A0A077ZFJ6_TRITR Loading...

Type III restriction enzyme, res subunit family p rotein

AlphaFold DB , UniProt , Accession A0A077ZFJ6, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 689 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	28.3	Very low	29.3	Very low	255 Å²	255	141.1 Å²	141.1	100%	1.256	72%	0.717	S	S	*	*				0	115.2	0	-68.6	179.2	177.8	0	0	108.2
2	G	31.5	Very low	29.4	Very low	68 Å²	68	146 Å²	146	70%	0.701	72%	0.72	S	S	*	*			cis	-144	115.4	-11	0	0	0	0	0	107.9	L4	G2-L4 PolarHBondContact O-N 2.98Å
3	R	25	Very low	29.6	Very low	265 Å²	265	139.7 Å²	139.7	100%	1	71%	0.705	S	S	*	*			trans	-80.5	71.7	167.5	-75.1	-174.5	-173.8	178.7	2.5	108.2
4	L	27	Very low	29.8	Very low	154 Å²	154	134.4 Å²	134.4	81%	0.806	68%	0.679	S	S	*	*			trans	-104.1	61.6	161.6	-88.2	153.9	0	0	0	106.7	G2	G2-L4 PolarHBondContact O-N 2.98Å
5	G	25.9	Very low	29.7	Very low	67 Å²	67	131.3 Å²	131.3	69%	0.691	68%	0.675	S	S	*	*			trans	-119.4	119.1	177.1	0	0	0	0	0	109.1
6	D	33	Very low	29.2	Very low	87 Å²	87	129.6 Å²	129.6	47%	0.465	68%	0.678	S	S	.	*			trans	93	33.9	162.9	-137.5	11.3	0	0	0	119.8	S8 R9	D6-S8 PolarHBondContact O-N 3Å; D6-R9 WeakPolarHBondContact OD2-CD 3.31Å; D6-R9 IonicContact OD2-NH1 2.72Å
7	K	29.8	Very low	29	Very low	166 Å²	166	128.6 Å²	128.6	72%	0.722	68%	0.681	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62.9	-17.8	162.7	-74.5	-172.4	175.8	-173.2	0	113.5
8	S	30.9	Very low	28.9	Very low	69 Å²	69	127.4 Å²	127.4	48%	0.483	69%	0.692	S	S	.	*	H	α-helix	trans	-77.1	-24.1	-172.8	90.3	0	0	0	0	114.2	D6	D6-S8 PolarHBondContact O-N 3Å
9	R	31.3	Very low	28.6	Very low	189 Å²	189	126.5 Å²	126.5	71%	0.713	70%	0.697	S	S	*	*	H	α-helix	trans	-73.9	-31.2	-171.3	-134.4	171.6	179.7	177.8	1	113.4	D6	D6-R9 WeakPolarHBondContact OD2-CD 3.31Å; D6-R9 IonicContact OD2-NH1 2.72Å
10	Y	30.3	Very low	28.3	Very low	125 Å²	125	125.9 Å²	125.9	49%	0.49	70%	0.701	S	S	.	*	H	α-helix	trans	-82.8	-32.3	178.4	-68.6	-76.9	0	0	0	113	R12 A13 M71	Y10-R12 VanDerWaalsContact C-N 3.34Å; Y10-R12 PolarHBondContact O-N 3.15Å; Y10-A13 PolarHBondContact O-N 2.91Å; Y10-M71 HydrophobicContact CD1-CE 3.99Å; Y10-M71 HydrophobicContact CD1-CG 4.47Å; Y10-M71 HydrophobicContact CE1-CE 3.59Å; Y10-M71 HydrophobicContact CE1-CG 4.41Å
11	L	29.4	Very low	28.2	Very low	107 Å²	107	128.4 Å²	128.4	56%	0.56	71%	0.713	S	S	*	*	H	α-helix	trans	-65.3	-32.9	179.2	-80	160.7	0	0	0	113.1	A13 I14	L11-A13 PolarHBondContact O-N 3.37Å; L11-I14 HydrophobicContact CD2-CD1 4.3Å; L11-I14 WeakPolarHBondContact O-CB 3.29Å; L11-I14 PolarHBondContact O-N 3Å; L11-I14 VanDerWaalsContact O-N 3.07Å
12	R	30.4	Very low	28	Very low	200 Å²	200	124.5 Å²	124.5	76%	0.755	70%	0.697	S	S	*	*	G	3₁₀ helix	trans	-67.6	-21.9	177	-74.7	-172.9	-172.6	176.8	3.2	114	Y10 I14 S15	Y10-R12 VanDerWaalsContact C-N 3.34Å; Y10-R12 PolarHBondContact O-N 3.15Å; R12-I14 PolarHBondContact O-N 2.99Å; R12-S15 PolarHBondContact O-OG 3.18Å
13	A	32	Very low	27.7	Very low	64 Å²	64	124.5 Å²	124.5	53%	0.529	70%	0.697	S	S	.	*	G	3₁₀ helix	trans	-80	-6.5	174.3	0	0	0	0	0	112.9	Y10 L11	Y10-A13 PolarHBondContact O-N 2.91Å; L11-A13 PolarHBondContact O-N 3.37Å
14	I	33	Very low	27.6	Very low	66 Å²	66	117.4 Å²	117.4	34%	0.338	69%	0.688	S	S	.	*	G	3₁₀ helix	trans	-94.2	-13.9	-178.6	-57.3	176.3	0	0	0	110.9	L11 R12 P35	L11-I14 HydrophobicContact CD2-CD1 4.3Å; L11-I14 WeakPolarHBondContact O-CB 3.29Å; L11-I14 PolarHBondContact O-N 3Å; L11-I14 VanDerWaalsContact O-N 3.07Å; R12-I14 PolarHBondContact O-N 2.99Å; I14-P35 HydrophobicContact CD1-CG 4.43Å
15	S	27.1	Very low	27.5	Very low	87 Å²	87	119.1 Å²	119.1	61%	0.608	69%	0.692	S	S	*	*			trans	-115.6	23.9	-164.9	65.3	0	0	0	0	116.6	R12 P17	R12-S15 PolarHBondContact O-OG 3.18Å; S15-P17 VanDerWaalsContact O-CD 3.31Å; S15-P17 WeakPolarHBondContact O-CD 3.48Å
16	S	22.6	Very low	27.4	Very low	104 Å²	104	122.4 Å²	122.4	73%	0.727	70%	0.698	S	S	*	*			trans	-106.7	98.8	172.8	65.7	0	0	0	0	111.9
17	P	26.4	Very low	26.9	Very low	113 Å²	113	123.4 Å²	123.4	73%	0.734	72%	0.718	S	S	*	*			trans	-79.5	128.5	154.9	17.3	-2.4	0	0	0	108.3	S15 S19	S15-P17 VanDerWaalsContact O-CD 3.31Å; S15-P17 WeakPolarHBondContact O-CD 3.48Å; P17-S19 PolarHBondContact O-N 2.86Å; P17-S19 VanDerWaalsContact O-N 3.17Å
18	A	26.3	Very low	26.8	Very low	107 Å²	107	120.2 Å²	120.2	88%	0.884	72%	0.723	S	S	*	*			trans	-64	112.2	168.6	0	0	0	0	0	108.8
19	S	22.8	Very low	26.7	Very low	111 Å²	111	122.5 Å²	122.5	78%	0.776	73%	0.73	S	S	*	*			trans	-82.6	113.4	168.4	47.7	0	0	0	0	109.4	P17	P17-S19 PolarHBondContact O-N 2.86Å; P17-S19 VanDerWaalsContact O-N 3.17Å
20	S	23.7	Very low	26.8	Very low	113 Å²	113	122.5 Å²	122.5	79%	0.79	74%	0.738	S	S	*	*			trans	150.7	96.5	142.3	51.8	0	0	0	0	110
21	L	26.2	Very low	27.1	Very low	179 Å²	179	125 Å²	125	94%	0.937	75%	0.751	S	S	*	*			trans	-160	119.9	145.3	-99.1	162.3	0	0	0	107.5
22	N	24.2	Very low	27.8	Very low	173 Å²	173	125.5 Å²	125.5	93%	0.925	76%	0.763	S	S	*	*			trans	-66.5	147.9	-178.1	-73.3	-33	0	0	0	112.4
23	G	24.4	Very low	29.3	Very low	68 Å²	68	123.1 Å²	123.1	70%	0.701	76%	0.755	S	S	*	*			trans	115.8	91.7	147.3	0	0	0	0	0	117.1
24	S	23.2	Very low	31.6	Very low	116 Å²	116	124 Å²	124	81%	0.811	76%	0.762	S	S	*	*	S	Bend	trans	54	126.1	143.8	53.6	0	0	0	0	121.1
25	E	24.2	Very low	34.2	Very low	191 Å²	191	121.9 Å²	121.9	89%	0.893	75%	0.753	S	S	*	*			trans	81.2	55.6	161.7	-61.3	-172.7	162.8	0	0	119.1
26	V	23.9	Very low	37	Very low	135 Å²	135	122 Å²	122	82%	0.818	74%	0.74	S	S	*	*			trans	-141.5	82.3	151.7	-169.9	0	0	0	0	109.6
27	A	23.9	Very low	40.1	Very low	108 Å²	108	122.9 Å²	122.9	89%	0.893	74%	0.736	S	S	*	*			trans	-127.8	72.6	175.7	0	0	0	0	0	110.2
28	A	27.1	Very low	43	Very low	100 Å²	100	117.6 Å²	117.6	83%	0.826	70%	0.702	S	S	*	*	S	Bend	trans	-157.8	-7.2	165.1	0	0	0	0	0	115.8
29	D	29.3	Very low	46	Very low	116 Å²	116	112.9 Å²	112.9	62%	0.62	66%	0.661	S	S	*	*			trans	-135.8	21.9	-167.7	-142.5	36.8	0	0	0	116.1	K31 K106	D29-K31 VanDerWaalsContact C-N 3.29Å; D29-K31 PolarHBondContact O-N 2.86Å; D29-K106 IonicContact OD2-NZ 3.73Å; D29-K106 PolarHBondContact OD2-NZ 3.4Å
30	E	31.7	Very low	49.3	Very low	190 Å²	190	109.9 Å²	109.9	89%	0.888	64%	0.636	S	S	*	*			trans	-87.9	57.8	168.6	-77.7	-166.3	151.5	0	0	111.9	C32	E30-C32 VanDerWaalsContact C-N 3.33Å; E30-C32 PolarHBondContact O-N 2.88Å; E30-C32 VanDerWaalsContact O-N 3.14Å
31	K	37.1	Very low	52.5	Low	176 Å²	176	106.3 Å²	106.3	77%	0.765	61%	0.612	S	S	*	*			trans	-76.2	96.1	153.7	-87	-178	178.7	173.3	0	107	D29 Y33	D29-K31 VanDerWaalsContact C-N 3.29Å; D29-K31 PolarHBondContact O-N 2.86Å; K31-Y33 VanDerWaalsContact O-CD2 3.28Å; K31-Y33 WeakPolarHBondContact O-CD2 3.31Å; K31-Y33 PolarHBondContact O-N 3.44Å
32	C	44.2	Very low	55.7	Low	118 Å²	118	97.9 Å²	97.9	80%	0.797	57%	0.567	S	S	*	*			trans	-53.7	103.2	168	-163.5	0	0	0	0	107.9	E30 A34	E30-C32 VanDerWaalsContact C-N 3.33Å; E30-C32 PolarHBondContact O-N 2.88Å; E30-C32 VanDerWaalsContact O-N 3.14Å; C32-A34 PolarHBondContact O-N 3.11Å
33	Y	61.8	Low	59	Low	150 Å²	150	89.7 Å²	89.7	59%	0.588	52%	0.523	S	S	*	.			trans	-71.9	92.1	-172.8	-98.9	-91.1	0	0	0	109.1	K31 P35	K31-Y33 VanDerWaalsContact O-CD2 3.28Å; K31-Y33 WeakPolarHBondContact O-CD2 3.31Å; K31-Y33 PolarHBondContact O-N 3.44Å; Y33-P35 WeakPolarHBondContact O-CD 3.18Å
34	A	81.5	Confident	62.4	Low	82 Å²	82	89.9 Å²	89.9	68%	0.678	51%	0.506	S	S	*	.	P	Polyproline II helix	trans	-62.8	120.8	169.8	0	0	0	0	0	108.9	C32	C32-A34 PolarHBondContact O-N 3.11Å
35	P	86.6	Confident	65.7	Low	23 Å²	23	87.3 Å²	87.3	15%	0.149	48%	0.481	C	S	.	.	P	Polyproline II helix	trans	-65.8	143.3	177.3	25.9	-30.9	0	0	0	110.2	I14 Y33 I40 L63 L67	I14-P35 HydrophobicContact CD1-CG 4.43Å; Y33-P35 WeakPolarHBondContact O-CD 3.18Å; P35-I40 HydrophobicContact CB-CD1 4.41Å; P35-I40 HydrophobicContact CB-CG1 3.96Å; P35-I40 HydrophobicContact CG-CD1 4.05Å; P35-I40 HydrophobicContact CG-CG1 3.96Å; P35-L63 HydrophobicContact CB-CD2 4.22Å; P35-L67 HydrophobicContact CB-CD1 3.86Å; P35-L67 HydrophobicContact CB-CD2 4.45Å; P35-L67 HydrophobicContact CG-CD2 4.37Å
36	R	86.7	Confident	69.1	Low	88 Å²	88	78.3 Å²	78.3	33%	0.332	44%	0.439	S	S	.	.	P	Polyproline II helix	trans	-74.5	152.9	177.5	-57.9	172.5	-176.7	171.6	-9.2	110	Y38 Q39 I40	R36-Y38 VanDerWaalsContact C-N 3.28Å; R36-Y38 HydrophobicContact CB-CD1 3.84Å; R36-Y38 HydrophobicContact CB-CE1 3.75Å; R36-Y38 HydrophobicContact CG-CE1 4.2Å; R36-Y38 PolarHBondContact NH1-OH 3.34Å; R36-Y38 PolarHBondContact O-N 3.36Å; R36-Q39 HydrophobicContact CB-CG 4.19Å; R36-Q39 WeakPolarHBondContact O-CA 3.45Å; R36-Q39 WeakPolarHBondContact O-CB 3.39Å; R36-Q39 PolarHBondContact O-N 3.07Å; R36-I40 PolarHBondContact O-N 2.85Å; R36-I40 VanDerWaalsContact O-N 3.12Å
37	D	87.1	Confident	72.5	Confident	123 Å²	123	73.7 Å²	73.7	66%	0.658	41%	0.411	S	S	*	.	H	α-helix	trans	-52.3	-44.5	-178.2	-67	-21.9	0	0	0	112.9	Q39 I40 S41	D37-Q39 VanDerWaalsContact C-N 3.27Å; D37-Q39 PolarHBondContact O-N 3.15Å; D37-I40 PolarHBondContact O-N 2.84Å; D37-S41 PolarHBondContact O-N 3.35Å; D37-S41 PolarHBondContact O-OG 3.38Å
38	Y	87.1	Confident	75.9	Confident	3 Å²	3	75.8 Å²	75.8	1%	0.012	40%	0.402	C	S	.	.	H	α-helix	trans	-63.3	-32.9	177.9	77.9	-100.3	0	0	0	113	R36 L42 L55 S59 W233 A237 Y240	R36-Y38 VanDerWaalsContact C-N 3.28Å; R36-Y38 HydrophobicContact CB-CD1 3.84Å; R36-Y38 HydrophobicContact CB-CE1 3.75Å; R36-Y38 HydrophobicContact CG-CE1 4.2Å; R36-Y38 PolarHBondContact NH1-OH 3.34Å; R36-Y38 PolarHBondContact O-N 3.36Å; Y38-L42 HydrophobicContact CD2-CD1 4.07Å; Y38-L42 VanDerWaalsContact O-CB 3.28Å; Y38-L42 WeakPolarHBondContact O-CB 3.47Å; Y38-L42 WeakPolarHBondContact O-CD1 3.41Å; Y38-L42 WeakPolarHBondContact O-CG 3.36Å; Y38-L42 PolarHBondContact O-N 2.59Å; Y38-L55 HydrophobicContact CD2-CD1 4.39Å; Y38-L55 HydrophobicContact CE2-CD1 3.91Å; Y38-S59 PolarHBondContact OH-O 2.92Å; Y38-W233 VanDerWaalsContact CA-CE3 3.5Å; Y38-W233 HydrophobicContact CG-CE3 4.47Å; Y38-A237 HydrophobicContact CD2-CB 4.44Å; Y38-A237 HydrophobicContact CE1-CB 4.28Å; Y38-A237 HydrophobicContact CE2-CB 4.1Å; Y38-Y240 HydrophobicContact CD1-CD2 4.44Å; Y38-Y240 HydrophobicContact CD1-CE2 4.38Å; Y38-Y240 HydrophobicContact CE1-CD2 4.01Å; Y38-Y240 HydrophobicContact CE1-CE2 4.34Å
39	Q	90.3	Very high	79	Confident	7 Å²	7	74.1 Å²	74.1	3%	0.033	38%	0.377	C	S	.	.	H	α-helix	trans	-70.7	-38.5	179.3	-62.6	175.2	-57.2	0	0	110.4	R36 D37 A43 S59 G60 I64 L67	R36-Q39 HydrophobicContact CB-CG 4.19Å; R36-Q39 WeakPolarHBondContact O-CA 3.45Å; R36-Q39 WeakPolarHBondContact O-CB 3.39Å; R36-Q39 PolarHBondContact O-N 3.07Å; D37-Q39 VanDerWaalsContact C-N 3.27Å; D37-Q39 PolarHBondContact O-N 3.15Å; Q39-A43 WeakPolarHBondContact O-CB 3.28Å; Q39-A43 PolarHBondContact O-N 3.41Å; Q39-A43 VanDerWaalsContact O-N 3.11Å; Q39-S59 PolarHBondContact NE2-O 3.48Å; Q39-G60 PolarHBondContact NE2-O 3.27Å; Q39-G60 VanDerWaalsContact NE2-O 3.14Å; Q39-I64 HydrophobicContact CB-CG1 3.96Å; Q39-I64 HydrophobicContact CG-CD1 4.45Å; Q39-I64 HydrophobicContact CG-CG1 4.03Å; Q39-L67 HydrophobicContact CB-CD1 4.23Å
40	I	91.4	Very high	82.1	Confident	49 Å²	49	69.7 Å²	69.7	25%	0.251	35%	0.353	S	S	.	.	H	α-helix	trans	-65.4	-52.9	175.4	-59.3	169.9	0	0	0	109.6	P35 R36 D37 L42 A43 E44	P35-I40 HydrophobicContact CB-CD1 4.41Å; P35-I40 HydrophobicContact CB-CG1 3.96Å; P35-I40 HydrophobicContact CG-CD1 4.05Å; P35-I40 HydrophobicContact CG-CG1 3.96Å; R36-I40 PolarHBondContact O-N 2.85Å; R36-I40 VanDerWaalsContact O-N 3.12Å; D37-I40 PolarHBondContact O-N 2.84Å; I40-L42 VanDerWaalsContact C-N 3.33Å; I40-L42 PolarHBondContact O-N 3.13Å; I40-A43 WeakPolarHBondContact O-CB 3.19Å; I40-A43 PolarHBondContact O-N 2.97Å; I40-A43 VanDerWaalsContact O-N 3.08Å; I40-E44 HydrophobicContact CG2-CG 4.38Å; I40-E44 WeakPolarHBondContact O-CG 3.14Å; I40-E44 PolarHBondContact O-N 3.43Å
41	S	91.3	Very high	85.1	Confident	38 Å²	38	60.6 Å²	60.6	27%	0.266	31%	0.311	S	S	.	.	H	α-helix	trans	-62.1	-38.1	-178	-63.9	0	0	0	0	113.2	D37 K45 W233	D37-S41 PolarHBondContact O-N 3.35Å; D37-S41 PolarHBondContact O-OG 3.38Å; S41-K45 WeakPolarHBondContact O-CB 3.36Å; S41-K45 PolarHBondContact O-N 3.13Å; S41-W233 WeakPolarHBondContact OG-CZ2 3.43Å
42	L	92.5	Very high	87.8	Confident	1 Å²	1	52.2 Å²	52.2	1%	0.005	28%	0.275	C	S	.	.	H	α-helix	trans	-67	-38.2	174.2	-73.8	172.5	0	0	0	112.2	Y38 I40 K45 A46 I53 L55 I64 E229 W233	Y38-L42 HydrophobicContact CD2-CD1 4.07Å; Y38-L42 VanDerWaalsContact O-CB 3.28Å; Y38-L42 WeakPolarHBondContact O-CB 3.47Å; Y38-L42 WeakPolarHBondContact O-CD1 3.41Å; Y38-L42 WeakPolarHBondContact O-CG 3.36Å; Y38-L42 PolarHBondContact O-N 2.59Å; I40-L42 VanDerWaalsContact C-N 3.33Å; I40-L42 PolarHBondContact O-N 3.13Å; L42-K45 PolarHBondContact O-N 3.21Å; L42-A46 WeakPolarHBondContact O-CB 3.44Å; L42-A46 PolarHBondContact O-N 2.88Å; L42-I53 HydrophobicContact CB-CD1 4Å; L42-I53 HydrophobicContact CD1-CD1 4.29Å; L42-I53 HydrophobicContact CD1-CG2 4.06Å; L42-I53 HydrophobicContact CD2-CD1 4.36Å; L42-I53 HydrophobicContact CG-CD1 4.46Å; L42-L55 HydrophobicContact CD1-CD1 4.02Å; L42-I64 HydrophobicContact CB-CD1 4.39Å; L42-I64 HydrophobicContact CB-CG2 4.11Å; L42-I64 HydrophobicContact CD1-CD1 3.81Å; L42-E229 HydrophobicContact CD2-CB 4.24Å; L42-E229 HydrophobicContact CD2-CG 3.58Å; L42-W233 HydrophobicContact CD1-CB 4.2Å; L42-W233 HydrophobicContact CD2-CB 4.45Å; L42-W233 HydrophobicContact CD2-CG 4.29Å; L42-W233 HydrophobicContact CG-CB 4.4Å; L42-W233 HydrophobicContact CG-CG 4.23Å
43	A	94.3	Very high	90.1	Very high	1 Å²	1	46.6 Å²	46.6	1%	0.008	24%	0.237	C	C	.	.	H	α-helix	trans	-67.1	-42.8	175.9	0	0	0	0	0	111.7	Q39 I40 K45 A46 V47 I64 L67 M71	Q39-A43 WeakPolarHBondContact O-CB 3.28Å; Q39-A43 PolarHBondContact O-N 3.41Å; Q39-A43 VanDerWaalsContact O-N 3.11Å; I40-A43 WeakPolarHBondContact O-CB 3.19Å; I40-A43 PolarHBondContact O-N 2.97Å; I40-A43 VanDerWaalsContact O-N 3.08Å; A43-K45 PolarHBondContact O-N 3.18Å; A43-A46 WeakPolarHBondContact O-CB 3.44Å; A43-A46 PolarHBondContact O-N 3.26Å; A43-V47 PolarHBondContact O-N 3Å; A43-V47 VanDerWaalsContact O-N 3.14Å; A43-I64 HydrophobicContact CB-CG2 4.22Å; A43-L67 HydrophobicContact CB-CB 3.67Å; A43-L67 HydrophobicContact CB-CD1 4.37Å; A43-M71 HydrophobicContact CB-SD 4.11Å
44	E	94.7	Very high	91.4	Very high	72 Å²	72	39.5 Å²	39.5	34%	0.336	21%	0.209	S	C	.	.	H	α-helix	trans	-58.4	-46.7	174	-73.4	173.4	161	0	0	111.3	I40 A46 V47 M71	I40-E44 HydrophobicContact CG2-CG 4.38Å; I40-E44 WeakPolarHBondContact O-CG 3.14Å; I40-E44 PolarHBondContact O-N 3.43Å; E44-A46 VanDerWaalsContact C-N 3.29Å; E44-A46 PolarHBondContact O-N 3.28Å; E44-V47 WeakPolarHBondContact O-CB 3.28Å; E44-V47 PolarHBondContact O-N 3.25Å; E44-V47 VanDerWaalsContact O-N 3.14Å; E44-M71 HydrophobicContact CB-CE 4.4Å; E44-M71 HydrophobicContact CG-CE 3.68Å; E44-M71 HydrophobicContact CG-SD 4.49Å
45	K	93.8	Very high	91.6	Very high	63 Å²	63	35.7 Å²	35.7	27%	0.274	18%	0.177	S	C	.	.	H	α-helix	trans	-64.4	-33.6	176.8	-163.3	173.4	-175.6	173.5	0	112.4	S41 L42 A43 V47 E48 Q49 L51 E229	S41-K45 WeakPolarHBondContact O-CB 3.36Å; S41-K45 PolarHBondContact O-N 3.13Å; L42-K45 PolarHBondContact O-N 3.21Å; A43-K45 PolarHBondContact O-N 3.18Å; K45-V47 VanDerWaalsContact C-N 3.28Å; K45-V47 PolarHBondContact O-N 3.13Å; K45-E48 PolarHBondContact O-N 2.74Å; K45-Q49 HydrophobicContact CG-CG 4.44Å; K45-Q49 WeakPolarHBondContact O-CG 3.46Å; K45-Q49 PolarHBondContact O-N 2.92Å; K45-Q49 VanDerWaalsContact O-N 3.14Å; K45-L51 HydrophobicContact CB-CD1 3.82Å; K45-L51 HydrophobicContact CD-CD1 4.33Å; K45-L51 HydrophobicContact CG-CD1 3.9Å; K45-E229 HydrophobicContact CD-CG 4.43Å; K45-E229 VanDerWaalsContact CE-OE2 3.32Å; K45-E229 WeakPolarHBondContact CE-OE2 3.32Å; K45-E229 IonicContact NZ-OE1 3.91Å; K45-E229 PolarHBondContact NZ-OE1 3.41Å; K45-E229 IonicContact NZ-OE2 3Å; K45-E229 PolarHBondContact NZ-OE2 2.93Å
46	A	95.1	Very high	91.2	Very high	2 Å²	2	35.2 Å²	35.2	2%	0.017	17%	0.172	C	C	.	.	H	α-helix	trans	-71.1	-19.7	176.4	0	0	0	0	0	113.8	L42 A43 E44 E48 Q49 L51 L68 L197	L42-A46 WeakPolarHBondContact O-CB 3.44Å; L42-A46 PolarHBondContact O-N 2.88Å; A43-A46 WeakPolarHBondContact O-CB 3.44Å; A43-A46 PolarHBondContact O-N 3.26Å; E44-A46 VanDerWaalsContact C-N 3.29Å; E44-A46 PolarHBondContact O-N 3.28Å; A46-E48 VanDerWaalsContact C-N 3.35Å; A46-Q49 CarbonylContact C-O 3.49Å; A46-Q49 WeakPolarHBondContact CA-O 3.45Å; A46-L51 HydrophobicContact CB-CD1 3.93Å; A46-L51 HydrophobicContact CB-CG 4.48Å; A46-L68 HydrophobicContact CB-CD1 3.95Å; A46-L68 HydrophobicContact CB-CD2 3.91Å; A46-L68 HydrophobicContact CB-CG 4.42Å; A46-L197 HydrophobicContact CB-CD1 4.17Å
47	V	95.7	Very high	90.7	Very high	38 Å²	38	32.3 Å²	32.3	23%	0.23	16%	0.164	C	C	.	.	H	α-helix	trans	-69.1	-38.9	171.2	171.1	0	0	0	0	110.2	A43 E44 K45 L68 M71 L72 R195	A43-V47 PolarHBondContact O-N 3Å; A43-V47 VanDerWaalsContact O-N 3.14Å; E44-V47 WeakPolarHBondContact O-CB 3.28Å; E44-V47 PolarHBondContact O-N 3.25Å; E44-V47 VanDerWaalsContact O-N 3.14Å; K45-V47 VanDerWaalsContact C-N 3.28Å; K45-V47 PolarHBondContact O-N 3.13Å; V47-L68 HydrophobicContact CB-CD1 4.45Å; V47-L68 HydrophobicContact CG2-CD1 3.64Å; V47-M71 HydrophobicContact CG2-CB 3.94Å; V47-M71 HydrophobicContact CG2-CE 3.93Å; V47-M71 HydrophobicContact CG2-SD 4.01Å; V47-L72 HydrophobicContact CG1-CD2 4.18Å; V47-L72 HydrophobicContact CG2-CG 4.42Å; V47-R195 PolarHBondContact O-NE 3.03Å
48	E	93.7	Very high	90	Very high	152 Å²	152	28.5 Å²	28.5	71%	0.71	15%	0.154	S	C	*	.	H	α-helix	trans	-79.7	-40.7	-174.9	-62.8	-179.4	174.3	0	0	112.3	K45 A46 R195	K45-E48 PolarHBondContact O-N 2.74Å; A46-E48 VanDerWaalsContact C-N 3.35Å; E48-R195 PolarHBondContact O-NH2 3.44Å
49	Q	93.1	Very high	89.6	Confident	64 Å²	64	28.5 Å²	28.5	30%	0.299	16%	0.155	S	C	.	.	S	Bend	trans	-143.9	163.4	-174	60.9	174.8	13	0	0	112.9	K45 A46 L51	K45-Q49 HydrophobicContact CG-CG 4.44Å; K45-Q49 WeakPolarHBondContact O-CG 3.46Å; K45-Q49 PolarHBondContact O-N 2.92Å; K45-Q49 VanDerWaalsContact O-N 3.14Å; A46-Q49 CarbonylContact C-O 3.49Å; A46-Q49 WeakPolarHBondContact CA-O 3.45Å; Q49-L51 HydrophobicContact CG-CD2 4.16Å; Q49-L51 HydrophobicContact CG-CG 4.3Å
50	N	95.3	Very high	89.2	Confident	23 Å²	23	29.3 Å²	29.3	12%	0.123	17%	0.165	C	C	.	.			trans	-72.4	131.3	174.6	-67.6	-11.6	0	0	0	111	Y185 R195 I196 C225 R227	N50-Y185 PolarHBondContact ND2-OH 3.45Å; N50-R195 WeakPolarHBondContact OD1-CA 3.42Å; N50-I196 VanDerWaalsContact CA-O 3.31Å; N50-I196 WeakPolarHBondContact CA-O 3.44Å; N50-I196 HydrophobicContact CB-CB 4.16Å; N50-I196 PolarHBondContact OD1-N 3.35Å; N50-C225 WeakPolarHBondContact CB-O 3.44Å; N50-C225 PolarHBondContact ND2-O 3.25Å; N50-R227 PolarHBondContact O-N 3.25Å; N50-R227 VanDerWaalsContact O-N 3.1Å
51	L	94.3	Very high	89	Confident	0 Å²	0	27.8 Å²	27.8	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	143.3	-173.1	-75.5	-175.3	0	0	0	112.6	K45 A46 Q49 I53 I196 L197 G198 R227 E229	K45-L51 HydrophobicContact CB-CD1 3.82Å; K45-L51 HydrophobicContact CD-CD1 4.33Å; K45-L51 HydrophobicContact CG-CD1 3.9Å; A46-L51 HydrophobicContact CB-CD1 3.93Å; A46-L51 HydrophobicContact CB-CG 4.48Å; Q49-L51 HydrophobicContact CG-CD2 4.16Å; Q49-L51 HydrophobicContact CG-CG 4.3Å; L51-I53 HydrophobicContact CB-CG1 4.36Å; L51-I196 PolarHBondContact N-O 2.78Å; L51-L197 HydrophobicContact CB-CD1 4.14Å; L51-L197 CarbonylContact O-C 3.56Å; L51-L197 WeakPolarHBondContact O-CA 3.07Å; L51-G198 PolarHBondContact O-N 2.83Å; L51-R227 CarbonylContact C-O 3.51Å; L51-R227 WeakPolarHBondContact CA-O 3.46Å; L51-E229 HydrophobicContact CD2-CB 4.11Å
52	L	93.9	Very high	88.9	Confident	0 Å²	0	27 Å²	27	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	119.4	165.3	-164	167.9	0	0	0	107.9	P54 G198 T200 V203 L220 L224 R227 I228 E229	L52-P54 VanDerWaalsContact O-CD 3.26Å; L52-P54 WeakPolarHBondContact O-CD 3.47Å; L52-G198 CarbonylContact C-O 3.6Å; L52-G198 WeakPolarHBondContact CA-O 3.39Å; L52-T200 HydrophobicContact CD2-CG2 3.81Å; L52-V203 HydrophobicContact CD2-CG1 3.88Å; L52-L220 HydrophobicContact CD1-CD2 3.61Å; L52-L220 HydrophobicContact CD1-CG 3.64Å; L52-L224 HydrophobicContact CD1-CD1 4.05Å; L52-R227 PolarHBondContact N-O 2.94Å; L52-I228 HydrophobicContact CB-CG1 4.03Å; L52-I228 HydrophobicContact CD1-CG1 4.01Å; L52-I228 HydrophobicContact CD2-CG1 4.13Å; L52-I228 HydrophobicContact CG-CG1 4.26Å; L52-I228 WeakPolarHBondContact O-CA 3.34Å; L52-E229 PolarHBondContact O-N 3.2Å
53	I	92.4	Very high	88.9	Confident	0 Å²	0	27.5 Å²	27.5	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	101.2	-174.1	-60.6	-179.5	0	0	0	109.2	L42 L51 L55 I64 L197 G198 L199 T200	L42-I53 HydrophobicContact CB-CD1 4Å; L42-I53 HydrophobicContact CD1-CD1 4.29Å; L42-I53 HydrophobicContact CD1-CG2 4.06Å; L42-I53 HydrophobicContact CD2-CD1 4.36Å; L42-I53 HydrophobicContact CG-CD1 4.46Å; L51-I53 HydrophobicContact CB-CG1 4.36Å; I53-L55 HydrophobicContact CG2-CB 4.33Å; I53-L55 HydrophobicContact CG2-CD1 3.51Å; I53-L55 HydrophobicContact CG2-CG 3.51Å; I53-L55 PolarHBondContact O-N 3.48Å; I53-I64 HydrophobicContact CD1-CD1 4.33Å; I53-I64 HydrophobicContact CD1-CG2 3.82Å; I53-I64 HydrophobicContact CG2-CD1 4.27Å; I53-L197 HydrophobicContact CD1-CD1 3.68Å; I53-L197 HydrophobicContact CG1-CD1 4.13Å; I53-G198 PolarHBondContact N-O 2.83Å; I53-L199 HydrophobicContact CB-CD2 4.05Å; I53-L199 HydrophobicContact CD1-CD2 4.32Å; I53-T200 PolarHBondContact O-N 3.07Å; I53-T200 VanDerWaalsContact O-N 3.17Å
54	P	89.2	Confident	88.9	Confident	0 Å²	0	27.4 Å²	27.4	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	89.7	174.3	35.1	-34.3	0	0	0	110.4	L52 T200 V203 I228 A230 F234 L546	L52-P54 VanDerWaalsContact O-CD 3.26Å; L52-P54 WeakPolarHBondContact O-CD 3.47Å; P54-T200 CarbonylContact C-O 3.55Å; P54-T200 VanDerWaalsContact CA-O 3.31Å; P54-T200 WeakPolarHBondContact CA-O 3.47Å; P54-T200 HydrophobicContact CB-CG2 4.42Å; P54-V203 HydrophobicContact CB-CG1 3.94Å; P54-I228 HydrophobicContact CG-CG2 4Å; P54-A230 HydrophobicContact CG-CB 4.08Å; P54-F234 VanDerWaalsContact O-CD2 3.24Å; P54-F234 WeakPolarHBondContact O-CD2 3.21Å; P54-L546 HydrophobicContact CB-CD1 4.4Å; P54-L546 HydrophobicContact CB-CD2 4.07Å; P54-L546 HydrophobicContact CG-CD1 4.1Å; P54-L546 HydrophobicContact CG-CD2 4.39Å; P54-L546 HydrophobicContact CG-CG 4.45Å
55	L	85.5	Confident	88.9	Confident	3 Å²	3	24 Å²	24	2%	0.016	14%	0.136	C	C	.	.			trans	-117.1	141.3	177.5	-71.9	176.3	0	0	0	111.2	Y38 L42 I53 K61 I64 T200 A201 A237	Y38-L55 HydrophobicContact CD2-CD1 4.39Å; Y38-L55 HydrophobicContact CE2-CD1 3.91Å; L42-L55 HydrophobicContact CD1-CD1 4.02Å; I53-L55 HydrophobicContact CG2-CB 4.33Å; I53-L55 HydrophobicContact CG2-CD1 3.51Å; I53-L55 HydrophobicContact CG2-CG 3.51Å; I53-L55 PolarHBondContact O-N 3.48Å; L55-K61 HydrophobicContact CB-CD 4.09Å; L55-K61 HydrophobicContact CB-CG 3.8Å; L55-K61 HydrophobicContact CD1-CG 4.48Å; L55-K61 WeakPolarHBondContact O-CD 3.47Å; L55-K61 PolarHBondContact O-NZ 3.48Å; L55-I64 HydrophobicContact CD1-CD1 3.62Å; L55-T200 PolarHBondContact N-O 2.82Å; L55-A201 VanDerWaalsContact O-CA 3.29Å; L55-A201 WeakPolarHBondContact O-CA 3.48Å; L55-A237 HydrophobicContact CD2-CB 3.51Å
56	R	77.4	Confident	88.9	Confident	13 Å²	13	21.1 Å²	21.1	5%	0.049	12%	0.124	C	C	.	.			trans	-52.6	152	176.4	-69	-177.9	174.8	-176.8	-4.1	111.3	G58 S59 K61 E243 E543	R56-G58 PolarHBondContact O-N 2.81Å; R56-S59 WeakPolarHBondContact O-CB 3.47Å; R56-S59 PolarHBondContact O-N 3.35Å; R56-S59 PolarHBondContact O-OG 3.38Å; R56-S59 VanDerWaalsContact O-OG 3.11Å; R56-K61 PolarHBondContact O-NZ 2.91Å; R56-E243 IonicContact CZ-OE1 3.68Å; R56-E243 IonicContact NH1-OE1 2.66Å; R56-E243 IonicContact NH1-OE2 2.9Å; R56-E243 IonicContact NH2-OE1 3.63Å; R56-E243 PolarHBondContact NH2-OE1 3.44Å; R56-E543 IonicContact CZ-OE1 3.61Å; R56-E543 IonicContact NE-OE1 3.1Å; R56-E543 PolarHBondContact NE-OE1 2.86Å; R56-E543 IonicContact NH2-OE1 3.09Å; R56-E543 PolarHBondContact NH2-OE1 2.65Å; R56-E543 IonicContact NH2-OE2 2.82Å
57	T	76.6	Confident	88.9	Confident	26 Å²	26	22.2 Å²	22.2	16%	0.16	13%	0.129	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.9	133.7	175.1	14.8	0	0	0	0	109.4	A201 G511	T57-A201 HydrophobicContact CG2-CB 4.28Å; T57-G511 VanDerWaalsContact CB-CA 3.45Å; T57-G511 WeakPolarHBondContact OG1-CA 3.2Å; T57-G511 PolarHBondContact OG1-N 2.94Å
58	G	72.3	Confident	88.9	Confident	44 Å²	44	20.4 Å²	20.4	45%	0.454	12%	0.118	S	C	.	.	T	Hydrogen-bonded Turn	trans	92.9	-11.1	-172.8	0	0	0	0	0	116.4	R56 G60	R56-G58 PolarHBondContact O-N 2.81Å; G58-G60 PolarHBondContact O-N 3.25Å; G58-G60 VanDerWaalsContact O-N 3.08Å
59	S	78.2	Confident	88.9	Confident	2 Å²	2	13.2 Å²	13.2	1%	0.014	9%	0.085	C	C	.	.	S	Bend	trans	-74.2	10.8	174	-52.5	0	0	0	0	113.7	Y38 Q39 R56	Y38-S59 PolarHBondContact OH-O 2.92Å; Q39-S59 PolarHBondContact NE2-O 3.48Å; R56-S59 WeakPolarHBondContact O-CB 3.47Å; R56-S59 PolarHBondContact O-N 3.35Å; R56-S59 PolarHBondContact O-OG 3.38Å; R56-S59 VanDerWaalsContact O-OG 3.11Å
60	G	82.4	Confident	88.9	Confident	25 Å²	25	13 Å²	13	26%	0.258	8%	0.083	S	C	.	.			trans	65.4	44	178	0	0	0	0	0	114	Q39 G58 T62 L63	Q39-G60 PolarHBondContact NE2-O 3.27Å; Q39-G60 VanDerWaalsContact NE2-O 3.14Å; G58-G60 PolarHBondContact O-N 3.25Å; G58-G60 VanDerWaalsContact O-N 3.08Å; G60-T62 VanDerWaalsContact C-N 3.31Å; G60-T62 PolarHBondContact O-N 3.48Å; G60-L63 WeakPolarHBondContact O-CB 3.4Å; G60-L63 PolarHBondContact O-N 3.37Å; G60-L63 VanDerWaalsContact O-N 3.14Å
61	K	88	Confident	88.8	Confident	16 Å²	16	14.5 Å²	14.5	7%	0.07	9%	0.09	C	C	.	.	H	α-helix	trans	-54.6	-44.9	177.2	-70.8	-170	-73.3	-82.6	0	112.6	L55 R56 L63 I64 A65 L199	L55-K61 HydrophobicContact CB-CD 4.09Å; L55-K61 HydrophobicContact CB-CG 3.8Å; L55-K61 HydrophobicContact CD1-CG 4.48Å; L55-K61 WeakPolarHBondContact O-CD 3.47Å; L55-K61 PolarHBondContact O-NZ 3.48Å; R56-K61 PolarHBondContact O-NZ 2.91Å; K61-L63 PolarHBondContact O-N 3.18Å; K61-I64 WeakPolarHBondContact O-CB 3.15Å; K61-I64 PolarHBondContact O-N 2.83Å; K61-A65 PolarHBondContact O-N 2.88Å; K61-L199 HydrophobicContact CB-CD1 4.28Å; K61-L199 HydrophobicContact CB-CD2 4.39Å; K61-L199 HydrophobicContact CD-CB 4.42Å
62	T	89.4	Confident	88.8	Confident	21 Å²	21	15.5 Å²	15.5	13%	0.129	10%	0.095	C	C	.	.	H	α-helix	trans	-58.8	-35.7	178.7	-48	0	0	0	0	112.1	G60 I64 A65 V66 F89 Q100 Y103	G60-T62 VanDerWaalsContact C-N 3.31Å; G60-T62 PolarHBondContact O-N 3.48Å; T62-I64 VanDerWaalsContact C-N 3.26Å; T62-I64 PolarHBondContact O-N 3.4Å; T62-A65 WeakPolarHBondContact O-CB 3.32Å; T62-A65 PolarHBondContact O-N 3Å; T62-A65 VanDerWaalsContact O-N 3.15Å; T62-V66 WeakPolarHBondContact O-CG2 3.35Å; T62-V66 PolarHBondContact O-N 2.75Å; T62-F89 HydrophobicContact CG2-CE2 4.35Å; T62-F89 HydrophobicContact CG2-CZ 4.3Å; T62-Q100 PolarHBondContact OG1-OE1 2.92Å; T62-Y103 HydrophobicContact CG2-CD1 3.37Å; T62-Y103 HydrophobicContact CG2-CE1 3.81Å; T62-Y103 HydrophobicContact CG2-CG 4.07Å
63	L	92	Very high	88.7	Confident	12 Å²	12	16.6 Å²	16.6	6%	0.063	10%	0.103	C	C	.	.	H	α-helix	trans	-62.5	-35.7	178.4	-171.7	58.5	0	0	0	111.7	P35 G60 K61 A65 V66 L67 Y103	P35-L63 HydrophobicContact CB-CD2 4.22Å; G60-L63 WeakPolarHBondContact O-CB 3.4Å; G60-L63 PolarHBondContact O-N 3.37Å; G60-L63 VanDerWaalsContact O-N 3.14Å; K61-L63 PolarHBondContact O-N 3.18Å; L63-A65 VanDerWaalsContact C-N 3.33Å; L63-A65 PolarHBondContact O-N 2.81Å; L63-V66 PolarHBondContact O-N 2.58Å; L63-L67 HydrophobicContact CG-CD1 4.47Å; L63-L67 VanDerWaalsContact O-CG 3.28Å; L63-L67 WeakPolarHBondContact O-CG 3.24Å; L63-L67 PolarHBondContact O-N 3.37Å; L63-Y103 HydrophobicContact CB-CE1 4.4Å
64	I	93.5	Very high	88.6	Confident	0 Å²	0	25.5 Å²	25.5	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-62.1	-43.9	176.1	-55.9	172	0	0	0	110.3	Q39 L42 A43 I53 L55 K61 T62 L67 L68	Q39-I64 HydrophobicContact CB-CG1 3.96Å; Q39-I64 HydrophobicContact CG-CD1 4.45Å; Q39-I64 HydrophobicContact CG-CG1 4.03Å; L42-I64 HydrophobicContact CB-CD1 4.39Å; L42-I64 HydrophobicContact CB-CG2 4.11Å; L42-I64 HydrophobicContact CD1-CD1 3.81Å; A43-I64 HydrophobicContact CB-CG2 4.22Å; I53-I64 HydrophobicContact CD1-CD1 4.33Å; I53-I64 HydrophobicContact CD1-CG2 3.82Å; I53-I64 HydrophobicContact CG2-CD1 4.27Å; L55-I64 HydrophobicContact CD1-CD1 3.62Å; K61-I64 WeakPolarHBondContact O-CB 3.15Å; K61-I64 PolarHBondContact O-N 2.83Å; T62-I64 VanDerWaalsContact C-N 3.26Å; T62-I64 PolarHBondContact O-N 3.4Å; I64-L67 PolarHBondContact O-N 2.95Å; I64-L68 PolarHBondContact O-N 3.31Å
65	A	94.6	Very high	88.7	Confident	0 Å²	0	28.9 Å²	28.9	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-63.4	-41.9	174.9	0	0	0	0	0	112.4	K61 T62 L63 L67 L68 I69 F89 V165 L197 L199	K61-A65 PolarHBondContact O-N 2.88Å; T62-A65 WeakPolarHBondContact O-CB 3.32Å; T62-A65 PolarHBondContact O-N 3Å; T62-A65 VanDerWaalsContact O-N 3.15Å; L63-A65 VanDerWaalsContact C-N 3.33Å; L63-A65 PolarHBondContact O-N 2.81Å; A65-L67 VanDerWaalsContact C-N 3.33Å; A65-L67 PolarHBondContact O-N 3.47Å; A65-L68 PolarHBondContact O-N 3.41Å; A65-I69 WeakPolarHBondContact O-CB 3.47Å; A65-I69 WeakPolarHBondContact O-CG1 3.37Å; A65-I69 PolarHBondContact O-N 3.32Å; A65-F89 HydrophobicContact CB-CD2 4.3Å; A65-F89 HydrophobicContact CB-CE2 3.61Å; A65-V165 HydrophobicContact CB-CG1 3.91Å; A65-V165 HydrophobicContact CB-CG2 4.11Å; A65-L197 HydrophobicContact CB-CD2 3.9Å; A65-L199 HydrophobicContact CB-CD1 3.93Å
66	V	94.3	Very high	88.8	Confident	3 Å²	3	28.7 Å²	28.7	2%	0.018	15%	0.151	C	C	.	.	H	α-helix	trans	-60	-44.5	174.7	174.7	0	0	0	0	110.8	T62 L63 I69 K70 Y103 I104 H107	T62-V66 WeakPolarHBondContact O-CG2 3.35Å; T62-V66 PolarHBondContact O-N 2.75Å; L63-V66 PolarHBondContact O-N 2.58Å; V66-I69 PolarHBondContact O-N 2.88Å; V66-K70 HydrophobicContact CG1-CD 4.08Å; V66-K70 HydrophobicContact CG1-CG 4.43Å; V66-K70 WeakPolarHBondContact O-CB 3.4Å; V66-K70 WeakPolarHBondContact O-CG 3.48Å; V66-K70 PolarHBondContact O-N 3.37Å; V66-Y103 HydrophobicContact CG2-CD1 4.09Å; V66-Y103 HydrophobicContact CG2-CE1 4.19Å; V66-I104 HydrophobicContact CG2-CG1 3.95Å; V66-H107 HydrophobicContact CG1-CB 3.94Å
67	L	94.4	Very high	89.3	Confident	24 Å²	24	33.3 Å²	33.3	13%	0.126	17%	0.169	C	C	.	.	H	α-helix	trans	-60.3	-47.8	176.9	-69.5	172.1	0	0	0	111.4	P35 Q39 A43 L63 I64 A65 I69 K70 M71	P35-L67 HydrophobicContact CB-CD1 3.86Å; P35-L67 HydrophobicContact CB-CD2 4.45Å; P35-L67 HydrophobicContact CG-CD2 4.37Å; Q39-L67 HydrophobicContact CB-CD1 4.23Å; A43-L67 HydrophobicContact CB-CB 3.67Å; A43-L67 HydrophobicContact CB-CD1 4.37Å; L63-L67 HydrophobicContact CG-CD1 4.47Å; L63-L67 VanDerWaalsContact O-CG 3.28Å; L63-L67 WeakPolarHBondContact O-CG 3.24Å; L63-L67 PolarHBondContact O-N 3.37Å; I64-L67 PolarHBondContact O-N 2.95Å; A65-L67 VanDerWaalsContact C-N 3.33Å; A65-L67 PolarHBondContact O-N 3.47Å; L67-I69 PolarHBondContact O-N 3.29Å; L67-K70 PolarHBondContact O-N 2.94Å; L67-M71 VanDerWaalsContact O-CG 3.24Å; L67-M71 WeakPolarHBondContact O-CG 3.48Å; L67-M71 PolarHBondContact O-N 3.34Å
68	L	95.8	Very high	89.9	Confident	0 Å²	0	34.9 Å²	34.9	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-57.7	-47.8	176.7	175.9	61.6	0	0	0	111.9	A46 V47 I64 A65 K70 M71 L72 V163 L197	A46-L68 HydrophobicContact CB-CD1 3.95Å; A46-L68 HydrophobicContact CB-CD2 3.91Å; A46-L68 HydrophobicContact CB-CG 4.42Å; V47-L68 HydrophobicContact CB-CD1 4.45Å; V47-L68 HydrophobicContact CG2-CD1 3.64Å; I64-L68 PolarHBondContact O-N 3.31Å; A65-L68 PolarHBondContact O-N 3.41Å; L68-K70 VanDerWaalsContact C-N 3.3Å; L68-K70 PolarHBondContact O-N 3.41Å; L68-M71 PolarHBondContact O-N 3.34Å; L68-L72 HydrophobicContact CD1-CD1 3.65Å; L68-L72 HydrophobicContact CD1-CG 4.28Å; L68-L72 HydrophobicContact CG-CD1 4.25Å; L68-L72 PolarHBondContact O-N 3.21Å; L68-V163 HydrophobicContact CD2-CG1 3.79Å; L68-V163 HydrophobicContact CG-CG1 4.34Å; L68-V163 HydrophobicContact CG-CG2 4.44Å; L68-L197 HydrophobicContact CD2-CB 3.98Å; L68-L197 HydrophobicContact CD2-CD2 3.79Å; L68-L197 HydrophobicContact CD2-CG 4.36Å
69	I	94.4	Very high	90.5	Very high	1 Å²	1	35.7 Å²	35.7	1%	0.005	17%	0.173	C	C	.	.	H	α-helix	trans	-60.5	-42.4	178.7	-68.5	167.1	0	0	0	110.3	A65 V66 L67 L72 S73 I76 L110 V139	A65-I69 WeakPolarHBondContact O-CB 3.47Å; A65-I69 WeakPolarHBondContact O-CG1 3.37Å; A65-I69 PolarHBondContact O-N 3.32Å; V66-I69 PolarHBondContact O-N 2.88Å; L67-I69 PolarHBondContact O-N 3.29Å; I69-L72 CarbonylContact O-C 3.58Å; I69-L72 PolarHBondContact O-N 3.29Å; I69-S73 WeakPolarHBondContact O-CA 3.49Å; I69-S73 PolarHBondContact O-N 3.38Å; I69-I76 HydrophobicContact CG2-CD1 3.9Å; I69-L110 HydrophobicContact CG2-CD1 3.51Å; I69-V139 HydrophobicContact CD1-CG1 4.07Å; I69-V139 HydrophobicContact CG2-CG2 3.7Å
70	K	92.8	Very high	90.8	Very high	59 Å²	59	37 Å²	37	26%	0.257	18%	0.18	S	C	.	.	H	α-helix	trans	-63.7	-44.4	176	-74.3	179.9	69.6	171.9	0	112	V66 L67 L68 L72 S73	V66-K70 HydrophobicContact CG1-CD 4.08Å; V66-K70 HydrophobicContact CG1-CG 4.43Å; V66-K70 WeakPolarHBondContact O-CB 3.4Å; V66-K70 WeakPolarHBondContact O-CG 3.48Å; V66-K70 PolarHBondContact O-N 3.37Å; L67-K70 PolarHBondContact O-N 2.94Å; L68-K70 VanDerWaalsContact C-N 3.3Å; L68-K70 PolarHBondContact O-N 3.41Å; K70-L72 PolarHBondContact O-N 2.91Å; K70-S73 WeakPolarHBondContact O-CB 3.26Å; K70-S73 PolarHBondContact O-N 2.93Å; K70-S73 VanDerWaalsContact O-N 3.12Å; K70-S73 PolarHBondContact O-OG 2.83Å
71	M	94.4	Very high	90.8	Very high	55 Å²	55	44 Å²	44	27%	0.271	21%	0.205	S	C	.	.	H	α-helix	trans	-62.2	-31.7	178.3	-69.3	175.6	84.1	0	0	112.2	Y10 A43 E44 V47 L67 L68	Y10-M71 HydrophobicContact CD1-CE 3.99Å; Y10-M71 HydrophobicContact CD1-CG 4.47Å; Y10-M71 HydrophobicContact CE1-CE 3.59Å; Y10-M71 HydrophobicContact CE1-CG 4.41Å; A43-M71 HydrophobicContact CB-SD 4.11Å; E44-M71 HydrophobicContact CB-CE 4.4Å; E44-M71 HydrophobicContact CG-CE 3.68Å; E44-M71 HydrophobicContact CG-SD 4.49Å; V47-M71 HydrophobicContact CG2-CB 3.94Å; V47-M71 HydrophobicContact CG2-CE 3.93Å; V47-M71 HydrophobicContact CG2-SD 4.01Å; L67-M71 VanDerWaalsContact O-CG 3.24Å; L67-M71 WeakPolarHBondContact O-CG 3.48Å; L67-M71 PolarHBondContact O-N 3.34Å; L68-M71 PolarHBondContact O-N 3.34Å
72	L	93.6	Very high	90.7	Very high	21 Å²	21	51.3 Å²	51.3	11%	0.11	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.6	7.1	177.5	-65.5	174.2	0	0	0	113.8	V47 L68 I69 K70 R74 Q75 N162 V163 R195	V47-L72 HydrophobicContact CG1-CD2 4.18Å; V47-L72 HydrophobicContact CG2-CG 4.42Å; L68-L72 HydrophobicContact CD1-CD1 3.65Å; L68-L72 HydrophobicContact CD1-CG 4.28Å; L68-L72 HydrophobicContact CG-CD1 4.25Å; L68-L72 PolarHBondContact O-N 3.21Å; I69-L72 CarbonylContact O-C 3.58Å; I69-L72 PolarHBondContact O-N 3.29Å; K70-L72 PolarHBondContact O-N 2.91Å; L72-R74 PolarHBondContact O-N 3.06Å; L72-R74 VanDerWaalsContact O-N 3.15Å; L72-Q75 PolarHBondContact O-N 2.75Å; L72-Q75 VanDerWaalsContact O-N 3.13Å; L72-N162 PolarHBondContact O-ND2 2.83Å; L72-V163 HydrophobicContact CB-CG2 4.26Å; L72-V163 HydrophobicContact CD1-CG2 3.32Å; L72-V163 HydrophobicContact CG-CG2 4.41Å; L72-R195 HydrophobicContact CD1-CG 4.26Å
73	S	91.2	Very high	90.5	Very high	23 Å²	23	53.3 Å²	53.3	16%	0.161	26%	0.262	C	S	.	.	H	α-helix	trans	-61.1	-29	-172.6	61.9	0	0	0	0	113.4	I69 K70 Q75 I76 R77	I69-S73 WeakPolarHBondContact O-CA 3.49Å; I69-S73 PolarHBondContact O-N 3.38Å; K70-S73 WeakPolarHBondContact O-CB 3.26Å; K70-S73 PolarHBondContact O-N 2.93Å; K70-S73 VanDerWaalsContact O-N 3.12Å; K70-S73 PolarHBondContact O-OG 2.83Å; S73-Q75 PolarHBondContact O-N 3.43Å; S73-I76 WeakPolarHBondContact O-CA 3.44Å; S73-I76 WeakPolarHBondContact O-CB 3.37Å; S73-I76 PolarHBondContact O-N 3.25Å; S73-R77 VanDerWaalsContact O-CG 3.29Å; S73-R77 WeakPolarHBondContact O-CG 3.44Å; S73-R77 PolarHBondContact O-N 2.85Å
74	R	90.5	Very high	90.4	Very high	187 Å²	187	53 Å²	53	71%	0.706	26%	0.262	S	S	*	.	H	α-helix	trans	-52.4	-34	176.8	-166	-176.1	73.7	85.1	-2.1	112.6	L72	L72-R74 PolarHBondContact O-N 3.06Å; L72-R74 VanDerWaalsContact O-N 3.15Å
75	Q	90.9	Very high	90.3	Very high	71 Å²	71	55.1 Å²	55.1	33%	0.332	27%	0.271	S	S	.	.	H	α-helix	trans	-76	-27	177.4	-58.5	-179.2	11.4	0	0	112.7	L72 S73 K85 N162	L72-Q75 PolarHBondContact O-N 2.75Å; L72-Q75 VanDerWaalsContact O-N 3.13Å; S73-Q75 PolarHBondContact O-N 3.43Å; Q75-K85 PolarHBondContact O-N 3.27Å; Q75-N162 HydrophobicContact CB-CB 4.35Å
76	I	88.6	Confident	90.3	Very high	0 Å²	0	55.3 Å²	55.3	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-79.4	-33.3	179.5	-47.5	173	0	0	0	111.1	I69 S73 I78 K85 R86 S87 E137 N162	I69-I76 HydrophobicContact CG2-CD1 3.9Å; S73-I76 WeakPolarHBondContact O-CA 3.44Å; S73-I76 WeakPolarHBondContact O-CB 3.37Å; S73-I76 PolarHBondContact O-N 3.25Å; I76-I78 PolarHBondContact O-N 3.46Å; I76-K85 WeakPolarHBondContact CA-O 3.43Å; I76-R86 PolarHBondContact O-NH1 2.77Å; I76-S87 WeakPolarHBondContact CD1-OG 3.1Å; I76-E137 HydrophobicContact CG2-CB 4.17Å; I76-N162 VanDerWaalsContact CG1-ND2 3.35Å; I76-N162 WeakPolarHBondContact CG1-ND2 3.47Å
77	R	88	Confident	90.3	Very high	110 Å²	110	55.2 Å²	55.2	42%	0.415	27%	0.271	S	S	.	.	S	Bend	trans	-66.4	-16.8	179.3	-59	-149.5	-180	-130.5	3.5	114.3	S73 D109 E137	S73-R77 VanDerWaalsContact O-CG 3.29Å; S73-R77 WeakPolarHBondContact O-CG 3.44Å; S73-R77 PolarHBondContact O-N 2.85Å; R77-D109 IonicContact CZ-OD2 3.56Å; R77-D109 IonicContact NH1-OD2 3.64Å; R77-D109 IonicContact NH2-OD1 3.61Å; R77-D109 IonicContact NH2-OD2 2.65Å; R77-D109 PolarHBondContact NH2-OD2 3.12Å; R77-E137 VanDerWaalsContact CA-OE1 3.3Å; R77-E137 WeakPolarHBondContact CA-OE1 3.31Å; R77-E137 HydrophobicContact CB-CG 4.43Å; R77-E137 WeakPolarHBondContact CB-OE1 3.46Å; R77-E137 VanDerWaalsContact CD-OE1 3.32Å; R77-E137 WeakPolarHBondContact CD-OE1 3.49Å; R77-E137 VanDerWaalsContact CG-CD 3.42Å; R77-E137 HydrophobicContact CG-CG 4.4Å; R77-E137 WeakPolarHBondContact CG-OE1 3.28Å; R77-E137 WeakPolarHBondContact CG-OE2 3.49Å; R77-E137 IonicContact CZ-OE2 2.76Å; R77-E137 IonicContact NE-OE2 2.67Å; R77-E137 IonicContact NH1-OE1 2.99Å; R77-E137 IonicContact NH1-OE2 3.86Å; R77-E137 PolarHBondContact NH1-OE2 2.83Å
