very high	90 Å²	90	38.1 Å²	38.1	58%	0.584	19%	0.192	S	C	*	.	H	α-helix	trans	-52.9	-41.5	178.1	-29.1	36	0	0	0	114.4	E392 I393 E394	P390-E392 VanDerWaalsContact C-N 3.32Å; P390-E392 PolarHBondContact O-N 3.22Å; P390-I393 WeakPolarHBondContact O-CB 3.42Å; P390-I393 PolarHBondContact O-N 3.39Å; P390-E394 WeakPolarHBondContact O-CG 3.41Å; P390-E394 PolarHBondContact O-N 3.35Å; P390-E394 VanDerWaalsContact O-N 3.09Å
391	S	96.4	Very high	96.7	Very high	91 Å²	91	38.7 Å²	38.7	64%	0.636	20%	0.203	S	C	*	.	H	α-helix	trans	-64.4	-35.7	177.5	51.2	0	0	0	0	113.2	F389 K395	F389-S391 VanDerWaalsContact C-N 3.3Å; F389-S391 PolarHBondContact O-N 2.83Å; S391-K395 PolarHBondContact O-N 3.05Å
392	E	98.3	Very high	96.2	Very high	4 Å²	4	42.5 Å²	42.5	2%	0.019	23%	0.228	C	C	.	.	H	α-helix	trans	-70.4	-41.4	176.1	-61.6	175.4	140.8	0	0	110.8	I388 F389 P390 E394 K395 I396 I437 I441 R444	I388-E392 HydrophobicContact CD1-CB 4.24Å; I388-E392 HydrophobicContact CG1-CB 3.79Å; I388-E392 WeakPolarHBondContact CG1-OE2 3.47Å; F389-E392 HydrophobicContact CB-CG 4.15Å; F389-E392 HydrophobicContact CD2-CG 4.38Å; F389-E392 VanDerWaalsContact CD2-OE2 3.26Å; F389-E392 WeakPolarHBondContact CD2-OE2 3.43Å; F389-E392 PolarHBondContact N-OE2 3.29Å; F389-E392 WeakPolarHBondContact O-CB 3.3Å; F389-E392 PolarHBondContact O-N 3.26Å; P390-E392 VanDerWaalsContact C-N 3.32Å; P390-E392 PolarHBondContact O-N 3.22Å; E392-E394 PolarHBondContact O-N 3.16Å; E392-K395 PolarHBondContact O-N 3.43Å; E392-I396 VanDerWaalsContact O-CG1 3.29Å; E392-I396 WeakPolarHBondContact O-CG1 3.28Å; E392-I396 PolarHBondContact O-N 3.36Å; E392-I437 HydrophobicContact CB-CG2 3.94Å; E392-I437 HydrophobicContact CG-CD1 4.41Å; E392-I437 HydrophobicContact CG-CG2 4.13Å; E392-I441 HydrophobicContact CB-CD1 4.31Å; E392-R444 IonicContact OE1-CZ 3.47Å; E392-R444 IonicContact OE1-NH1 2.83Å; E392-R444 PolarHBondContact OE1-NH1 3.44Å; E392-R444 IonicContact OE1-NH2 3.33Å; E392-R444 PolarHBondContact OE1-NH2 3.44Å; E392-R444 IonicContact OE2-CZ 3.77Å; E392-R444 IonicContact OE2-NH1 3.14Å; E392-R444 PolarHBondContact OE2-NH1 3.26Å; E392-R444 IonicContact OE2-NH2 3.5Å; E392-R444 PolarHBondContact OE2-NH2 2.85Å
393	I	97.8	Very high	95.9	Very high	1 Å²	1	48 Å²	48	1%	0.005	25%	0.249	C	C	.	.	H	α-helix	trans	-55.9	-51.5	175.4	-69.6	172.7	0	0	0	110.8	I388 F389 P390 K395 I396 K397 L500 K522	I388-I393 HydrophobicContact CD1-CG1 4.11Å; I388-I393 HydrophobicContact CG1-CG1 4.11Å; I388-I393 HydrophobicContact CG2-CD1 4.09Å; I388-I393 HydrophobicContact CG2-CG1 3.95Å; F389-I393 WeakPolarHBondContact O-CG1 3.49Å; F389-I393 PolarHBondContact O-N 2.91Å; P390-I393 WeakPolarHBondContact O-CB 3.42Å; P390-I393 PolarHBondContact O-N 3.39Å; I393-K395 VanDerWaalsContact C-N 3.3Å; I393-K395 PolarHBondContact O-N 3.47Å; I393-I396 PolarHBondContact O-N 2.78Å; I393-K397 PolarHBondContact O-N 3.15Å; I393-L500 HydrophobicContact CG1-CD2 3.97Å; I393-L500 HydrophobicContact CG2-CB 4.02Å; I393-L500 WeakPolarHBondContact CG2-O 3.16Å; I393-K522 HydrophobicContact CD1-CD 4.38Å; I393-K522 HydrophobicContact CD1-CG 3.72Å
394	E	95.1	Very high	95.2	Very high	54 Å²	54	49 Å²	49	25%	0.252	25%	0.254	S	S	.	.	H	α-helix	trans	-61.3	-40.7	-179.5	-63.2	-47	133.6	0	0	111.4	P390 E392 I396 K397 E398 K522	P390-E394 WeakPolarHBondContact O-CG 3.41Å; P390-E394 PolarHBondContact O-N 3.35Å; P390-E394 VanDerWaalsContact O-N 3.09Å; E392-E394 PolarHBondContact O-N 3.16Å; E394-I396 PolarHBondContact O-N 2.64Å; E394-K397 PolarHBondContact O-N 3.46Å; E394-E398 WeakPolarHBondContact O-CB 3.48Å; E394-E398 PolarHBondContact O-N 2.98Å; E394-K522 IonicContact OE1-NZ 3.87Å
395	K	96.6	Very high	94.3	Very high	70 Å²	70	56.5 Å²	56.5	30%	0.304	28%	0.282	S	S	.	.	H	α-helix	trans	-66.6	-38.7	177.9	-170	54.7	172	-177.7	0	112.7	S391 E392 I393 E398 L399 I437	S391-K395 PolarHBondContact O-N 3.05Å; E392-K395 PolarHBondContact O-N 3.43Å; I393-K395 VanDerWaalsContact C-N 3.3Å; I393-K395 PolarHBondContact O-N 3.47Å; K395-E398 WeakPolarHBondContact CD-OE2 3.08Å; K395-E398 IonicContact NZ-OE1 2.98Å; K395-E398 PolarHBondContact NZ-OE1 3.43Å; K395-E398 IonicContact NZ-OE2 2.59Å; K395-E398 PolarHBondContact NZ-OE2 3.13Å; K395-E398 WeakPolarHBondContact O-CB 3.29Å; K395-E398 PolarHBondContact O-N 3.15Å; K395-L399 HydrophobicContact CG-CD1 4.34Å; K395-L399 VanDerWaalsContact O-CG 3.3Å; K395-L399 WeakPolarHBondContact O-CG 3.22Å; K395-L399 PolarHBondContact O-N 3.06Å; K395-I437 HydrophobicContact CB-CG1 4.32Å; K395-I437 HydrophobicContact CB-CG2 4.43Å; K395-I437 HydrophobicContact CG-CB 4.36Å; K395-I437 HydrophobicContact CG-CG1 3.99Å
396	I	97.9	Very high	93	Very high	0 Å²	0	59.1 Å²	59.1	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-64.7	-43.8	175.9	-70.8	-66.1	0	0	0	110.9	E392 I393 E394 L399 A400 L430 I437 T438 I441 V461 L500 M556	E392-I396 VanDerWaalsContact O-CG1 3.29Å; E392-I396 WeakPolarHBondContact O-CG1 3.28Å; E392-I396 PolarHBondContact O-N 3.36Å; I393-I396 PolarHBondContact O-N 2.78Å; E394-I396 PolarHBondContact O-N 2.64Å; I396-L399 PolarHBondContact O-N 2.75Å; I396-A400 VanDerWaalsContact O-CB 3.26Å; I396-A400 WeakPolarHBondContact O-CB 3.48Å; I396-A400 PolarHBondContact O-N 3.03Å; I396-L430 HydrophobicContact CD1-CD1 4.04Å; I396-L430 HydrophobicContact CG2-CD1 4.17Å; I396-I437 HydrophobicContact CD1-CG2 4.4Å; I396-I437 HydrophobicContact CG1-CG2 4.33Å; I396-T438 HydrophobicContact CD1-CG2 3.69Å; I396-I441 HydrophobicContact CD1-CD1 3.81Å; I396-I441 HydrophobicContact CG1-CD1 3.68Å; I396-V461 HydrophobicContact CG2-CG1 4.37Å; I396-V461 HydrophobicContact CG2-CG2 3.56Å; I396-L500 HydrophobicContact CG2-CD1 3.8Å; I396-M556 HydrophobicContact CD1-SD 4.43Å; I396-M556 HydrophobicContact CG2-SD 4.09Å
397	K	95	Very high	91	Very high	16 Å²	16	55.1 Å²	55.1	7%	0.07	27%	0.271	C	S	.	.	H	α-helix	trans	-58.2	-47.9	173.4	-73.5	-173.2	173.1	-165.1	0	111.1	E86 I393 E394 L399 A400 T401 W554	E86-K397 IonicContact OE2-NZ 3.17Å; E86-K397 PolarHBondContact OE2-NZ 3.09Å; I393-K397 PolarHBondContact O-N 3.15Å; E394-K397 PolarHBondContact O-N 3.46Å; K397-L399 PolarHBondContact O-N 3.42Å; K397-A400 PolarHBondContact O-N 2.99Å; K397-T401 PolarHBondContact O-N 2.91Å; K397-T401 PolarHBondContact O-OG1 2.92Å; K397-W554 HydrophobicContact CD-CD2 4.23Å; K397-W554 HydrophobicContact CD-CG 4.44Å; K397-W554 HydrophobicContact CG-CD2 4.14Å; K397-W554 HydrophobicContact CG-CE3 4.05Å; K397-W554 HydrophobicContact CG-CZ3 4.28Å
398	E	94.2	Very high	89.1	Confident	117 Å²	117	58.3 Å²	58.3	55%	0.547	29%	0.291	S	S	.	.	H	α-helix	trans	-56	-46.1	177.8	-171.5	-156.8	133.4	0	0	112.4	E394 K395 A400 P402	E394-E398 WeakPolarHBondContact O-CB 3.48Å; E394-E398 PolarHBondContact O-N 2.98Å; K395-E398 WeakPolarHBondContact CD-OE2 3.08Å; K395-E398 IonicContact NZ-OE1 2.98Å; K395-E398 PolarHBondContact NZ-OE1 3.43Å; K395-E398 IonicContact NZ-OE2 2.59Å; K395-E398 PolarHBondContact NZ-OE2 3.13Å; K395-E398 WeakPolarHBondContact O-CB 3.29Å; K395-E398 PolarHBondContact O-N 3.15Å; E398-A400 VanDerWaalsContact C-N 3.34Å; E398-A400 PolarHBondContact O-N 3.33Å; E398-P402 WeakPolarHBondContact O-CD 3.38Å
399	L	96.2	Very high	87.2	Confident	27 Å²	27	59.2 Å²	59.2	14%	0.141	30%	0.296	C	S	.	.	H	α-helix	trans	-67.9	-33.7	179.3	-69.4	172.6	0	0	0	112.9	K395 I396 K397 R403 L430 T438	K395-L399 HydrophobicContact CG-CD1 4.34Å; K395-L399 VanDerWaalsContact O-CG 3.3Å; K395-L399 WeakPolarHBondContact O-CG 3.22Å; K395-L399 PolarHBondContact O-N 3.06Å; I396-L399 PolarHBondContact O-N 2.75Å; K397-L399 PolarHBondContact O-N 3.42Å; L399-R403 PolarHBondContact O-NH1 3.44Å; L399-L430 HydrophobicContact CB-CD1 4.13Å; L399-L430 HydrophobicContact CB-CD2 4.18Å; L399-T438 HydrophobicContact CD1-CG2 4.32Å
400	A	95	Very high	85.1	Confident	0 Å²	0	58.5 Å²	58.5	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-80.4	-43.8	-176.3	0	0	0	0	0	113.4	I396 K397 E398 R403 L404 A428 L430 V461	I396-A400 VanDerWaalsContact O-CB 3.26Å; I396-A400 WeakPolarHBondContact O-CB 3.48Å; I396-A400 PolarHBondContact O-N 3.03Å; K397-A400 PolarHBondContact O-N 2.99Å; E398-A400 VanDerWaalsContact C-N 3.34Å; E398-A400 PolarHBondContact O-N 3.33Å; A400-R403 CarbonylContact O-C 3.55Å; A400-R403 WeakPolarHBondContact O-CA 3.43Å; A400-R403 WeakPolarHBondContact O-CB 3.18Å; A400-R403 PolarHBondContact O-N 3.19Å; A400-L404 PolarHBondContact O-N 3.46Å; A400-A428 HydrophobicContact CB-CB 4.06Å; A400-L430 HydrophobicContact CB-CD1 4.46Å; A400-V461 HydrophobicContact CB-CB 3.73Å; A400-V461 HydrophobicContact CB-CG1 3.65Å; A400-V461 HydrophobicContact CB-CG2 4.03Å
401	T	90.1	Very high	83.1	Confident	78 Å²	78	55.7 Å²	55.7	48%	0.479	27%	0.273	S	S	.	.	G	3₁₀ helix	trans	-45.6	-51.2	-174.6	-65.8	0	0	0	0	114.9	K397 R403 L404	K397-T401 PolarHBondContact O-N 2.91Å; K397-T401 PolarHBondContact O-OG1 2.92Å; T401-R403 PolarHBondContact O-N 3.34Å; T401-L404 PolarHBondContact O-N 3.46Å
402	P	88.8	Confident	80.9	Confident	81 Å²	81	55.8 Å²	55.8	53%	0.526	27%	0.271	S	S	.	.	G	3₁₀ helix	trans	-66.9	-20.4	179.7	26.6	-35	0	0	0	113.5	E398 R405	E398-P402 WeakPolarHBondContact O-CD 3.38Å; P402-R405 PolarHBondContact O-NH1 3.29Å; P402-R405 PolarHBondContact O-NH2 2.94Å
403	R	90.7	Very high	78.9	Confident	116 Å²	116	61 Å²	61	44%	0.438	30%	0.303	S	S	.	.	G	3₁₀ helix	trans	-97	-9.1	-179.1	-67.9	175	175.3	75.4	5.7	113.4	L399 A400 T401 R405 A428	L399-R403 PolarHBondContact O-NH1 3.44Å; A400-R403 CarbonylContact O-C 3.55Å; A400-R403 WeakPolarHBondContact O-CA 3.43Å; A400-R403 WeakPolarHBondContact O-CB 3.18Å; A400-R403 PolarHBondContact O-N 3.19Å; T401-R403 PolarHBondContact O-N 3.34Å; R403-R405 PolarHBondContact O-N 2.83Å; R403-A428 HydrophobicContact CB-CB 3.66Å
404	L	85.5	Confident	76.8	Confident	24 Å²	24	64.4 Å²	64.4	13%	0.126	32%	0.324	C	S	.	.			trans	-59.6	122.1	179.4	-75.2	178.3	0	0	0	110.2	A400 T401 K426 S427 A428 N463 W554	A400-L404 PolarHBondContact O-N 3.46Å; T401-L404 PolarHBondContact O-N 3.46Å; L404-K426 HydrophobicContact CB-CB 4.12Å; L404-K426 HydrophobicContact CD2-CB 4.26Å; L404-S427 WeakPolarHBondContact CA-O 3.35Å; L404-A428 HydrophobicContact CD2-CB 4.04Å; L404-N463 HydrophobicContact CD1-CB 4.39Å; L404-W554 HydrophobicContact CD1-CH2 3.65Å; L404-W554 HydrophobicContact CD1-CZ3 3.97Å
405	R	78.5	Confident	74.8	Confident	159 Å²	159	63.6 Å²	63.6	60%	0.6	33%	0.33	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-128.2	154	172.7	-61.7	-62.3	178.9	-86.8	-1.4	108.9	P402 R403 A407 K426 S427	P402-R405 PolarHBondContact O-NH1 3.29Å; P402-R405 PolarHBondContact O-NH2 2.94Å; R403-R405 PolarHBondContact O-N 2.83Å; R405-A407 PolarHBondContact O-N 3.15Å; R405-K426 CarbonylContact O-C 3.47Å; R405-K426 WeakPolarHBondContact O-CA 3.28Å; R405-K426 WeakPolarHBondContact O-CB 3.38Å; R405-S427 PolarHBondContact N-O 3.01Å; R405-S427 PolarHBondContact O-N 2.82Å
406	R	71.1	Confident	72.8	Confident	110 Å²	110	65 Å²	65	42%	0.415	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-53.2	127.7	174.8	-168.6	81.8	177.6	-161.1	1.1	107.9	T408 I419	R406-T408 PolarHBondContact O-N 3.34Å; R406-I419 HydrophobicContact CG-CG2 4.19Å
407	A	56	Low	70.5	Confident	3 Å²	3	70.4 Å²	70.4	3%	0.025	37%	0.368	C	S	.	.	P	Polyproline II helix	trans	-64.4	126.2	-179.7	0	0	0	0	0	109.5	R405 S425	R405-A407 PolarHBondContact O-N 3.15Å; A407-S425 PolarHBondContact N-O 3.47Å
408	T	57.7	Low	68.2	Low	73 Å²	73	73.7 Å²	73.7	45%	0.448	38%	0.384	S	S	.	.	P	Polyproline II helix	trans	-95.4	142	172.6	54	0	0	0	0	109.7	R406	R406-T408 PolarHBondContact O-N 3.34Å
409	V	56.6	Low	66.2	Low	22 Å²	22	73.6 Å²	73.6	13%	0.133	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	142	174.7	-170.5	0	0	0	0	109.3	N411 L417 E418 A420 Y422 R423	V409-N411 PolarHBondContact O-N 3.36Å; V409-L417 WeakPolarHBondContact O-CA 3.32Å; V409-E418 PolarHBondContact N-O 2.99Å; V409-E418 PolarHBondContact O-N 3.1Å; V409-A420 HydrophobicContact CB-CB 4.14Å; V409-A420 HydrophobicContact CG2-CB 3.85Å; V409-Y422 HydrophobicContact CB-CE2 4.25Å; V409-Y422 WeakPolarHBondContact CB-OH 3.4Å; V409-Y422 HydrophobicContact CG1-CE2 4.01Å; V409-Y422 WeakPolarHBondContact CG1-OH 3.42Å; V409-Y422 HydrophobicContact CG2-CE2 3.98Å; V409-R423 HydrophobicContact CG2-CB 4.25Å
410	K	52.5	Low	64.1	Low	92 Å²	92	72.8 Å²	72.8	40%	0.4	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.3	113.3	173.4	-167.2	-179.4	179.8	-172.6	0	108.1	P412 G415 L417 D483	K410-P412 WeakPolarHBondContact O-CD 3.38Å; K410-G415 WeakPolarHBondContact CG-O 3.29Å; K410-L417 HydrophobicContact CB-CD2 4.24Å; K410-D483 IonicContact NZ-OD2 2.94Å; K410-D483 PolarHBondContact NZ-OD2 3.45Å
411	N	54.6	Low	62.2	Low	31 Å²	31	80.6 Å²	80.6	17%	0.166	42%	0.417	C	S	.	.			trans	-59.7	122.9	174.3	177.1	-42.8	0	0	0	108.6	V409 V413 T414 G415 I416 E418	V409-N411 PolarHBondContact O-N 3.36Å; N411-V413 PolarHBondContact O-N 2.86Å; N411-V413 WeakPolarHBondContact OD1-CB 3.49Å; N411-V413 PolarHBondContact OD1-N 3.47Å; N411-T414 VanDerWaalsContact CB-OG1 3.26Å; N411-T414 WeakPolarHBondContact CB-OG1 3.08Å; N411-T414 PolarHBondContact OD1-N 3.21Å; N411-T414 VanDerWaalsContact OD1-N 3.12Å; N411-T414 PolarHBondContact OD1-OG1 2.86Å; N411-G415 WeakPolarHBondContact O-CA 2.89Å; N411-G415 PolarHBondContact O-N 3.16Å; N411-I416 WeakPolarHBondContact CB-O 3.42Å; N411-I416 PolarHBondContact N-O 3.25Å; N411-E418 HydrophobicContact CB-CG 4.47Å; N411-E418 PolarHBondContact ND2-OE1 3.07Å; N411-E418 PolarHBondContact ND2-OE2 3.09Å
412	P	51.5	Low	60.5	Low	93 Å²	93	81.5 Å²	81.5	60%	0.604	41%	0.413	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.5	-21.6	-173	24.1	-32.4	0	0	0	113.5	K410	K410-P412 WeakPolarHBondContact O-CD 3.38Å
413	V	55.2	Low	58.8	Low	113 Å²	113	78.7 Å²	78.7	69%	0.685	39%	0.392	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.9	-50.3	179.8	-177	0	0	0	0	110.9	N411	N411-V413 PolarHBondContact O-N 2.86Å; N411-V413 WeakPolarHBondContact OD1-CB 3.49Å; N411-V413 PolarHBondContact OD1-N 3.47Å
414	T	54.3	Low	57.8	Low	74 Å²	74	74.4 Å²	74.4	45%	0.454	38%	0.378	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.2	-23	-172.7	66.2	0	0	0	0	113.1	N411 I416	N411-T414 VanDerWaalsContact CB-OG1 3.26Å; N411-T414 WeakPolarHBondContact CB-OG1 3.08Å; N411-T414 PolarHBondContact OD1-N 3.21Å; N411-T414 VanDerWaalsContact OD1-N 3.12Å; N411-T414 PolarHBondContact OD1-OG1 2.86Å; T414-I416 PolarHBondContact O-N 3.46Å; T414-I416 PolarHBondContact OG1-N 2.96Å
415	G	52.5	Low	57.5	Low	36 Å²	36	73.5 Å²	73.5	37%	0.371	37%	0.374	S	S	.	.			trans	74.6	1.1	-173.2	0	0	0	0	0	114.3	K410 N411	K410-G415 WeakPolarHBondContact CG-O 3.29Å; N411-G415 WeakPolarHBondContact O-CA 2.89Å; N411-G415 PolarHBondContact O-N 3.16Å
416	I	54.7	Low	57.7	Low	101 Å²	101	71.1 Å²	71.1	52%	0.518	37%	0.368	S	S	.	.			trans	-82.5	143.8	-178.1	-59.9	173.9	0	0	0	109.7	N411 T414 E418	N411-I416 WeakPolarHBondContact CB-O 3.42Å; N411-I416 PolarHBondContact N-O 3.25Å; T414-I416 PolarHBondContact O-N 3.46Å; T414-I416 PolarHBondContact OG1-N 2.96Å; I416-E418 HydrophobicContact CG2-CG 4.41Å; I416-E418 PolarHBondContact O-N 3.14Å
417	L	49.4	Very low	58.5	Low	113 Å²	113	66.6 Å²	66.6	59%	0.592	35%	0.353	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-73.2	112.3	171.2	-70.5	176.8	0	0	0	109.8	V409 K410	V409-L417 WeakPolarHBondContact O-CA 3.32Å; K410-L417 HydrophobicContact CB-CD2 4.24Å
418	E	47.5	Very low	60.3	Low	85 Å²	85	66.6 Å²	66.6	40%	0.397	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	153.1	179.7	-72.6	174.1	-175	0	0	111	V409 N411 I416 A420	V409-E418 PolarHBondContact N-O 2.99Å; V409-E418 PolarHBondContact O-N 3.1Å; N411-E418 HydrophobicContact CB-CG 4.47Å; N411-E418 PolarHBondContact ND2-OE1 3.07Å; N411-E418 PolarHBondContact ND2-OE2 3.09Å; I416-E418 HydrophobicContact CG2-CG 4.41Å; I416-E418 PolarHBondContact O-N 3.14Å; E418-A420 PolarHBondContact O-N 3.14Å
419	I	52.7	Low	62.1	Low	115 Å²	115	68.3 Å²	68.3	59%	0.59	35%	0.351	S	S	*	.			trans	-78	107.9	169.7	-59.4	173.6	0	0	0	106.6	R406	R406-I419 HydrophobicContact CG-CG2 4.19Å
420	A	51.2	Low	64	Low	9 Å²	9	67.2 Å²	67.2	7%	0.074	35%	0.345	C	S	.	.			trans	-92.1	128	-176.6	0	0	0	0	0	111.7	V409 E418 Y422 R423	V409-A420 HydrophobicContact CB-CB 4.14Å; V409-A420 HydrophobicContact CG2-CB 3.85Å; E418-A420 PolarHBondContact O-N 3.14Å; A420-Y422 HydrophobicContact CB-CD1 3.65Å; A420-Y422 HydrophobicContact CB-CD2 3.99Å; A420-Y422 HydrophobicContact CB-CE1 3.3Å; A420-Y422 HydrophobicContact CB-CE2 3.66Å; A420-Y422 HydrophobicContact CB-CG 3.97Å; A420-Y422 PolarHBondContact O-N 3.03Å; A420-R423 PolarHBondContact O-N 3.49Å