78	I	88.2	Confident	90.3	Very high	58 Å²	58	54 Å²	54	30%	0.297	27%	0.265	S	S	.	.	S	Bend	trans	-81.9	135.9	178.2	-57.9	166.9	0	0	0	108.6	I76 K82 G84 R86	I76-I78 PolarHBondContact O-N 3.46Å; I78-K82 HydrophobicContact CG2-CB 3.92Å; I78-G84 WeakPolarHBondContact O-CA 3.36Å; I78-R86 PolarHBondContact O-NH1 2.85Å; I78-R86 VanDerWaalsContact O-NH1 3.14Å
79	P	85.5	Confident	90.3	Very high	62 Å²	62	54 Å²	54	40%	0.403	27%	0.265	S	S	.	.			trans	-58.7	142.5	171	-24.9	34.6	0	0	0	111.7	Q81 K82 G84	P79-Q81 VanDerWaalsContact C-N 3.25Å; P79-Q81 PolarHBondContact O-N 2.91Å; P79-K82 HydrophobicContact CG-CD 4.45Å; P79-K82 WeakPolarHBondContact O-CA 3.38Å; P79-K82 PolarHBondContact O-N 3.26Å; P79-G84 WeakPolarHBondContact O-CA 3.44Å; P79-G84 PolarHBondContact O-N 3.14Å
80	L	84.6	Confident	90.4	Very high	29 Å²	29	54 Å²	54	15%	0.152	27%	0.265	C	S	.	.	G	3₁₀ helix	trans	-56.5	-40.3	-178.5	-115.7	136.9	0	0	0	112.6	K82 G83 R86 M133 Q160	L80-K82 PolarHBondContact O-N 2.82Å; L80-K82 VanDerWaalsContact O-N 3.12Å; L80-G83 PolarHBondContact O-N 2.81Å; L80-R86 HydrophobicContact CD1-CG 3.93Å; L80-M133 HydrophobicContact CD1-CB 3.77Å; L80-M133 HydrophobicContact CD1-CE 4.07Å; L80-M133 WeakPolarHBondContact CD1-O 3.49Å; L80-Q160 HydrophobicContact CD2-CB 4.46Å; L80-Q160 HydrophobicContact CD2-CG 4.35Å
81	Q	82.7	Confident	90.4	Very high	171 Å²	171	51.2 Å²	51.2	80%	0.799	25%	0.252	S	S	*	.	G	3₁₀ helix	trans	-59.5	-22.6	176.4	-63.7	155.5	1.6	0	0	113.4	P79	P79-Q81 VanDerWaalsContact C-N 3.25Å; P79-Q81 PolarHBondContact O-N 2.91Å
82	K	85.7	Confident	89.9	Confident	171 Å²	171	50.4 Å²	50.4	74%	0.743	25%	0.249	S	C	*	.	G	3₁₀ helix	trans	-101.1	19.7	177.5	-63	-172.7	178.2	-177.3	0	112.4	I78 P79 L80 G84	I78-K82 HydrophobicContact CG2-CB 3.92Å; P79-K82 HydrophobicContact CG-CD 4.45Å; P79-K82 WeakPolarHBondContact O-CA 3.38Å; P79-K82 PolarHBondContact O-N 3.26Å; L80-K82 PolarHBondContact O-N 2.82Å; L80-K82 VanDerWaalsContact O-N 3.12Å; K82-G84 VanDerWaalsContact C-N 3.34Å
83	G	85.8	Confident	89.3	Confident	63 Å²	63	52.1 Å²	52.1	65%	0.649	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	79.3	15.1	-176.9	0	0	0	0	0	114.2	L80	L80-G83 PolarHBondContact O-N 2.81Å
84	G	89	Confident	88.8	Confident	5 Å²	5	54.2 Å²	54.2	5%	0.052	27%	0.273	C	S	.	.			trans	-67.4	156.3	171.3	0	0	0	0	0	112.5	I78 P79 K82	I78-G84 WeakPolarHBondContact O-CA 3.36Å; P79-G84 WeakPolarHBondContact O-CA 3.44Å; P79-G84 PolarHBondContact O-N 3.14Å; K82-G84 VanDerWaalsContact C-N 3.34Å
85	K	92.3	Very high	88.3	Confident	45 Å²	45	47.3 Å²	47.3	20%	0.196	25%	0.251	C	S	.	.			trans	-117.4	174.7	-177.2	-67.7	-169.5	166.3	-149.9	0	111.4	Q75 I76 E159 Q160 F161 N162 R192	Q75-K85 PolarHBondContact O-N 3.27Å; I76-K85 WeakPolarHBondContact CA-O 3.43Å; K85-E159 VanDerWaalsContact CE-O 3.22Å; K85-E159 WeakPolarHBondContact CE-O 3.35Å; K85-E159 PolarHBondContact NZ-O 3.43Å; K85-E159 VanDerWaalsContact NZ-O 3.13Å; K85-Q160 CarbonylContact C-O 3.55Å; K85-Q160 VanDerWaalsContact CA-O 3.28Å; K85-Q160 WeakPolarHBondContact CA-O 3.43Å; K85-Q160 WeakPolarHBondContact CB-O 3.4Å; K85-F161 PolarHBondContact NZ-O 3.49Å; K85-N162 HydrophobicContact CB-CB 3.84Å; K85-N162 HydrophobicContact CD-CB 3.87Å; K85-N162 HydrophobicContact CG-CB 4.5Å; K85-R192 PolarHBondContact NZ-O 2.88Å
86	R	93.3	Very high	88	Confident	4 Å²	4	44.6 Å²	44.6	2%	0.015	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	154.9	171.8	-60.8	-64.2	176.2	-104	6.6	110.9	I76 I78 L80 M133 F136 Q160 F161 N162	I76-R86 PolarHBondContact O-NH1 2.77Å; I78-R86 PolarHBondContact O-NH1 2.85Å; I78-R86 VanDerWaalsContact O-NH1 3.14Å; L80-R86 HydrophobicContact CD1-CG 3.93Å; R86-M133 HydrophobicContact CB-CE 4.26Å; R86-M133 HydrophobicContact CB-SD 4.28Å; R86-M133 HydrophobicContact CG-CE 3.93Å; R86-M133 HydrophobicContact CG-SD 3.91Å; R86-M133 PolarHBondContact NE-O 2.96Å; R86-M133 PolarHBondContact NH2-O 3.39Å; R86-F136 PolarHBondContact NE-O 2.95Å; R86-F136 PolarHBondContact NH2-O 3.08Å; R86-Q160 PolarHBondContact N-O 3.32Å; R86-F161 HydrophobicContact CB-CD1 4.16Å; R86-F161 HydrophobicContact CB-CE1 4.35Å; R86-F161 CarbonylContact O-C 3.54Å; R86-F161 WeakPolarHBondContact O-CA 3.41Å; R86-N162 VanDerWaalsContact C-OD1 3.28Å; R86-N162 PolarHBondContact O-N 3.13Å; R86-N162 PolarHBondContact O-OD1 2.9Å
87	S	94.7	Very high	88	Confident	0 Å²	0	44.6 Å²	44.6	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	142	167.8	-67.8	0	0	0	0	109.4	I76 V139 I140 N162	I76-S87 WeakPolarHBondContact CD1-OG 3.1Å; S87-V139 WeakPolarHBondContact O-CA 3.13Å; S87-I140 PolarHBondContact O-N 3.07Å; S87-N162 WeakPolarHBondContact CA-OD1 3.46Å; S87-N162 PolarHBondContact N-OD1 3.25Å; S87-N162 PolarHBondContact OG-OD1 3.36Å
88	I	95.2	Very high	87.9	Confident	0 Å²	0	45.6 Å²	45.6	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	134.4	178.9	-165.6	151.8	0	0	0	110.2	V90 I140 V142 F147 F161 V163 V164 V165	I88-V90 HydrophobicContact CG1-CG2 4.27Å; I88-V90 HydrophobicContact CG2-CG2 4.46Å; I88-I140 CarbonylContact C-O 3.54Å; I88-I140 WeakPolarHBondContact CA-O 3.36Å; I88-I140 HydrophobicContact CD1-CB 4.23Å; I88-I140 HydrophobicContact CD1-CG2 4.18Å; I88-I140 HydrophobicContact CG1-CB 4.07Å; I88-I140 HydrophobicContact CG1-CG2 4.3Å; I88-V142 HydrophobicContact CD1-CG1 3.84Å; I88-V142 HydrophobicContact CG1-CG1 3.66Å; I88-F147 HydrophobicContact CD1-CD2 3.48Å; I88-F147 VanDerWaalsContact CD1-CD2 3.48Å; I88-F147 HydrophobicContact CD1-CE2 3.66Å; I88-F147 HydrophobicContact CD1-CG 4.2Å; I88-F147 HydrophobicContact CD1-CZ 4.46Å; I88-F147 HydrophobicContact CG1-CD2 4.47Å; I88-F147 HydrophobicContact CG2-CE2 4.38Å; I88-F147 HydrophobicContact CG2-CZ 4.2Å; I88-F161 HydrophobicContact CB-CD1 3.78Å; I88-F161 HydrophobicContact CB-CE1 3.84Å; I88-F161 HydrophobicContact CD1-CD1 4.34Å; I88-F161 HydrophobicContact CD1-CE1 3.59Å; I88-F161 HydrophobicContact CD1-CZ 3.76Å; I88-F161 HydrophobicContact CG1-CE1 4.35Å; I88-F161 HydrophobicContact CG2-CD1 3.77Å; I88-F161 HydrophobicContact CG2-CE1 4.15Å; I88-F161 HydrophobicContact CG2-CG 4.08Å; I88-V163 PolarHBondContact N-O 3.22Å; I88-V164 HydrophobicContact CG2-CB 4.01Å; I88-V164 HydrophobicContact CG2-CG1 3.98Å; I88-V164 HydrophobicContact CG2-CG2 3.67Å; I88-V165 PolarHBondContact O-N 3.5Å
89	F	95.5	Very high	87.8	Confident	0 Å²	0	45.4 Å²	45.4	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	107.4	-179.8	-161.5	-66.8	0	0	0	108	T62 A65 V91 Q100 I104 V139 I140 V141 V142 V165 D167 L199	T62-F89 HydrophobicContact CG2-CE2 4.35Å; T62-F89 HydrophobicContact CG2-CZ 4.3Å; A65-F89 HydrophobicContact CB-CD2 4.3Å; A65-F89 HydrophobicContact CB-CE2 3.61Å; F89-V91 HydrophobicContact CD1-CG1 3.76Å; F89-V91 HydrophobicContact CE1-CG1 3.76Å; F89-Q100 HydrophobicContact CD1-CB 4.37Å; F89-Q100 HydrophobicContact CD1-CG 4.46Å; F89-Q100 HydrophobicContact CE1-CB 4.1Å; F89-Q100 HydrophobicContact CE1-CG 3.81Å; F89-Q100 HydrophobicContact CZ-CG 4.29Å; F89-I104 HydrophobicContact CB-CD1 4.49Å; F89-I104 HydrophobicContact CD2-CD1 4.05Å; F89-I104 HydrophobicContact CG-CD1 4.34Å; F89-V139 HydrophobicContact CB-CG1 4.46Å; F89-I140 PolarHBondContact N-O 2.76Å; F89-V141 HydrophobicContact CB-CG2 4.27Å; F89-V141 HydrophobicContact CD1-CG1 4.45Å; F89-V141 VanDerWaalsContact O-CA 3.31Å; F89-V141 WeakPolarHBondContact O-CA 3.27Å; F89-V142 PolarHBondContact O-N 3.29Å; F89-V165 HydrophobicContact CD2-CB 3.83Å; F89-V165 HydrophobicContact CD2-CG1 3.88Å; F89-V165 HydrophobicContact CD2-CG2 4.14Å; F89-V165 HydrophobicContact CE2-CB 4.17Å; F89-V165 HydrophobicContact CE2-CG1 3.67Å; F89-V165 HydrophobicContact CG-CB 4.17Å; F89-V165 HydrophobicContact CG-CG1 4.41Å; F89-V165 HydrophobicContact CZ-CG1 4.02Å; F89-D167 HydrophobicContact CE1-CB 3.75Å; F89-D167 HydrophobicContact CZ-CB 4.34Å; F89-L199 HydrophobicContact CZ-CD1 4.49Å
90	V	95.7	Very high	88.1	Confident	0 Å²	0	43.4 Å²	43.4	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	126.7	-170.9	-163.4	0	0	0	0	109.3	I88 V142 A144 F147 V164 V165 F166 D167 Y178	I88-V90 HydrophobicContact CG1-CG2 4.27Å; I88-V90 HydrophobicContact CG2-CG2 4.46Å; V90-V142 WeakPolarHBondContact CA-O 3.39Å; V90-V142 HydrophobicContact CB-CG1 4.49Å; V90-V142 HydrophobicContact CG1-CG1 4.34Å; V90-V142 HydrophobicContact CG2-CG1 4.19Å; V90-A144 HydrophobicContact CG1-CB 4.1Å; V90-F147 HydrophobicContact CG1-CB 4.28Å; V90-F147 HydrophobicContact CG1-CD1 4.21Å; V90-F147 HydrophobicContact CG2-CD1 3.63Å; V90-F147 HydrophobicContact CG2-CE1 4.02Å; V90-F147 HydrophobicContact CG2-CG 4.21Å; V90-V164 HydrophobicContact CG2-CG1 4.13Å; V90-V165 PolarHBondContact N-O 2.72Å; V90-F166 HydrophobicContact CB-CD1 3.91Å; V90-F166 HydrophobicContact CB-CE1 4.22Å; V90-F166 HydrophobicContact CG1-CD1 4.32Å; V90-F166 HydrophobicContact CG1-CE1 4.4Å; V90-F166 HydrophobicContact CG2-CD1 4.18Å; V90-F166 HydrophobicContact CG2-CE1 4.09Å; V90-D167 PolarHBondContact O-N 2.89Å; V90-Y178 HydrophobicContact CB-CE1 4.25Å; V90-Y178 HydrophobicContact CG1-CD1 4.21Å; V90-Y178 HydrophobicContact CG1-CE1 3.59Å; V90-Y178 PolarHBondContact O-OH 2.79Å
91	V	92.1	Very high	88.4	Confident	0 Å²	0	42 Å²	42	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	161.8	-179	-60.2	0	0	0	0	111.4	F89 T93 L96 V97 Q100 V141 V142 V143 A144 D167	F89-V91 HydrophobicContact CD1-CG1 3.76Å; F89-V91 HydrophobicContact CE1-CG1 3.76Å; V91-T93 WeakPolarHBondContact CG2-O 3.39Å; V91-L96 HydrophobicContact CB-CB 3.8Å; V91-L96 HydrophobicContact CB-CD1 4.32Å; V91-L96 HydrophobicContact CG1-CB 4.05Å; V91-L96 HydrophobicContact CG2-CB 3.99Å; V91-V97 HydrophobicContact CG2-CB 4.31Å; V91-V97 HydrophobicContact CG2-CG2 3.37Å; V91-Q100 HydrophobicContact CG1-CG 4.05Å; V91-V141 HydrophobicContact CG1-CG1 4.41Å; V91-V142 PolarHBondContact N-O 3.44Å; V91-V143 CarbonylContact O-C 3.58Å; V91-V143 VanDerWaalsContact O-CA 3.29Å; V91-V143 WeakPolarHBondContact O-CA 3.41Å; V91-A144 PolarHBondContact O-N 2.98Å; V91-D167 HydrophobicContact CG1-CB 4Å
92	N	85.5	Confident	88.8	Confident	39 Å²	39	36.5 Å²	36.5	21%	0.209	21%	0.206	C	C	.	.	S	Bend	trans	-88	-20.7	-178.1	-69.6	-39.7	0	0	0	114.8	H171 H176 Y178	N92-H171 PolarHBondContact ND2-CD2 2.85Å; N92-H176 PolarHBondContact OD1-CE1 2.9Å; N92-H176 PolarHBondContact OD1-NE2 2.89Å; N92-Y178 PolarHBondContact OD1-OH 2.73Å; N92-Y178 VanDerWaalsContact OD1-OH 3.11Å
93	T	80.7	Confident	89	Confident	57 Å²	57	31.6 Å²	31.6	35%	0.35	18%	0.183	S	C	.	.	S	Bend	trans	-131.5	154	-173.6	71.7	0	0	0	0	112.3	V91 V95 L96 V97	V91-T93 WeakPolarHBondContact CG2-O 3.39Å; T93-V95 VanDerWaalsContact C-N 3.28Å; T93-V95 PolarHBondContact O-N 3.01Å; T93-L96 PolarHBondContact O-N 2.92Å; T93-L96 VanDerWaalsContact OG1-CG 3.31Å; T93-L96 WeakPolarHBondContact OG1-CG 3.29Å; T93-L96 PolarHBondContact OG1-N 3.43Å; T93-V97 PolarHBondContact O-N 3Å
94	V	80.2	Confident	89.3	Confident	67 Å²	67	28.6 Å²	28.6	41%	0.406	15%	0.152	S	C	.	.	H	α-helix	trans	-63.6	-34.6	177.5	174.7	0	0	0	0	111.9	L96 V97 C116 V143	V94-L96 VanDerWaalsContact C-N 3.33Å; V94-L96 PolarHBondContact O-N 3.16Å; V94-V97 WeakPolarHBondContact O-CB 3.22Å; V94-V97 PolarHBondContact O-N 2.96Å; V94-C116 HydrophobicContact CG1-CB 3.9Å; V94-C116 HydrophobicContact CG2-CB 4.48Å; V94-V143 HydrophobicContact CG2-CG2 4.11Å
95	V	80	Confident	89.4	Confident	42 Å²	42	33.5 Å²	33.5	26%	0.255	17%	0.169	S	C	.	.	H	α-helix	trans	-62.9	-42.2	177.5	178.9	0	0	0	0	110.8	T93 V97 K98 Q99 F485	T93-V95 VanDerWaalsContact C-N 3.28Å; T93-V95 PolarHBondContact O-N 3.01Å; V95-V97 VanDerWaalsContact C-N 3.3Å; V95-V97 PolarHBondContact O-N 3.4Å; V95-K98 PolarHBondContact O-N 3.48Å; V95-Q99 WeakPolarHBondContact O-CG 3.35Å; V95-Q99 PolarHBondContact O-N 2.93Å; V95-Q99 VanDerWaalsContact O-N 3.17Å; V95-F485 HydrophobicContact CB-CE1 4.33Å; V95-F485 HydrophobicContact CG1-CD1 4.06Å; V95-F485 HydrophobicContact CG1-CE1 3.95Å; V95-F485 HydrophobicContact CG2-CE1 3.92Å; V95-F485 HydrophobicContact CG2-CZ 4.23Å
96	L	84.9	Confident	89.3	Confident	13 Å²	13	37.6 Å²	37.6	7%	0.068	19%	0.187	C	C	.	.	H	α-helix	trans	-65.2	-32.1	176.5	-73.7	173.9	0	0	0	112.4	V91 T93 V94 K98 Q99 Q100 G484	V91-L96 HydrophobicContact CB-CB 3.8Å; V91-L96 HydrophobicContact CB-CD1 4.32Å; V91-L96 HydrophobicContact CG1-CB 4.05Å; V91-L96 HydrophobicContact CG2-CB 3.99Å; T93-L96 PolarHBondContact O-N 2.92Å; T93-L96 VanDerWaalsContact OG1-CG 3.31Å; T93-L96 WeakPolarHBondContact OG1-CG 3.29Å; T93-L96 PolarHBondContact OG1-N 3.43Å; V94-L96 VanDerWaalsContact C-N 3.33Å; V94-L96 PolarHBondContact O-N 3.16Å; L96-K98 VanDerWaalsContact C-N 3.34Å; L96-K98 PolarHBondContact O-N 3.24Å; L96-Q99 PolarHBondContact O-N 3.24Å; L96-Q100 WeakPolarHBondContact O-CB 3.01Å; L96-Q100 VanDerWaalsContact O-CG 3.23Å; L96-Q100 WeakPolarHBondContact O-CG 3.17Å; L96-Q100 PolarHBondContact O-N 2.97Å; L96-G484 WeakPolarHBondContact CD2-O 3.28Å
97	V	87.9	Confident	89.2	Confident	0 Å²	0	39.1 Å²	39.1	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-57	-51.8	177.2	174.6	0	0	0	0	110.2	V91 T93 V94 V95 A101 E114 C116 V141 V143	V91-V97 HydrophobicContact CG2-CB 4.31Å; V91-V97 HydrophobicContact CG2-CG2 3.37Å; T93-V97 PolarHBondContact O-N 3Å; V94-V97 WeakPolarHBondContact O-CB 3.22Å; V94-V97 PolarHBondContact O-N 2.96Å; V95-V97 VanDerWaalsContact C-N 3.3Å; V95-V97 PolarHBondContact O-N 3.4Å; V97-A101 WeakPolarHBondContact O-CB 3.38Å; V97-A101 PolarHBondContact O-N 2.85Å; V97-E114 HydrophobicContact CG1-CB 3.82Å; V97-E114 HydrophobicContact CG1-CG 3.99Å; V97-C116 VanDerWaalsContact CG1-SG 3.51Å; V97-V141 HydrophobicContact CB-CG1 4.25Å; V97-V141 HydrophobicContact CG1-CB 4.14Å; V97-V141 HydrophobicContact CG1-CG1 4Å; V97-V141 WeakPolarHBondContact CG1-O 3.42Å; V97-V141 HydrophobicContact CG2-CG1 4.46Å; V97-V143 HydrophobicContact CG2-CG2 3.69Å
98	K	86.6	Confident	88.9	Confident	131 Å²	131	39.9 Å²	39.9	57%	0.57	20%	0.199	S	C	*	.	H	α-helix	trans	-63.9	-44.3	-179.4	-64.2	-175.3	176.9	-178.1	0	111.9	V95 L96 A102	V95-K98 PolarHBondContact O-N 3.48Å; L96-K98 VanDerWaalsContact C-N 3.34Å; L96-K98 PolarHBondContact O-N 3.24Å; K98-A102 WeakPolarHBondContact O-CB 3.46Å; K98-A102 PolarHBondContact O-N 2.88Å
99	Q	86.3	Confident	88.5	Confident	55 Å²	55	45 Å²	45	26%	0.257	23%	0.227	S	C	.	.	H	α-helix	trans	-63.7	-50.7	-178.9	-74.6	176.9	-0.8	0	0	112	V95 L96 A101 A102 Y103	V95-Q99 WeakPolarHBondContact O-CG 3.35Å; V95-Q99 PolarHBondContact O-N 2.93Å; V95-Q99 VanDerWaalsContact O-N 3.17Å; L96-Q99 PolarHBondContact O-N 3.24Å; Q99-A101 VanDerWaalsContact C-N 3.35Å; Q99-A102 PolarHBondContact O-N 3.47Å; Q99-Y103 WeakPolarHBondContact O-CB 3.49Å; Q99-Y103 PolarHBondContact O-N 3.15Å
100	Q	91.1	Very high	88.1	Confident	20 Å²	20	45.3 Å²	45.3	9%	0.093	23%	0.228	C	C	.	.	H	α-helix	trans	-68.9	-36.9	-178.7	-57	-62.7	9	0	0	110.8	T62 F89 V91 L96 Y103 I104 V141 D167	T62-Q100 PolarHBondContact OG1-OE1 2.92Å; F89-Q100 HydrophobicContact CD1-CB 4.37Å; F89-Q100 HydrophobicContact CD1-CG 4.46Å; F89-Q100 HydrophobicContact CE1-CB 4.1Å; F89-Q100 HydrophobicContact CE1-CG 3.81Å; F89-Q100 HydrophobicContact CZ-CG 4.29Å; V91-Q100 HydrophobicContact CG1-CG 4.05Å; L96-Q100 WeakPolarHBondContact O-CB 3.01Å; L96-Q100 VanDerWaalsContact O-CG 3.23Å; L96-Q100 WeakPolarHBondContact O-CG 3.17Å; L96-Q100 PolarHBondContact O-N 2.97Å; Q100-Y103 PolarHBondContact O-N 2.98Å; Q100-I104 WeakPolarHBondContact O-CD1 3.12Å; Q100-I104 WeakPolarHBondContact O-CG1 3.2Å; Q100-I104 PolarHBondContact O-N 3.12Å; Q100-V141 HydrophobicContact CB-CG1 4.18Å; Q100-D167 PolarHBondContact NE2-OD2 3Å
101	A	91.2	Very high	87.8	Confident	0 Å²	0	50.3 Å²	50.3	0%	0	25%	0.25	C	C	.	.	H	α-helix	trans	-61.6	-46.7	175.4	0	0	0	0	0	112.3	V97 Q99 Y103 I104 R105 V112 E114 V141	V97-A101 WeakPolarHBondContact O-CB 3.38Å; V97-A101 PolarHBondContact O-N 2.85Å; Q99-A101 VanDerWaalsContact C-N 3.35Å; A101-Y103 VanDerWaalsContact C-N 3.31Å; A101-Y103 PolarHBondContact O-N 2.91Å; A101-I104 PolarHBondContact O-N 2.75Å; A101-R105 WeakPolarHBondContact O-CG 3.21Å; A101-R105 PolarHBondContact O-N 3.36Å; A101-V112 HydrophobicContact CB-CG1 3.78Å; A101-E114 HydrophobicContact CB-CG 3.45Å; A101-E114 VanDerWaalsContact CB-CG 3.45Å; A101-V141 HydrophobicContact CB-CB 4.31Å; A101-V141 HydrophobicContact CB-CG2 3.92Å
102	A	90.5	Very high	87.7	Confident	55 Å²	55	51 Å²	51	46%	0.455	25%	0.254	S	S	.	.	H	α-helix	trans	-60.4	-41.5	174.3	0	0	0	0	0	111.8	K98 Q99 R105 K106	K98-A102 WeakPolarHBondContact O-CB 3.46Å; K98-A102 PolarHBondContact O-N 2.88Å; Q99-A102 PolarHBondContact O-N 3.47Å; A102-R105 PolarHBondContact O-N 3.17Å; A102-K106 PolarHBondContact O-N 3.26Å
103	Y	90.6	Very high	87.9	Confident	67 Å²	67	49.9 Å²	49.9	26%	0.263	25%	0.25	S	S	.	.	H	α-helix	trans	-62.6	-44.9	177.9	-167.7	-89.1	0	0	0	112.4	T62 L63 V66 Q99 Q100 A101 K106 H107	T62-Y103 HydrophobicContact CG2-CD1 3.37Å; T62-Y103 HydrophobicContact CG2-CE1 3.81Å; T62-Y103 HydrophobicContact CG2-CG 4.07Å; L63-Y103 HydrophobicContact CB-CE1 4.4Å; V66-Y103 HydrophobicContact CG2-CD1 4.09Å; V66-Y103 HydrophobicContact CG2-CE1 4.19Å; Q99-Y103 WeakPolarHBondContact O-CB 3.49Å; Q99-Y103 PolarHBondContact O-N 3.15Å; Q100-Y103 PolarHBondContact O-N 2.98Å; A101-Y103 VanDerWaalsContact C-N 3.31Å; A101-Y103 PolarHBondContact O-N 2.91Å; Y103-K106 PolarHBondContact O-N 3.18Å; Y103-H107 AromaticContact CD1-ND1 3.78Å; Y103-H107 AromaticContact CD2-CE1 3.78Å; Y103-H107 AromaticContact CE1-CE1 3.9Å; Y103-H107 AromaticContact CE1-ND1 3.67Å; Y103-H107 AromaticContact CE2-CE1 3.37Å; Y103-H107 WeakPolarHBondContact CE2-CE1 3.03Å; Y103-H107 AromaticContact CE2-ND1 3.9Å; Y103-H107 AromaticContact CG-ND1 3.97Å; Y103-H107 AromaticContact CZ-CE1 3.44Å; Y103-H107 VanDerWaalsContact CZ-CE1 3.44Å; Y103-H107 AromaticContact CZ-ND1 3.72Å; Y103-H107 AromaticContact CZ-NE2 3.93Å; Y103-H107 PolarHBondContact O-N 2.73Å; Y103-H107 PolarHBondContact O-ND1 3.48Å
104	I	91.5	Very high	88.3	Confident	1 Å²	1	50.4 Å²	50.4	1%	0.005	25%	0.249	C	C	.	.	H	α-helix	trans	-64.6	-43.7	178.2	-63.9	158.9	0	0	0	110.5	V66 F89 Q100 A101 K106 H107 S108 V112 V139 V141	V66-I104 HydrophobicContact CG2-CG1 3.95Å; F89-I104 HydrophobicContact CB-CD1 4.49Å; F89-I104 HydrophobicContact CD2-CD1 4.05Å; F89-I104 HydrophobicContact CG-CD1 4.34Å; Q100-I104 WeakPolarHBondContact O-CD1 3.12Å; Q100-I104 WeakPolarHBondContact O-CG1 3.2Å; Q100-I104 PolarHBondContact O-N 3.12Å; A101-I104 PolarHBondContact O-N 2.75Å; I104-K106 VanDerWaalsContact C-N 3.3Å; I104-K106 PolarHBondContact O-N 2.85Å; I104-H107 PolarHBondContact O-N 3.13Å; I104-S108 PolarHBondContact O-N 3.37Å; I104-S108 PolarHBondContact O-OG 3.05Å; I104-V112 HydrophobicContact CB-CG2 4.07Å; I104-V112 HydrophobicContact CG2-CG2 3.58Å; I104-V139 HydrophobicContact CD1-CG1 4.09Å; I104-V139 HydrophobicContact CG2-CG2 4.4Å; I104-V141 HydrophobicContact CD1-CG2 3.82Å
105	R	91.4	Very high	88.6	Confident	108 Å²	108	47.3 Å²	47.3	41%	0.408	23%	0.23	S	C	.	.	H	α-helix	trans	-61.1	-37.1	175.8	-70.7	-178.5	-165.9	116.4	3.4	112.7	A101 A102 H107 S108 V112 E114	A101-R105 WeakPolarHBondContact O-CG 3.21Å; A101-R105 PolarHBondContact O-N 3.36Å; A102-R105 PolarHBondContact O-N 3.17Å; R105-H107 VanDerWaalsContact C-N 3.33Å; R105-H107 PolarHBondContact O-N 2.95Å; R105-S108 VanDerWaalsContact O-O 3.08Å; R105-V112 HydrophobicContact CG-CB 3.8Å; R105-V112 HydrophobicContact CG-CG2 3.62Å; R105-V112 PolarHBondContact NH2-O 3.39Å; R105-E114 IonicContact CZ-OE1 2.76Å; R105-E114 IonicContact NH1-OE1 3.93Å; R105-E114 PolarHBondContact NH1-OE1 3.05Å; R105-E114 IonicContact NH2-OE1 3.72Å; R105-E114 PolarHBondContact NH2-OE1 3.12Å
106	K	91.2	Very high	88.5	Confident	130 Å²	130	46.5 Å²	46.5	57%	0.565	23%	0.226	S	C	*	.	H	α-helix	trans	-68.4	-29.8	177.6	-174.5	171.1	-179.1	171.9	0	112.8	D29 A102 Y103 I104	D29-K106 IonicContact OD2-NZ 3.73Å; D29-K106 PolarHBondContact OD2-NZ 3.4Å; A102-K106 PolarHBondContact O-N 3.26Å; Y103-K106 PolarHBondContact O-N 3.18Å; I104-K106 VanDerWaalsContact C-N 3.3Å; I104-K106 PolarHBondContact O-N 2.85Å
107	H	90.1	Very high	87.7	Confident	36 Å²	36	48.1 Å²	48.1	17%	0.167	25%	0.246	C	C	.	.	H	α-helix	trans	-112.3	4.4	-171.2	-61.8	87.1	0	0	0	114.6	V66 Y103 I104 R105	V66-H107 HydrophobicContact CG1-CB 3.94Å; Y103-H107 AromaticContact CD1-ND1 3.78Å; Y103-H107 AromaticContact CD2-CE1 3.78Å; Y103-H107 AromaticContact CE1-CE1 3.9Å; Y103-H107 AromaticContact CE1-ND1 3.67Å; Y103-H107 AromaticContact CE2-CE1 3.37Å; Y103-H107 WeakPolarHBondContact CE2-CE1 3.03Å; Y103-H107 AromaticContact CE2-ND1 3.9Å; Y103-H107 AromaticContact CG-ND1 3.97Å; Y103-H107 AromaticContact CZ-CE1 3.44Å; Y103-H107 VanDerWaalsContact CZ-CE1 3.44Å; Y103-H107 AromaticContact CZ-ND1 3.72Å; Y103-H107 AromaticContact CZ-NE2 3.93Å; Y103-H107 PolarHBondContact O-N 2.73Å; Y103-H107 PolarHBondContact O-ND1 3.48Å; I104-H107 PolarHBondContact O-N 3.13Å; R105-H107 VanDerWaalsContact C-N 3.33Å; R105-H107 PolarHBondContact O-N 2.95Å
108	S	88.1	Confident	86	Confident	16 Å²	16	51.5 Å²	51.5	11%	0.112	27%	0.269	C	S	.	.			trans	-148.4	155.6	177.5	70.5	0	0	0	0	111.3	I104 R105	I104-S108 PolarHBondContact O-N 3.37Å; I104-S108 PolarHBondContact O-OG 3.05Å; R105-S108 VanDerWaalsContact O-O 3.08Å
109	D	88.1	Confident	83.9	Confident	108 Å²	108	53 Å²	53	58%	0.578	29%	0.289	S	S	*	.	S	Bend	trans	-84.5	3.5	173.5	64.7	-39	0	0	0	113.1	R77	R77-D109 IonicContact CZ-OD2 3.56Å; R77-D109 IonicContact NH1-OD2 3.64Å; R77-D109 IonicContact NH2-OD1 3.61Å; R77-D109 IonicContact NH2-OD2 2.65Å; R77-D109 PolarHBondContact NH2-OD2 3.12Å
110	L	87.4	Confident	81.9	Confident	7 Å²	7	53.4 Å²	53.4	4%	0.037	31%	0.308	C	S	.	.	S	Bend	trans	-75.8	147.9	-177	-60.3	174.3	0	0	0	110.9	I69 V139	I69-L110 HydrophobicContact CG2-CD1 3.51Å; L110-V139 HydrophobicContact CB-CG2 4.29Å; L110-V139 HydrophobicContact CD1-CG2 3.97Å
111	K	88.4	Confident	80	Confident	104 Å²	104	55.3 Å²	55.3	45%	0.452	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	141.2	172.2	-71.4	179.5	-179.5	-178.7	0	109	F136 E137 V138 V139	K111-F136 HydrophobicContact CD-CB 3.53Å; K111-F136 HydrophobicContact CD-CD2 4.41Å; K111-F136 HydrophobicContact CD-CG 4Å; K111-E137 PolarHBondContact N-O 3.08Å; K111-V138 HydrophobicContact CB-CG2 4.04Å; K111-V138 CarbonylContact O-C 3.56Å; K111-V138 VanDerWaalsContact O-CA 3.27Å; K111-V138 WeakPolarHBondContact O-CA 3.32Å; K111-V139 PolarHBondContact O-N 3.31Å
112	V	90.7	Very high	78.3	Confident	16 Å²	16	59.8 Å²	59.8	10%	0.097	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	121.2	-176.9	-173.7	0	0	0	0	109.6	A101 I104 R105 V139 V141	A101-V112 HydrophobicContact CB-CG1 3.78Å; I104-V112 HydrophobicContact CB-CG2 4.07Å; I104-V112 HydrophobicContact CG2-CG2 3.58Å; R105-V112 HydrophobicContact CG-CB 3.8Å; R105-V112 HydrophobicContact CG-CG2 3.62Å; R105-V112 PolarHBondContact NH2-O 3.39Å; V112-V139 WeakPolarHBondContact CA-O 3.3Å; V112-V139 HydrophobicContact CG2-CB 4.41Å; V112-V141 HydrophobicContact CG1-CG2 3.73Å
113	A	89.4	Confident	77.2	Confident	15 Å²	15	58.5 Å²	58.5	12%	0.124	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	145.9	174.1	0	0	0	0	0	110.6	L115 L132 V138 V139 V141	A113-L115 HydrophobicContact CB-CD1 4.36Å; A113-L132 HydrophobicContact CB-CD2 3.8Å; A113-V138 HydrophobicContact CB-CG1 3.49Å; A113-V138 VanDerWaalsContact CB-CG1 3.49Å; A113-V139 PolarHBondContact N-O 3.13Å; A113-V141 PolarHBondContact O-N 3.28Å
114	E	89.2	Confident	76.4	Confident	68 Å²	68	56.9 Å²	56.9	32%	0.318	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	123	179.9	-70.3	173.2	-135.3	0	0	109.5	V97 A101 R105	V97-E114 HydrophobicContact CG1-CB 3.82Å; V97-E114 HydrophobicContact CG1-CG 3.99Å; A101-E114 HydrophobicContact CB-CG 3.45Å; A101-E114 VanDerWaalsContact CB-CG 3.45Å; R105-E114 IonicContact CZ-OE1 2.76Å; R105-E114 IonicContact NH1-OE1 3.93Å; R105-E114 PolarHBondContact NH1-OE1 3.05Å; R105-E114 IonicContact NH2-OE1 3.72Å; R105-E114 PolarHBondContact NH2-OE1 3.12Å
115	L	85.6	Confident	75.8	Confident	1 Å²	1	58.8 Å²	58.8	1%	0.005	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	99	175	-79.8	69.6	0	0	0	109.1	A113 Y124 W129 L132 I140 V141 V142 V143 L146	A113-L115 HydrophobicContact CB-CD1 4.36Å; L115-Y124 HydrophobicContact CG-CE1 4.45Å; L115-W129 HydrophobicContact CD2-CD2 4.43Å; L115-W129 HydrophobicContact CD2-CE3 4.34Å; L115-W129 HydrophobicContact CD2-CH2 3.59Å; L115-W129 HydrophobicContact CD2-CZ2 3.65Å; L115-W129 HydrophobicContact CD2-CZ3 3.95Å; L115-L132 HydrophobicContact CD1-CD1 3.65Å; L115-L132 HydrophobicContact CD1-CD2 4.13Å; L115-L132 HydrophobicContact CD1-CG 4.5Å; L115-L132 HydrophobicContact CD2-CD1 3.85Å; L115-L132 HydrophobicContact CG-CD1 3.86Å; L115-I140 HydrophobicContact CD1-CG2 3.6Å; L115-I140 HydrophobicContact CD2-CG2 4.3Å; L115-I140 HydrophobicContact CG-CG2 4.45Å; L115-V141 PolarHBondContact N-O 2.9Å; L115-V142 HydrophobicContact CB-CB 4.08Å; L115-V142 HydrophobicContact CB-CG2 3.77Å; L115-V142 HydrophobicContact CD2-CG2 4.18Å; L115-V143 PolarHBondContact O-N 3.45Å; L115-L146 HydrophobicContact CB-CD1 4.27Å
116	C	78.4	Confident	75.4	Confident	25 Å²	25	57.3 Å²	57.3	17%	0.169	35%	0.345	C	S	.	.			trans	-105.9	146.4	174.1	-55.5	0	0	0	0	109.1	V94 V97 C118 Y124	V94-C116 HydrophobicContact CG1-CB 3.9Å; V94-C116 HydrophobicContact CG2-CB 4.48Å; V97-C116 VanDerWaalsContact CG1-SG 3.51Å; C116-C118 PolarHBondContact O-N 3.07Å; C116-Y124 WeakPolarHBondContact O-CE2 3.38Å; C116-Y124 PolarHBondContact O-OH 3.27Å
117	G	67.5	Low	75.1	Confident	47 Å²	47	54.4 Å²	54.4	49%	0.485	35%	0.345	S	S	.	.			trans	-58.4	134.6	176.4	0	0	0	0	0	111.7
118	C	52.9	Low	74.8	Confident	72 Å²	72	55.9 Å²	55.9	49%	0.486	35%	0.352	S	S	.	.			trans	-69.8	144.8	172.1	-60.9	0	0	0	0	109.7	C116 G120	C116-C118 PolarHBondContact O-N 3.07Å; C118-G120 VanDerWaalsContact C-N 3.32Å; C118-G120 PolarHBondContact O-N 3.2Å
119	T	43.2	Very low	74.8	Confident	163 Å²	163	55.3 Å²	55.3	100%	1	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.1	90.5	174.3	4.9	0	0	0	0	108.5
120	G	44.1	Very low	74.7	Confident	63 Å²	63	52.6 Å²	52.6	65%	0.649	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	160	-5.8	-178.8	0	0	0	0	0	117.8	C118 D122	C118-G120 VanDerWaalsContact C-N 3.32Å; C118-G120 PolarHBondContact O-N 3.2Å; G120-D122 PolarHBondContact O-N 2.85Å
121	G	50.3	Low	74.6	Confident	60 Å²	60	54.4 Å²	54.4	62%	0.619	35%	0.349	S	S	*	.	S	Bend	trans	76.2	0.9	178.7	0	0	0	0	0	115	M600	G121-M600 WeakPolarHBondContact O-CE 3.46Å
122	D	56.6	Low	74.4	Confident	94 Å²	94	51.4 Å²	51.4	50%	0.503	34%	0.338	S	S	.	.	P	Polyproline II helix	trans	-70.7	140.7	174.1	-75.3	-37.4	0	0	0	111.8	G120	G120-D122 PolarHBondContact O-N 2.85Å
123	F	67	Low	74.2	Confident	28 Å²	28	50.8 Å²	50.8	12%	0.123	33%	0.334	C	S	.	.	P	Polyproline II helix	trans	-68.7	150.8	166.9	-69.9	-86.3	0	0	0	110.4	S125 D149 H153 R596 I597 M600 L678	F123-S125 PolarHBondContact O-N 3.31Å; F123-D149 HydrophobicContact CD1-CB 3.76Å; F123-D149 HydrophobicContact CE1-CB 3.59Å; F123-D149 VanDerWaalsContact CE1-OD2 3.22Å; F123-D149 WeakPolarHBondContact CE1-OD2 3.22Å; F123-H153 AromaticContact CD1-CD2 3.99Å; F123-H153 AromaticContact CE1-CD2 3.55Å; F123-H153 AromaticContact CE1-NE2 3.37Å; F123-H153 WeakPolarHBondContact CE1-NE2 3.03Å; F123-H153 AromaticContact CZ-CD2 3.97Å; F123-H153 AromaticContact CZ-NE2 3.33Å; F123-H153 VanDerWaalsContact CZ-NE2 3.33Å; F123-H153 WeakPolarHBondContact CZ-NE2 3.35Å; F123-R596 VanDerWaalsContact CZ-CZ 3.4Å; F123-I597 HydrophobicContact CE2-CD1 3.88Å; F123-I597 HydrophobicContact CZ-CD1 3.75Å; F123-M600 HydrophobicContact CD2-CE 3.25Å; F123-M600 HydrophobicContact CD2-SD 3.38Å; F123-M600 WeakPolarHBondContact CD2-SD 3.42Å; F123-M600 HydrophobicContact CE2-CE 3.1Å; F123-M600 HydrophobicContact CE2-SD 3.42Å; F123-M600 WeakPolarHBondContact CE2-SD 3.32Å; F123-M600 HydrophobicContact CG-CE 4.37Å; F123-M600 HydrophobicContact CZ-CE 4.17Å; F123-L678 HydrophobicContact CB-CD1 4.15Å; F123-L678 HydrophobicContact CD2-CD1 3.98Å; F123-L678 HydrophobicContact CD2-CD2 3.41Å; F123-L678 VanDerWaalsContact CD2-CD2 3.41Å; F123-L678 HydrophobicContact CD2-CG 4.36Å; F123-L678 HydrophobicContact CE2-CD2 3.24Å; F123-L678 HydrophobicContact CG-CD1 4.11Å; F123-L678 HydrophobicContact CG-CD2 4.19Å; F123-L678 HydrophobicContact CZ-CD2 3.87Å
124	Y	73.6	Confident	73.9	Confident	33 Å²	33	53.8 Å²	53.8	13%	0.129	35%	0.348	C	S	.	.	P	Polyproline II helix	trans	-61.2	134.2	157.8	-78	-98.1	0	0	0	109	L115 C116 E128 L146 F155	L115-Y124 HydrophobicContact CG-CE1 4.45Å; C116-Y124 WeakPolarHBondContact O-CE2 3.38Å; C116-Y124 PolarHBondContact O-OH 3.27Å; Y124-E128 HydrophobicContact CD1-CB 4.11Å; Y124-L146 HydrophobicContact CD2-CD1 4Å; Y124-L146 HydrophobicContact CD2-CD2 3.92Å; Y124-L146 HydrophobicContact CE2-CD1 3.56Å; Y124-L146 HydrophobicContact CE2-CD2 4.18Å; Y124-L146 HydrophobicContact CE2-CG 4.48Å; Y124-F155 WeakPolarHBondContact O-CE2 3.42Å
125	S	79.2	Confident	73.1	Confident	41 Å²	41	55.2 Å²	55.2	29%	0.287	36%	0.357	S	S	.	.	P	Polyproline II helix	trans	-70.8	160.7	175.2	63.7	0	0	0	0	111.6	F123 A127 E128 W129	F123-S125 PolarHBondContact O-N 3.31Å; S125-A127 VanDerWaalsContact C-N 3.26Å; S125-A127 PolarHBondContact O-N 2.84Å; S125-E128 WeakPolarHBondContact CB-OE2 3.36Å; S125-E128 PolarHBondContact N-OE2 3.43Å; S125-E128 PolarHBondContact O-N 2.72Å; S125-E128 VanDerWaalsContact OG-CD 3.31Å; S125-E128 VanDerWaalsContact OG-CG 3.29Å; S125-E128 WeakPolarHBondContact OG-CG 3.21Å; S125-E128 PolarHBondContact OG-N 2.94Å; S125-E128 PolarHBondContact OG-OE2 3.42Å; S125-W129 PolarHBondContact O-N 2.76Å; S125-W129 VanDerWaalsContact O-N 3.17Å
126	K	82.8	Confident	71.6	Confident	77 Å²	77	61 Å²	61	34%	0.335	38%	0.383	S	S	.	.	H	α-helix	trans	-54.7	-44.3	171.1	175.4	174.8	176.2	-172.9	0	111.6	E128 W129 D130 F155 H676	K126-E128 VanDerWaalsContact C-N 3.3Å; K126-E128 PolarHBondContact O-N 3.21Å; K126-W129 PolarHBondContact O-N 2.86Å; K126-D130 WeakPolarHBondContact CE-OD2 3.31Å; K126-D130 VanDerWaalsContact CG-OD2 3.32Å; K126-D130 WeakPolarHBondContact CG-OD2 3.31Å; K126-D130 WeakPolarHBondContact O-CB 3.33Å; K126-D130 PolarHBondContact O-N 3.32Å; K126-F155 HydrophobicContact CB-CD1 3.73Å; K126-F155 HydrophobicContact CB-CE1 3.96Å; K126-F155 HydrophobicContact CB-CG 4.5Å; K126-F155 HydrophobicContact CG-CD1 4.39Å; K126-H676 VanDerWaalsContact CD-NE2 3.28Å; K126-H676 WeakPolarHBondContact CD-NE2 3.38Å
127	A	84.4	Confident	70.9	Confident	69 Å²	69	62.3 Å²	62.3	57%	0.57	39%	0.386	S	S	*	.	H	α-helix	trans	-61	-38.4	-179	0	0	0	0	0	112.5	S125 D130 A131	S125-A127 VanDerWaalsContact C-N 3.26Å; S125-A127 PolarHBondContact O-N 2.84Å; A127-D130 PolarHBondContact O-N 2.89Å; A127-A131 VanDerWaalsContact O-CB 3.28Å; A127-A131 WeakPolarHBondContact O-CB 3.5Å; A127-A131 PolarHBondContact O-N 2.87Å
128	E	84.5	Confident	70.9	Confident	67 Å²	67	60.4 Å²	60.4	31%	0.313	37%	0.365	S	S	.	.	H	α-helix	trans	-66.9	-43.6	175.6	-72.9	162.3	139.1	0	0	111.5	Y124 S125 K126 A131 L132	Y124-E128 HydrophobicContact CD1-CB 4.11Å; S125-E128 WeakPolarHBondContact CB-OE2 3.36Å; S125-E128 PolarHBondContact N-OE2 3.43Å; S125-E128 PolarHBondContact O-N 2.72Å; S125-E128 VanDerWaalsContact OG-CD 3.31Å; S125-E128 VanDerWaalsContact OG-CG 3.29Å; S125-E128 WeakPolarHBondContact OG-CG 3.21Å; S125-E128 PolarHBondContact OG-N 2.94Å; S125-E128 PolarHBondContact OG-OE2 3.42Å; K126-E128 VanDerWaalsContact C-N 3.3Å; K126-E128 PolarHBondContact O-N 3.21Å; E128-A131 PolarHBondContact O-N 2.77Å; E128-L132 WeakPolarHBondContact O-CB 3.37Å; E128-L132 WeakPolarHBondContact O-CD1 3.4Å; E128-L132 WeakPolarHBondContact O-CG 3.46Å; E128-L132 PolarHBondContact O-N 3.5Å
129	W	86.5	Confident	71.8	Confident	4 Å²	4	57 Å²	57	2%	0.015	34%	0.342	C	S	.	.	H	α-helix	trans	-61.3	-45.4	173.5	-86.1	102.7	0	0	0	112.2	L115 S125 K126 A131 L132 M133 I140 V142 F155 V156	L115-W129 HydrophobicContact CD2-CD2 4.43Å; L115-W129 HydrophobicContact CD2-CE3 4.34Å; L115-W129 HydrophobicContact CD2-CH2 3.59Å; L115-W129 HydrophobicContact CD2-CZ2 3.65Å; L115-W129 HydrophobicContact CD2-CZ3 3.95Å; S125-W129 PolarHBondContact O-N 2.76Å; S125-W129 VanDerWaalsContact O-N 3.17Å; K126-W129 PolarHBondContact O-N 2.86Å; W129-A131 VanDerWaalsContact C-N 3.35Å; W129-A131 PolarHBondContact O-N 2.9Å; W129-L132 PolarHBondContact O-N 2.78Å; W129-M133 WeakPolarHBondContact O-CB 3.47Å; W129-M133 WeakPolarHBondContact O-CG 3.48Å; W129-M133 PolarHBondContact O-N 3.14Å; W129-I140 HydrophobicContact CZ3-CD1 4.29Å; W129-V142 HydrophobicContact CH2-CG2 4.44Å; W129-F155 HydrophobicContact CB-CB 4.09Å; W129-F155 AromaticContact CD1-CD2 3.57Å; W129-F155 HydrophobicContact CG-CB 3.93Å; W129-F155 HydrophobicContact CG-CD2 4.48Å; W129-F155 AromaticContact NE1-CD2 3.84Å; W129-V156 HydrophobicContact CB-CG1 4.42Å; W129-V156 HydrophobicContact CD2-CG1 4.02Å; W129-V156 HydrophobicContact CE3-CG1 3.47Å; W129-V156 VanDerWaalsContact CE3-CG1 3.47Å; W129-V156 HydrophobicContact CE3-CG2 4.39Å; W129-V156 HydrophobicContact CG-CG1 4.45Å; W129-V156 HydrophobicContact CZ3-CG1 4.03Å; W129-V156 HydrophobicContact CZ3-CG2 4.32Å
130	D	86.8	Confident	73.4	Confident	50 Å²	50	49.2 Å²	49.2	27%	0.267	29%	0.294	S	S	.	.	H	α-helix	trans	-62.8	-42.4	178.1	-73.4	-24.8	0	0	0	111	K126 A127 L132 M133 N134	K126-D130 WeakPolarHBondContact CE-OD2 3.31Å; K126-D130 VanDerWaalsContact CG-OD2 3.32Å; K126-D130 WeakPolarHBondContact CG-OD2 3.31Å; K126-D130 WeakPolarHBondContact O-CB 3.33Å; K126-D130 PolarHBondContact O-N 3.32Å; A127-D130 PolarHBondContact O-N 2.89Å; D130-L132 PolarHBondContact O-N 3.29Å; D130-M133 PolarHBondContact O-N 3.23Å; D130-N134 WeakPolarHBondContact O-CB 3.4Å; D130-N134 VanDerWaalsContact O-CG 3.24Å; D130-N134 PolarHBondContact O-N 3.06Å; D130-N134 PolarHBondContact O-ND2 3.2Å
131	A	85.2	Confident	75.3	Confident	46 Å²	46	46.2 Å²	46.2	38%	0.38	26%	0.263	S	S	.	.	H	α-helix	trans	-61.2	-43.6	175.1	0	0	0	0	0	111.7	A127 E128 W129 N135	A127-A131 VanDerWaalsContact O-CB 3.28Å; A127-A131 WeakPolarHBondContact O-CB 3.5Å; A127-A131 PolarHBondContact O-N 2.87Å; E128-A131 PolarHBondContact O-N 2.77Å; W129-A131 VanDerWaalsContact C-N 3.35Å; W129-A131 PolarHBondContact O-N 2.9Å; A131-N135 WeakPolarHBondContact O-CB 3.42Å; A131-N135 VanDerWaalsContact O-CG 3.26Å; A131-N135 PolarHBondContact O-N 2.59Å; A131-N135 PolarHBondContact O-ND2 3.37Å; A131-N135 VanDerWaalsContact O-ND2 3.16Å
132	L	84.9	Confident	77	Confident	41 Å²	41	43.3 Å²	43.3	22%	0.215	23%	0.234	C	C	.	.	H	α-helix	trans	-65.7	-42	177.7	-74.4	163.3	0	0	0	112.6	A113 L115 E128 W129 D130	A113-L132 HydrophobicContact CB-CD2 3.8Å; L115-L132 HydrophobicContact CD1-CD1 3.65Å; L115-L132 HydrophobicContact CD1-CD2 4.13Å; L115-L132 HydrophobicContact CD1-CG 4.5Å; L115-L132 HydrophobicContact CD2-CD1 3.85Å; L115-L132 HydrophobicContact CG-CD1 3.86Å; E128-L132 WeakPolarHBondContact O-CB 3.37Å; E128-L132 WeakPolarHBondContact O-CD1 3.4Å; E128-L132 WeakPolarHBondContact O-CG 3.46Å; E128-L132 PolarHBondContact O-N 3.5Å; W129-L132 PolarHBondContact O-N 2.78Å; D130-L132 PolarHBondContact O-N 3.29Å
133	M	86.6	Confident	78.5	Confident	3 Å²	3	39.9 Å²	39.9	2%	0.015	22%	0.216	C	C	.	.	H	α-helix	trans	-71.1	-41.6	-179.4	-70.5	-66.9	-80.3	0	0	111.3	L80 R86 W129 D130 I140 V156 Q160 F161	L80-M133 HydrophobicContact CD1-CB 3.77Å; L80-M133 HydrophobicContact CD1-CE 4.07Å; L80-M133 WeakPolarHBondContact CD1-O 3.49Å; R86-M133 HydrophobicContact CB-CE 4.26Å; R86-M133 HydrophobicContact CB-SD 4.28Å; R86-M133 HydrophobicContact CG-CE 3.93Å; R86-M133 HydrophobicContact CG-SD 3.91Å; R86-M133 PolarHBondContact NE-O 2.96Å; R86-M133 PolarHBondContact NH2-O 3.39Å; W129-M133 WeakPolarHBondContact O-CB 3.47Å; W129-M133 WeakPolarHBondContact O-CG 3.48Å; W129-M133 PolarHBondContact O-N 3.14Å; D130-M133 PolarHBondContact O-N 3.23Å; M133-I140 HydrophobicContact SD-CD1 3.53Å; M133-I140 VanDerWaalsContact SD-CD1 3.53Å; M133-V156 HydrophobicContact CE-CG1 4.32Å; M133-V156 HydrophobicContact CG-CG1 4.02Å; M133-V156 HydrophobicContact SD-CG1 4.32Å; M133-Q160 HydrophobicContact CE-CB 3.8Å; M133-F161 HydrophobicContact CE-CE1 4.02Å; M133-F161 HydrophobicContact CE-CZ 4.06Å; M133-F161 HydrophobicContact SD-CE1 4.13Å; M133-F161 HydrophobicContact SD-CZ 4.32Å
134	N	83.3	Confident	79.6	Confident	78 Å²	78	38.8 Å²	38.8	42%	0.417	21%	0.212	S	C	.	.	H	α-helix	trans	-75.7	-34.1	-177.9	-72	-39.2	0	0	0	113.1	D130 F136	D130-N134 WeakPolarHBondContact O-CB 3.4Å; D130-N134 VanDerWaalsContact O-CG 3.24Å; D130-N134 PolarHBondContact O-N 3.06Å; D130-N134 PolarHBondContact O-ND2 3.2Å; N134-F136 PolarHBondContact O-N 2.95Å
135	N	71.1	Confident	80.3	Confident	97 Å²	97	40.4 Å²	40.4	52%	0.519	22%	0.221	S	C	.	.	S	Bend	trans	-76.4	88.5	-178.9	-75.6	-29.3	0	0	0	111.9	A131 V138	A131-N135 WeakPolarHBondContact O-CB 3.42Å; A131-N135 VanDerWaalsContact O-CG 3.26Å; A131-N135 PolarHBondContact O-N 2.59Å; A131-N135 PolarHBondContact O-ND2 3.37Å; A131-N135 VanDerWaalsContact O-ND2 3.16Å; N135-V138 WeakPolarHBondContact O-CG2 3.49Å
136	F	54.2	Low	80.8	Confident	124 Å²	124	39.3 Å²	39.3	54%	0.544	21%	0.212	S	C	.	.	S	Bend	trans	69.2	176.6	162.3	-55.5	-84.8	0	0	0	117.1	R86 K111 N134 V138	R86-F136 PolarHBondContact NE-O 2.95Å; R86-F136 PolarHBondContact NH2-O 3.08Å; K111-F136 HydrophobicContact CD-CB 3.53Å; K111-F136 HydrophobicContact CD-CD2 4.41Å; K111-F136 HydrophobicContact CD-CG 4Å; N134-F136 PolarHBondContact O-N 2.95Å; F136-V138 VanDerWaalsContact C-N 3.26Å; F136-V138 WeakPolarHBondContact O-CG2 3.18Å; F136-V138 PolarHBondContact O-N 3.16Å
137	E	65	Low	81.3	Confident	51 Å²	51	35.7 Å²	35.7	24%	0.238	20%	0.196	C	C	.	.	S	Bend	trans	-63	76.9	-177.5	-41.5	-175.6	157.1	0	0	111.3	I76 R77 K111	I76-E137 HydrophobicContact CG2-CB 4.17Å; R77-E137 VanDerWaalsContact CA-OE1 3.3Å; R77-E137 WeakPolarHBondContact CA-OE1 3.31Å; R77-E137 HydrophobicContact CB-CG 4.43Å; R77-E137 WeakPolarHBondContact CB-OE1 3.46Å; R77-E137 VanDerWaalsContact CD-OE1 3.32Å; R77-E137 WeakPolarHBondContact CD-OE1 3.49Å; R77-E137 VanDerWaalsContact CG-CD 3.42Å; R77-E137 HydrophobicContact CG-CG 4.4Å; R77-E137 WeakPolarHBondContact CG-OE1 3.28Å; R77-E137 WeakPolarHBondContact CG-OE2 3.49Å; R77-E137 IonicContact CZ-OE2 2.76Å; R77-E137 IonicContact NE-OE2 2.67Å; R77-E137 IonicContact NH1-OE1 2.99Å; R77-E137 IonicContact NH1-OE2 3.86Å; R77-E137 PolarHBondContact NH1-OE2 2.83Å; K111-E137 PolarHBondContact N-O 3.08Å
138	V	66.4	Low	81.6	Confident	7 Å²	7	32.4 Å²	32.4	4%	0.042	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	129.2	-165.9	173.6	0	0	0	0	112.8	K111 A113 N135 F136 I140	K111-V138 HydrophobicContact CB-CG2 4.04Å; K111-V138 CarbonylContact O-C 3.56Å; K111-V138 VanDerWaalsContact O-CA 3.27Å; K111-V138 WeakPolarHBondContact O-CA 3.32Å; A113-V138 HydrophobicContact CB-CG1 3.49Å; A113-V138 VanDerWaalsContact CB-CG1 3.49Å; N135-V138 WeakPolarHBondContact O-CG2 3.49Å; F136-V138 VanDerWaalsContact C-N 3.26Å; F136-V138 WeakPolarHBondContact O-CG2 3.18Å; F136-V138 PolarHBondContact O-N 3.16Å; V138-I140 HydrophobicContact CG1-CG1 3.71Å
139	V	71	Confident	81.8	Confident	0 Å²	0	29.4 Å²	29.4	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	120.5	156.2	-175.4	0	0	0	0	108	I69 S87 F89 I104 L110 K111 V112 A113	I69-V139 HydrophobicContact CD1-CG1 4.07Å; I69-V139 HydrophobicContact CG2-CG2 3.7Å; S87-V139 WeakPolarHBondContact O-CA 3.13Å; F89-V139 HydrophobicContact CB-CG1 4.46Å; I104-V139 HydrophobicContact CD1-CG1 4.09Å; I104-V139 HydrophobicContact CG2-CG2 4.4Å; L110-V139 HydrophobicContact CB-CG2 4.29Å; L110-V139 HydrophobicContact CD1-CG2 3.97Å; K111-V139 PolarHBondContact O-N 3.31Å; V112-V139 WeakPolarHBondContact CA-O 3.3Å; V112-V139 HydrophobicContact CG2-CB 4.41Å; A113-V139 PolarHBondContact N-O 3.13Å
140	I	78.5	Confident	82.1	Confident	0 Å²	0	29.2 Å²	29.2	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	116.4	-180	-59.3	-179.1	0	0	0	108.4	S87 I88 F89 L115 W129 M133 V138 V142	S87-I140 PolarHBondContact O-N 3.07Å; I88-I140 CarbonylContact C-O 3.54Å; I88-I140 WeakPolarHBondContact CA-O 3.36Å; I88-I140 HydrophobicContact CD1-CB 4.23Å; I88-I140 HydrophobicContact CD1-CG2 4.18Å; I88-I140 HydrophobicContact CG1-CB 4.07Å; I88-I140 HydrophobicContact CG1-CG2 4.3Å; F89-I140 PolarHBondContact N-O 2.76Å; L115-I140 HydrophobicContact CD1-CG2 3.6Å; L115-I140 HydrophobicContact CD2-CG2 4.3Å; L115-I140 HydrophobicContact CG-CG2 4.45Å; W129-I140 HydrophobicContact CZ3-CD1 4.29Å; M133-I140 HydrophobicContact SD-CD1 3.53Å; M133-I140 VanDerWaalsContact SD-CD1 3.53Å; V138-I140 HydrophobicContact CG1-CG1 3.71Å; I140-V142 HydrophobicContact CG2-CB 4.14Å
141	V	83.5	Confident	82.4	Confident	0 Å²	0	27 Å²	27	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	118.4	170.4	-167.7	0	0	0	0	108.8	F89 V91 V97 Q100 A101 I104 V112 A113 L115	F89-V141 HydrophobicContact CB-CG2 4.27Å; F89-V141 HydrophobicContact CD1-CG1 4.45Å; F89-V141 VanDerWaalsContact O-CA 3.31Å; F89-V141 WeakPolarHBondContact O-CA 3.27Å; V91-V141 HydrophobicContact CG1-CG1 4.41Å; V97-V141 HydrophobicContact CB-CG1 4.25Å; V97-V141 HydrophobicContact CG1-CB 4.14Å; V97-V141 HydrophobicContact CG1-CG1 4Å; V97-V141 WeakPolarHBondContact CG1-O 3.42Å; V97-V141 HydrophobicContact CG2-CG1 4.46Å; Q100-V141 HydrophobicContact CB-CG1 4.18Å; A101-V141 HydrophobicContact CB-CB 4.31Å; A101-V141 HydrophobicContact CB-CG2 3.92Å; I104-V141 HydrophobicContact CD1-CG2 3.82Å; V112-V141 HydrophobicContact CG1-CG2 3.73Å; A113-V141 PolarHBondContact O-N 3.28Å; L115-V141 PolarHBondContact N-O 2.9Å
142	V	85.9	Confident	82.6	Confident	0 Å²	0	25.1 Å²	25.1	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	144.1	-165.4	63.2	0	0	0	0	112.4	I88 F89 V90 V91 L115 W129 I140 L146 F147	I88-V142 HydrophobicContact CD1-CG1 3.84Å; I88-V142 HydrophobicContact CG1-CG1 3.66Å; F89-V142 PolarHBondContact O-N 3.29Å; V90-V142 WeakPolarHBondContact CA-O 3.39Å; V90-V142 HydrophobicContact CB-CG1 4.49Å; V90-V142 HydrophobicContact CG1-CG1 4.34Å; V90-V142 HydrophobicContact CG2-CG1 4.19Å; V91-V142 PolarHBondContact N-O 3.44Å; L115-V142 HydrophobicContact CB-CB 4.08Å; L115-V142 HydrophobicContact CB-CG2 3.77Å; L115-V142 HydrophobicContact CD2-CG2 4.18Å; W129-V142 HydrophobicContact CH2-CG2 4.44Å; I140-V142 HydrophobicContact CG2-CB 4.14Å; V142-L146 HydrophobicContact CG2-CB 3.66Å; V142-L146 HydrophobicContact CG2-CD1 4.46Å; V142-F147 HydrophobicContact CG1-CB 3.9Å; V142-F147 HydrophobicContact CG1-CG 4.49Å; V142-F147 HydrophobicContact CG2-CB 4.3Å
143	V	87.3	Confident	82.9	Confident	22 Å²	22	23.3 Å²	23.3	13%	0.133	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.3	135.4	169.9	-179.2	0	0	0	0	110.2	V91 V94 V97 L115 Q145 L146 F147	V91-V143 CarbonylContact O-C 3.58Å; V91-V143 VanDerWaalsContact O-CA 3.29Å; V91-V143 WeakPolarHBondContact O-CA 3.41Å; V94-V143 HydrophobicContact CG2-CG2 4.11Å; V97-V143 HydrophobicContact CG2-CG2 3.69Å; L115-V143 PolarHBondContact O-N 3.45Å; V143-Q145 PolarHBondContact O-N 2.87Å; V143-L146 HydrophobicContact CB-CD1 4.43Å; V143-L146 HydrophobicContact CB-CG 4.48Å; V143-L146 WeakPolarHBondContact O-CB 3.28Å; V143-L146 PolarHBondContact O-N 3.12Å; V143-F147 PolarHBondContact O-N 3.3Å
144	A	91.3	Very high	83.1	Confident	4 Å²	4	23.4 Å²	23.4	3%	0.033	12%	0.117	C	C	.	.	H	α-helix	trans	-43	-45.6	-176.7	0	0	0	0	0	114.4	V90 V91 F147 S148 P177 Y178	V90-A144 HydrophobicContact CG1-CB 4.1Å; V91-A144 PolarHBondContact O-N 2.98Å; A144-F147 PolarHBondContact O-N 3.27Å; A144-S148 PolarHBondContact O-N 3.44Å; A144-S148 VanDerWaalsContact O-N 3.09Å; A144-P177 HydrophobicContact CB-CB 3.86Å; A144-P177 HydrophobicContact CB-CG 4.35Å; A144-P177 WeakPolarHBondContact O-CB 3.46Å; A144-Y178 HydrophobicContact CB-CD1 3.73Å; A144-Y178 HydrophobicContact CB-CE1 3.31Å
145	Q	88.3	Confident	83.4	Confident	68 Å²	68	20 Å²	20	32%	0.318	10%	0.099	S	C	.	.	H	α-helix	trans	-60.7	-48.4	179.3	-170.6	62.2	53.2	0	0	111.7	V143 F147 S148 D149 P177	V143-Q145 PolarHBondContact O-N 2.87Å; Q145-F147 VanDerWaalsContact C-N 3.29Å; Q145-F147 PolarHBondContact O-N 2.67Å; Q145-S148 PolarHBondContact NE2-OG 3.2Å; Q145-S148 PolarHBondContact O-N 3.25Å; Q145-S148 PolarHBondContact O-OG 3.08Å; Q145-D149 PolarHBondContact NE2-OD1 3.23Å; Q145-D149 WeakPolarHBondContact O-CB 3.38Å; Q145-D149 PolarHBondContact O-N 2.78Å; Q145-P177 HydrophobicContact CB-CG 4.42Å; Q145-P177 VanDerWaalsContact OE1-CG 3.28Å
146	L	89.6	Confident	84.4	Confident	17 Å²	17	15.5 Å²	15.5	9%	0.089	8%	0.075	C	C	.	.	H	α-helix	trans	-62.8	-35.9	-178.5	-63.6	179.5	0	0	0	112.2	L115 Y124 V142 V143 D149 G150	L115-L146 HydrophobicContact CB-CD1 4.27Å; Y124-L146 HydrophobicContact CD2-CD1 4Å; Y124-L146 HydrophobicContact CD2-CD2 3.92Å; Y124-L146 HydrophobicContact CE2-CD1 3.56Å; Y124-L146 HydrophobicContact CE2-CD2 4.18Å; Y124-L146 HydrophobicContact CE2-CG 4.48Å; V142-L146 HydrophobicContact CG2-CB 3.66Å; V142-L146 HydrophobicContact CG2-CD1 4.46Å; V143-L146 HydrophobicContact CB-CD1 4.43Å; V143-L146 HydrophobicContact CB-CG 4.48Å; V143-L146 WeakPolarHBondContact O-CB 3.28Å; V143-L146 PolarHBondContact O-N 3.12Å; L146-D149 PolarHBondContact O-N 3.48Å; L146-G150 PolarHBondContact O-N 3.01Å
147	F	93.1	Very high	86.2	Confident	1 Å²	1	10.4 Å²	10.4	0%	0.004	6%	0.056	C	C	.	.	H	α-helix	trans	-66.7	-47.9	175	179.7	-134	0	0	0	111.7	I88 V90 V142 V143 A144 Q145 D149 G150 L151 M158 F161 V164 F166 A181	I88-F147 HydrophobicContact CD1-CD2 3.48Å; I88-F147 VanDerWaalsContact CD1-CD2 3.48Å; I88-F147 HydrophobicContact CD1-CE2 3.66Å; I88-F147 HydrophobicContact CD1-CG 4.2Å; I88-F147 HydrophobicContact CD1-CZ 4.46Å; I88-F147 HydrophobicContact CG1-CD2 4.47Å; I88-F147 HydrophobicContact CG2-CE2 4.38Å; I88-F147 HydrophobicContact CG2-CZ 4.2Å; V90-F147 HydrophobicContact CG1-CB 4.28Å; V90-F147 HydrophobicContact CG1-CD1 4.21Å; V90-F147 HydrophobicContact CG2-CD1 3.63Å; V90-F147 HydrophobicContact CG2-CE1 4.02Å; V90-F147 HydrophobicContact CG2-CG 4.21Å; V142-F147 HydrophobicContact CG1-CB 3.9Å; V142-F147 HydrophobicContact CG1-CG 4.49Å; V142-F147 HydrophobicContact CG2-CB 4.3Å; V143-F147 PolarHBondContact O-N 3.3Å; A144-F147 PolarHBondContact O-N 3.27Å; Q145-F147 VanDerWaalsContact C-N 3.29Å; Q145-F147 PolarHBondContact O-N 2.67Å; F147-D149 PolarHBondContact O-N 3.36Å; F147-G150 PolarHBondContact O-N 3.24Å; F147-L151 HydrophobicContact CD1-CD1 4.38Å; F147-L151 HydrophobicContact CD2-CD1 4.22Å; F147-L151 HydrophobicContact CD2-CG 4.33Å; F147-L151 HydrophobicContact CE1-CD1 3.97Å; F147-L151 HydrophobicContact CE2-CD1 3.78Å; F147-L151 HydrophobicContact CE2-CD2 4.3Å; F147-L151 HydrophobicContact CE2-CG 3.98Å; F147-L151 HydrophobicContact CZ-CD1 3.66Å; F147-L151 HydrophobicContact CZ-CG 4.34Å; F147-L151 WeakPolarHBondContact O-CG 3.47Å; F147-L151 PolarHBondContact O-N 2.8Å; F147-L151 VanDerWaalsContact O-N 3.12Å; F147-M158 HydrophobicContact CZ-CE 4.16Å; F147-M158 HydrophobicContact CZ-SD 4.2Å; F147-F161 HydrophobicContact CE2-CD2 4.36Å; F147-F161 AromaticContact CE2-CE2 3.8Å; F147-F161 HydrophobicContact CE2-CE2 3.8Å; F147-F161 HydrophobicContact CE2-CZ 4.09Å; F147-F161 HydrophobicContact CZ-CE2 4.47Å; F147-V164 HydrophobicContact CE1-CG1 4Å; F147-V164 HydrophobicContact CZ-CG1 4.37Å; F147-V164 HydrophobicContact CZ-CG2 4.41Å; F147-F166 HydrophobicContact CE1-CE1 4.42Å; F147-F166 HydrophobicContact CE1-CZ 4.41Å; F147-A181 HydrophobicContact CD1-CB 3.84Å; F147-A181 HydrophobicContact CE1-CB 3.73Å
148	S	90.9	Very high	87.5	Confident	0 Å²	0	8.3 Å²	8.3	0%	0	5%	0.046	C	C	.	.	H	α-helix	trans	-60.7	-34.4	176.3	71.7	0	0	0	0	112.2	A144 Q145 N152	A144-S148 PolarHBondContact O-N 3.44Å; A144-S148 VanDerWaalsContact O-N 3.09Å; Q145-S148 PolarHBondContact NE2-OG 3.2Å; Q145-S148 PolarHBondContact O-N 3.25Å; Q145-S148 PolarHBondContact O-OG 3.08Å; S148-N152 WeakPolarHBondContact O-CB 3.22Å; S148-N152 PolarHBondContact O-N 2.91Å; S148-N152 PolarHBondContact O-ND2 3.41Å
149	D	89.2	Confident	88.8	Confident	4 Å²	4	10.6 Å²	10.6	2%	0.021	6%	0.056	C	C	.	.	H	α-helix	trans	-69.8	-46.6	177.9	-68	-10.4	0	0	0	111.4	F123 Q145 L146 F147 L151 N152 H153 R596	F123-D149 HydrophobicContact CD1-CB 3.76Å; F123-D149 HydrophobicContact CE1-CB 3.59Å; F123-D149 VanDerWaalsContact CE1-OD2 3.22Å; F123-D149 WeakPolarHBondContact CE1-OD2 3.22Å; Q145-D149 PolarHBondContact NE2-OD1 3.23Å; Q145-D149 WeakPolarHBondContact O-CB 3.38Å; Q145-D149 PolarHBondContact O-N 2.78Å; L146-D149 PolarHBondContact O-N 3.48Å; F147-D149 PolarHBondContact O-N 3.36Å; D149-L151 PolarHBondContact O-N 2.81Å; D149-N152 PolarHBondContact O-N 3.07Å; D149-H153 WeakPolarHBondContact O-CB 3.48Å; D149-H153 PolarHBondContact O-CD2 3.32Å; D149-H153 PolarHBondContact O-N 2.77Å; D149-R596 IonicContact OD1-CZ 3.92Å; D149-R596 IonicContact OD1-NH1 2.76Å; D149-R596 IonicContact OD1-NH2 3.05Å; D149-R596 PolarHBondContact OD1-NH2 3.02Å; D149-R596 IonicContact OD2-CZ 2.67Å; D149-R596 IonicContact OD2-NH1 3.85Å; D149-R596 PolarHBondContact OD2-NH1 3.12Å; D149-R596 IonicContact OD2-NH2 2.65Å; D149-R596 PolarHBondContact OD2-NH2 3.14Å
150	G	91.2	Very high	89.8	Confident	0 Å²	0	11.9 Å²	11.9	0%	0	6%	0.062	C	C	.	.	H	α-helix	trans	-58.7	-36.4	176.3	0	0	0	0	0	112.9	L146 F147 A154 F155 V156	L146-G150 PolarHBondContact O-N 3.01Å; F147-G150 PolarHBondContact O-N 3.24Å; G150-A154 PolarHBondContact O-N 2.96Å; G150-F155 PolarHBondContact O-N 3.45Å; G150-V156 PolarHBondContact O-N 2.85Å; G150-V156 VanDerWaalsContact O-N 3.15Å
151	L	92.8	Very high	90.5	Very high	4 Å²	4	11.9 Å²	11.9	2%	0.021	6%	0.062	C	C	.	.	H	α-helix	trans	-72	-49.2	173.8	-68.6	169.6	0	0	0	112.2	F147 D149 H153 A154 V156 M158 A181 H184	F147-L151 HydrophobicContact CD1-CD1 4.38Å; F147-L151 HydrophobicContact CD2-CD1 4.22Å; F147-L151 HydrophobicContact CD2-CG 4.33Å; F147-L151 HydrophobicContact CE1-CD1 3.97Å; F147-L151 HydrophobicContact CE2-CD1 3.78Å; F147-L151 HydrophobicContact CE2-CD2 4.3Å; F147-L151 HydrophobicContact CE2-CG 3.98Å; F147-L151 HydrophobicContact CZ-CD1 3.66Å; F147-L151 HydrophobicContact CZ-CG 4.34Å; F147-L151 WeakPolarHBondContact O-CG 3.47Å; F147-L151 PolarHBondContact O-N 2.8Å; F147-L151 VanDerWaalsContact O-N 3.12Å; D149-L151 PolarHBondContact O-N 2.81Å; L151-H153 VanDerWaalsContact C-N 3.32Å; L151-H153 PolarHBondContact O-N 2.8Å; L151-A154 PolarHBondContact O-N 3.11Å; L151-A154 VanDerWaalsContact O-N 3.12Å; L151-V156 HydrophobicContact CD2-CG2 4.25Å; L151-V156 HydrophobicContact CG-CG2 4.47Å; L151-M158 HydrophobicContact CD1-CE 3.67Å; L151-M158 HydrophobicContact CD2-CB 4.43Å; L151-M158 HydrophobicContact CD2-CE 4.4Å; L151-A181 HydrophobicContact CD1-CB 3.86Å; L151-H184 HydrophobicContact CD1-CB 4.2Å; L151-H184 HydrophobicContact CD2-CB 4.43Å; L151-H184 PolarHBondContact O-CE1 3.16Å
152	N	91	Very high	91.1	Very high	6 Å²	6	12.1 Å²	12.1	3%	0.032	6%	0.063	C	C	.	.	H	α-helix	trans	-63.7	-36.1	-179.2	-81.7	-21.9	0	0	0	112.6	S148 D149 A154 H184 A587 R588	S148-N152 WeakPolarHBondContact O-CB 3.22Å; S148-N152 PolarHBondContact O-N 2.91Å; S148-N152 PolarHBondContact O-ND2 3.41Å; D149-N152 PolarHBondContact O-N 3.07Å; N152-A154 VanDerWaalsContact C-N 3.26Å; N152-A154 PolarHBondContact O-N 3.23Å; N152-H184 PolarHBondContact OD1-NE2 3.48Å; N152-A587 CarbonylContact O-C 3.42Å; N152-A587 WeakPolarHBondContact O-CA 3.32Å; N152-R588 PolarHBondContact O-N 3.21Å
153	H	90.7	Very high	91.5	Very high	4 Å²	4	12.1 Å²	12.1	2%	0.019	6%	0.063	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.4	9.8	177.9	-63.9	-63.7	0	0	0	112.7	F123 D149 L151 F155 H676 L678	F123-H153 AromaticContact CD1-CD2 3.99Å; F123-H153 AromaticContact CE1-CD2 3.55Å; F123-H153 AromaticContact CE1-NE2 3.37Å; F123-H153 WeakPolarHBondContact CE1-NE2 3.03Å; F123-H153 AromaticContact CZ-CD2 3.97Å; F123-H153 AromaticContact CZ-NE2 3.33Å; F123-H153 VanDerWaalsContact CZ-NE2 3.33Å; F123-H153 WeakPolarHBondContact CZ-NE2 3.35Å; D149-H153 WeakPolarHBondContact O-CB 3.48Å; D149-H153 PolarHBondContact O-CD2 3.32Å; D149-H153 PolarHBondContact O-N 2.77Å; L151-H153 VanDerWaalsContact C-N 3.32Å; L151-H153 PolarHBondContact O-N 2.8Å; H153-F155 HydrophobicContact CB-CD1 4.23Å; H153-F155 HydrophobicContact CB-CD2 4.09Å; H153-F155 HydrophobicContact CB-CE1 3.94Å; H153-F155 HydrophobicContact CB-CE2 3.76Å; H153-F155 HydrophobicContact CB-CG 4.32Å; H153-F155 HydrophobicContact CB-CZ 3.72Å; H153-F155 WeakPolarHBondContact O-CD1 3.21Å; H153-F155 PolarHBondContact O-N 2.99Å; H153-F155 VanDerWaalsContact O-N 3.13Å; H153-H676 PolarHBondContact ND1-O 3.4Å; H153-H676 PolarHBondContact O-ND1 3.39Å; H153-L678 WeakPolarHBondContact CE1-CD2 3.44Å
154	A	90.7	Very high	92	Very high	4 Å²	4	11 Å²	11	3%	0.033	6%	0.057	C	C	.	.	T	Hydrogen-bonded Turn	trans	56.4	25.9	177.3	0	0	0	0	0	115	G150 L151 N152 V156 L577 R585 A587	G150-A154 PolarHBondContact O-N 2.96Å; L151-A154 PolarHBondContact O-N 3.11Å; L151-A154 VanDerWaalsContact O-N 3.12Å; N152-A154 VanDerWaalsContact C-N 3.26Å; N152-A154 PolarHBondContact O-N 3.23Å; A154-V156 VanDerWaalsContact C-N 3.35Å; A154-L577 HydrophobicContact CB-CD1 3.78Å; A154-R585 HydrophobicContact CB-CB 3.87Å; A154-A587 HydrophobicContact CB-CB 4.1Å
155	F	89.7	Confident	92.3	Very high	6 Å²	6	10.9 Å²	10.9	3%	0.026	6%	0.056	C	C	.	.	S	Bend	trans	-69.3	-39.5	170.8	-56.7	-29.7	0	0	0	110.7	Y124 K126 W129 G150 H153 R585 H676 L678	Y124-F155 WeakPolarHBondContact O-CE2 3.42Å; K126-F155 HydrophobicContact CB-CD1 3.73Å; K126-F155 HydrophobicContact CB-CE1 3.96Å; K126-F155 HydrophobicContact CB-CG 4.5Å; K126-F155 HydrophobicContact CG-CD1 4.39Å; W129-F155 HydrophobicContact CB-CB 4.09Å; W129-F155 AromaticContact CD1-CD2 3.57Å; W129-F155 HydrophobicContact CG-CB 3.93Å; W129-F155 HydrophobicContact CG-CD2 4.48Å; W129-F155 AromaticContact NE1-CD2 3.84Å; G150-F155 PolarHBondContact O-N 3.45Å; H153-F155 HydrophobicContact CB-CD1 4.23Å; H153-F155 HydrophobicContact CB-CD2 4.09Å; H153-F155 HydrophobicContact CB-CE1 3.94Å; H153-F155 HydrophobicContact CB-CE2 3.76Å; H153-F155 HydrophobicContact CB-CG 4.32Å; H153-F155 HydrophobicContact CB-CZ 3.72Å; H153-F155 WeakPolarHBondContact O-CD1 3.21Å; H153-F155 PolarHBondContact O-N 2.99Å; H153-F155 VanDerWaalsContact O-N 3.13Å; F155-R585 PolarHBondContact O-NH1 3.38Å; F155-H676 HydrophobicContact CD1-CB 4.48Å; F155-H676 AromaticContact CD1-ND1 3.61Å; F155-H676 HydrophobicContact CE1-CB 3.66Å; F155-H676 AromaticContact CE1-CG 3.52Å; F155-H676 AromaticContact CE1-ND1 3.62Å; F155-H676 HydrophobicContact CZ-CB 4.37Å; F155-L678 HydrophobicContact CE1-CD1 4.44Å; F155-L678 HydrophobicContact CE2-CD1 4.17Å; F155-L678 HydrophobicContact CZ-CD1 3.49Å; F155-L678 VanDerWaalsContact CZ-CD1 3.49Å
156	V	91.2	Very high	92.7	Very high	3 Å²	3	7.6 Å²	7.6	2%	0.018	4%	0.04	C	C	.	.	S	Bend	trans	-129.8	156.4	173.6	-66.9	0	0	0	0	110.3	W129 M133 G150 L151 A154 Q160 F161	W129-V156 HydrophobicContact CB-CG1 4.42Å; W129-V156 HydrophobicContact CD2-CG1 4.02Å; W129-V156 HydrophobicContact CE3-CG1 3.47Å; W129-V156 VanDerWaalsContact CE3-CG1 3.47Å; W129-V156 HydrophobicContact CE3-CG2 4.39Å; W129-V156 HydrophobicContact CG-CG1 4.45Å; W129-V156 HydrophobicContact CZ3-CG1 4.03Å; W129-V156 HydrophobicContact CZ3-CG2 4.32Å; M133-V156 HydrophobicContact CE-CG1 4.32Å; M133-V156 HydrophobicContact CG-CG1 4.02Å; M133-V156 HydrophobicContact SD-CG1 4.32Å; G150-V156 PolarHBondContact O-N 2.85Å; G150-V156 VanDerWaalsContact O-N 3.15Å; L151-V156 HydrophobicContact CD2-CG2 4.25Å; L151-V156 HydrophobicContact CG-CG2 4.47Å; A154-V156 VanDerWaalsContact C-N 3.35Å; V156-Q160 VanDerWaalsContact CA-OE1 3.31Å; V156-F161 HydrophobicContact CB-CE2 4.2Å; V156-F161 HydrophobicContact CB-CZ 4.19Å; V156-F161 HydrophobicContact CG1-CZ 4.48Å; V156-F161 HydrophobicContact CG2-CE2 4.2Å; V156-F161 HydrophobicContact CG2-CZ 4.21Å
157	A	92.1	Very high	92.9	Very high	17 Å²	17	7.1 Å²	7.1	14%	0.14	4%	0.038	C	C	.	.			trans	-116.8	148.1	174.9	0	0	0	0	0	110.5	E159 Q160 F161	A157-E159 HydrophobicContact CB-CG 4.08Å; A157-E159 PolarHBondContact O-N 3.21Å; A157-Q160 HydrophobicContact CB-CG 4.3Å; A157-Q160 WeakPolarHBondContact O-CB 3.46Å; A157-Q160 PolarHBondContact O-N 3Å; A157-Q160 VanDerWaalsContact O-N 3.08Å; A157-F161 WeakPolarHBondContact O-CD2 3.42Å
158	M	93.4	Very high	92.8	Very high	8 Å²	8	8.1 Å²	8.1	4%	0.039	4%	0.042	C	C	.	.	G	3₁₀ helix	trans	-58.8	-34.3	-177.4	-169.3	65.5	73.3	0	0	112.8	F147 L151 Q160 F161 V164 A181 H184 Y185 C188 P194	F147-M158 HydrophobicContact CZ-CE 4.16Å; F147-M158 HydrophobicContact CZ-SD 4.2Å; L151-M158 HydrophobicContact CD1-CE 3.67Å; L151-M158 HydrophobicContact CD2-CB 4.43Å; L151-M158 HydrophobicContact CD2-CE 4.4Å; M158-Q160 PolarHBondContact O-N 3.27Å; M158-F161 PolarHBondContact O-N 2.95Å; M158-F161 VanDerWaalsContact O-N 3.16Å; M158-V164 HydrophobicContact SD-CG2 3.97Å; M158-A181 WeakPolarHBondContact CE-O 3.31Å; M158-H184 HydrophobicContact CE-CB 4.04Å; M158-Y185 HydrophobicContact CG-CD2 4.3Å; M158-C188 HydrophobicContact CB-CB 4.26Å; M158-C188 HydrophobicContact CG-CB 4.45Å; M158-P194 HydrophobicContact CG-CG 3.86Å; M158-P194 HydrophobicContact SD-CG 3.82Å
159	E	92.7	Very high	92.9	Very high	54 Å²	54	8.1 Å²	8.1	25%	0.252	4%	0.042	S	C	.	.	G	3₁₀ helix	trans	-66.5	-19.4	179.6	57.4	-178.6	-175.8	0	0	114.3	K85 A157 F161 R192	K85-E159 VanDerWaalsContact CE-O 3.22Å; K85-E159 WeakPolarHBondContact CE-O 3.35Å; K85-E159 PolarHBondContact NZ-O 3.43Å; K85-E159 VanDerWaalsContact NZ-O 3.13Å; A157-E159 HydrophobicContact CB-CG 4.08Å; A157-E159 PolarHBondContact O-N 3.21Å; E159-F161 PolarHBondContact O-N 2.9Å; E159-R192 HydrophobicContact CB-CB 3.88Å; E159-R192 WeakPolarHBondContact OE2-CD 3.44Å; E159-R192 IonicContact OE2-CZ 2.79Å; E159-R192 IonicContact OE2-NE 3.93Å; E159-R192 IonicContact OE2-NH1 2.73Å; E159-R192 PolarHBondContact OE2-NH1 3.17Å
160	Q	92.1	Very high	92.9	Very high	27 Å²	27	8 Å²	8	13%	0.126	4%	0.042	C	C	.	.	G	3₁₀ helix	trans	-72.3	-12.3	175.8	-61.1	-179.5	-75.2	0	0	112.3	L80 K85 R86 M133 V156 A157 M158	L80-Q160 HydrophobicContact CD2-CB 4.46Å; L80-Q160 HydrophobicContact CD2-CG 4.35Å; K85-Q160 CarbonylContact C-O 3.55Å; K85-Q160 VanDerWaalsContact CA-O 3.28Å; K85-Q160 WeakPolarHBondContact CA-O 3.43Å; K85-Q160 WeakPolarHBondContact CB-O 3.4Å; R86-Q160 PolarHBondContact N-O 3.32Å; M133-Q160 HydrophobicContact CE-CB 3.8Å; V156-Q160 VanDerWaalsContact CA-OE1 3.31Å; A157-Q160 HydrophobicContact CB-CG 4.3Å; A157-Q160 WeakPolarHBondContact O-CB 3.46Å; A157-Q160 PolarHBondContact O-N 3Å; A157-Q160 VanDerWaalsContact O-N 3.08Å; M158-Q160 PolarHBondContact O-N 3.27Å
161	F	94.5	Very high	92.9	Very high	0 Å²	0	9.6 Å²	9.6	0%	0	5%	0.049	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	144	178	-56.2	-77.1	0	0	0	111.5	K85 R86 I88 M133 F147 V156 A157 M158 E159 V164 P194	K85-F161 PolarHBondContact NZ-O 3.49Å; R86-F161 HydrophobicContact CB-CD1 4.16Å; R86-F161 HydrophobicContact CB-CE1 4.35Å; R86-F161 CarbonylContact O-C 3.54Å; R86-F161 WeakPolarHBondContact O-CA 3.41Å; I88-F161 HydrophobicContact CB-CD1 3.78Å; I88-F161 HydrophobicContact CB-CE1 3.84Å; I88-F161 HydrophobicContact CD1-CD1 4.34Å; I88-F161 HydrophobicContact CD1-CE1 3.59Å; I88-F161 HydrophobicContact CD1-CZ 3.76Å; I88-F161 HydrophobicContact CG1-CE1 4.35Å; I88-F161 HydrophobicContact CG2-CD1 3.77Å; I88-F161 HydrophobicContact CG2-CE1 4.15Å; I88-F161 HydrophobicContact CG2-CG 4.08Å; M133-F161 HydrophobicContact CE-CE1 4.02Å; M133-F161 HydrophobicContact CE-CZ 4.06Å; M133-F161 HydrophobicContact SD-CE1 4.13Å; M133-F161 HydrophobicContact SD-CZ 4.32Å; F147-F161 HydrophobicContact CE2-CD2 4.36Å; F147-F161 AromaticContact CE2-CE2 3.8Å; F147-F161 HydrophobicContact CE2-CE2 3.8Å; F147-F161 HydrophobicContact CE2-CZ 4.09Å; F147-F161 HydrophobicContact CZ-CE2 4.47Å; V156-F161 HydrophobicContact CB-CE2 4.2Å; V156-F161 HydrophobicContact CB-CZ 4.19Å; V156-F161 HydrophobicContact CG1-CZ 4.48Å; V156-F161 HydrophobicContact CG2-CE2 4.2Å; V156-F161 HydrophobicContact CG2-CZ 4.21Å; A157-F161 WeakPolarHBondContact O-CD2 3.42Å; M158-F161 PolarHBondContact O-N 2.95Å; M158-F161 VanDerWaalsContact O-N 3.16Å; E159-F161 PolarHBondContact O-N 2.9Å; F161-V164 HydrophobicContact CB-CG2 4.22Å; F161-P194 HydrophobicContact CB-CB 4.2Å; F161-P194 WeakPolarHBondContact O-CB 3.37Å
162	N	95	Very high	92.8	Very high	5 Å²	5	9.4 Å²	9.4	3%	0.027	5%	0.048	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	-30.8	169.9	66.9	-19.5	0	0	0	112.3	L72 Q75 I76 K85 R86 S87 P194 R195	L72-N162 PolarHBondContact O-ND2 2.83Å; Q75-N162 HydrophobicContact CB-CB 4.35Å; I76-N162 VanDerWaalsContact CG1-ND2 3.35Å; I76-N162 WeakPolarHBondContact CG1-ND2 3.47Å; K85-N162 HydrophobicContact CB-CB 3.84Å; K85-N162 HydrophobicContact CD-CB 3.87Å; K85-N162 HydrophobicContact CG-CB 4.5Å; R86-N162 VanDerWaalsContact C-OD1 3.28Å; R86-N162 PolarHBondContact O-N 3.13Å; R86-N162 PolarHBondContact O-OD1 2.9Å; S87-N162 WeakPolarHBondContact CA-OD1 3.46Å; S87-N162 PolarHBondContact N-OD1 3.25Å; S87-N162 PolarHBondContact OG-OD1 3.36Å; N162-P194 CarbonylContact O-C 3.59Å; N162-P194 WeakPolarHBondContact O-CA 3.48Å; N162-R195 PolarHBondContact O-N 3.01Å
163	V	95.9	Very high	92.6	Very high	0 Å²	0	11.4 Å²	11.4	0%	0	6%	0.061	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	133.4	-178.5	-177.7	0	0	0	0	108.6	L68 L72 I88 V165 R195	L68-V163 HydrophobicContact CD2-CG1 3.79Å; L68-V163 HydrophobicContact CG-CG1 4.34Å; L68-V163 HydrophobicContact CG-CG2 4.44Å; L72-V163 HydrophobicContact CB-CG2 4.26Å; L72-V163 HydrophobicContact CD1-CG2 3.32Å; L72-V163 HydrophobicContact CG-CG2 4.41Å; I88-V163 PolarHBondContact N-O 3.22Å; V163-V165 HydrophobicContact CG1-CG2 3.82Å; V163-R195 CarbonylContact C-O 3.58Å; V163-R195 WeakPolarHBondContact CA-O 3.49Å; V163-R195 HydrophobicContact CG2-CB 4.37Å
164	V	97.3	Very high	92.1	Very high	0 Å²	0	13.9 Å²	13.9	0%	0	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	112.5	168.6	-179.4	0	0	0	0	107.6	I88 V90 F147 M158 F161 F166 P194 R195 I196 L197	I88-V164 HydrophobicContact CG2-CB 4.01Å; I88-V164 HydrophobicContact CG2-CG1 3.98Å; I88-V164 HydrophobicContact CG2-CG2 3.67Å; V90-V164 HydrophobicContact CG2-CG1 4.13Å; F147-V164 HydrophobicContact CE1-CG1 4Å; F147-V164 HydrophobicContact CZ-CG1 4.37Å; F147-V164 HydrophobicContact CZ-CG2 4.41Å; M158-V164 HydrophobicContact SD-CG2 3.97Å; F161-V164 HydrophobicContact CB-CG2 4.22Å; V164-F166 HydrophobicContact CB-CE2 4.5Å; V164-F166 HydrophobicContact CG1-CD2 4.12Å; V164-F166 HydrophobicContact CG1-CE1 4.02Å; V164-F166 HydrophobicContact CG1-CE2 3.55Å; V164-F166 HydrophobicContact CG1-CZ 3.5Å; V164-P194 HydrophobicContact CG2-CB 3.95Å; V164-P194 HydrophobicContact CG2-CG 3.71Å; V164-R195 PolarHBondContact N-O 3.28Å; V164-I196 HydrophobicContact CB-CD1 3.76Å; V164-I196 HydrophobicContact CG1-CD1 4.44Å; V164-I196 HydrophobicContact CG2-CD1 4.17Å; V164-L197 PolarHBondContact O-N 2.86Å
165	V	97.3	Very high	91.7	Very high	0 Å²	0	17.1 Å²	17.1	0%	0	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	123.6	174.3	-173.6	0	0	0	0	108.5	A65 I88 F89 V90 V163 L197 L199	A65-V165 HydrophobicContact CB-CG1 3.91Å; A65-V165 HydrophobicContact CB-CG2 4.11Å; I88-V165 PolarHBondContact O-N 3.5Å; F89-V165 HydrophobicContact CD2-CB 3.83Å; F89-V165 HydrophobicContact CD2-CG1 3.88Å; F89-V165 HydrophobicContact CD2-CG2 4.14Å; F89-V165 HydrophobicContact CE2-CB 4.17Å; F89-V165 HydrophobicContact CE2-CG1 3.67Å; F89-V165 HydrophobicContact CG-CB 4.17Å; F89-V165 HydrophobicContact CG-CG1 4.41Å; F89-V165 HydrophobicContact CZ-CG1 4.02Å; V90-V165 PolarHBondContact N-O 2.72Å; V163-V165 HydrophobicContact CG1-CG2 3.82Å; V165-L197 CarbonylContact C-O 3.52Å; V165-L197 WeakPolarHBondContact CA-O 3.42Å; V165-L197 HydrophobicContact CG1-CB 4.5Å; V165-L197 HydrophobicContact CG1-CD2 4.27Å; V165-L197 HydrophobicContact CG1-CG 4.49Å; V165-L197 HydrophobicContact CG2-CB 4.34Å; V165-L197 HydrophobicContact CG2-CD2 4.33Å; V165-L199 HydrophobicContact CG1-CD1 3.93Å; V165-L199 HydrophobicContact CG1-CG 4.24Å
166	F	96.6	Very high	91.6	Very high	0 Å²	0	18.8 Å²	18.8	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	110.1	171	-67.7	-70.7	0	0	0	109.4	V90 F147 V164 C169 Y178 A181 M182 I196 L197 L199 L224	V90-F166 HydrophobicContact CB-CD1 3.91Å; V90-F166 HydrophobicContact CB-CE1 4.22Å; V90-F166 HydrophobicContact CG1-CD1 4.32Å; V90-F166 HydrophobicContact CG1-CE1 4.4Å; V90-F166 HydrophobicContact CG2-CD1 4.18Å; V90-F166 HydrophobicContact CG2-CE1 4.09Å; F147-F166 HydrophobicContact CE1-CE1 4.42Å; F147-F166 HydrophobicContact CE1-CZ 4.41Å; V164-F166 HydrophobicContact CB-CE2 4.5Å; V164-F166 HydrophobicContact CG1-CD2 4.12Å; V164-F166 HydrophobicContact CG1-CE1 4.02Å; V164-F166 HydrophobicContact CG1-CE2 3.55Å; V164-F166 HydrophobicContact CG1-CZ 3.5Å; F166-C169 HydrophobicContact CB-CB 3.89Å; F166-C169 WeakPolarHBondContact O-CB 3.34Å; F166-Y178 HydrophobicContact CB-CD2 4.49Å; F166-Y178 HydrophobicContact CB-CE2 4.31Å; F166-Y178 AromaticContact CD1-CD1 3.54Å; F166-Y178 HydrophobicContact CD1-CD1 3.54Å; F166-Y178 HydrophobicContact CD1-CD2 4.13Å; F166-Y178 AromaticContact CD1-CE1 3.76Å; F166-Y178 HydrophobicContact CD1-CE1 3.76Å; F166-Y178 HydrophobicContact CD1-CE2 4.32Å; F166-Y178 AromaticContact CD1-CG 3.74Å; F166-Y178 HydrophobicContact CD1-CG 3.74Å; F166-Y178 AromaticContact CE1-CD1 3.79Å; F166-Y178 HydrophobicContact CE1-CD1 3.79Å; F166-Y178 HydrophobicContact CE1-CE1 4.33Å; F166-Y178 HydrophobicContact CE1-CG 4.09Å; F166-A181 HydrophobicContact CZ-CB 4.37Å; F166-M182 HydrophobicContact CE2-CG 4.23Å; F166-M182 HydrophobicContact CE2-SD 3.65Å; F166-M182 HydrophobicContact CZ-CG 4.29Å; F166-M182 HydrophobicContact CZ-SD 4.04Å; F166-I196 HydrophobicContact CD2-CG2 3.97Å; F166-I196 HydrophobicContact CE2-CD1 4.5Å; F166-I196 HydrophobicContact CE2-CG2 4.04Å; F166-L197 PolarHBondContact N-O 2.7Å; F166-L199 PolarHBondContact O-N 3.18Å; F166-L224 HydrophobicContact CD2-CD2 3.88Å; F166-L224 HydrophobicContact CE2-CD2 4.12Å; F166-L224 HydrophobicContact CG-CD2 4.44Å
167	D	93.4	Very high	91.5	Very high	6 Å²	6	19.4 Å²	19.4	3%	0.032	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	145.4	172	-161.1	20.4	0	0	0	110.7	F89 V90 V91 Q100 C169 Y178	F89-D167 HydrophobicContact CE1-CB 3.75Å; F89-D167 HydrophobicContact CZ-CB 4.34Å; V90-D167 PolarHBondContact O-N 2.89Å; V91-D167 HydrophobicContact CG1-CB 4Å; Q100-D167 PolarHBondContact NE2-OD2 3Å; D167-C169 PolarHBondContact O-N 3.34Å; D167-Y178 WeakPolarHBondContact O-CE2 3.37Å; D167-Y178 PolarHBondContact O-OH 2.72Å
168	E	90.5	Very high	91.6	Very high	22 Å²	22	18.6 Å²	18.6	10%	0.103	11%	0.109	C	C	.	.	T	Hydrogen-bonded Turn	trans	45	51.3	-169.9	-60.8	-58.8	161.2	0	0	112	H170 H171 L199	E168-H170 PolarHBondContact O-N 3.13Å; E168-H170 IonicContact OE2-CE1 2.63Å; E168-H170 PolarHBondContact OE2-CE1 2.81Å; E168-H170 IonicContact OE2-ND1 3Å; E168-H170 PolarHBondContact OE2-ND1 2.89Å; E168-H171 PolarHBondContact O-CD2 2.76Å; E168-H171 PolarHBondContact O-N 2.95Å; E168-L199 CarbonylContact C-O 3.51Å; E168-L199 VanDerWaalsContact CA-O 3.28Å; E168-L199 WeakPolarHBondContact CA-O 3.47Å; E168-L199 PolarHBondContact N-O 2.9Å
169	C	93.4	Very high	91.5	Very high	0 Å²	0	18.7 Å²	18.7	0%	0	11%	0.11	C	C	.	.	G	3₁₀ helix	trans	-62.7	-14.8	-168	72.1	0	0	0	0	114.6	F166 D167 H171 A172 L199 L224	F166-C169 HydrophobicContact CB-CB 3.89Å; F166-C169 WeakPolarHBondContact O-CB 3.34Å; D167-C169 PolarHBondContact O-N 3.34Å; C169-H171 PolarHBondContact O-N 3.07Å; C169-H171 VanDerWaalsContact O-N 3.07Å; C169-A172 VanDerWaalsContact O-CB 3.24Å; C169-A172 WeakPolarHBondContact O-CB 3.43Å; C169-A172 PolarHBondContact O-N 2.97Å; C169-L199 PolarHBondContact N-O 3.09Å; C169-L224 HydrophobicContact CB-CD1 3.68Å
170	H	90.4	Very high	91.3	Very high	1 Å²	1	16.6 Å²	16.6	1%	0.005	10%	0.101	C	C	.	.	G	3₁₀ helix	trans	-60.4	-15.3	175.2	67.5	-96.9	0	0	0	114	E168 A172 T200 S202 N205 L220 E483 R503	E168-H170 PolarHBondContact O-N 3.13Å; E168-H170 IonicContact OE2-CE1 2.63Å; E168-H170 PolarHBondContact OE2-CE1 2.81Å; E168-H170 IonicContact OE2-ND1 3Å; E168-H170 PolarHBondContact OE2-ND1 2.89Å; H170-A172 PolarHBondContact O-N 2.98Å; H170-T200 PolarHBondContact ND1-OG1 2.77Å; H170-S202 WeakPolarHBondContact CB-O 3.38Å; H170-N205 WeakPolarHBondContact O-CB 3.49Å; H170-L220 HydrophobicContact CB-CD2 4.45Å; H170-E483 IonicContact CE1-OE1 3.22Å; H170-E483 IonicContact NE2-OE1 3.3Å; H170-R503 PolarHBondContact NE2-NE 3.15Å; H170-R503 VanDerWaalsContact NE2-NE 3.15Å; H170-R503 PolarHBondContact NE2-NH1 3.37Å; H170-R503 PolarHBondContact NE2-NH2 2.89Å
171	H	89.9	Confident	91.3	Very high	34 Å²	34	15.3 Å²	15.3	16%	0.157	10%	0.095	C	C	.	.	G	3₁₀ helix	trans	-69.4	-15.8	171.1	-76.4	-81.8	0	0	0	114.1	N92 E168 C169 T173 H176 Y178 E483 R503	N92-H171 PolarHBondContact ND2-CD2 2.85Å; E168-H171 PolarHBondContact O-CD2 2.76Å; E168-H171 PolarHBondContact O-N 2.95Å; C169-H171 PolarHBondContact O-N 3.07Å; C169-H171 VanDerWaalsContact O-N 3.07Å; H171-T173 PolarHBondContact O-N 2.95Å; H171-T173 PolarHBondContact O-OG1 2.85Å; H171-H176 WeakPolarHBondContact O-CB 3.21Å; H171-Y178 HydrophobicContact CB-CD2 4.3Å; H171-Y178 HydrophobicContact CB-CE2 4.28Å; H171-E483 IonicContact NE2-OE2 3.36Å; H171-R503 PolarHBondContact CE1-NH2 2.62Å; H171-R503 PolarHBondContact NE2-NH2 3.38Å
172	A	90.9	Very high	91.2	Very high	0 Å²	0	15.4 Å²	15.4	0%	0	10%	0.095	C	C	.	.			trans	-68.3	68.5	179.6	0	0	0	0	0	112.4	C169 H170 Y178 L220 T223 L224	C169-A172 VanDerWaalsContact O-CB 3.24Å; C169-A172 WeakPolarHBondContact O-CB 3.43Å; C169-A172 PolarHBondContact O-N 2.97Å; H170-A172 PolarHBondContact O-N 2.98Å; A172-Y178 HydrophobicContact CB-CD2 4.15Å; A172-Y178 HydrophobicContact CB-CG 4.48Å; A172-L220 HydrophobicContact CB-CD1 3.99Å; A172-T223 HydrophobicContact CB-CG2 4.11Å; A172-L224 HydrophobicContact CB-CD1 4.39Å; A172-L224 HydrophobicContact CB-CD2 3.83Å; A172-L224 HydrophobicContact CB-CG 4.11Å
173	T	86.4	Confident	90.9	Very high	49 Å²	49	15.6 Å²	15.6	30%	0.301	10%	0.097	S	C	.	.	S	Bend	trans	-140.1	148.8	178.8	58.4	0	0	0	0	109.8	H171 N175 H176 C179 N205	H171-T173 PolarHBondContact O-N 2.95Å; H171-T173 PolarHBondContact O-OG1 2.85Å; T173-N175 PolarHBondContact O-N 2.67Å; T173-H176 WeakPolarHBondContact O-CB 3.46Å; T173-H176 PolarHBondContact O-N 3.25Å; T173-C179 PolarHBondContact N-SG 2.92Å; T173-N205 HydrophobicContact CG2-CB 4.37Å; T173-N205 PolarHBondContact OG1-ND2 2.9Å
174	G	81.9	Confident	90.7	Very high	56 Å²	56	16.9 Å²	16.9	58%	0.577	10%	0.102	S	C	*	.	T	Hydrogen-bonded Turn	trans	56.6	-128.1	-179.9	0	0	0	0	0	112.4	C179 T564	G174-C179 PolarHBondContact O-SG 3.42Å; G174-C179 VanDerWaalsContact O-SG 3.34Å; G174-T564 WeakPolarHBondContact O-CG2 3.4Å
175	N	80.8	Confident	90.5	Very high	71 Å²	71	17.5 Å²	17.5	38%	0.38	11%	0.105	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.5	21.9	-176.4	-56.5	-27.1	0	0	0	113.8	T173 T564 M566	T173-N175 PolarHBondContact O-N 2.67Å; N175-T564 WeakPolarHBondContact OD1-CB 3.4Å; N175-T564 WeakPolarHBondContact OD1-CG2 3.23Å; N175-T564 PolarHBondContact OD1-OG1 2.9Å; N175-T564 VanDerWaalsContact OD1-OG1 3.12Å; N175-M566 WeakPolarHBondContact ND2-CE 3.46Å
176	H	87.7	Confident	90	Very high	41 Å²	41	18.1 Å²	18.1	19%	0.19	11%	0.108	C	C	.	.			trans	-62.4	145.5	179.1	-167.6	-97.9	0	0	0	111	N92 H171 T173 Y178 C179 L180	N92-H176 PolarHBondContact OD1-CE1 2.9Å; N92-H176 PolarHBondContact OD1-NE2 2.89Å; H171-H176 WeakPolarHBondContact O-CB 3.21Å; T173-H176 WeakPolarHBondContact O-CB 3.46Å; T173-H176 PolarHBondContact O-N 3.25Å; H176-Y178 AromaticContact CE1-CD1 3.76Å; H176-Y178 AromaticContact CE1-CD2 3.69Å; H176-Y178 AromaticContact CE1-CE1 3.99Å; H176-Y178 AromaticContact CE1-CE2 3.95Å; H176-Y178 AromaticContact CE1-CG 3.61Å; H176-Y178 WeakPolarHBondContact ND1-CB 3.46Å; H176-Y178 AromaticContact ND1-CD1 3.8Å; H176-Y178 AromaticContact ND1-CD2 3.61Å; H176-Y178 AromaticContact ND1-CG 3.32Å; H176-Y178 VanDerWaalsContact ND1-CG 3.32Å; H176-Y178 PolarHBondContact ND1-N 2.9Å; H176-Y178 PolarHBondContact O-N 3.27Å; H176-C179 WeakPolarHBondContact O-CB 3.39Å; H176-C179 PolarHBondContact O-N 3.04Å; H176-L180 PolarHBondContact O-N 3.35Å
177	P	90.3	Very high	89.5	Confident	16 Å²	16	22.2 Å²	22.2	10%	0.104	12%	0.124	C	C	.	.	H	α-helix	trans	-54.1	-27.9	178.7	-31	37.9	0	0	0	115	A144 Q145 L180 A181	A144-P177 HydrophobicContact CB-CB 3.86Å; A144-P177 HydrophobicContact CB-CG 4.35Å; A144-P177 WeakPolarHBondContact O-CB 3.46Å; Q145-P177 HydrophobicContact CB-CG 4.42Å; Q145-P177 VanDerWaalsContact OE1-CG 3.28Å; P177-L180 PolarHBondContact O-N 3.04Å; P177-A181 WeakPolarHBondContact O-CB 3.48Å; P177-A181 PolarHBondContact O-N 3.34Å
178	Y	93.6	Very high	89.3	Confident	1 Å²	1	22.5 Å²	22.5	0%	0.004	13%	0.126	C	C	.	.	H	α-helix	trans	-61.6	-44.1	172.5	-65.2	-8	0	0	0	112.3	V90 N92 A144 F166 D167 H171 A172 H176 L180 A181 M182	V90-Y178 HydrophobicContact CB-CE1 4.25Å; V90-Y178 HydrophobicContact CG1-CD1 4.21Å; V90-Y178 HydrophobicContact CG1-CE1 3.59Å; V90-Y178 PolarHBondContact O-OH 2.79Å; N92-Y178 PolarHBondContact OD1-OH 2.73Å; N92-Y178 VanDerWaalsContact OD1-OH 3.11Å; A144-Y178 HydrophobicContact CB-CD1 3.73Å; A144-Y178 HydrophobicContact CB-CE1 3.31Å; F166-Y178 HydrophobicContact CB-CD2 4.49Å; F166-Y178 HydrophobicContact CB-CE2 4.31Å; F166-Y178 AromaticContact CD1-CD1 3.54Å; F166-Y178 HydrophobicContact CD1-CD1 3.54Å; F166-Y178 HydrophobicContact CD1-CD2 4.13Å; F166-Y178 AromaticContact CD1-CE1 3.76Å; F166-Y178 HydrophobicContact CD1-CE1 3.76Å; F166-Y178 HydrophobicContact CD1-CE2 4.32Å; F166-Y178 AromaticContact CD1-CG 3.74Å; F166-Y178 HydrophobicContact CD1-CG 3.74Å; F166-Y178 AromaticContact CE1-CD1 3.79Å; F166-Y178 HydrophobicContact CE1-CD1 3.79Å; F166-Y178 HydrophobicContact CE1-CE1 4.33Å; F166-Y178 HydrophobicContact CE1-CG 4.09Å; D167-Y178 WeakPolarHBondContact O-CE2 3.37Å; D167-Y178 PolarHBondContact O-OH 2.72Å; H171-Y178 HydrophobicContact CB-CD2 4.3Å; H171-Y178 HydrophobicContact CB-CE2 4.28Å; A172-Y178 HydrophobicContact CB-CD2 4.15Å; A172-Y178 HydrophobicContact CB-CG 4.48Å; H176-Y178 AromaticContact CE1-CD1 3.76Å; H176-Y178 AromaticContact CE1-CD2 3.69Å; H176-Y178 AromaticContact CE1-CE1 3.99Å; H176-Y178 AromaticContact CE1-CE2 3.95Å; H176-Y178 AromaticContact CE1-CG 3.61Å; H176-Y178 WeakPolarHBondContact ND1-CB 3.46Å; H176-Y178 AromaticContact ND1-CD1 3.8Å; H176-Y178 AromaticContact ND1-CD2 3.61Å; H176-Y178 AromaticContact ND1-CG 3.32Å; H176-Y178 VanDerWaalsContact ND1-CG 3.32Å; H176-Y178 PolarHBondContact ND1-N 2.9Å; H176-Y178 PolarHBondContact O-N 3.27Å; Y178-L180 VanDerWaalsContact C-N 3.33Å; Y178-L180 PolarHBondContact O-N 3.2Å; Y178-A181 PolarHBondContact O-N 3.39Å; Y178-M182 WeakPolarHBondContact O-CG 3.29Å; Y178-M182 PolarHBondContact O-N 3.22Å