421	F	54.8	Low	66.2	Low	164 Å²	164	65 Å²	65	72%	0.719	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64	-22.8	172.2	-66.1	-80.8	0	0	0	113	R423 H469	F421-R423 VanDerWaalsContact C-N 3.27Å; F421-R423 PolarHBondContact O-N 3.18Å; F421-H469 PolarHBondContact O-CE1 3.44Å
422	Y	55.7	Low	68.1	Low	98 Å²	98	65.2 Å²	65.2	38%	0.384	34%	0.34	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.6	0.5	177.6	62.3	-102.5	0	0	0	114.3	V409 A420 H469 A471	V409-Y422 HydrophobicContact CB-CE2 4.25Å; V409-Y422 WeakPolarHBondContact CB-OH 3.4Å; V409-Y422 HydrophobicContact CG1-CE2 4.01Å; V409-Y422 WeakPolarHBondContact CG1-OH 3.42Å; V409-Y422 HydrophobicContact CG2-CE2 3.98Å; A420-Y422 HydrophobicContact CB-CD1 3.65Å; A420-Y422 HydrophobicContact CB-CD2 3.99Å; A420-Y422 HydrophobicContact CB-CE1 3.3Å; A420-Y422 HydrophobicContact CB-CE2 3.66Å; A420-Y422 HydrophobicContact CB-CG 3.97Å; A420-Y422 PolarHBondContact O-N 3.03Å; Y422-H469 PolarHBondContact O-NE2 3.37Å; Y422-A471 HydrophobicContact CD2-CB 4.35Å; Y422-A471 HydrophobicContact CG-CB 4.49Å; Y422-A471 PolarHBondContact O-N 3.36Å
423	R	52.8	Low	70.2	Confident	22 Å²	22	66 Å²	66	8%	0.083	35%	0.347	C	S	.	.	B	Isolated β-bridge	trans	-139.7	100.9	170.5	-174.3	178.9	175.8	172.3	3.8	110.6	V409 A420 F421 S425 Q460 Y470	V409-R423 HydrophobicContact CG2-CB 4.25Å; A420-R423 PolarHBondContact O-N 3.49Å; F421-R423 VanDerWaalsContact C-N 3.27Å; F421-R423 PolarHBondContact O-N 3.18Å; R423-S425 PolarHBondContact NE-OG 2.76Å; R423-Q460 VanDerWaalsContact NH2-OE1 3.11Å; R423-Y470 HydrophobicContact CB-CD2 3.88Å; R423-Y470 HydrophobicContact CB-CE2 4.24Å; R423-Y470 HydrophobicContact CG-CD2 3.9Å; R423-Y470 HydrophobicContact CG-CE2 4.33Å; R423-Y470 HydrophobicContact CG-CG 4.17Å
424	T	69	Low	72.1	Confident	25 Å²	25	63.7 Å²	63.7	15%	0.153	33%	0.33	C	S	.	.			trans	-104.7	78	-179	-58.7	0	0	0	0	110.1	G468 H469	T424-G468 WeakPolarHBondContact O-CA 3.13Å; T424-H469 PolarHBondContact N-O 2.94Å
425	S	78.5	Confident	74.1	Confident	5 Å²	5	61.5 Å²	61.5	4%	0.035	32%	0.318	C	S	.	.			trans	-148.1	164.2	175.5	51.1	0	0	0	0	112.5	A407 R423 N463	A407-S425 PolarHBondContact N-O 3.47Å; R423-S425 PolarHBondContact NE-OG 2.76Å; S425-N463 WeakPolarHBondContact CA-O 3.27Å; S425-N463 WeakPolarHBondContact CB-O 3.35Å
426	K	84.2	Confident	76.2	Confident	109 Å²	109	66.6 Å²	66.6	47%	0.474	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	141.8	166.6	-64.4	-179	-178.7	175.1	0	109.2	L404 R405 G462 N463	L404-K426 HydrophobicContact CB-CB 4.12Å; L404-K426 HydrophobicContact CD2-CB 4.26Å; R405-K426 CarbonylContact O-C 3.47Å; R405-K426 WeakPolarHBondContact O-CA 3.28Å; R405-K426 WeakPolarHBondContact O-CB 3.38Å; K426-G462 CarbonylContact O-C 3.57Å; K426-G462 WeakPolarHBondContact O-CA 3Å; K426-N463 PolarHBondContact N-O 3.19Å; K426-N463 PolarHBondContact O-N 3.34Å
427	S	88.4	Confident	78.3	Confident	16 Å²	16	63.5 Å²	63.5	11%	0.112	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	156.6	177.6	60.1	0	0	0	0	113.1	L404 R405 V461	L404-S427 WeakPolarHBondContact CA-O 3.35Å; R405-S427 PolarHBondContact N-O 3.01Å; R405-S427 PolarHBondContact O-N 2.82Å; S427-V461 CarbonylContact C-O 3.51Å; S427-V461 WeakPolarHBondContact CA-O 3.27Å
428	A	93.6	Very high	80.6	Confident	3 Å²	3	58.1 Å²	58.1	3%	0.025	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.1	146.7	174.3	0	0	0	0	0	108.9	A400 R403 L404 Q460 V461	A400-A428 HydrophobicContact CB-CB 4.06Å; R403-A428 HydrophobicContact CB-CB 3.66Å; L404-A428 HydrophobicContact CD2-CB 4.04Å; A428-Q460 CarbonylContact O-C 3.45Å; A428-Q460 WeakPolarHBondContact O-CA 3.29Å; A428-V461 PolarHBondContact N-O 2.85Å; A428-V461 PolarHBondContact O-N 3.09Å
429	W	94.5	Very high	83	Confident	108 Å²	108	57.3 Å²	57.3	41%	0.409	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	129.7	176.3	-63.3	91.3	0	0	0	109.7	E457 D458 L459 Q460 W559	W429-E457 VanDerWaalsContact CH2-OE2 3.3Å; W429-E457 WeakPolarHBondContact CH2-OE2 3.46Å; W429-E457 HydrophobicContact CZ3-CB 4.22Å; W429-D458 HydrophobicContact CE3-CB 4.05Å; W429-D458 WeakPolarHBondContact CZ3-O 3.47Å; W429-L459 WeakPolarHBondContact CA-O 3.38Å; W429-Q460 HydrophobicContact CD2-CB 4.2Å; W429-Q460 HydrophobicContact CD2-CG 4.27Å; W429-Q460 HydrophobicContact CE3-CB 3.79Å; W429-Q460 HydrophobicContact CE3-CG 4.35Å; W429-Q460 HydrophobicContact CH2-CB 4.14Å; W429-Q460 HydrophobicContact CH2-CG 4.38Å; W429-Q460 VanDerWaalsContact CH2-NE2 3.29Å; W429-Q460 HydrophobicContact CZ2-CB 4.48Å; W429-Q460 HydrophobicContact CZ2-CG 4.26Å; W429-Q460 HydrophobicContact CZ3-CB 3.76Å; W429-Q460 HydrophobicContact CZ3-CG 4.41Å; W429-W559 HydrophobicContact CH2-CE3 4.26Å; W429-W559 AromaticContact CH2-CZ3 3.69Å; W429-W559 HydrophobicContact CH2-CZ3 3.69Å; W429-W559 HydrophobicContact CZ3-CE3 4.38Å; W429-W559 AromaticContact CZ3-CZ3 4Å; W429-W559 HydrophobicContact CZ3-CZ3 4Å
430	L	97.2	Very high	85.1	Confident	0 Å²	0	55.2 Å²	55.2	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	111.8	179.2	-52.7	-178.2	0	0	0	108.9	I396 L399 A400 M434 T438 L459 V461	I396-L430 HydrophobicContact CD1-CD1 4.04Å; I396-L430 HydrophobicContact CG2-CD1 4.17Å; L399-L430 HydrophobicContact CB-CD1 4.13Å; L399-L430 HydrophobicContact CB-CD2 4.18Å; A400-L430 HydrophobicContact CB-CD1 4.46Å; L430-M434 HydrophobicContact CB-SD 4.24Å; L430-M434 HydrophobicContact CD2-CE 4.34Å; L430-M434 HydrophobicContact CD2-SD 3.67Å; L430-M434 HydrophobicContact CG-SD 4.49Å; L430-T438 HydrophobicContact CB-CG2 4.35Å; L430-L459 HydrophobicContact CB-CB 4.29Å; L430-L459 PolarHBondContact N-O 2.84Å; L430-L459 WeakPolarHBondContact O-CB 3.47Å; L430-L459 PolarHBondContact O-N 2.8Å; L430-V461 HydrophobicContact CD1-CG2 3.61Å; L430-V461 HydrophobicContact CG-CG2 4.08Å
431	P	97.4	Very high	87.4	Confident	44 Å²	44	54.9 Å²	54.9	29%	0.286	27%	0.271	S	S	.	.			trans	-56.4	145	172.7	-25.7	34	0	0	0	112.5	S433 M434 D458	P431-S433 PolarHBondContact O-N 3.42Å; P431-S433 VanDerWaalsContact O-N 3.13Å; P431-M434 HydrophobicContact CB-CB 4.4Å; P431-M434 HydrophobicContact CG-CE 4.39Å; P431-M434 VanDerWaalsContact O-CB 3.22Å; P431-M434 WeakPolarHBondContact O-CB 3.35Å; P431-M434 PolarHBondContact O-N 2.89Å; P431-D458 WeakPolarHBondContact CA-OD1 3.48Å
432	H	95.5	Very high	89.4	Confident	37 Å²	37	47.2 Å²	47.2	17%	0.171	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.8	-38.5	178.9	-57.3	-65.3	0	0	0	112.7	T438 D439 S442 E457 D458	H432-T438 CarbonylContact O-C 3.26Å; H432-T438 VanDerWaalsContact O-C 3.26Å; H432-T438 WeakPolarHBondContact O-CB 3.24Å; H432-T438 PolarHBondContact O-OG1 3.36Å; H432-D439 WeakPolarHBondContact O-CA 3.47Å; H432-D439 PolarHBondContact O-N 3.34Å; H432-D439 VanDerWaalsContact O-N 3.09Å; H432-S442 PolarHBondContact ND1-OG 2.87Å; H432-E457 PolarHBondContact CE1-O 2.99Å; H432-E457 PolarHBondContact NE2-O 3.48Å; H432-D458 IonicContact CD2-OD1 3.35Å
433	S	94.4	Very high	91.4	Very high	109 Å²	109	47.4 Å²	47.4	76%	0.762	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	-91	10	-178.2	57.7	0	0	0	0	114.8	P431 S435	P431-S433 PolarHBondContact O-N 3.42Å; P431-S433 VanDerWaalsContact O-N 3.13Å; S433-S435 VanDerWaalsContact C-N 3.32Å; S433-S435 PolarHBondContact O-N 3.4Å
434	M	95.5	Very high	93.5	Very high	64 Å²	64	47.3 Å²	47.3	32%	0.315	24%	0.242	S	C	.	.	S	Bend	trans	-64.5	-35.5	-176.8	175.1	173.1	-86.5	0	0	113.2	L430 P431 T438	L430-M434 HydrophobicContact CB-SD 4.24Å; L430-M434 HydrophobicContact CD2-CE 4.34Å; L430-M434 HydrophobicContact CD2-SD 3.67Å; L430-M434 HydrophobicContact CG-SD 4.49Å; P431-M434 HydrophobicContact CB-CB 4.4Å; P431-M434 HydrophobicContact CG-CE 4.39Å; P431-M434 VanDerWaalsContact O-CB 3.22Å; P431-M434 WeakPolarHBondContact O-CB 3.35Å; P431-M434 PolarHBondContact O-N 2.89Å; M434-T438 PolarHBondContact N-OG1 2.92Å
435	S	96.5	Very high	94.9	Very high	29 Å²	29	46.2 Å²	46.2	20%	0.203	24%	0.235	C	C	.	.	S	Bend	trans	-151.6	165.6	-178.7	68.8	0	0	0	0	110.8	S433 I437 T438 D439	S433-S435 VanDerWaalsContact C-N 3.32Å; S433-S435 PolarHBondContact O-N 3.4Å; S435-I437 PolarHBondContact O-N 3.5Å; S435-I437 PolarHBondContact OG-N 2.98Å; S435-T438 PolarHBondContact N-OG1 3.01Å; S435-T438 PolarHBondContact O-N 2.91Å; S435-T438 PolarHBondContact O-OG1 3.39Å; S435-T438 WeakPolarHBondContact OG-CG2 3.4Å; S435-T438 PolarHBondContact OG-N 3.21Å; S435-T438 VanDerWaalsContact OG-N 3.11Å; S435-T438 PolarHBondContact OG-OG1 3.17Å; S435-T438 VanDerWaalsContact OG-OG1 3.14Å; S435-D439 PolarHBondContact O-N 2.59Å; S435-D439 VanDerWaalsContact O-N 3.13Å
436	E	97.6	Very high	95.9	Very high	142 Å²	142	50.8 Å²	50.8	66%	0.664	25%	0.251	S	S	*	.	H	α-helix	trans	-57.4	-38.9	172.8	-171.1	-178.4	172.4	0	0	111.8	D439 Q440	E436-D439 PolarHBondContact O-N 3.11Å; E436-Q440 HydrophobicContact CG-CG 4.47Å; E436-Q440 WeakPolarHBondContact O-CB 3.12Å; E436-Q440 VanDerWaalsContact O-CG 3.27Å; E436-Q440 WeakPolarHBondContact O-CG 3.26Å; E436-Q440 PolarHBondContact O-N 3.45Å; E436-Q440 PolarHBondContact OE1-NE2 3.36Å; E436-Q440 VanDerWaalsContact OE1-NE2 3.08Å
437	I	97.8	Very high	96.5	Very high	37 Å²	37	46 Å²	46	19%	0.19	23%	0.232	C	C	.	.	H	α-helix	trans	-67.1	-43.3	179.8	-61.5	-55.6	0	0	0	111.8	E392 K395 I396 S435 D439 Q440 I441	E392-I437 HydrophobicContact CB-CG2 3.94Å; E392-I437 HydrophobicContact CG-CD1 4.41Å; E392-I437 HydrophobicContact CG-CG2 4.13Å; K395-I437 HydrophobicContact CB-CG1 4.32Å; K395-I437 HydrophobicContact CB-CG2 4.43Å; K395-I437 HydrophobicContact CG-CB 4.36Å; K395-I437 HydrophobicContact CG-CG1 3.99Å; I396-I437 HydrophobicContact CD1-CG2 4.4Å; I396-I437 HydrophobicContact CG1-CG2 4.33Å; S435-I437 PolarHBondContact O-N 3.5Å; S435-I437 PolarHBondContact OG-N 2.98Å; I437-D439 VanDerWaalsContact C-N 3.27Å; I437-D439 PolarHBondContact O-N 3.22Å; I437-Q440 PolarHBondContact O-N 3.4Å; I437-I441 HydrophobicContact CG2-CD1 3.74Å; I437-I441 HydrophobicContact CG2-CG1 4.43Å; I437-I441 WeakPolarHBondContact O-CD1 3.43Å; I437-I441 VanDerWaalsContact O-CG1 3.28Å; I437-I441 WeakPolarHBondContact O-CG1 3.48Å; I437-I441 PolarHBondContact O-N 3.3Å
438	T	98	Very high	97	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-64.4	-35.1	177.6	52.6	0	0	0	0	111.6	I396 L399 L430 H432 M434 S435 S442 L459	I396-T438 HydrophobicContact CD1-CG2 3.69Å; L399-T438 HydrophobicContact CD1-CG2 4.32Å; L430-T438 HydrophobicContact CB-CG2 4.35Å; H432-T438 CarbonylContact O-C 3.26Å; H432-T438 VanDerWaalsContact O-C 3.26Å; H432-T438 WeakPolarHBondContact O-CB 3.24Å; H432-T438 PolarHBondContact O-OG1 3.36Å; M434-T438 PolarHBondContact N-OG1 2.92Å; S435-T438 PolarHBondContact N-OG1 3.01Å; S435-T438 PolarHBondContact O-N 2.91Å; S435-T438 PolarHBondContact O-OG1 3.39Å; S435-T438 WeakPolarHBondContact OG-CG2 3.4Å; S435-T438 PolarHBondContact OG-N 3.21Å; S435-T438 VanDerWaalsContact OG-N 3.11Å; S435-T438 PolarHBondContact OG-OG1 3.17Å; S435-T438 VanDerWaalsContact OG-OG1 3.14Å; T438-S442 VanDerWaalsContact O-CB 3.29Å; T438-S442 WeakPolarHBondContact O-CB 3.21Å; T438-S442 PolarHBondContact O-N 3.48Å; T438-S442 PolarHBondContact O-OG 3.17Å; T438-L459 HydrophobicContact CG2-CD1 4.15Å
439	D	97.6	Very high	97.2	Very high	68 Å²	68	46 Å²	46	36%	0.364	23%	0.231	S	C	.	.	H	α-helix	trans	-70	-47.1	175.6	-178.2	36.8	0	0	0	111.3	H432 S435 E436 I437 I441 S442 Q443	H432-D439 WeakPolarHBondContact O-CA 3.47Å; H432-D439 PolarHBondContact O-N 3.34Å; H432-D439 VanDerWaalsContact O-N 3.09Å; S435-D439 PolarHBondContact O-N 2.59Å; S435-D439 VanDerWaalsContact O-N 3.13Å; E436-D439 PolarHBondContact O-N 3.11Å; I437-D439 VanDerWaalsContact C-N 3.27Å; I437-D439 PolarHBondContact O-N 3.22Å; D439-I441 VanDerWaalsContact C-N 3.34Å; D439-I441 PolarHBondContact O-N 2.81Å; D439-S442 PolarHBondContact O-N 2.82Å; D439-S442 VanDerWaalsContact O-N 3.11Å; D439-Q443 WeakPolarHBondContact O-CG 3.19Å; D439-Q443 PolarHBondContact O-N 3.44Å; D439-Q443 PolarHBondContact OD1-NE2 3.02Å; D439-Q443 PolarHBondContact OD2-NE2 3.23Å
440	Q	97.5	Very high	97.2	Very high	71 Å²	71	42.9 Å²	42.9	33%	0.332	23%	0.233	S	C	.	.	H	α-helix	trans	-57.3	-44.7	176.2	-74.4	176.8	7.9	0	0	112.3	E436 I437 Q443 R444	E436-Q440 HydrophobicContact CG-CG 4.47Å; E436-Q440 WeakPolarHBondContact O-CB 3.12Å; E436-Q440 VanDerWaalsContact O-CG 3.27Å; E436-Q440 WeakPolarHBondContact O-CG 3.26Å; E436-Q440 PolarHBondContact O-N 3.45Å; E436-Q440 PolarHBondContact OE1-NE2 3.36Å; E436-Q440 VanDerWaalsContact OE1-NE2 3.08Å; I437-Q440 PolarHBondContact O-N 3.4Å; Q440-Q443 PolarHBondContact O-N 3.4Å; Q440-R444 WeakPolarHBondContact O-CB 3.32Å; Q440-R444 PolarHBondContact O-N 2.73Å
441	I	98.3	Very high	97.2	Very high	1 Å²	1	43 Å²	43	1%	0.005	23%	0.233	C	C	.	.	H	α-helix	trans	-63.6	-45.8	175.5	-67	162.7	0	0	0	110.3	I388 E392 I396 I437 D439 Q443 R444 I445 M556	I388-I441 HydrophobicContact CD1-CD1 3.65Å; I388-I441 HydrophobicContact CD1-CG1 4.17Å; I388-I441 HydrophobicContact CG1-CD1 4.3Å; I388-I441 HydrophobicContact CG1-CG1 4.4Å; E392-I441 HydrophobicContact CB-CD1 4.31Å; I396-I441 HydrophobicContact CD1-CD1 3.81Å; I396-I441 HydrophobicContact CG1-CD1 3.68Å; I437-I441 HydrophobicContact CG2-CD1 3.74Å; I437-I441 HydrophobicContact CG2-CG1 4.43Å; I437-I441 WeakPolarHBondContact O-CD1 3.43Å; I437-I441 VanDerWaalsContact O-CG1 3.28Å; I437-I441 WeakPolarHBondContact O-CG1 3.48Å; I437-I441 PolarHBondContact O-N 3.3Å; D439-I441 VanDerWaalsContact C-N 3.34Å; D439-I441 PolarHBondContact O-N 2.81Å; I441-Q443 PolarHBondContact O-N 2.95Å; I441-R444 WeakPolarHBondContact O-CB 3.5Å; I441-R444 PolarHBondContact O-N 2.72Å; I441-R444 VanDerWaalsContact O-N 3.13Å; I441-I445 HydrophobicContact CG2-CD1 3.77Å; I441-I445 HydrophobicContact CG2-CG1 4.23Å; I441-I445 VanDerWaalsContact O-CG1 3.28Å; I441-I445 WeakPolarHBondContact O-CG1 3.34Å; I441-I445 PolarHBondContact O-N 3.24Å; I441-M556 HydrophobicContact CG2-CE 3.79Å
442	S	98.1	Very high	97.2	Very high	4 Å²	4	41.1 Å²	41.1	3%	0.028	22%	0.221	C	C	.	.	H	α-helix	trans	-60.3	-43.9	178.9	-61.7	0	0	0	0	111.6	H432 T438 D439 R444 I445 R446 L453	H432-S442 PolarHBondContact ND1-OG 2.87Å; T438-S442 VanDerWaalsContact O-CB 3.29Å; T438-S442 WeakPolarHBondContact O-CB 3.21Å; T438-S442 PolarHBondContact O-N 3.48Å; T438-S442 PolarHBondContact O-OG 3.17Å; D439-S442 PolarHBondContact O-N 2.82Å; D439-S442 VanDerWaalsContact O-N 3.11Å; S442-R444 VanDerWaalsContact C-N 3.32Å; S442-R444 PolarHBondContact O-N 3.18Å; S442-I445 WeakPolarHBondContact O-CB 3.45Å; S442-I445 PolarHBondContact O-N 3.03Å; S442-R446 PolarHBondContact O-N 3.36Å; S442-L453 WeakPolarHBondContact O-CD1 3.48Å
443	Q	97.3	Very high	97.2	Very high	102 Å²	102	39.9 Å²	39.9	48%	0.477	22%	0.216	S	C	.	.	H	α-helix	trans	-62	-39.2	175	-69.3	178.3	28.4	0	0	112.2	D439 Q440 I441 R446 A447	D439-Q443 WeakPolarHBondContact O-CG 3.19Å; D439-Q443 PolarHBondContact O-N 3.44Å; D439-Q443 PolarHBondContact OD1-NE2 3.02Å; D439-Q443 PolarHBondContact OD2-NE2 3.23Å; Q440-Q443 PolarHBondContact O-N 3.4Å; I441-Q443 PolarHBondContact O-N 2.95Å; Q443-R446 PolarHBondContact O-N 3.46Å; Q443-A447 WeakPolarHBondContact O-CB 3.45Å; Q443-A447 PolarHBondContact O-N 2.99Å
444	R	97.7	Very high	97.2	Very high	20 Å²	20	40.8 Å²	40.8	8%	0.075	21%	0.208	C	C	.	.	H	α-helix	trans	-65.7	-41.4	174.9	-167.9	-176.1	-58.5	139.5	10.3	112	F364 F365 L387 E392 Q440 I441 S442 A447 V448	F364-R444 HydrophobicContact CE1-CG 4.27Å; F365-R444 HydrophobicContact CE1-CG 4.35Å; F365-R444 HydrophobicContact CZ-CG 3.85Å; L387-R444 HydrophobicContact CD1-CG 4.17Å; L387-R444 WeakPolarHBondContact O-CD 3.5Å; L387-R444 PolarHBondContact O-NH1 2.87Å; E392-R444 IonicContact OE1-CZ 3.47Å; E392-R444 IonicContact OE1-NH1 2.83Å; E392-R444 PolarHBondContact OE1-NH1 3.44Å; E392-R444 IonicContact OE1-NH2 3.33Å; E392-R444 PolarHBondContact OE1-NH2 3.44Å; E392-R444 IonicContact OE2-CZ 3.77Å; E392-R444 IonicContact OE2-NH1 3.14Å; E392-R444 PolarHBondContact OE2-NH1 3.26Å; E392-R444 IonicContact OE2-NH2 3.5Å; E392-R444 PolarHBondContact OE2-NH2 2.85Å; Q440-R444 WeakPolarHBondContact O-CB 3.32Å; Q440-R444 PolarHBondContact O-N 2.73Å; I441-R444 WeakPolarHBondContact O-CB 3.5Å; I441-R444 PolarHBondContact O-N 2.72Å; I441-R444 VanDerWaalsContact O-N 3.13Å; S442-R444 VanDerWaalsContact C-N 3.32Å; S442-R444 PolarHBondContact O-N 3.18Å; R444-A447 PolarHBondContact O-N 3.26Å; R444-V448 WeakPolarHBondContact O-CG1 3.49Å; R444-V448 PolarHBondContact O-N 2.97Å