179	C	90.4	Very high	89.2	Confident	9 Å²	9	24 Å²	24	6%	0.061	14%	0.138	C	C	.	.	H	α-helix	trans	-61.9	-45.2	175.6	-56	0	0	0	0	110.5	T173 G174 H176 A181 M182 N183	T173-C179 PolarHBondContact N-SG 2.92Å; G174-C179 PolarHBondContact O-SG 3.42Å; G174-C179 VanDerWaalsContact O-SG 3.34Å; H176-C179 WeakPolarHBondContact O-CB 3.39Å; H176-C179 PolarHBondContact O-N 3.04Å; C179-A181 VanDerWaalsContact C-N 3.33Å; C179-A181 PolarHBondContact O-N 2.75Å; C179-M182 PolarHBondContact O-N 3.08Å; C179-M182 VanDerWaalsContact O-N 3.12Å; C179-N183 PolarHBondContact O-N 3.02Å; C179-N183 PolarHBondContact O-OD1 3.28Å
180	L	88.7	Confident	89	Confident	11 Å²	11	27.3 Å²	27.3	6%	0.058	16%	0.16	C	C	.	.	H	α-helix	trans	-61	-42.5	179	-59.9	179.3	0	0	0	111.5	H176 P177 Y178 N183 H184 T564	H176-L180 PolarHBondContact O-N 3.35Å; P177-L180 PolarHBondContact O-N 3.04Å; Y178-L180 VanDerWaalsContact C-N 3.33Å; Y178-L180 PolarHBondContact O-N 3.2Å; L180-N183 WeakPolarHBondContact O-CB 3.44Å; L180-N183 PolarHBondContact O-N 3.09Å; L180-H184 PolarHBondContact O-CD2 3.29Å; L180-T564 HydrophobicContact CD2-CG2 4.04Å
181	A	92.5	Very high	89	Confident	0 Å²	0	33.4 Å²	33.4	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-62.9	-42.1	174	0	0	0	0	0	111.8	F147 L151 M158 F166 P177 Y178 C179 N183 H184 Y185	F147-A181 HydrophobicContact CD1-CB 3.84Å; F147-A181 HydrophobicContact CE1-CB 3.73Å; L151-A181 HydrophobicContact CD1-CB 3.86Å; M158-A181 WeakPolarHBondContact CE-O 3.31Å; F166-A181 HydrophobicContact CZ-CB 4.37Å; P177-A181 WeakPolarHBondContact O-CB 3.48Å; P177-A181 PolarHBondContact O-N 3.34Å; Y178-A181 PolarHBondContact O-N 3.39Å; C179-A181 VanDerWaalsContact C-N 3.33Å; C179-A181 PolarHBondContact O-N 2.75Å; A181-N183 PolarHBondContact O-N 3.29Å; A181-H184 WeakPolarHBondContact O-CB 3.34Å; A181-H184 PolarHBondContact O-N 3.34Å; A181-Y185 PolarHBondContact O-N 2.95Å
182	M	93	Very high	89	Confident	1 Å²	1	37.7 Å²	37.7	1%	0.005	21%	0.207	C	C	.	.	H	α-helix	trans	-66.8	-20.7	177.8	-72.5	-55.7	-60.4	0	0	113.9	F166 Y178 C179 H184 Y185 V186 I196 L224 C225	F166-M182 HydrophobicContact CE2-CG 4.23Å; F166-M182 HydrophobicContact CE2-SD 3.65Å; F166-M182 HydrophobicContact CZ-CG 4.29Å; F166-M182 HydrophobicContact CZ-SD 4.04Å; Y178-M182 WeakPolarHBondContact O-CG 3.29Å; Y178-M182 PolarHBondContact O-N 3.22Å; C179-M182 PolarHBondContact O-N 3.08Å; C179-M182 VanDerWaalsContact O-N 3.12Å; M182-H184 VanDerWaalsContact C-N 3.28Å; M182-H184 PolarHBondContact O-N 3.36Å; M182-Y185 HydrophobicContact CE-CD1 3.36Å; M182-Y185 HydrophobicContact CE-CD2 4.37Å; M182-Y185 HydrophobicContact CE-CE1 4.02Å; M182-Y185 HydrophobicContact CE-CG 3.57Å; M182-Y185 WeakPolarHBondContact O-CB 3.46Å; M182-Y185 PolarHBondContact O-N 3.06Å; M182-Y185 VanDerWaalsContact O-N 3.16Å; M182-Y185 HydrophobicContact SD-CG 4.22Å; M182-V186 WeakPolarHBondContact O-CG2 3.38Å; M182-V186 PolarHBondContact O-N 3.22Å; M182-I196 HydrophobicContact CE-CG1 4.28Å; M182-I196 HydrophobicContact SD-CD1 4.17Å; M182-I196 HydrophobicContact SD-CG1 4.4Å; M182-L224 WeakPolarHBondContact CE-O 3.35Å; M182-L224 HydrophobicContact CG-CD2 3.99Å; M182-C225 HydrophobicContact CE-CB 4.19Å
183	N	88.6	Confident	89.1	Confident	10 Å²	10	39.9 Å²	39.9	5%	0.053	22%	0.215	C	C	.	.	H	α-helix	trans	-66.3	-33.9	171.1	-67.8	-5.3	0	0	0	111.8	C179 L180 A181 R187 R562 D563	C179-N183 PolarHBondContact O-N 3.02Å; C179-N183 PolarHBondContact O-OD1 3.28Å; L180-N183 WeakPolarHBondContact O-CB 3.44Å; L180-N183 PolarHBondContact O-N 3.09Å; A181-N183 PolarHBondContact O-N 3.29Å; N183-R187 WeakPolarHBondContact O-CD 3.43Å; N183-R187 VanDerWaalsContact O-CG 3.22Å; N183-R187 WeakPolarHBondContact O-CG 3.45Å; N183-R187 PolarHBondContact O-N 2.8Å; N183-R187 PolarHBondContact O-NE 2.86Å; N183-R562 VanDerWaalsContact CG-O 3.23Å; N183-R562 PolarHBondContact ND2-O 3.45Å; N183-R562 PolarHBondContact OD1-O 3.06Å; N183-D563 WeakPolarHBondContact ND2-CA 3.37Å; N183-D563 PolarHBondContact ND2-OD1 3.28Å
184	H	90.7	Very high	89.6	Confident	26 Å²	26	37.6 Å²	37.6	12%	0.12	20%	0.201	C	C	.	.	H	α-helix	trans	-71.4	-31.8	171.3	-67.6	-84.2	0	0	0	112.1	L151 N152 M158 L180 A181 M182 R187 C188	L151-H184 HydrophobicContact CD1-CB 4.2Å; L151-H184 HydrophobicContact CD2-CB 4.43Å; L151-H184 PolarHBondContact O-CE1 3.16Å; N152-H184 PolarHBondContact OD1-NE2 3.48Å; M158-H184 HydrophobicContact CE-CB 4.04Å; L180-H184 PolarHBondContact O-CD2 3.29Å; A181-H184 WeakPolarHBondContact O-CB 3.34Å; A181-H184 PolarHBondContact O-N 3.34Å; M182-H184 VanDerWaalsContact C-N 3.28Å; M182-H184 PolarHBondContact O-N 3.36Å; H184-R187 PolarHBondContact O-N 3.42Å; H184-C188 WeakPolarHBondContact O-CB 3.34Å; H184-C188 PolarHBondContact O-N 2.9Å
185	Y	92.9	Very high	90.3	Very high	14 Å²	14	39.3 Å²	39.3	6%	0.055	19%	0.19	C	C	.	.	H	α-helix	trans	-62.9	-47	174.3	177.8	-91.5	0	0	0	112.6	N50 M158 A181 M182 R187 C188 R193 P194 I196 C225	N50-Y185 PolarHBondContact ND2-OH 3.45Å; M158-Y185 HydrophobicContact CG-CD2 4.3Å; A181-Y185 PolarHBondContact O-N 2.95Å; M182-Y185 HydrophobicContact CE-CD1 3.36Å; M182-Y185 HydrophobicContact CE-CD2 4.37Å; M182-Y185 HydrophobicContact CE-CE1 4.02Å; M182-Y185 HydrophobicContact CE-CG 3.57Å; M182-Y185 WeakPolarHBondContact O-CB 3.46Å; M182-Y185 PolarHBondContact O-N 3.06Å; M182-Y185 VanDerWaalsContact O-N 3.16Å; M182-Y185 HydrophobicContact SD-CG 4.22Å; Y185-R187 VanDerWaalsContact C-N 3.29Å; Y185-R187 PolarHBondContact O-N 3.47Å; Y185-C188 VanDerWaalsContact O-CB 3.29Å; Y185-C188 WeakPolarHBondContact O-CB 3.35Å; Y185-C188 PolarHBondContact O-N 3.45Å; Y185-C188 VanDerWaalsContact O-N 3.13Å; Y185-R193 HydrophobicContact CD2-CB 4.4Å; Y185-R193 HydrophobicContact CD2-CG 4.26Å; Y185-R193 HydrophobicContact CE2-CB 3.67Å; Y185-R193 HydrophobicContact CE2-CG 3.85Å; Y185-R193 PolarHBondContact O-NE 2.99Å; Y185-P194 HydrophobicContact CD2-CG 4.02Å; Y185-P194 HydrophobicContact CE2-CG 4.13Å; Y185-P194 WeakPolarHBondContact CE2-O 3.14Å; Y185-I196 HydrophobicContact CD2-CD1 3.69Å; Y185-I196 HydrophobicContact CD2-CG1 3.99Å; Y185-I196 HydrophobicContact CE2-CD1 3.69Å; Y185-I196 HydrophobicContact CE2-CG1 3.57Å; Y185-I196 HydrophobicContact CG-CD1 4.47Å; Y185-C225 HydrophobicContact CD1-CB 4.42Å; Y185-C225 HydrophobicContact CE1-CB 3.82Å
186	V	88.2	Confident	91.1	Very high	12 Å²	12	36 Å²	36	7%	0.073	17%	0.173	C	C	.	.	H	α-helix	trans	-64.8	-36.5	179.9	177.1	0	0	0	0	111.5	M182 C188 R193 M558	M182-V186 WeakPolarHBondContact O-CG2 3.38Å; M182-V186 PolarHBondContact O-N 3.22Å; V186-C188 VanDerWaalsContact C-N 3.27Å; V186-C188 PolarHBondContact O-N 3.13Å; V186-R193 PolarHBondContact O-NH2 3.04Å; V186-M558 WeakPolarHBondContact CG1-O 3.31Å
187	R	85.8	Confident	91.5	Very high	87 Å²	87	34.1 Å²	34.1	33%	0.328	16%	0.164	S	C	.	.	H	α-helix	trans	-74.9	-16.3	177.1	-63.2	168.8	-160.4	-127.8	12.9	113.1	N183 H184 Y185 D561 D563 R588	N183-R187 WeakPolarHBondContact O-CD 3.43Å; N183-R187 VanDerWaalsContact O-CG 3.22Å; N183-R187 WeakPolarHBondContact O-CG 3.45Å; N183-R187 PolarHBondContact O-N 2.8Å; N183-R187 PolarHBondContact O-NE 2.86Å; H184-R187 PolarHBondContact O-N 3.42Å; Y185-R187 VanDerWaalsContact C-N 3.29Å; Y185-R187 PolarHBondContact O-N 3.47Å; R187-D561 IonicContact CZ-OD1 3.96Å; R187-D561 VanDerWaalsContact CZ-OD1 3.24Å; R187-D561 IonicContact NE-OD1 2.67Å; R187-D561 IonicContact NH1-OD1 3.07Å; R187-D561 IonicContact NH2-OD1 3.82Å; R187-D561 PolarHBondContact NH2-OD1 3.2Å; R187-D563 IonicContact CZ-OD1 3.36Å; R187-D563 IonicContact NH2-OD1 2.69Å; R187-D563 PolarHBondContact NH2-OD1 3.17Å; R187-D563 IonicContact NH2-OD2 3.86Å; R187-D563 PolarHBondContact NH2-OD2 3.21Å; R187-R588 VanDerWaalsContact CZ-CZ 3.43Å
188	C	88.6	Confident	91.8	Very high	11 Å²	11	33.3 Å²	33.3	7%	0.074	16%	0.159	C	C	.	.	S	Bend	trans	-73.3	133.4	175.2	-176.2	0	0	0	0	109.9	M158 H184 Y185 V186 R193	M158-C188 HydrophobicContact CB-CB 4.26Å; M158-C188 HydrophobicContact CG-CB 4.45Å; H184-C188 WeakPolarHBondContact O-CB 3.34Å; H184-C188 PolarHBondContact O-N 2.9Å; Y185-C188 VanDerWaalsContact O-CB 3.29Å; Y185-C188 WeakPolarHBondContact O-CB 3.35Å; Y185-C188 PolarHBondContact O-N 3.45Å; Y185-C188 VanDerWaalsContact O-N 3.13Å; V186-C188 VanDerWaalsContact C-N 3.27Å; V186-C188 PolarHBondContact O-N 3.13Å; C188-R193 HydrophobicContact CB-CG 4.05Å; C188-R193 PolarHBondContact O-NE 2.72Å; C188-R193 PolarHBondContact O-NH2 3.45Å
189	P	89	Confident	91.8	Very high	55 Å²	55	33.3 Å²	33.3	36%	0.357	16%	0.158	S	C	.	.			trans	-53	136.9	176.5	-28.1	35.8	0	0	0	112.4	D191 R192 R193	P189-D191 VanDerWaalsContact C-N 3.25Å; P189-D191 WeakPolarHBondContact CB-OD1 3.29Å; P189-D191 PolarHBondContact O-N 3.4Å; P189-D191 VanDerWaalsContact O-N 3.14Å; P189-R192 HydrophobicContact CB-CG 4.44Å; P189-R192 PolarHBondContact O-N 3.14Å; P189-R193 WeakPolarHBondContact O-CG 3.5Å; P189-R193 PolarHBondContact O-N 3.35Å
190	P	88.6	Confident	91.8	Very high	69 Å²	69	32.9 Å²	32.9	45%	0.448	16%	0.156	S	C	.	.	G	3₁₀ helix	trans	-53.3	-36.9	-173.9	-27.9	34	0	0	0	115.2	R192 Y559	P190-R192 PolarHBondContact O-N 2.98Å; P190-Y559 HydrophobicContact CG-CE1 4.1Å; P190-Y559 WeakPolarHBondContact CG-OH 3.06Å
191	D	90.1	Very high	91.6	Very high	129 Å²	129	32.6 Å²	32.6	69%	0.69	16%	0.155	S	C	*	.	G	3₁₀ helix	trans	-68	-20.8	179.5	61.2	-57.4	0	0	0	113.5	P189	P189-D191 VanDerWaalsContact C-N 3.25Å; P189-D191 WeakPolarHBondContact CB-OD1 3.29Å; P189-D191 PolarHBondContact O-N 3.4Å; P189-D191 VanDerWaalsContact O-N 3.14Å
192	R	90.7	Very high	91.2	Very high	123 Å²	123	32.6 Å²	32.6	46%	0.464	16%	0.155	S	C	.	.	G	3₁₀ helix	trans	-107.6	-7.7	-175.6	-55.4	-170.4	-177.4	-178.4	-2.4	114.2	K85 E159 P189 P190	K85-R192 PolarHBondContact NZ-O 2.88Å; E159-R192 HydrophobicContact CB-CB 3.88Å; E159-R192 WeakPolarHBondContact OE2-CD 3.44Å; E159-R192 IonicContact OE2-CZ 2.79Å; E159-R192 IonicContact OE2-NE 3.93Å; E159-R192 IonicContact OE2-NH1 2.73Å; E159-R192 PolarHBondContact OE2-NH1 3.17Å; P189-R192 HydrophobicContact CB-CG 4.44Å; P189-R192 PolarHBondContact O-N 3.14Å; P190-R192 PolarHBondContact O-N 2.98Å
193	R	93.6	Very high	90.8	Very high	46 Å²	46	32.8 Å²	32.8	17%	0.174	16%	0.156	C	C	.	.	P	Polyproline II helix	trans	-60.1	139.6	-176.6	-78.2	175.3	-175.2	178.7	-1	112.2	Y185 V186 C188 P189	Y185-R193 HydrophobicContact CD2-CB 4.4Å; Y185-R193 HydrophobicContact CD2-CG 4.26Å; Y185-R193 HydrophobicContact CE2-CB 3.67Å; Y185-R193 HydrophobicContact CE2-CG 3.85Å; Y185-R193 PolarHBondContact O-NE 2.99Å; V186-R193 PolarHBondContact O-NH2 3.04Å; C188-R193 HydrophobicContact CB-CG 4.05Å; C188-R193 PolarHBondContact O-NE 2.72Å; C188-R193 PolarHBondContact O-NH2 3.45Å; P189-R193 WeakPolarHBondContact O-CG 3.5Å; P189-R193 PolarHBondContact O-N 3.35Å
194	P	95.8	Very high	90.7	Very high	1 Å²	1	32.6 Å²	32.6	1%	0.006	16%	0.155	C	C	.	.	P	Polyproline II helix	trans	-68.3	163.3	168.9	27	-32.3	0	0	0	111.5	M158 F161 N162 V164 Y185 I196	M158-P194 HydrophobicContact CG-CG 3.86Å; M158-P194 HydrophobicContact SD-CG 3.82Å; F161-P194 HydrophobicContact CB-CB 4.2Å; F161-P194 WeakPolarHBondContact O-CB 3.37Å; N162-P194 CarbonylContact O-C 3.59Å; N162-P194 WeakPolarHBondContact O-CA 3.48Å; V164-P194 HydrophobicContact CG2-CB 3.95Å; V164-P194 HydrophobicContact CG2-CG 3.71Å; Y185-P194 HydrophobicContact CD2-CG 4.02Å; Y185-P194 HydrophobicContact CE2-CG 4.13Å; Y185-P194 WeakPolarHBondContact CE2-O 3.14Å; P194-I196 HydrophobicContact CG-CD1 4.22Å
195	R	96.4	Very high	89.8	Confident	93 Å²	93	33.1 Å²	33.1	35%	0.351	16%	0.159	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.5	137.2	161.8	-68.3	-67	-179.6	-98.1	7.6	110.1	V47 E48 N50 L72 N162 V163 V164	V47-R195 PolarHBondContact O-NE 3.03Å; E48-R195 PolarHBondContact O-NH2 3.44Å; N50-R195 WeakPolarHBondContact OD1-CA 3.42Å; L72-R195 HydrophobicContact CD1-CG 4.26Å; N162-R195 PolarHBondContact O-N 3.01Å; V163-R195 CarbonylContact C-O 3.58Å; V163-R195 WeakPolarHBondContact CA-O 3.49Å; V163-R195 HydrophobicContact CG2-CB 4.37Å; V164-R195 PolarHBondContact N-O 3.28Å
196	I	97.3	Very high	88.6	Confident	2 Å²	2	39.4 Å²	39.4	1%	0.01	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	127	175.4	-53.4	-56.8	0	0	0	109.1	N50 L51 V164 F166 M182 Y185 P194 S226	N50-I196 VanDerWaalsContact CA-O 3.31Å; N50-I196 WeakPolarHBondContact CA-O 3.44Å; N50-I196 HydrophobicContact CB-CB 4.16Å; N50-I196 PolarHBondContact OD1-N 3.35Å; L51-I196 PolarHBondContact N-O 2.78Å; V164-I196 HydrophobicContact CB-CD1 3.76Å; V164-I196 HydrophobicContact CG1-CD1 4.44Å; V164-I196 HydrophobicContact CG2-CD1 4.17Å; F166-I196 HydrophobicContact CD2-CG2 3.97Å; F166-I196 HydrophobicContact CE2-CD1 4.5Å; F166-I196 HydrophobicContact CE2-CG2 4.04Å; M182-I196 HydrophobicContact CE-CG1 4.28Å; M182-I196 HydrophobicContact SD-CD1 4.17Å; M182-I196 HydrophobicContact SD-CG1 4.4Å; Y185-I196 HydrophobicContact CD2-CD1 3.69Å; Y185-I196 HydrophobicContact CD2-CG1 3.99Å; Y185-I196 HydrophobicContact CE2-CD1 3.69Å; Y185-I196 HydrophobicContact CE2-CG1 3.57Å; Y185-I196 HydrophobicContact CG-CD1 4.47Å; P194-I196 HydrophobicContact CG-CD1 4.22Å; I196-S226 WeakPolarHBondContact CG2-OG 3.44Å
197	L	97.3	Very high	87.1	Confident	0 Å²	0	41.1 Å²	41.1	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	110	172.6	-178.1	66.9	0	0	0	109.6	A46 L51 I53 A65 L68 V164 V165 F166 L199	A46-L197 HydrophobicContact CB-CD1 4.17Å; L51-L197 HydrophobicContact CB-CD1 4.14Å; L51-L197 CarbonylContact O-C 3.56Å; L51-L197 WeakPolarHBondContact O-CA 3.07Å; I53-L197 HydrophobicContact CD1-CD1 3.68Å; I53-L197 HydrophobicContact CG1-CD1 4.13Å; A65-L197 HydrophobicContact CB-CD2 3.9Å; L68-L197 HydrophobicContact CD2-CB 3.98Å; L68-L197 HydrophobicContact CD2-CD2 3.79Å; L68-L197 HydrophobicContact CD2-CG 4.36Å; V164-L197 PolarHBondContact O-N 2.86Å; V165-L197 CarbonylContact C-O 3.52Å; V165-L197 WeakPolarHBondContact CA-O 3.42Å; V165-L197 HydrophobicContact CG1-CB 4.5Å; V165-L197 HydrophobicContact CG1-CD2 4.27Å; V165-L197 HydrophobicContact CG1-CG 4.49Å; V165-L197 HydrophobicContact CG2-CB 4.34Å; V165-L197 HydrophobicContact CG2-CD2 4.33Å; F166-L197 PolarHBondContact N-O 2.7Å; L197-L199 HydrophobicContact CD1-CD2 4.35Å; L197-L199 HydrophobicContact CD2-CD2 4.14Å; L197-L199 HydrophobicContact CD2-CG 4.4Å; L197-L199 HydrophobicContact CG-CD2 4.08Å; L197-L199 HydrophobicContact CG-CG 4.31Å
198	G	96.1	Very high	85.5	Confident	0 Å²	0	40 Å²	40	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	123.9	171.1	0	0	0	0	0	111	L51 L52 I53	L51-G198 PolarHBondContact O-N 2.83Å; L52-G198 CarbonylContact C-O 3.6Å; L52-G198 WeakPolarHBondContact CA-O 3.39Å; I53-G198 PolarHBondContact N-O 2.83Å
199	L	94	Very high	83.9	Confident	0 Å²	0	43.1 Å²	43.1	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	130.6	174.2	-61.8	179.8	0	0	0	109.4	I53 K61 A65 F89 V165 F166 E168 C169 L197	I53-L199 HydrophobicContact CB-CD2 4.05Å; I53-L199 HydrophobicContact CD1-CD2 4.32Å; K61-L199 HydrophobicContact CB-CD1 4.28Å; K61-L199 HydrophobicContact CB-CD2 4.39Å; K61-L199 HydrophobicContact CD-CB 4.42Å; A65-L199 HydrophobicContact CB-CD1 3.93Å; F89-L199 HydrophobicContact CZ-CD1 4.49Å; V165-L199 HydrophobicContact CG1-CD1 3.93Å; V165-L199 HydrophobicContact CG1-CG 4.24Å; F166-L199 PolarHBondContact O-N 3.18Å; E168-L199 CarbonylContact C-O 3.51Å; E168-L199 VanDerWaalsContact CA-O 3.28Å; E168-L199 WeakPolarHBondContact CA-O 3.47Å; E168-L199 PolarHBondContact N-O 2.9Å; C169-L199 PolarHBondContact N-O 3.09Å; L197-L199 HydrophobicContact CD1-CD2 4.35Å; L197-L199 HydrophobicContact CD2-CD2 4.14Å; L197-L199 HydrophobicContact CD2-CG 4.4Å; L197-L199 HydrophobicContact CG-CD2 4.08Å; L197-L199 HydrophobicContact CG-CG 4.31Å
200	T	90.7	Very high	82.6	Confident	0 Å²	0	41.6 Å²	41.6	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.6	155.1	174.9	-173.6	0	0	0	0	112.2	L52 I53 P54 L55 H170 S202 V203	L52-T200 HydrophobicContact CD2-CG2 3.81Å; I53-T200 PolarHBondContact O-N 3.07Å; I53-T200 VanDerWaalsContact O-N 3.17Å; P54-T200 CarbonylContact C-O 3.55Å; P54-T200 VanDerWaalsContact CA-O 3.31Å; P54-T200 WeakPolarHBondContact CA-O 3.47Å; P54-T200 HydrophobicContact CB-CG2 4.42Å; L55-T200 PolarHBondContact N-O 2.82Å; H170-T200 PolarHBondContact ND1-OG1 2.77Å; T200-S202 WeakPolarHBondContact CG2-O 3.49Å; T200-S202 PolarHBondContact OG1-N 2.83Å; T200-S202 VanDerWaalsContact OG1-N 3.16Å; T200-S202 PolarHBondContact OG1-O 3.03Å; T200-V203 HydrophobicContact CG2-CG1 4.11Å
201	A	83.8	Confident	81.6	Confident	5 Å²	5	43.6 Å²	43.6	4%	0.041	23%	0.23	C	C	.	.	S	Bend	trans	-82.8	-28.1	166.2	0	0	0	0	0	113.5	L55 T57 I506 Q507	L55-A201 VanDerWaalsContact O-CA 3.29Å; L55-A201 WeakPolarHBondContact O-CA 3.48Å; T57-A201 HydrophobicContact CG2-CB 4.28Å; A201-I506 HydrophobicContact CB-CG2 4.4Å; A201-Q507 HydrophobicContact CB-CG 4.47Å
202	S	84.6	Confident	81.2	Confident	0 Å²	0	41.3 Å²	41.3	0%	0	22%	0.218	C	C	.	.			trans	-139.2	138.7	-179.8	-173.1	0	0	0	0	109.7	H170 T200 L204 F502	H170-S202 WeakPolarHBondContact CB-O 3.38Å; T200-S202 WeakPolarHBondContact CG2-O 3.49Å; T200-S202 PolarHBondContact OG1-N 2.83Å; T200-S202 VanDerWaalsContact OG1-N 3.16Å; T200-S202 PolarHBondContact OG1-O 3.03Å; S202-L204 VanDerWaalsContact C-N 3.32Å; S202-L204 PolarHBondContact OG-N 2.86Å; S202-F502 VanDerWaalsContact OG-CD1 3.31Å; S202-F502 WeakPolarHBondContact OG-CD1 3.29Å
203	V	84.9	Confident	80.9	Confident	5 Å²	5	35.5 Å²	35.5	3%	0.03	20%	0.196	C	C	.	.	S	Bend	trans	-85.6	-4.9	176.7	-75.9	0	0	0	0	113.1	L52 P54 T200 F217 L220 I228 L546	L52-V203 HydrophobicContact CD2-CG1 3.88Å; P54-V203 HydrophobicContact CB-CG1 3.94Å; T200-V203 HydrophobicContact CG2-CG1 4.11Å; V203-F217 HydrophobicContact CB-CD1 3.95Å; V203-F217 HydrophobicContact CB-CE1 4.15Å; V203-F217 HydrophobicContact CG2-CD1 3.38Å; V203-F217 HydrophobicContact CG2-CE1 3.13Å; V203-F217 HydrophobicContact CG2-CG 4.22Å; V203-F217 HydrophobicContact CG2-CZ 3.76Å; V203-L220 HydrophobicContact CB-CD2 4.23Å; V203-L220 HydrophobicContact CG1-CD2 4.3Å; V203-I228 HydrophobicContact CG1-CD1 4.22Å; V203-L546 HydrophobicContact CG1-CD1 4.31Å; V203-L546 HydrophobicContact CG2-CD1 3.67Å; V203-L546 HydrophobicContact CG2-CD2 4.02Å; V203-L546 HydrophobicContact CG2-CG 4.42Å
204	L	84.8	Confident	80.5	Confident	6 Å²	6	37.4 Å²	37.4	3%	0.031	21%	0.209	C	C	.	.			trans	-104.7	131.1	-179.7	-62.6	-179.2	0	0	0	111.5	S202 A213 E216 F217 F502 T542	S202-L204 VanDerWaalsContact C-N 3.32Å; S202-L204 PolarHBondContact OG-N 2.86Å; L204-A213 HydrophobicContact CD1-CB 4.42Å; L204-E216 HydrophobicContact CD2-CB 3.6Å; L204-E216 HydrophobicContact CD2-CG 4.28Å; L204-F217 HydrophobicContact CD1-CE1 4.44Å; L204-F217 HydrophobicContact CD2-CD1 3.98Å; L204-F217 HydrophobicContact CD2-CE1 3.62Å; L204-F217 HydrophobicContact CG-CE1 3.89Å; L204-F502 HydrophobicContact CD1-CB 4.28Å; L204-F502 HydrophobicContact CD1-CD1 4.05Å; L204-F502 HydrophobicContact CD1-CG 4.45Å; L204-F502 HydrophobicContact CG-CD1 4.49Å; L204-T542 HydrophobicContact CD1-CG2 3.52Å
205	N	72.4	Confident	80	Confident	38 Å²	38	40.9 Å²	40.9	20%	0.203	23%	0.231	C	C	.	.			trans	-91.9	-36.4	179.5	-162.4	8.6	0	0	0	113.3	H170 T173 R503	H170-N205 WeakPolarHBondContact O-CB 3.49Å; T173-N205 HydrophobicContact CG2-CB 4.37Å; T173-N205 PolarHBondContact OG1-ND2 2.9Å; N205-R503 PolarHBondContact OD1-NH1 2.79Å
206	K	67	Low	79.5	Confident	146 Å²	146	38.4 Å²	38.4	64%	0.635	22%	0.223	S	C	*	.	S	Bend	trans	-113.1	161.2	-174.4	-67.3	-176.4	179.9	178.4	0	112.1	N208	K206-N208 PolarHBondContact O-N 2.66Å
207	G	56.7	Low	79.1	Confident	48 Å²	48	38.3 Å²	38.3	50%	0.495	22%	0.223	S	C	.	.			trans	-67	34.7	177.1	0	0	0	0	0	114.8
208	N	53.8	Low	78.6	Confident	64 Å²	64	40.3 Å²	40.3	34%	0.342	24%	0.239	S	C	.	.			trans	-65.7	136	179.6	-66.4	-9.6	0	0	0	108.9	K206	K206-N208 PolarHBondContact O-N 2.66Å
209	S	54.6	Low	78.2	Confident	75 Å²	75	44.9 Å²	44.9	52%	0.524	26%	0.259	S	S	.	.			trans	-57	156.3	173.7	48.5	0	0	0	0	111.2	V211 N212	S209-V211 PolarHBondContact O-N 3.3Å; S209-N212 PolarHBondContact O-N 2.93Å
210	S	61.2	Low	78	Confident	23 Å²	23	45.1 Å²	45.1	16%	0.161	26%	0.261	C	S	.	.	G	3₁₀ helix	trans	-54.3	-15.8	-179.2	67.9	0	0	0	0	114	E541 K545	S210-E541 PolarHBondContact OG-OE2 3.39Å; S210-K545 PolarHBondContact O-NZ 3.12Å
211	V	68.5	Low	78	Confident	112 Å²	112	45.1 Å²	45.1	68%	0.679	26%	0.261	S	S	*	.	G	3₁₀ helix	trans	-62.2	-43.1	-178.4	-174	0	0	0	0	112.3	S209	S209-V211 PolarHBondContact O-N 3.3Å
212	N	80.1	Confident	78.2	Confident	80 Å²	80	49 Å²	49	43%	0.428	28%	0.278	S	S	.	.	G	3₁₀ helix	trans	-101.2	9.8	-173.2	-68	-10.7	0	0	0	114	S209 L214 T215 E216	S209-N212 PolarHBondContact O-N 2.93Å; N212-L214 PolarHBondContact O-N 3.49Å; N212-T215 PolarHBondContact O-N 2.93Å; N212-E216 WeakPolarHBondContact O-CG 3.37Å; N212-E216 PolarHBondContact O-N 3.31Å; N212-E216 VanDerWaalsContact O-N 3.13Å
213	A	84.3	Confident	78.5	Confident	1 Å²	1	50.7 Å²	50.7	1%	0.008	29%	0.288	C	S	.	.	H	α-helix	trans	-56.9	-47.5	-173.1	0	0	0	0	0	112.6	L204 T215 E216 F217 T542 K545	L204-A213 HydrophobicContact CD1-CB 4.42Å; A213-T215 VanDerWaalsContact C-N 3.32Å; A213-T215 PolarHBondContact O-N 3.41Å; A213-E216 PolarHBondContact O-N 3.46Å; A213-E216 VanDerWaalsContact O-N 3.14Å; A213-F217 HydrophobicContact CB-CE1 4.11Å; A213-F217 HydrophobicContact CB-CZ 3.95Å; A213-F217 WeakPolarHBondContact O-CD1 3.22Å; A213-F217 WeakPolarHBondContact O-CE1 3.36Å; A213-F217 VanDerWaalsContact O-CG 3.23Å; A213-F217 WeakPolarHBondContact O-CG 3.45Å; A213-F217 PolarHBondContact O-N 3.19Å; A213-T542 HydrophobicContact CB-CG2 4.22Å; A213-K545 HydrophobicContact CB-CD 4.49Å
214	L	86.1	Confident	78.8	Confident	86 Å²	86	50.5 Å²	50.5	45%	0.45	29%	0.287	S	S	.	.	H	α-helix	trans	-62.5	-38.6	-178.5	-61.9	177.2	0	0	0	112.5	N212 E216 F217 A218 K545 Y549	N212-L214 PolarHBondContact O-N 3.49Å; L214-E216 VanDerWaalsContact C-N 3.34Å; L214-F217 HydrophobicContact CD2-CD2 4.11Å; L214-F217 HydrophobicContact CD2-CE2 4.21Å; L214-F217 PolarHBondContact O-N 3.36Å; L214-A218 PolarHBondContact O-N 3.19Å; L214-K545 HydrophobicContact CD2-CB 4.33Å; L214-Y549 HydrophobicContact CD2-CD2 3.78Å; L214-Y549 HydrophobicContact CD2-CE2 4.17Å
215	T	85.4	Confident	79.2	Confident	75 Å²	75	50.8 Å²	50.8	46%	0.46	29%	0.289	S	S	.	.	H	α-helix	trans	-65.4	-39.8	176.5	-45.3	0	0	0	0	111.1	N212 A213 A218 K219	N212-T215 PolarHBondContact O-N 2.93Å; A213-T215 VanDerWaalsContact C-N 3.32Å; A213-T215 PolarHBondContact O-N 3.41Å; T215-A218 PolarHBondContact O-N 3.27Å; T215-K219 WeakPolarHBondContact O-CB 3.29Å; T215-K219 VanDerWaalsContact O-CG 3.28Å; T215-K219 WeakPolarHBondContact O-CG 3.48Å; T215-K219 PolarHBondContact O-N 2.8Å
216	E	85.8	Confident	80.1	Confident	40 Å²	40	49 Å²	49	19%	0.187	28%	0.28	C	S	.	.	H	α-helix	trans	-69.1	-34.9	176.3	-64.8	-61	121.3	0	0	112	L204 N212 A213 L214 K219 L220	L204-E216 HydrophobicContact CD2-CB 3.6Å; L204-E216 HydrophobicContact CD2-CG 4.28Å; N212-E216 WeakPolarHBondContact O-CG 3.37Å; N212-E216 PolarHBondContact O-N 3.31Å; N212-E216 VanDerWaalsContact O-N 3.13Å; A213-E216 PolarHBondContact O-N 3.46Å; A213-E216 VanDerWaalsContact O-N 3.14Å; L214-E216 VanDerWaalsContact C-N 3.34Å; E216-K219 PolarHBondContact O-N 2.82Å; E216-K219 WeakPolarHBondContact OE1-CD 3.39Å; E216-K219 IonicContact OE1-NZ 3.64Å; E216-K219 PolarHBondContact OE1-NZ 3.09Å; E216-L220 WeakPolarHBondContact O-CB 3.45Å; E216-L220 PolarHBondContact O-N 3.17Å
217	F	88.8	Confident	81.3	Confident	0 Å²	0	46.6 Å²	46.6	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-61.1	-51	173.3	-59.9	-5.3	0	0	0	110.3	V203 L204 A213 L214 K219 L220 E221 I228 T542 L546 Y549	V203-F217 HydrophobicContact CB-CD1 3.95Å; V203-F217 HydrophobicContact CB-CE1 4.15Å; V203-F217 HydrophobicContact CG2-CD1 3.38Å; V203-F217 HydrophobicContact CG2-CE1 3.13Å; V203-F217 HydrophobicContact CG2-CG 4.22Å; V203-F217 HydrophobicContact CG2-CZ 3.76Å; L204-F217 HydrophobicContact CD1-CE1 4.44Å; L204-F217 HydrophobicContact CD2-CD1 3.98Å; L204-F217 HydrophobicContact CD2-CE1 3.62Å; L204-F217 HydrophobicContact CG-CE1 3.89Å; A213-F217 HydrophobicContact CB-CE1 4.11Å; A213-F217 HydrophobicContact CB-CZ 3.95Å; A213-F217 WeakPolarHBondContact O-CD1 3.22Å; A213-F217 WeakPolarHBondContact O-CE1 3.36Å; A213-F217 VanDerWaalsContact O-CG 3.23Å; A213-F217 WeakPolarHBondContact O-CG 3.45Å; A213-F217 PolarHBondContact O-N 3.19Å; L214-F217 HydrophobicContact CD2-CD2 4.11Å; L214-F217 HydrophobicContact CD2-CE2 4.21Å; L214-F217 PolarHBondContact O-N 3.36Å; F217-K219 VanDerWaalsContact C-N 3.33Å; F217-K219 PolarHBondContact O-N 2.82Å; F217-L220 PolarHBondContact O-N 2.99Å; F217-L220 VanDerWaalsContact O-N 3.13Å; F217-E221 PolarHBondContact O-N 3.49Å; F217-I228 HydrophobicContact CB-CD1 3.77Å; F217-I228 HydrophobicContact CG-CD1 4.39Å; F217-T542 HydrophobicContact CZ-CG2 4.43Å; F217-L546 HydrophobicContact CD2-CD1 4.46Å; F217-L546 HydrophobicContact CE2-CB 4.14Å; F217-L546 HydrophobicContact CE2-CD1 4.1Å; F217-L546 HydrophobicContact CZ-CB 4.16Å; F217-L546 HydrophobicContact CZ-CD1 4.29Å; F217-Y549 HydrophobicContact CB-CE1 4.35Å; F217-Y549 HydrophobicContact CB-CE2 4.09Å; F217-Y549 AromaticContact CD2-CD2 3.76Å; F217-Y549 HydrophobicContact CD2-CD2 3.76Å; F217-Y549 HydrophobicContact CD2-CE2 4.09Å; F217-Y549 HydrophobicContact CD2-CG 4.01Å
218	A	87.5	Confident	82.9	Confident	42 Å²	42	44.5 Å²	44.5	35%	0.347	24%	0.244	S	C	.	.	H	α-helix	trans	-60.5	-40.5	177.8	0	0	0	0	0	112.2	L214 T215 L220 E221 Q222	L214-A218 PolarHBondContact O-N 3.19Å; T215-A218 PolarHBondContact O-N 3.27Å; A218-L220 VanDerWaalsContact C-N 3.33Å; A218-L220 PolarHBondContact O-N 3.41Å; A218-E221 PolarHBondContact O-N 3Å; A218-Q222 WeakPolarHBondContact O-CB 3.44Å; A218-Q222 PolarHBondContact O-N 2.76Å
219	K	87.1	Confident	84.6	Confident	97 Å²	97	42.2 Å²	42.2	42%	0.422	23%	0.231	S	C	.	.	H	α-helix	trans	-62	-39.7	175	-77.6	174.1	-175	170.9	0	112.5	T215 E216 F217 T223	T215-K219 WeakPolarHBondContact O-CB 3.29Å; T215-K219 VanDerWaalsContact O-CG 3.28Å; T215-K219 WeakPolarHBondContact O-CG 3.48Å; T215-K219 PolarHBondContact O-N 2.8Å; E216-K219 PolarHBondContact O-N 2.82Å; E216-K219 WeakPolarHBondContact OE1-CD 3.39Å; E216-K219 IonicContact OE1-NZ 3.64Å; E216-K219 PolarHBondContact OE1-NZ 3.09Å; F217-K219 VanDerWaalsContact C-N 3.33Å; F217-K219 PolarHBondContact O-N 2.82Å; K219-T223 WeakPolarHBondContact O-CB 3.26Å; K219-T223 PolarHBondContact O-N 3.35Å; K219-T223 PolarHBondContact O-OG1 3Å
220	L	89.6	Confident	85.6	Confident	5 Å²	5	38.7 Å²	38.7	3%	0.026	21%	0.207	C	C	.	.	H	α-helix	trans	-71	-44.1	179.5	-174.4	61.3	0	0	0	111.3	L52 H170 A172 V203 E216 F217 A218 Q222 T223 L224	L52-L220 HydrophobicContact CD1-CD2 3.61Å; L52-L220 HydrophobicContact CD1-CG 3.64Å; H170-L220 HydrophobicContact CB-CD2 4.45Å; A172-L220 HydrophobicContact CB-CD1 3.99Å; V203-L220 HydrophobicContact CB-CD2 4.23Å; V203-L220 HydrophobicContact CG1-CD2 4.3Å; E216-L220 WeakPolarHBondContact O-CB 3.45Å; E216-L220 PolarHBondContact O-N 3.17Å; F217-L220 PolarHBondContact O-N 2.99Å; F217-L220 VanDerWaalsContact O-N 3.13Å; A218-L220 VanDerWaalsContact C-N 3.33Å; A218-L220 PolarHBondContact O-N 3.41Å; L220-Q222 VanDerWaalsContact C-N 3.3Å; L220-Q222 PolarHBondContact O-N 3.39Å; L220-T223 PolarHBondContact O-N 3.32Å; L220-L224 HydrophobicContact CD1-CD1 3.96Å; L220-L224 HydrophobicContact CD1-CG 4.37Å; L220-L224 HydrophobicContact CG-CD1 4.31Å; L220-L224 PolarHBondContact O-N 3.43Å
221	E	90.8	Very high	85.8	Confident	0 Å²	0	40 Å²	40	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-54.2	-49	171.1	-78.4	-161.7	140.6	0	0	111.6	F217 A218 L224 C225 S226 R227 I228 Y549 S551 F555	F217-E221 PolarHBondContact O-N 3.49Å; A218-E221 PolarHBondContact O-N 3Å; E221-L224 PolarHBondContact O-N 3.4Å; E221-C225 WeakPolarHBondContact O-CA 3.44Å; E221-C225 PolarHBondContact O-N 3.42Å; E221-S226 VanDerWaalsContact CA-O 3.25Å; E221-S226 WeakPolarHBondContact CA-O 3.37Å; E221-S226 WeakPolarHBondContact CB-O 3.4Å; E221-S226 VanDerWaalsContact CG-O 3.32Å; E221-S226 WeakPolarHBondContact CG-O 3.36Å; E221-S226 PolarHBondContact O-N 2.89Å; E221-S226 VanDerWaalsContact O-N 3.09Å; E221-R227 WeakPolarHBondContact OE1-CA 3.47Å; E221-I228 HydrophobicContact CG-CB 4.29Å; E221-I228 HydrophobicContact CG-CD1 3.58Å; E221-I228 HydrophobicContact CG-CG1 3.57Å; E221-I228 WeakPolarHBondContact OE1-CB 3.39Å; E221-I228 PolarHBondContact OE1-N 3.31Å; E221-Y549 PolarHBondContact OE2-OH 3.03Å; E221-S551 VanDerWaalsContact CD-OG 3.25Å; E221-S551 WeakPolarHBondContact OE1-CB 3.29Å; E221-S551 PolarHBondContact OE1-OG 3.19Å; E221-S551 VanDerWaalsContact OE1-OG 3.1Å; E221-S551 WeakPolarHBondContact OE2-CB 3.46Å; E221-S551 PolarHBondContact OE2-OG 3.01Å; E221-F555 HydrophobicContact CB-CE1 4.11Å; E221-F555 HydrophobicContact CB-CZ 3.89Å; E221-F555 WeakPolarHBondContact O-CE1 3.13Å
222	Q	89	Confident	85.7	Confident	87 Å²	87	38.9 Å²	38.9	41%	0.407	21%	0.209	S	C	.	.	H	α-helix	trans	-55.1	-61	175.7	-168.6	-179.5	19.4	0	0	108.7	A218 L220 L224 C225 M558 R562	A218-Q222 WeakPolarHBondContact O-CB 3.44Å; A218-Q222 PolarHBondContact O-N 2.76Å; L220-Q222 VanDerWaalsContact C-N 3.3Å; L220-Q222 PolarHBondContact O-N 3.39Å; Q222-L224 VanDerWaalsContact C-N 3.29Å; Q222-L224 PolarHBondContact O-N 2.95Å; Q222-C225 PolarHBondContact O-N 3.37Å; Q222-M558 HydrophobicContact CG-CE 3.23Å; Q222-M558 HydrophobicContact CG-SD 4.28Å; Q222-M558 PolarHBondContact NE2-SD 2.99Å; Q222-R562 VanDerWaalsContact C-NH1 3.31Å; Q222-R562 VanDerWaalsContact O-CZ 3.32Å; Q222-R562 PolarHBondContact O-NH1 3.48Å; Q222-R562 PolarHBondContact O-NH2 3.21Å
223	T	89.3	Confident	85.1	Confident	35 Å²	35	38.4 Å²	38.4	22%	0.215	20%	0.202	C	C	.	.	H	α-helix	trans	-52.1	-44	-175.8	-58.1	0	0	0	0	113.1	A172 K219 L220 R562	A172-T223 HydrophobicContact CB-CG2 4.11Å; K219-T223 WeakPolarHBondContact O-CB 3.26Å; K219-T223 PolarHBondContact O-N 3.35Å; K219-T223 PolarHBondContact O-OG1 3Å; L220-T223 PolarHBondContact O-N 3.32Å; T223-R562 PolarHBondContact O-NH2 3.17Å; T223-R562 VanDerWaalsContact O-NH2 3.15Å
224	L	92.4	Very high	84.2	Confident	0 Å²	0	38.9 Å²	38.9	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-89.4	-0.9	-179	-66.2	175.4	0	0	0	114	L52 F166 C169 A172 M182 L220 E221 Q222 S226	L52-L224 HydrophobicContact CD1-CD1 4.05Å; F166-L224 HydrophobicContact CD2-CD2 3.88Å; F166-L224 HydrophobicContact CE2-CD2 4.12Å; F166-L224 HydrophobicContact CG-CD2 4.44Å; C169-L224 HydrophobicContact CB-CD1 3.68Å; A172-L224 HydrophobicContact CB-CD1 4.39Å; A172-L224 HydrophobicContact CB-CD2 3.83Å; A172-L224 HydrophobicContact CB-CG 4.11Å; M182-L224 WeakPolarHBondContact CE-O 3.35Å; M182-L224 HydrophobicContact CG-CD2 3.99Å; L220-L224 HydrophobicContact CD1-CD1 3.96Å; L220-L224 HydrophobicContact CD1-CG 4.37Å; L220-L224 HydrophobicContact CG-CD1 4.31Å; L220-L224 PolarHBondContact O-N 3.43Å; E221-L224 PolarHBondContact O-N 3.4Å; Q222-L224 VanDerWaalsContact C-N 3.29Å; Q222-L224 PolarHBondContact O-N 2.95Å; L224-S226 PolarHBondContact O-N 2.7Å; L224-S226 PolarHBondContact O-OG 3.12Å
225	C	91.8	Very high	83.2	Confident	13 Å²	13	40 Å²	40	9%	0.088	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	46	46	-172.4	-76.9	0	0	0	0	111.8	N50 M182 Y185 E221 Q222 R562	N50-C225 WeakPolarHBondContact CB-O 3.44Å; N50-C225 PolarHBondContact ND2-O 3.25Å; M182-C225 HydrophobicContact CE-CB 4.19Å; Y185-C225 HydrophobicContact CD1-CB 4.42Å; Y185-C225 HydrophobicContact CE1-CB 3.82Å; E221-C225 WeakPolarHBondContact O-CA 3.44Å; E221-C225 PolarHBondContact O-N 3.42Å; Q222-C225 PolarHBondContact O-N 3.37Å; C225-R562 PolarHBondContact SG-NH2 3.49Å
226	S	92.5	Very high	82.1	Confident	0 Å²	0	38 Å²	38	0%	0	20%	0.201	C	C	.	.			trans	-138.6	141.2	-170.2	-63.8	0	0	0	0	109.8	I196 E221 L224	I196-S226 WeakPolarHBondContact CG2-OG 3.44Å; E221-S226 VanDerWaalsContact CA-O 3.25Å; E221-S226 WeakPolarHBondContact CA-O 3.37Å; E221-S226 WeakPolarHBondContact CB-O 3.4Å; E221-S226 VanDerWaalsContact CG-O 3.32Å; E221-S226 WeakPolarHBondContact CG-O 3.36Å; E221-S226 PolarHBondContact O-N 2.89Å; E221-S226 VanDerWaalsContact O-N 3.09Å; L224-S226 PolarHBondContact O-N 2.7Å; L224-S226 PolarHBondContact O-OG 3.12Å
227	R	91.7	Very high	81	Confident	95 Å²	95	36.2 Å²	36.2	36%	0.358	19%	0.192	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	132.2	176.9	-174.7	173.7	179.9	171.7	6	110.9	N50 L51 L52 E221 E229 F555	N50-R227 PolarHBondContact O-N 3.25Å; N50-R227 VanDerWaalsContact O-N 3.1Å; L51-R227 CarbonylContact C-O 3.51Å; L51-R227 WeakPolarHBondContact CA-O 3.46Å; L52-R227 PolarHBondContact N-O 2.94Å; E221-R227 WeakPolarHBondContact OE1-CA 3.47Å; R227-E229 PolarHBondContact O-N 2.92Å; R227-F555 HydrophobicContact CB-CE2 4.39Å
228	I	91.2	Very high	79.8	Confident	4 Å²	4	37.2 Å²	37.2	2%	0.021	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.9	122.3	171.5	-70.5	166.2	0	0	0	108.8	L52 P54 V203 F217 E221 A230 L546 Y549	L52-I228 HydrophobicContact CB-CG1 4.03Å; L52-I228 HydrophobicContact CD1-CG1 4.01Å; L52-I228 HydrophobicContact CD2-CG1 4.13Å; L52-I228 HydrophobicContact CG-CG1 4.26Å; L52-I228 WeakPolarHBondContact O-CA 3.34Å; P54-I228 HydrophobicContact CG-CG2 4Å; V203-I228 HydrophobicContact CG1-CD1 4.22Å; F217-I228 HydrophobicContact CB-CD1 3.77Å; F217-I228 HydrophobicContact CG-CD1 4.39Å; E221-I228 HydrophobicContact CG-CB 4.29Å; E221-I228 HydrophobicContact CG-CD1 3.58Å; E221-I228 HydrophobicContact CG-CG1 3.57Å; E221-I228 WeakPolarHBondContact OE1-CB 3.39Å; E221-I228 PolarHBondContact OE1-N 3.31Å; I228-A230 HydrophobicContact CG2-CB 4.14Å; I228-L546 HydrophobicContact CG2-CD1 4.17Å; I228-Y549 HydrophobicContact CB-CD1 3.95Å; I228-Y549 HydrophobicContact CB-CE1 4.07Å; I228-Y549 HydrophobicContact CD1-CD1 4.2Å; I228-Y549 HydrophobicContact CD1-CE1 3.92Å; I228-Y549 HydrophobicContact CG2-CD1 3.98Å
229	E	88.3	Confident	78.7	Confident	17 Å²	17	39.5 Å²	39.5	8%	0.079	22%	0.218	C	C	.	.			trans	-109.7	88.4	176.3	-170.2	68.2	-167	0	0	109.9	L42 K45 L51 L52 R227	L42-E229 HydrophobicContact CD2-CB 4.24Å; L42-E229 HydrophobicContact CD2-CG 3.58Å; K45-E229 HydrophobicContact CD-CG 4.43Å; K45-E229 VanDerWaalsContact CE-OE2 3.32Å; K45-E229 WeakPolarHBondContact CE-OE2 3.32Å; K45-E229 IonicContact NZ-OE1 3.91Å; K45-E229 PolarHBondContact NZ-OE1 3.41Å; K45-E229 IonicContact NZ-OE2 3Å; K45-E229 PolarHBondContact NZ-OE2 2.93Å; L51-E229 HydrophobicContact CD2-CB 4.11Å; L52-E229 PolarHBondContact O-N 3.2Å; R227-E229 PolarHBondContact O-N 2.92Å
230	A	76.2	Confident	77.6	Confident	1 Å²	1	41.7 Å²	41.7	1%	0.008	23%	0.225	C	C	.	.			trans	-109.1	-35.4	-179.1	0	0	0	0	0	113.7	P54 I228 T232 F234 L546	P54-A230 HydrophobicContact CG-CB 4.08Å; I228-A230 HydrophobicContact CG2-CB 4.14Å; A230-T232 PolarHBondContact O-N 3.34Å; A230-F234 WeakPolarHBondContact O-CB 3.39Å; A230-F234 PolarHBondContact O-N 3.39Å; A230-F234 VanDerWaalsContact O-N 3.16Å; A230-L546 HydrophobicContact CB-CD1 4.29Å; A230-L546 HydrophobicContact CB-CG 4.35Å; A230-L546 WeakPolarHBondContact CB-O 3.41Å
231	S	64.9	Low	76.3	Confident	51 Å²	51	42.2 Å²	42.2	36%	0.357	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.5	-50.6	-155.2	54.8	0	0	0	0	116.8	A547	S231-A547 WeakPolarHBondContact CA-O 3.14Å
232	T	67.8	Low	75	Confident	87 Å²	87	44.1 Å²	44.1	53%	0.534	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94	-40.3	-174.5	45	0	0	0	0	113.1	A230	A230-T232 PolarHBondContact O-N 3.34Å
233	W	67.6	Low	74.2	Confident	71 Å²	71	45.4 Å²	45.4	27%	0.269	25%	0.25	S	S	.	.	H	α-helix	trans	-90.7	-20.8	-170.1	-59.7	114.4	0	0	0	114.4	Y38 S41 L42 A236 A237	Y38-W233 VanDerWaalsContact CA-CE3 3.5Å; Y38-W233 HydrophobicContact CG-CE3 4.47Å; S41-W233 WeakPolarHBondContact OG-CZ2 3.43Å; L42-W233 HydrophobicContact CD1-CB 4.2Å; L42-W233 HydrophobicContact CD2-CB 4.45Å; L42-W233 HydrophobicContact CD2-CG 4.29Å; L42-W233 HydrophobicContact CG-CB 4.4Å; L42-W233 HydrophobicContact CG-CG 4.23Å; W233-A236 HydrophobicContact CE3-CB 4.26Å; W233-A236 PolarHBondContact O-N 2.85Å; W233-A237 VanDerWaalsContact O-CB 3.25Å; W233-A237 WeakPolarHBondContact O-CB 3.19Å; W233-A237 PolarHBondContact O-N 3.49Å
234	F	63.5	Low	73.7	Confident	10 Å²	10	44 Å²	44	4%	0.044	24%	0.242	C	C	.	.	H	α-helix	trans	-60.7	-49.2	176.5	-179.6	-104.5	0	0	0	111.1	P54 A230 A236 A237 C238 E543 A547	P54-F234 VanDerWaalsContact O-CD2 3.24Å; P54-F234 WeakPolarHBondContact O-CD2 3.21Å; A230-F234 WeakPolarHBondContact O-CB 3.39Å; A230-F234 PolarHBondContact O-N 3.39Å; A230-F234 VanDerWaalsContact O-N 3.16Å; F234-A236 PolarHBondContact O-N 2.72Å; F234-A237 PolarHBondContact O-N 3.41Å; F234-C238 WeakPolarHBondContact O-CB 3.39Å; F234-C238 PolarHBondContact O-N 3.21Å; F234-C238 PolarHBondContact O-SG 3.01Å; F234-E543 HydrophobicContact CE1-CG 4.05Å; F234-E543 HydrophobicContact CZ-CG 4.04Å; F234-A547 HydrophobicContact CD1-CB 4.17Å; F234-A547 HydrophobicContact CE1-CB 4.49Å
235	L	65.3	Low	73.4	Confident	111 Å²	111	51.1 Å²	51.1	58%	0.581	27%	0.273	S	S	*	.	H	α-helix	trans	-63.2	-43.8	178.7	-66.1	173.1	0	0	0	111.6	A237 C238 A239	L235-A237 VanDerWaalsContact C-N 3.35Å; L235-A237 PolarHBondContact O-N 3.42Å; L235-C238 WeakPolarHBondContact O-CB 3.44Å; L235-C238 PolarHBondContact O-N 3.29Å; L235-A239 PolarHBondContact O-N 2.96Å
236	A	62.6	Low	73.2	Confident	33 Å²	33	53 Å²	53	27%	0.273	28%	0.284	S	S	.	.	H	α-helix	trans	-60.6	-43.7	175.9	0	0	0	0	0	111.7	W233 F234 C238 A239 Y240	W233-A236 HydrophobicContact CE3-CB 4.26Å; W233-A236 PolarHBondContact O-N 2.85Å; F234-A236 PolarHBondContact O-N 2.72Å; A236-C238 VanDerWaalsContact C-N 3.33Å; A236-C238 PolarHBondContact O-N 3.48Å; A236-A239 WeakPolarHBondContact O-CB 3.23Å; A236-A239 PolarHBondContact O-N 2.78Å; A236-Y240 WeakPolarHBondContact O-CD2 3.41Å