445	I	98.5	Very high	97.2	Very high	1 Å²	1	38.5 Å²	38.5	1%	0.005	20%	0.198	C	C	.	.	H	α-helix	trans	-58.3	-48.6	174.3	-70.1	169.6	0	0	0	110.3	I441 S442 A447 V448 T449 L453 L459 I496 F498 L558 F560	I441-I445 HydrophobicContact CG2-CD1 3.77Å; I441-I445 HydrophobicContact CG2-CG1 4.23Å; I441-I445 VanDerWaalsContact O-CG1 3.28Å; I441-I445 WeakPolarHBondContact O-CG1 3.34Å; I441-I445 PolarHBondContact O-N 3.24Å; S442-I445 WeakPolarHBondContact O-CB 3.45Å; S442-I445 PolarHBondContact O-N 3.03Å; I445-A447 VanDerWaalsContact C-N 3.33Å; I445-A447 PolarHBondContact O-N 3.35Å; I445-V448 WeakPolarHBondContact O-CG1 2.95Å; I445-V448 PolarHBondContact O-N 3.38Å; I445-T449 HydrophobicContact CG2-CG2 4.37Å; I445-T449 WeakPolarHBondContact O-CB 3.47Å; I445-T449 WeakPolarHBondContact O-CG2 3.23Å; I445-T449 PolarHBondContact O-N 3.25Å; I445-T449 PolarHBondContact O-OG1 2.64Å; I445-L453 HydrophobicContact CG2-CD2 4.19Å; I445-L459 HydrophobicContact CD1-CD2 3.99Å; I445-I496 HydrophobicContact CG1-CD1 4.34Å; I445-I496 HydrophobicContact CG2-CD1 4.43Å; I445-I496 HydrophobicContact CG2-CG2 4.25Å; I445-F498 HydrophobicContact CD1-CE2 3.5Å; I445-F498 HydrophobicContact CD1-CZ 3.92Å; I445-F498 HydrophobicContact CG1-CE2 3.62Å; I445-F498 HydrophobicContact CG1-CZ 3.56Å; I445-L558 HydrophobicContact CD1-CD1 3.98Å; I445-L558 HydrophobicContact CG2-CD1 4.4Å; I445-L558 HydrophobicContact CG2-CD2 4.39Å; I445-F560 HydrophobicContact CG2-CE1 4.19Å; I445-F560 HydrophobicContact CG2-CE2 4.44Å; I445-F560 HydrophobicContact CG2-CZ 3.51Å
446	R	97.6	Very high	97.1	Very high	102 Å²	102	37.9 Å²	37.9	39%	0.385	19%	0.194	S	C	.	.	H	α-helix	trans	-57.6	-46.1	175	178.6	-178	-70.4	160.9	-7	111.4	S442 Q443 V448 G450 L451 L453 E454	S442-R446 PolarHBondContact O-N 3.36Å; Q443-R446 PolarHBondContact O-N 3.46Å; R446-V448 PolarHBondContact O-N 3.2Å; R446-G450 WeakPolarHBondContact O-CA 3.05Å; R446-G450 PolarHBondContact O-N 3.26Å; R446-L451 WeakPolarHBondContact CG-O 3.47Å; R446-L453 HydrophobicContact CB-CD1 4.17Å; R446-L453 HydrophobicContact CB-CG 4.25Å; R446-E454 IonicContact NH2-OE1 2.81Å; R446-E454 IonicContact NH2-OE2 3.55Å; R446-E454 PolarHBondContact NH2-OE2 3.4Å
447	A	97.6	Very high	97	Very high	9 Å²	9	33 Å²	33	7%	0.074	17%	0.171	C	C	.	.	H	α-helix	trans	-66	-36.5	-178.8	0	0	0	0	0	113.2	H362 F364 F365 Q443 R444 I445	H362-A447 HydrophobicContact CB-CB 4.01Å; H362-A447 VanDerWaalsContact CB-O 3.25Å; H362-A447 WeakPolarHBondContact CB-O 3.49Å; F364-A447 HydrophobicContact CB-CB 4.34Å; F365-A447 HydrophobicContact CD2-CB 4.48Å; F365-A447 HydrophobicContact CE2-CB 3.76Å; F365-A447 HydrophobicContact CZ-CB 4.48Å; Q443-A447 WeakPolarHBondContact O-CB 3.45Å; Q443-A447 PolarHBondContact O-N 2.99Å; R444-A447 PolarHBondContact O-N 3.26Å; I445-A447 VanDerWaalsContact C-N 3.33Å; I445-A447 PolarHBondContact O-N 3.35Å
448	V	98.2	Very high	97	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-83.1	-36.5	-176.3	70.7	0	0	0	0	112.9	P361 F365 V370 W384 L387 R444 I445 R446	P361-V448 HydrophobicContact CG-CG2 4.27Å; F365-V448 HydrophobicContact CE2-CB 3.8Å; F365-V448 HydrophobicContact CE2-CG2 4.4Å; F365-V448 HydrophobicContact CZ-CB 3.94Å; F365-V448 HydrophobicContact CZ-CG2 4.49Å; V370-V448 HydrophobicContact CG1-CG2 4.19Å; V370-V448 HydrophobicContact CG2-CG2 3.88Å; W384-V448 HydrophobicContact CD2-CG2 3.71Å; W384-V448 HydrophobicContact CE3-CG1 3.93Å; W384-V448 HydrophobicContact CE3-CG2 3.72Å; W384-V448 HydrophobicContact CG-CG2 4.39Å; W384-V448 HydrophobicContact CH2-CG1 4.13Å; W384-V448 HydrophobicContact CH2-CG2 3.87Å; W384-V448 HydrophobicContact CZ2-CG2 3.86Å; W384-V448 HydrophobicContact CZ3-CB 4.33Å; W384-V448 HydrophobicContact CZ3-CG1 3.59Å; W384-V448 HydrophobicContact CZ3-CG2 3.8Å; L387-V448 HydrophobicContact CD1-CB 4.33Å; L387-V448 HydrophobicContact CD1-CG1 4.38Å; L387-V448 HydrophobicContact CD1-CG2 4.25Å; L387-V448 HydrophobicContact CD2-CG1 4.07Å; R444-V448 WeakPolarHBondContact O-CG1 3.49Å; R444-V448 PolarHBondContact O-N 2.97Å; I445-V448 WeakPolarHBondContact O-CG1 2.95Å; I445-V448 PolarHBondContact O-N 3.38Å; R446-V448 PolarHBondContact O-N 3.2Å
449	T	97.6	Very high	97	Very high	19 Å²	19	34.2 Å²	34.2	12%	0.117	18%	0.178	C	C	.	.	H	α-helix	trans	-84.4	-25.9	-179.1	60	0	0	0	0	112.8	W384 I445 L451 I496 F527 F560	W384-T449 HydrophobicContact CH2-CG2 3.89Å; W384-T449 HydrophobicContact CZ3-CG2 3.87Å; I445-T449 HydrophobicContact CG2-CG2 4.37Å; I445-T449 WeakPolarHBondContact O-CB 3.47Å; I445-T449 WeakPolarHBondContact O-CG2 3.23Å; I445-T449 PolarHBondContact O-N 3.25Å; I445-T449 PolarHBondContact O-OG1 2.64Å; T449-L451 PolarHBondContact O-N 2.97Å; T449-L451 PolarHBondContact OG1-N 3.46Å; T449-I496 HydrophobicContact CG2-CD1 4.38Å; T449-F527 HydrophobicContact CG2-CD2 3.86Å; T449-F527 HydrophobicContact CG2-CE2 3.62Å; T449-F527 HydrophobicContact CG2-CZ 4.3Å; T449-F560 HydrophobicContact CG2-CE2 4.26Å; T449-F560 HydrophobicContact CG2-CZ 3.8Å
450	G	96.3	Very high	96.9	Very high	42 Å²	42	31.4 Å²	31.4	43%	0.433	16%	0.163	S	C	.	.			trans	72.3	5.1	-169.6	0	0	0	0	0	113.8	R446 R568	R446-G450 WeakPolarHBondContact O-CA 3.05Å; R446-G450 PolarHBondContact O-N 3.26Å; G450-R568 VanDerWaalsContact O-CD 3.28Å; G450-R568 WeakPolarHBondContact O-CD 3.44Å
451	L	97.2	Very high	96.9	Very high	3 Å²	3	28 Å²	28	2%	0.016	15%	0.147	C	C	.	.			trans	-94.3	151.2	-177.1	-60.8	178	0	0	0	112.1	R446 T449 A494 F527 F529 F560 R568	R446-L451 WeakPolarHBondContact CG-O 3.47Å; T449-L451 PolarHBondContact O-N 2.97Å; T449-L451 PolarHBondContact OG1-N 3.46Å; L451-A494 HydrophobicContact CD1-CB 3.8Å; L451-F527 HydrophobicContact CD1-CE2 4.28Å; L451-F527 HydrophobicContact CD1-CZ 4.18Å; L451-F529 HydrophobicContact CD1-CE1 4.02Å; L451-F529 HydrophobicContact CD2-CE1 4.42Å; L451-F560 HydrophobicContact CB-CD1 3.58Å; L451-F560 HydrophobicContact CB-CE1 3.57Å; L451-F560 HydrophobicContact CB-CG 4.37Å; L451-F560 HydrophobicContact CB-CZ 4.37Å; L451-F560 HydrophobicContact CD1-CB 4.24Å; L451-F560 HydrophobicContact CD1-CD1 3.84Å; L451-F560 HydrophobicContact CD1-CD2 4.03Å; L451-F560 HydrophobicContact CD1-CE1 4.09Å; L451-F560 HydrophobicContact CD1-CE2 4.29Å; L451-F560 HydrophobicContact CD1-CG 3.78Å; L451-F560 HydrophobicContact CD1-CZ 4.31Å; L451-F560 HydrophobicContact CG-CD1 4.38Å; L451-F560 HydrophobicContact CG-CE1 4.46Å; L451-R568 HydrophobicContact CD2-CB 4.46Å
452	S	96.6	Very high	96.7	Very high	4 Å²	4	28 Å²	28	3%	0.028	15%	0.148	C	C	.	.			trans	-72.4	145.2	173.7	165.9	0	0	0	0	110.9	E454 F560 Q565	S452-E454 WeakPolarHBondContact CA-OE2 3.12Å; S452-E454 WeakPolarHBondContact CB-OE2 3.45Å; S452-E454 PolarHBondContact OG-N 3.28Å; S452-E454 PolarHBondContact OG-OE2 3.36Å; S452-F560 WeakPolarHBondContact O-CD1 3.46Å; S452-Q565 PolarHBondContact O-NE2 3.47Å
453	L	96.1	Very high	96.4	Very high	11 Å²	11	29.2 Å²	29.2	6%	0.058	15%	0.154	C	C	.	.			trans	-106.1	-1.7	175.7	-65.2	-175.6	0	0	0	113.1	S442 I445 R446 T455 A456 L558 F560	S442-L453 WeakPolarHBondContact O-CD1 3.48Å; I445-L453 HydrophobicContact CG2-CD2 4.19Å; R446-L453 HydrophobicContact CB-CD1 4.17Å; R446-L453 HydrophobicContact CB-CG 4.25Å; L453-T455 PolarHBondContact O-N 3.23Å; L453-T455 VanDerWaalsContact O-N 3.14Å; L453-A456 HydrophobicContact CB-CB 4.25Å; L453-A456 HydrophobicContact CD2-CB 3.75Å; L453-A456 PolarHBondContact O-N 2.99Å; L453-A456 VanDerWaalsContact O-N 3.08Å; L453-L558 HydrophobicContact CD2-CD1 3.99Å; L453-L558 HydrophobicContact CD2-CD2 3.97Å; L453-F560 HydrophobicContact CD2-CD1 3.96Å; L453-F560 HydrophobicContact CD2-CE1 3.36Å; L453-F560 HydrophobicContact CD2-CZ 4.11Å
454	E	94.5	Very high	95.8	Very high	127 Å²	127	24.9 Å²	24.9	59%	0.593	13%	0.133	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.8	-25.4	-174	-73.9	78.6	159.8	0	0	112.6	R446 S452	R446-E454 IonicContact NH2-OE1 2.81Å; R446-E454 IonicContact NH2-OE2 3.55Å; R446-E454 PolarHBondContact NH2-OE2 3.4Å; S452-E454 WeakPolarHBondContact CA-OE2 3.12Å; S452-E454 WeakPolarHBondContact CB-OE2 3.45Å; S452-E454 PolarHBondContact OG-N 3.28Å; S452-E454 PolarHBondContact OG-OE2 3.36Å
455	T	94.4	Very high	94.8	Very high	17 Å²	17	25.4 Å²	25.4	10%	0.104	15%	0.145	C	C	.	.	T	Hydrogen-bonded Turn	trans	-121.8	7	176.1	55.7	0	0	0	0	112.1	L453 H561 R563	L453-T455 PolarHBondContact O-N 3.23Å; L453-T455 VanDerWaalsContact O-N 3.14Å; T455-H561 WeakPolarHBondContact O-CB 3.35Å; T455-H561 PolarHBondContact O-CD2 3.13Å; T455-R563 WeakPolarHBondContact CB-O 3.23Å; T455-R563 HydrophobicContact CG2-CB 4.12Å; T455-R563 HydrophobicContact CG2-CG 4.02Å; T455-R563 WeakPolarHBondContact CG2-O 3.44Å; T455-R563 PolarHBondContact OG1-O 3.42Å
456	A	95.6	Very high	94	Very high	16 Å²	16	26.6 Å²	26.6	13%	0.132	15%	0.151	C	C	.	.	P	Polyproline II helix	trans	-71.3	155.2	176	0	0	0	0	0	110.4	L453 L558 W559 F560	L453-A456 HydrophobicContact CB-CB 4.25Å; L453-A456 HydrophobicContact CD2-CB 3.75Å; L453-A456 PolarHBondContact O-N 2.99Å; L453-A456 VanDerWaalsContact O-N 3.08Å; A456-L558 HydrophobicContact CB-CD2 4.07Å; A456-L558 HydrophobicContact CB-CG 4.47Å; A456-W559 WeakPolarHBondContact CA-O 3.5Å; A456-F560 HydrophobicContact CB-CD1 4.42Å
457	E	95.4	Very high	93	Very high	39 Å²	39	21.7 Å²	21.7	18%	0.182	13%	0.133	C	C	.	.	P	Polyproline II helix	trans	-73.4	156.4	171.8	-60.6	-173.2	-164.2	0	0	111.3	W429 H432 R492 W559 H561	W429-E457 VanDerWaalsContact CH2-OE2 3.3Å; W429-E457 WeakPolarHBondContact CH2-OE2 3.46Å; W429-E457 HydrophobicContact CZ3-CB 4.22Å; H432-E457 PolarHBondContact CE1-O 2.99Å; H432-E457 PolarHBondContact NE2-O 3.48Å; E457-R492 IonicContact OE1-CZ 3.93Å; E457-R492 IonicContact OE1-NE 3.69Å; E457-R492 PolarHBondContact OE1-NE 2.97Å; E457-R492 IonicContact OE1-NH2 3.88Å; E457-R492 PolarHBondContact OE1-NH2 3.27Å; E457-R492 IonicContact OE2-CZ 2.93Å; E457-R492 IonicContact OE2-NE 3.48Å; E457-R492 IonicContact OE2-NH2 3.51Å; E457-R492 PolarHBondContact OE2-NH2 3.18Å; E457-W559 HydrophobicContact CB-CE3 4.5Å; E457-W559 HydrophobicContact CG-CB 4.31Å; E457-W559 PolarHBondContact N-O 3.1Å; E457-H561 VanDerWaalsContact CG-NE2 3.32Å; E457-H561 WeakPolarHBondContact CG-NE2 3.42Å; E457-H561 IonicContact OE1-CE1 3.79Å; E457-H561 IonicContact OE1-NE2 3.69Å; E457-H561 PolarHBondContact OE1-NE2 3.41Å
458	D	96.3	Very high	92.3	Very high	63 Å²	63	21.3 Å²	21.3	34%	0.337	13%	0.13	S	C	.	.	P	Polyproline II helix	trans	-56.9	156.2	170.9	-75.8	-17.9	0	0	0	111.3	W429 P431 H432 Q460	W429-D458 HydrophobicContact CE3-CB 4.05Å; W429-D458 WeakPolarHBondContact CZ3-O 3.47Å; P431-D458 WeakPolarHBondContact CA-OD1 3.48Å; H432-D458 IonicContact CD2-OD1 3.35Å; D458-Q460 PolarHBondContact O-N 3.37Å; D458-Q460 VanDerWaalsContact O-N 3.12Å
459	L	98.1	Very high	91.6	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.3	116.2	178.1	-61.1	167.5	0	0	0	109.6	W429 L430 T438 I445 M556 L558	W429-L459 WeakPolarHBondContact CA-O 3.38Å; L430-L459 HydrophobicContact CB-CB 4.29Å; L430-L459 PolarHBondContact N-O 2.84Å; L430-L459 WeakPolarHBondContact O-CB 3.47Å; L430-L459 PolarHBondContact O-N 2.8Å; T438-L459 HydrophobicContact CG2-CD1 4.15Å; I445-L459 HydrophobicContact CD1-CD2 3.99Å; L459-M556 HydrophobicContact CB-CG 4.07Å; L459-M556 HydrophobicContact CB-SD 3.95Å; L459-M556 HydrophobicContact CD1-SD 4.02Å; L459-M556 HydrophobicContact CD2-CE 4.14Å; L459-M556 HydrophobicContact CD2-CG 4.29Å; L459-M556 HydrophobicContact CD2-SD 3.93Å; L459-M556 HydrophobicContact CG-SD 4.19Å; L459-L558 HydrophobicContact CD2-CB 4.17Å; L459-L558 HydrophobicContact CD2-CD1 3.7Å
460	Q	96.3	Very high	90.7	Very high	8 Å²	8	23.3 Å²	23.3	4%	0.037	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	104.5	176.1	-174.6	-170.2	100	0	0	110.2	R423 A428 W429 D458 M556 N557 W559	R423-Q460 VanDerWaalsContact NH2-OE1 3.11Å; A428-Q460 CarbonylContact O-C 3.45Å; A428-Q460 WeakPolarHBondContact O-CA 3.29Å; W429-Q460 HydrophobicContact CD2-CB 4.2Å; W429-Q460 HydrophobicContact CD2-CG 4.27Å; W429-Q460 HydrophobicContact CE3-CB 3.79Å; W429-Q460 HydrophobicContact CE3-CG 4.35Å; W429-Q460 HydrophobicContact CH2-CB 4.14Å; W429-Q460 HydrophobicContact CH2-CG 4.38Å; W429-Q460 VanDerWaalsContact CH2-NE2 3.29Å; W429-Q460 HydrophobicContact CZ2-CB 4.48Å; W429-Q460 HydrophobicContact CZ2-CG 4.26Å; W429-Q460 HydrophobicContact CZ3-CB 3.76Å; W429-Q460 HydrophobicContact CZ3-CG 4.41Å; D458-Q460 PolarHBondContact O-N 3.37Å; D458-Q460 VanDerWaalsContact O-N 3.12Å; Q460-M556 CarbonylContact O-C 3.54Å; Q460-M556 VanDerWaalsContact O-CA 3.27Å; Q460-M556 WeakPolarHBondContact O-CA 2.83Å; Q460-N557 HydrophobicContact CB-CB 4.43Å; Q460-N557 PolarHBondContact N-O 3.06Å; Q460-N557 PolarHBondContact O-N 3.43Å; Q460-W559 HydrophobicContact CB-CH2 4.24Å; Q460-W559 HydrophobicContact CB-CZ3 3.77Å; Q460-W559 HydrophobicContact CG-CH2 4.49Å; Q460-W559 HydrophobicContact CG-CZ3 4.37Å
461	V	97	Very high	90.2	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	128	172.4	-173.3	0	0	0	0	109.2	I396 A400 S427 A428 L430 L500 W554 V555 M556	I396-V461 HydrophobicContact CG2-CG1 4.37Å; I396-V461 HydrophobicContact CG2-CG2 3.56Å; A400-V461 HydrophobicContact CB-CB 3.73Å; A400-V461 HydrophobicContact CB-CG1 3.65Å; A400-V461 HydrophobicContact CB-CG2 4.03Å; S427-V461 CarbonylContact C-O 3.51Å; S427-V461 WeakPolarHBondContact CA-O 3.27Å; A428-V461 PolarHBondContact N-O 2.85Å; A428-V461 PolarHBondContact O-N 3.09Å; L430-V461 HydrophobicContact CD1-CG2 3.61Å; L430-V461 HydrophobicContact CG-CG2 4.08Å; V461-L500 HydrophobicContact CG1-CD1 4.15Å; V461-W554 HydrophobicContact CG1-CE3 4.03Å; V461-W554 HydrophobicContact CG1-CZ3 4.15Å; V461-V555 CarbonylContact C-O 3.47Å; V461-V555 WeakPolarHBondContact CA-O 3.01Å; V461-M556 HydrophobicContact CG2-CB 4.29Å; V461-M556 HydrophobicContact CG2-CG 4.1Å; V461-M556 HydrophobicContact CG2-SD 4.4Å
462	G	93.4	Very high	89.9	Confident	2 Å²	2	23.5 Å²	23.5	2%	0.021	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	141.8	177.9	0	0	0	0	0	112.1	K426 W554 V555	K426-G462 CarbonylContact O-C 3.57Å; K426-G462 WeakPolarHBondContact O-CA 3Å; G462-W554 WeakPolarHBondContact O-CA 3.24Å; G462-V555 PolarHBondContact N-O 2.87Å; G462-V555 PolarHBondContact O-N 3.28Å
463	N	91.8	Very high	89.7	Confident	28 Å²	28	24.3 Å²	24.3	15%	0.15	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	126.2	168.1	176.6	-99.2	0	0	0	109.9	L404 S425 K426 S552 K553 W554	L404-N463 HydrophobicContact CD1-CB 4.39Å; S425-N463 WeakPolarHBondContact CA-O 3.27Å; S425-N463 WeakPolarHBondContact CB-O 3.35Å; K426-N463 PolarHBondContact N-O 3.19Å; K426-N463 PolarHBondContact O-N 3.34Å; N463-S552 PolarHBondContact ND2-OG 2.91Å; N463-K553 WeakPolarHBondContact CA-O 3.23Å; N463-W554 HydrophobicContact CB-CD2 3.92Å; N463-W554 HydrophobicContact CB-CE3 3.9Å; N463-W554 HydrophobicContact CB-CH2 4.16Å; N463-W554 HydrophobicContact CB-CZ2 4.15Å; N463-W554 HydrophobicContact CB-CZ3 4.03Å; N463-W554 PolarHBondContact ND2-NE1 3.12Å; N463-W554 VanDerWaalsContact ND2-NE1 3.12Å
464	Y	84.9	Confident	89.5	Confident	11 Å²	11	24.9 Å²	24.9	4%	0.043	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107	114.1	172.7	-59.8	-105.6	0	0	0	107.6	A545 K553 V555	Y464-A545 HydrophobicContact CE1-CB 4.46Å; Y464-K553 HydrophobicContact CD2-CD 4.34Å; Y464-K553 HydrophobicContact CD2-CG 4.35Å; Y464-K553 PolarHBondContact N-O 3Å; Y464-K553 PolarHBondContact O-N 2.92Å; Y464-K553 VanDerWaalsContact O-N 3.1Å; Y464-V555 HydrophobicContact CD2-CG2 4.38Å; Y464-V555 HydrophobicContact CE2-CG2 3.73Å
465	G	77.6	Confident	89.4	Confident	32 Å²	32	19.3 Å²	19.3	33%	0.33	11%	0.111	S	C	.	.			trans	-91.1	-145.6	174	0	0	0	0	0	112	G467 G468	G465-G467 PolarHBondContact O-N 3.39Å; G465-G467 VanDerWaalsContact O-N 3.16Å; G465-G468 PolarHBondContact O-N 2.89Å
466	L	80.6	Confident	89.3	Confident	25 Å²	25	19 Å²	19	13%	0.131	11%	0.108	C	C	.	.	T	Hydrogen-bonded Turn	trans	-48.1	114.2	-178.1	174.9	51.2	0	0	0	113.2	P92 A95 A166 A169 L173 G468	P92-L466 HydrophobicContact CB-CD1 3.24Å; A95-L466 HydrophobicContact CB-CB 4.26Å; A95-L466 HydrophobicContact CB-CD2 3.82Å; A95-L466 HydrophobicContact CB-CG 4.44Å; A166-L466 HydrophobicContact CB-CD2 3.63Å; A169-L466 HydrophobicContact CB-CD1 4.18Å; A169-L466 HydrophobicContact CB-CD2 4.32Å; A169-L466 HydrophobicContact CB-CG 3.64Å; A169-L466 VanDerWaalsContact CB-O 3.29Å; A169-L466 WeakPolarHBondContact CB-O 3.41Å; L173-L466 HydrophobicContact CD1-CD1 4.21Å; L466-G468 PolarHBondContact O-N 3.42Å