237	A	62.3	Low	73.1	Confident	1 Å²	1	57 Å²	57	1%	0.008	30%	0.299	C	S	.	.	H	α-helix	trans	-67.7	-32.8	177.2	0	0	0	0	0	112.8	Y38 L55 W233 F234 L235 A239 Y240	Y38-A237 HydrophobicContact CD2-CB 4.44Å; Y38-A237 HydrophobicContact CE1-CB 4.28Å; Y38-A237 HydrophobicContact CE2-CB 4.1Å; L55-A237 HydrophobicContact CD2-CB 3.51Å; W233-A237 VanDerWaalsContact O-CB 3.25Å; W233-A237 WeakPolarHBondContact O-CB 3.19Å; W233-A237 PolarHBondContact O-N 3.49Å; F234-A237 PolarHBondContact O-N 3.41Å; L235-A237 VanDerWaalsContact C-N 3.35Å; L235-A237 PolarHBondContact O-N 3.42Å; A237-A239 VanDerWaalsContact C-N 3.35Å; A237-Y240 PolarHBondContact O-N 2.9Å
238	C	64.2	Low	73	Confident	22 Å²	22	54.4 Å²	54.4	15%	0.149	29%	0.294	C	S	.	.	H	α-helix	trans	-64.9	-37.4	173.7	-74.4	0	0	0	0	111.8	F234 L235 A236 Y240 S241	F234-C238 WeakPolarHBondContact O-CB 3.39Å; F234-C238 PolarHBondContact O-N 3.21Å; F234-C238 PolarHBondContact O-SG 3.01Å; L235-C238 WeakPolarHBondContact O-CB 3.44Å; L235-C238 PolarHBondContact O-N 3.29Å; A236-C238 VanDerWaalsContact C-N 3.33Å; A236-C238 PolarHBondContact O-N 3.48Å; C238-Y240 PolarHBondContact O-N 3.34Å; C238-S241 PolarHBondContact O-N 2.93Å
239	A	64.2	Low	73	Confident	89 Å²	89	55.6 Å²	55.6	74%	0.736	30%	0.3	S	S	*	.	H	α-helix	trans	-61.2	-27.3	176.6	0	0	0	0	0	113.4	L235 A236 A237	L235-A239 PolarHBondContact O-N 2.96Å; A236-A239 WeakPolarHBondContact O-CB 3.23Å; A236-A239 PolarHBondContact O-N 2.78Å; A237-A239 VanDerWaalsContact C-N 3.35Å
240	Y	63.6	Low	73	Confident	144 Å²	144	56.7 Å²	56.7	57%	0.565	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.4	-6.3	176.2	-68.9	-74.1	0	0	0	114.3	Y38 A236 A237 C238	Y38-Y240 HydrophobicContact CD1-CD2 4.44Å; Y38-Y240 HydrophobicContact CD1-CE2 4.38Å; Y38-Y240 HydrophobicContact CE1-CD2 4.01Å; Y38-Y240 HydrophobicContact CE1-CE2 4.34Å; A236-Y240 WeakPolarHBondContact O-CD2 3.41Å; A237-Y240 PolarHBondContact O-N 2.9Å; C238-Y240 PolarHBondContact O-N 3.34Å
241	S	62.9	Low	73.4	Confident	15 Å²	15	57 Å²	57	11%	0.105	31%	0.312	C	S	.	.	S	Bend	trans	-106.5	122	178	-171.5	0	0	0	0	108.9	C238 E243	C238-S241 PolarHBondContact O-N 2.93Å; S241-E243 PolarHBondContact O-N 2.78Å; S241-E243 VanDerWaalsContact O-N 3.09Å
242	A	64.1	Low	73.7	Confident	41 Å²	41	59.7 Å²	59.7	34%	0.339	32%	0.318	S	S	.	.	P	Polyproline II helix	trans	-56.9	120.1	171.8	0	0	0	0	0	108.9
243	E	70.7	Confident	73.6	Confident	113 Å²	113	59.2 Å²	59.2	53%	0.528	31%	0.312	S	S	.	.	P	Polyproline II helix	trans	-87.7	118.8	178.8	-175.8	154	-148.9	0	0	109.7	R56 S241 K509	R56-E243 IonicContact CZ-OE1 3.68Å; R56-E243 IonicContact NH1-OE1 2.66Å; R56-E243 IonicContact NH1-OE2 2.9Å; R56-E243 IonicContact NH2-OE1 3.63Å; R56-E243 PolarHBondContact NH2-OE1 3.44Å; S241-E243 PolarHBondContact O-N 2.78Å; S241-E243 VanDerWaalsContact O-N 3.09Å; E243-K509 IonicContact OE1-NZ 2.93Å; E243-K509 PolarHBondContact OE1-NZ 3.47Å
244	A	80.5	Confident	72.7	Confident	5 Å²	5	63.2 Å²	63.2	4%	0.041	33%	0.332	C	S	.	.	P	Polyproline II helix	trans	-67.1	139.1	179.6	0	0	0	0	0	111.7	V246 K509 A513 S518	A244-V246 PolarHBondContact O-N 2.87Å; A244-K509 HydrophobicContact CB-CG 4.44Å; A244-A513 HydrophobicContact CB-CB 3.55Å; A244-S518 CarbonylContact C-O 3.53Å; A244-S518 VanDerWaalsContact CA-O 3.23Å; A244-S518 WeakPolarHBondContact CA-O 3.24Å
245	K	85.3	Confident	72.1	Confident	150 Å²	150	67.4 Å²	67.4	65%	0.652	36%	0.358	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-68.9	121.2	172.9	-175	178.2	-179.6	179.3	0	109.2	S518 E519 Y520	K245-S518 PolarHBondContact N-O 3.06Å; K245-E519 WeakPolarHBondContact O-CA 2.9Å; K245-Y520 PolarHBondContact O-N 3.35Å
246	V	87.7	Confident	71.5	Confident	52 Å²	52	68 Å²	68	32%	0.315	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	127.2	177.7	-178.7	0	0	0	0	109.5	A244 K509 Y520 L536	A244-V246 PolarHBondContact O-N 2.87Å; V246-K509 HydrophobicContact CG2-CD 4.01Å; V246-Y520 CarbonylContact C-O 3.53Å; V246-Y520 WeakPolarHBondContact CA-O 3.29Å; V246-Y520 HydrophobicContact CG1-CD1 4.34Å; V246-Y520 HydrophobicContact CG2-CD1 4.35Å; V246-L536 HydrophobicContact CG1-CD1 4.24Å
247	R	90.1	Very high	71.5	Confident	84 Å²	84	68.2 Å²	68.2	32%	0.317	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	128.6	176	-176.6	-179.8	-179.6	-170.4	-0.7	109.3	E384 Y520 V521 I522	R247-E384 IonicContact NH1-OE2 3.32Å; R247-E384 PolarHBondContact NH1-OE2 3.45Å; R247-E384 VanDerWaalsContact NH1-OE2 3.11Å; R247-Y520 PolarHBondContact N-O 3.16Å; R247-V521 HydrophobicContact CB-CG2 4.38Å; R247-V521 CarbonylContact O-C 3.59Å; R247-V521 VanDerWaalsContact O-CA 3.3Å; R247-V521 WeakPolarHBondContact O-CA 3.44Å; R247-I522 PolarHBondContact O-N 2.99Å
248	V	90.3	Very high	71.6	Confident	41 Å²	41	72.9 Å²	72.9	25%	0.248	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	123.6	168	-177.6	0	0	0	0	107.5	C524 V532 L536	V248-C524 VanDerWaalsContact CG1-SG 3.58Å; V248-V532 HydrophobicContact CG1-CG1 4.46Å; V248-V532 HydrophobicContact CG2-CG1 4.42Å; V248-L536 HydrophobicContact CG2-CD1 3.96Å
249	L	90.8	Very high	72	Confident	30 Å²	30	72.5 Å²	72.5	16%	0.157	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	103.3	179.1	-177.4	66.6	0	0	0	108.6	A377 L381 V521 I522 V523 C524	L249-A377 HydrophobicContact CD2-CB 3.95Å; L249-A377 HydrophobicContact CG-CB 4.45Å; L249-L381 HydrophobicContact CD2-CB 4.35Å; L249-L381 HydrophobicContact CD2-CD2 4.4Å; L249-V521 HydrophobicContact CB-CG1 3.91Å; L249-V521 HydrophobicContact CD2-CG1 4.47Å; L249-I522 PolarHBondContact N-O 2.95Å; L249-V523 HydrophobicContact CD2-CG2 4.35Å; L249-C524 PolarHBondContact O-N 3.27Å
250	C	88.4	Confident	72.7	Confident	40 Å²	40	70 Å²	70	27%	0.27	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	130.1	178.1	-60.6	0	0	0	0	110.5	C524 E529	C250-C524 CarbonylContact C-O 3.58Å; C250-C524 WeakPolarHBondContact CA-O 3.37Å; C250-E529 WeakPolarHBondContact SG-CG 3.22Å; C250-E529 PolarHBondContact SG-OE2 2.83Å
251	C	84.2	Confident	73.6	Confident	8 Å²	8	71.1 Å²	71.1	5%	0.054	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	113.5	177.2	-48.4	0	0	0	0	108.1	D253 P373 A377 V523 C524 T526	C251-D253 PolarHBondContact O-N 3.45Å; C251-P373 HydrophobicContact CB-CB 4.27Å; C251-A377 WeakPolarHBondContact SG-CB 3.31Å; C251-V523 WeakPolarHBondContact SG-CG1 3.34Å; C251-C524 PolarHBondContact N-O 3.01Å; C251-C524 PolarHBondContact SG-O 3.09Å; C251-C524 VanDerWaalsContact SG-O 3.4Å; C251-T526 PolarHBondContact O-N 2.99Å; C251-T526 PolarHBondContact O-OG1 2.82Å
252	E	71.3	Confident	74.6	Confident	106 Å²	106	70.9 Å²	70.9	50%	0.495	38%	0.381	S	S	.	.			trans	-72.4	119.4	176.5	-68.5	-167.8	156.7	0	0	110.4	K254	E252-K254 HydrophobicContact CB-CB 4.25Å; E252-K254 HydrophobicContact CB-CD 4.38Å; E252-K254 HydrophobicContact CB-CG 4.04Å; E252-K254 VanDerWaalsContact CD-CE 3.48Å; E252-K254 HydrophobicContact CG-CD 4.44Å; E252-K254 PolarHBondContact O-N 3.45Å; E252-K254 VanDerWaalsContact O-N 3.16Å; E252-K254 WeakPolarHBondContact OE1-CE 3.48Å; E252-K254 IonicContact OE1-NZ 2.68Å; E252-K254 PolarHBondContact OE1-NZ 3.25Å; E252-K254 VanDerWaalsContact OE2-CD 3.28Å; E252-K254 WeakPolarHBondContact OE2-CD 3.49Å; E252-K254 IonicContact OE2-NZ 2.66Å; E252-K254 PolarHBondContact OE2-NZ 3.46Å
253	D	65.2	Low	75.6	Confident	77 Å²	77	69.7 Å²	69.7	41%	0.412	37%	0.368	S	S	.	.			trans	-82.5	30.5	169.4	-131.6	-15.3	0	0	0	110.6	C251 T255 R257	C251-D253 PolarHBondContact O-N 3.45Å; D253-T255 VanDerWaalsContact C-N 3.32Å; D253-T255 PolarHBondContact O-N 2.96Å; D253-R257 IonicContact OD1-CZ 2.63Å; D253-R257 IonicContact OD1-NE 3.84Å; D253-R257 PolarHBondContact OD1-NE 3.25Å; D253-R257 IonicContact OD1-NH2 2.98Å; D253-R257 PolarHBondContact OD1-NH2 3.09Å; D253-R257 VanDerWaalsContact OD1-NH2 3.1Å; D253-R257 IonicContact OD2-NH2 3.13Å; D253-R257 PolarHBondContact OD2-NH2 3.4Å; D253-R257 VanDerWaalsContact OD2-NH2 3.09Å
254	K	50.1	Low	76.4	Confident	156 Å²	156	69.1 Å²	69.1	68%	0.678	37%	0.369	S	S	*	.			trans	-77.5	-12.5	-170.6	-76.6	-170.9	-166.9	159.8	0	114.3	E252	E252-K254 HydrophobicContact CB-CB 4.25Å; E252-K254 HydrophobicContact CB-CD 4.38Å; E252-K254 HydrophobicContact CB-CG 4.04Å; E252-K254 VanDerWaalsContact CD-CE 3.48Å; E252-K254 HydrophobicContact CG-CD 4.44Å; E252-K254 PolarHBondContact O-N 3.45Å; E252-K254 VanDerWaalsContact O-N 3.16Å; E252-K254 WeakPolarHBondContact OE1-CE 3.48Å; E252-K254 IonicContact OE1-NZ 2.68Å; E252-K254 PolarHBondContact OE1-NZ 3.25Å; E252-K254 VanDerWaalsContact OE2-CD 3.28Å; E252-K254 WeakPolarHBondContact OE2-CD 3.49Å; E252-K254 IonicContact OE2-NZ 2.66Å; E252-K254 PolarHBondContact OE2-NZ 3.46Å
255	T	50.2	Low	76.8	Confident	97 Å²	97	72.9 Å²	72.9	60%	0.595	39%	0.385	S	S	*	.	S	Bend	trans	-87.2	118.5	172.3	52.2	0	0	0	0	108.3	D253 R257	D253-T255 VanDerWaalsContact C-N 3.32Å; D253-T255 PolarHBondContact O-N 2.96Å; T255-R257 PolarHBondContact O-N 3.41Å
256	S	53.3	Low	77	Confident	123 Å²	123	65.8 Å²	65.8	86%	0.86	36%	0.355	S	S	*	.			trans	-41.3	103	148.6	-82.1	0	0	0	0	106.2	S258	S256-S258 PolarHBondContact O-N 3.2Å
257	R	61.1	Low	77.1	Confident	38 Å²	38	64.5 Å²	64.5	14%	0.143	35%	0.347	C	S	.	.			trans	-56.1	124.7	-176	-62.2	176.4	-173.5	179.4	5	104.4	D253 T255 Y259 A260 E263	D253-R257 IonicContact OD1-CZ 2.63Å; D253-R257 IonicContact OD1-NE 3.84Å; D253-R257 PolarHBondContact OD1-NE 3.25Å; D253-R257 IonicContact OD1-NH2 2.98Å; D253-R257 PolarHBondContact OD1-NH2 3.09Å; D253-R257 VanDerWaalsContact OD1-NH2 3.1Å; D253-R257 IonicContact OD2-NH2 3.13Å; D253-R257 PolarHBondContact OD2-NH2 3.4Å; D253-R257 VanDerWaalsContact OD2-NH2 3.09Å; T255-R257 PolarHBondContact O-N 3.41Å; R257-Y259 HydrophobicContact CB-CD1 4.14Å; R257-Y259 HydrophobicContact CB-CD2 4.24Å; R257-Y259 HydrophobicContact CB-CE1 3.99Å; R257-Y259 HydrophobicContact CB-CE2 4.1Å; R257-Y259 HydrophobicContact CB-CG 4.28Å; R257-Y259 HydrophobicContact CG-CE2 4.44Å; R257-Y259 PolarHBondContact O-N 2.87Å; R257-A260 HydrophobicContact CB-CB 4.03Å; R257-A260 WeakPolarHBondContact O-CB 3.43Å; R257-A260 PolarHBondContact O-N 3.25Å; R257-E263 WeakPolarHBondContact CD-OE2 3.46Å; R257-E263 IonicContact CZ-OE1 3.22Å; R257-E263 IonicContact CZ-OE2 3.3Å; R257-E263 IonicContact NE-OE2 3.87Å; R257-E263 IonicContact NH1-OE1 3.57Å; R257-E263 PolarHBondContact NH1-OE1 3.12Å; R257-E263 IonicContact NH1-OE2 3.35Å; R257-E263 PolarHBondContact NH1-OE2 3.05Å
258	S	64.4	Low	77.2	Confident	99 Å²	99	64 Å²	64	69%	0.692	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.9	-16.8	179.4	62.5	0	0	0	0	112.1	S256	S256-S258 PolarHBondContact O-N 3.2Å
259	Y	74.4	Confident	77.3	Confident	14 Å²	14	65 Å²	65	6%	0.055	35%	0.354	C	S	.	.	T	Hydrogen-bonded Turn	trans	-112.7	13.5	177.5	60.5	-90.2	0	0	0	115	R257 Q261 L262 E263 L310 R369 V371	R257-Y259 HydrophobicContact CB-CD1 4.14Å; R257-Y259 HydrophobicContact CB-CD2 4.24Å; R257-Y259 HydrophobicContact CB-CE1 3.99Å; R257-Y259 HydrophobicContact CB-CE2 4.1Å; R257-Y259 HydrophobicContact CB-CG 4.28Å; R257-Y259 HydrophobicContact CG-CE2 4.44Å; R257-Y259 PolarHBondContact O-N 2.87Å; Y259-Q261 PolarHBondContact O-N 3.37Å; Y259-L262 PolarHBondContact O-N 3.34Å; Y259-E263 HydrophobicContact CD2-CB 4.07Å; Y259-E263 HydrophobicContact CE2-CB 4.49Å; Y259-E263 WeakPolarHBondContact CE2-OE2 3.33Å; Y259-E263 PolarHBondContact O-N 3.27Å; Y259-L310 HydrophobicContact CD1-CD1 4.37Å; Y259-L310 HydrophobicContact CD2-CD1 3.76Å; Y259-L310 HydrophobicContact CD2-CD2 4.21Å; Y259-L310 HydrophobicContact CD2-CG 3.81Å; Y259-L310 HydrophobicContact CE2-CG 4.21Å; Y259-L310 HydrophobicContact CG-CD1 3.62Å; Y259-L310 HydrophobicContact CG-CG 4.15Å; Y259-R369 WeakPolarHBondContact CD1-O 3.42Å; Y259-R369 WeakPolarHBondContact CE1-O 3.26Å; Y259-V371 PolarHBondContact OH-O 2.94Å
260	A	78.2	Confident	77.3	Confident	36 Å²	36	63.7 Å²	63.7	30%	0.298	35%	0.347	S	S	.	.	H	α-helix	trans	-54.8	-39.7	-176.8	0	0	0	0	0	112.3	R257 E263 N264	R257-A260 HydrophobicContact CB-CB 4.03Å; R257-A260 WeakPolarHBondContact O-CB 3.43Å; R257-A260 PolarHBondContact O-N 3.25Å; A260-E263 PolarHBondContact O-N 3.04Å; A260-N264 WeakPolarHBondContact O-CB 3.41Å; A260-N264 VanDerWaalsContact O-CG 3.25Å; A260-N264 PolarHBondContact O-N 3.46Å; A260-N264 PolarHBondContact O-ND2 2.81Å
261	Q	81.9	Confident	77.6	Confident	169 Å²	169	64.9 Å²	64.9	79%	0.79	35%	0.349	S	S	*	.	H	α-helix	trans	-64.2	-41.8	176.4	-173	176.2	-2.5	0	0	112.1	Y259 N264 E265	Y259-Q261 PolarHBondContact O-N 3.37Å; Q261-N264 PolarHBondContact O-N 3.05Å; Q261-E265 WeakPolarHBondContact O-CB 3.5Å; Q261-E265 PolarHBondContact O-N 3.3Å
262	L	84.2	Confident	78	Confident	10 Å²	10	70.1 Å²	70.1	5%	0.052	37%	0.372	C	S	.	.	H	α-helix	trans	-70.4	-40.8	177.8	179.8	64	0	0	0	111.5	Y259 N264 E265 L266 L310 Y357	Y259-L262 PolarHBondContact O-N 3.34Å; L262-N264 VanDerWaalsContact C-N 3.33Å; L262-N264 PolarHBondContact O-N 3.28Å; L262-E265 PolarHBondContact O-N 3.5Å; L262-L266 HydrophobicContact CD1-CD1 4.36Å; L262-L266 HydrophobicContact CD1-CG 4.17Å; L262-L266 HydrophobicContact CG-CD1 4.02Å; L262-L266 HydrophobicContact CG-CG 4.29Å; L262-L266 WeakPolarHBondContact O-CB 3.37Å; L262-L266 WeakPolarHBondContact O-CG 3.49Å; L262-L266 PolarHBondContact O-N 2.89Å; L262-L310 HydrophobicContact CD2-CD1 3.79Å; L262-Y357 HydrophobicContact CD1-CE2 4.33Å; L262-Y357 HydrophobicContact CD2-CD1 4.26Å; L262-Y357 HydrophobicContact CD2-CD2 3.5Å; L262-Y357 HydrophobicContact CD2-CE1 4.36Å; L262-Y357 HydrophobicContact CD2-CE2 3.64Å; L262-Y357 HydrophobicContact CD2-CG 3.84Å
263	E	84.9	Confident	79	Confident	15 Å²	15	65.7 Å²	65.7	7%	0.07	35%	0.352	C	S	.	.	H	α-helix	trans	-56	-49.2	172.5	163.3	166.2	-157.5	0	0	110.8	R257 Y259 A260 E265 L266 T267 V305	R257-E263 WeakPolarHBondContact CD-OE2 3.46Å; R257-E263 IonicContact CZ-OE1 3.22Å; R257-E263 IonicContact CZ-OE2 3.3Å; R257-E263 IonicContact NE-OE2 3.87Å; R257-E263 IonicContact NH1-OE1 3.57Å; R257-E263 PolarHBondContact NH1-OE1 3.12Å; R257-E263 IonicContact NH1-OE2 3.35Å; R257-E263 PolarHBondContact NH1-OE2 3.05Å; Y259-E263 HydrophobicContact CD2-CB 4.07Å; Y259-E263 HydrophobicContact CE2-CB 4.49Å; Y259-E263 WeakPolarHBondContact CE2-OE2 3.33Å; Y259-E263 PolarHBondContact O-N 3.27Å; A260-E263 PolarHBondContact O-N 3.04Å; E263-E265 PolarHBondContact O-N 3.39Å; E263-L266 PolarHBondContact O-N 3.41Å; E263-T267 VanDerWaalsContact O-CB 3.28Å; E263-T267 WeakPolarHBondContact O-CB 3.33Å; E263-T267 PolarHBondContact O-N 3.27Å; E263-T267 PolarHBondContact O-OG1 2.96Å; E263-V305 HydrophobicContact CB-CG1 4.12Å; E263-V305 HydrophobicContact CG-CG1 3.79Å
264	N	86.9	Confident	80.2	Confident	102 Å²	102	62.6 Å²	62.6	55%	0.545	34%	0.336	S	S	.	.	H	α-helix	trans	-60.1	-44.9	175.2	-71.4	-20.6	0	0	0	111.7	A260 Q261 L262 L266 T267 T268	A260-N264 WeakPolarHBondContact O-CB 3.41Å; A260-N264 VanDerWaalsContact O-CG 3.25Å; A260-N264 PolarHBondContact O-N 3.46Å; A260-N264 PolarHBondContact O-ND2 2.81Å; Q261-N264 PolarHBondContact O-N 3.05Å; L262-N264 VanDerWaalsContact C-N 3.33Å; L262-N264 PolarHBondContact O-N 3.28Å; N264-L266 PolarHBondContact O-N 2.9Å; N264-T267 PolarHBondContact O-N 3.17Å; N264-T268 WeakPolarHBondContact O-CB 3.47Å; N264-T268 PolarHBondContact O-N 2.93Å; N264-T268 PolarHBondContact O-OG1 2.89Å
265	E	89.6	Confident	82.2	Confident	83 Å²	83	59.2 Å²	59.2	39%	0.388	33%	0.325	S	S	.	.	H	α-helix	trans	-60.3	-45.9	178.1	-172.1	-173.7	164.4	0	0	112.2	Q261 L262 E263 T268 K269	Q261-E265 WeakPolarHBondContact O-CB 3.5Å; Q261-E265 PolarHBondContact O-N 3.3Å; L262-E265 PolarHBondContact O-N 3.5Å; E263-E265 PolarHBondContact O-N 3.39Å; E265-T268 PolarHBondContact O-N 3.25Å; E265-K269 HydrophobicContact CG-CD 4.46Å; E265-K269 WeakPolarHBondContact O-CB 3.34Å; E265-K269 WeakPolarHBondContact O-CG 3.5Å; E265-K269 PolarHBondContact O-N 3.18Å; E265-K269 WeakPolarHBondContact OE1-CE 3.47Å; E265-K269 IonicContact OE1-NZ 2.72Å
266	L	89.7	Confident	84.1	Confident	2 Å²	2	59.6 Å²	59.6	1%	0.01	32%	0.318	C	S	.	.	H	α-helix	trans	-64.5	-42.3	178.3	-67.9	171	0	0	0	111.2	L262 E263 N264 K269 C270 V305 L310 L350 L353 L354	L262-L266 HydrophobicContact CD1-CD1 4.36Å; L262-L266 HydrophobicContact CD1-CG 4.17Å; L262-L266 HydrophobicContact CG-CD1 4.02Å; L262-L266 HydrophobicContact CG-CG 4.29Å; L262-L266 WeakPolarHBondContact O-CB 3.37Å; L262-L266 WeakPolarHBondContact O-CG 3.49Å; L262-L266 PolarHBondContact O-N 2.89Å; E263-L266 PolarHBondContact O-N 3.41Å; N264-L266 PolarHBondContact O-N 2.9Å; L266-K269 PolarHBondContact O-N 3.34Å; L266-C270 PolarHBondContact O-N 3.28Å; L266-C270 PolarHBondContact O-SG 2.78Å; L266-V305 HydrophobicContact CB-CG2 4.5Å; L266-V305 HydrophobicContact CD1-CG2 4.38Å; L266-L310 HydrophobicContact CD1-CD2 3.71Å; L266-L350 HydrophobicContact CD2-CB 4.45Å; L266-L350 HydrophobicContact CD2-CD2 3.43Å; L266-L350 VanDerWaalsContact CD2-CD2 3.43Å; L266-L353 HydrophobicContact CD2-CB 4.32Å; L266-L353 HydrophobicContact CD2-CD1 4.2Å; L266-L354 HydrophobicContact CD1-CD2 3.59Å; L266-L354 HydrophobicContact CD1-CG 4.15Å; L266-L354 HydrophobicContact CD2-CG 4.5Å
267	T	89.7	Confident	85.7	Confident	24 Å²	24	53.8 Å²	53.8	15%	0.147	28%	0.278	C	S	.	.	H	α-helix	trans	-64.9	-43.8	177.7	-75.8	0	0	0	0	111.2	E263 N264 C270 Q271 Q302 D306	E263-T267 VanDerWaalsContact O-CB 3.28Å; E263-T267 WeakPolarHBondContact O-CB 3.33Å; E263-T267 PolarHBondContact O-N 3.27Å; E263-T267 PolarHBondContact O-OG1 2.96Å; N264-T267 PolarHBondContact O-N 3.17Å; T267-C270 PolarHBondContact O-N 3.34Å; T267-Q271 WeakPolarHBondContact O-CB 3.33Å; T267-Q271 PolarHBondContact O-N 3.48Å; T267-Q302 HydrophobicContact CG2-CG 3.83Å; T267-D306 PolarHBondContact OG1-OD1 2.85Å; T267-D306 VanDerWaalsContact OG1-OD1 3.13Å
268	T	92.4	Very high	86.8	Confident	73 Å²	73	54 Å²	54	45%	0.448	29%	0.287	S	S	.	.	H	α-helix	trans	-61.2	-48	174.4	-62.2	0	0	0	0	111.6	N264 E265 C270 Q271 E272	N264-T268 WeakPolarHBondContact O-CB 3.47Å; N264-T268 PolarHBondContact O-N 2.93Å; N264-T268 PolarHBondContact O-OG1 2.89Å; E265-T268 PolarHBondContact O-N 3.25Å; T268-C270 VanDerWaalsContact C-N 3.29Å; T268-C270 PolarHBondContact O-N 3.24Å; T268-Q271 WeakPolarHBondContact O-CB 3.38Å; T268-Q271 PolarHBondContact O-N 3.38Å; T268-E272 HydrophobicContact CG2-CG 4.41Å; T268-E272 WeakPolarHBondContact O-CG 3.19Å; T268-E272 PolarHBondContact O-N 3.41Å
269	K	91.7	Very high	87.8	Confident	64 Å²	64	55.1 Å²	55.1	28%	0.278	29%	0.286	S	S	.	.	H	α-helix	trans	-59.2	-39	176.9	-75.4	178.2	-174.7	-66.6	0	112.5	E265 L266 I273 L350 L353	E265-K269 HydrophobicContact CG-CD 4.46Å; E265-K269 WeakPolarHBondContact O-CB 3.34Å; E265-K269 WeakPolarHBondContact O-CG 3.5Å; E265-K269 PolarHBondContact O-N 3.18Å; E265-K269 WeakPolarHBondContact OE1-CE 3.47Å; E265-K269 IonicContact OE1-NZ 2.72Å; L266-K269 PolarHBondContact O-N 3.34Å; K269-I273 WeakPolarHBondContact O-CD1 3.46Å; K269-I273 WeakPolarHBondContact O-CG1 3.38Å; K269-L350 HydrophobicContact CB-CD2 4.11Å; K269-L350 HydrophobicContact CD-CD2 4.15Å; K269-L353 HydrophobicContact CD-CD1 4.19Å
270	C	92.4	Very high	88.1	Confident	2 Å²	2	55.8 Å²	55.8	1%	0.014	29%	0.291	C	S	.	.	H	α-helix	trans	-65.2	-43.2	174.6	-68.5	0	0	0	0	111.3	L266 T267 T268 I273 I274 F298 Q302	L266-C270 PolarHBondContact O-N 3.28Å; L266-C270 PolarHBondContact O-SG 2.78Å; T267-C270 PolarHBondContact O-N 3.34Å; T268-C270 VanDerWaalsContact C-N 3.29Å; T268-C270 PolarHBondContact O-N 3.24Å; C270-I273 PolarHBondContact O-N 2.97Å; C270-I274 WeakPolarHBondContact O-CD1 3.49Å; C270-I274 VanDerWaalsContact O-CG1 3.28Å; C270-I274 WeakPolarHBondContact O-CG1 3.34Å; C270-I274 PolarHBondContact O-N 2.92Å; C270-I274 VanDerWaalsContact O-N 3.13Å; C270-F298 HydrophobicContact CB-CB 4.44Å; C270-F298 HydrophobicContact CB-CD1 4.44Å; C270-Q302 HydrophobicContact CB-CB 4.22Å
271	Q	93.4	Very high	87.7	Confident	64 Å²	64	57 Å²	57	30%	0.299	29%	0.29	S	S	.	.	H	α-helix	trans	-64.5	-44	-179.4	-168.6	61.9	51.3	0	0	112.2	T267 T268 I273 I274 D275	T267-Q271 WeakPolarHBondContact O-CB 3.33Å; T267-Q271 PolarHBondContact O-N 3.48Å; T268-Q271 WeakPolarHBondContact O-CB 3.38Å; T268-Q271 PolarHBondContact O-N 3.38Å; Q271-I273 PolarHBondContact O-N 2.77Å; Q271-I274 WeakPolarHBondContact O-CB 3.33Å; Q271-I274 PolarHBondContact O-N 2.92Å; Q271-D275 PolarHBondContact NE2-OD1 2.86Å; Q271-D275 VanDerWaalsContact O-CG 3.29Å; Q271-D275 PolarHBondContact O-N 2.97Å
272	E	93.3	Very high	86.7	Confident	118 Å²	118	59.2 Å²	59.2	55%	0.551	29%	0.292	S	S	*	.	H	α-helix	trans	-54.1	-41	176.6	-74	171.9	-175.8	0	0	112.2	T268 F276	T268-E272 HydrophobicContact CG2-CG 4.41Å; T268-E272 WeakPolarHBondContact O-CG 3.19Å; T268-E272 PolarHBondContact O-N 3.41Å; E272-F276 VanDerWaalsContact O-CB 3.28Å; E272-F276 WeakPolarHBondContact O-CB 3.49Å; E272-F276 PolarHBondContact O-N 3.01Å
273	I	91	Very high	85.6	Confident	13 Å²	13	62.3 Å²	62.3	7%	0.067	32%	0.315	C	S	.	.	H	α-helix	trans	-73.4	-38.2	178.9	-61.3	162.3	0	0	0	111.3	K269 C270 Q271 D275 I277 F298 Q346	K269-I273 WeakPolarHBondContact O-CD1 3.46Å; K269-I273 WeakPolarHBondContact O-CG1 3.38Å; C270-I273 PolarHBondContact O-N 2.97Å; Q271-I273 PolarHBondContact O-N 2.77Å; I273-D275 VanDerWaalsContact C-N 3.32Å; I273-I277 HydrophobicContact CG2-CD1 3.8Å; I273-I277 HydrophobicContact CG2-CG1 4.41Å; I273-I277 WeakPolarHBondContact O-CB 3.31Å; I273-I277 VanDerWaalsContact O-CG1 3.23Å; I273-I277 WeakPolarHBondContact O-CG1 3.14Å; I273-I277 PolarHBondContact O-N 3.12Å; I273-F298 HydrophobicContact CB-CD1 4.36Å; I273-F298 HydrophobicContact CB-CD2 4.28Å; I273-F298 HydrophobicContact CB-CE2 4.45Å; I273-F298 HydrophobicContact CB-CG 4.26Å; I273-F298 HydrophobicContact CD1-CD1 3.77Å; I273-F298 HydrophobicContact CD1-CE1 3.31Å; I273-F298 HydrophobicContact CD1-CE2 4.32Å; I273-F298 HydrophobicContact CD1-CG 4.45Å; I273-F298 HydrophobicContact CD1-CZ 3.64Å; I273-F298 HydrophobicContact CG2-CD1 4.41Å; I273-F298 HydrophobicContact CG2-CD2 3.56Å; I273-F298 HydrophobicContact CG2-CE1 4.39Å; I273-F298 HydrophobicContact CG2-CE2 3.53Å; I273-F298 HydrophobicContact CG2-CG 4.04Å; I273-F298 HydrophobicContact CG2-CZ 3.98Å; I273-Q346 HydrophobicContact CD1-CB 3.39Å; I273-Q346 HydrophobicContact CD1-CG 3.4Å; I273-Q346 VanDerWaalsContact CD1-CG 3.4Å; I273-Q346 HydrophobicContact CG1-CG 4.18Å
274	I	90.6	Very high	84.2	Confident	13 Å²	13	67.6 Å²	67.6	7%	0.067	34%	0.338	C	S	.	.	H	α-helix	trans	-61	-46.6	175.9	-68.7	161.8	0	0	0	109.8	C270 Q271 I277 A278 F298 N299	C270-I274 WeakPolarHBondContact O-CD1 3.49Å; C270-I274 VanDerWaalsContact O-CG1 3.28Å; C270-I274 WeakPolarHBondContact O-CG1 3.34Å; C270-I274 PolarHBondContact O-N 2.92Å; C270-I274 VanDerWaalsContact O-N 3.13Å; Q271-I274 WeakPolarHBondContact O-CB 3.33Å; Q271-I274 PolarHBondContact O-N 2.92Å; I274-I277 PolarHBondContact O-N 2.89Å; I274-A278 WeakPolarHBondContact O-CB 3.37Å; I274-A278 PolarHBondContact O-N 3.27Å; I274-F298 HydrophobicContact CD1-CB 4.02Å; I274-F298 HydrophobicContact CG1-CB 3.69Å; I274-N299 HydrophobicContact CD1-CB 4.34Å
275	D	91.9	Very high	82.8	Confident	84 Å²	84	68.6 Å²	68.6	45%	0.449	35%	0.353	S	S	.	.	H	α-helix	trans	-67	-44.9	-179.1	-65.5	-16.6	0	0	0	110.6	Q271 I273 I277 A278 D279	Q271-D275 PolarHBondContact NE2-OD1 2.86Å; Q271-D275 VanDerWaalsContact O-CG 3.29Å; Q271-D275 PolarHBondContact O-N 2.97Å; I273-D275 VanDerWaalsContact C-N 3.32Å; D275-I277 VanDerWaalsContact C-N 3.34Å; D275-I277 PolarHBondContact O-N 3.38Å; D275-A278 WeakPolarHBondContact O-CB 3.38Å; D275-A278 PolarHBondContact O-N 2.92Å; D275-A278 VanDerWaalsContact O-N 3.07Å; D275-D279 PolarHBondContact O-N 3.14Å
276	F	90.6	Very high	81.6	Confident	105 Å²	105	68.9 Å²	68.9	46%	0.461	35%	0.351	S	S	.	.	H	α-helix	trans	-56.5	-45.7	174	177.4	-108.4	0	0	0	112.4	E272 A278 D279 V280 F339 L342	E272-F276 VanDerWaalsContact O-CB 3.28Å; E272-F276 WeakPolarHBondContact O-CB 3.49Å; E272-F276 PolarHBondContact O-N 3.01Å; F276-A278 VanDerWaalsContact C-N 3.32Å; F276-A278 PolarHBondContact O-N 3.26Å; F276-D279 PolarHBondContact O-N 2.88Å; F276-V280 HydrophobicContact CE1-CG2 4.46Å; F276-V280 HydrophobicContact CE2-CG2 4.17Å; F276-V280 HydrophobicContact CZ-CG2 4.13Å; F276-V280 WeakPolarHBondContact O-CG2 3.49Å; F276-V280 PolarHBondContact O-N 2.95Å; F276-V280 VanDerWaalsContact O-N 3.16Å; F276-F339 AromaticContact CE1-CE1 3.82Å; F276-F339 HydrophobicContact CE1-CE1 3.82Å; F276-L342 HydrophobicContact CD1-CD2 3.97Å; F276-L342 HydrophobicContact CE1-CD2 3.78Å
277	I	86.3	Confident	80.5	Confident	1 Å²	1	72.7 Å²	72.7	1%	0.005	37%	0.371	C	S	.	.	H	α-helix	trans	-66.5	-35.7	177.1	-69	168.2	0	0	0	111.3	I273 I274 D275 K281 L291 I294	I273-I277 HydrophobicContact CG2-CD1 3.8Å; I273-I277 HydrophobicContact CG2-CG1 4.41Å; I273-I277 WeakPolarHBondContact O-CB 3.31Å; I273-I277 VanDerWaalsContact O-CG1 3.23Å; I273-I277 WeakPolarHBondContact O-CG1 3.14Å; I273-I277 PolarHBondContact O-N 3.12Å; I274-I277 PolarHBondContact O-N 2.89Å; D275-I277 VanDerWaalsContact C-N 3.34Å; D275-I277 PolarHBondContact O-N 3.38Å; I277-K281 WeakPolarHBondContact O-CG 3.36Å; I277-K281 PolarHBondContact O-N 3.01Å; I277-L291 HydrophobicContact CG2-CB 4.07Å; I277-L291 HydrophobicContact CG2-CD2 4.26Å; I277-I294 HydrophobicContact CD1-CB 4.08Å; I277-I294 HydrophobicContact CD1-CG2 3.53Å
278	A	86.2	Confident	79.8	Confident	42 Å²	42	78.1 Å²	78.1	35%	0.347	39%	0.393	S	S	.	.	H	α-helix	trans	-66.1	-41.7	177.2	0	0	0	0	0	111.4	I274 D275 F276 K281 Y282	I274-A278 WeakPolarHBondContact O-CB 3.37Å; I274-A278 PolarHBondContact O-N 3.27Å; D275-A278 WeakPolarHBondContact O-CB 3.38Å; D275-A278 PolarHBondContact O-N 2.92Å; D275-A278 VanDerWaalsContact O-N 3.07Å; F276-A278 VanDerWaalsContact C-N 3.32Å; F276-A278 PolarHBondContact O-N 3.26Å; A278-K281 WeakPolarHBondContact O-CB 3.39Å; A278-K281 PolarHBondContact O-N 2.9Å; A278-Y282 WeakPolarHBondContact O-CD2 3.09Å
279	D	85.3	Confident	79.1	Confident	124 Å²	124	81.2 Å²	81.2	66%	0.663	40%	0.4	S	S	*	.	H	α-helix	trans	-64.7	-46.2	-179.2	-146	37.2	0	0	0	111.1	D275 F276 K281 Y282 S283	D275-D279 PolarHBondContact O-N 3.14Å; F276-D279 PolarHBondContact O-N 2.88Å; D279-K281 VanDerWaalsContact C-N 3.28Å; D279-K281 PolarHBondContact O-N 3.12Å; D279-Y282 PolarHBondContact O-N 3.29Å; D279-S283 PolarHBondContact O-OG 3.46Å
280	V	80.2	Confident	78.6	Confident	27 Å²	27	78.5 Å²	78.5	16%	0.164	39%	0.39	C	S	.	.	H	α-helix	trans	-64.4	-29.7	178.5	177.7	0	0	0	0	113	F276 Y282 S283 F339	F276-V280 HydrophobicContact CE1-CG2 4.46Å; F276-V280 HydrophobicContact CE2-CG2 4.17Å; F276-V280 HydrophobicContact CZ-CG2 4.13Å; F276-V280 WeakPolarHBondContact O-CG2 3.49Å; F276-V280 PolarHBondContact O-N 2.95Å; F276-V280 VanDerWaalsContact O-N 3.16Å; V280-Y282 PolarHBondContact O-N 2.76Å; V280-Y282 VanDerWaalsContact O-N 3.15Å; V280-S283 PolarHBondContact O-N 2.95Å; V280-S283 VanDerWaalsContact O-N 3.15Å; V280-F339 HydrophobicContact CB-CZ 4.46Å; V280-F339 HydrophobicContact CG1-CZ 3.86Å; V280-F339 HydrophobicContact CG2-CZ 4.44Å
281	K	70.5	Confident	78.1	Confident	62 Å²	62	78.9 Å²	78.9	27%	0.27	39%	0.391	S	S	.	.	H	α-helix	trans	-61.6	-22.8	-179.7	-84.3	172	-176.2	167.1	0	113.6	I277 A278 D279 L291	I277-K281 WeakPolarHBondContact O-CG 3.36Å; I277-K281 PolarHBondContact O-N 3.01Å; A278-K281 WeakPolarHBondContact O-CB 3.39Å; A278-K281 PolarHBondContact O-N 2.9Å; D279-K281 VanDerWaalsContact C-N 3.28Å; D279-K281 PolarHBondContact O-N 3.12Å; K281-L291 HydrophobicContact CG-CD1 4.2Å
282	Y	60.1	Low	77.7	Confident	216 Å²	216	76.5 Å²	76.5	85%	0.847	39%	0.385	S	S	*	.	H	α-helix	trans	-86.3	-20.2	-180	-80.7	-85.1	0	0	0	113.3	A278 D279 V280	A278-Y282 WeakPolarHBondContact O-CD2 3.09Å; D279-Y282 PolarHBondContact O-N 3.29Å; V280-Y282 PolarHBondContact O-N 2.76Å; V280-Y282 VanDerWaalsContact O-N 3.15Å
283	S	62	Low	77.4	Confident	74 Å²	74	72.6 Å²	72.6	52%	0.517	37%	0.37	S	S	.	.	H	α-helix	trans	-88.3	-22.6	-169.3	-38.5	0	0	0	0	113.8	D279 V280	D279-S283 PolarHBondContact O-OG 3.46Å; V280-S283 PolarHBondContact O-N 2.95Å; V280-S283 VanDerWaalsContact O-N 3.15Å
284	F	55.4	Low	77.3	Confident	126 Å²	126	72 Å²	72	55%	0.553	37%	0.367	S	S	*	.			trans	-153.3	158.1	-169.7	-67.7	-78.5	0	0	0	116.2	Y286	F284-Y286 HydrophobicContact CB-CD2 3.44Å; F284-Y286 VanDerWaalsContact CB-CD2 3.44Å; F284-Y286 HydrophobicContact CB-CE1 4.36Å; F284-Y286 HydrophobicContact CB-CE2 3.04Å; F284-Y286 HydrophobicContact CB-CG 4.25Å; F284-Y286 HydrophobicContact CD1-CE2 4.42Å; F284-Y286 AromaticContact CD2-CE2 3.86Å; F284-Y286 HydrophobicContact CD2-CE2 3.86Å; F284-Y286 HydrophobicContact CG-CD2 4.39Å; F284-Y286 AromaticContact CG-CE2 3.54Å; F284-Y286 HydrophobicContact CG-CE2 3.54Å; F284-Y286 AromaticContact CG-CZ 3.81Å; F284-Y286 PolarHBondContact O-N 3.07Å; F284-Y286 VanDerWaalsContact O-N 3.12Å
285	S	57.4	Low	77.3	Confident	123 Å²	123	72.1 Å²	72.1	86%	0.86	37%	0.369	S	S	*	.			trans	-82.4	59.5	-179.8	173.6	0	0	0	0	113.3
286	Y	63.7	Low	77.2	Confident	89 Å²	89	74 Å²	74	35%	0.349	37%	0.373	S	S	.	.			trans	-98.8	177.8	-179.6	-59.6	-53.5	0	0	0	114.3	F284 K288 E335	F284-Y286 HydrophobicContact CB-CD2 3.44Å; F284-Y286 VanDerWaalsContact CB-CD2 3.44Å; F284-Y286 HydrophobicContact CB-CE1 4.36Å; F284-Y286 HydrophobicContact CB-CE2 3.04Å; F284-Y286 HydrophobicContact CB-CG 4.25Å; F284-Y286 HydrophobicContact CD1-CE2 4.42Å; F284-Y286 AromaticContact CD2-CE2 3.86Å; F284-Y286 HydrophobicContact CD2-CE2 3.86Å; F284-Y286 HydrophobicContact CG-CD2 4.39Å; F284-Y286 AromaticContact CG-CE2 3.54Å; F284-Y286 HydrophobicContact CG-CE2 3.54Å; F284-Y286 AromaticContact CG-CZ 3.81Å; F284-Y286 PolarHBondContact O-N 3.07Å; F284-Y286 VanDerWaalsContact O-N 3.12Å; Y286-K288 VanDerWaalsContact C-N 3.25Å; Y286-K288 WeakPolarHBondContact O-CG 3.47Å; Y286-K288 PolarHBondContact O-N 3.31Å; Y286-E335 HydrophobicContact CE1-CG 4.4Å
287	D	67.4	Low	77.2	Confident	83 Å²	83	69 Å²	69	44%	0.444	35%	0.351	S	S	.	.			trans	-63.8	82.8	172.4	-172.4	-0.7	0	0	0	111.3	K289 A290 L291	D287-K289 PolarHBondContact O-N 2.63Å; D287-K289 WeakPolarHBondContact OD1-CB 3.35Å; D287-K289 PolarHBondContact OD1-N 3.47Å; D287-A290 HydrophobicContact CB-CB 4.45Å; D287-A290 PolarHBondContact O-N 3.23Å; D287-A290 PolarHBondContact OD1-N 2.81Å; D287-L291 PolarHBondContact O-N 3.2Å
288	K	75	Confident	77.5	Confident	138 Å²	138	69 Å²	69	60%	0.6	35%	0.351	S	S	*	.	H	α-helix	trans	-55.6	-22	178	-62.4	-172.9	179.6	-175	0	112.3	Y286 G292	Y286-K288 VanDerWaalsContact C-N 3.25Å; Y286-K288 WeakPolarHBondContact O-CG 3.47Å; Y286-K288 PolarHBondContact O-N 3.31Å; K288-G292 PolarHBondContact O-N 3.24Å
289	K	77.7	Confident	77.8	Confident	137 Å²	137	69.8 Å²	69.8	60%	0.596	35%	0.35	S	S	*	.	H	α-helix	trans	-73.4	-47.7	-179.7	-165.8	-176.5	176	-171	0	110.8	D287 G292 S293	D287-K289 PolarHBondContact O-N 2.63Å; D287-K289 WeakPolarHBondContact OD1-CB 3.35Å; D287-K289 PolarHBondContact OD1-N 3.47Å; K289-G292 PolarHBondContact O-N 2.98Å; K289-S293 PolarHBondContact O-N 2.98Å; K289-S293 PolarHBondContact O-OG 3.44Å
290	A	79.6	Confident	78.1	Confident	8 Å²	8	64.6 Å²	64.6	7%	0.066	32%	0.321	C	S	.	.	H	α-helix	trans	-62.3	-48.5	178.2	0	0	0	0	0	111.7	D287 G292 S293 I294 T336	D287-A290 HydrophobicContact CB-CB 4.45Å; D287-A290 PolarHBondContact O-N 3.23Å; D287-A290 PolarHBondContact OD1-N 2.81Å; A290-G292 VanDerWaalsContact C-N 3.28Å; A290-G292 PolarHBondContact O-N 3.24Å; A290-S293 WeakPolarHBondContact O-CB 3.11Å; A290-S293 PolarHBondContact O-N 3.44Å; A290-I294 WeakPolarHBondContact O-CG1 3.33Å; A290-I294 PolarHBondContact O-N 3.43Å; A290-T336 HydrophobicContact CB-CG2 3.62Å
291	L	82.5	Confident	78.7	Confident	9 Å²	9	63.4 Å²	63.4	5%	0.047	31%	0.313	C	S	.	.	H	α-helix	trans	-60.6	-37.9	174.4	-69.6	175.1	0	0	0	112.4	I277 K281 D287 S293 I294 S295 F339	I277-L291 HydrophobicContact CG2-CB 4.07Å; I277-L291 HydrophobicContact CG2-CD2 4.26Å; K281-L291 HydrophobicContact CG-CD1 4.2Å; D287-L291 PolarHBondContact O-N 3.2Å; L291-S293 VanDerWaalsContact C-N 3.33Å; L291-I294 PolarHBondContact O-N 3.12Å; L291-S295 WeakPolarHBondContact O-CB 3.4Å; L291-S295 PolarHBondContact O-N 3.01Å; L291-F339 HydrophobicContact CD2-CB 3.97Å; L291-F339 HydrophobicContact CD2-CD1 3.63Å; L291-F339 HydrophobicContact CD2-CD2 3.59Å; L291-F339 HydrophobicContact CD2-CE1 4Å; L291-F339 HydrophobicContact CD2-CE2 3.99Å; L291-F339 HydrophobicContact CD2-CG 3.43Å; L291-F339 VanDerWaalsContact CD2-CG 3.43Å; L291-F339 HydrophobicContact CD2-CZ 4.2Å
292	G	85.9	Confident	79.7	Confident	15 Å²	15	61.9 Å²	61.9	16%	0.155	31%	0.307	C	S	.	.	H	α-helix	trans	-60.5	-41	172.4	0	0	0	0	0	112.7	K288 K289 A290 K296	K288-G292 PolarHBondContact O-N 3.24Å; K289-G292 PolarHBondContact O-N 2.98Å; A290-G292 VanDerWaalsContact C-N 3.28Å; A290-G292 PolarHBondContact O-N 3.24Å; G292-K296 VanDerWaalsContact O-CG 3.26Å; G292-K296 WeakPolarHBondContact O-CG 3.44Å; G292-K296 PolarHBondContact O-N 3.01Å; G292-K296 VanDerWaalsContact O-N 3.16Å
293	S	85.9	Confident	81.1	Confident	35 Å²	35	53.3 Å²	53.3	25%	0.245	28%	0.276	C	S	.	.	H	α-helix	trans	-66.8	-45	176.3	-62.5	0	0	0	0	112.1	K289 A290 L291 S295 K296 I297	K289-S293 PolarHBondContact O-N 2.98Å; K289-S293 PolarHBondContact O-OG 3.44Å; A290-S293 WeakPolarHBondContact O-CB 3.11Å; A290-S293 PolarHBondContact O-N 3.44Å; L291-S293 VanDerWaalsContact C-N 3.33Å; S293-S295 PolarHBondContact O-N 3.45Å; S293-K296 WeakPolarHBondContact O-CB 3.44Å; S293-K296 PolarHBondContact O-N 3.5Å; S293-I297 WeakPolarHBondContact O-CG1 3.32Å; S293-I297 PolarHBondContact O-N 2.94Å; S293-I297 VanDerWaalsContact O-N 3.13Å
294	I	88.5	Confident	82.6	Confident	2 Å²	2	49.9 Å²	49.9	1%	0.01	25%	0.252	C	S	.	.	H	α-helix	trans	-62.8	-46.1	178.9	-60.7	168.3	0	0	0	110.8	I277 A290 L291 K296 I297 F298 L324 F339 V340	I277-I294 HydrophobicContact CD1-CB 4.08Å; I277-I294 HydrophobicContact CD1-CG2 3.53Å; A290-I294 WeakPolarHBondContact O-CG1 3.33Å; A290-I294 PolarHBondContact O-N 3.43Å; L291-I294 PolarHBondContact O-N 3.12Å; I294-K296 VanDerWaalsContact C-N 3.27Å; I294-K296 PolarHBondContact O-N 3.3Å; I294-I297 WeakPolarHBondContact O-CB 3.31Å; I294-I297 PolarHBondContact O-N 3.41Å; I294-F298 HydrophobicContact CG2-CD2 4.08Å; I294-F298 HydrophobicContact CG2-CE2 3.77Å; I294-F298 WeakPolarHBondContact O-CD2 3.42Å; I294-F298 PolarHBondContact O-N 3.46Å; I294-L324 HydrophobicContact CG1-CD2 4.03Å; I294-L324 HydrophobicContact CG2-CD2 4.46Å; I294-F339 HydrophobicContact CD1-CB 3.75Å; I294-V340 HydrophobicContact CD1-CG2 4.26Å
295	S	90.5	Very high	84.2	Confident	15 Å²	15	44 Å²	44	11%	0.105	23%	0.226	C	C	.	.	H	α-helix	trans	-59.5	-36.6	176	175.5	0	0	0	0	112.5	L291 S293 I297 F298 N299	L291-S295 WeakPolarHBondContact O-CB 3.4Å; L291-S295 PolarHBondContact O-N 3.01Å; S293-S295 PolarHBondContact O-N 3.45Å; S295-I297 VanDerWaalsContact C-N 3.31Å; S295-I297 PolarHBondContact O-N 2.98Å; S295-F298 PolarHBondContact O-N 2.88Å; S295-N299 PolarHBondContact O-N 3.22Å; S295-N299 PolarHBondContact O-ND2 2.78Å
296	K	90	Very high	85.6	Confident	123 Å²	123	40.6 Å²	40.6	54%	0.535	20%	0.199	S	C	.	.	H	α-helix	trans	-65.8	-31.8	174.6	-75.2	171.1	-176.5	179.1	0	113.2	G292 S293 I294 R300	G292-K296 VanDerWaalsContact O-CG 3.26Å; G292-K296 WeakPolarHBondContact O-CG 3.44Å; G292-K296 PolarHBondContact O-N 3.01Å; G292-K296 VanDerWaalsContact O-N 3.16Å; S293-K296 WeakPolarHBondContact O-CB 3.44Å; S293-K296 PolarHBondContact O-N 3.5Å; I294-K296 VanDerWaalsContact C-N 3.27Å; I294-K296 PolarHBondContact O-N 3.3Å; K296-R300 VanDerWaalsContact O-CB 3.31Å; K296-R300 WeakPolarHBondContact O-CB 3.49Å; K296-R300 PolarHBondContact O-N 3.33Å
297	I	90.8	Very high	86.7	Confident	0 Å²	0	39.5 Å²	39.5	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-65.8	-46.2	177.3	-71.5	175.5	0	0	0	110.3	S293 I294 S295 R300 M301 Q320 E323 L324 I327 I347	S293-I297 WeakPolarHBondContact O-CG1 3.32Å; S293-I297 PolarHBondContact O-N 2.94Å; S293-I297 VanDerWaalsContact O-N 3.13Å; I294-I297 WeakPolarHBondContact O-CB 3.31Å; I294-I297 PolarHBondContact O-N 3.41Å; S295-I297 VanDerWaalsContact C-N 3.31Å; S295-I297 PolarHBondContact O-N 2.98Å; I297-R300 WeakPolarHBondContact O-CB 3.36Å; I297-R300 PolarHBondContact O-N 3.24Å; I297-M301 PolarHBondContact O-N 3.31Å; I297-Q320 HydrophobicContact CG2-CB 3.87Å; I297-Q320 HydrophobicContact CG2-CG 3.86Å; I297-Q320 VanDerWaalsContact CG2-OE1 3.3Å; I297-E323 HydrophobicContact CD1-CB 4.37Å; I297-E323 HydrophobicContact CD1-CG 4.05Å; I297-L324 HydrophobicContact CD1-CD2 3.7Å; I297-L324 HydrophobicContact CD1-CG 3.7Å; I297-L324 HydrophobicContact CG2-CD1 4.46Å; I297-I327 HydrophobicContact CD1-CD1 4.11Å; I297-I347 HydrophobicContact CG2-CD1 4.08Å; I297-I347 HydrophobicContact CG2-CG1 4.45Å
298	F	93.8	Very high	87.8	Confident	0 Å²	0	35.6 Å²	35.6	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-68.9	-39.9	177.3	-72	-76.3	0	0	0	112.9	C270 I273 I274 I294 S295 R300 M301 Q302 Q346 I347 L350	C270-F298 HydrophobicContact CB-CB 4.44Å; C270-F298 HydrophobicContact CB-CD1 4.44Å; I273-F298 HydrophobicContact CB-CD1 4.36Å; I273-F298 HydrophobicContact CB-CD2 4.28Å; I273-F298 HydrophobicContact CB-CE2 4.45Å; I273-F298 HydrophobicContact CB-CG 4.26Å; I273-F298 HydrophobicContact CD1-CD1 3.77Å; I273-F298 HydrophobicContact CD1-CE1 3.31Å; I273-F298 HydrophobicContact CD1-CE2 4.32Å; I273-F298 HydrophobicContact CD1-CG 4.45Å; I273-F298 HydrophobicContact CD1-CZ 3.64Å; I273-F298 HydrophobicContact CG2-CD1 4.41Å; I273-F298 HydrophobicContact CG2-CD2 3.56Å; I273-F298 HydrophobicContact CG2-CE1 4.39Å; I273-F298 HydrophobicContact CG2-CE2 3.53Å; I273-F298 HydrophobicContact CG2-CG 4.04Å; I273-F298 HydrophobicContact CG2-CZ 3.98Å; I274-F298 HydrophobicContact CD1-CB 4.02Å; I274-F298 HydrophobicContact CG1-CB 3.69Å; I294-F298 HydrophobicContact CG2-CD2 4.08Å; I294-F298 HydrophobicContact CG2-CE2 3.77Å; I294-F298 WeakPolarHBondContact O-CD2 3.42Å; I294-F298 PolarHBondContact O-N 3.46Å; S295-F298 PolarHBondContact O-N 2.88Å; F298-R300 PolarHBondContact O-N 3.15Å; F298-M301 PolarHBondContact O-N 3.46Å; F298-M301 VanDerWaalsContact O-N 3.15Å; F298-Q302 PolarHBondContact O-N 2.87Å; F298-Q346 HydrophobicContact CE1-CB 3.95Å; F298-Q346 HydrophobicContact CZ-CB 3.79Å; F298-I347 HydrophobicContact CD1-CD1 4.26Å; F298-I347 HydrophobicContact CE1-CD1 3.7Å; F298-I347 HydrophobicContact CE1-CG1 4.14Å; F298-I347 HydrophobicContact CZ-CD1 4.04Å; F298-I347 HydrophobicContact CZ-CG1 4.02Å; F298-L350 HydrophobicContact CE1-CD1 4.28Å