467	G	78.5	Confident	88.8	Confident	0 Å²	0	18.8 Å²	18.8	0%	0	11%	0.108	C	C	.	.	T	Hydrogen-bonded Turn	trans	55	21.1	-179.5	0	0	0	0	0	114	R172 G465 H469	R172-G467 PolarHBondContact NH1-O 3.37Å; G465-G467 PolarHBondContact O-N 3.39Å; G465-G467 VanDerWaalsContact O-N 3.16Å; G467-H469 PolarHBondContact O-N 3.34Å
468	G	81.8	Confident	88.1	Confident	1 Å²	1	20.2 Å²	20.2	1%	0.01	11%	0.112	C	C	.	.			trans	-64.4	125.8	179.4	0	0	0	0	0	109.9	T424 G465 L466 P547 V548	T424-G468 WeakPolarHBondContact O-CA 3.13Å; G465-G468 PolarHBondContact O-N 2.89Å; L466-G468 PolarHBondContact O-N 3.42Å; G468-P547 WeakPolarHBondContact O-CA 3.4Å; G468-V548 PolarHBondContact O-N 3.42Å
469	H	83.5	Confident	86.9	Confident	18 Å²	18	23.8 Å²	23.8	8%	0.083	12%	0.124	C	C	.	.			trans	-141.1	172.3	-177.4	78.6	-65.8	0	0	0	110	R172 F421 Y422 T424 G467 A545 P547	R172-H469 WeakPolarHBondContact CD-ND1 3.46Å; R172-H469 PolarHBondContact NE-CE1 3.28Å; R172-H469 PolarHBondContact NE-ND1 2.61Å; F421-H469 PolarHBondContact O-CE1 3.44Å; Y422-H469 PolarHBondContact O-NE2 3.37Å; T424-H469 PolarHBondContact N-O 2.94Å; G467-H469 PolarHBondContact O-N 3.34Å; H469-A545 WeakPolarHBondContact CB-O 3.16Å; H469-P547 HydrophobicContact CB-CB 4.13Å; H469-P547 HydrophobicContact CB-CG 3.88Å
470	Y	78.4	Confident	85.5	Confident	42 Å²	42	32.1 Å²	32.1	17%	0.165	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	118.7	166	-168.8	-171.3	0	0	0	108.4	R423 H473 A544 A545	R423-Y470 HydrophobicContact CB-CD2 3.88Å; R423-Y470 HydrophobicContact CB-CE2 4.24Å; R423-Y470 HydrophobicContact CG-CD2 3.9Å; R423-Y470 HydrophobicContact CG-CE2 4.33Å; R423-Y470 HydrophobicContact CG-CG 4.17Å; Y470-H473 AromaticContact CD1-CE1 3.14Å; Y470-H473 WeakPolarHBondContact CD1-CE1 3.18Å; Y470-H473 AromaticContact CD1-ND1 3.62Å; Y470-H473 AromaticContact CD1-NE2 3.58Å; Y470-H473 AromaticContact CE1-CD2 3.56Å; Y470-H473 AromaticContact CE1-CE1 3.16Å; Y470-H473 WeakPolarHBondContact CE1-CE1 3.43Å; Y470-H473 AromaticContact CE1-CG 3.78Å; Y470-H473 AromaticContact CE1-ND1 3.52Å; Y470-H473 AromaticContact CE1-NE2 3.13Å; Y470-H473 WeakPolarHBondContact CE1-NE2 3.48Å; Y470-H473 AromaticContact CE2-ND1 3.94Å; Y470-H473 AromaticContact CG-CE1 3.8Å; Y470-H473 AromaticContact CG-ND1 3.89Å; Y470-H473 AromaticContact CZ-CD2 3.71Å; Y470-H473 AromaticContact CZ-CE1 3.8Å; Y470-H473 AromaticContact CZ-CG 3.63Å; Y470-H473 AromaticContact CZ-ND1 3.66Å; Y470-H473 AromaticContact CZ-NE2 3.79Å; Y470-A544 WeakPolarHBondContact O-CA 3.48Å; Y470-A544 WeakPolarHBondContact O-CB 3.46Å; Y470-A545 PolarHBondContact N-O 3.3Å; Y470-A545 VanDerWaalsContact N-O 3.11Å; Y470-A545 PolarHBondContact O-N 3.1Å
471	A	86	Confident	84.1	Confident	23 Å²	23	34.8 Å²	34.8	19%	0.19	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-56.2	160.7	179.3	0	0	0	0	0	113.2	Y422 H473	Y422-A471 HydrophobicContact CD2-CB 4.35Å; Y422-A471 HydrophobicContact CG-CB 4.49Å; Y422-A471 PolarHBondContact O-N 3.36Å; A471-H473 PolarHBondContact O-N 3.4Å; A471-H473 PolarHBondContact O-ND1 3.06Å
472	P	91.9	Very high	82.5	Confident	26 Å²	26	42.1 Å²	42.1	17%	0.169	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-53.6	123.6	179.2	-27.5	36.7	0	0	0	113.2	E332 Y336 N512 R542 H543 A544	E332-P472 HydrophobicContact CG-CB 4.39Å; E332-P472 HydrophobicContact CG-CG 4.08Å; E332-P472 VanDerWaalsContact OE1-CB 3.24Å; E332-P472 WeakPolarHBondContact OE1-CB 3.39Å; Y336-P472 HydrophobicContact CD2-CG 4.49Å; Y336-P472 HydrophobicContact CG-CG 4.36Å; P472-N512 VanDerWaalsContact CB-ND2 3.35Å; P472-N512 WeakPolarHBondContact CB-ND2 3.31Å; P472-N512 WeakPolarHBondContact CG-ND2 3.43Å; P472-R542 PolarHBondContact O-NH2 2.85Å; P472-R542 VanDerWaalsContact O-NH2 3.16Å; P472-H543 WeakPolarHBondContact CA-O 3.41Å; P472-A544 HydrophobicContact CB-CB 4.38Å; P472-A544 HydrophobicContact CG-CB 3.97Å
473	H	91.4	Very high	80.9	Confident	22 Å²	22	48.2 Å²	48.2	10%	0.102	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.4	169.9	-177.1	64.9	-72.7	0	0	0	111.5	Y470 A471 D475 R542 H543	Y470-H473 AromaticContact CD1-CE1 3.14Å; Y470-H473 WeakPolarHBondContact CD1-CE1 3.18Å; Y470-H473 AromaticContact CD1-ND1 3.62Å; Y470-H473 AromaticContact CD1-NE2 3.58Å; Y470-H473 AromaticContact CE1-CD2 3.56Å; Y470-H473 AromaticContact CE1-CE1 3.16Å; Y470-H473 WeakPolarHBondContact CE1-CE1 3.43Å; Y470-H473 AromaticContact CE1-CG 3.78Å; Y470-H473 AromaticContact CE1-ND1 3.52Å; Y470-H473 AromaticContact CE1-NE2 3.13Å; Y470-H473 WeakPolarHBondContact CE1-NE2 3.48Å; Y470-H473 AromaticContact CE2-ND1 3.94Å; Y470-H473 AromaticContact CG-CE1 3.8Å; Y470-H473 AromaticContact CG-ND1 3.89Å; Y470-H473 AromaticContact CZ-CD2 3.71Å; Y470-H473 AromaticContact CZ-CE1 3.8Å; Y470-H473 AromaticContact CZ-CG 3.63Å; Y470-H473 AromaticContact CZ-ND1 3.66Å; Y470-H473 AromaticContact CZ-NE2 3.79Å; A471-H473 PolarHBondContact O-N 3.4Å; A471-H473 PolarHBondContact O-ND1 3.06Å; H473-D475 IonicContact NE2-OD1 3.94Å; H473-R542 WeakPolarHBondContact O-CA 3.1Å; H473-H543 AromaticContact CE1-CD2 3.86Å; H473-H543 AromaticContact CE1-NE2 3.57Å; H473-H543 PolarHBondContact N-O 2.89Å; H473-H543 PolarHBondContact ND1-O 3.35Å; H473-H543 AromaticContact NE2-CE1 3.72Å; H473-H543 AromaticContact NE2-NE2 3.35Å; H473-H543 PolarHBondContact NE2-NE2 2.98Å; H473-H543 PolarHBondContact O-N 3Å
474	F	92.2	Very high	79.3	Confident	23 Å²	23	47.8 Å²	47.8	10%	0.101	23%	0.233	C	C	.	.			trans	-106	145.8	165.4	-65.9	-70.6	0	0	0	108.8	F476 R478 L539 R542 D582	F474-F476 HydrophobicContact CB-CD1 4.07Å; F474-F476 HydrophobicContact CB-CE1 3.91Å; F474-F476 HydrophobicContact CB-CE2 4.31Å; F474-F476 HydrophobicContact CB-CG 4.37Å; F474-F476 HydrophobicContact CB-CZ 4.02Å; F474-F476 HydrophobicContact CD1-CD1 4.2Å; F474-F476 AromaticContact CD1-CE1 3.3Å; F474-F476 HydrophobicContact CD1-CE1 3.3Å; F474-F476 HydrophobicContact CD1-CE2 4.39Å; F474-F476 AromaticContact CD1-CZ 3.4Å; F474-F476 HydrophobicContact CD1-CZ 3.4Å; F474-F476 HydrophobicContact CD2-CZ 4.31Å; F474-F476 AromaticContact CE1-CE1 3.97Å; F474-F476 HydrophobicContact CE1-CE1 3.97Å; F474-F476 AromaticContact CE1-CZ 3.82Å; F474-F476 HydrophobicContact CE1-CZ 3.82Å; F474-F476 HydrophobicContact CG-CD1 4.46Å; F474-F476 AromaticContact CG-CE1 3.81Å; F474-F476 HydrophobicContact CG-CE1 3.81Å; F474-F476 HydrophobicContact CG-CE2 4.23Å; F474-F476 AromaticContact CG-CZ 3.65Å; F474-F476 HydrophobicContact CG-CZ 3.65Å; F474-F476 HydrophobicContact CZ-CZ 4.43Å; F474-R478 HydrophobicContact CD2-CG 4.26Å; F474-L539 HydrophobicContact CE1-CD2 4.22Å; F474-L539 WeakPolarHBondContact CE1-O 3.21Å; F474-L539 HydrophobicContact CE2-CD2 4.36Å; F474-L539 HydrophobicContact CZ-CB 4.43Å; F474-L539 HydrophobicContact CZ-CD2 3.78Å; F474-R542 HydrophobicContact CD1-CB 4.01Å; F474-R542 HydrophobicContact CD1-CG 4.4Å; F474-R542 HydrophobicContact CE1-CB 3.35Å; F474-R542 HydrophobicContact CE1-CG 3.94Å; F474-R542 HydrophobicContact CE2-CB 4.45Å; F474-R542 HydrophobicContact CE2-CG 4.21Å; F474-R542 HydrophobicContact CZ-CB 3.62Å; F474-R542 HydrophobicContact CZ-CG 3.84Å; F474-D582 HydrophobicContact CE2-CB 4.35Å; F474-D582 HydrophobicContact CZ-CB 4.41Å
475	D	93	Very high	78	Confident	9 Å²	9	51.4 Å²	51.4	5%	0.048	25%	0.249	C	C	.	.	S	Bend	trans	-79.9	-26.5	169.9	-84.9	-35.2	0	0	0	112	H473 R492 T495 N530 H543 W559	H473-D475 IonicContact NE2-OD1 3.94Å; D475-R492 WeakPolarHBondContact O-CD 3.31Å; D475-R492 IonicContact OD1-NH1 2.68Å; D475-T495 WeakPolarHBondContact OD2-CB 3.41Å; D475-T495 WeakPolarHBondContact OD2-CG2 3.2Å; D475-T495 PolarHBondContact OD2-OG1 2.94Å; D475-N530 WeakPolarHBondContact CB-ND2 3.35Å; D475-H543 IonicContact OD2-CE1 3.04Å; D475-H543 PolarHBondContact OD2-CE1 3.45Å; D475-H543 IonicContact OD2-NE2 2.85Å; D475-W559 PolarHBondContact OD1-NE1 3.32Å; D475-W559 PolarHBondContact OD2-NE1 2.97Å
476	F	90.9	Very high	77.6	Confident	10 Å²	10	54 Å²	54	4%	0.044	25%	0.252	C	S	.	.	S	Bend	trans	-86.1	149.4	174.4	67.1	-96.1	0	0	0	110.9	F474 R478 N491 N530 L531 G537 L539	F474-F476 HydrophobicContact CB-CD1 4.07Å; F474-F476 HydrophobicContact CB-CE1 3.91Å; F474-F476 HydrophobicContact CB-CE2 4.31Å; F474-F476 HydrophobicContact CB-CG 4.37Å; F474-F476 HydrophobicContact CB-CZ 4.02Å; F474-F476 HydrophobicContact CD1-CD1 4.2Å; F474-F476 AromaticContact CD1-CE1 3.3Å; F474-F476 HydrophobicContact CD1-CE1 3.3Å; F474-F476 HydrophobicContact CD1-CE2 4.39Å; F474-F476 AromaticContact CD1-CZ 3.4Å; F474-F476 HydrophobicContact CD1-CZ 3.4Å; F474-F476 HydrophobicContact CD2-CZ 4.31Å; F474-F476 AromaticContact CE1-CE1 3.97Å; F474-F476 HydrophobicContact CE1-CE1 3.97Å; F474-F476 AromaticContact CE1-CZ 3.82Å; F474-F476 HydrophobicContact CE1-CZ 3.82Å; F474-F476 HydrophobicContact CG-CD1 4.46Å; F474-F476 AromaticContact CG-CE1 3.81Å; F474-F476 HydrophobicContact CG-CE1 3.81Å; F474-F476 HydrophobicContact CG-CE2 4.23Å; F474-F476 AromaticContact CG-CZ 3.65Å; F474-F476 HydrophobicContact CG-CZ 3.65Å; F474-F476 HydrophobicContact CZ-CZ 4.43Å; F476-R478 HydrophobicContact CE2-CG 3.95Å; F476-N491 VanDerWaalsContact CA-OD1 3.25Å; F476-N491 WeakPolarHBondContact CA-OD1 3.03Å; F476-N491 WeakPolarHBondContact CB-OD1 3.2Å; F476-N530 HydrophobicContact CB-CB 4.23Å; F476-N530 HydrophobicContact CD1-CB 3.99Å; F476-N530 WeakPolarHBondContact CD1-O 3.24Å; F476-N530 WeakPolarHBondContact CE1-O 3.5Å; F476-L531 HydrophobicContact CB-CD2 3.64Å; F476-L531 HydrophobicContact CD1-CD2 4.35Å; F476-L531 HydrophobicContact CD2-CD2 4.37Å; F476-L531 HydrophobicContact CG-CD2 3.88Å; F476-G537 VanDerWaalsContact CE2-CA 3.48Å; F476-G537 VanDerWaalsContact CZ-CA 3.46Å; F476-L539 HydrophobicContact CZ-CD2 4.19Å
477	G	85.8	Confident	77.1	Confident	12 Å²	12	60.1 Å²	60.1	12%	0.124	29%	0.29	C	S	.	.	P	Polyproline II helix	trans	-76.2	138.3	172.4	0	0	0	0	0	112.1	A484 N491	G477-A484 WeakPolarHBondContact CA-O 3.33Å; G477-N491 PolarHBondContact N-OD1 3.08Å; G477-N491 PolarHBondContact O-ND2 3.5Å
478	R	80.6	Confident	77.3	Confident	69 Å²	69	67 Å²	67	26%	0.26	32%	0.321	S	S	.	.	P	Polyproline II helix	trans	-90.4	144.5	179.3	-65.9	177.4	-71.4	173.6	1.5	110.7	F474 F476 R480 E481 A484 D582	F474-R478 HydrophobicContact CD2-CG 4.26Å; F476-R478 HydrophobicContact CE2-CG 3.95Å; R478-R480 PolarHBondContact O-N 3.16Å; R478-E481 HydrophobicContact CB-CG 4.12Å; R478-E481 IonicContact CZ-OE1 3.19Å; R478-E481 PolarHBondContact N-OE2 3.01Å; R478-E481 IonicContact NE-OE1 3.26Å; R478-E481 PolarHBondContact NE-OE1 3.32Å; R478-E481 IonicContact NH2-OE1 2.72Å; R478-E481 PolarHBondContact NH2-OE1 2.88Å; R478-E481 WeakPolarHBondContact O-CB 3.48Å; R478-E481 PolarHBondContact O-N 3.34Å; R478-A484 WeakPolarHBondContact O-CB 3.41Å; R478-D582 WeakPolarHBondContact CD-OD2 3.37Å; R478-D582 IonicContact CZ-OD2 3.25Å; R478-D582 IonicContact NE-OD2 2.85Å; R478-D582 IonicContact NH1-OD2 2.74Å; R478-D582 PolarHBondContact NH1-OD2 3.03Å
479	K	71.1	Confident	77.6	Confident	138 Å²	138	68 Å²	68	60%	0.6	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.4	-24.9	179	-72.2	174.9	177.2	156.3	0	114.9	F485 E536	K479-F485 HydrophobicContact CG-CE2 4.32Å; K479-F485 HydrophobicContact CG-CZ 4.01Å; K479-E536 WeakPolarHBondContact CE-OE2 3.43Å; K479-E536 IonicContact NZ-OE1 3.54Å; K479-E536 PolarHBondContact NZ-OE1 3.05Å; K479-E536 IonicContact NZ-OE2 3.18Å; K479-E536 PolarHBondContact NZ-OE2 3.23Å
480	R	68.3	Low	77.9	Confident	175 Å²	175	68.1 Å²	68.1	66%	0.66	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.2	-17.5	178.2	-59.3	-179.4	-171.9	169.6	3.7	113	R478 T580 D582	R478-R480 PolarHBondContact O-N 3.16Å; R480-T580 PolarHBondContact NH2-O 3.44Å; R480-D582 IonicContact NH1-OD1 3.63Å
481	E	68.5	Low	78.6	Confident	65 Å²	65	66.5 Å²	66.5	30%	0.304	33%	0.326	S	S	.	.	S	Bend	trans	-82.5	141.4	-178.1	-65.7	167.7	169	0	0	110.9	R478 A484	R478-E481 HydrophobicContact CB-CG 4.12Å; R478-E481 IonicContact CZ-OE1 3.19Å; R478-E481 PolarHBondContact N-OE2 3.01Å; R478-E481 IonicContact NE-OE1 3.26Å; R478-E481 PolarHBondContact NE-OE1 3.32Å; R478-E481 IonicContact NH2-OE1 2.72Å; R478-E481 PolarHBondContact NH2-OE1 2.88Å; R478-E481 WeakPolarHBondContact O-CB 3.48Å; R478-E481 PolarHBondContact O-N 3.34Å; E481-A484 HydrophobicContact CB-CB 3.97Å; E481-A484 WeakPolarHBondContact O-CB 3.45Å; E481-A484 PolarHBondContact O-N 3.33Å
482	K	62.5	Low	79	Confident	154 Å²	154	68 Å²	68	67%	0.67	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.4	133.1	172.9	-72.5	-178.7	-179.3	172.1	0	109.9	A484	K482-A484 PolarHBondContact O-N 3.17Å
483	D	60.2	Low	79.1	Confident	129 Å²	129	67.4 Å²	67.4	69%	0.69	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.6	32.9	-176.3	-40.3	-46.9	0	0	0	113.3	K410 F485	K410-D483 IonicContact NZ-OD2 2.94Å; K410-D483 PolarHBondContact NZ-OD2 3.45Å; D483-F485 PolarHBondContact O-N 3.34Å
484	A	57.7	Low	79.4	Confident	20 Å²	20	66.4 Å²	66.4	17%	0.165	32%	0.317	C	S	.	.			trans	-53.5	-28.7	-176.8	0	0	0	0	0	113.8	G477 R478 E481 K482	G477-A484 WeakPolarHBondContact CA-O 3.33Å; R478-A484 WeakPolarHBondContact O-CB 3.41Å; E481-A484 HydrophobicContact CB-CB 3.97Å; E481-A484 WeakPolarHBondContact O-CB 3.45Å; E481-A484 PolarHBondContact O-N 3.33Å; K482-A484 PolarHBondContact O-N 3.17Å
485	F	58.5	Low	79.8	Confident	86 Å²	86	65.3 Å²	65.3	38%	0.377	31%	0.312	S	S	.	.	S	Bend	trans	-110.1	131.4	-176.2	-53.8	-79.2	0	0	0	109.6	K479 D483 V487 N491	K479-F485 HydrophobicContact CG-CE2 4.32Å; K479-F485 HydrophobicContact CG-CZ 4.01Å; D483-F485 PolarHBondContact O-N 3.34Å; F485-V487 PolarHBondContact O-N 3.07Å; F485-N491 HydrophobicContact CD1-CB 3.79Å; F485-N491 HydrophobicContact CE1-CB 4.02Å; F485-N491 VanDerWaalsContact CE1-ND2 3.26Å; F485-N491 WeakPolarHBondContact CE1-ND2 3.5Å
486	E	68.2	Low	80	Confident	86 Å²	86	64.9 Å²	64.9	40%	0.402	31%	0.31	S	S	.	.	B	Isolated β-bridge	trans	-63	112.2	165	-166.3	-163.2	163.3	0	0	107.8	K488 N489 G490 H561	E486-K488 PolarHBondContact O-N 3.39Å; E486-N489 PolarHBondContact O-N 3.2Å; E486-N489 PolarHBondContact OE1-ND2 3.1Å; E486-N489 WeakPolarHBondContact OE2-CB 3.32Å; E486-N489 PolarHBondContact OE2-ND2 3.04Å; E486-G490 PolarHBondContact O-N 3.21Å; E486-H561 IonicContact OE2-CE1 2.69Å; E486-H561 PolarHBondContact OE2-CE1 3.39Å; E486-H561 IonicContact OE2-ND1 2.89Å; E486-H561 IonicContact OE2-NE2 3.41Å
487	V	71.1	Confident	80.4	Confident	154 Å²	154	65 Å²	65	93%	0.933	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.4	-32.4	-171.4	-179.9	0	0	0	0	112.6	F485	F485-V487 PolarHBondContact O-N 3.07Å
488	K	82.2	Confident	81	Confident	146 Å²	146	64.6 Å²	64.6	64%	0.635	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.9	-35.2	-173.8	-173	-178.4	173.6	-168.9	0	114.5	E486 R563	E486-K488 PolarHBondContact O-N 3.39Å; K488-R563 WeakPolarHBondContact O-CD 3.46Å; K488-R563 PolarHBondContact O-NH1 3.5Å
489	N	88.6	Confident	81.8	Confident	21 Å²	21	61.3 Å²	61.3	11%	0.112	29%	0.293	C	S	.	.	T	Hydrogen-bonded Turn	trans	-117.4	-11.2	-168.9	-59	-33.9	0	0	0	113.6	E486 H561 R563	E486-N489 PolarHBondContact O-N 3.2Å; E486-N489 PolarHBondContact OE1-ND2 3.1Å; E486-N489 WeakPolarHBondContact OE2-CB 3.32Å; E486-N489 PolarHBondContact OE2-ND2 3.04Å; N489-H561 HydrophobicContact CB-CB 3.68Å; N489-H561 WeakPolarHBondContact O-CB 3.45Å; N489-R563 WeakPolarHBondContact O-CB 3.49Å; N489-R563 PolarHBondContact O-N 3.39Å
490	G	89.5	Confident	83.1	Confident	20 Å²	20	54.8 Å²	54.8	21%	0.206	27%	0.265	C	S	.	.	B	Isolated β-bridge	trans	84.6	-162.7	-177.1	0	0	0	0	0	112.5	E486 H561	E486-G490 PolarHBondContact O-N 3.21Å; G490-H561 PolarHBondContact O-ND1 2.97Å
491	N	91.8	Very high	84.4	Confident	9 Å²	9	46.9 Å²	46.9	5%	0.048	24%	0.237	C	C	.	.	S	Bend	trans	-79.1	165.1	-177	-147.1	-16.4	0	0	0	112.1	F476 G477 F485 I493 L531 H561 E562	F476-N491 VanDerWaalsContact CA-OD1 3.25Å; F476-N491 WeakPolarHBondContact CA-OD1 3.03Å; F476-N491 WeakPolarHBondContact CB-OD1 3.2Å; G477-N491 PolarHBondContact N-OD1 3.08Å; G477-N491 PolarHBondContact O-ND2 3.5Å; F485-N491 HydrophobicContact CD1-CB 3.79Å; F485-N491 HydrophobicContact CE1-CB 4.02Å; F485-N491 VanDerWaalsContact CE1-ND2 3.26Å; F485-N491 WeakPolarHBondContact CE1-ND2 3.5Å; N491-I493 PolarHBondContact O-N 2.95Å; N491-L531 HydrophobicContact CB-CD1 4.04Å; N491-L531 HydrophobicContact CB-CD2 4.45Å; N491-H561 CarbonylContact O-C 3.59Å; N491-H561 VanDerWaalsContact O-CA 3.29Å; N491-H561 WeakPolarHBondContact O-CA 3.41Å; N491-E562 HydrophobicContact CB-CG 4.46Å; N491-E562 VanDerWaalsContact CB-OE2 3.31Å; N491-E562 WeakPolarHBondContact CB-OE2 3.46Å; N491-E562 PolarHBondContact N-OE2 2.92Å; N491-E562 PolarHBondContact O-N 3.41Å