299	N	92.3	Very high	88.6	Confident	59 Å²	59	29 Å²	29	32%	0.316	15%	0.147	S	C	.	.	H	α-helix	trans	-57.3	-39.6	171.6	-85.6	-75.3	0	0	0	111.4	I274 S295 N303	I274-N299 HydrophobicContact CD1-CB 4.34Å; S295-N299 PolarHBondContact O-N 3.22Å; S295-N299 PolarHBondContact O-ND2 2.78Å; N299-N303 WeakPolarHBondContact O-CB 3.32Å; N299-N303 PolarHBondContact O-N 2.88Å; N299-N303 VanDerWaalsContact O-N 3.08Å; N299-N303 PolarHBondContact O-ND2 3.28Å
300	R	90.5	Very high	89.2	Confident	15 Å²	15	22.5 Å²	22.5	6%	0.057	12%	0.119	C	C	.	.	H	α-helix	trans	-65.8	-44.4	177.4	-173.6	-166.2	-54.3	-173.3	10.5	111.2	K296 I297 F298 N303 V304 Q320 E323 Y412 F449	K296-R300 VanDerWaalsContact O-CB 3.31Å; K296-R300 WeakPolarHBondContact O-CB 3.49Å; K296-R300 PolarHBondContact O-N 3.33Å; I297-R300 WeakPolarHBondContact O-CB 3.36Å; I297-R300 PolarHBondContact O-N 3.24Å; F298-R300 PolarHBondContact O-N 3.15Å; R300-N303 PolarHBondContact O-N 2.95Å; R300-V304 WeakPolarHBondContact O-CG2 3.47Å; R300-V304 PolarHBondContact O-N 2.87Å; R300-Q320 VanDerWaalsContact NH1-NE2 3.15Å; R300-E323 IonicContact CZ-OE2 2.75Å; R300-E323 IonicContact NH1-OE2 3.22Å; R300-E323 PolarHBondContact NH1-OE2 3.41Å; R300-E323 IonicContact NH2-OE1 3.93Å; R300-E323 PolarHBondContact NH2-OE1 2.98Å; R300-E323 IonicContact NH2-OE2 3.02Å; R300-E323 PolarHBondContact NH2-OE2 3.48Å; R300-E323 VanDerWaalsContact NH2-OE2 3.16Å; R300-Y412 HydrophobicContact CG-CD1 4.23Å; R300-Y412 HydrophobicContact CG-CD2 4.36Å; R300-Y412 HydrophobicContact CG-CE1 4.16Å; R300-Y412 HydrophobicContact CG-CE2 4.35Å; R300-Y412 HydrophobicContact CG-CG 4.26Å; R300-F449 HydrophobicContact CG-CE2 4.23Å; R300-F449 HydrophobicContact CG-CZ 4.04Å; R300-F449 VanDerWaalsContact CZ-CD2 3.41Å; R300-F449 VanDerWaalsContact NH1-CZ 3.35Å
301	M	93.2	Very high	89.9	Confident	2 Å²	2	23.7 Å²	23.7	1%	0.01	12%	0.121	C	C	.	.	H	α-helix	trans	-58.9	-49.4	177.4	-76.4	-56.5	-53.5	0	0	112	I297 F298 N303 V304 V305 A313 A316 C317 Q320 I347	I297-M301 PolarHBondContact O-N 3.31Å; F298-M301 PolarHBondContact O-N 3.46Å; F298-M301 VanDerWaalsContact O-N 3.15Å; M301-N303 VanDerWaalsContact C-N 3.32Å; M301-N303 PolarHBondContact O-N 3.38Å; M301-V304 PolarHBondContact O-N 3.23Å; M301-V304 VanDerWaalsContact O-N 3.09Å; M301-V305 WeakPolarHBondContact O-CG2 3.46Å; M301-V305 PolarHBondContact O-N 2.94Å; M301-A313 HydrophobicContact CE-CB 4.2Å; M301-A316 HydrophobicContact CE-CB 4.48Å; M301-A316 HydrophobicContact SD-CB 3.83Å; M301-C317 WeakPolarHBondContact CE-SG 3.48Å; M301-Q320 HydrophobicContact CG-CG 4.15Å; M301-Q320 HydrophobicContact SD-CG 3.82Å; M301-I347 HydrophobicContact CG-CD1 3.85Å
302	Q	91.3	Very high	90.4	Very high	30 Å²	30	23.3 Å²	23.3	14%	0.14	12%	0.12	C	C	.	.	H	α-helix	trans	-53.8	-50.7	174.8	-174.4	179.8	27.5	0	0	110.9	T267 C270 F298 V304 V305 D306	T267-Q302 HydrophobicContact CG2-CG 3.83Å; C270-Q302 HydrophobicContact CB-CB 4.22Å; F298-Q302 PolarHBondContact O-N 2.87Å; Q302-V304 VanDerWaalsContact C-N 3.31Å; Q302-V304 PolarHBondContact O-N 3.23Å; Q302-V305 PolarHBondContact O-N 3.33Å; Q302-D306 PolarHBondContact O-N 3.44Å
303	N	90.3	Very high	90.7	Very high	37 Å²	37	22.6 Å²	22.6	20%	0.198	11%	0.112	C	C	.	.	H	α-helix	trans	-60.5	-36	177.7	-83.7	-69.2	0	0	0	113.9	N299 R300 M301 H307 R410 Y412	N299-N303 WeakPolarHBondContact O-CB 3.32Å; N299-N303 PolarHBondContact O-N 2.88Å; N299-N303 VanDerWaalsContact O-N 3.08Å; N299-N303 PolarHBondContact O-ND2 3.28Å; R300-N303 PolarHBondContact O-N 2.95Å; M301-N303 VanDerWaalsContact C-N 3.32Å; M301-N303 PolarHBondContact O-N 3.38Å; N303-H307 VanDerWaalsContact O-CB 3.28Å; N303-H307 WeakPolarHBondContact O-CB 3.34Å; N303-H307 PolarHBondContact O-N 3.12Å; N303-H307 VanDerWaalsContact O-N 3.1Å; N303-H307 PolarHBondContact O-ND1 3.3Å; N303-R410 VanDerWaalsContact CB-NH1 3.31Å; N303-R410 PolarHBondContact OD1-NH1 3.45Å; N303-R410 PolarHBondContact OD1-NH2 3.34Å; N303-Y412 WeakPolarHBondContact CB-OH 3.46Å
304	V	92.1	Very high	91.1	Very high	1 Å²	1	22 Å²	22	1%	0.006	11%	0.106	C	C	.	.	H	α-helix	trans	-67.3	-46	177	170.8	0	0	0	0	110.4	R300 M301 Q302 L308 G309 P312 A313 A316 Y412 L416	R300-V304 WeakPolarHBondContact O-CG2 3.47Å; R300-V304 PolarHBondContact O-N 2.87Å; M301-V304 PolarHBondContact O-N 3.23Å; M301-V304 VanDerWaalsContact O-N 3.09Å; Q302-V304 VanDerWaalsContact C-N 3.31Å; Q302-V304 PolarHBondContact O-N 3.23Å; V304-L308 HydrophobicContact CG1-CB 4.44Å; V304-L308 HydrophobicContact CG1-CD1 4.37Å; V304-L308 WeakPolarHBondContact O-CA 3.28Å; V304-L308 WeakPolarHBondContact O-CB 3.46Å; V304-L308 PolarHBondContact O-N 2.99Å; V304-G309 PolarHBondContact O-N 2.95Å; V304-P312 HydrophobicContact CG1-CB 4.07Å; V304-A313 HydrophobicContact CG1-CB 4Å; V304-A316 HydrophobicContact CG1-CB 4.25Å; V304-A316 HydrophobicContact CG2-CB 4.33Å; V304-Y412 HydrophobicContact CG2-CD2 3.49Å; V304-Y412 VanDerWaalsContact CG2-CD2 3.49Å; V304-Y412 HydrophobicContact CG2-CE2 3.43Å; V304-Y412 VanDerWaalsContact CG2-CE2 3.43Å; V304-L416 HydrophobicContact CB-CD1 4.42Å; V304-L416 HydrophobicContact CG1-CD1 3.8Å; V304-L416 HydrophobicContact CG2-CD1 3.62Å
305	V	90.6	Very high	91.3	Very high	3 Å²	3	25.1 Å²	25.1	2%	0.018	12%	0.12	C	C	.	.	H	α-helix	trans	-57.3	-52.9	177.5	173.7	0	0	0	0	109.6	E263 L266 M301 Q302 H307 G309 L310 A313	E263-V305 HydrophobicContact CB-CG1 4.12Å; E263-V305 HydrophobicContact CG-CG1 3.79Å; L266-V305 HydrophobicContact CB-CG2 4.5Å; L266-V305 HydrophobicContact CD1-CG2 4.38Å; M301-V305 WeakPolarHBondContact O-CG2 3.46Å; M301-V305 PolarHBondContact O-N 2.94Å; Q302-V305 PolarHBondContact O-N 3.33Å; V305-H307 PolarHBondContact O-N 2.95Å; V305-G309 VanDerWaalsContact O-CA 3.31Å; V305-G309 WeakPolarHBondContact O-CA 3.33Å; V305-G309 PolarHBondContact O-N 2.86Å; V305-L310 HydrophobicContact CG1-CD2 4.34Å; V305-A313 HydrophobicContact CG2-CB 3.69Å
306	D	86.1	Confident	91.4	Very high	52 Å²	52	24.6 Å²	24.6	28%	0.278	12%	0.116	S	C	.	.	H	α-helix	trans	-65.3	-37.6	-175.1	-60.8	-17	0	0	0	113.4	T267 Q302	T267-D306 PolarHBondContact OG1-OD1 2.85Å; T267-D306 VanDerWaalsContact OG1-OD1 3.13Å; Q302-D306 PolarHBondContact O-N 3.44Å
307	H	86.2	Confident	91.6	Very high	66 Å²	66	18.8 Å²	18.8	31%	0.306	9%	0.091	S	C	.	.	H	α-helix	trans	-99.8	-28.8	-170.3	-65	71	0	0	0	114.1	N303 V305 S372	N303-H307 VanDerWaalsContact O-CB 3.28Å; N303-H307 WeakPolarHBondContact O-CB 3.34Å; N303-H307 PolarHBondContact O-N 3.12Å; N303-H307 VanDerWaalsContact O-N 3.1Å; N303-H307 PolarHBondContact O-ND1 3.3Å; V305-H307 PolarHBondContact O-N 2.95Å; H307-S372 WeakPolarHBondContact O-CB 3.47Å; H307-S372 PolarHBondContact O-OG 3.29Å
308	L	91.1	Very high	91.5	Very high	1 Å²	1	21.1 Å²	21.1	1%	0.005	10%	0.103	C	C	.	.	H	α-helix	trans	-119.2	-24.3	-173.2	-56.7	177.6	0	0	0	112.8	V304 P312 S372 L375 T413 L416 I417 F496	V304-L308 HydrophobicContact CG1-CB 4.44Å; V304-L308 HydrophobicContact CG1-CD1 4.37Å; V304-L308 WeakPolarHBondContact O-CA 3.28Å; V304-L308 WeakPolarHBondContact O-CB 3.46Å; V304-L308 PolarHBondContact O-N 2.99Å; L308-P312 HydrophobicContact CB-CB 3.74Å; L308-P312 HydrophobicContact CB-CG 3.83Å; L308-P312 HydrophobicContact CD1-CB 4.24Å; L308-S372 PolarHBondContact O-N 2.66Å; L308-L375 HydrophobicContact CB-CD2 4.17Å; L308-L375 HydrophobicContact CD2-CD2 4.28Å; L308-L375 WeakPolarHBondContact O-CD2 3.37Å; L308-T413 HydrophobicContact CD1-CG2 4.11Å; L308-T413 HydrophobicContact CD2-CG2 3.83Å; L308-T413 HydrophobicContact CG-CG2 4.5Å; L308-L416 HydrophobicContact CD1-CB 4.04Å; L308-L416 HydrophobicContact CD1-CD1 3.76Å; L308-I417 HydrophobicContact CD2-CG1 4.43Å; L308-F496 HydrophobicContact CD2-CE1 4.07Å; L308-F496 HydrophobicContact CD2-CZ 4Å
309	G	91	Very high	91.1	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	12%	0.115	C	C	.	.	B	Isolated β-bridge	trans	95.5	-167.8	-179.9	0	0	0	0	0	113.8	V304 V305 A313	V304-G309 PolarHBondContact O-N 2.95Å; V305-G309 VanDerWaalsContact O-CA 3.31Å; V305-G309 WeakPolarHBondContact O-CA 3.33Å; V305-G309 PolarHBondContact O-N 2.86Å; G309-A313 WeakPolarHBondContact O-CB 3.48Å; G309-A313 PolarHBondContact O-N 3.25Å
310	L	91.8	Very high	91	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-78.3	-37.7	-166.1	-57.3	-177	0	0	0	114	Y259 L262 L266 V305 A313 L314 L354 V358 Y370	Y259-L310 HydrophobicContact CD1-CD1 4.37Å; Y259-L310 HydrophobicContact CD2-CD1 3.76Å; Y259-L310 HydrophobicContact CD2-CD2 4.21Å; Y259-L310 HydrophobicContact CD2-CG 3.81Å; Y259-L310 HydrophobicContact CE2-CG 4.21Å; Y259-L310 HydrophobicContact CG-CD1 3.62Å; Y259-L310 HydrophobicContact CG-CG 4.15Å; L262-L310 HydrophobicContact CD2-CD1 3.79Å; L266-L310 HydrophobicContact CD1-CD2 3.71Å; V305-L310 HydrophobicContact CG1-CD2 4.34Å; L310-A313 WeakPolarHBondContact O-CB 3.24Å; L310-A313 PolarHBondContact O-N 3.43Å; L310-L314 PolarHBondContact O-N 3.38Å; L310-L354 HydrophobicContact CB-CD2 3.94Å; L310-L354 HydrophobicContact CD2-CD2 3.87Å; L310-L354 HydrophobicContact CG-CD2 4.42Å; L310-V358 HydrophobicContact CB-CG2 3.78Å; L310-Y370 HydrophobicContact CD1-CD1 4.22Å; L310-Y370 PolarHBondContact N-O 2.92Å
311	W	92.8	Very high	91.1	Very high	32 Å²	32	21.5 Å²	21.5	12%	0.121	11%	0.105	C	C	.	.	H	α-helix	trans	-62.9	-49.6	178.5	-168.3	108.6	0	0	0	111.9	A313 L314 K315 V358 L367 Y370 V371 L420 A423 W427	W311-A313 PolarHBondContact O-N 2.86Å; W311-L314 PolarHBondContact O-N 3.14Å; W311-K315 HydrophobicContact CZ3-CB 4.3Å; W311-K315 PolarHBondContact O-N 2.92Å; W311-V358 HydrophobicContact CB-CG1 3.53Å; W311-V358 HydrophobicContact CG-CG1 3.68Å; W311-L367 HydrophobicContact CB-CD1 3.82Å; W311-L367 HydrophobicContact CG-CD1 3.82Å; W311-Y370 PolarHBondContact N-O 2.83Å; W311-V371 HydrophobicContact CB-CG1 4.5Å; W311-L420 HydrophobicContact CD2-CD1 3.71Å; W311-L420 HydrophobicContact CE3-CB 4.21Å; W311-L420 HydrophobicContact CE3-CD1 3.37Å; W311-L420 HydrophobicContact CE3-CG 4.35Å; W311-L420 HydrophobicContact CG-CD1 4.31Å; W311-L420 HydrophobicContact CH2-CD1 4.18Å; W311-L420 HydrophobicContact CZ2-CD1 4.47Å; W311-L420 HydrophobicContact CZ3-CB 3.84Å; W311-L420 HydrophobicContact CZ3-CD1 3.64Å; W311-L420 HydrophobicContact CZ3-CG 4.36Å; W311-A423 HydrophobicContact CH2-CB 3.56Å; W311-A423 HydrophobicContact CZ2-CB 3.55Å; W311-W427 AromaticContact CD1-CH2 3.89Å; W311-W427 HydrophobicContact CD2-CH2 4.46Å; W311-W427 AromaticContact CE2-CH2 3.61Å; W311-W427 AromaticContact CE2-CZ2 3.84Å; W311-W427 AromaticContact CZ2-CH2 3.87Å; W311-W427 HydrophobicContact CZ2-CH2 3.87Å; W311-W427 AromaticContact CZ2-CZ2 3.79Å; W311-W427 HydrophobicContact CZ2-CZ2 3.79Å; W311-W427 AromaticContact NE1-CH2 3.26Å; W311-W427 VanDerWaalsContact NE1-CH2 3.26Å; W311-W427 AromaticContact NE1-CZ2 3.48Å
312	P	93.2	Very high	90.9	Very high	1 Å²	1	27.2 Å²	27.2	1%	0.006	13%	0.132	C	C	.	.	H	α-helix	trans	-61	-33.2	173.4	-27.3	40.4	0	0	0	112.7	V304 L308 K315 A316 L375 L416	V304-P312 HydrophobicContact CG1-CB 4.07Å; L308-P312 HydrophobicContact CB-CB 3.74Å; L308-P312 HydrophobicContact CB-CG 3.83Å; L308-P312 HydrophobicContact CD1-CB 4.24Å; P312-K315 PolarHBondContact O-N 3.27Å; P312-A316 WeakPolarHBondContact O-CB 3.28Å; P312-A316 PolarHBondContact O-N 2.99Å; P312-L375 HydrophobicContact CG-CD2 3.78Å; P312-L416 HydrophobicContact CB-CB 4.33Å; P312-L416 HydrophobicContact CB-CD1 4.35Å
313	A	93.6	Very high	90.7	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-62.7	-42	175	0	0	0	0	0	112.2	M301 V304 V305 G309 L310 W311 K315 A316 C317 L354	M301-A313 HydrophobicContact CE-CB 4.2Å; V304-A313 HydrophobicContact CG1-CB 4Å; V305-A313 HydrophobicContact CG2-CB 3.69Å; G309-A313 WeakPolarHBondContact O-CB 3.48Å; G309-A313 PolarHBondContact O-N 3.25Å; L310-A313 WeakPolarHBondContact O-CB 3.24Å; L310-A313 PolarHBondContact O-N 3.43Å; W311-A313 PolarHBondContact O-N 2.86Å; A313-K315 VanDerWaalsContact C-N 3.33Å; A313-K315 PolarHBondContact O-N 2.75Å; A313-A316 WeakPolarHBondContact O-CB 3.35Å; A313-A316 PolarHBondContact O-N 3.47Å; A313-A316 VanDerWaalsContact O-N 3.17Å; A313-C317 PolarHBondContact O-N 3.27Å; A313-C317 PolarHBondContact O-SG 3.04Å; A313-C317 VanDerWaalsContact O-SG 3.4Å; A313-L354 HydrophobicContact CB-CD1 3.89Å; A313-L354 HydrophobicContact CB-CD2 4.23Å
314	L	94.2	Very high	90.6	Very high	22 Å²	22	25.4 Å²	25.4	12%	0.115	12%	0.122	C	C	.	.	H	α-helix	trans	-61	-43.7	176.4	176.7	60.1	0	0	0	111.4	L310 W311 A316 C317 K351 L354 E355 V358	L310-L314 PolarHBondContact O-N 3.38Å; W311-L314 PolarHBondContact O-N 3.14Å; L314-A316 VanDerWaalsContact C-N 3.34Å; L314-C317 WeakPolarHBondContact O-CB 3.35Å; L314-C317 PolarHBondContact O-N 2.94Å; L314-K351 HydrophobicContact CD1-CG 3.93Å; L314-L354 HydrophobicContact CB-CB 4.15Å; L314-L354 HydrophobicContact CD1-CB 4.04Å; L314-E355 HydrophobicContact CD1-CG 3.69Å; L314-E355 HydrophobicContact CD2-CG 4.39Å; L314-V358 HydrophobicContact CD2-CB 4.44Å
315	K	91.4	Very high	90.5	Very high	69 Å²	69	27 Å²	27	30%	0.3	14%	0.135	S	C	.	.	H	α-helix	trans	-64.8	-41.2	176	-174.6	61.3	178.8	173.4	0	111	W311 P312 A313 C317 N318 Y415 L416 A419	W311-K315 HydrophobicContact CZ3-CB 4.3Å; W311-K315 PolarHBondContact O-N 2.92Å; P312-K315 PolarHBondContact O-N 3.27Å; A313-K315 VanDerWaalsContact C-N 3.33Å; A313-K315 PolarHBondContact O-N 2.75Å; K315-C317 VanDerWaalsContact C-N 3.32Å; K315-C317 PolarHBondContact O-N 3.16Å; K315-N318 PolarHBondContact O-N 3.02Å; K315-Y415 WeakPolarHBondContact CE-OH 3.34Å; K315-L416 HydrophobicContact CB-CD2 4.16Å; K315-L416 HydrophobicContact CG-CD2 4.12Å; K315-A419 HydrophobicContact CG-CB 4.34Å
316	A	92.4	Very high	90.3	Very high	4 Å²	4	28 Å²	28	3%	0.033	14%	0.144	C	C	.	.	H	α-helix	trans	-60.5	-38.1	176.5	0	0	0	0	0	112.4	M301 V304 P312 A313 L314 N318 E319 Q320 L416	M301-A316 HydrophobicContact CE-CB 4.48Å; M301-A316 HydrophobicContact SD-CB 3.83Å; V304-A316 HydrophobicContact CG1-CB 4.25Å; V304-A316 HydrophobicContact CG2-CB 4.33Å; P312-A316 WeakPolarHBondContact O-CB 3.28Å; P312-A316 PolarHBondContact O-N 2.99Å; A313-A316 WeakPolarHBondContact O-CB 3.35Å; A313-A316 PolarHBondContact O-N 3.47Å; A313-A316 VanDerWaalsContact O-N 3.17Å; L314-A316 VanDerWaalsContact C-N 3.34Å; A316-N318 VanDerWaalsContact C-N 3.28Å; A316-N318 PolarHBondContact O-N 3Å; A316-E319 PolarHBondContact O-N 3.11Å; A316-E319 VanDerWaalsContact O-N 3.17Å; A316-Q320 VanDerWaalsContact O-CG 3.31Å; A316-Q320 WeakPolarHBondContact O-CG 3.36Å; A316-Q320 PolarHBondContact O-N 2.81Å; A316-L416 HydrophobicContact CB-CD1 4.2Å; A316-L416 HydrophobicContact CB-CD2 4.18Å
317	C	93.8	Very high	90.3	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-55	-42.2	175.7	-73	0	0	0	0	112.6	M301 A313 L314 K315 E319 Q320 L321 I347 K351	M301-C317 WeakPolarHBondContact CE-SG 3.48Å; A313-C317 PolarHBondContact O-N 3.27Å; A313-C317 PolarHBondContact O-SG 3.04Å; A313-C317 VanDerWaalsContact O-SG 3.4Å; L314-C317 WeakPolarHBondContact O-CB 3.35Å; L314-C317 PolarHBondContact O-N 2.94Å; K315-C317 VanDerWaalsContact C-N 3.32Å; K315-C317 PolarHBondContact O-N 3.16Å; C317-E319 PolarHBondContact O-N 2.85Å; C317-Q320 PolarHBondContact O-N 3.29Å; C317-L321 VanDerWaalsContact O-CG 3.28Å; C317-L321 WeakPolarHBondContact O-CG 2.96Å; C317-L321 PolarHBondContact O-N 3.05Å; C317-I347 HydrophobicContact CB-CG2 4.09Å; C317-K351 HydrophobicContact CB-CB 3.93Å; C317-K351 HydrophobicContact CB-CG 4.34Å
318	N	90.2	Very high	90.2	Very high	49 Å²	49	24.2 Å²	24.2	26%	0.262	13%	0.129	S	C	.	.	H	α-helix	trans	-61.4	-45.5	178.9	-66.1	-43.9	0	0	0	111.5	K315 A316 Q320 L321 E322 K351	K315-N318 PolarHBondContact O-N 3.02Å; A316-N318 VanDerWaalsContact C-N 3.28Å; A316-N318 PolarHBondContact O-N 3Å; N318-Q320 PolarHBondContact O-N 3.22Å; N318-L321 PolarHBondContact O-N 3.45Å; N318-E322 PolarHBondContact O-N 3.19Å; N318-K351 WeakPolarHBondContact OD1-CE 3.4Å; N318-K351 PolarHBondContact OD1-NZ 3.06Å
319	E	85.7	Confident	90	Very high	51 Å²	51	33.2 Å²	33.2	24%	0.238	16%	0.163	C	C	.	.	H	α-helix	trans	-64.1	-40.7	176.9	-55.5	-62.2	150.6	0	0	111.8	A316 C317 L321 E322 E323 Y415	A316-E319 PolarHBondContact O-N 3.11Å; A316-E319 VanDerWaalsContact O-N 3.17Å; C317-E319 PolarHBondContact O-N 2.85Å; E319-L321 VanDerWaalsContact C-N 3.31Å; E319-L321 PolarHBondContact O-N 2.98Å; E319-E322 PolarHBondContact O-N 2.89Å; E319-E323 PolarHBondContact O-N 2.84Å; E319-Y415 HydrophobicContact CG-CE1 3.8Å; E319-Y415 PolarHBondContact OE1-OH 3.4Å
320	Q	90.1	Very high	89.7	Confident	4 Å²	4	38.4 Å²	38.4	2%	0.019	19%	0.194	C	C	.	.	H	α-helix	trans	-67.1	-32.8	179.2	-64.6	-39.8	-83.9	0	0	112	I297 R300 M301 A316 C317 N318 E323 L324 I347	I297-Q320 HydrophobicContact CG2-CB 3.87Å; I297-Q320 HydrophobicContact CG2-CG 3.86Å; I297-Q320 VanDerWaalsContact CG2-OE1 3.3Å; R300-Q320 VanDerWaalsContact NH1-NE2 3.15Å; M301-Q320 HydrophobicContact CG-CG 4.15Å; M301-Q320 HydrophobicContact SD-CG 3.82Å; A316-Q320 VanDerWaalsContact O-CG 3.31Å; A316-Q320 WeakPolarHBondContact O-CG 3.36Å; A316-Q320 PolarHBondContact O-N 2.81Å; C317-Q320 PolarHBondContact O-N 3.29Å; N318-Q320 PolarHBondContact O-N 3.22Å; Q320-E323 PolarHBondContact O-N 3.25Å; Q320-L324 WeakPolarHBondContact O-CB 3.38Å; Q320-L324 WeakPolarHBondContact O-CG 3.31Å; Q320-L324 PolarHBondContact O-N 2.71Å; Q320-I347 HydrophobicContact CB-CD1 4.27Å; Q320-I347 HydrophobicContact CB-CG1 4.45Å; Q320-I347 HydrophobicContact CB-CG2 4.25Å
321	L	92.6	Very high	89.2	Confident	27 Å²	27	39.5 Å²	39.5	14%	0.141	20%	0.204	C	C	.	.	H	α-helix	trans	-64.7	-41.6	173.5	-71.3	169.9	0	0	0	111.6	C317 N318 E319 A325 L344 I347 R348 K351	C317-L321 VanDerWaalsContact O-CG 3.28Å; C317-L321 WeakPolarHBondContact O-CG 2.96Å; C317-L321 PolarHBondContact O-N 3.05Å; N318-L321 PolarHBondContact O-N 3.45Å; E319-L321 VanDerWaalsContact C-N 3.31Å; E319-L321 PolarHBondContact O-N 2.98Å; L321-A325 VanDerWaalsContact O-CB 3.31Å; L321-A325 WeakPolarHBondContact O-CB 3.49Å; L321-A325 PolarHBondContact O-N 3.07Å; L321-L344 HydrophobicContact CD2-CD2 3.94Å; L321-I347 HydrophobicContact CD1-CG2 4.4Å; L321-I347 HydrophobicContact CD2-CB 3.88Å; L321-I347 HydrophobicContact CD2-CG2 3.64Å; L321-I347 HydrophobicContact CG-CB 4.42Å; L321-I347 HydrophobicContact CG-CG2 3.62Å; L321-R348 HydrophobicContact CD1-CG 4.41Å; L321-R348 HydrophobicContact CD2-CG 3.86Å; L321-K351 HydrophobicContact CD1-CD 4.06Å
322	E	89	Confident	88.5	Confident	123 Å²	123	44.9 Å²	44.9	58%	0.575	24%	0.24	S	C	*	.	H	α-helix	trans	-66.3	-41.7	176.3	-68.4	-176.4	-168.1	0	0	111.9	N318 E319 A325 A326	N318-E322 PolarHBondContact O-N 3.19Å; E319-E322 PolarHBondContact O-N 2.89Å; E322-A325 PolarHBondContact O-N 3.21Å; E322-A326 WeakPolarHBondContact O-CB 3.37Å; E322-A326 PolarHBondContact O-N 2.95Å
323	E	85.9	Confident	87.9	Confident	29 Å²	29	46.3 Å²	46.3	14%	0.136	25%	0.25	C	S	.	.	H	α-helix	trans	-62.9	-45.8	176.1	-170.2	171.5	172.6	0	0	111.4	I297 R300 E319 Q320 A326 I327	I297-E323 HydrophobicContact CD1-CB 4.37Å; I297-E323 HydrophobicContact CD1-CG 4.05Å; R300-E323 IonicContact CZ-OE2 2.75Å; R300-E323 IonicContact NH1-OE2 3.22Å; R300-E323 PolarHBondContact NH1-OE2 3.41Å; R300-E323 IonicContact NH2-OE1 3.93Å; R300-E323 PolarHBondContact NH2-OE1 2.98Å; R300-E323 IonicContact NH2-OE2 3.02Å; R300-E323 PolarHBondContact NH2-OE2 3.48Å; R300-E323 VanDerWaalsContact NH2-OE2 3.16Å; E319-E323 PolarHBondContact O-N 2.84Å; Q320-E323 PolarHBondContact O-N 3.25Å; E323-A326 WeakPolarHBondContact O-CB 3.31Å; E323-A326 PolarHBondContact O-N 3.48Å; E323-I327 WeakPolarHBondContact O-CG1 3.38Å; E323-I327 PolarHBondContact O-N 3.18Å
324	L	89.7	Confident	87.5	Confident	0 Å²	0	52.7 Å²	52.7	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-63.3	-41.9	175.7	-77.6	166.6	0	0	0	112.3	I294 I297 Q320 A326 I327 G328 V340 L344 I347	I294-L324 HydrophobicContact CG1-CD2 4.03Å; I294-L324 HydrophobicContact CG2-CD2 4.46Å; I297-L324 HydrophobicContact CD1-CD2 3.7Å; I297-L324 HydrophobicContact CD1-CG 3.7Å; I297-L324 HydrophobicContact CG2-CD1 4.46Å; Q320-L324 WeakPolarHBondContact O-CB 3.38Å; Q320-L324 WeakPolarHBondContact O-CG 3.31Å; Q320-L324 PolarHBondContact O-N 2.71Å; L324-A326 VanDerWaalsContact C-N 3.28Å; L324-A326 PolarHBondContact O-N 3.19Å; L324-I327 PolarHBondContact O-N 2.87Å; L324-G328 PolarHBondContact O-N 3.35Å; L324-V340 WeakPolarHBondContact O-CG1 3.46Å; L324-L344 HydrophobicContact CB-CD2 3.58Å; L324-L344 HydrophobicContact CB-CG 3.97Å; L324-L344 HydrophobicContact CD1-CD2 4.31Å; L324-I347 HydrophobicContact CD1-CB 4.36Å; L324-I347 HydrophobicContact CD1-CG1 3.67Å
325	A	89.9	Confident	86.8	Confident	35 Å²	35	55.8 Å²	55.8	29%	0.289	30%	0.298	S	S	.	.	H	α-helix	trans	-63.2	-36.2	176.3	0	0	0	0	0	111.7	L321 E322 G328 R329	L321-A325 VanDerWaalsContact O-CB 3.31Å; L321-A325 WeakPolarHBondContact O-CB 3.49Å; L321-A325 PolarHBondContact O-N 3.07Å; E322-A325 PolarHBondContact O-N 3.21Å; A325-G328 PolarHBondContact O-N 3.09Å; A325-R329 WeakPolarHBondContact O-CG 3.37Å; A325-R329 PolarHBondContact O-N 2.88Å; A325-R329 VanDerWaalsContact O-N 3.09Å
326	A	86.5	Confident	86.4	Confident	24 Å²	24	53 Å²	53	20%	0.198	29%	0.287	C	S	.	.	H	α-helix	trans	-65.9	-42.4	174.1	0	0	0	0	0	112.4	E322 E323 L324 G328 R329 T330 A451	E322-A326 WeakPolarHBondContact O-CB 3.37Å; E322-A326 PolarHBondContact O-N 2.95Å; E323-A326 WeakPolarHBondContact O-CB 3.31Å; E323-A326 PolarHBondContact O-N 3.48Å; L324-A326 VanDerWaalsContact C-N 3.28Å; L324-A326 PolarHBondContact O-N 3.19Å; A326-G328 VanDerWaalsContact C-N 3.31Å; A326-G328 PolarHBondContact O-N 2.99Å; A326-R329 PolarHBondContact O-N 3.15Å; A326-T330 PolarHBondContact O-N 3.42Å; A326-A451 HydrophobicContact CB-CB 4.44Å
327	I	84.9	Confident	86.2	Confident	24 Å²	24	57 Å²	57	12%	0.123	31%	0.306	C	S	.	.	H	α-helix	trans	-59.9	-44.5	174.1	-65.1	164.9	0	0	0	110	I297 E323 L324 R329 T330 A331 V340	I297-I327 HydrophobicContact CD1-CD1 4.11Å; E323-I327 WeakPolarHBondContact O-CG1 3.38Å; E323-I327 PolarHBondContact O-N 3.18Å; L324-I327 PolarHBondContact O-N 2.87Å; I327-R329 VanDerWaalsContact C-N 3.32Å; I327-R329 PolarHBondContact O-N 2.89Å; I327-T330 CarbonylContact O-C 3.57Å; I327-T330 PolarHBondContact O-N 2.97Å; I327-T330 PolarHBondContact O-OG1 3.46Å; I327-A331 PolarHBondContact O-N 3.13Å; I327-A331 VanDerWaalsContact O-N 3.08Å; I327-V340 HydrophobicContact CB-CG2 4.48Å; I327-V340 HydrophobicContact CG2-CG2 3.84Å
328	G	85.5	Confident	85.9	Confident	14 Å²	14	60.7 Å²	60.7	14%	0.144	33%	0.332	C	S	.	.	H	α-helix	trans	-57.8	-39.6	176.4	0	0	0	0	0	113.7	L324 A325 A326 T330 A331	L324-G328 PolarHBondContact O-N 3.35Å; A325-G328 PolarHBondContact O-N 3.09Å; A326-G328 VanDerWaalsContact C-N 3.31Å; A326-G328 PolarHBondContact O-N 2.99Å; G328-T330 PolarHBondContact O-N 2.99Å; G328-A331 PolarHBondContact O-N 3.19Å
329	R	86.7	Confident	85.9	Confident	190 Å²	190	59.8 Å²	59.8	72%	0.717	33%	0.326	S	S	*	.	H	α-helix	trans	-64	-22.4	175.6	-72	-172.3	-66	-91.5	5.8	113.8	A325 A326 I327	A325-R329 WeakPolarHBondContact O-CG 3.37Å; A325-R329 PolarHBondContact O-N 2.88Å; A325-R329 VanDerWaalsContact O-N 3.09Å; A326-R329 PolarHBondContact O-N 3.15Å; I327-R329 VanDerWaalsContact C-N 3.32Å; I327-R329 PolarHBondContact O-N 2.89Å
330	T	83.2	Confident	86.1	Confident	108 Å²	108	57.6 Å²	57.6	66%	0.663	32%	0.316	S	S	*	.	H	α-helix	trans	-100.5	-7	178.8	58.9	0	0	0	0	113.8	A326 I327 G328	A326-T330 PolarHBondContact O-N 3.42Å; I327-T330 CarbonylContact O-C 3.57Å; I327-T330 PolarHBondContact O-N 2.97Å; I327-T330 PolarHBondContact O-OG1 3.46Å; G328-T330 PolarHBondContact O-N 2.99Å
331	A	81.1	Confident	86.3	Confident	24 Å²	24	59.7 Å²	59.7	20%	0.198	33%	0.334	C	S	.	.			trans	-75.3	130.9	-178	0	0	0	0	0	110.3	I327 G328 T336 M337	I327-A331 PolarHBondContact O-N 3.13Å; I327-A331 VanDerWaalsContact O-N 3.08Å; G328-A331 PolarHBondContact O-N 3.19Å; A331-T336 HydrophobicContact CB-CG2 3.66Å; A331-M337 HydrophobicContact CB-CG 4.08Å; A331-M337 HydrophobicContact CB-SD 3.71Å
332	T	78	Confident	86.3	Confident	144 Å²	144	60.9 Å²	60.9	88%	0.883	34%	0.34	S	S	*	.			trans	-107.1	-10.3	-178.5	57.1	0	0	0	0	113.4
333	S	82.5	Confident	86.5	Confident	32 Å²	32	55.1 Å²	55.1	22%	0.224	31%	0.314	C	S	.	.	S	Bend	trans	-113.8	143.5	-177.5	102.1	0	0	0	0	111.3	E335 T336 M337	S333-E335 VanDerWaalsContact CB-OE2 3.29Å; S333-E335 WeakPolarHBondContact CB-OE2 3.31Å; S333-E335 PolarHBondContact O-N 3.5Å; S333-E335 PolarHBondContact OG-OE2 3.32Å; S333-T336 PolarHBondContact O-N 3.05Å; S333-T336 VanDerWaalsContact O-N 3.17Å; S333-T336 WeakPolarHBondContact OG-CB 3.16Å; S333-T336 PolarHBondContact OG-N 3.16Å; S333-T336 VanDerWaalsContact OG-N 3.09Å; S333-T336 PolarHBondContact OG-OG1 2.88Å; S333-M337 WeakPolarHBondContact O-CG 3.13Å; S333-M337 PolarHBondContact O-N 3.36Å
334	D	83.4	Confident	86.9	Confident	133 Å²	133	55.1 Å²	55.1	71%	0.711	32%	0.315	S	S	*	.	H	α-helix	trans	-62.6	-33.4	-179.6	-69.6	-18.1	0	0	0	111.7	M337 S338	D334-M337 WeakPolarHBondContact O-CB 3.44Å; D334-M337 PolarHBondContact O-N 3.18Å; D334-S338 PolarHBondContact O-N 3.15Å; D334-S338 PolarHBondContact O-OG 3.3Å
335	E	80.6	Confident	87.2	Confident	87 Å²	87	58.4 Å²	58.4	41%	0.407	34%	0.335	S	S	.	.	H	α-helix	trans	-68.1	-44.3	175.8	-52.1	77.6	-171.4	0	0	110.7	Y286 S333 M337 S338 F339	Y286-E335 HydrophobicContact CE1-CG 4.4Å; S333-E335 VanDerWaalsContact CB-OE2 3.29Å; S333-E335 WeakPolarHBondContact CB-OE2 3.31Å; S333-E335 PolarHBondContact O-N 3.5Å; S333-E335 PolarHBondContact OG-OE2 3.32Å; E335-M337 VanDerWaalsContact C-N 3.26Å; E335-M337 PolarHBondContact O-N 3.32Å; E335-S338 WeakPolarHBondContact O-CA 3.4Å; E335-S338 VanDerWaalsContact O-CB 3.31Å; E335-S338 WeakPolarHBondContact O-CB 3.24Å; E335-S338 PolarHBondContact O-N 3.15Å; E335-F339 WeakPolarHBondContact O-CD2 3.4Å; E335-F339 PolarHBondContact O-N 3.33Å
336	T	82.6	Confident	87.4	Confident	12 Å²	12	59.3 Å²	59.3	7%	0.074	33%	0.333	C	S	.	.	H	α-helix	trans	-61.3	-41.3	176.7	-54	0	0	0	0	110.1	A290 A331 S333 S338 F339 V340	A290-T336 HydrophobicContact CB-CG2 3.62Å; A331-T336 HydrophobicContact CB-CG2 3.66Å; S333-T336 PolarHBondContact O-N 3.05Å; S333-T336 VanDerWaalsContact O-N 3.17Å; S333-T336 WeakPolarHBondContact OG-CB 3.16Å; S333-T336 PolarHBondContact OG-N 3.16Å; S333-T336 VanDerWaalsContact OG-N 3.09Å; S333-T336 PolarHBondContact OG-OG1 2.88Å; T336-S338 VanDerWaalsContact C-N 3.31Å; T336-S338 PolarHBondContact O-N 3.16Å; T336-F339 PolarHBondContact O-N 2.74Å; T336-V340 WeakPolarHBondContact O-CG2 3.34Å; T336-V340 PolarHBondContact O-N 2.58Å
337	M	87.6	Confident	87.8	Confident	86 Å²	86	58.1 Å²	58.1	42%	0.424	32%	0.323	S	S	.	.	H	α-helix	trans	-61.4	-38.8	173.2	-74.3	-63.3	-72.3	0	0	112.3	A331 S333 D334 E335 V340 A341	A331-M337 HydrophobicContact CB-CG 4.08Å; A331-M337 HydrophobicContact CB-SD 3.71Å; S333-M337 WeakPolarHBondContact O-CG 3.13Å; S333-M337 PolarHBondContact O-N 3.36Å; D334-M337 WeakPolarHBondContact O-CB 3.44Å; D334-M337 PolarHBondContact O-N 3.18Å; E335-M337 VanDerWaalsContact C-N 3.26Å; E335-M337 PolarHBondContact O-N 3.32Å; M337-V340 PolarHBondContact O-N 3.48Å; M337-A341 WeakPolarHBondContact O-CB 3.47Å; M337-A341 PolarHBondContact O-N 3.25Å
338	S	89.2	Confident	88.3	Confident	78 Å²	78	64.1 Å²	64.1	55%	0.545	34%	0.344	S	S	.	.	H	α-helix	trans	-63.1	-41.8	175	-59.1	0	0	0	0	112	D334 E335 T336 A341 L342	D334-S338 PolarHBondContact O-N 3.15Å; D334-S338 PolarHBondContact O-OG 3.3Å; E335-S338 WeakPolarHBondContact O-CA 3.4Å; E335-S338 VanDerWaalsContact O-CB 3.31Å; E335-S338 WeakPolarHBondContact O-CB 3.24Å; E335-S338 PolarHBondContact O-N 3.15Å; T336-S338 VanDerWaalsContact C-N 3.31Å; T336-S338 PolarHBondContact O-N 3.16Å; S338-A341 PolarHBondContact O-N 3.24Å; S338-L342 WeakPolarHBondContact O-CB 3.34Å; S338-L342 PolarHBondContact O-N 3.14Å
339	F	89.4	Confident	88.7	Confident	31 Å²	31	66.2 Å²	66.2	14%	0.136	36%	0.356	C	S	.	.	H	α-helix	trans	-68.2	-37.3	174.3	-75.6	-72.4	0	0	0	112.9	F276 V280 L291 I294 E335 T336 A341 L342 G343	F276-F339 AromaticContact CE1-CE1 3.82Å; F276-F339 HydrophobicContact CE1-CE1 3.82Å; V280-F339 HydrophobicContact CB-CZ 4.46Å; V280-F339 HydrophobicContact CG1-CZ 3.86Å; V280-F339 HydrophobicContact CG2-CZ 4.44Å; L291-F339 HydrophobicContact CD2-CB 3.97Å; L291-F339 HydrophobicContact CD2-CD1 3.63Å; L291-F339 HydrophobicContact CD2-CD2 3.59Å; L291-F339 HydrophobicContact CD2-CE1 4Å; L291-F339 HydrophobicContact CD2-CE2 3.99Å; L291-F339 HydrophobicContact CD2-CG 3.43Å; L291-F339 VanDerWaalsContact CD2-CG 3.43Å; L291-F339 HydrophobicContact CD2-CZ 4.2Å; I294-F339 HydrophobicContact CD1-CB 3.75Å; E335-F339 WeakPolarHBondContact O-CD2 3.4Å; E335-F339 PolarHBondContact O-N 3.33Å; T336-F339 PolarHBondContact O-N 2.74Å; F339-A341 VanDerWaalsContact C-N 3.34Å; F339-L342 HydrophobicContact CD1-CD2 4.42Å; F339-L342 PolarHBondContact O-N 3.2Å; F339-G343 PolarHBondContact O-N 3.26Å
340	V	90.6	Very high	89.1	Confident	4 Å²	4	57.3 Å²	57.3	2%	0.024	32%	0.323	C	S	.	.	H	α-helix	trans	-64	-42.9	173	171.7	0	0	0	0	110.3	I294 L324 I327 T336 M337 G343 L344	I294-V340 HydrophobicContact CD1-CG2 4.26Å; L324-V340 WeakPolarHBondContact O-CG1 3.46Å; I327-V340 HydrophobicContact CB-CG2 4.48Å; I327-V340 HydrophobicContact CG2-CG2 3.84Å; T336-V340 WeakPolarHBondContact O-CG2 3.34Å; T336-V340 PolarHBondContact O-N 2.58Å; M337-V340 PolarHBondContact O-N 3.48Å; V340-G343 PolarHBondContact O-N 3.43Å; V340-L344 HydrophobicContact CG1-CD1 3.91Å; V340-L344 HydrophobicContact CG1-CG 4.3Å; V340-L344 WeakPolarHBondContact O-CB 3.26Å; V340-L344 WeakPolarHBondContact O-CG 3.37Å; V340-L344 PolarHBondContact O-N 3.27Å
341	A	92.9	Very high	89.6	Confident	49 Å²	49	54.5 Å²	54.5	41%	0.405	30%	0.301	S	S	.	.	H	α-helix	trans	-62.8	-42.2	176.3	0	0	0	0	0	111.8	M337 S338 F339 L344 T345	M337-A341 WeakPolarHBondContact O-CB 3.47Å; M337-A341 PolarHBondContact O-N 3.25Å; S338-A341 PolarHBondContact O-N 3.24Å; F339-A341 VanDerWaalsContact C-N 3.34Å; A341-L344 PolarHBondContact O-N 3.28Å; A341-T345 WeakPolarHBondContact O-CB 3.43Å; A341-T345 PolarHBondContact O-N 3.43Å; A341-T345 PolarHBondContact O-OG1 2.97Å
342	L	92.4	Very high	90.2	Very high	52 Å²	52	60.6 Å²	60.6	27%	0.272	32%	0.323	S	S	.	.	H	α-helix	trans	-57.4	-52.2	171.5	176.6	66.3	0	0	0	110.5	F276 S338 F339 L344 T345 Q346	F276-L342 HydrophobicContact CD1-CD2 3.97Å; F276-L342 HydrophobicContact CE1-CD2 3.78Å; S338-L342 WeakPolarHBondContact O-CB 3.34Å; S338-L342 PolarHBondContact O-N 3.14Å; F339-L342 HydrophobicContact CD1-CD2 4.42Å; F339-L342 PolarHBondContact O-N 3.2Å; L342-L344 PolarHBondContact O-N 2.87Å; L342-T345 PolarHBondContact O-N 3.28Å; L342-Q346 HydrophobicContact CD1-CG 4.03Å; L342-Q346 HydrophobicContact CG-CG 4.44Å; L342-Q346 WeakPolarHBondContact O-CB 3.45Å; L342-Q346 VanDerWaalsContact O-CG 3.26Å; L342-Q346 WeakPolarHBondContact O-CG 3.43Å; L342-Q346 PolarHBondContact O-N 3.37Å
343	G	93.2	Very high	90.9	Very high	1 Å²	1	55.9 Å²	55.9	1%	0.01	29%	0.293	C	S	.	.	H	α-helix	trans	-57.1	-48	178.9	0	0	0	0	0	112.7	F339 V340 T345 Q346 I347	F339-G343 PolarHBondContact O-N 3.26Å; V340-G343 PolarHBondContact O-N 3.43Å; G343-T345 VanDerWaalsContact C-N 3.34Å; G343-T345 PolarHBondContact O-N 2.79Å; G343-Q346 PolarHBondContact O-N 3.27Å; G343-I347 WeakPolarHBondContact O-CG1 3.4Å; G343-I347 PolarHBondContact O-N 2.88Å
344	L	95	Very high	91.3	Very high	30 Å²	30	54.4 Å²	54.4	16%	0.157	28%	0.282	C	S	.	.	H	α-helix	trans	-60.4	-43.5	177.9	-76.4	170	0	0	0	111.7	L321 L324 V340 A341 L342 R348	L321-L344 HydrophobicContact CD2-CD2 3.94Å; L324-L344 HydrophobicContact CB-CD2 3.58Å; L324-L344 HydrophobicContact CB-CG 3.97Å; L324-L344 HydrophobicContact CD1-CD2 4.31Å; V340-L344 HydrophobicContact CG1-CD1 3.91Å; V340-L344 HydrophobicContact CG1-CG 4.3Å; V340-L344 WeakPolarHBondContact O-CB 3.26Å; V340-L344 WeakPolarHBondContact O-CG 3.37Å; V340-L344 PolarHBondContact O-N 3.27Å; A341-L344 PolarHBondContact O-N 3.28Å; L342-L344 PolarHBondContact O-N 2.87Å; L344-R348 WeakPolarHBondContact O-CB 3.33Å; L344-R348 VanDerWaalsContact O-CG 3.26Å; L344-R348 WeakPolarHBondContact O-CG 3.28Å; L344-R348 PolarHBondContact O-N 3.41Å
345	T	95.5	Very high	91.8	Very high	69 Å²	69	50.4 Å²	50.4	42%	0.423	26%	0.259	S	S	.	.	H	α-helix	trans	-63.9	-47.4	179.5	-56.9	0	0	0	0	110.5	A341 L342 G343 R348 C349	A341-T345 WeakPolarHBondContact O-CB 3.43Å; A341-T345 PolarHBondContact O-N 3.43Å; A341-T345 PolarHBondContact O-OG1 2.97Å; L342-T345 PolarHBondContact O-N 3.28Å; G343-T345 VanDerWaalsContact C-N 3.34Å; G343-T345 PolarHBondContact O-N 2.79Å; T345-R348 WeakPolarHBondContact O-CB 3.48Å; T345-R348 PolarHBondContact O-N 2.87Å; T345-C349 PolarHBondContact O-N 2.92Å; T345-C349 PolarHBondContact O-SG 3.42Å
346	Q	94.9	Very high	92.2	Very high	53 Å²	53	50 Å²	50	25%	0.248	27%	0.27	C	S	.	.	H	α-helix	trans	-66.8	-41.5	-178.5	-66.4	-63.9	-18.4	0	0	112.3	I273 F298 L342 G343 R348 C349 L350	I273-Q346 HydrophobicContact CD1-CB 3.39Å; I273-Q346 HydrophobicContact CD1-CG 3.4Å; I273-Q346 VanDerWaalsContact CD1-CG 3.4Å; I273-Q346 HydrophobicContact CG1-CG 4.18Å; F298-Q346 HydrophobicContact CE1-CB 3.95Å; F298-Q346 HydrophobicContact CZ-CB 3.79Å; L342-Q346 HydrophobicContact CD1-CG 4.03Å; L342-Q346 HydrophobicContact CG-CG 4.44Å; L342-Q346 WeakPolarHBondContact O-CB 3.45Å; L342-Q346 VanDerWaalsContact O-CG 3.26Å; L342-Q346 WeakPolarHBondContact O-CG 3.43Å; L342-Q346 PolarHBondContact O-N 3.37Å; G343-Q346 PolarHBondContact O-N 3.27Å; Q346-R348 VanDerWaalsContact C-N 3.3Å; Q346-R348 PolarHBondContact O-N 3.43Å; Q346-C349 WeakPolarHBondContact O-CB 3.39Å; Q346-C349 PolarHBondContact O-N 3.26Å; Q346-L350 WeakPolarHBondContact O-CG 3.36Å; Q346-L350 PolarHBondContact O-N 2.74Å
347	I	95.1	Very high	92.3	Very high	0 Å²	0	55 Å²	55	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-64.2	-35.8	173.5	-63.6	-66.5	0	0	0	111.4	I297 F298 M301 C317 Q320 L321 L324 G343 L350 K351	I297-I347 HydrophobicContact CG2-CD1 4.08Å; I297-I347 HydrophobicContact CG2-CG1 4.45Å; F298-I347 HydrophobicContact CD1-CD1 4.26Å; F298-I347 HydrophobicContact CE1-CD1 3.7Å; F298-I347 HydrophobicContact CE1-CG1 4.14Å; F298-I347 HydrophobicContact CZ-CD1 4.04Å; F298-I347 HydrophobicContact CZ-CG1 4.02Å; M301-I347 HydrophobicContact CG-CD1 3.85Å; C317-I347 HydrophobicContact CB-CG2 4.09Å; Q320-I347 HydrophobicContact CB-CD1 4.27Å; Q320-I347 HydrophobicContact CB-CG1 4.45Å; Q320-I347 HydrophobicContact CB-CG2 4.25Å; L321-I347 HydrophobicContact CD1-CG2 4.4Å; L321-I347 HydrophobicContact CD2-CB 3.88Å; L321-I347 HydrophobicContact CD2-CG2 3.64Å; L321-I347 HydrophobicContact CG-CB 4.42Å; L321-I347 HydrophobicContact CG-CG2 3.62Å; L324-I347 HydrophobicContact CD1-CB 4.36Å; L324-I347 HydrophobicContact CD1-CG1 3.67Å; G343-I347 WeakPolarHBondContact O-CG1 3.4Å; G343-I347 PolarHBondContact O-N 2.88Å; I347-L350 HydrophobicContact CD1-CD1 4.22Å; I347-L350 PolarHBondContact O-N 3.14Å; I347-K351 VanDerWaalsContact O-CB 3.3Å; I347-K351 WeakPolarHBondContact O-CB 3.37Å; I347-K351 PolarHBondContact O-N 3.26Å
348	R	95.8	Very high	92.4	Very high	150 Å²	150	51 Å²	51	57%	0.566	27%	0.269	S	S	*	.	H	α-helix	trans	-64.4	-41	173.1	-76.5	171.8	179.6	152.5	-1.1	112.1	L321 L344 T345 Q346 K351 F352	L321-R348 HydrophobicContact CD1-CG 4.41Å; L321-R348 HydrophobicContact CD2-CG 3.86Å; L344-R348 WeakPolarHBondContact O-CB 3.33Å; L344-R348 VanDerWaalsContact O-CG 3.26Å; L344-R348 WeakPolarHBondContact O-CG 3.28Å; L344-R348 PolarHBondContact O-N 3.41Å; T345-R348 WeakPolarHBondContact O-CB 3.48Å; T345-R348 PolarHBondContact O-N 2.87Å; Q346-R348 VanDerWaalsContact C-N 3.3Å; Q346-R348 PolarHBondContact O-N 3.43Å; R348-K351 PolarHBondContact O-N 3.4Å; R348-F352 WeakPolarHBondContact O-CB 3.35Å; R348-F352 PolarHBondContact O-N 3.19Å
349	C	93.7	Very high	92.3	Very high	58 Å²	58	53.4 Å²	53.4	39%	0.392	27%	0.27	S	S	.	.	H	α-helix	trans	-61.1	-48.3	174.2	-67.2	0	0	0	0	111.2	T345 Q346 K351 F352 L353	T345-C349 PolarHBondContact O-N 2.92Å; T345-C349 PolarHBondContact O-SG 3.42Å; Q346-C349 WeakPolarHBondContact O-CB 3.39Å; Q346-C349 PolarHBondContact O-N 3.26Å; C349-K351 VanDerWaalsContact C-N 3.32Å; C349-K351 PolarHBondContact O-N 3.14Å; C349-F352 PolarHBondContact O-N 3.47Å; C349-L353 WeakPolarHBondContact O-CG 3.32Å; C349-L353 PolarHBondContact O-N 2.84Å
350	L	93.6	Very high	92.2	Very high	2 Å²	2	58 Å²	58	1%	0.01	30%	0.296	C	S	.	.	H	α-helix	trans	-59.7	-43.6	176	-65.6	173.6	0	0	0	111.4	L266 K269 F298 Q346 I347 F352 L353 L354	L266-L350 HydrophobicContact CD2-CB 4.45Å; L266-L350 HydrophobicContact CD2-CD2 3.43Å; L266-L350 VanDerWaalsContact CD2-CD2 3.43Å; K269-L350 HydrophobicContact CB-CD2 4.11Å; K269-L350 HydrophobicContact CD-CD2 4.15Å; F298-L350 HydrophobicContact CE1-CD1 4.28Å; Q346-L350 WeakPolarHBondContact O-CG 3.36Å; Q346-L350 PolarHBondContact O-N 2.74Å; I347-L350 HydrophobicContact CD1-CD1 4.22Å; I347-L350 PolarHBondContact O-N 3.14Å; L350-F352 PolarHBondContact O-N 2.59Å; L350-L353 PolarHBondContact O-N 3.45Å; L350-L354 WeakPolarHBondContact O-CB 3.28Å; L350-L354 VanDerWaalsContact O-CG 3.29Å; L350-L354 WeakPolarHBondContact O-CG 3.32Å; L350-L354 PolarHBondContact O-N 3.18Å