492	R	94.4	Very high	85.5	Confident	54 Å²	54	48.4 Å²	48.4	20%	0.204	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.4	107	173.9	-70.8	165.2	160.9	-166.4	-3.1	109.4	E457 D475 N530 W559 F560	E457-R492 IonicContact OE1-CZ 3.93Å; E457-R492 IonicContact OE1-NE 3.69Å; E457-R492 PolarHBondContact OE1-NE 2.97Å; E457-R492 IonicContact OE1-NH2 3.88Å; E457-R492 PolarHBondContact OE1-NH2 3.27Å; E457-R492 IonicContact OE2-CZ 2.93Å; E457-R492 IonicContact OE2-NE 3.48Å; E457-R492 IonicContact OE2-NH2 3.51Å; E457-R492 PolarHBondContact OE2-NH2 3.18Å; D475-R492 WeakPolarHBondContact O-CD 3.31Å; D475-R492 IonicContact OD1-NH1 2.68Å; R492-N530 WeakPolarHBondContact O-CB 3.24Å; R492-N530 PolarHBondContact O-ND2 3.4Å; R492-W559 HydrophobicContact CB-CB 4.45Å; R492-W559 HydrophobicContact CG-CB 3.88Å; R492-W559 HydrophobicContact CG-CG 4.33Å; R492-W559 VanDerWaalsContact CZ-CD2 3.44Å; R492-W559 VanDerWaalsContact NH2-CE3 3.33Å; R492-F560 CarbonylContact C-O 3.34Å; R492-F560 WeakPolarHBondContact CA-O 3.35Å
493	I	95.5	Very high	86.9	Confident	14 Å²	14	42 Å²	42	7%	0.072	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.3	-30.9	-174.9	-167.3	167.4	0	0	0	113.8	N491 N530 L531 F560 E562 Q565 R569	N491-I493 PolarHBondContact O-N 2.95Å; I493-N530 PolarHBondContact O-N 3.48Å; I493-L531 HydrophobicContact CB-CD1 4.06Å; I493-L531 HydrophobicContact CG1-CB 4.44Å; I493-L531 HydrophobicContact CG1-CD1 4.12Å; I493-L531 PolarHBondContact O-N 2.64Å; I493-F560 HydrophobicContact CG2-CB 3.78Å; I493-F560 WeakPolarHBondContact CG2-O 3.36Å; I493-F560 PolarHBondContact N-O 2.8Å; I493-E562 HydrophobicContact CB-CG 4.06Å; I493-E562 HydrophobicContact CD1-CG 4.36Å; I493-E562 HydrophobicContact CG1-CG 4.5Å; I493-Q565 HydrophobicContact CD1-CB 4.37Å; I493-Q565 HydrophobicContact CG2-CG 4.23Å; I493-R569 PolarHBondContact O-NH1 3.23Å
494	A	98	Very high	88.3	Confident	0 Å²	0	41.1 Å²	41.1	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.4	156.5	-177.6	0	0	0	0	0	111.1	L451 F527 W528 F529 N530 F560	L451-A494 HydrophobicContact CD1-CB 3.8Å; A494-F527 HydrophobicContact CB-CE2 3.86Å; A494-F527 HydrophobicContact CB-CZ 4.01Å; A494-W528 WeakPolarHBondContact CA-O 3.22Å; A494-F529 HydrophobicContact CB-CD1 3.62Å; A494-F529 HydrophobicContact CB-CE1 3.93Å; A494-N530 VanDerWaalsContact C-ND2 3.32Å; A494-F560 HydrophobicContact CB-CB 4.3Å; A494-F560 HydrophobicContact CB-CD2 3.87Å; A494-F560 HydrophobicContact CB-CG 4.38Å; A494-F560 PolarHBondContact O-N 3.18Å
495	T	98.6	Very high	89.9	Confident	1 Å²	1	40.9 Å²	40.9	1%	0.006	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	135.4	174.4	-60.4	0	0	0	0	109.5	D475 F527 W528 N530 W559	D475-T495 WeakPolarHBondContact OD2-CB 3.41Å; D475-T495 WeakPolarHBondContact OD2-CG2 3.2Å; D475-T495 PolarHBondContact OD2-OG1 2.94Å; T495-F527 WeakPolarHBondContact O-CA 3.44Å; T495-F527 WeakPolarHBondContact O-CD2 3.3Å; T495-W528 HydrophobicContact CG2-CH2 3.62Å; T495-W528 HydrophobicContact CG2-CZ2 3.44Å; T495-W528 VanDerWaalsContact CG2-CZ2 3.44Å; T495-W528 HydrophobicContact CG2-CZ3 4.38Å; T495-W528 PolarHBondContact N-O 3.36Å; T495-W528 PolarHBondContact O-N 3.28Å; T495-N530 PolarHBondContact OG1-ND2 3.29Å; T495-N530 PolarHBondContact OG1-OD1 3.05Å; T495-W559 VanDerWaalsContact OG1-CD1 3.23Å
496	I	98.7	Very high	91.5	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	133.1	162.2	-168.6	171.7	0	0	0	109.2	W384 L387 I445 T449 F498 A525 G526 F527 N557 L558 F560	W384-I496 HydrophobicContact CE3-CD1 4.16Å; W384-I496 HydrophobicContact CZ3-CD1 3.86Å; L387-I496 HydrophobicContact CD2-CD1 4.34Å; I445-I496 HydrophobicContact CG1-CD1 4.34Å; I445-I496 HydrophobicContact CG2-CD1 4.43Å; I445-I496 HydrophobicContact CG2-CG2 4.25Å; T449-I496 HydrophobicContact CG2-CD1 4.38Å; I496-F498 HydrophobicContact CD1-CD2 4.49Å; I496-F498 HydrophobicContact CD1-CE2 3.59Å; I496-F498 HydrophobicContact CD1-CZ 3.8Å; I496-F498 HydrophobicContact CG1-CD2 4.34Å; I496-F498 HydrophobicContact CG1-CE2 3.88Å; I496-F498 HydrophobicContact CG1-CZ 4.48Å; I496-F498 HydrophobicContact CG2-CE2 4.29Å; I496-A525 HydrophobicContact CD1-CB 4.17Å; I496-A525 HydrophobicContact CG1-CB 4.08Å; I496-G526 WeakPolarHBondContact CA-O 3.34Å; I496-F527 HydrophobicContact CB-CD2 4.08Å; I496-N557 CarbonylContact O-C 3.6Å; I496-N557 WeakPolarHBondContact O-CA 3.24Å; I496-L558 HydrophobicContact CG2-CB 3.7Å; I496-L558 HydrophobicContact CG2-CD2 4.09Å; I496-L558 HydrophobicContact CG2-CG 4.47Å; I496-L558 PolarHBondContact N-O 2.93Å; I496-L558 PolarHBondContact O-N 3.21Å; I496-F560 HydrophobicContact CB-CE2 4.33Å; I496-F560 HydrophobicContact CG2-CE2 3.89Å; I496-F560 HydrophobicContact CG2-CZ 4.39Å
497	I	98.5	Very high	92.8	Very high	12 Å²	12	33.5 Å²	33.5	6%	0.062	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	117.2	176.8	-177.7	169.7	0	0	0	109.5	Y499 A525 G526 W528 V555 N557	I497-Y499 HydrophobicContact CD1-CE1 4.35Å; I497-Y499 HydrophobicContact CG2-CE2 4.43Å; I497-A525 CarbonylContact O-C 3.54Å; I497-A525 WeakPolarHBondContact O-CA 3.45Å; I497-G526 PolarHBondContact N-O 3.28Å; I497-G526 PolarHBondContact O-N 3.18Å; I497-W528 HydrophobicContact CG2-CH2 3.93Å; I497-W528 HydrophobicContact CG2-CZ3 3.65Å; I497-V555 HydrophobicContact CD1-CB 4.12Å; I497-V555 HydrophobicContact CD1-CG1 4.06Å; I497-V555 HydrophobicContact CD1-CG2 4.44Å; I497-V555 HydrophobicContact CG1-CB 4.07Å; I497-V555 HydrophobicContact CG1-CG1 4.3Å; I497-N557 WeakPolarHBondContact CB-OD1 3.34Å; I497-N557 VanDerWaalsContact CD1-OD1 3.32Å; I497-N557 WeakPolarHBondContact CD1-OD1 3.47Å; I497-N557 WeakPolarHBondContact CG1-OD1 3.25Å
498	F	98.7	Very high	94	Very high	3 Å²	3	26.1 Å²	26.1	1%	0.013	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	139.9	170.9	-71	-98.2	0	0	0	110.4	L387 I388 I445 I496 L500 A524 A525 V555 M556	L387-F498 HydrophobicContact CB-CE1 4.18Å; L387-F498 HydrophobicContact CD2-CE1 3.65Å; L387-F498 HydrophobicContact CD2-CZ 3.77Å; L387-F498 HydrophobicContact CG-CE1 3.92Å; L387-F498 HydrophobicContact CG-CZ 4.36Å; I388-F498 HydrophobicContact CB-CD1 3.91Å; I388-F498 HydrophobicContact CB-CE1 4.1Å; I388-F498 HydrophobicContact CG2-CD1 3.72Å; I388-F498 HydrophobicContact CG2-CE1 4.38Å; I445-F498 HydrophobicContact CD1-CE2 3.5Å; I445-F498 HydrophobicContact CD1-CZ 3.92Å; I445-F498 HydrophobicContact CG1-CE2 3.62Å; I445-F498 HydrophobicContact CG1-CZ 3.56Å; I496-F498 HydrophobicContact CD1-CD2 4.49Å; I496-F498 HydrophobicContact CD1-CE2 3.59Å; I496-F498 HydrophobicContact CD1-CZ 3.8Å; I496-F498 HydrophobicContact CG1-CD2 4.34Å; I496-F498 HydrophobicContact CG1-CE2 3.88Å; I496-F498 HydrophobicContact CG1-CZ 4.48Å; I496-F498 HydrophobicContact CG2-CE2 4.29Å; F498-L500 HydrophobicContact CB-CD2 4.16Å; F498-A524 WeakPolarHBondContact CA-O 3.36Å; F498-A525 HydrophobicContact CD1-CB 3.75Å; F498-A525 HydrophobicContact CD2-CB 4.37Å; F498-A525 HydrophobicContact CE1-CB 3.82Å; F498-A525 HydrophobicContact CE2-CB 4.4Å; F498-A525 HydrophobicContact CG-CB 4.05Å; F498-A525 HydrophobicContact CZ-CB 4.14Å; F498-V555 CarbonylContact O-C 3.44Å; F498-V555 WeakPolarHBondContact O-CA 3.44Å; F498-V555 WeakPolarHBondContact O-CB 3.23Å; F498-M556 HydrophobicContact CB-CB 4.27Å; F498-M556 HydrophobicContact CB-CE 4.1Å; F498-M556 HydrophobicContact CD1-CE 4.48Å; F498-M556 HydrophobicContact CD2-CE 3.56Å; F498-M556 HydrophobicContact CE2-CE 4.09Å; F498-M556 HydrophobicContact CG-CE 3.8Å; F498-M556 PolarHBondContact N-O 3.28Å; F498-M556 PolarHBondContact O-N 3.4Å
499	Y	98.4	Very high	94.7	Very high	1 Å²	1	19.4 Å²	19.4	0%	0.004	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	113.4	171.5	-61.5	-76.7	0	0	0	109.3	M383 I497 T509 V518 P520 K521 K522 G523 A524 V555	M383-Y499 HydrophobicContact CE-CD2 4.01Å; M383-Y499 HydrophobicContact CE-CE2 3.82Å; M383-Y499 HydrophobicContact SD-CE2 3.96Å; I497-Y499 HydrophobicContact CD1-CE1 4.35Å; I497-Y499 HydrophobicContact CG2-CE2 4.43Å; Y499-T509 PolarHBondContact OH-OG1 3.46Å; Y499-V518 HydrophobicContact CE2-CG1 4.16Å; Y499-V518 WeakPolarHBondContact OH-CG1 3.4Å; Y499-P520 HydrophobicContact CD1-CB 3.45Å; Y499-P520 VanDerWaalsContact CD1-CB 3.45Å; Y499-P520 HydrophobicContact CD1-CG 4.05Å; Y499-P520 HydrophobicContact CE1-CB 3.74Å; Y499-P520 HydrophobicContact CE1-CG 3.83Å; Y499-P520 HydrophobicContact CG-CB 4.05Å; Y499-K521 VanDerWaalsContact CB-O 3.28Å; Y499-K521 WeakPolarHBondContact CB-O 3.45Å; Y499-K522 CarbonylContact O-C 3.48Å; Y499-K522 WeakPolarHBondContact O-CA 3.47Å; Y499-G523 PolarHBondContact O-N 3.01Å; Y499-A524 PolarHBondContact N-O 3.44Å; Y499-V555 HydrophobicContact CD1-CG1 3.87Å; Y499-V555 HydrophobicContact CE1-CG1 4.24Å
500	L	97.8	Very high	95.1	Very high	0 Å²	0	18.4 Å²	18.4	0%	0	10%	0.102	C	C	.	.			trans	-97.6	-3.8	-173.7	-56.4	-175.5	0	0	0	112.7	I388 I393 I396 V461 F498 W554 M556	I388-L500 HydrophobicContact CD1-CD2 3.9Å; I388-L500 HydrophobicContact CG2-CD2 4.43Å; I393-L500 HydrophobicContact CG1-CD2 3.97Å; I393-L500 HydrophobicContact CG2-CB 4.02Å; I393-L500 WeakPolarHBondContact CG2-O 3.16Å; I396-L500 HydrophobicContact CG2-CD1 3.8Å; V461-L500 HydrophobicContact CG1-CD1 4.15Å; F498-L500 HydrophobicContact CB-CD2 4.16Å; L500-W554 HydrophobicContact CB-CB 3.73Å; L500-W554 PolarHBondContact N-O 2.95Å; L500-M556 HydrophobicContact CD1-CB 3.95Å; L500-M556 HydrophobicContact CD2-CB 4.5Å; L500-M556 HydrophobicContact CG-CB 4.33Å
501	S	94.6	Very high	95.4	Very high	10 Å²	10	17.4 Å²	17.4	7%	0.07	9%	0.093	C	C	.	.	S	Bend	trans	-142.5	157.3	170.2	58.1	0	0	0	0	110.1	S552 W554	S501-S552 WeakPolarHBondContact CB-O 3.45Å; S501-S552 PolarHBondContact OG-O 2.95Å; S501-W554 PolarHBondContact OG-N 2.76Å
502	D	92.2	Very high	95.5	Very high	97 Å²	97	17.2 Å²	17.2	52%	0.519	9%	0.091	S	C	.	.			trans	-77.4	147.4	162.6	-65.7	-57.7	0	0	0	108.2	K522	D502-K522 HydrophobicContact CB-CB 4.47Å; D502-K522 VanDerWaalsContact CG-CB 3.44Å; D502-K522 WeakPolarHBondContact OD1-CB 3.49Å; D502-K522 PolarHBondContact OD1-N 3.06Å; D502-K522 VanDerWaalsContact OD2-CB 3.26Å; D502-K522 WeakPolarHBondContact OD2-CB 3.28Å
503	V	91	Very high	95.4	Very high	19 Å²	19	17.3 Å²	17.3	12%	0.115	9%	0.092	C	C	.	.			trans	-116.7	118.4	175.8	-179.3	0	0	0	0	106.7	A505 P520 V548 K553	V503-A505 WeakPolarHBondContact CG1-O 3.34Å; V503-A505 PolarHBondContact O-N 3.09Å; V503-P520 HydrophobicContact CB-CB 4.27Å; V503-P520 HydrophobicContact CB-CG 4.33Å; V503-P520 HydrophobicContact CG2-CB 3.87Å; V503-P520 HydrophobicContact CG2-CG 4.04Å; V503-V548 HydrophobicContact CG1-CG1 3.82Å; V503-K553 HydrophobicContact CG2-CB 3.57Å; V503-K553 HydrophobicContact CG2-CD 4.35Å; V503-K553 HydrophobicContact CG2-CG 3.81Å
504	Q	89.7	Confident	95.3	Very high	111 Å²	111	18.1 Å²	18.1	52%	0.519	10%	0.096	S	C	.	.	S	Bend	trans	-64.3	-42.1	-173.6	-172	176.7	11.8	0	0	111.8	L193 A550	L193-Q504 HydrophobicContact CD1-CG 3.91Å; L193-Q504 VanDerWaalsContact CG-NE2 3.26Å; Q504-A550 HydrophobicContact CB-CB 4.27Å; Q504-A550 PolarHBondContact N-O 2.98Å
505	A	91.6	Very high	95.1	Very high	15 Å²	15	18.3 Å²	18.3	12%	0.124	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.1	144.9	174.1	0	0	0	0	0	112.7	I190 V503 L549 A550	I190-A505 HydrophobicContact CD1-CB 3.41Å; I190-A505 VanDerWaalsContact CD1-CB 3.41Å; V503-A505 WeakPolarHBondContact CG1-O 3.34Å; V503-A505 PolarHBondContact O-N 3.09Å; A505-L549 HydrophobicContact CB-CB 4.05Å; A505-L549 HydrophobicContact CB-CD2 4.09Å; A505-L549 HydrophobicContact CB-CG 4.19Å; A505-L549 WeakPolarHBondContact O-CB 3.46Å; A505-L549 PolarHBondContact O-N 3.38Å; A505-A550 HydrophobicContact CB-CB 4.06Å; A505-A550 PolarHBondContact N-O 2.89Å; A505-A550 VanDerWaalsContact N-O 3.11Å; A505-A550 PolarHBondContact O-N 3.03Å; A505-A550 VanDerWaalsContact O-N 3.07Å
506	G	92.8	Very high	95	Very high	16 Å²	16	18.7 Å²	18.7	17%	0.165	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	74.5	-151.7	-178.4	0	0	0	0	0	113.1	Y177 A508	Y177-G506 WeakPolarHBondContact OH-CA 3.43Å; G506-A508 PolarHBondContact O-N 3.4Å; G506-A508 VanDerWaalsContact O-N 3.12Å
507	G	94.2	Very high	94.9	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	11%	0.111	C	C	.	.			trans	70.4	6.6	172.8	0	0	0	0	0	116.5	P520 C546 P547 K553	G507-P520 WeakPolarHBondContact O-CG 3.28Å; G507-C546 WeakPolarHBondContact CA-O 3.3Å; G507-P547 PolarHBondContact N-O 3.17Å; G507-K553 WeakPolarHBondContact O-CE 3.45Å; G507-K553 PolarHBondContact O-NZ 2.92Å
508	A	96.3	Very high	94.8	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	11%	0.109	C	C	.	.			trans	-59.4	152.6	176.4	0	0	0	0	0	113.2	G506 V510 R517 V518 C546	G506-A508 PolarHBondContact O-N 3.4Å; G506-A508 VanDerWaalsContact O-N 3.12Å; A508-V510 HydrophobicContact CB-CG1 4.35Å; A508-R517 HydrophobicContact CB-CG 3.99Å; A508-V518 CarbonylContact C-O 3.43Å; A508-V518 WeakPolarHBondContact CA-O 3.5Å; A508-C546 HydrophobicContact CB-CB 4.42Å; A508-C546 WeakPolarHBondContact O-CB 3.49Å; A508-C546 PolarHBondContact O-N 3.06Å
509	T	97.2	Very high	94.6	Very high	4 Å²	4	25 Å²	25	3%	0.025	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95	121.5	162.2	-57.6	0	0	0	0	107.7	Y499 F511 V518 H543 A544	Y499-T509 PolarHBondContact OH-OG1 3.46Å; T509-F511 HydrophobicContact CG2-CE2 4.26Å; T509-V518 PolarHBondContact N-O 2.51Å; T509-V518 PolarHBondContact O-N 3.25Å; T509-H543 HydrophobicContact CG2-CB 4.27Å; T509-A544 CarbonylContact C-O 3.58Å; T509-A544 VanDerWaalsContact CA-O 3.3Å; T509-A544 WeakPolarHBondContact CA-O 3.38Å
510	V	97.4	Very high	94.5	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	140.4	-177.2	-67.6	0	0	0	0	110.4	Y336 L339 A508 T516 R517 H543 A544 C546	Y336-V510 HydrophobicContact CD2-CG2 3.82Å; Y336-V510 HydrophobicContact CE2-CG2 4.16Å; L339-V510 HydrophobicContact CB-CB 3.88Å; L339-V510 HydrophobicContact CB-CG1 3.85Å; L339-V510 HydrophobicContact CB-CG2 4.19Å; L339-V510 HydrophobicContact CD1-CB 4.25Å; A508-V510 HydrophobicContact CB-CG1 4.35Å; V510-T516 WeakPolarHBondContact CA-O 3.39Å; V510-R517 HydrophobicContact CG1-CB 4.33Å; V510-R517 HydrophobicContact CG1-CG 4.04Å; V510-H543 CarbonylContact O-C 3.55Å; V510-H543 WeakPolarHBondContact O-CA 3.49Å; V510-H543 VanDerWaalsContact O-CB 3.23Å; V510-H543 WeakPolarHBondContact O-CB 3.29Å; V510-A544 HydrophobicContact CG2-CB 4.17Å; V510-A544 PolarHBondContact N-O 3.44Å; V510-A544 PolarHBondContact O-N 2.7Å; V510-C546 VanDerWaalsContact CG1-SG 3.59Å
511	F	96.9	Very high	94.5	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	107.3	179.4	-71.8	-98.1	0	0	0	109.9	I381 T509 R513 I514 G515 T516 V518 W528 R542 H543	I381-F511 HydrophobicContact CD1-CD1 3.8Å; I381-F511 HydrophobicContact CD1-CD2 3.84Å; I381-F511 HydrophobicContact CD1-CE1 3.8Å; I381-F511 HydrophobicContact CD1-CE2 3.84Å; I381-F511 HydrophobicContact CD1-CG 3.82Å; I381-F511 HydrophobicContact CD1-CZ 3.83Å; I381-F511 HydrophobicContact CG1-CE1 4.47Å; I381-F511 HydrophobicContact CG1-CZ 4.31Å; I381-F511 HydrophobicContact CG2-CE2 4.14Å; I381-F511 HydrophobicContact CG2-CZ 4.36Å; T509-F511 HydrophobicContact CG2-CE2 4.26Å; F511-R513 VanDerWaalsContact C-N 3.27Å; F511-R513 PolarHBondContact O-N 2.9Å; F511-I514 HydrophobicContact CB-CD1 3.99Å; F511-I514 HydrophobicContact CB-CG1 3.59Å; F511-I514 HydrophobicContact CG-CD1 4.39Å; F511-I514 HydrophobicContact CG-CG1 4.5Å; F511-I514 PolarHBondContact O-N 2.94Å; F511-G515 WeakPolarHBondContact O-CA 3.43Å; F511-G515 PolarHBondContact O-N 2.96Å; F511-T516 HydrophobicContact CD2-CG2 4.33Å; F511-T516 PolarHBondContact N-O 3.41Å; F511-V518 HydrophobicContact CD2-CG2 4.41Å; F511-V518 HydrophobicContact CE2-CG2 3.82Å; F511-W528 HydrophobicContact CE1-CD2 4.18Å; F511-W528 HydrophobicContact CE1-CG 4.25Å; F511-W528 AromaticContact CZ-CD2 3.74Å; F511-W528 HydrophobicContact CZ-CD2 3.74Å; F511-W528 AromaticContact CZ-CE2 3.99Å; F511-W528 AromaticContact CZ-CE3 3.88Å; F511-W528 HydrophobicContact CZ-CE3 3.88Å; F511-W528 HydrophobicContact CZ-CG 4.17Å; F511-W528 HydrophobicContact CZ-CH2 4.48Å; F511-W528 HydrophobicContact CZ-CZ2 4.36Å; F511-W528 HydrophobicContact CZ-CZ3 4.24Å; F511-R542 CarbonylContact C-O 3.55Å; F511-R542 WeakPolarHBondContact CA-O 3.47Å; F511-H543 HydrophobicContact CD1-CB 3.76Å; F511-H543 HydrophobicContact CD2-CB 4.42Å; F511-H543 HydrophobicContact CE1-CB 3.84Å; F511-H543 HydrophobicContact CE2-CB 4.49Å; F511-H543 HydrophobicContact CG-CB 4.07Å; F511-H543 HydrophobicContact CZ-CB 4.21Å