351	K	94.7	Very high	92	Very high	49 Å²	49	58.1 Å²	58.1	21%	0.213	30%	0.296	C	S	.	.	H	α-helix	trans	-58.8	-46	175.5	178.5	174.8	169.2	174.1	0	111.6	L314 C317 N318 L321 I347 R348 C349 L354 E355	L314-K351 HydrophobicContact CD1-CG 3.93Å; C317-K351 HydrophobicContact CB-CB 3.93Å; C317-K351 HydrophobicContact CB-CG 4.34Å; N318-K351 WeakPolarHBondContact OD1-CE 3.4Å; N318-K351 PolarHBondContact OD1-NZ 3.06Å; L321-K351 HydrophobicContact CD1-CD 4.06Å; I347-K351 VanDerWaalsContact O-CB 3.3Å; I347-K351 WeakPolarHBondContact O-CB 3.37Å; I347-K351 PolarHBondContact O-N 3.26Å; R348-K351 PolarHBondContact O-N 3.4Å; C349-K351 VanDerWaalsContact C-N 3.32Å; C349-K351 PolarHBondContact O-N 3.14Å; K351-L354 PolarHBondContact O-N 3.14Å; K351-E355 WeakPolarHBondContact CE-OE1 3.4Å; K351-E355 HydrophobicContact CG-CG 4.37Å; K351-E355 IonicContact NZ-OE1 3.53Å; K351-E355 WeakPolarHBondContact O-CB 3.48Å; K351-E355 WeakPolarHBondContact O-CG 3.38Å; K351-E355 PolarHBondContact O-N 3.49Å
352	F	94	Very high	91.7	Very high	152 Å²	152	63 Å²	63	67%	0.667	31%	0.308	S	S	*	.	H	α-helix	trans	-61.5	-45	179	-178.8	-97.1	0	0	0	111.9	R348 C349 L350 L354 E355 A356	R348-F352 WeakPolarHBondContact O-CB 3.35Å; R348-F352 PolarHBondContact O-N 3.19Å; C349-F352 PolarHBondContact O-N 3.47Å; L350-F352 PolarHBondContact O-N 2.59Å; F352-L354 PolarHBondContact O-N 2.96Å; F352-E355 PolarHBondContact O-N 2.8Å; F352-A356 PolarHBondContact O-N 2.84Å
353	L	91.3	Very high	91.5	Very high	45 Å²	45	61.9 Å²	61.9	24%	0.236	31%	0.305	C	S	.	.	H	α-helix	trans	-58.8	-46.9	174.5	-69	172.1	0	0	0	111.1	L266 K269 C349 L350 E355 A356 Y357	L266-L353 HydrophobicContact CD2-CB 4.32Å; L266-L353 HydrophobicContact CD2-CD1 4.2Å; K269-L353 HydrophobicContact CD-CD1 4.19Å; C349-L353 WeakPolarHBondContact O-CG 3.32Å; C349-L353 PolarHBondContact O-N 2.84Å; L350-L353 PolarHBondContact O-N 3.45Å; L353-E355 PolarHBondContact O-N 3.08Å; L353-A356 WeakPolarHBondContact O-CB 3.28Å; L353-A356 PolarHBondContact O-N 2.97Å; L353-Y357 VanDerWaalsContact O-CD2 3.32Å; L353-Y357 WeakPolarHBondContact O-CD2 3.39Å
354	L	92.3	Very high	91	Very high	1 Å²	1	61.9 Å²	61.9	1%	0.005	31%	0.305	C	S	.	.	H	α-helix	trans	-65.2	-37.9	178.7	-72.5	165.7	0	0	0	112.9	L266 L310 A313 L314 L350 K351 F352 A356 Y357 V358	L266-L354 HydrophobicContact CD1-CD2 3.59Å; L266-L354 HydrophobicContact CD1-CG 4.15Å; L266-L354 HydrophobicContact CD2-CG 4.5Å; L310-L354 HydrophobicContact CB-CD2 3.94Å; L310-L354 HydrophobicContact CD2-CD2 3.87Å; L310-L354 HydrophobicContact CG-CD2 4.42Å; A313-L354 HydrophobicContact CB-CD1 3.89Å; A313-L354 HydrophobicContact CB-CD2 4.23Å; L314-L354 HydrophobicContact CB-CB 4.15Å; L314-L354 HydrophobicContact CD1-CB 4.04Å; L350-L354 WeakPolarHBondContact O-CB 3.28Å; L350-L354 VanDerWaalsContact O-CG 3.29Å; L350-L354 WeakPolarHBondContact O-CG 3.32Å; L350-L354 PolarHBondContact O-N 3.18Å; K351-L354 PolarHBondContact O-N 3.14Å; F352-L354 PolarHBondContact O-N 2.96Å; L354-A356 VanDerWaalsContact C-N 3.29Å; L354-A356 PolarHBondContact O-N 3.5Å; L354-Y357 PolarHBondContact O-N 3.35Å; L354-V358 PolarHBondContact O-N 2.88Å
355	E	93.3	Very high	90.4	Very high	50 Å²	50	65.5 Å²	65.5	23%	0.234	33%	0.325	C	S	.	.	H	α-helix	trans	-61.7	-36.7	177.8	-82.2	-169.1	-163.5	0	0	112.3	L314 K351 F352 L353 Y357 K359	L314-E355 HydrophobicContact CD1-CG 3.69Å; L314-E355 HydrophobicContact CD2-CG 4.39Å; K351-E355 WeakPolarHBondContact CE-OE1 3.4Å; K351-E355 HydrophobicContact CG-CG 4.37Å; K351-E355 IonicContact NZ-OE1 3.53Å; K351-E355 WeakPolarHBondContact O-CB 3.48Å; K351-E355 WeakPolarHBondContact O-CG 3.38Å; K351-E355 PolarHBondContact O-N 3.49Å; F352-E355 PolarHBondContact O-N 2.8Å; L353-E355 PolarHBondContact O-N 3.08Å; E355-Y357 PolarHBondContact O-N 3.11Å; E355-K359 HydrophobicContact CB-CB 4.3Å; E355-K359 HydrophobicContact CB-CD 4.21Å; E355-K359 HydrophobicContact CG-CD 4.24Å; E355-K359 WeakPolarHBondContact O-CB 3.36Å; E355-K359 PolarHBondContact O-N 3Å; E355-K359 IonicContact OE2-NZ 3.52Å; E355-K359 PolarHBondContact OE2-NZ 3.14Å
356	A	88.5	Confident	90	Very high	77 Å²	77	66.3 Å²	66.3	64%	0.636	32%	0.324	S	S	*	.	H	α-helix	trans	-58.8	-29.2	179	0	0	0	0	0	112.9	F352 L353 L354	F352-A356 PolarHBondContact O-N 2.84Å; L353-A356 WeakPolarHBondContact O-CB 3.28Å; L353-A356 PolarHBondContact O-N 2.97Å; L354-A356 VanDerWaalsContact C-N 3.29Å; L354-A356 PolarHBondContact O-N 3.5Å
357	Y	85.5	Confident	89.7	Confident	119 Å²	119	63.8 Å²	63.8	47%	0.467	31%	0.312	S	S	.	.	H	α-helix	trans	-101.6	-39.2	-177.5	-69	-95.3	0	0	0	113.2	L262 L353 L354 E355	L262-Y357 HydrophobicContact CD1-CE2 4.33Å; L262-Y357 HydrophobicContact CD2-CD1 4.26Å; L262-Y357 HydrophobicContact CD2-CD2 3.5Å; L262-Y357 HydrophobicContact CD2-CE1 4.36Å; L262-Y357 HydrophobicContact CD2-CE2 3.64Å; L262-Y357 HydrophobicContact CD2-CG 3.84Å; L353-Y357 VanDerWaalsContact O-CD2 3.32Å; L353-Y357 WeakPolarHBondContact O-CD2 3.39Å; L354-Y357 PolarHBondContact O-N 3.35Å; E355-Y357 PolarHBondContact O-N 3.11Å
358	V	89.7	Confident	89.3	Confident	1 Å²	1	69.1 Å²	69.1	1%	0.006	34%	0.335	C	S	.	.	H	α-helix	trans	-113	-15.2	-160.4	-167.1	0	0	0	0	113.8	L310 W311 L314 L354 N360 V361 Y370	L310-V358 HydrophobicContact CB-CG2 3.78Å; W311-V358 HydrophobicContact CB-CG1 3.53Å; W311-V358 HydrophobicContact CG-CG1 3.68Å; L314-V358 HydrophobicContact CD2-CB 4.44Å; L354-V358 PolarHBondContact O-N 2.88Å; V358-N360 PolarHBondContact O-N 3.36Å; V358-N360 VanDerWaalsContact O-N 3.17Å; V358-V361 HydrophobicContact CG1-CG2 4.07Å; V358-V361 WeakPolarHBondContact O-CB 3.44Å; V358-V361 WeakPolarHBondContact O-CG2 3.37Å; V358-V361 PolarHBondContact O-N 3.17Å; V358-Y370 HydrophobicContact CG2-CD1 3.95Å; V358-Y370 HydrophobicContact CG2-CG 4.16Å
359	K	87.5	Confident	88.8	Confident	129 Å²	129	69.9 Å²	69.9	56%	0.561	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.8	-31.8	-175	-175.1	175.5	-170.8	162.9	0	113.9	E355	E355-K359 HydrophobicContact CB-CB 4.3Å; E355-K359 HydrophobicContact CB-CD 4.21Å; E355-K359 HydrophobicContact CG-CD 4.24Å; E355-K359 WeakPolarHBondContact O-CB 3.36Å; E355-K359 PolarHBondContact O-N 3Å; E355-K359 IonicContact OE2-NZ 3.52Å; E355-K359 PolarHBondContact OE2-NZ 3.14Å
360	N	86.5	Confident	88.6	Confident	126 Å²	126	69.4 Å²	69.4	67%	0.674	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94	2.1	-175.1	-66.3	-28.5	0	0	0	113.9	V358 K362	V358-N360 PolarHBondContact O-N 3.36Å; V358-N360 VanDerWaalsContact O-N 3.17Å; N360-K362 PolarHBondContact O-N 3.48Å
361	V	87.5	Confident	88.4	Confident	7 Å²	7	69.4 Å²	69.4	4%	0.042	33%	0.328	C	S	.	.			trans	-64.3	118.7	177.6	175.1	0	0	0	0	109.3	V358 E366 L367 Y370 W427	V358-V361 HydrophobicContact CG1-CG2 4.07Å; V358-V361 WeakPolarHBondContact O-CB 3.44Å; V358-V361 WeakPolarHBondContact O-CG2 3.37Å; V358-V361 PolarHBondContact O-N 3.17Å; V361-E366 WeakPolarHBondContact CA-OE2 3.2Å; V361-E366 HydrophobicContact CG1-CB 4.06Å; V361-L367 HydrophobicContact CG1-CB 3.92Å; V361-L367 HydrophobicContact CG1-CD1 4.21Å; V361-Y370 HydrophobicContact CG2-CD2 3.51Å; V361-Y370 HydrophobicContact CG2-CE2 3.66Å; V361-Y370 HydrophobicContact CG2-CG 4.45Å; V361-W427 HydrophobicContact CG1-CH2 4.14Å; V361-W427 HydrophobicContact CG1-CZ3 4.1Å
362	K	85.5	Confident	88.2	Confident	151 Å²	151	67.3 Å²	67.3	66%	0.657	32%	0.32	S	S	*	.			trans	-132.7	8.6	-178.1	-69.7	-178.8	-176.8	179.9	0	113.4	N360 E366 W427	N360-K362 PolarHBondContact O-N 3.48Å; K362-E366 PolarHBondContact N-OE2 2.85Å; K362-W427 WeakPolarHBondContact O-CB 3.39Å
363	S	87.5	Confident	87.8	Confident	29 Å²	29	61.2 Å²	61.2	20%	0.203	30%	0.295	C	S	.	.	S	Bend	trans	-138.6	157.8	173.7	66.7	0	0	0	0	111.2	D365 E366 L367	S363-D365 VanDerWaalsContact C-N 3.25Å; S363-D365 PolarHBondContact O-N 3.25Å; S363-E366 PolarHBondContact N-OE2 3.31Å; S363-E366 PolarHBondContact O-N 3.48Å; S363-E366 WeakPolarHBondContact OG-CB 3.48Å; S363-E366 VanDerWaalsContact OG-CG 3.24Å; S363-E366 WeakPolarHBondContact OG-CG 3.5Å; S363-E366 PolarHBondContact OG-N 3.49Å; S363-L367 WeakPolarHBondContact O-CB 3.28Å; S363-L367 PolarHBondContact O-N 3.46Å
364	C	83.7	Confident	87.7	Confident	1 Å²	1	60.2 Å²	60.2	1%	0.007	29%	0.288	C	S	.	.	H	α-helix	trans	-66.7	-30.6	177.6	-120.6	0	0	0	0	111.9	L367 K368 W376 I424 E428	C364-L367 WeakPolarHBondContact O-CB 3.4Å; C364-L367 PolarHBondContact O-N 3.09Å; C364-K368 PolarHBondContact O-N 3.22Å; C364-K368 VanDerWaalsContact O-N 3.13Å; C364-W376 VanDerWaalsContact O-CH2 3.3Å; C364-W376 WeakPolarHBondContact O-CH2 3.36Å; C364-W376 VanDerWaalsContact O-CZ3 3.24Å; C364-W376 WeakPolarHBondContact O-CZ3 3.37Å; C364-I424 VanDerWaalsContact SG-CG2 3.56Å; C364-E428 PolarHBondContact N-OE1 3.18Å
365	D	82.9	Confident	87.7	Confident	107 Å²	107	60.2 Å²	60.2	57%	0.572	29%	0.288	S	S	*	.	H	α-helix	trans	-75	-34.3	-178.5	-64.1	-18.8	0	0	0	111.7	S363 K368 R383	S363-D365 VanDerWaalsContact C-N 3.25Å; S363-D365 PolarHBondContact O-N 3.25Å; D365-K368 WeakPolarHBondContact O-CB 3.46Å; D365-R383 IonicContact OD1-NH1 3.11Å
366	E	86.9	Confident	87.6	Confident	86 Å²	86	58.7 Å²	58.7	40%	0.402	28%	0.281	S	S	.	.	H	α-helix	trans	-65.6	-43.6	167	-74.4	168.3	-175	0	0	111.1	V361 K362 S363 K368 R369 Y370	V361-E366 WeakPolarHBondContact CA-OE2 3.2Å; V361-E366 HydrophobicContact CG1-CB 4.06Å; K362-E366 PolarHBondContact N-OE2 2.85Å; S363-E366 PolarHBondContact N-OE2 3.31Å; S363-E366 PolarHBondContact O-N 3.48Å; S363-E366 WeakPolarHBondContact OG-CB 3.48Å; S363-E366 VanDerWaalsContact OG-CG 3.24Å; S363-E366 WeakPolarHBondContact OG-CG 3.5Å; S363-E366 PolarHBondContact OG-N 3.49Å; E366-K368 PolarHBondContact O-N 3.36Å; E366-R369 WeakPolarHBondContact O-CB 3.44Å; E366-R369 PolarHBondContact O-N 3.19Å; E366-R369 VanDerWaalsContact O-N 3.09Å; E366-Y370 VanDerWaalsContact O-CD2 3.32Å; E366-Y370 WeakPolarHBondContact O-CD2 3.28Å
367	L	88.2	Confident	87.7	Confident	0 Å²	0	55.6 Å²	55.6	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-57.1	-35.9	-179.3	-179.4	72.7	0	0	0	112.1	W311 V361 S363 C364 R369 Y370 V371 I379 L420 I424 W427	W311-L367 HydrophobicContact CB-CD1 3.82Å; W311-L367 HydrophobicContact CG-CD1 3.82Å; V361-L367 HydrophobicContact CG1-CB 3.92Å; V361-L367 HydrophobicContact CG1-CD1 4.21Å; S363-L367 WeakPolarHBondContact O-CB 3.28Å; S363-L367 PolarHBondContact O-N 3.46Å; C364-L367 WeakPolarHBondContact O-CB 3.4Å; C364-L367 PolarHBondContact O-N 3.09Å; L367-R369 PolarHBondContact O-N 3.35Å; L367-Y370 PolarHBondContact O-N 2.9Å; L367-V371 HydrophobicContact CD1-CG1 3.59Å; L367-V371 HydrophobicContact CD2-CG1 4.27Å; L367-V371 HydrophobicContact CG-CG1 3.71Å; L367-V371 WeakPolarHBondContact O-CG2 3.42Å; L367-V371 PolarHBondContact O-N 2.79Å; L367-I379 HydrophobicContact CD2-CD1 4.03Å; L367-L420 HydrophobicContact CD1-CD1 3.85Å; L367-L420 HydrophobicContact CD2-CD1 3.77Å; L367-L420 HydrophobicContact CD2-CD2 4.41Å; L367-L420 HydrophobicContact CD2-CG 4.38Å; L367-L420 HydrophobicContact CG-CD1 4.43Å; L367-I424 HydrophobicContact CD2-CD1 3.7Å; L367-I424 HydrophobicContact CD2-CG1 3.89Å; L367-W427 HydrophobicContact CB-CZ3 4.36Å; L367-W427 HydrophobicContact CD1-CH2 4.28Å; L367-W427 HydrophobicContact CD1-CZ3 4.17Å; L367-W427 HydrophobicContact CD2-CZ3 4.19Å; L367-W427 HydrophobicContact CG-CZ3 4.46Å
368	K	87.5	Confident	88	Confident	111 Å²	111	50 Å²	50	48%	0.483	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	-47.6	-34.3	177	-175.9	172.5	-174.5	163.4	0	112.7	C364 D365 E366 Y370 W376 E380	C364-K368 PolarHBondContact O-N 3.22Å; C364-K368 VanDerWaalsContact O-N 3.13Å; D365-K368 WeakPolarHBondContact O-CB 3.46Å; E366-K368 PolarHBondContact O-N 3.36Å; K368-Y370 VanDerWaalsContact C-N 3.31Å; K368-Y370 PolarHBondContact O-N 3.17Å; K368-W376 HydrophobicContact CB-CD2 4.01Å; K368-W376 HydrophobicContact CB-CE3 3.9Å; K368-W376 HydrophobicContact CB-CH2 3.73Å; K368-W376 HydrophobicContact CB-CZ2 3.87Å; K368-W376 HydrophobicContact CB-CZ3 3.75Å; K368-W376 HydrophobicContact CD-CD2 4.29Å; K368-W376 HydrophobicContact CD-CH2 4.33Å; K368-W376 HydrophobicContact CD-CZ2 3.61Å; K368-W376 HydrophobicContact CG-CD2 3.74Å; K368-W376 HydrophobicContact CG-CE3 4.17Å; K368-W376 HydrophobicContact CG-CG 4.23Å; K368-W376 HydrophobicContact CG-CH2 4.23Å; K368-W376 HydrophobicContact CG-CZ2 3.83Å; K368-W376 HydrophobicContact CG-CZ3 4.38Å; K368-E380 IonicContact NZ-OE1 2.61Å
369	R	84.8	Confident	88.1	Confident	166 Å²	166	50 Å²	50	63%	0.626	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	-77.7	-11.4	-178.6	-59.3	-177.6	-175.2	178.4	1.1	114	Y259 E366 L367	Y259-R369 WeakPolarHBondContact CD1-O 3.42Å; Y259-R369 WeakPolarHBondContact CE1-O 3.26Å; E366-R369 WeakPolarHBondContact O-CB 3.44Å; E366-R369 PolarHBondContact O-N 3.19Å; E366-R369 VanDerWaalsContact O-N 3.09Å; L367-R369 PolarHBondContact O-N 3.35Å
370	Y	88.8	Confident	88.2	Confident	48 Å²	48	48.1 Å²	48.1	19%	0.188	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	-127.3	9.3	-170.9	-57.2	-71.2	0	0	0	113.9	L310 W311 V358 V361 E366 L367 K368	L310-Y370 HydrophobicContact CD1-CD1 4.22Å; L310-Y370 PolarHBondContact N-O 2.92Å; W311-Y370 PolarHBondContact N-O 2.83Å; V358-Y370 HydrophobicContact CG2-CD1 3.95Å; V358-Y370 HydrophobicContact CG2-CG 4.16Å; V361-Y370 HydrophobicContact CG2-CD2 3.51Å; V361-Y370 HydrophobicContact CG2-CE2 3.66Å; V361-Y370 HydrophobicContact CG2-CG 4.45Å; E366-Y370 VanDerWaalsContact O-CD2 3.32Å; E366-Y370 WeakPolarHBondContact O-CD2 3.28Å; L367-Y370 PolarHBondContact O-N 2.9Å; K368-Y370 VanDerWaalsContact C-N 3.31Å; K368-Y370 PolarHBondContact O-N 3.17Å
371	V	90	Very high	88.3	Confident	3 Å²	3	42.3 Å²	42.3	2%	0.018	20%	0.195	C	C	.	.	B	Isolated β-bridge	trans	-118.6	157.5	175.1	-64.8	0	0	0	0	110.6	Y259 W311 L367 L375 W376 L420	Y259-V371 PolarHBondContact OH-O 2.94Å; W311-V371 HydrophobicContact CB-CG1 4.5Å; L367-V371 HydrophobicContact CD1-CG1 3.59Å; L367-V371 HydrophobicContact CD2-CG1 4.27Å; L367-V371 HydrophobicContact CG-CG1 3.71Å; L367-V371 WeakPolarHBondContact O-CG2 3.42Å; L367-V371 PolarHBondContact O-N 2.79Å; V371-L375 HydrophobicContact CB-CD2 4.35Å; V371-L375 HydrophobicContact CG1-CD2 4.32Å; V371-W376 HydrophobicContact CG2-CB 4Å; V371-W376 HydrophobicContact CG2-CE3 3.97Å; V371-L420 HydrophobicContact CG1-CD2 4.28Å
372	S	89.4	Confident	88.4	Confident	4 Å²	4	42 Å²	42	3%	0.028	19%	0.193	C	C	.	.			trans	-65.7	150	176.2	72.9	0	0	0	0	111	H307 L308 R374 L375 W376	H307-S372 WeakPolarHBondContact O-CB 3.47Å; H307-S372 PolarHBondContact O-OG 3.29Å; L308-S372 PolarHBondContact O-N 2.66Å; S372-R374 PolarHBondContact O-N 2.97Å; S372-R374 VanDerWaalsContact O-N 3.13Å; S372-L375 PolarHBondContact O-N 3.44Å; S372-L375 WeakPolarHBondContact OG-CB 3.32Å; S372-L375 PolarHBondContact OG-N 2.9Å; S372-W376 PolarHBondContact O-N 2.67Å
373	P	87.3	Confident	88.4	Confident	24 Å²	24	38.1 Å²	38.1	16%	0.156	17%	0.174	C	C	.	.	H	α-helix	trans	-54.4	-34.5	176.8	-26.8	34.4	0	0	0	112.8	C251 W376 A377	C251-P373 HydrophobicContact CB-CB 4.27Å; P373-W376 PolarHBondContact O-N 2.65Å; P373-A377 WeakPolarHBondContact O-CB 3.07Å; P373-A377 PolarHBondContact O-N 2.9Å
374	R	88.9	Confident	88.3	Confident	24 Å²	24	39.9 Å²	39.9	9%	0.091	18%	0.18	C	C	.	.	H	α-helix	trans	-66.2	-45.1	177.6	-163.8	-173.9	-172	-178.5	5.6	112.8	S372 W376 A377 L378 F496 D497 V523	S372-R374 PolarHBondContact O-N 2.97Å; S372-R374 VanDerWaalsContact O-N 3.13Å; R374-W376 VanDerWaalsContact C-N 3.34Å; R374-A377 PolarHBondContact O-N 2.93Å; R374-L378 PolarHBondContact O-N 3.03Å; R374-F496 HydrophobicContact CB-CE2 4.44Å; R374-F496 HydrophobicContact CB-CZ 4.28Å; R374-F496 HydrophobicContact CG-CD2 4.5Å; R374-F496 HydrophobicContact CG-CE1 4.5Å; R374-F496 HydrophobicContact CG-CE2 3.8Å; R374-F496 HydrophobicContact CG-CZ 3.81Å; R374-F496 PolarHBondContact NE-O 3.42Å; R374-F496 VanDerWaalsContact NE-O 3.1Å; R374-F496 PolarHBondContact NH2-O 3.35Å; R374-D497 IonicContact CZ-OD1 2.78Å; R374-D497 IonicContact NH1-OD1 2.73Å; R374-D497 PolarHBondContact NH1-OD1 3.26Å; R374-D497 IonicContact NH2-OD1 3.66Å; R374-D497 PolarHBondContact NH2-OD1 3.31Å; R374-V523 HydrophobicContact CG-CG1 3.58Å
375	L	91.5	Very high	88.2	Confident	1 Å²	1	39.9 Å²	39.9	1%	0.005	18%	0.179	C	C	.	.	H	α-helix	trans	-69.4	-36.3	176.6	-175	54	0	0	0	111.2	L308 P312 V371 S372 L378 I379 I417 L420 F496	L308-L375 HydrophobicContact CB-CD2 4.17Å; L308-L375 HydrophobicContact CD2-CD2 4.28Å; L308-L375 WeakPolarHBondContact O-CD2 3.37Å; P312-L375 HydrophobicContact CG-CD2 3.78Å; V371-L375 HydrophobicContact CB-CD2 4.35Å; V371-L375 HydrophobicContact CG1-CD2 4.32Å; S372-L375 PolarHBondContact O-N 3.44Å; S372-L375 WeakPolarHBondContact OG-CB 3.32Å; S372-L375 PolarHBondContact OG-N 2.9Å; L375-L378 HydrophobicContact CD1-CD2 4.26Å; L375-L378 WeakPolarHBondContact O-CB 3.47Å; L375-L378 PolarHBondContact O-N 3.03Å; L375-I379 WeakPolarHBondContact O-CG1 3.43Å; L375-I379 PolarHBondContact O-N 3.15Å; L375-I379 VanDerWaalsContact O-N 3.14Å; L375-I417 HydrophobicContact CD1-CD1 4.17Å; L375-I417 HydrophobicContact CD1-CG1 3.86Å; L375-L420 HydrophobicContact CD1-CD2 4.27Å; L375-L420 HydrophobicContact CD2-CD2 3.5Å; L375-L420 HydrophobicContact CG-CD2 3.92Å; L375-F496 HydrophobicContact CD1-CE2 4.44Å
376	W	91.2	Very high	87.8	Confident	19 Å²	19	36.6 Å²	36.6	7%	0.072	16%	0.162	C	C	.	.	H	α-helix	trans	-62.7	-44.3	173.5	-174.3	-107.5	0	0	0	112.4	C364 K368 V371 S372 P373 R374 L378 I379 E380	C364-W376 VanDerWaalsContact O-CH2 3.3Å; C364-W376 WeakPolarHBondContact O-CH2 3.36Å; C364-W376 VanDerWaalsContact O-CZ3 3.24Å; C364-W376 WeakPolarHBondContact O-CZ3 3.37Å; K368-W376 HydrophobicContact CB-CD2 4.01Å; K368-W376 HydrophobicContact CB-CE3 3.9Å; K368-W376 HydrophobicContact CB-CH2 3.73Å; K368-W376 HydrophobicContact CB-CZ2 3.87Å; K368-W376 HydrophobicContact CB-CZ3 3.75Å; K368-W376 HydrophobicContact CD-CD2 4.29Å; K368-W376 HydrophobicContact CD-CH2 4.33Å; K368-W376 HydrophobicContact CD-CZ2 3.61Å; K368-W376 HydrophobicContact CG-CD2 3.74Å; K368-W376 HydrophobicContact CG-CE3 4.17Å; K368-W376 HydrophobicContact CG-CG 4.23Å; K368-W376 HydrophobicContact CG-CH2 4.23Å; K368-W376 HydrophobicContact CG-CZ2 3.83Å; K368-W376 HydrophobicContact CG-CZ3 4.38Å; V371-W376 HydrophobicContact CG2-CB 4Å; V371-W376 HydrophobicContact CG2-CE3 3.97Å; S372-W376 PolarHBondContact O-N 2.67Å; P373-W376 PolarHBondContact O-N 2.65Å; R374-W376 VanDerWaalsContact C-N 3.34Å; W376-L378 PolarHBondContact O-N 2.65Å; W376-I379 HydrophobicContact CE3-CB 4.49Å; W376-I379 HydrophobicContact CE3-CD1 4.24Å; W376-I379 HydrophobicContact CZ3-CG2 4.34Å; W376-I379 WeakPolarHBondContact O-CA 3.35Å; W376-I379 WeakPolarHBondContact O-CB 3.34Å; W376-I379 PolarHBondContact O-N 3.4Å; W376-E380 HydrophobicContact CZ2-CG 4.03Å; W376-E380 PolarHBondContact NE1-OE1 3.16Å; W376-E380 PolarHBondContact O-N 2.61Å
377	A	91.1	Very high	87.1	Confident	11 Å²	11	34.5 Å²	34.5	9%	0.091	16%	0.163	C	C	.	.	H	α-helix	trans	-58.8	-37.1	176.2	0	0	0	0	0	112.2	L249 C251 P373 R374 L381	L249-A377 HydrophobicContact CD2-CB 3.95Å; L249-A377 HydrophobicContact CG-CB 4.45Å; C251-A377 WeakPolarHBondContact SG-CB 3.31Å; P373-A377 WeakPolarHBondContact O-CB 3.07Å; P373-A377 PolarHBondContact O-N 2.9Å; R374-A377 PolarHBondContact O-N 2.93Å; A377-L381 WeakPolarHBondContact O-CB 3.35Å; A377-L381 PolarHBondContact O-N 2.97Å
378	L	92.1	Very high	86.3	Confident	1 Å²	1	40.2 Å²	40.2	1%	0.005	19%	0.185	C	C	.	.	H	α-helix	trans	-63	-44.2	171.9	176.5	65	0	0	0	111.6	R374 L375 W376 L381 L382 V406 I417 V494 F496	R374-L378 PolarHBondContact O-N 3.03Å; L375-L378 HydrophobicContact CD1-CD2 4.26Å; L375-L378 WeakPolarHBondContact O-CB 3.47Å; L375-L378 PolarHBondContact O-N 3.03Å; W376-L378 PolarHBondContact O-N 2.65Å; L378-L381 PolarHBondContact O-N 3.2Å; L378-L382 HydrophobicContact CD1-CD1 4.4Å; L378-L382 HydrophobicContact CD1-CG 4.43Å; L378-L382 HydrophobicContact CG-CD1 4.31Å; L378-L382 VanDerWaalsContact O-CG 3.28Å; L378-L382 WeakPolarHBondContact O-CG 3.49Å; L378-L382 PolarHBondContact O-N 2.65Å; L378-V406 HydrophobicContact CD1-CG1 4.46Å; L378-V406 HydrophobicContact CD1-CG2 4.04Å; L378-V406 HydrophobicContact CD2-CG1 4.22Å; L378-I417 HydrophobicContact CD2-CD1 4.29Å; L378-I417 HydrophobicContact CD2-CG2 4.03Å; L378-V494 HydrophobicContact CD1-CB 4.34Å; L378-V494 HydrophobicContact CD1-CG1 3.88Å; L378-V494 HydrophobicContact CD1-CG2 4.36Å; L378-F496 HydrophobicContact CB-CD2 4.48Å; L378-F496 HydrophobicContact CB-CE2 4.48Å; L378-F496 HydrophobicContact CD2-CD2 4.08Å; L378-F496 HydrophobicContact CD2-CE2 4.4Å
379	I	90.8	Very high	85.4	Confident	1 Å²	1	37.7 Å²	37.7	1%	0.005	17%	0.172	C	C	.	.	H	α-helix	trans	-65.7	-44.5	179.7	-64.8	164	0	0	0	111	L367 L375 W376 L381 L382 R383 L420 I424	L367-I379 HydrophobicContact CD2-CD1 4.03Å; L375-I379 WeakPolarHBondContact O-CG1 3.43Å; L375-I379 PolarHBondContact O-N 3.15Å; L375-I379 VanDerWaalsContact O-N 3.14Å; W376-I379 HydrophobicContact CE3-CB 4.49Å; W376-I379 HydrophobicContact CE3-CD1 4.24Å; W376-I379 HydrophobicContact CZ3-CG2 4.34Å; W376-I379 WeakPolarHBondContact O-CA 3.35Å; W376-I379 WeakPolarHBondContact O-CB 3.34Å; W376-I379 PolarHBondContact O-N 3.4Å; I379-L381 VanDerWaalsContact C-N 3.33Å; I379-L381 PolarHBondContact O-N 2.79Å; I379-L382 PolarHBondContact O-N 2.79Å; I379-R383 PolarHBondContact O-N 2.73Å; I379-L420 HydrophobicContact CD1-CD2 4.02Å; I379-I424 HydrophobicContact CD1-CD1 3.85Å; I379-I424 HydrophobicContact CG1-CD1 4.21Å; I379-I424 HydrophobicContact CG2-CD1 4.38Å
380	E	89.6	Confident	84.5	Confident	91 Å²	91	33.4 Å²	33.4	43%	0.425	16%	0.159	S	C	.	.	H	α-helix	trans	-61	-42.6	175.4	-79.8	-174.4	163.9	0	0	111.6	K368 W376 L382 R383 E384	K368-E380 IonicContact NZ-OE1 2.61Å; W376-E380 HydrophobicContact CZ2-CG 4.03Å; W376-E380 PolarHBondContact NE1-OE1 3.16Å; W376-E380 PolarHBondContact O-N 2.61Å; E380-L382 VanDerWaalsContact C-N 3.32Å; E380-L382 PolarHBondContact O-N 3.1Å; E380-R383 WeakPolarHBondContact O-CB 3.32Å; E380-R383 PolarHBondContact O-N 3.37Å; E380-E384 PolarHBondContact O-N 2.92Å
381	L	89.7	Confident	83	Confident	4 Å²	4	34.5 Å²	34.5	2%	0.021	18%	0.177	C	C	.	.	H	α-helix	trans	-59.6	-42.5	175.1	-176.8	73	0	0	0	111.6	L249 A377 L378 I379 E384 Y385 V494 V521	L249-L381 HydrophobicContact CD2-CB 4.35Å; L249-L381 HydrophobicContact CD2-CD2 4.4Å; A377-L381 WeakPolarHBondContact O-CB 3.35Å; A377-L381 PolarHBondContact O-N 2.97Å; L378-L381 PolarHBondContact O-N 3.2Å; I379-L381 VanDerWaalsContact C-N 3.33Å; I379-L381 PolarHBondContact O-N 2.79Å; L381-E384 WeakPolarHBondContact O-CB 3.43Å; L381-E384 PolarHBondContact O-N 3.42Å; L381-Y385 HydrophobicContact CD1-CD2 4.34Å; L381-Y385 HydrophobicContact CD1-CE2 3.59Å; L381-Y385 HydrophobicContact CD2-CE2 3.96Å; L381-Y385 HydrophobicContact CG-CD2 3.97Å; L381-Y385 HydrophobicContact CG-CE2 3.46Å; L381-Y385 VanDerWaalsContact CG-CE2 3.46Å; L381-Y385 WeakPolarHBondContact O-CD2 3.32Å; L381-Y385 PolarHBondContact O-N 3.23Å; L381-V494 HydrophobicContact CD2-CG1 4.24Å; L381-V494 HydrophobicContact CD2-CG2 3.77Å; L381-V521 HydrophobicContact CD2-CB 4.18Å; L381-V521 HydrophobicContact CD2-CG1 3.87Å; L381-V521 HydrophobicContact CD2-CG2 4.24Å
382	L	88.6	Confident	81.1	Confident	1 Å²	1	36.7 Å²	36.7	1%	0.005	20%	0.196	C	C	.	.	H	α-helix	trans	-68.4	-34.9	176.5	-65.8	174	0	0	0	112.7	L378 I379 E380 Y385 N386 L421 L432 L435 F474	L378-L382 HydrophobicContact CD1-CD1 4.4Å; L378-L382 HydrophobicContact CD1-CG 4.43Å; L378-L382 HydrophobicContact CG-CD1 4.31Å; L378-L382 VanDerWaalsContact O-CG 3.28Å; L378-L382 WeakPolarHBondContact O-CG 3.49Å; L378-L382 PolarHBondContact O-N 2.65Å; I379-L382 PolarHBondContact O-N 2.79Å; E380-L382 VanDerWaalsContact C-N 3.32Å; E380-L382 PolarHBondContact O-N 3.1Å; L382-Y385 PolarHBondContact O-N 2.93Å; L382-N386 WeakPolarHBondContact O-CB 3.25Å; L382-N386 PolarHBondContact O-N 2.74Å; L382-L421 HydrophobicContact CD1-CD1 4.24Å; L382-L421 HydrophobicContact CD1-CD2 3.92Å; L382-L432 HydrophobicContact CB-CD2 3.83Å; L382-L435 HydrophobicContact CD1-CD1 4.37Å; L382-L435 HydrophobicContact CD2-CD1 4.4Å; L382-F474 HydrophobicContact CD1-CE1 4.19Å; L382-F474 HydrophobicContact CD1-CZ 3.95Å; L382-F474 HydrophobicContact CD2-CE1 4.32Å; L382-F474 HydrophobicContact CD2-CE2 3.49Å; L382-F474 VanDerWaalsContact CD2-CE2 3.49Å; L382-F474 HydrophobicContact CD2-CZ 3.36Å; L382-F474 HydrophobicContact CG-CZ 4.28Å
383	R	86.6	Confident	79.2	Confident	68 Å²	68	40.3 Å²	40.3	26%	0.257	22%	0.218	S	C	.	.	H	α-helix	trans	-64.6	-41	171.6	-77.2	178.1	155.8	-164.7	-13.9	111.4	D365 I379 E380 N386 G387 E428 T431	D365-R383 IonicContact OD1-NH1 3.11Å; I379-R383 PolarHBondContact O-N 2.73Å; E380-R383 WeakPolarHBondContact O-CB 3.32Å; E380-R383 PolarHBondContact O-N 3.37Å; R383-N386 VanDerWaalsContact O-CB 3.32Å; R383-N386 WeakPolarHBondContact O-CB 3.5Å; R383-N386 PolarHBondContact O-N 2.86Å; R383-G387 PolarHBondContact O-N 3.29Å; R383-E428 IonicContact NH2-OE2 3.17Å; R383-E428 PolarHBondContact NH2-OE2 3.34Å; R383-T431 HydrophobicContact CG-CG2 4.13Å
384	E	85	Confident	77.3	Confident	67 Å²	67	48.7 Å²	48.7	31%	0.313	25%	0.252	S	S	.	.	H	α-helix	trans	-60.4	-47.8	175.1	179.9	177.8	-160.9	0	0	111.3	R247 E380 L381 N386 G387 R388	R247-E384 IonicContact NH1-OE2 3.32Å; R247-E384 PolarHBondContact NH1-OE2 3.45Å; R247-E384 VanDerWaalsContact NH1-OE2 3.11Å; E380-E384 PolarHBondContact O-N 2.92Å; L381-E384 WeakPolarHBondContact O-CB 3.43Å; L381-E384 PolarHBondContact O-N 3.42Å; E384-N386 VanDerWaalsContact C-N 3.35Å; E384-N386 PolarHBondContact O-N 3.45Å; E384-G387 PolarHBondContact O-N 2.93Å; E384-R388 PolarHBondContact O-N 3.47Å; E384-R388 IonicContact OE1-CZ 2.75Å; E384-R388 IonicContact OE1-NE 3.16Å; E384-R388 PolarHBondContact OE1-NE 3.45Å; E384-R388 IonicContact OE1-NH2 3.18Å; E384-R388 PolarHBondContact OE1-NH2 3.44Å
385	Y	81.2	Confident	75.2	Confident	1 Å²	1	51.9 Å²	51.9	0%	0.004	28%	0.278	C	S	.	.	H	α-helix	trans	-66.2	-34.8	177.6	-71.4	-54.6	0	0	0	113.3	L381 L382 G387 R388 Y389 V492 E519 V521	L381-Y385 HydrophobicContact CD1-CD2 4.34Å; L381-Y385 HydrophobicContact CD1-CE2 3.59Å; L381-Y385 HydrophobicContact CD2-CE2 3.96Å; L381-Y385 HydrophobicContact CG-CD2 3.97Å; L381-Y385 HydrophobicContact CG-CE2 3.46Å; L381-Y385 VanDerWaalsContact CG-CE2 3.46Å; L381-Y385 WeakPolarHBondContact O-CD2 3.32Å; L381-Y385 PolarHBondContact O-N 3.23Å; L382-Y385 PolarHBondContact O-N 2.93Å; Y385-G387 VanDerWaalsContact C-N 3.27Å; Y385-G387 PolarHBondContact O-N 3Å; Y385-R388 PolarHBondContact O-N 3.42Å; Y385-Y389 HydrophobicContact CD1-CD2 4.06Å; Y385-Y389 AromaticContact CD1-CE2 3.64Å; Y385-Y389 HydrophobicContact CD1-CE2 3.64Å; Y385-Y389 HydrophobicContact CE1-CE2 4.28Å; Y385-Y389 HydrophobicContact CG-CE2 4.41Å; Y385-Y389 PolarHBondContact O-N 3.45Å; Y385-V492 HydrophobicContact CD2-CG2 4.34Å; Y385-V492 HydrophobicContact CE2-CB 4.13Å; Y385-V492 HydrophobicContact CE2-CG1 4.46Å; Y385-V492 HydrophobicContact CE2-CG2 3.51Å; Y385-E519 PolarHBondContact OH-OE2 2.95Å; Y385-V521 WeakPolarHBondContact OH-CG2 3.39Å
386	N	74.3	Confident	72.7	Confident	37 Å²	37	57.3 Å²	57.3	20%	0.198	31%	0.307	C	S	.	.	H	α-helix	trans	-53.9	-49.1	171.1	-169.5	19.5	0	0	0	110.2	L382 R383 E384 F390 H434	L382-N386 WeakPolarHBondContact O-CB 3.25Å; L382-N386 PolarHBondContact O-N 2.74Å; R383-N386 VanDerWaalsContact O-CB 3.32Å; R383-N386 WeakPolarHBondContact O-CB 3.5Å; R383-N386 PolarHBondContact O-N 2.86Å; E384-N386 VanDerWaalsContact C-N 3.35Å; E384-N386 PolarHBondContact O-N 3.45Å; N386-F390 VanDerWaalsContact O-CB 3.3Å; N386-F390 WeakPolarHBondContact O-CB 3.42Å; N386-F390 PolarHBondContact O-N 3.03Å; N386-F390 VanDerWaalsContact O-N 3.09Å; N386-H434 VanDerWaalsContact CB-CE1 3.42Å; N386-H434 WeakPolarHBondContact CB-CE1 3.34Å; N386-H434 PolarHBondContact OD1-CE1 2.82Å; N386-H434 PolarHBondContact OD1-ND1 2.91Å
387	G	71.5	Confident	70.5	Confident	42 Å²	42	64.2 Å²	64.2	43%	0.433	35%	0.345	S	S	.	.	H	α-helix	trans	-60.9	-51	177.6	0	0	0	0	0	112.4	R383 E384 Y385 A391	R383-G387 PolarHBondContact O-N 3.29Å; E384-G387 PolarHBondContact O-N 2.93Å; Y385-G387 VanDerWaalsContact C-N 3.27Å; Y385-G387 PolarHBondContact O-N 3Å; G387-A391 WeakPolarHBondContact O-CB 3.48Å; G387-A391 PolarHBondContact O-N 3.29Å
388	R	73.5	Confident	68.5	Low	120 Å²	120	70.1 Å²	70.1	45%	0.453	38%	0.375	S	S	.	.	H	α-helix	trans	-64.9	-49.8	-175.2	-69.3	-179.1	-178.5	-170.7	0	113.5	E384 Y385 A392 E519	E384-R388 PolarHBondContact O-N 3.47Å; E384-R388 IonicContact OE1-CZ 2.75Å; E384-R388 IonicContact OE1-NE 3.16Å; E384-R388 PolarHBondContact OE1-NE 3.45Å; E384-R388 IonicContact OE1-NH2 3.18Å; E384-R388 PolarHBondContact OE1-NH2 3.44Å; Y385-R388 PolarHBondContact O-N 3.42Å; R388-A392 WeakPolarHBondContact O-CB 3.35Å; R388-E519 IonicContact NH1-OE1 3.33Å; R388-E519 PolarHBondContact NH1-OE1 3.3Å
389	Y	67.5	Low	66.8	Low	58 Å²	58	77.7 Å²	77.7	23%	0.227	42%	0.416	C	S	.	.	H	α-helix	trans	-82.3	-32.6	-173.1	-75.4	-78.2	0	0	0	113	Y385 T393 F402 N491	Y385-Y389 HydrophobicContact CD1-CD2 4.06Å; Y385-Y389 AromaticContact CD1-CE2 3.64Å; Y385-Y389 HydrophobicContact CD1-CE2 3.64Å; Y385-Y389 HydrophobicContact CE1-CE2 4.28Å; Y385-Y389 HydrophobicContact CG-CE2 4.41Å; Y385-Y389 PolarHBondContact O-N 3.45Å; Y389-T393 PolarHBondContact O-N 3.06Å; Y389-T393 PolarHBondContact O-OG1 3.03Å; Y389-F402 HydrophobicContact CD1-CD2 4.37Å; Y389-F402 AromaticContact CD2-CD2 3.68Å; Y389-F402 HydrophobicContact CD2-CD2 3.68Å; Y389-F402 AromaticContact CD2-CE2 3.77Å; Y389-F402 HydrophobicContact CD2-CE2 3.77Å; Y389-F402 HydrophobicContact CE2-CD2 4.06Å; Y389-F402 AromaticContact CE2-CE2 3.92Å; Y389-F402 HydrophobicContact CE2-CE2 3.92Å; Y389-F402 AromaticContact CG-CD2 3.85Å; Y389-F402 HydrophobicContact CG-CD2 3.85Å; Y389-F402 HydrophobicContact CG-CE2 4.41Å; Y389-N491 HydrophobicContact CE1-CB 4.34Å; Y389-N491 HydrophobicContact CE2-CB 4.47Å
390	F	65.5	Low	65.7	Low	76 Å²	76	82.1 Å²	82.1	33%	0.333	44%	0.44	S	S	.	.	H	α-helix	trans	-95.5	-14.5	-177.5	-67	-90	0	0	0	114.3	N386 T393 F402 H434	N386-F390 VanDerWaalsContact O-CB 3.3Å; N386-F390 WeakPolarHBondContact O-CB 3.42Å; N386-F390 PolarHBondContact O-N 3.03Å; N386-F390 VanDerWaalsContact O-N 3.09Å; F390-T393 WeakPolarHBondContact CA-OG1 3.48Å; F390-T393 PolarHBondContact O-OG1 3Å; F390-F402 HydrophobicContact CE2-CB 3.89Å; F390-F402 HydrophobicContact CE2-CG 4.26Å; F390-F402 HydrophobicContact CZ-CB 3.92Å; F390-H434 HydrophobicContact CD1-CB 4.09Å; F390-H434 HydrophobicContact CD2-CB 4.15Å; F390-H434 AromaticContact CD2-CD2 3.65Å; F390-H434 AromaticContact CD2-CG 3.64Å; F390-H434 HydrophobicContact CE1-CB 3.59Å; F390-H434 HydrophobicContact CE2-CB 3.71Å; F390-H434 AromaticContact CE2-CD2 2.97Å; F390-H434 WeakPolarHBondContact CE2-CD2 3.43Å; F390-H434 AromaticContact CE2-CG 3.29Å; F390-H434 AromaticContact CE2-NE2 3.65Å; F390-H434 HydrophobicContact CG-CB 4.34Å; F390-H434 HydrophobicContact CZ-CB 3.39Å; F390-H434 AromaticContact CZ-CD2 3.46Å; F390-H434 VanDerWaalsContact CZ-CD2 3.46Å; F390-H434 WeakPolarHBondContact CZ-CD2 3.26Å; F390-H434 AromaticContact CZ-CG 3.55Å
391	A	57	Low	65.1	Low	71 Å²	71	81.5 Å²	81.5	59%	0.587	44%	0.443	S	S	*	.	H	α-helix	trans	-74.3	-37.3	162.5	0	0	0	0	0	111.5	G387	G387-A391 WeakPolarHBondContact O-CB 3.48Å; G387-A391 PolarHBondContact O-N 3.29Å
392	A	50.9	Low	64.8	Low	49 Å²	49	81.8 Å²	81.8	41%	0.405	44%	0.444	S	S	.	.	H	α-helix	trans	-73.4	-26.5	-177.8	0	0	0	0	0	114.4	R388 K394 S395 N396	R388-A392 WeakPolarHBondContact O-CB 3.35Å; A392-K394 PolarHBondContact O-N 3.13Å; A392-S395 PolarHBondContact O-N 3.45Å; A392-S395 PolarHBondContact O-OG 3.4Å; A392-N396 PolarHBondContact O-N 2.94Å
393	T	49.6	Very low	64.8	Low	80 Å²	80	81.7 Å²	81.7	49%	0.491	44%	0.444	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.8	-8.2	178.1	32.7	0	0	0	0	113.9	Y389 F390 S395	Y389-T393 PolarHBondContact O-N 3.06Å; Y389-T393 PolarHBondContact O-OG1 3.03Å; F390-T393 WeakPolarHBondContact CA-OG1 3.48Å; F390-T393 PolarHBondContact O-OG1 3Å; T393-S395 PolarHBondContact O-N 2.87Å
394	K	48.3	Very low	65	Low	201 Å²	201	78.5 Å²	78.5	87%	0.874	43%	0.432	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.3	-12.3	164.8	-75.7	-171	176.7	-176.8	0	113.3	A392	A392-K394 PolarHBondContact O-N 3.13Å
395	S	44.3	Very low	65.4	Low	90 Å²	90	75.3 Å²	75.3	63%	0.629	42%	0.417	S	S	*	.	T	Hydrogen-bonded Turn	trans	-119.3	-19.2	-173.4	47.2	0	0	0	0	116	A392 T393	A392-S395 PolarHBondContact O-N 3.45Å; A392-S395 PolarHBondContact O-OG 3.4Å; T393-S395 PolarHBondContact O-N 2.87Å
396	N	38.7	Very low	66	Low	116 Å²	116	75.2 Å²	75.2	62%	0.62	42%	0.417	S	S	*	.			trans	-129.6	131.1	-178.9	-85.8	-6.1	0	0	0	113.2	A392 D398	A392-N396 PolarHBondContact O-N 2.94Å; N396-D398 PolarHBondContact O-N 3.39Å; N396-D398 VanDerWaalsContact O-N 3.11Å
397	D	44.2	Very low	67	Low	163 Å²	163	73.5 Å²	73.5	87%	0.872	41%	0.408	S	S	*	.			trans	-72.8	14.5	177.7	-146.3	11	0	0	0	113.3	N399	D397-N399 PolarHBondContact O-N 2.85Å
398	D	49.1	Very low	68	Low	135 Å²	135	71.8 Å²	71.8	72%	0.722	39%	0.388	S	S	*	.			trans	-79.7	100.3	178.1	-93.9	-19.8	0	0	0	109.4	N396 D400	N396-D398 PolarHBondContact O-N 3.39Å; N396-D398 VanDerWaalsContact O-N 3.11Å; D398-D400 PolarHBondContact O-N 3.33Å
399	N	56.5	Low	68.8	Low	161 Å²	161	71.8 Å²	71.8	86%	0.861	39%	0.394	S	S	*	.			trans	-56.6	23.8	-179.9	-119.9	-18.3	0	0	0	116	D397 P401	D397-N399 PolarHBondContact O-N 2.85Å; N399-P401 WeakPolarHBondContact O-CD 3.19Å
400	D	67.4	Low	69.7	Low	94 Å²	94	72.6 Å²	72.6	50%	0.503	40%	0.396	S	S	.	.			trans	-97	95.4	-173.8	-160.6	26	0	0	0	111.9	D398 K515	D398-D400 PolarHBondContact O-N 3.33Å; D400-K515 VanDerWaalsContact CG-CE 3.46Å; D400-K515 WeakPolarHBondContact OD1-CE 3.49Å; D400-K515 IonicContact OD1-NZ 3.85Å; D400-K515 PolarHBondContact OD1-NZ 2.98Å; D400-K515 WeakPolarHBondContact OD2-CD 3.39Å; D400-K515 WeakPolarHBondContact OD2-CE 3.32Å; D400-K515 IonicContact OD2-NZ 3.67Å; D400-K515 PolarHBondContact OD2-NZ 3.32Å
401	P	77.5	Confident	70.6	Confident	77 Å²	77	72.7 Å²	72.7	50%	0.5	40%	0.395	S	S	.	.			trans	-64.4	138.2	-172.1	26.3	-35.9	0	0	0	112	N399 C403 K515	N399-P401 WeakPolarHBondContact O-CD 3.19Å; P401-C403 PolarHBondContact O-N 3.39Å; P401-K515 PolarHBondContact O-NZ 2.92Å
402	F	84.3	Confident	72	Confident	10 Å²	10	70.5 Å²	70.5	4%	0.044	37%	0.371	C	S	.	.			trans	-55.1	130.5	176.2	176.1	-94.5	0	0	0	111	Y389 F390 L435 N473 F474 N491 V492	Y389-F402 HydrophobicContact CD1-CD2 4.37Å; Y389-F402 AromaticContact CD2-CD2 3.68Å; Y389-F402 HydrophobicContact CD2-CD2 3.68Å; Y389-F402 AromaticContact CD2-CE2 3.77Å; Y389-F402 HydrophobicContact CD2-CE2 3.77Å; Y389-F402 HydrophobicContact CE2-CD2 4.06Å; Y389-F402 AromaticContact CE2-CE2 3.92Å; Y389-F402 HydrophobicContact CE2-CE2 3.92Å; Y389-F402 AromaticContact CG-CD2 3.85Å; Y389-F402 HydrophobicContact CG-CD2 3.85Å; Y389-F402 HydrophobicContact CG-CE2 4.41Å; F390-F402 HydrophobicContact CE2-CB 3.89Å; F390-F402 HydrophobicContact CE2-CG 4.26Å; F390-F402 HydrophobicContact CZ-CB 3.92Å; F402-L435 HydrophobicContact CD1-CD2 3.89Å; F402-L435 HydrophobicContact CE1-CD2 3.49Å; F402-L435 VanDerWaalsContact CE1-CD2 3.49Å; F402-N473 VanDerWaalsContact O-CB 3.28Å; F402-N473 WeakPolarHBondContact O-CB 3Å; F402-N473 PolarHBondContact O-ND2 2.89Å; F402-F474 HydrophobicContact CE1-CD2 4.11Å; F402-N491 WeakPolarHBondContact CA-OD1 3.23Å; F402-N491 HydrophobicContact CD2-CB 4.05Å; F402-N491 HydrophobicContact CE2-CB 4.11Å; F402-V492 HydrophobicContact CE2-CG1 4.03Å; F402-V492 HydrophobicContact CZ-CG1 3.61Å
403	C	88.2	Confident	73.9	Confident	0 Å²	0	68.6 Å²	68.6	0%	0	35%	0.354	C	S	.	.			trans	-138	129.7	-179.4	-178.4	0	0	0	0	110.3	P401 F467 N473 C490 N491 V492	P401-C403 PolarHBondContact O-N 3.39Å; C403-F467 WeakPolarHBondContact SG-CZ 3.46Å; C403-N473 CarbonylContact C-O 3.57Å; C403-N473 WeakPolarHBondContact CA-O 3.43Å; C403-C490 CarbonylContact O-C 3.59Å; C403-C490 WeakPolarHBondContact O-CA 3.44Å; C403-C490 VanDerWaalsContact SG-SG 3.65Å; C403-N491 PolarHBondContact N-OD1 2.76Å; C403-N491 PolarHBondContact O-N 3.37Å; C403-V492 PolarHBondContact O-N 3.16Å
404	G	90.8	Very high	75.9	Confident	0 Å²	0	64.8 Å²	64.8	0%	0	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	150.3	-175.6	0	0	0	0	0	114.8	N473 F474 I475 V492	G404-N473 PolarHBondContact N-O 2.83Å; G404-F474 WeakPolarHBondContact O-CA 3.23Å; G404-I475 PolarHBondContact O-N 3.2Å; G404-V492 VanDerWaalsContact CA-O 3.28Å; G404-V492 WeakPolarHBondContact CA-O 3.41Å
405	I	92.7	Very high	77.9	Confident	0 Å²	0	57.9 Å²	57.9	0%	0	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	136	176.5	-59.7	173.8	0	0	0	110.1	F407 F467 I475 V487 C490 V492 V493 V494 R512	I405-F407 HydrophobicContact CG2-CD2 3.98Å; I405-F407 HydrophobicContact CG2-CE1 4.32Å; I405-F407 HydrophobicContact CG2-CE2 3.69Å; I405-F407 HydrophobicContact CG2-CG 4.42Å; I405-F407 HydrophobicContact CG2-CZ 3.89Å; I405-F467 HydrophobicContact CG1-CZ 4.17Å; I405-I475 CarbonylContact C-O 3.52Å; I405-I475 WeakPolarHBondContact CA-O 3.17Å; I405-V487 HydrophobicContact CD1-CG1 3.78Å; I405-C490 WeakPolarHBondContact CD1-SG 3.28Å; I405-V492 PolarHBondContact N-O 3.38Å; I405-V493 CarbonylContact O-C 3.58Å; I405-V493 WeakPolarHBondContact O-CA 3.46Å; I405-V494 PolarHBondContact O-N 3.47Å; I405-R512 HydrophobicContact CD1-CB 4.18Å; I405-R512 HydrophobicContact CD1-CG 4.22Å