512	N	92.6	Very high	94.7	Very high	4 Å²	4	33 Å²	33	2%	0.021	17%	0.167	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.7	-16.4	-162.5	-72.3	22.1	0	0	0	114.6	L335 F346 P472 R542	L335-N512 VanDerWaalsContact CD2-O 3.27Å; L335-N512 WeakPolarHBondContact CD2-O 3.46Å; F346-N512 WeakPolarHBondContact CZ-O 3.46Å; P472-N512 VanDerWaalsContact CB-ND2 3.35Å; P472-N512 WeakPolarHBondContact CB-ND2 3.31Å; P472-N512 WeakPolarHBondContact CG-ND2 3.43Å; N512-R542 PolarHBondContact N-O 3.31Å
513	R	92.2	Very high	95	Very high	57 Å²	57	28.6 Å²	28.6	22%	0.215	15%	0.145	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.1	-9.7	179.7	-66.1	-166.2	87.1	-147.1	8.7	114.6	F346 F511 L539 R542 E579	F346-R513 VanDerWaalsContact CE1-C 3.44Å; F346-R513 WeakPolarHBondContact CE1-O 3.28Å; F511-R513 VanDerWaalsContact C-N 3.27Å; F511-R513 PolarHBondContact O-N 2.9Å; R513-L539 WeakPolarHBondContact CD-O 3.17Å; R513-R542 HydrophobicContact CG-CB 4.48Å; R513-E579 IonicContact CZ-OE1 3.77Å; R513-E579 IonicContact CZ-OE2 3.82Å; R513-E579 IonicContact NH1-OE1 2.65Å; R513-E579 PolarHBondContact NH1-OE1 3.4Å; R513-E579 IonicContact NH1-OE2 3.33Å; R513-E579 PolarHBondContact NH1-OE2 3.38Å; R513-E579 IonicContact NH2-OE1 3.15Å; R513-E579 PolarHBondContact NH2-OE1 3.43Å; R513-E579 IonicContact NH2-OE2 2.64Å
514	I	93.9	Very high	95.3	Very high	30 Å²	30	27.7 Å²	27.7	15%	0.154	14%	0.139	C	C	.	.	T	Hydrogen-bonded Turn	trans	-133.8	-4.5	-174.8	58.3	173.8	0	0	0	113.2	P379 I381 F511 T516 R540	P379-I514 HydrophobicContact CG-CD1 3.86Å; I381-I514 HydrophobicContact CD1-CD1 3.58Å; F511-I514 HydrophobicContact CB-CD1 3.99Å; F511-I514 HydrophobicContact CB-CG1 3.59Å; F511-I514 HydrophobicContact CG-CD1 4.39Å; F511-I514 HydrophobicContact CG-CG1 4.5Å; F511-I514 PolarHBondContact O-N 2.94Å; I514-T516 WeakPolarHBondContact CD1-OG1 3.46Å; I514-T516 PolarHBondContact O-N 2.62Å; I514-T516 VanDerWaalsContact O-N 3.16Å; I514-R540 HydrophobicContact CG2-CB 3.79Å; I514-R540 HydrophobicContact CG2-CG 4.11Å
515	G	94.5	Very high	95.8	Very high	4 Å²	4	22.4 Å²	22.4	4%	0.041	11%	0.114	C	C	.	.			trans	68.6	10.2	177.3	0	0	0	0	0	114.9	N344 F346 F511 R517	N344-G515 PolarHBondContact ND2-O 3.18Å; F346-G515 VanDerWaalsContact CD2-N 3.31Å; F511-G515 WeakPolarHBondContact O-CA 3.43Å; F511-G515 PolarHBondContact O-N 2.96Å; G515-R517 PolarHBondContact O-N 3.02Å
516	T	95.9	Very high	96.1	Very high	10 Å²	10	21.7 Å²	21.7	6%	0.061	11%	0.109	C	C	.	.			trans	-67.1	131.1	175.5	-53.1	0	0	0	0	109.6	L375 N376 I381 V510 F511 I514	L375-T516 HydrophobicContact CB-CG2 4.02Å; N376-T516 HydrophobicContact CB-CG2 4.04Å; N376-T516 WeakPolarHBondContact CB-OG1 3.48Å; I381-T516 HydrophobicContact CB-CG2 4.41Å; I381-T516 HydrophobicContact CD1-CG2 3.93Å; I381-T516 HydrophobicContact CG2-CG2 4.2Å; V510-T516 WeakPolarHBondContact CA-O 3.39Å; F511-T516 HydrophobicContact CD2-CG2 4.33Å; F511-T516 PolarHBondContact N-O 3.41Å; I514-T516 WeakPolarHBondContact CD1-OG1 3.46Å; I514-T516 PolarHBondContact O-N 2.62Å; I514-T516 VanDerWaalsContact O-N 3.16Å
517	R	95.7	Very high	96.4	Very high	61 Å²	61	21.1 Å²	21.1	23%	0.23	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	121.2	-179.6	179.3	-179.3	171	101.1	-4.5	109.6	L339 C340 A508 V510 G515 V519	L339-R517 PolarHBondContact O-NH1 3.43Å; C340-R517 VanDerWaalsContact CA-NH1 3.29Å; C340-R517 PolarHBondContact O-NH1 3.18Å; C340-R517 PolarHBondContact O-NH2 3.13Å; A508-R517 HydrophobicContact CB-CG 3.99Å; V510-R517 HydrophobicContact CG1-CB 4.33Å; V510-R517 HydrophobicContact CG1-CG 4.04Å; G515-R517 PolarHBondContact O-N 3.02Å; R517-V519 HydrophobicContact CG-CG2 4.44Å
518	V	96.5	Very high	96.6	Very high	2 Å²	2	21.2 Å²	21.2	1%	0.012	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	110.7	178.4	-170.4	0	0	0	0	108.6	L375 I381 M383 Y499 A508 T509 F511	L375-V518 HydrophobicContact CD1-CB 4.18Å; L375-V518 HydrophobicContact CD1-CG1 4.02Å; L375-V518 HydrophobicContact CD1-CG2 3.75Å; I381-V518 HydrophobicContact CG2-CG2 4.11Å; M383-V518 HydrophobicContact CE-CG1 4.26Å; M383-V518 HydrophobicContact CG-CG1 3.92Å; M383-V518 HydrophobicContact SD-CG1 3.39Å; M383-V518 WeakPolarHBondContact SD-CG1 3.4Å; Y499-V518 HydrophobicContact CE2-CG1 4.16Å; Y499-V518 WeakPolarHBondContact OH-CG1 3.4Å; A508-V518 CarbonylContact C-O 3.43Å; A508-V518 WeakPolarHBondContact CA-O 3.5Å; T509-V518 PolarHBondContact N-O 2.51Å; T509-V518 PolarHBondContact O-N 3.25Å; F511-V518 HydrophobicContact CD2-CG2 4.41Å; F511-V518 HydrophobicContact CE2-CG2 3.82Å
519	V	96.3	Very high	96.7	Very high	85 Å²	85	23.3 Å²	23.3	52%	0.515	11%	0.111	S	C	.	.			trans	-86	131.5	-179.8	-178.6	0	0	0	0	109.5	R517 K521	R517-V519 HydrophobicContact CG-CG2 4.44Å; V519-K521 PolarHBondContact O-N 3.13Å
520	P	96.1	Very high	96.6	Very high	9 Å²	9	23.1 Å²	23.1	6%	0.058	11%	0.11	C	C	.	.			trans	-60.8	135.5	178	-23.3	36.3	0	0	0	111.1	Y499 V503 G507 K553	Y499-P520 HydrophobicContact CD1-CB 3.45Å; Y499-P520 VanDerWaalsContact CD1-CB 3.45Å; Y499-P520 HydrophobicContact CD1-CG 4.05Å; Y499-P520 HydrophobicContact CE1-CB 3.74Å; Y499-P520 HydrophobicContact CE1-CG 3.83Å; Y499-P520 HydrophobicContact CG-CB 4.05Å; V503-P520 HydrophobicContact CB-CB 4.27Å; V503-P520 HydrophobicContact CB-CG 4.33Å; V503-P520 HydrophobicContact CG2-CB 3.87Å; V503-P520 HydrophobicContact CG2-CG 4.04Å; G507-P520 WeakPolarHBondContact O-CG 3.28Å; P520-K553 HydrophobicContact CG-CD 4.49Å
521	K	97.6	Very high	96.4	Very high	102 Å²	102	23.2 Å²	23.2	44%	0.443	11%	0.111	S	C	.	.			trans	-142.2	123.4	171.4	-173.4	178	-177.4	177.7	0	109.5	Y385 Y499 V519 G523 A524	Y385-K521 HydrophobicContact CD1-CD 3.71Å; Y385-K521 HydrophobicContact CE1-CD 3.51Å; Y499-K521 VanDerWaalsContact CB-O 3.28Å; Y499-K521 WeakPolarHBondContact CB-O 3.45Å; V519-K521 PolarHBondContact O-N 3.13Å; K521-G523 PolarHBondContact O-N 3.15Å; K521-A524 HydrophobicContact CB-CB 4.16Å; K521-A524 VanDerWaalsContact O-CB 3.23Å; K521-A524 WeakPolarHBondContact O-CB 3.49Å; K521-A524 PolarHBondContact O-N 3.21Å
522	K	97.9	Very high	96.2	Very high	66 Å²	66	25.2 Å²	25.2	29%	0.287	12%	0.121	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.2	133.5	-177.3	-170.2	175	-176.2	176.9	0	110.7	I393 E394 Y499 D502 A524	I393-K522 HydrophobicContact CD1-CD 4.38Å; I393-K522 HydrophobicContact CD1-CG 3.72Å; E394-K522 IonicContact OE1-NZ 3.87Å; Y499-K522 CarbonylContact O-C 3.48Å; Y499-K522 WeakPolarHBondContact O-CA 3.47Å; D502-K522 HydrophobicContact CB-CB 4.47Å; D502-K522 VanDerWaalsContact CG-CB 3.44Å; D502-K522 WeakPolarHBondContact OD1-CB 3.49Å; D502-K522 PolarHBondContact OD1-N 3.06Å; D502-K522 VanDerWaalsContact OD2-CB 3.26Å; D502-K522 WeakPolarHBondContact OD2-CB 3.28Å; K522-A524 PolarHBondContact O-N 2.93Å
523	G	98.4	Very high	96	Very high	5 Å²	5	27.1 Å²	27.1	5%	0.052	13%	0.134	C	C	.	.	T	Hydrogen-bonded Turn	trans	83.9	-10.4	-179.8	0	0	0	0	0	114.6	D386 L387 I388 Y499 K521	D386-G523 CarbonylContact C-O 3.47Å; D386-G523 PolarHBondContact N-O 2.95Å; L387-G523 PolarHBondContact N-O 3.29Å; I388-G523 PolarHBondContact N-O 3.41Å; Y499-G523 PolarHBondContact O-N 3.01Å; K521-G523 PolarHBondContact O-N 3.15Å
524	A	98.6	Very high	95.8	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	13%	0.134	C	C	.	.			trans	-88.7	159.9	177.1	0	0	0	0	0	112.3	M383 W384 Y385 F498 Y499 K521 K522	M383-A524 HydrophobicContact CE-CB 3.52Å; W384-A524 CarbonylContact O-C 3.58Å; W384-A524 WeakPolarHBondContact O-CA 3.24Å; Y385-A524 HydrophobicContact CD1-CB 3.81Å; Y385-A524 HydrophobicContact CE1-CB 4.22Å; F498-A524 WeakPolarHBondContact CA-O 3.36Å; Y499-A524 PolarHBondContact N-O 3.44Å; K521-A524 HydrophobicContact CB-CB 4.16Å; K521-A524 VanDerWaalsContact O-CB 3.23Å; K521-A524 WeakPolarHBondContact O-CB 3.49Å; K521-A524 PolarHBondContact O-N 3.21Å; K522-A524 PolarHBondContact O-N 2.93Å
525	A	98.8	Very high	95.5	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	130.8	172	0	0	0	0	0	111.9	M383 W384 L387 I496 I497 F498	M383-A525 WeakPolarHBondContact CA-O 3.31Å; W384-A525 PolarHBondContact N-O 3.44Å; W384-A525 PolarHBondContact O-N 3.1Å; L387-A525 HydrophobicContact CD2-CB 3.7Å; I496-A525 HydrophobicContact CD1-CB 4.17Å; I496-A525 HydrophobicContact CG1-CB 4.08Å; I497-A525 CarbonylContact O-C 3.54Å; I497-A525 WeakPolarHBondContact O-CA 3.45Å; F498-A525 HydrophobicContact CD1-CB 3.75Å; F498-A525 HydrophobicContact CD2-CB 4.37Å; F498-A525 HydrophobicContact CE1-CB 3.82Å; F498-A525 HydrophobicContact CE2-CB 4.4Å; F498-A525 HydrophobicContact CG-CB 4.05Å; F498-A525 HydrophobicContact CZ-CB 4.14Å
526	G	98.5	Very high	95.3	Very high	1 Å²	1	27.6 Å²	27.6	1%	0.01	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	141.5	167.6	0	0	0	0	0	110.6	V382 M383 I496 I497	V382-G526 WeakPolarHBondContact O-CA 3.44Å; M383-G526 VanDerWaalsContact SD-CA 3.56Å; I496-G526 WeakPolarHBondContact CA-O 3.34Å; I497-G526 PolarHBondContact N-O 3.28Å; I497-G526 PolarHBondContact O-N 3.18Å
527	F	98.7	Very high	95	Very high	3 Å²	3	28 Å²	28	1%	0.013	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	135.7	176.4	176.9	-94.6	0	0	0	111.8	V382 W384 T449 L451 A494 T495 I496 F529 F560	V382-F527 HydrophobicContact CG2-CB 4.03Å; V382-F527 HydrophobicContact CG2-CD1 4.3Å; V382-F527 PolarHBondContact N-O 3.41Å; V382-F527 PolarHBondContact O-N 3.39Å; W384-F527 HydrophobicContact CE3-CB 4.11Å; W384-F527 HydrophobicContact CH2-CB 3.77Å; W384-F527 AromaticContact CH2-CD1 3.82Å; W384-F527 HydrophobicContact CH2-CD1 3.82Å; W384-F527 HydrophobicContact CH2-CD2 4.1Å; W384-F527 HydrophobicContact CH2-CE1 4.44Å; W384-F527 AromaticContact CH2-CG 3.61Å; W384-F527 HydrophobicContact CH2-CG 3.61Å; W384-F527 HydrophobicContact CZ2-CB 4.39Å; W384-F527 HydrophobicContact CZ2-CD1 4.3Å; W384-F527 HydrophobicContact CZ2-CG 4.4Å; W384-F527 HydrophobicContact CZ3-CB 3.61Å; W384-F527 HydrophobicContact CZ3-CD1 4.48Å; W384-F527 HydrophobicContact CZ3-CD2 4.12Å; W384-F527 AromaticContact CZ3-CG 3.82Å; W384-F527 HydrophobicContact CZ3-CG 3.82Å; T449-F527 HydrophobicContact CG2-CD2 3.86Å; T449-F527 HydrophobicContact CG2-CE2 3.62Å; T449-F527 HydrophobicContact CG2-CZ 4.3Å; L451-F527 HydrophobicContact CD1-CE2 4.28Å; L451-F527 HydrophobicContact CD1-CZ 4.18Å; A494-F527 HydrophobicContact CB-CE2 3.86Å; A494-F527 HydrophobicContact CB-CZ 4.01Å; T495-F527 WeakPolarHBondContact O-CA 3.44Å; T495-F527 WeakPolarHBondContact O-CD2 3.3Å; I496-F527 HydrophobicContact CB-CD2 4.08Å; F527-F529 HydrophobicContact CE1-CD2 4.19Å; F527-F529 HydrophobicContact CE1-CE1 4.37Å; F527-F529 AromaticContact CE1-CE2 3.81Å; F527-F529 HydrophobicContact CE1-CE2 3.81Å; F527-F529 AromaticContact CE1-CZ 3.91Å; F527-F529 HydrophobicContact CE1-CZ 3.91Å; F527-F529 HydrophobicContact CZ-CD1 4.31Å; F527-F529 AromaticContact CZ-CE1 3.86Å; F527-F529 HydrophobicContact CZ-CE1 3.86Å; F527-F529 HydrophobicContact CZ-CE2 4.12Å; F527-F529 AromaticContact CZ-CZ 3.75Å; F527-F529 HydrophobicContact CZ-CZ 3.75Å; F527-F560 HydrophobicContact CE2-CE2 4.28Å
528	W	98.5	Very high	94.9	Very high	3 Å²	3	25.6 Å²	25.6	1%	0.011	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.6	161.6	171.5	64.2	93.1	0	0	0	111.1	R380 I381 A494 T495 I497 F511 N530 H543	R380-W528 WeakPolarHBondContact O-CA 3.44Å; I381-W528 HydrophobicContact CG1-CB 3.95Å; A494-W528 WeakPolarHBondContact CA-O 3.22Å; T495-W528 HydrophobicContact CG2-CH2 3.62Å; T495-W528 HydrophobicContact CG2-CZ2 3.44Å; T495-W528 VanDerWaalsContact CG2-CZ2 3.44Å; T495-W528 HydrophobicContact CG2-CZ3 4.38Å; T495-W528 PolarHBondContact N-O 3.36Å; T495-W528 PolarHBondContact O-N 3.28Å; I497-W528 HydrophobicContact CG2-CH2 3.93Å; I497-W528 HydrophobicContact CG2-CZ3 3.65Å; F511-W528 HydrophobicContact CE1-CD2 4.18Å; F511-W528 HydrophobicContact CE1-CG 4.25Å; F511-W528 AromaticContact CZ-CD2 3.74Å; F511-W528 HydrophobicContact CZ-CD2 3.74Å; F511-W528 AromaticContact CZ-CE2 3.99Å; F511-W528 AromaticContact CZ-CE3 3.88Å; F511-W528 HydrophobicContact CZ-CE3 3.88Å; F511-W528 HydrophobicContact CZ-CG 4.17Å; F511-W528 HydrophobicContact CZ-CH2 4.48Å; F511-W528 HydrophobicContact CZ-CZ2 4.36Å; F511-W528 HydrophobicContact CZ-CZ3 4.24Å; W528-N530 VanDerWaalsContact CD1-OD1 3.26Å; W528-N530 PolarHBondContact NE1-OD1 2.85Å; W528-H543 AromaticContact CZ2-CE1 3.65Å; W528-H543 AromaticContact CZ2-NE2 3.7Å
529	F	97.6	Very high	94.7	Very high	43 Å²	43	26.2 Å²	26.2	19%	0.189	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	131.5	170.8	-73.6	-69	0	0	0	110.1	L451 A494 F527 T541 R569	L451-F529 HydrophobicContact CD1-CE1 4.02Å; L451-F529 HydrophobicContact CD2-CE1 4.42Å; A494-F529 HydrophobicContact CB-CD1 3.62Å; A494-F529 HydrophobicContact CB-CE1 3.93Å; F527-F529 HydrophobicContact CE1-CD2 4.19Å; F527-F529 HydrophobicContact CE1-CE1 4.37Å; F527-F529 AromaticContact CE1-CE2 3.81Å; F527-F529 HydrophobicContact CE1-CE2 3.81Å; F527-F529 AromaticContact CE1-CZ 3.91Å; F527-F529 HydrophobicContact CE1-CZ 3.91Å; F527-F529 HydrophobicContact CZ-CD1 4.31Å; F527-F529 AromaticContact CZ-CE1 3.86Å; F527-F529 HydrophobicContact CZ-CE1 3.86Å; F527-F529 HydrophobicContact CZ-CE2 4.12Å; F527-F529 AromaticContact CZ-CZ 3.75Å; F527-F529 HydrophobicContact CZ-CZ 3.75Å; F529-T541 VanDerWaalsContact O-CG2 3.22Å; F529-T541 WeakPolarHBondContact O-CG2 3.49Å; F529-R569 VanDerWaalsContact CB-NH2 3.28Å; F529-R569 VanDerWaalsContact CE1-CD 3.41Å
530	N	96.1	Very high	94.5	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	13%	0.133	C	C	.	.	S	Bend	trans	-82.7	-28.2	-180	-67.8	-31.5	0	0	0	112.3	D475 F476 R492 I493 A494 T495 W528 D538	D475-N530 WeakPolarHBondContact CB-ND2 3.35Å; F476-N530 HydrophobicContact CB-CB 4.23Å; F476-N530 HydrophobicContact CD1-CB 3.99Å; F476-N530 WeakPolarHBondContact CD1-O 3.24Å; F476-N530 WeakPolarHBondContact CE1-O 3.5Å; R492-N530 WeakPolarHBondContact O-CB 3.24Å; R492-N530 PolarHBondContact O-ND2 3.4Å; I493-N530 PolarHBondContact O-N 3.48Å; A494-N530 VanDerWaalsContact C-ND2 3.32Å; T495-N530 PolarHBondContact OG1-ND2 3.29Å; T495-N530 PolarHBondContact OG1-OD1 3.05Å; W528-N530 VanDerWaalsContact CD1-OD1 3.26Å; W528-N530 PolarHBondContact NE1-OD1 2.85Å; N530-D538 PolarHBondContact O-N 2.94Å
531	L	93.5	Very high	94.5	Very high	2 Å²	2	24.7 Å²	24.7	1%	0.01	13%	0.13	C	C	.	.	B	Isolated β-bridge	trans	-111.6	148.1	-178.4	-50.9	177.3	0	0	0	110.4	F476 N491 I493 E536 E562 R569	F476-L531 HydrophobicContact CB-CD2 3.64Å; F476-L531 HydrophobicContact CD1-CD2 4.35Å; F476-L531 HydrophobicContact CD2-CD2 4.37Å; F476-L531 HydrophobicContact CG-CD2 3.88Å; N491-L531 HydrophobicContact CB-CD1 4.04Å; N491-L531 HydrophobicContact CB-CD2 4.45Å; I493-L531 HydrophobicContact CB-CD1 4.06Å; I493-L531 HydrophobicContact CG1-CB 4.44Å; I493-L531 HydrophobicContact CG1-CD1 4.12Å; I493-L531 PolarHBondContact O-N 2.64Å; L531-E536 CarbonylContact C-O 3.5Å; L531-E536 VanDerWaalsContact CA-O 3.26Å; L531-E536 WeakPolarHBondContact CA-O 3.19Å; L531-E562 HydrophobicContact CD1-CG 3.51Å; L531-E562 WeakPolarHBondContact CD1-OE1 3.32Å; L531-R569 VanDerWaalsContact O-CZ 3.27Å; L531-R569 PolarHBondContact O-NH1 3.43Å; L531-R569 PolarHBondContact O-NH2 3.06Å
532	L	92.2	Very high	94.4	Very high	43 Å²	43	20.7 Å²	20.7	23%	0.225	11%	0.112	C	C	.	.			trans	-65.1	161.7	163.5	-65.4	173.5	0	0	0	110.5	N534 G535 E536 D538	L532-N534 VanDerWaalsContact CB-OD1 3.26Å; L532-N534 WeakPolarHBondContact CB-OD1 3.47Å; L532-N534 PolarHBondContact O-N 3.26Å; L532-G535 PolarHBondContact O-N 3.5Å; L532-E536 PolarHBondContact N-O 3.45Å; L532-D538 HydrophobicContact CD2-CB 4.04Å; L532-D538 HydrophobicContact CG-CB 4.06Å
533	P	89.5	Confident	94.3	Very high	43 Å²	43	18.1 Å²	18.1	28%	0.279	10%	0.101	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.8	-20.6	177.6	-26.4	36.1	0	0	0	114.8	G535 C571 E572	P533-G535 VanDerWaalsContact C-N 3.31Å; P533-C571 VanDerWaalsContact O-CA 3.29Å; P533-C571 WeakPolarHBondContact O-CA 3.39Å; P533-C571 WeakPolarHBondContact O-CB 3.2Å; P533-E572 HydrophobicContact CB-CB 4.45Å; P533-E572 HydrophobicContact CB-CG 3.83Å; P533-E572 HydrophobicContact CG-CG 4.07Å
534	N	87.9	Confident	94.1	Very high	41 Å²	41	17.9 Å²	17.9	22%	0.219	10%	0.099	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.1	-0.7	176.4	69.2	1.7	0	0	0	114.1	L532 E536 R575	L532-N534 VanDerWaalsContact CB-OD1 3.26Å; L532-N534 WeakPolarHBondContact CB-OD1 3.47Å; L532-N534 PolarHBondContact O-N 3.26Å; N534-E536 VanDerWaalsContact OD1-CB 3.32Å; N534-E536 WeakPolarHBondContact OD1-CB 3.38Å; N534-E536 PolarHBondContact OD1-N 3.49Å; N534-R575 HydrophobicContact CB-CG 4.08Å; N534-R575 WeakPolarHBondContact CB-O 3.46Å; N534-R575 PolarHBondContact ND2-O 2.84Å
535	G	87.6	Confident	93.9	Very high	27 Å²	27	18.2 Å²	18.2	28%	0.278	10%	0.101	S	C	.	.	S	Bend	trans	86.8	-5.1	-178.1	0	0	0	0	0	115.3	L532 P533	L532-G535 PolarHBondContact O-N 3.5Å; P533-G535 VanDerWaalsContact C-N 3.31Å
536	E	88.5	Confident	93.8	Very high	34 Å²	34	18.2 Å²	18.2	16%	0.159	10%	0.101	C	C	.	.			trans	-76.8	148.1	174.8	-60.4	-70.4	160.4	0	0	110.7	K479 L531 L532 N534 D538 R575 V578	K479-E536 WeakPolarHBondContact CE-OE2 3.43Å; K479-E536 IonicContact NZ-OE1 3.54Å; K479-E536 PolarHBondContact NZ-OE1 3.05Å; K479-E536 IonicContact NZ-OE2 3.18Å; K479-E536 PolarHBondContact NZ-OE2 3.23Å; L531-E536 CarbonylContact C-O 3.5Å; L531-E536 VanDerWaalsContact CA-O 3.26Å; L531-E536 WeakPolarHBondContact CA-O 3.19Å; L532-E536 PolarHBondContact N-O 3.45Å; N534-E536 VanDerWaalsContact OD1-CB 3.32Å; N534-E536 WeakPolarHBondContact OD1-CB 3.38Å; N534-E536 PolarHBondContact OD1-N 3.49Å; E536-D538 PolarHBondContact O-N 2.83Å; E536-R575 IonicContact OE1-NH2 3.28Å; E536-V578 HydrophobicContact CB-CG1 4.35Å; E536-V578 HydrophobicContact CG-CG1 3.85Å; E536-V578 HydrophobicContact CG-CG2 3.93Å
537	G	90.4	Very high	93.6	Very high	17 Å²	17	18.2 Å²	18.2	18%	0.175	10%	0.101	C	C	.	.	B	Isolated β-bridge	trans	-63.6	129.4	176.9	0	0	0	0	0	112.4	F476 L539	F476-G537 VanDerWaalsContact CE2-CA 3.48Å; F476-G537 VanDerWaalsContact CZ-CA 3.46Å; G537-L539 PolarHBondContact O-N 3.17Å
538	D	93	Very high	93.4	Very high	11 Å²	11	18.2 Å²	18.2	6%	0.059	10%	0.101	C	C	.	.			trans	-81.4	101.7	174.4	-170.4	-18.7	0	0	0	109	N530 L532 E536 R540 T541	N530-D538 PolarHBondContact O-N 2.94Å; L532-D538 HydrophobicContact CD2-CB 4.04Å; L532-D538 HydrophobicContact CG-CB 4.06Å; E536-D538 PolarHBondContact O-N 2.83Å; D538-R540 PolarHBondContact O-N 3.34Å; D538-R540 WeakPolarHBondContact OD1-CB 3.17Å; D538-R540 WeakPolarHBondContact OD1-CG 3.36Å; D538-R540 IonicContact OD1-CZ 3.19Å; D538-R540 PolarHBondContact OD1-N 2.94Å; D538-R540 IonicContact OD1-NE 3.46Å; D538-R540 PolarHBondContact OD1-NE 3.46Å; D538-R540 IonicContact OD1-NH2 2.82Å; D538-R540 IonicContact OD2-CZ 2.58Å; D538-R540 IonicContact OD2-NE 3.23Å; D538-R540 PolarHBondContact OD2-NE 3.28Å; D538-R540 IonicContact OD2-NH2 2.9Å; D538-R540 PolarHBondContact OD2-NH2 3.07Å; D538-T541 HydrophobicContact CB-CG2 3.86Å; D538-T541 WeakPolarHBondContact O-CB 3.44Å; D538-T541 PolarHBondContact O-N 3.35Å; D538-T541 PolarHBondContact O-OG1 2.92Å
539	L	92.3	Very high	93.1	Very high	15 Å²	15	18.6 Å²	18.6	8%	0.079	10%	0.103	C	C	.	.	G	3₁₀ helix	trans	-58.2	-22.7	-178.3	-61.6	-175.2	0	0	0	112.7	F474 F476 R513 G537 T541 R542 E579 D581 D582	F474-L539 HydrophobicContact CE1-CD2 4.22Å; F474-L539 WeakPolarHBondContact CE1-O 3.21Å; F474-L539 HydrophobicContact CE2-CD2 4.36Å; F474-L539 HydrophobicContact CZ-CB 4.43Å; F474-L539 HydrophobicContact CZ-CD2 3.78Å; F476-L539 HydrophobicContact CZ-CD2 4.19Å; R513-L539 WeakPolarHBondContact CD-O 3.17Å; G537-L539 PolarHBondContact O-N 3.17Å; L539-T541 PolarHBondContact O-N 2.82Å; L539-R542 PolarHBondContact O-N 3.45Å; L539-E579 HydrophobicContact CD1-CB 3.92Å; L539-E579 HydrophobicContact CD1-CG 3.76Å; L539-D581 WeakPolarHBondContact CD1-O 3.37Å; L539-D582 HydrophobicContact CD1-CB 4.03Å; L539-D582 HydrophobicContact CD2-CB 3.87Å
540	R	93.4	Very high	92.7	Very high	63 Å²	63	16.6 Å²	16.6	24%	0.238	10%	0.095	C	C	.	.	G	3₁₀ helix	trans	-67.4	-15.6	176.5	-58.5	172.8	-63.4	169.7	8.5	112.9	D378 P379 I514 D538 R542	D378-R540 VanDerWaalsContact CG-NH1 3.29Å; D378-R540 IonicContact OD1-CZ 3.84Å; D378-R540 IonicContact OD1-NH1 3.55Å; D378-R540 PolarHBondContact OD1-NH1 2.9Å; D378-R540 IonicContact OD1-NH2 2.69Å; D378-R540 PolarHBondContact OD1-NH2 2.86Å; D378-R540 IonicContact OD2-CZ 2.69Å; D378-R540 IonicContact OD2-NH1 3.39Å; D378-R540 PolarHBondContact OD2-NH1 2.84Å; D378-R540 IonicContact OD2-NH2 3.49Å; P379-R540 HydrophobicContact CG-CB 4Å; I514-R540 HydrophobicContact CG2-CB 3.79Å; I514-R540 HydrophobicContact CG2-CG 4.11Å; D538-R540 PolarHBondContact O-N 3.34Å; D538-R540 WeakPolarHBondContact OD1-CB 3.17Å; D538-R540 WeakPolarHBondContact OD1-CG 3.36Å; D538-R540 IonicContact OD1-CZ 3.19Å; D538-R540 PolarHBondContact OD1-N 2.94Å; D538-R540 IonicContact OD1-NE 3.46Å; D538-R540 PolarHBondContact OD1-NE 3.46Å; D538-R540 IonicContact OD1-NH2 2.82Å; D538-R540 IonicContact OD2-CZ 2.58Å; D538-R540 IonicContact OD2-NE 3.23Å; D538-R540 PolarHBondContact OD2-NE 3.28Å; D538-R540 IonicContact OD2-NH2 2.9Å; D538-R540 PolarHBondContact OD2-NH2 3.07Å; R540-R542 VanDerWaalsContact C-N 3.3Å
541	T	95.5	Very high	92.4	Very high	0 Å²	0	17.2 Å²	17.2	0%	0	10%	0.101	C	C	.	.	G	3₁₀ helix	trans	-86.4	3.7	179.2	68.3	0	0	0	0	113.7	P379 F529 D538 L539 H543	P379-T541 HydrophobicContact CB-CG2 4.5Å; P379-T541 HydrophobicContact CG-CG2 4.44Å; F529-T541 VanDerWaalsContact O-CG2 3.22Å; F529-T541 WeakPolarHBondContact O-CG2 3.49Å; D538-T541 HydrophobicContact CB-CG2 3.86Å; D538-T541 WeakPolarHBondContact O-CB 3.44Å; D538-T541 PolarHBondContact O-N 3.35Å; D538-T541 PolarHBondContact O-OG1 2.92Å; L539-T541 PolarHBondContact O-N 2.82Å; T541-H543 PolarHBondContact O-N 3.35Å; T541-H543 VanDerWaalsContact O-N 3.15Å; T541-H543 PolarHBondContact O-ND1 3.17Å
542	R	94.8	Very high	92.2	Very high	18 Å²	18	18 Å²	18	7%	0.068	11%	0.107	C	C	.	.			trans	-56.7	119.8	172	-164.8	168	173	71.4	2.5	109.2	E332 P472 H473 F474 F511 N512 R513 L539 R540	E332-R542 IonicContact OE1-CZ 2.78Å; E332-R542 IonicContact OE1-NE 3.91Å; E332-R542 PolarHBondContact OE1-NE 3.11Å; E332-R542 IonicContact OE1-NH2 3.89Å; E332-R542 PolarHBondContact OE1-NH2 3.18Å; E332-R542 IonicContact OE2-CZ 3.73Å; E332-R542 IonicContact OE2-NE 3.91Å; E332-R542 IonicContact OE2-NH2 3.51Å; E332-R542 PolarHBondContact OE2-NH2 3.22Å; P472-R542 PolarHBondContact O-NH2 2.85Å; P472-R542 VanDerWaalsContact O-NH2 3.16Å; H473-R542 WeakPolarHBondContact O-CA 3.1Å; F474-R542 HydrophobicContact CD1-CB 4.01Å; F474-R542 HydrophobicContact CD1-CG 4.4Å; F474-R542 HydrophobicContact CE1-CB 3.35Å; F474-R542 HydrophobicContact CE1-CG 3.94Å; F474-R542 HydrophobicContact CE2-CB 4.45Å; F474-R542 HydrophobicContact CE2-CG 4.21Å; F474-R542 HydrophobicContact CZ-CB 3.62Å; F474-R542 HydrophobicContact CZ-CG 3.84Å; F511-R542 CarbonylContact C-O 3.55Å; F511-R542 WeakPolarHBondContact CA-O 3.47Å; N512-R542 PolarHBondContact N-O 3.31Å; R513-R542 HydrophobicContact CG-CB 4.48Å; L539-R542 PolarHBondContact O-N 3.45Å; R540-R542 VanDerWaalsContact C-N 3.3Å
543	H	96.1	Very high	92.3	Very high	12 Å²	12	16.1 Å²	16.1	6%	0.056	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	163.6	-173	67.9	-80.4	0	0	0	112.4	P472 H473 D475 T509 V510 F511 W528 T541	P472-H543 WeakPolarHBondContact CA-O 3.41Å; H473-H543 AromaticContact CE1-CD2 3.86Å; H473-H543 AromaticContact CE1-NE2 3.57Å; H473-H543 PolarHBondContact N-O 2.89Å; H473-H543 PolarHBondContact ND1-O 3.35Å; H473-H543 AromaticContact NE2-CE1 3.72Å; H473-H543 AromaticContact NE2-NE2 3.35Å; H473-H543 PolarHBondContact NE2-NE2 2.98Å; H473-H543 PolarHBondContact O-N 3Å; D475-H543 IonicContact OD2-CE1 3.04Å; D475-H543 PolarHBondContact OD2-CE1 3.45Å; D475-H543 IonicContact OD2-NE2 2.85Å; T509-H543 HydrophobicContact CG2-CB 4.27Å; V510-H543 CarbonylContact O-C 3.55Å; V510-H543 WeakPolarHBondContact O-CA 3.49Å; V510-H543 VanDerWaalsContact O-CB 3.23Å; V510-H543 WeakPolarHBondContact O-CB 3.29Å; F511-H543 HydrophobicContact CD1-CB 3.76Å; F511-H543 HydrophobicContact CD2-CB 4.42Å; F511-H543 HydrophobicContact CE1-CB 3.84Å; F511-H543 HydrophobicContact CE2-CB 4.49Å; F511-H543 HydrophobicContact CG-CB 4.07Å; F511-H543 HydrophobicContact CZ-CB 4.21Å; W528-H543 AromaticContact CZ2-CE1 3.65Å; W528-H543 AromaticContact CZ2-NE2 3.7Å; T541-H543 PolarHBondContact O-N 3.35Å; T541-H543 VanDerWaalsContact O-N 3.15Å; T541-H543 PolarHBondContact O-ND1 3.17Å
544	A	94.8	Very high	92.6	Very high	0 Å²	0	14.5 Å²	14.5	0%	0	9%	0.085	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	154.2	-179.4	0	0	0	0	0	110.3	Y336 Y470 P472 T509 V510	Y336-A544 HydrophobicContact CD2-CB 3.47Å; Y336-A544 VanDerWaalsContact CD2-CB 3.47Å; Y336-A544 HydrophobicContact CE2-CB 3.38Å; Y470-A544 WeakPolarHBondContact O-CA 3.48Å; Y470-A544 WeakPolarHBondContact O-CB 3.46Å; P472-A544 HydrophobicContact CB-CB 4.38Å; P472-A544 HydrophobicContact CG-CB 3.97Å; T509-A544 CarbonylContact C-O 3.58Å; T509-A544 VanDerWaalsContact CA-O 3.3Å; T509-A544 WeakPolarHBondContact CA-O 3.38Å; V510-A544 HydrophobicContact CG2-CB 4.17Å; V510-A544 PolarHBondContact N-O 3.44Å; V510-A544 PolarHBondContact O-N 2.7Å
545	A	94.9	Very high	93	Very high	7 Å²	7	12.6 Å²	12.6	6%	0.058	8%	0.075	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	116.1	166.2	0	0	0	0	0	108.6	Y336 Y464 H469 Y470	Y336-A545 PolarHBondContact OH-O 2.72Å; Y464-A545 HydrophobicContact CE1-CB 4.46Å; H469-A545 WeakPolarHBondContact CB-O 3.16Å; Y470-A545 PolarHBondContact N-O 3.3Å; Y470-A545 VanDerWaalsContact N-O 3.11Å; Y470-A545 PolarHBondContact O-N 3.1Å
546	C	95.9	Very high	93.5	Very high	0 Å²	0	11.3 Å²	11.3	0%	0	6%	0.062	C	C	.	.	P	Polyproline II helix	trans	-58.9	147.5	172	-66.2	0	0	0	0	110.7	C340 G507 A508 V510	C340-C546 WeakPolarHBondContact CA-SG 3.48Å; C340-C546 HydrophobicContact CB-CB 3.77Å; C340-C546 WeakPolarHBondContact CB-SG 3.23Å; C340-C546 WeakPolarHBondContact SG-CA 3.28Å; C340-C546 WeakPolarHBondContact SG-CB 3.44Å; C340-C546 CovalentContact SG-SG 2.04Å; C340-C546 PolarHBondContact SG-SG 3.35Å; G507-C546 WeakPolarHBondContact CA-O 3.3Å; A508-C546 HydrophobicContact CB-CB 4.42Å; A508-C546 WeakPolarHBondContact O-CB 3.49Å; A508-C546 PolarHBondContact O-N 3.06Å; V510-C546 VanDerWaalsContact CG1-SG 3.59Å
547	P	95.1	Very high	93.9	Very high	0 Å²	0	10.4 Å²	10.4	0%	0	6%	0.058	C	C	.	.	P	Polyproline II helix	trans	-61.1	140.7	178.3	-18.7	33.9	0	0	0	110.3	R172 L173 T176 Y177 Y336 G468 H469 G507 L549	R172-P547 HydrophobicContact CG-CG 4.13Å; L173-P547 HydrophobicContact CD2-CB 3.73Å; T176-P547 HydrophobicContact CG2-CG 3.94Å; Y177-P547 HydrophobicContact CE2-CB 4.27Å; Y177-P547 WeakPolarHBondContact CE2-O 3.44Å; Y177-P547 PolarHBondContact OH-O 3.23Å; Y336-P547 VanDerWaalsContact OH-CD 3.29Å; Y336-P547 WeakPolarHBondContact OH-CD 3.37Å; G468-P547 WeakPolarHBondContact O-CA 3.4Å; H469-P547 HydrophobicContact CB-CB 4.13Å; H469-P547 HydrophobicContact CB-CG 3.88Å; G507-P547 PolarHBondContact N-O 3.17Å; P547-L549 PolarHBondContact O-N 3.48Å
548	V	93.2	Very high	94.3	Very high	4 Å²	4	9.6 Å²	9.6	2%	0.024	5%	0.05	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.7	113.6	173.5	-178.9	0	0	0	0	108.9	L173 G468 V503 G551 K553	L173-V548 WeakPolarHBondContact CD2-O 3.2Å; G468-V548 PolarHBondContact O-N 3.42Å; V503-V548 HydrophobicContact CG1-CG1 3.82Å; V548-G551 WeakPolarHBondContact CG1-O 3.42Å; V548-K553 HydrophobicContact CG2-CB 3.5Å; V548-K553 VanDerWaalsContact CG2-CB 3.5Å; V548-K553 HydrophobicContact CG2-CD 4.14Å; V548-K553 HydrophobicContact CG2-CG 4.46Å
549	L	92	Very high	94.5	Very high	10 Å²	10	9.7 Å²	9.7	5%	0.052	5%	0.05	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	-43.3	-179	177	58.1	0	0	0	111.4	L173 Y177 L179 L189 I190 A505 P547	L173-L549 HydrophobicContact CB-CD1 4.32Å; L173-L549 HydrophobicContact CD1-CD1 4.31Å; L173-L549 HydrophobicContact CD2-CB 4.33Å; L173-L549 HydrophobicContact CD2-CD1 4.1Å; L173-L549 HydrophobicContact CG-CD1 4.47Å; Y177-L549 HydrophobicContact CD1-CD2 4.35Å; Y177-L549 HydrophobicContact CD2-CB 4.12Å; Y177-L549 HydrophobicContact CD2-CD1 4.05Å; Y177-L549 HydrophobicContact CD2-CD2 4.19Å; Y177-L549 HydrophobicContact CD2-CG 4.36Å; Y177-L549 HydrophobicContact CE2-CB 3.79Å; Y177-L549 HydrophobicContact CG-CD2 4.1Å; L179-L549 HydrophobicContact CD1-CD1 3.62Å; L189-L549 HydrophobicContact CD1-CD1 3.92Å; L189-L549 HydrophobicContact CD2-CD1 4.42Å; L189-L549 HydrophobicContact CG-CD1 4.31Å; I190-L549 HydrophobicContact CG2-CD2 3.68Å; A505-L549 HydrophobicContact CB-CB 4.05Å; A505-L549 HydrophobicContact CB-CD2 4.09Å; A505-L549 HydrophobicContact CB-CG 4.19Å; A505-L549 WeakPolarHBondContact O-CB 3.46Å; A505-L549 PolarHBondContact O-N 3.38Å; P547-L549 PolarHBondContact O-N 3.48Å
550	A	90.1	Very high	94.7	Very high	2 Å²	2	9 Å²	9	2%	0.017	5%	0.046	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.7	134.8	172.8	0	0	0	0	0	110.9	G90 L193 Q504 A505	G90-A550 WeakPolarHBondContact O-CA 3.39Å; L193-A550 HydrophobicContact CD1-CB 3.45Å; L193-A550 VanDerWaalsContact CD1-CB 3.45Å; Q504-A550 HydrophobicContact CB-CB 4.27Å; Q504-A550 PolarHBondContact N-O 2.98Å; A505-A550 HydrophobicContact CB-CB 4.06Å; A505-A550 PolarHBondContact N-O 2.89Å; A505-A550 VanDerWaalsContact N-O 3.11Å; A505-A550 PolarHBondContact O-N 3.03Å; A505-A550 VanDerWaalsContact O-N 3.07Å
551	G	89.3	Confident	94.8	Very high	13 Å²	13	6.3 Å²	6.3	13%	0.134	4%	0.036	C	C	.	.	S	Bend	trans	105.3	-172.6	-179.1	0	0	0	0	0	113.5	G90 V548	G90-G551 PolarHBondContact O-N 3.15Å; V548-G551 WeakPolarHBondContact CG1-O 3.42Å
552	S	90.4	Very high	94.7	Very high	19 Å²	19	9.2 Å²	9.2	13%	0.133	5%	0.049	C	C	.	.			trans	-121.3	119.5	177.7	179.4	0	0	0	0	108.9	N463 S501	N463-S552 PolarHBondContact ND2-OG 2.91Å; S501-S552 WeakPolarHBondContact CB-O 3.45Å; S501-S552 PolarHBondContact OG-O 2.95Å
553	K	92.9	Very high	94.6	Very high	3 Å²	3	14.2 Å²	14.2	1%	0.013	7%	0.068	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96	109.3	-177	177.4	-177.9	175.4	-178	0	110	N463 Y464 V503 G507 P520 V548 V555	N463-K553 WeakPolarHBondContact CA-O 3.23Å; Y464-K553 HydrophobicContact CD2-CD 4.34Å; Y464-K553 HydrophobicContact CD2-CG 4.35Å; Y464-K553 PolarHBondContact N-O 3Å; Y464-K553 PolarHBondContact O-N 2.92Å; Y464-K553 VanDerWaalsContact O-N 3.1Å; V503-K553 HydrophobicContact CG2-CB 3.57Å; V503-K553 HydrophobicContact CG2-CD 4.35Å; V503-K553 HydrophobicContact CG2-CG 3.81Å; G507-K553 WeakPolarHBondContact O-CE 3.45Å; G507-K553 PolarHBondContact O-NZ 2.92Å; P520-K553 HydrophobicContact CG-CD 4.49Å; V548-K553 HydrophobicContact CG2-CB 3.5Å; V548-K553 VanDerWaalsContact CG2-CB 3.5Å; V548-K553 HydrophobicContact CG2-CD 4.14Å; V548-K553 HydrophobicContact CG2-CG 4.46Å; K553-V555 HydrophobicContact CD-CG1 4.35Å; K553-V555 HydrophobicContact CG-CG1 3.96Å
554	W	95.9	Very high	94.5	Very high	9 Å²	9	14.7 Å²	14.7	3%	0.034	8%	0.077	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	130	169.8	-72	88.1	0	0	0	109.9	E86 K397 L404 V461 G462 N463 L500 S501	E86-W554 WeakPolarHBondContact OE1-CZ2 3.49Å; E86-W554 PolarHBondContact OE1-NE1 2.93Å; E86-W554 PolarHBondContact OE2-NE1 3.47Å; K397-W554 HydrophobicContact CD-CD2 4.23Å; K397-W554 HydrophobicContact CD-CG 4.44Å; K397-W554 HydrophobicContact CG-CD2 4.14Å; K397-W554 HydrophobicContact CG-CE3 4.05Å; K397-W554 HydrophobicContact CG-CZ3 4.28Å; L404-W554 HydrophobicContact CD1-CH2 3.65Å; L404-W554 HydrophobicContact CD1-CZ3 3.97Å; V461-W554 HydrophobicContact CG1-CE3 4.03Å; V461-W554 HydrophobicContact CG1-CZ3 4.15Å; G462-W554 WeakPolarHBondContact O-CA 3.24Å; N463-W554 HydrophobicContact CB-CD2 3.92Å; N463-W554 HydrophobicContact CB-CE3 3.9Å; N463-W554 HydrophobicContact CB-CH2 4.16Å; N463-W554 HydrophobicContact CB-CZ2 4.15Å; N463-W554 HydrophobicContact CB-CZ3 4.03Å; N463-W554 PolarHBondContact ND2-NE1 3.12Å; N463-W554 VanDerWaalsContact ND2-NE1 3.12Å; L500-W554 HydrophobicContact CB-CB 3.73Å; L500-W554 PolarHBondContact N-O 2.95Å; S501-W554 PolarHBondContact OG-N 2.76Å
555	V	97.1	Very high	94.5	Very high	1 Å²	1	14.8 Å²	14.8	1%	0.006	8%	0.077	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	159.5	176.5	-61.5	0	0	0	0	111	V461 G462 Y464 I497 F498 Y499 K553	V461-V555 CarbonylContact C-O 3.47Å; V461-V555 WeakPolarHBondContact CA-O 3.01Å; G462-V555 PolarHBondContact N-O 2.87Å; G462-V555 PolarHBondContact O-N 3.28Å; Y464-V555 HydrophobicContact CD2-CG2 4.38Å; Y464-V555 HydrophobicContact CE2-CG2 3.73Å; I497-V555 HydrophobicContact CD1-CB 4.12Å; I497-V555 HydrophobicContact CD1-CG1 4.06Å; I497-V555 HydrophobicContact CD1-CG2 4.44Å; I497-V555 HydrophobicContact CG1-CB 4.07Å; I497-V555 HydrophobicContact CG1-CG1 4.3Å; F498-V555 CarbonylContact O-C 3.44Å; F498-V555 WeakPolarHBondContact O-CA 3.44Å; F498-V555 WeakPolarHBondContact O-CB 3.23Å; Y499-V555 HydrophobicContact CD1-CG1 3.87Å; Y499-V555 HydrophobicContact CE1-CG1 4.24Å; K553-V555 HydrophobicContact CD-CG1 4.35Å; K553-V555 HydrophobicContact CG-CG1 3.96Å
556	M	98.1	Very high	94.3	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	115.1	169.2	174.8	-175.3	74.2	0	0	109.8	I388 I396 I441 L459 Q460 V461 F498 L500	I388-M556 HydrophobicContact CD1-CE 4.34Å; I396-M556 HydrophobicContact CD1-SD 4.43Å; I396-M556 HydrophobicContact CG2-SD 4.09Å; I441-M556 HydrophobicContact CG2-CE 3.79Å; L459-M556 HydrophobicContact CB-CG 4.07Å; L459-M556 HydrophobicContact CB-SD 3.95Å; L459-M556 HydrophobicContact CD1-SD 4.02Å; L459-M556 HydrophobicContact CD2-CE 4.14Å; L459-M556 HydrophobicContact CD2-CG 4.29Å; L459-M556 HydrophobicContact CD2-SD 3.93Å; L459-M556 HydrophobicContact CG-SD 4.19Å; Q460-M556 CarbonylContact O-C 3.54Å; Q460-M556 VanDerWaalsContact O-CA 3.27Å; Q460-M556 WeakPolarHBondContact O-CA 2.83Å; V461-M556 HydrophobicContact CG2-CB 4.29Å; V461-M556 HydrophobicContact CG2-CG 4.1Å; V461-M556 HydrophobicContact CG2-SD 4.4Å; F498-M556 HydrophobicContact CB-CB 4.27Å; F498-M556 HydrophobicContact CB-CE 4.1Å; F498-M556 HydrophobicContact CD1-CE 4.48Å; F498-M556 HydrophobicContact CD2-CE 3.56Å; F498-M556 HydrophobicContact CE2-CE 4.09Å; F498-M556 HydrophobicContact CG-CE 3.8Å; F498-M556 PolarHBondContact N-O 3.28Å; F498-M556 PolarHBondContact O-N 3.4Å; L500-M556 HydrophobicContact CD1-CB 3.95Å; L500-M556 HydrophobicContact CD2-CB 4.5Å; L500-M556 HydrophobicContact CG-CB 4.33Å
557	N	97.5	Very high	94	Very high	15 Å²	15	29 Å²	29	8%	0.08	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	149.3	178.1	-59.5	-59.9	0	0	0	110.7	Q460 I496 I497 W559	Q460-N557 HydrophobicContact CB-CB 4.43Å; Q460-N557 PolarHBondContact N-O 3.06Å; Q460-N557 PolarHBondContact O-N 3.43Å; I496-N557 CarbonylContact O-C 3.6Å; I496-N557 WeakPolarHBondContact O-CA 3.24Å; I497-N557 WeakPolarHBondContact CB-OD1 3.34Å; I497-N557 VanDerWaalsContact CD1-OD1 3.32Å; I497-N557 WeakPolarHBondContact CD1-OD1 3.47Å; I497-N557 WeakPolarHBondContact CG1-OD1 3.25Å; N557-W559 HydrophobicContact CB-CE3 4.43Å; N557-W559 HydrophobicContact CB-CH2 3.7Å; N557-W559 HydrophobicContact CB-CZ2 3.83Å; N557-W559 HydrophobicContact CB-CZ3 4.02Å
558	L	98.1	Very high	93.9	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	132.2	162	177.7	155.5	0	0	0	108.4	I445 L453 A456 L459 I496 F560	I445-L558 HydrophobicContact CD1-CD1 3.98Å; I445-L558 HydrophobicContact CG2-CD1 4.4Å; I445-L558 HydrophobicContact CG2-CD2 4.39Å; L453-L558 HydrophobicContact CD2-CD1 3.99Å; L453-L558 HydrophobicContact CD2-CD2 3.97Å; A456-L558 HydrophobicContact CB-CD2 4.07Å; A456-L558 HydrophobicContact CB-CG 4.47Å; L459-L558 HydrophobicContact CD2-CB 4.17Å; L459-L558 HydrophobicContact CD2-CD1 3.7Å; I496-L558 HydrophobicContact CG2-CB 3.7Å; I496-L558 HydrophobicContact CG2-CD2 4.09Å; I496-L558 HydrophobicContact CG2-CG 4.47Å; I496-L558 PolarHBondContact N-O 2.93Å; I496-L558 PolarHBondContact O-N 3.21Å; L558-F560 HydrophobicContact CD2-CD1 4.03Å; L558-F560 HydrophobicContact CD2-CD2 3.64Å; L558-F560 HydrophobicContact CD2-CE1 3.78Å; L558-F560 HydrophobicContact CD2-CE2 3.35Å; L558-F560 HydrophobicContact CD2-CG 3.98Å; L558-F560 HydrophobicContact CD2-CZ 3.43Å; L558-F560 VanDerWaalsContact CD2-CZ 3.43Å
559	W	97.4	Very high	93.7	Very high	13 Å²	13	37.4 Å²	37.4	5%	0.049	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	131.9	176.4	-62.8	-82.4	0	0	0	110.1	W429 A456 E457 Q460 D475 R492 T495 N557	W429-W559 HydrophobicContact CH2-CE3 4.26Å; W429-W559 AromaticContact CH2-CZ3 3.69Å; W429-W559 HydrophobicContact CH2-CZ3 3.69Å; W429-W559 HydrophobicContact CZ3-CE3 4.38Å; W429-W559 AromaticContact CZ3-CZ3 4Å; W429-W559 HydrophobicContact CZ3-CZ3 4Å; A456-W559 WeakPolarHBondContact CA-O 3.5Å; E457-W559 HydrophobicContact CB-CE3 4.5Å; E457-W559 HydrophobicContact CG-CB 4.31Å; E457-W559 PolarHBondContact N-O 3.1Å; Q460-W559 HydrophobicContact CB-CH2 4.24Å; Q460-W559 HydrophobicContact CB-CZ3 3.77Å; Q460-W559 HydrophobicContact CG-CH2 4.49Å; Q460-W559 HydrophobicContact CG-CZ3 4.37Å; D475-W559 PolarHBondContact OD1-NE1 3.32Å; D475-W559 PolarHBondContact OD2-NE1 2.97Å; R492-W559 HydrophobicContact CB-CB 4.45Å; R492-W559 HydrophobicContact CG-CB 3.88Å; R492-W559 HydrophobicContact CG-CG 4.33Å; R492-W559 VanDerWaalsContact CZ-CD2 3.44Å; R492-W559 VanDerWaalsContact NH2-CE3 3.33Å; T495-W559 VanDerWaalsContact OG1-CD1 3.23Å; N557-W559 HydrophobicContact CB-CE3 4.43Å; N557-W559 HydrophobicContact CB-CH2 3.7Å; N557-W559 HydrophobicContact CB-CZ2 3.83Å; N557-W559 HydrophobicContact CB-CZ3 4.02Å
560	F	97.4	Very high	93.5	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	138	175.4	-59.3	-99.1	0	0	0	108.8	I445 T449 L451 S452 L453 A456 R492 I493 A494 I496 F527 L558	I445-F560 HydrophobicContact CG2-CE1 4.19Å; I445-F560 HydrophobicContact CG2-CE2 4.44Å; I445-F560 HydrophobicContact CG2-CZ 3.51Å; T449-F560 HydrophobicContact CG2-CE2 4.26Å; T449-F560 HydrophobicContact CG2-CZ 3.8Å; L451-F560 HydrophobicContact CB-CD1 3.58Å; L451-F560 HydrophobicContact CB-CE1 3.57Å; L451-F560 HydrophobicContact CB-CG 4.37Å; L451-F560 HydrophobicContact CB-CZ 4.37Å; L451-F560 HydrophobicContact CD1-CB 4.24Å; L451-F560 HydrophobicContact CD1-CD1 3.84Å; L451-F560 HydrophobicContact CD1-CD2 4.03Å; L451-F560 HydrophobicContact CD1-CE1 4.09Å; L451-F560 HydrophobicContact CD1-CE2 4.29Å; L451-F560 HydrophobicContact CD1-CG 3.78Å; L451-F560 HydrophobicContact CD1-CZ 4.31Å; L451-F560 HydrophobicContact CG-CD1 4.38Å; L451-F560 HydrophobicContact CG-CE1 4.46Å; S452-F560 WeakPolarHBondContact O-CD1 3.46Å; L453-F560 HydrophobicContact CD2-CD1 3.96Å; L453-F560 HydrophobicContact CD2-CE1 3.36Å; L453-F560 HydrophobicContact CD2-CZ 4.11Å; A456-F560 HydrophobicContact CB-CD1 4.42Å; R492-F560 CarbonylContact C-O 3.34Å; R492-F560 WeakPolarHBondContact CA-O 3.35Å; I493-F560 HydrophobicContact CG2-CB 3.78Å; I493-F560 WeakPolarHBondContact CG2-O 3.36Å; I493-F560 PolarHBondContact N-O 2.8Å; A494-F560 HydrophobicContact CB-CB 4.3Å; A494-F560 HydrophobicContact CB-CD2 3.87Å; A494-F560 HydrophobicContact CB-CG 4.38Å; A494-F560 PolarHBondContact O-N 3.18Å; I496-F560 HydrophobicContact CB-CE2 4.33Å; I496-F560 HydrophobicContact CG2-CE2 3.89Å; I496-F560 HydrophobicContact CG2-CZ 4.39Å; F527-F560 HydrophobicContact CE2-CE2 4.28Å; L558-F560 HydrophobicContact CD2-CD1 4.03Å; L558-F560 HydrophobicContact CD2-CD2 3.64Å; L558-F560 HydrophobicContact CD2-CE1 3.78Å; L558-F560 HydrophobicContact CD2-CE2 3.35Å; L558-F560 HydrophobicContact CD2-CG 3.98Å; L558-F560 HydrophobicContact CD2-CZ 3.43Å; L558-F560 VanDerWaalsContact CD2-CZ 3.43Å
561	H	95.4	Very high	93.2	Very high	7 Å²	7	45.6 Å²	45.6	3%	0.032	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	157.7	171.3	-72	-97.2	0	0	0	112.2	T455 E457 E486 N489 G490 N491 R563 Q565	T455-H561 WeakPolarHBondContact O-CB 3.35Å; T455-H561 PolarHBondContact O-CD2 3.13Å; E457-H561 VanDerWaalsContact CG-NE2 3.32Å; E457-H561 WeakPolarHBondContact CG-NE2 3.42Å; E457-H561 IonicContact OE1-CE1 3.79Å; E457-H561 IonicContact OE1-NE2 3.69Å; E457-H561 PolarHBondContact OE1-NE2 3.41Å; E486-H561 IonicContact OE2-CE1 2.69Å; E486-H561 PolarHBondContact OE2-CE1 3.39Å; E486-H561 IonicContact OE2-ND1 2.89Å; E486-H561 IonicContact OE2-NE2 3.41Å; N489-H561 HydrophobicContact CB-CB 3.68Å; N489-H561 WeakPolarHBondContact O-CB 3.45Å; G490-H561 PolarHBondContact O-ND1 2.97Å; N491-H561 CarbonylContact O-C 3.59Å; N491-H561 VanDerWaalsContact O-CA 3.29Å; N491-H561 WeakPolarHBondContact O-CA 3.41Å; H561-R563 PolarHBondContact O-N 3.24Å; H561-Q565 WeakPolarHBondContact O-CG 3.32Å
562	E	93	Very high	93	Very high	60 Å²	60	51 Å²	51	28%	0.28	25%	0.247	S	C	.	.	S	Bend	trans	-58.4	-43	-180	-71.5	175.6	110.7	0	0	113.4	N491 I493 L531 G564 Q565	N491-E562 HydrophobicContact CB-CG 4.46Å; N491-E562 VanDerWaalsContact CB-OE2 3.31Å; N491-E562 WeakPolarHBondContact CB-OE2 3.46Å; N491-E562 PolarHBondContact N-OE2 2.92Å; N491-E562 PolarHBondContact O-N 3.41Å; I493-E562 HydrophobicContact CB-CG 4.06Å; I493-E562 HydrophobicContact CD1-CG 4.36Å; I493-E562 HydrophobicContact CG1-CG 4.5Å; L531-E562 HydrophobicContact CD1-CG 3.51Å; L531-E562 WeakPolarHBondContact CD1-OE1 3.32Å; E562-G564 PolarHBondContact O-N 3.22Å; E562-Q565 WeakPolarHBondContact O-CB 3.36Å; E562-Q565 WeakPolarHBondContact O-CG 3.47Å; E562-Q565 PolarHBondContact O-N 3.07Å; E562-Q565 VanDerWaalsContact O-N 3.11Å
563	R	93.2	Very high	92.7	Very high	124 Å²	124	59 Å²	59	47%	0.468	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.3	128.8	-177.2	178.9	-178.1	173	179	0.9	110.9	T455 K488 N489 H561	T455-R563 WeakPolarHBondContact CB-O 3.23Å; T455-R563 HydrophobicContact CG2-CB 4.12Å; T455-R563 HydrophobicContact CG2-CG 4.02Å; T455-R563 WeakPolarHBondContact CG2-O 3.44Å; T455-R563 PolarHBondContact OG1-O 3.42Å; K488-R563 WeakPolarHBondContact O-CD 3.46Å; K488-R563 PolarHBondContact O-NH1 3.5Å; N489-R563 WeakPolarHBondContact O-CB 3.49Å; N489-R563 PolarHBondContact O-N 3.39Å; H561-R563 PolarHBondContact O-N 3.24Å
564	G	92.8	Very high	92.1	Very high	22 Å²	22	66.2 Å²	66.2	23%	0.227	32%	0.321	C	S	.	.	T	Hydrogen-bonded Turn	trans	89.9	-0.3	-179.1	0	0	0	0	0	114.5	E562 E566 R568	E562-G564 PolarHBondContact O-N 3.22Å; G564-E566 WeakPolarHBondContact CA-OE2 3.26Å; G564-E566 PolarHBondContact N-OE1 3.03Å; G564-E566 PolarHBondContact N-OE2 3.31Å; G564-R568 PolarHBondContact O-NH1 2.94Å; G564-R568 VanDerWaalsContact O-NH1 3.16Å
565	Q	94.9	Very high	90.9	Very high	2 Å²	2	74.1 Å²	74.1	1%	0.009	35%	0.351	C	S	.	.			trans	-103.2	1	177.4	-46.1	-58.4	-17.2	0	0	113.6	S452 I493 H561 E562 F567 R568 R569	S452-Q565 PolarHBondContact O-NE2 3.47Å; I493-Q565 HydrophobicContact CD1-CB 4.37Å; I493-Q565 HydrophobicContact CG2-CG 4.23Å; H561-Q565 WeakPolarHBondContact O-CG 3.32Å; E562-Q565 WeakPolarHBondContact O-CB 3.36Å; E562-Q565 WeakPolarHBondContact O-CG 3.47Å; E562-Q565 PolarHBondContact O-N 3.07Å; E562-Q565 VanDerWaalsContact O-N 3.11Å; Q565-F567 PolarHBondContact O-N 3.3Å; Q565-F567 VanDerWaalsContact O-N 3.07Å; Q565-R568 PolarHBondContact O-N 3.46Å; Q565-R569 PolarHBondContact O-N 3.36Å
566	E	90.2	Very high	89.7	Confident	109 Å²	109	76.6 Å²	76.6	51%	0.509	38%	0.377	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57	-32.9	-170.2	-55.5	82.3	176.5	0	0	112.7	G564	G564-E566 WeakPolarHBondContact CA-OE2 3.26Å; G564-E566 PolarHBondContact N-OE1 3.03Å; G564-E566 PolarHBondContact N-OE2 3.31Å
567	F	90.9	Very high	88.3	Confident	196 Å²	196	82.9 Å²	82.9	86%	0.86	42%	0.416	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.7	-6.4	177.5	-59.9	-67.9	0	0	0	114.4	Q565	Q565-F567 PolarHBondContact O-N 3.3Å; Q565-F567 VanDerWaalsContact O-N 3.07Å
568	R	91.4	Very high	86.9	Confident	131 Å²	131	84.7 Å²	84.7	49%	0.494	43%	0.427	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.1	-30.7	179.9	-68.7	176.6	169.7	89.7	2.4	111.8	G450 L451 G564 Q565	G450-R568 VanDerWaalsContact O-CD 3.28Å; G450-R568 WeakPolarHBondContact O-CD 3.44Å; L451-R568 HydrophobicContact CD2-CB 4.46Å; G564-R568 PolarHBondContact O-NH1 2.94Å; G564-R568 VanDerWaalsContact O-NH1 3.16Å; Q565-R568 PolarHBondContact O-N 3.46Å
569	R	90.2	Very high	85.5	Confident	49 Å²	49	89.5 Å²	89.5	19%	0.185	45%	0.45	C	S	.	.	S	Bend	trans	-134.8	77.1	173.8	-170.7	175.4	-173.1	-144.9	-3.1	109	I493 F529 L531 Q565	I493-R569 PolarHBondContact O-NH1 3.23Å; F529-R569 VanDerWaalsContact CB-NH2 3.28Å; F529-R569 VanDerWaalsContact CE1-CD 3.41Å; L531-R569 VanDerWaalsContact O-CZ 3.27Å; L531-R569 PolarHBondContact O-NH1 3.43Å; L531-R569 PolarHBondContact O-NH2 3.06Å; Q565-R569 PolarHBondContact O-N 3.36Å
570	P	86.8	Confident	84	Confident	90 Å²	90	94 Å²	94	58%	0.584	48%	0.479	S	S	*	.	P	Polyproline II helix	trans	-64.4	151.5	179.3	28.5	-34.6	0	0	0	110.6
571	C	85	Confident	82.6	Confident	94 Å²	94	97.8 Å²	97.8	64%	0.635	50%	0.499	S	S	*	.	P	Polyproline II helix	trans	-67.6	159.3	170.8	63.5	0	0	0	0	111.4	P533	P533-C571 VanDerWaalsContact O-CA 3.29Å; P533-C571 WeakPolarHBondContact O-CA 3.39Å; P533-C571 WeakPolarHBondContact O-CB 3.2Å
572	E	85	Confident	81.3	Confident	126 Å²	126	97.7 Å²	97.7	59%	0.589	50%	0.499	S	S	*	.	P	Polyproline II helix	trans	-75.3	164.3	171.3	-69.4	-179.6	-179.4	0	0	111.3	P533 E574	P533-E572 HydrophobicContact CB-CB 4.45Å; P533-E572 HydrophobicContact CB-CG 3.83Å; P533-E572 HydrophobicContact CG-CG 4.07Å; E572-E574 PolarHBondContact O-N 3.24Å
573	L	84.5	Confident	79.8	Confident	187 Å²	187	98.6 Å²	98.6	98%	0.979	51%	0.505	S	S	*	.	S	Bend	trans	-67.9	-24.5	177.1	-64.6	177.1	0	0	0	112.3
574	E	80.3	Confident	78.2	Confident	156 Å²	156	97.9 Å²	97.9	73%	0.729	51%	0.506	S	S	*	.	S	Bend	trans	-113.1	143.3	176.9	-64	-175.2	179.8	0	0	109.8	E572 G576	E572-E574 PolarHBondContact O-N 3.24Å; E574-G576 PolarHBondContact O-N 3.19Å
575	R	69	Low	77.5	Confident	174 Å²	174	101.7 Å²	101.7	66%	0.657	52%	0.52	S	S	*	.			trans	-69.9	-16	-178.1	-165.9	173.9	179.1	-175.4	-0.8	112.7	N534 E536	N534-R575 HydrophobicContact CB-CG 4.08Å; N534-R575 WeakPolarHBondContact CB-O 3.46Å; N534-R575 PolarHBondContact ND2-O 2.84Å; E536-R575 IonicContact OE1-NH2 3.28Å
576	G	72.3	Confident	76.6	Confident	54 Å²	54	106.9 Å²	106.9	56%	0.557	55%	0.547	S	S	*	.			trans	63.3	-179.8	-171.6	0	0	0	0	0	113.4	E574	E574-G576 PolarHBondContact O-N 3.19Å
577	T	68.5	Low	75.8	Confident	132 Å²	132	106.8 Å²	106.8	81%	0.81	55%	0.549	S	S	*	.			trans	-79	133.9	174.8	48.6	0	0	0	0	111
578	V	68	Low	75	Confident	53 Å²	53	101.6 Å²	101.6	32%	0.321	53%	0.531	S	S	.	.			trans	-99.8	108	173.4	-175.3	0	0	0	0	108.5	E536 T580	E536-V578 HydrophobicContact CB-CG1 4.35Å; E536-V578 HydrophobicContact CG-CG1 3.85Å; E536-V578 HydrophobicContact CG-CG2 3.93Å; V578-T580 HydrophobicContact CG1-CG2 3.95Å
579	E	69.2	Low	73.9	Confident	100 Å²	100	99.8 Å²	99.8	47%	0.467	53%	0.533	S	S	.	.			trans	-80.1	116.2	170.6	-162.4	-179.8	-168.5	0	0	108.3	R513 L539	R513-E579 IonicContact CZ-OE1 3.77Å; R513-E579 IonicContact CZ-OE2 3.82Å; R513-E579 IonicContact NH1-OE1 2.65Å; R513-E579 PolarHBondContact NH1-OE1 3.4Å; R513-E579 IonicContact NH1-OE2 3.33Å; R513-E579 PolarHBondContact NH1-OE2 3.38Å; R513-E579 IonicContact NH2-OE1 3.15Å; R513-E579 PolarHBondContact NH2-OE1 3.43Å; R513-E579 IonicContact NH2-OE2 2.64Å; L539-E579 HydrophobicContact CD1-CB 3.92Å; L539-E579 HydrophobicContact CD1-CG 3.76Å
580	T	65.8	Low	72.8	Confident	107 Å²	107	103.1 Å²	103.1	66%	0.656	56%	0.556	S	S	*	*			trans	-104.3	-9	-175.7	56.5	0	0	0	0	114.1	R480 V578	R480-T580 PolarHBondContact NH2-O 3.44Å; V578-T580 HydrophobicContact CG1-CG2 3.95Å
581	D	68.6	Low	71.9	Confident	80 Å²	80	104.1 Å²	104.1	43%	0.428	55%	0.554	S	S	.	*			trans	-108.8	116.1	177.8	-158.2	-2.7	0	0	0	108.5	L539 D583	L539-D581 WeakPolarHBondContact CD1-O 3.37Å; D581-D583 VanDerWaalsContact C-N 3.28Å; D581-D583 PolarHBondContact OD1-N 2.93Å
582	D	66.8	Low	70.8	Confident	6 Å²	6	104.8 Å²	104.8	3%	0.032	55%	0.548	C	S	.	.			trans	-91.6	6.3	175.2	54	-14.2	0	0	0	112.4	F474 R478 R480 L539 F584	F474-D582 HydrophobicContact CE2-CB 4.35Å; F474-D582 HydrophobicContact CZ-CB 4.41Å; R478-D582 WeakPolarHBondContact CD-OD2 3.37Å; R478-D582 IonicContact CZ-OD2 3.25Å; R478-D582 IonicContact NE-OD2 2.85Å; R478-D582 IonicContact NH1-OD2 2.74Å; R478-D582 PolarHBondContact NH1-OD2 3.03Å; R480-D582 IonicContact NH1-OD1 3.63Å; L539-D582 HydrophobicContact CD1-CB 4.03Å; L539-D582 HydrophobicContact CD2-CB 3.87Å; D582-F584 WeakPolarHBondContact O-CD2 3.28Å; D582-F584 WeakPolarHBondContact O-CE2 3.48Å; D582-F584 PolarHBondContact O-N 3.11Å; D582-F584 VanDerWaalsContact O-N 3.07Å
583	D	63.3	Low	69.7	Low	78 Å²	78	103.1 Å²	103.1	42%	0.417	55%	0.545	S	S	.	.			trans	64.7	-4.4	-177.3	-67.3	-54.7	0	0	0	115.1	K328 D581	K328-D583 WeakPolarHBondContact CD-O 3.38Å; K328-D583 PolarHBondContact NZ-O 2.98Å; D581-D583 VanDerWaalsContact C-N 3.28Å; D581-D583 PolarHBondContact OD1-N 2.93Å
584	F	59.7	Low	68.3	Low	110 Å²	110	95.5 Å²	95.5	48%	0.482	51%	0.505	S	S	.	.			trans	-124.2	0	-169.2	-60.7	-62.5	0	0	0	115.4	E332 D582	E332-F584 HydrophobicContact CB-CD1 4.33Å; E332-F584 HydrophobicContact CB-CE1 3.63Å; E332-F584 HydrophobicContact CB-CZ 3.98Å; E332-F584 HydrophobicContact CG-CE1 4.24Å; E332-F584 HydrophobicContact CG-CZ 4.21Å; D582-F584 WeakPolarHBondContact O-CD2 3.28Å; D582-F584 WeakPolarHBondContact O-CE2 3.48Å; D582-F584 PolarHBondContact O-N 3.11Å; D582-F584 VanDerWaalsContact O-N 3.07Å

Retrieved 584 of 584 residues in 133.9 ms (Link to these results)

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