406	V	94.5	Very high	80.2	Confident	0 Å²	0	53.8 Å²	53.8	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	119.4	167.9	-176.2	0	0	0	0	108.9	L378 V408 F474 I475 I476 A477 V494 F496	L378-V406 HydrophobicContact CD1-CG1 4.46Å; L378-V406 HydrophobicContact CD1-CG2 4.04Å; L378-V406 HydrophobicContact CD2-CG1 4.22Å; V406-V408 HydrophobicContact CG1-CG1 4.23Å; V406-F474 HydrophobicContact CG2-CE1 3.61Å; V406-F474 HydrophobicContact CG2-CE2 4.33Å; V406-F474 HydrophobicContact CG2-CZ 3.3Å; V406-I475 PolarHBondContact N-O 3.35Å; V406-I476 HydrophobicContact CB-CG1 4.22Å; V406-I476 HydrophobicContact CB-CG2 4.29Å; V406-I476 HydrophobicContact CG1-CG2 4.46Å; V406-I476 CarbonylContact O-C 3.54Å; V406-I476 WeakPolarHBondContact O-CA 3.42Å; V406-A477 PolarHBondContact O-N 3.15Å; V406-V494 CarbonylContact C-O 3.59Å; V406-V494 VanDerWaalsContact CA-O 3.28Å; V406-V494 WeakPolarHBondContact CA-O 3.43Å; V406-V494 HydrophobicContact CG1-CB 4.46Å; V406-V494 HydrophobicContact CG2-CB 4.17Å; V406-V494 HydrophobicContact CG2-CG2 4.5Å; V406-F496 HydrophobicContact CG1-CB 3.89Å
407	F	94.2	Very high	82.9	Confident	1 Å²	1	48.3 Å²	48.3	0%	0.004	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	127.9	172.5	-74.5	-74.1	0	0	0	111.2	I405 A477 L481 E482 V493 V494 F496 D497	I405-F407 HydrophobicContact CG2-CD2 3.98Å; I405-F407 HydrophobicContact CG2-CE1 4.32Å; I405-F407 HydrophobicContact CG2-CE2 3.69Å; I405-F407 HydrophobicContact CG2-CG 4.42Å; I405-F407 HydrophobicContact CG2-CZ 3.89Å; F407-A477 CarbonylContact C-O 3.46Å; F407-A477 VanDerWaalsContact CA-O 3.26Å; F407-A477 WeakPolarHBondContact CA-O 3.44Å; F407-L481 HydrophobicContact CE1-CB 4.04Å; F407-L481 HydrophobicContact CZ-CB 4.32Å; F407-E482 HydrophobicContact CD1-CG 4.01Å; F407-E482 HydrophobicContact CE1-CG 3.53Å; F407-E482 HydrophobicContact CZ-CG 3.86Å; F407-V493 HydrophobicContact CD2-CG1 3.79Å; F407-V493 HydrophobicContact CE2-CG1 3.84Å; F407-V494 PolarHBondContact N-O 2.88Å; F407-F496 WeakPolarHBondContact O-CB 3.45Å; F407-F496 PolarHBondContact O-N 3.07Å; F407-D497 PolarHBondContact O-N 2.79Å
408	V	93.1	Very high	85.2	Confident	5 Å²	5	42.3 Å²	42.3	3%	0.03	21%	0.208	C	C	.	.			trans	-125	151.9	176	-61.4	0	0	0	0	110.1	V406 T413 A414 I417 I476 A477 T478 F496 D497	V406-V408 HydrophobicContact CG1-CG1 4.23Å; V408-T413 HydrophobicContact CB-CG2 4.08Å; V408-T413 HydrophobicContact CG1-CG2 3.9Å; V408-A414 HydrophobicContact CG2-CB 3.64Å; V408-I417 HydrophobicContact CG1-CD1 3.91Å; V408-I476 HydrophobicContact CG1-CG2 4.03Å; V408-I476 HydrophobicContact CG2-CG2 4.22Å; V408-A477 PolarHBondContact N-O 2.99Å; V408-T478 HydrophobicContact CG2-CG2 4.28Å; V408-T478 WeakPolarHBondContact O-CA 3.49Å; V408-F496 HydrophobicContact CG1-CB 3.79Å; V408-F496 HydrophobicContact CG1-CD1 4.12Å; V408-F496 HydrophobicContact CG1-CG 4.17Å; V408-D497 WeakPolarHBondContact CA-OD2 3.28Å
409	E	89.5	Confident	87.3	Confident	121 Å²	121	36.6 Å²	36.6	57%	0.565	18%	0.179	S	C	*	.	S	Bend	trans	-75.6	-42.2	179.6	-172.3	-176.5	162	0	0	111.9	D497	E409-D497 HydrophobicContact CB-CB 4.16Å; E409-D497 PolarHBondContact N-OD2 3.18Å
410	R	87.2	Confident	89	Confident	75 Å²	75	29 Å²	29	28%	0.283	14%	0.139	S	C	.	.	S	Bend	trans	-104.2	140.9	-168.4	-55.8	-177.1	-179.9	162.6	-17.1	112.3	N303 Y412 T413 A414	N303-R410 VanDerWaalsContact CB-NH1 3.31Å; N303-R410 PolarHBondContact OD1-NH1 3.45Å; N303-R410 PolarHBondContact OD1-NH2 3.34Å; R410-Y412 HydrophobicContact CB-CD1 3.87Å; R410-Y412 HydrophobicContact CB-CE1 3.54Å; R410-Y412 VanDerWaalsContact CD-CE1 3.5Å; R410-Y412 WeakPolarHBondContact CD-OH 3.35Å; R410-Y412 HydrophobicContact CG-CE1 4.09Å; R410-Y412 PolarHBondContact NH1-OH 3.13Å; R410-T413 WeakPolarHBondContact O-CB 3.32Å; R410-T413 PolarHBondContact O-N 3.29Å; R410-A414 PolarHBondContact O-N 2.97Å
411	R	84.9	Confident	90.2	Very high	78 Å²	78	24.6 Å²	24.6	29%	0.294	12%	0.115	S	C	.	.	H	α-helix	trans	-63.2	-45	-176	-59.1	-175	-169.1	163.5	1	113.4	T413 A414 Y415 V441 G442 F449 T478	R411-T413 VanDerWaalsContact C-N 3.26Å; R411-T413 PolarHBondContact O-N 3.42Å; R411-A414 WeakPolarHBondContact O-CB 3.43Å; R411-A414 PolarHBondContact O-N 2.75Å; R411-Y415 PolarHBondContact O-N 2.96Å; R411-V441 HydrophobicContact CB-CB 4.21Å; R411-V441 HydrophobicContact CB-CG1 4.09Å; R411-V441 HydrophobicContact CG-CB 4.08Å; R411-V441 HydrophobicContact CG-CG1 4.36Å; R411-G442 PolarHBondContact NE-O 3.4Å; R411-G442 PolarHBondContact NH1-O 2.9Å; R411-G442 PolarHBondContact NH2-O 2.92Å; R411-F449 HydrophobicContact CB-CD1 4.21Å; R411-F449 HydrophobicContact CB-CE1 4.47Å; R411-T478 HydrophobicContact CG-CG2 4.28Å
412	Y	85.2	Confident	90.9	Very high	25 Å²	25	24 Å²	24	10%	0.098	11%	0.11	C	C	.	.	H	α-helix	trans	-61.3	-36.8	175.2	50.2	-73.5	0	0	0	112.2	R300 N303 V304 R410 A414 Y415 L416 F449	R300-Y412 HydrophobicContact CG-CD1 4.23Å; R300-Y412 HydrophobicContact CG-CD2 4.36Å; R300-Y412 HydrophobicContact CG-CE1 4.16Å; R300-Y412 HydrophobicContact CG-CE2 4.35Å; R300-Y412 HydrophobicContact CG-CG 4.26Å; N303-Y412 WeakPolarHBondContact CB-OH 3.46Å; V304-Y412 HydrophobicContact CG2-CD2 3.49Å; V304-Y412 VanDerWaalsContact CG2-CD2 3.49Å; V304-Y412 HydrophobicContact CG2-CE2 3.43Å; V304-Y412 VanDerWaalsContact CG2-CE2 3.43Å; R410-Y412 HydrophobicContact CB-CD1 3.87Å; R410-Y412 HydrophobicContact CB-CE1 3.54Å; R410-Y412 VanDerWaalsContact CD-CE1 3.5Å; R410-Y412 WeakPolarHBondContact CD-OH 3.35Å; R410-Y412 HydrophobicContact CG-CE1 4.09Å; R410-Y412 PolarHBondContact NH1-OH 3.13Å; Y412-A414 PolarHBondContact O-N 2.87Å; Y412-Y415 PolarHBondContact O-N 2.94Å; Y412-L416 HydrophobicContact CD2-CD1 4.07Å; Y412-L416 WeakPolarHBondContact O-CB 3.38Å; Y412-L416 VanDerWaalsContact O-CG 3.27Å; Y412-L416 WeakPolarHBondContact O-CG 3.45Å; Y412-L416 PolarHBondContact O-N 3.21Å; Y412-F449 AromaticContact CD1-CE1 3.8Å; Y412-F449 HydrophobicContact CD1-CE1 3.8Å; Y412-F449 AromaticContact CD1-CE2 3.76Å; Y412-F449 HydrophobicContact CD1-CE2 3.76Å; Y412-F449 AromaticContact CD1-CZ 3.09Å; Y412-F449 HydrophobicContact CD1-CZ 3.09Å; Y412-F449 HydrophobicContact CE1-CE2 4.34Å; Y412-F449 HydrophobicContact CE1-CZ 4.04Å; Y412-F449 AromaticContact CG-CE1 4Å; Y412-F449 HydrophobicContact CG-CE1 4Å; Y412-F449 AromaticContact CG-CZ 3.52Å; Y412-F449 HydrophobicContact CG-CZ 3.52Å
413	T	91.7	Very high	91.2	Very high	8 Å²	8	24.2 Å²	24.2	5%	0.049	11%	0.114	C	C	.	.	H	α-helix	trans	-59.6	-39.9	179	-57.6	0	0	0	0	110.4	L308 V408 R410 R411 Y415 L416 I417 F496	L308-T413 HydrophobicContact CD1-CG2 4.11Å; L308-T413 HydrophobicContact CD2-CG2 3.83Å; L308-T413 HydrophobicContact CG-CG2 4.5Å; V408-T413 HydrophobicContact CB-CG2 4.08Å; V408-T413 HydrophobicContact CG1-CG2 3.9Å; R410-T413 WeakPolarHBondContact O-CB 3.32Å; R410-T413 PolarHBondContact O-N 3.29Å; R411-T413 VanDerWaalsContact C-N 3.26Å; R411-T413 PolarHBondContact O-N 3.42Å; T413-Y415 PolarHBondContact O-N 3.42Å; T413-L416 PolarHBondContact O-N 3.12Å; T413-I417 HydrophobicContact CG2-CD1 3.7Å; T413-I417 HydrophobicContact CG2-CG1 4.2Å; T413-I417 WeakPolarHBondContact O-CB 3.43Å; T413-I417 VanDerWaalsContact O-CG1 3.26Å; T413-I417 WeakPolarHBondContact O-CG1 3.42Å; T413-I417 PolarHBondContact O-N 3.3Å; T413-F496 HydrophobicContact CG2-CD1 4.43Å; T413-F496 HydrophobicContact CG2-CE1 4.31Å
414	A	91.8	Very high	91.4	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-60.3	-47.8	176.2	0	0	0	0	0	112	V408 R410 R411 Y412 H418 V441 I476	V408-A414 HydrophobicContact CG2-CB 3.64Å; R410-A414 PolarHBondContact O-N 2.97Å; R411-A414 WeakPolarHBondContact O-CB 3.43Å; R411-A414 PolarHBondContact O-N 2.75Å; Y412-A414 PolarHBondContact O-N 2.87Å; A414-H418 WeakPolarHBondContact O-CB 3.14Å; A414-H418 PolarHBondContact O-N 2.85Å; A414-H418 VanDerWaalsContact O-N 3.08Å; A414-V441 HydrophobicContact CB-CG1 3.65Å; A414-I476 HydrophobicContact CB-CG2 3.93Å
415	Y	90.2	Very high	91.4	Very high	57 Å²	57	26.1 Å²	26.1	22%	0.224	12%	0.122	C	C	.	.	H	α-helix	trans	-63	-46.7	177.7	170.6	-104.8	0	0	0	112.4	K315 E319 R411 Y412 T413 H418 A419 F439	K315-Y415 WeakPolarHBondContact CE-OH 3.34Å; E319-Y415 HydrophobicContact CG-CE1 3.8Å; E319-Y415 PolarHBondContact OE1-OH 3.4Å; R411-Y415 PolarHBondContact O-N 2.96Å; Y412-Y415 PolarHBondContact O-N 2.94Å; T413-Y415 PolarHBondContact O-N 3.42Å; Y415-H418 WeakPolarHBondContact O-CB 3.22Å; Y415-H418 PolarHBondContact O-N 2.76Å; Y415-A419 WeakPolarHBondContact O-CB 3.39Å; Y415-A419 PolarHBondContact O-N 3.08Å; Y415-F439 HydrophobicContact CD2-CE1 4.04Å; Y415-F439 HydrophobicContact CD2-CZ 4.05Å
416	L	92.9	Very high	91.2	Very high	3 Å²	3	30.1 Å²	30.1	2%	0.016	15%	0.15	C	C	.	.	H	α-helix	trans	-68.2	-38.9	-176.2	-69.6	175.7	0	0	0	112.2	V304 L308 P312 K315 A316 Y412 T413 A419 L420	V304-L416 HydrophobicContact CB-CD1 4.42Å; V304-L416 HydrophobicContact CG1-CD1 3.8Å; V304-L416 HydrophobicContact CG2-CD1 3.62Å; L308-L416 HydrophobicContact CD1-CB 4.04Å; L308-L416 HydrophobicContact CD1-CD1 3.76Å; P312-L416 HydrophobicContact CB-CB 4.33Å; P312-L416 HydrophobicContact CB-CD1 4.35Å; K315-L416 HydrophobicContact CB-CD2 4.16Å; K315-L416 HydrophobicContact CG-CD2 4.12Å; A316-L416 HydrophobicContact CB-CD1 4.2Å; A316-L416 HydrophobicContact CB-CD2 4.18Å; Y412-L416 HydrophobicContact CD2-CD1 4.07Å; Y412-L416 WeakPolarHBondContact O-CB 3.38Å; Y412-L416 VanDerWaalsContact O-CG 3.27Å; Y412-L416 WeakPolarHBondContact O-CG 3.45Å; Y412-L416 PolarHBondContact O-N 3.21Å; T413-L416 PolarHBondContact O-N 3.12Å; L416-A419 PolarHBondContact O-N 2.92Å; L416-L420 WeakPolarHBondContact O-CB 3.41Å; L416-L420 PolarHBondContact O-N 3.18Å
417	I	94.4	Very high	90.9	Very high	1 Å²	1	33 Å²	33	1%	0.005	16%	0.162	C	C	.	.	H	α-helix	trans	-64.8	-44	173.3	-66.5	177.5	0	0	0	110	L308 L375 L378 V408 T413 A419 L420 L421 I476 F496	L308-I417 HydrophobicContact CD2-CG1 4.43Å; L375-I417 HydrophobicContact CD1-CD1 4.17Å; L375-I417 HydrophobicContact CD1-CG1 3.86Å; L378-I417 HydrophobicContact CD2-CD1 4.29Å; L378-I417 HydrophobicContact CD2-CG2 4.03Å; V408-I417 HydrophobicContact CG1-CD1 3.91Å; T413-I417 HydrophobicContact CG2-CD1 3.7Å; T413-I417 HydrophobicContact CG2-CG1 4.2Å; T413-I417 WeakPolarHBondContact O-CB 3.43Å; T413-I417 VanDerWaalsContact O-CG1 3.26Å; T413-I417 WeakPolarHBondContact O-CG1 3.42Å; T413-I417 PolarHBondContact O-N 3.3Å; I417-A419 PolarHBondContact O-N 3.28Å; I417-L420 PolarHBondContact O-N 3.04Å; I417-L421 HydrophobicContact CG2-CD1 4.04Å; I417-L421 HydrophobicContact CG2-CG 4.33Å; I417-L421 WeakPolarHBondContact O-CG 3.42Å; I417-L421 PolarHBondContact O-N 3.28Å; I417-I476 HydrophobicContact CB-CG2 4.43Å; I417-I476 HydrophobicContact CG2-CD1 4.48Å; I417-I476 HydrophobicContact CG2-CG1 3.96Å; I417-F496 HydrophobicContact CD1-CD1 4.44Å; I417-F496 HydrophobicContact CD1-CD2 4.41Å; I417-F496 HydrophobicContact CD1-CE1 4.46Å; I417-F496 HydrophobicContact CD1-CE2 4.43Å; I417-F496 HydrophobicContact CD1-CG 4.41Å; I417-F496 HydrophobicContact CD1-CZ 4.45Å
418	H	93.4	Very high	90.5	Very high	38 Å²	38	35 Å²	35	18%	0.176	17%	0.171	C	C	.	.	H	α-helix	trans	-56.9	-50.2	173.8	164.5	-95.2	0	0	0	111.8	A414 Y415 L420 L421 V422 F439 I476	A414-H418 WeakPolarHBondContact O-CB 3.14Å; A414-H418 PolarHBondContact O-N 2.85Å; A414-H418 VanDerWaalsContact O-N 3.08Å; Y415-H418 WeakPolarHBondContact O-CB 3.22Å; Y415-H418 PolarHBondContact O-N 2.76Å; H418-L420 VanDerWaalsContact C-N 3.28Å; H418-L420 PolarHBondContact O-N 2.83Å; H418-L421 PolarHBondContact O-N 2.97Å; H418-V422 WeakPolarHBondContact O-CG2 2.93Å; H418-V422 PolarHBondContact O-N 3.48Å; H418-F439 HydrophobicContact CB-CB 4.04Å; H418-F439 HydrophobicContact CB-CD1 4.22Å; H418-F439 HydrophobicContact CB-CG 4.45Å; H418-F439 AromaticContact CG-CD1 3.84Å; H418-F439 AromaticContact ND1-CD1 3.79Å; H418-I476 HydrophobicContact CB-CD1 4.12Å
419	A	92.1	Very high	89.9	Confident	14 Å²	14	38.8 Å²	38.8	12%	0.116	20%	0.195	C	C	.	.	H	α-helix	trans	-59.8	-39.1	179.2	0	0	0	0	0	112	K315 Y415 L416 I417 A423	K315-A419 HydrophobicContact CG-CB 4.34Å; Y415-A419 WeakPolarHBondContact O-CB 3.39Å; Y415-A419 PolarHBondContact O-N 3.08Å; L416-A419 PolarHBondContact O-N 2.92Å; I417-A419 PolarHBondContact O-N 3.28Å; A419-A423 WeakPolarHBondContact O-CB 3.38Å; A419-A423 PolarHBondContact O-N 3.19Å
420	L	93.2	Very high	89.4	Confident	1 Å²	1	42.2 Å²	42.2	1%	0.005	21%	0.208	C	C	.	.	H	α-helix	trans	-66.4	-46	176.4	-179.5	65.8	0	0	0	112.1	W311 L367 V371 L375 I379 L416 I417 H418 V422 A423 I424	W311-L420 HydrophobicContact CD2-CD1 3.71Å; W311-L420 HydrophobicContact CE3-CB 4.21Å; W311-L420 HydrophobicContact CE3-CD1 3.37Å; W311-L420 HydrophobicContact CE3-CG 4.35Å; W311-L420 HydrophobicContact CG-CD1 4.31Å; W311-L420 HydrophobicContact CH2-CD1 4.18Å; W311-L420 HydrophobicContact CZ2-CD1 4.47Å; W311-L420 HydrophobicContact CZ3-CB 3.84Å; W311-L420 HydrophobicContact CZ3-CD1 3.64Å; W311-L420 HydrophobicContact CZ3-CG 4.36Å; L367-L420 HydrophobicContact CD1-CD1 3.85Å; L367-L420 HydrophobicContact CD2-CD1 3.77Å; L367-L420 HydrophobicContact CD2-CD2 4.41Å; L367-L420 HydrophobicContact CD2-CG 4.38Å; L367-L420 HydrophobicContact CG-CD1 4.43Å; V371-L420 HydrophobicContact CG1-CD2 4.28Å; L375-L420 HydrophobicContact CD1-CD2 4.27Å; L375-L420 HydrophobicContact CD2-CD2 3.5Å; L375-L420 HydrophobicContact CG-CD2 3.92Å; I379-L420 HydrophobicContact CD1-CD2 4.02Å; L416-L420 WeakPolarHBondContact O-CB 3.41Å; L416-L420 PolarHBondContact O-N 3.18Å; I417-L420 PolarHBondContact O-N 3.04Å; H418-L420 VanDerWaalsContact C-N 3.28Å; H418-L420 PolarHBondContact O-N 2.83Å; L420-V422 VanDerWaalsContact C-N 3.33Å; L420-V422 PolarHBondContact O-N 2.81Å; L420-A423 WeakPolarHBondContact O-CB 3.5Å; L420-A423 PolarHBondContact O-N 3.22Å; L420-A423 VanDerWaalsContact O-N 3.15Å; L420-I424 HydrophobicContact CD1-CD1 4.4Å; L420-I424 HydrophobicContact CG-CD1 4.02Å; L420-I424 WeakPolarHBondContact O-CG1 3.18Å; L420-I424 PolarHBondContact O-N 3.25Å
421	L	92.9	Very high	88.9	Confident	3 Å²	3	39.8 Å²	39.8	2%	0.016	20%	0.202	C	C	.	.	H	α-helix	trans	-63.3	-40	179	-67.9	175.4	0	0	0	111.7	L382 I417 H418 A423 I424 Q425 L432 V437 F474 I476	L382-L421 HydrophobicContact CD1-CD1 4.24Å; L382-L421 HydrophobicContact CD1-CD2 3.92Å; I417-L421 HydrophobicContact CG2-CD1 4.04Å; I417-L421 HydrophobicContact CG2-CG 4.33Å; I417-L421 WeakPolarHBondContact O-CG 3.42Å; I417-L421 PolarHBondContact O-N 3.28Å; H418-L421 PolarHBondContact O-N 2.97Å; L421-A423 VanDerWaalsContact C-N 3.33Å; L421-I424 HydrophobicContact CD2-CD1 4.45Å; L421-I424 PolarHBondContact O-N 3.11Å; L421-Q425 WeakPolarHBondContact O-CG 3.28Å; L421-Q425 PolarHBondContact O-N 3Å; L421-L432 HydrophobicContact CD2-CD1 3.92Å; L421-V437 HydrophobicContact CB-CG1 4.41Å; L421-V437 HydrophobicContact CB-CG2 4.28Å; L421-V437 HydrophobicContact CD1-CG1 4.07Å; L421-F474 HydrophobicContact CD1-CD1 4.44Å; L421-F474 HydrophobicContact CD1-CE1 4.08Å; L421-I476 HydrophobicContact CD1-CD1 3.97Å
422	V	91.6	Very high	88.7	Confident	64 Å²	64	36 Å²	36	39%	0.388	19%	0.188	S	C	.	.	H	α-helix	trans	-63.8	-39.3	173.4	173.4	0	0	0	0	111.3	H418 L420 Q425 S426	H418-V422 WeakPolarHBondContact O-CG2 2.93Å; H418-V422 PolarHBondContact O-N 3.48Å; L420-V422 VanDerWaalsContact C-N 3.33Å; L420-V422 PolarHBondContact O-N 2.81Å; V422-Q425 PolarHBondContact O-N 2.95Å; V422-S426 PolarHBondContact O-N 3.36Å; V422-S426 VanDerWaalsContact O-N 3.09Å
423	A	91.5	Very high	88.5	Confident	14 Å²	14	40.5 Å²	40.5	12%	0.116	21%	0.213	C	C	.	.	H	α-helix	trans	-65.1	-43.2	176	0	0	0	0	0	111.9	W311 A419 L420 L421 Q425 S426 W427	W311-A423 HydrophobicContact CH2-CB 3.56Å; W311-A423 HydrophobicContact CZ2-CB 3.55Å; A419-A423 WeakPolarHBondContact O-CB 3.38Å; A419-A423 PolarHBondContact O-N 3.19Å; L420-A423 WeakPolarHBondContact O-CB 3.5Å; L420-A423 PolarHBondContact O-N 3.22Å; L420-A423 VanDerWaalsContact O-N 3.15Å; L421-A423 VanDerWaalsContact C-N 3.33Å; A423-Q425 VanDerWaalsContact C-N 3.32Å; A423-Q425 PolarHBondContact O-N 3.44Å; A423-S426 WeakPolarHBondContact O-CB 3.45Å; A423-S426 PolarHBondContact O-N 2.88Å; A423-S426 PolarHBondContact O-OG 3.23Å; A423-W427 HydrophobicContact CB-CH2 4.11Å; A423-W427 HydrophobicContact CB-CZ2 3.8Å; A423-W427 VanDerWaalsContact O-CG 3.23Å; A423-W427 PolarHBondContact O-N 3.41Å
424	I	91	Very high	87.9	Confident	0 Å²	0	41.4 Å²	41.4	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-58	-44.3	174.8	-68.7	165.3	0	0	0	111	C364 L367 I379 L420 L421 S426 W427 E428 T431 L432	C364-I424 VanDerWaalsContact SG-CG2 3.56Å; L367-I424 HydrophobicContact CD2-CD1 3.7Å; L367-I424 HydrophobicContact CD2-CG1 3.89Å; I379-I424 HydrophobicContact CD1-CD1 3.85Å; I379-I424 HydrophobicContact CG1-CD1 4.21Å; I379-I424 HydrophobicContact CG2-CD1 4.38Å; L420-I424 HydrophobicContact CD1-CD1 4.4Å; L420-I424 HydrophobicContact CG-CD1 4.02Å; L420-I424 WeakPolarHBondContact O-CG1 3.18Å; L420-I424 PolarHBondContact O-N 3.25Å; L421-I424 HydrophobicContact CD2-CD1 4.45Å; L421-I424 PolarHBondContact O-N 3.11Å; I424-S426 PolarHBondContact O-N 3.17Å; I424-W427 HydrophobicContact CG1-CE3 4.27Å; I424-W427 HydrophobicContact CG1-CZ3 4.14Å; I424-W427 PolarHBondContact O-N 2.82Å; I424-E428 PolarHBondContact O-N 3.41Å; I424-T431 HydrophobicContact CG2-CG2 4.49Å; I424-L432 HydrophobicContact CG2-CD1 4.15Å
425	Q	90.5	Very high	87.7	Confident	40 Å²	40	41.6 Å²	41.6	19%	0.187	22%	0.218	C	C	.	.	H	α-helix	trans	-63.2	-29.8	176.5	-71.3	175.1	-34.2	0	0	113.1	L421 V422 A423 P429 L432 L435	L421-Q425 WeakPolarHBondContact O-CG 3.28Å; L421-Q425 PolarHBondContact O-N 3Å; V422-Q425 PolarHBondContact O-N 2.95Å; A423-Q425 VanDerWaalsContact C-N 3.32Å; A423-Q425 PolarHBondContact O-N 3.44Å; Q425-P429 WeakPolarHBondContact O-CA 3.37Å; Q425-L432 HydrophobicContact CG-CB 4.23Å; Q425-L432 PolarHBondContact NE2-O 2.76Å; Q425-L435 PolarHBondContact NE2-O 2.94Å
426	S	89.7	Confident	87.7	Confident	84 Å²	84	44.3 Å²	44.3	59%	0.587	23%	0.231	S	C	*	.	H	α-helix	trans	-75	-35.6	176.3	78.9	0	0	0	0	112.5	V422 A423 I424	V422-S426 PolarHBondContact O-N 3.36Å; V422-S426 VanDerWaalsContact O-N 3.09Å; A423-S426 WeakPolarHBondContact O-CB 3.45Å; A423-S426 PolarHBondContact O-N 2.88Å; A423-S426 PolarHBondContact O-OG 3.23Å; I424-S426 PolarHBondContact O-N 3.17Å
427	W	88.4	Confident	87.7	Confident	62 Å²	62	44.4 Å²	44.4	24%	0.235	23%	0.231	C	C	.	.	H	α-helix	trans	-76.9	-44.8	179.4	-60.7	-20.4	0	0	0	112.8	W311 V361 K362 L367 A423 I424	W311-W427 AromaticContact CD1-CH2 3.89Å; W311-W427 HydrophobicContact CD2-CH2 4.46Å; W311-W427 AromaticContact CE2-CH2 3.61Å; W311-W427 AromaticContact CE2-CZ2 3.84Å; W311-W427 AromaticContact CZ2-CH2 3.87Å; W311-W427 HydrophobicContact CZ2-CH2 3.87Å; W311-W427 AromaticContact CZ2-CZ2 3.79Å; W311-W427 HydrophobicContact CZ2-CZ2 3.79Å; W311-W427 AromaticContact NE1-CH2 3.26Å; W311-W427 VanDerWaalsContact NE1-CH2 3.26Å; W311-W427 AromaticContact NE1-CZ2 3.48Å; V361-W427 HydrophobicContact CG1-CH2 4.14Å; V361-W427 HydrophobicContact CG1-CZ3 4.1Å; K362-W427 WeakPolarHBondContact O-CB 3.39Å; L367-W427 HydrophobicContact CB-CZ3 4.36Å; L367-W427 HydrophobicContact CD1-CH2 4.28Å; L367-W427 HydrophobicContact CD1-CZ3 4.17Å; L367-W427 HydrophobicContact CD2-CZ3 4.19Å; L367-W427 HydrophobicContact CG-CZ3 4.46Å; A423-W427 HydrophobicContact CB-CH2 4.11Å; A423-W427 HydrophobicContact CB-CZ2 3.8Å; A423-W427 VanDerWaalsContact O-CG 3.23Å; A423-W427 PolarHBondContact O-N 3.41Å; I424-W427 HydrophobicContact CG1-CE3 4.27Å; I424-W427 HydrophobicContact CG1-CZ3 4.14Å; I424-W427 PolarHBondContact O-N 2.82Å
428	E	85.6	Confident	87.5	Confident	42 Å²	42	44.4 Å²	44.4	20%	0.196	23%	0.232	C	C	.	.			trans	-127.5	85.4	-178.7	-69	174.7	-164	0	0	109.7	C364 R383 I424 K430 T431	C364-E428 PolarHBondContact N-OE1 3.18Å; R383-E428 IonicContact NH2-OE2 3.17Å; R383-E428 PolarHBondContact NH2-OE2 3.34Å; I424-E428 PolarHBondContact O-N 3.41Å; E428-K430 PolarHBondContact O-N 3.35Å; E428-T431 WeakPolarHBondContact CB-OG1 2.88Å; E428-T431 WeakPolarHBondContact O-CB 3.27Å; E428-T431 PolarHBondContact O-N 3.48Å; E428-T431 WeakPolarHBondContact OE2-CB 3.4Å; E428-T431 PolarHBondContact OE2-OG1 3.33Å
429	P	80.3	Confident	87.4	Confident	84 Å²	84	44.1 Å²	44.1	55%	0.545	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.5	-18.2	-174.3	-26.2	34.4	0	0	0	114.9	Q425 N433	Q425-P429 WeakPolarHBondContact O-CA 3.37Å; P429-N433 WeakPolarHBondContact O-CB 3.45Å; P429-N433 VanDerWaalsContact O-CG 3.31Å
430	K	78.6	Confident	87.2	Confident	193 Å²	193	43.6 Å²	43.6	84%	0.839	23%	0.225	S	C	*	.	T	Hydrogen-bonded Turn	trans	-80.6	-28.7	174.8	-65.3	-177	-179.3	177.8	0	112.1	E428	E428-K430 PolarHBondContact O-N 3.35Å
431	T	76.8	Confident	86.7	Confident	24 Å²	24	43.9 Å²	43.9	15%	0.147	23%	0.227	C	C	.	.	S	Bend	trans	-82.6	121	-178.6	-50	0	0	0	0	108.1	R383 I424 E428 N433	R383-T431 HydrophobicContact CG-CG2 4.13Å; I424-T431 HydrophobicContact CG2-CG2 4.49Å; E428-T431 WeakPolarHBondContact CB-OG1 2.88Å; E428-T431 WeakPolarHBondContact O-CB 3.27Å; E428-T431 PolarHBondContact O-N 3.48Å; E428-T431 WeakPolarHBondContact OE2-CB 3.4Å; E428-T431 PolarHBondContact OE2-OG1 3.33Å; T431-N433 PolarHBondContact O-N 3.2Å
432	L	81.8	Confident	85.6	Confident	0 Å²	0	44.3 Å²	44.3	0%	0	23%	0.232	C	C	.	.	S	Bend	trans	62.8	15.7	179	-49.3	179	0	0	0	116	L382 L421 I424 Q425 H434 L435	L382-L432 HydrophobicContact CB-CD2 3.83Å; L421-L432 HydrophobicContact CD2-CD1 3.92Å; I424-L432 HydrophobicContact CG2-CD1 4.15Å; Q425-L432 HydrophobicContact CG-CB 4.23Å; Q425-L432 PolarHBondContact NE2-O 2.76Å; L432-H434 PolarHBondContact O-N 3.38Å; L432-H434 VanDerWaalsContact O-N 3.09Å; L432-L435 HydrophobicContact CB-CD1 4.07Å; L432-L435 HydrophobicContact CB-CG 4.39Å; L432-L435 HydrophobicContact CD1-CD1 4.45Å; L432-L435 HydrophobicContact CD2-CD1 3.92Å; L432-L435 HydrophobicContact CG-CD1 4.36Å; L432-L435 WeakPolarHBondContact O-CB 3.26Å; L432-L435 PolarHBondContact O-N 2.94Å
433	N	79.5	Confident	84.1	Confident	118 Å²	118	44.6 Å²	44.6	63%	0.631	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	-52.8	-35.3	-178.9	-164.2	14.6	0	0	0	114.2	P429 T431 L435	P429-N433 WeakPolarHBondContact O-CB 3.45Å; P429-N433 VanDerWaalsContact O-CG 3.31Å; T431-N433 PolarHBondContact O-N 3.2Å; N433-L435 PolarHBondContact O-N 2.73Å
434	H	80.6	Confident	82.2	Confident	28 Å²	28	50.7 Å²	50.7	13%	0.13	27%	0.267	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.9	-15.3	-177.8	65	-81.5	0	0	0	113.1	N386 F390 L432 K436 N473	N386-H434 VanDerWaalsContact CB-CE1 3.42Å; N386-H434 WeakPolarHBondContact CB-CE1 3.34Å; N386-H434 PolarHBondContact OD1-CE1 2.82Å; N386-H434 PolarHBondContact OD1-ND1 2.91Å; F390-H434 HydrophobicContact CD1-CB 4.09Å; F390-H434 HydrophobicContact CD2-CB 4.15Å; F390-H434 AromaticContact CD2-CD2 3.65Å; F390-H434 AromaticContact CD2-CG 3.64Å; F390-H434 HydrophobicContact CE1-CB 3.59Å; F390-H434 HydrophobicContact CE2-CB 3.71Å; F390-H434 AromaticContact CE2-CD2 2.97Å; F390-H434 WeakPolarHBondContact CE2-CD2 3.43Å; F390-H434 AromaticContact CE2-CG 3.29Å; F390-H434 AromaticContact CE2-NE2 3.65Å; F390-H434 HydrophobicContact CG-CB 4.34Å; F390-H434 HydrophobicContact CZ-CB 3.39Å; F390-H434 AromaticContact CZ-CD2 3.46Å; F390-H434 VanDerWaalsContact CZ-CD2 3.46Å; F390-H434 WeakPolarHBondContact CZ-CD2 3.26Å; F390-H434 AromaticContact CZ-CG 3.55Å; L432-H434 PolarHBondContact O-N 3.38Å; L432-H434 VanDerWaalsContact O-N 3.09Å; H434-K436 PolarHBondContact O-N 2.67Å; H434-N473 PolarHBondContact O-ND2 3.33Å
435	L	87.2	Confident	79.9	Confident	3 Å²	3	56.3 Å²	56.3	2%	0.016	30%	0.297	C	S	.	.			trans	-83.3	110.1	178.8	-60.3	-176.7	0	0	0	110	L382 F402 Q425 L432 N433 V437 F474	L382-L435 HydrophobicContact CD1-CD1 4.37Å; L382-L435 HydrophobicContact CD2-CD1 4.4Å; F402-L435 HydrophobicContact CD1-CD2 3.89Å; F402-L435 HydrophobicContact CE1-CD2 3.49Å; F402-L435 VanDerWaalsContact CE1-CD2 3.49Å; Q425-L435 PolarHBondContact NE2-O 2.94Å; L432-L435 HydrophobicContact CB-CD1 4.07Å; L432-L435 HydrophobicContact CB-CG 4.39Å; L432-L435 HydrophobicContact CD1-CD1 4.45Å; L432-L435 HydrophobicContact CD2-CD1 3.92Å; L432-L435 HydrophobicContact CG-CD1 4.36Å; L432-L435 WeakPolarHBondContact O-CB 3.26Å; L432-L435 PolarHBondContact O-N 2.94Å; N433-L435 PolarHBondContact O-N 2.73Å; L435-V437 HydrophobicContact CB-CG2 3.86Å; L435-V437 PolarHBondContact O-N 3.31Å; L435-F474 HydrophobicContact CB-CB 4.37Å; L435-F474 HydrophobicContact CD1-CG 4.48Å; L435-F474 HydrophobicContact CD2-CB 4.08Å; L435-F474 HydrophobicContact CD2-CD2 4Å; L435-F474 HydrophobicContact CD2-CG 4.15Å
436	K	90.3	Very high	77.4	Confident	115 Å²	115	61.5 Å²	61.5	50%	0.5	33%	0.331	S	S	.	.			trans	-88.5	85.5	166.5	-60	-177.9	-171.3	172.5	0	107.9	H434 G471 K472 N473 F474	H434-K436 PolarHBondContact O-N 2.67Å; K436-G471 WeakPolarHBondContact CD-O 3.27Å; K436-K472 HydrophobicContact CB-CD 4.02Å; K436-K472 WeakPolarHBondContact O-CD 3.31Å; K436-N473 PolarHBondContact N-OD1 3.35Å; K436-N473 PolarHBondContact O-N 3.24Å; K436-F474 PolarHBondContact O-N 3.42Å
437	V	91.8	Very high	74.8	Confident	4 Å²	4	63.2 Å²	63.2	2%	0.024	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	141.7	-172.9	-163.6	0	0	0	0	111.4	L421 L435 K472 F474 I476	L421-V437 HydrophobicContact CB-CG1 4.41Å; L421-V437 HydrophobicContact CB-CG2 4.28Å; L421-V437 HydrophobicContact CD1-CG1 4.07Å; L435-V437 HydrophobicContact CB-CG2 3.86Å; L435-V437 PolarHBondContact O-N 3.31Å; V437-K472 PolarHBondContact O-NZ 2.69Å; V437-F474 CarbonylContact C-O 3.58Å; V437-F474 WeakPolarHBondContact CA-O 3.38Å; V437-F474 HydrophobicContact CG1-CD1 4.23Å; V437-I476 HydrophobicContact CG1-CD1 3.29Å
438	C	91.5	Very high	72.2	Confident	2 Å²	2	62.6 Å²	62.6	1%	0.014	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.4	173.4	162.3	59	0	0	0	0	110.7	N463 K472 F474 I475 I476	C438-N463 HydrophobicContact CB-CB 4.33Å; C438-K472 HydrophobicContact CB-CD 4.14Å; C438-K472 HydrophobicContact CB-CG 4.25Å; C438-F474 PolarHBondContact N-O 2.85Å; C438-I475 WeakPolarHBondContact O-CA 3.46Å; C438-I475 WeakPolarHBondContact SG-CG1 3.45Å; C438-I476 PolarHBondContact O-N 2.64Å
439	F	90.1	Very high	70.3	Confident	32 Å²	32	62.8 Å²	62.8	14%	0.14	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	152.4	176	77.6	-82.9	0	0	0	112.3	Y415 H418 V441 N463 I476	Y415-F439 HydrophobicContact CD2-CE1 4.04Å; Y415-F439 HydrophobicContact CD2-CZ 4.05Å; H418-F439 HydrophobicContact CB-CB 4.04Å; H418-F439 HydrophobicContact CB-CD1 4.22Å; H418-F439 HydrophobicContact CB-CG 4.45Å; H418-F439 AromaticContact CG-CD1 3.84Å; H418-F439 AromaticContact ND1-CD1 3.79Å; F439-V441 HydrophobicContact CD2-CG1 4.16Å; F439-V441 HydrophobicContact CD2-CG2 4.47Å; F439-V441 HydrophobicContact CE2-CG2 4.22Å; F439-N463 PolarHBondContact O-ND2 3.33Å; F439-I476 CarbonylContact C-O 3.56Å; F439-I476 WeakPolarHBondContact CA-O 3.38Å; F439-I476 WeakPolarHBondContact CB-O 3.29Å
440	V	87.8	Confident	68.5	Low	2 Å²	2	62.1 Å²	62.1	1%	0.012	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	124	179.7	-178.6	0	0	0	0	110.4	N463 I464 I475 I476 A477 T478 V480 L481	V440-N463 HydrophobicContact CG2-CB 4.39Å; V440-I464 HydrophobicContact CG1-CD1 4.02Å; V440-I464 HydrophobicContact CG1-CG1 4.21Å; V440-I464 HydrophobicContact CG2-CG1 4.03Å; V440-I475 HydrophobicContact CB-CG2 4.47Å; V440-I475 HydrophobicContact CG2-CD1 4.5Å; V440-I475 HydrophobicContact CG2-CG2 4.21Å; V440-I476 PolarHBondContact N-O 2.89Å; V440-A477 HydrophobicContact CB-CB 4.32Å; V440-A477 WeakPolarHBondContact O-CA 3.31Å; V440-T478 PolarHBondContact O-N 3.3Å; V440-V480 HydrophobicContact CG1-CG1 4.45Å; V440-L481 HydrophobicContact CB-CD1 4.18Å; V440-L481 HydrophobicContact CB-CG 4.39Å; V440-L481 HydrophobicContact CG1-CD1 4.47Å; V440-L481 HydrophobicContact CG1-CD2 4.2Å; V440-L481 HydrophobicContact CG1-CG 4.2Å; V440-L481 HydrophobicContact CG2-CD1 4.32Å
441	V	83.5	Confident	66.4	Low	8 Å²	8	56.2 Å²	56.2	5%	0.048	32%	0.321	C	S	.	.			trans	-134.1	157.6	-176.1	-66	0	0	0	0	112	R411 A414 F439 Q460 T478	R411-V441 HydrophobicContact CB-CB 4.21Å; R411-V441 HydrophobicContact CB-CG1 4.09Å; R411-V441 HydrophobicContact CG-CB 4.08Å; R411-V441 HydrophobicContact CG-CG1 4.36Å; A414-V441 HydrophobicContact CB-CG1 3.65Å; F439-V441 HydrophobicContact CD2-CG1 4.16Å; F439-V441 HydrophobicContact CD2-CG2 4.47Å; F439-V441 HydrophobicContact CE2-CG2 4.22Å; V441-Q460 PolarHBondContact O-OE1 3.23Å; V441-T478 HydrophobicContact CG1-CG2 4.1Å
442	G	69.6	Low	64.4	Low	12 Å²	12	57.7 Å²	57.7	12%	0.124	33%	0.33	C	S	.	.			trans	-79	143.5	-174.3	0	0	0	0	0	114.3	R411 T478 V480	R411-G442 PolarHBondContact NE-O 3.4Å; R411-G442 PolarHBondContact NH1-O 2.9Å; R411-G442 PolarHBondContact NH2-O 2.92Å; G442-T478 PolarHBondContact N-OG1 3.38Å; G442-V480 VanDerWaalsContact N-CG2 3.27Å
443	C	60.6	Low	62.6	Low	70 Å²	70	63.5 Å²	63.5	47%	0.473	36%	0.361	S	S	.	.			trans	-107.1	65.5	-179.9	-68.8	0	0	0	0	112.6	Y457	C443-Y457 HydrophobicContact CB-CD2 4.18Å; C443-Y457 HydrophobicContact CB-CE2 4.36Å
444	N	50.7	Low	60.8	Low	142 Å²	142	68.1 Å²	68.1	76%	0.759	37%	0.369	S	S	*	.			trans	-98.4	3.9	-179.1	-73.7	6	0	0	0	114.9
445	N	43.5	Very low	59.1	Low	118 Å²	118	72.5 Å²	72.5	63%	0.631	39%	0.389	S	S	*	.			trans	-158.8	121.4	175.1	-113.5	-26.5	0	0	0	112.1	N447	N445-N447 PolarHBondContact O-N 3.19Å
446	V	37.6	Very low	57.6	Low	149 Å²	149	74.3 Å²	74.3	90%	0.903	40%	0.398	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.9	-17.1	175.2	-175.8	0	0	0	0	112
447	N	35.2	Very low	55.9	Low	119 Å²	119	74.4 Å²	74.4	64%	0.636	40%	0.396	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.6	8.8	-167.6	-79.4	-20.3	0	0	0	116.3	N445	N445-N447 PolarHBondContact O-N 3.19Å
448	S	34.2	Very low	54.6	Low	50 Å²	50	82 Å²	82	35%	0.35	42%	0.424	S	S	.	.	S	Bend	trans	-160.5	132.7	178.4	178.9	0	0	0	0	111.5
449	F	45.5	Very low	53.8	Low	46 Å²	46	86.4 Å²	86.4	20%	0.202	44%	0.444	C	S	.	.	S	Bend	trans	109.5	-21.1	152.9	-142.8	-83	0	0	0	116.9	R300 R411 Y412	R300-F449 HydrophobicContact CG-CE2 4.23Å; R300-F449 HydrophobicContact CG-CZ 4.04Å; R300-F449 VanDerWaalsContact CZ-CD2 3.41Å; R300-F449 VanDerWaalsContact NH1-CZ 3.35Å; R411-F449 HydrophobicContact CB-CD1 4.21Å; R411-F449 HydrophobicContact CB-CE1 4.47Å; Y412-F449 AromaticContact CD1-CE1 3.8Å; Y412-F449 HydrophobicContact CD1-CE1 3.8Å; Y412-F449 AromaticContact CD1-CE2 3.76Å; Y412-F449 HydrophobicContact CD1-CE2 3.76Å; Y412-F449 AromaticContact CD1-CZ 3.09Å; Y412-F449 HydrophobicContact CD1-CZ 3.09Å; Y412-F449 HydrophobicContact CE1-CE2 4.34Å; Y412-F449 HydrophobicContact CE1-CZ 4.04Å; Y412-F449 AromaticContact CG-CE1 4Å; Y412-F449 HydrophobicContact CG-CE1 4Å; Y412-F449 AromaticContact CG-CZ 3.52Å; Y412-F449 HydrophobicContact CG-CZ 3.52Å
450	V	41.6	Very low	53	Low	69 Å²	69	85.7 Å²	85.7	42%	0.418	44%	0.442	S	S	.	.			trans	-136.9	107.4	166.7	-173.5	0	0	0	0	107.1	V452 E456	V450-V452 HydrophobicContact CG1-CB 3.41Å; V450-V452 VanDerWaalsContact CG1-CB 3.41Å; V450-V452 HydrophobicContact CG1-CG2 3.74Å; V450-V452 PolarHBondContact O-N 2.69Å; V450-E456 VanDerWaalsContact CG1-CD 3.47Å; V450-E456 WeakPolarHBondContact CG1-OE2 3.47Å
451	A	35	Very low	52.3	Low	70 Å²	70	89.8 Å²	89.8	58%	0.579	46%	0.461	S	S	*	.			trans	-70.8	22.2	169.6	0	0	0	0	0	112.1	A326	A326-A451 HydrophobicContact CB-CB 4.44Å
452	V	35.2	Very low	52.3	Low	55 Å²	55	93.4 Å²	93.4	33%	0.333	48%	0.477	S	S	.	.			trans	-118.8	101.3	-172.8	-170.5	0	0	0	0	108.9	V450 E456	V450-V452 HydrophobicContact CG1-CB 3.41Å; V450-V452 VanDerWaalsContact CG1-CB 3.41Å; V450-V452 HydrophobicContact CG1-CG2 3.74Å; V450-V452 PolarHBondContact O-N 2.69Å; V452-E456 HydrophobicContact CB-CG 4.15Å; V452-E456 VanDerWaalsContact CB-OE1 3.28Å; V452-E456 WeakPolarHBondContact CB-OE1 3.32Å; V452-E456 HydrophobicContact CG1-CG 3.79Å; V452-E456 WeakPolarHBondContact CG1-OE1 3.3Å
453	N	42.9	Very low	52.9	Low	122 Å²	122	94 Å²	94	65%	0.652	48%	0.478	S	S	*	.			trans	32.2	141.3	145.5	-65.6	-33.3	0	0	0	119.5	H455 E456	N453-H455 HydrophobicContact CB-CB 3.96Å; N453-H455 PolarHBondContact O-N 3.08Å; N453-E456 PolarHBondContact O-N 3.47Å
454	R	42.6	Very low	53.8	Low	215 Å²	215	91.4 Å²	91.4	81%	0.811	46%	0.459	S	S	*	.	H	α-helix	trans	-39.2	-21.6	160.2	-150.4	-177.2	-73.3	-165.3	-1.6	114.5
455	H	44.4	Very low	55.3	Low	119 Å²	119	89.7 Å²	89.7	55%	0.551	45%	0.449	S	S	*	.	H	α-helix	trans	-58.6	-40.8	170.9	-117.2	-79.3	0	0	0	114.6	N453 R458 Q459	N453-H455 HydrophobicContact CB-CB 3.96Å; N453-H455 PolarHBondContact O-N 3.08Å; H455-R458 PolarHBondContact O-N 2.66Å; H455-Q459 WeakPolarHBondContact O-CG 3.43Å; H455-Q459 PolarHBondContact O-N 3.44Å
456	E	55.8	Low	57.2	Low	42 Å²	42	89.8 Å²	89.8	20%	0.196	44%	0.44	C	S	.	.	H	α-helix	trans	-71.5	-33.4	-178.5	-78	-166.8	-178.1	0	0	112.7	V450 V452 N453 R458 Q459 Q460	V450-E456 VanDerWaalsContact CG1-CD 3.47Å; V450-E456 WeakPolarHBondContact CG1-OE2 3.47Å; V452-E456 HydrophobicContact CB-CG 4.15Å; V452-E456 VanDerWaalsContact CB-OE1 3.28Å; V452-E456 WeakPolarHBondContact CB-OE1 3.32Å; V452-E456 HydrophobicContact CG1-CG 3.79Å; V452-E456 WeakPolarHBondContact CG1-OE1 3.3Å; N453-E456 PolarHBondContact O-N 3.47Å; E456-R458 VanDerWaalsContact C-N 3.34Å; E456-R458 PolarHBondContact O-N 2.67Å; E456-Q459 CarbonylContact O-C 3.6Å; E456-Q459 WeakPolarHBondContact O-CB 3.43Å; E456-Q459 PolarHBondContact O-N 2.92Å; E456-Q460 WeakPolarHBondContact O-CG 3.4Å; E456-Q460 PolarHBondContact O-N 2.92Å
457	Y	55.7	Low	59.5	Low	117 Å²	117	82.8 Å²	82.8	46%	0.459	40%	0.398	S	S	.	.	H	α-helix	trans	-61.3	-45.1	173.5	-177.5	-99.4	0	0	0	111.3	C443 Q459 Q460 E461	C443-Y457 HydrophobicContact CB-CD2 4.18Å; C443-Y457 HydrophobicContact CB-CE2 4.36Å; Y457-Q459 VanDerWaalsContact C-N 3.31Å; Y457-Q459 PolarHBondContact O-N 3.21Å; Y457-Q460 WeakPolarHBondContact O-CB 3.37Å; Y457-Q460 PolarHBondContact O-N 3.18Å; Y457-Q460 VanDerWaalsContact O-N 3.12Å; Y457-E461 HydrophobicContact CE1-CG 4.29Å; Y457-E461 PolarHBondContact O-N 2.95Å; Y457-E461 VanDerWaalsContact O-N 3.12Å
458	R	64.3	Low	61.5	Low	164 Å²	164	80.2 Å²	80.2	62%	0.619	38%	0.382	S	S	*	.	H	α-helix	trans	-61.1	-40.8	173.9	-76.6	-176.6	176.4	155.2	-3.3	111.7	H455 E456 Q460 E461 E462	H455-R458 PolarHBondContact O-N 2.66Å; E456-R458 VanDerWaalsContact C-N 3.34Å; E456-R458 PolarHBondContact O-N 2.67Å; R458-Q460 VanDerWaalsContact C-N 3.28Å; R458-Q460 PolarHBondContact O-N 3.28Å; R458-E461 PolarHBondContact O-N 2.92Å; R458-E462 WeakPolarHBondContact O-CB 3.38Å; R458-E462 PolarHBondContact O-N 2.69Å
459	Q	73.1	Confident	63.8	Low	93 Å²	93	82.3 Å²	82.3	44%	0.435	40%	0.396	S	S	.	.	H	α-helix	trans	-64.2	-32.1	175.2	-73.6	-179.9	17.2	0	0	112.6	H455 E456 Y457 E462 N463	H455-Q459 WeakPolarHBondContact O-CG 3.43Å; H455-Q459 PolarHBondContact O-N 3.44Å; E456-Q459 CarbonylContact O-C 3.6Å; E456-Q459 WeakPolarHBondContact O-CB 3.43Å; E456-Q459 PolarHBondContact O-N 2.92Å; Y457-Q459 VanDerWaalsContact C-N 3.31Å; Y457-Q459 PolarHBondContact O-N 3.21Å; Q459-E462 PolarHBondContact O-N 3.1Å; Q459-N463 VanDerWaalsContact O-CB 3.28Å; Q459-N463 WeakPolarHBondContact O-CB 3.44Å; Q459-N463 PolarHBondContact O-N 2.91Å; Q459-N463 PolarHBondContact O-ND2 3.41Å
460	Q	74.6	Confident	65.4	Low	18 Å²	18	81.5 Å²	81.5	8%	0.084	40%	0.402	C	S	.	.	H	α-helix	trans	-69.6	-45.7	176.3	-72	174.3	19.9	0	0	112.1	V441 E456 Y457 R458 E462 N463 I464	V441-Q460 PolarHBondContact O-OE1 3.23Å; E456-Q460 WeakPolarHBondContact O-CG 3.4Å; E456-Q460 PolarHBondContact O-N 2.92Å; Y457-Q460 WeakPolarHBondContact O-CB 3.37Å; Y457-Q460 PolarHBondContact O-N 3.18Å; Y457-Q460 VanDerWaalsContact O-N 3.12Å; R458-Q460 VanDerWaalsContact C-N 3.28Å; R458-Q460 PolarHBondContact O-N 3.28Å; Q460-E462 VanDerWaalsContact C-N 3.28Å; Q460-E462 PolarHBondContact O-N 3.32Å; Q460-N463 PolarHBondContact O-N 3Å; Q460-I464 WeakPolarHBondContact O-CG1 3.43Å; Q460-I464 PolarHBondContact O-N 3.15Å
461	E	72.9	Confident	67.4	Low	88 Å²	88	80 Å²	80	41%	0.411	40%	0.4	S	S	.	.	H	α-helix	trans	-59.3	-43.6	172.6	-74.1	-171.8	152.1	0	0	110.9	Y457 R458 N463 I464 L465	Y457-E461 HydrophobicContact CE1-CG 4.29Å; Y457-E461 PolarHBondContact O-N 2.95Å; Y457-E461 VanDerWaalsContact O-N 3.12Å; R458-E461 PolarHBondContact O-N 2.92Å; E461-N463 PolarHBondContact O-N 3.3Å; E461-I464 PolarHBondContact O-N 3Å; E461-L465 WeakPolarHBondContact O-CG 3.34Å; E461-L465 PolarHBondContact O-N 3.29Å
462	E	82.5	Confident	70	Confident	83 Å²	83	79.1 Å²	79.1	39%	0.388	38%	0.383	S	S	.	.	H	α-helix	trans	-62.1	-41.1	175.7	-172.8	178.7	-172.9	0	0	112.2	R458 Q459 Q460 I464 L465 R466	R458-E462 WeakPolarHBondContact O-CB 3.38Å; R458-E462 PolarHBondContact O-N 2.69Å; Q459-E462 PolarHBondContact O-N 3.1Å; Q460-E462 VanDerWaalsContact C-N 3.28Å; Q460-E462 PolarHBondContact O-N 3.32Å; E462-I464 VanDerWaalsContact C-N 3.31Å; E462-I464 PolarHBondContact O-N 2.68Å; E462-L465 PolarHBondContact O-N 2.77Å; E462-R466 HydrophobicContact CG-CG 4.26Å; E462-R466 WeakPolarHBondContact O-CB 3.36Å; E462-R466 VanDerWaalsContact O-CG 3.28Å; E462-R466 WeakPolarHBondContact O-CG 3.26Å; E462-R466 PolarHBondContact O-N 2.77Å; E462-R466 IonicContact OE1-CZ 2.67Å; E462-R466 IonicContact OE1-NE 2.83Å; E462-R466 PolarHBondContact OE1-NE 2.93Å; E462-R466 IonicContact OE1-NH2 3.66Å; E462-R466 PolarHBondContact OE1-NH2 3.14Å
463	N	84.2	Confident	72.5	Confident	26 Å²	26	77.5 Å²	77.5	14%	0.139	37%	0.372	C	S	.	.	H	α-helix	trans	-61.9	-39.7	176.1	-78.7	-23.6	0	0	0	111.6	C438 F439 V440 Q459 Q460 E461 F467	C438-N463 HydrophobicContact CB-CB 4.33Å; F439-N463 PolarHBondContact O-ND2 3.33Å; V440-N463 HydrophobicContact CG2-CB 4.39Å; Q459-N463 VanDerWaalsContact O-CB 3.28Å; Q459-N463 WeakPolarHBondContact O-CB 3.44Å; Q459-N463 PolarHBondContact O-N 2.91Å; Q459-N463 PolarHBondContact O-ND2 3.41Å; Q460-N463 PolarHBondContact O-N 3Å; E461-N463 PolarHBondContact O-N 3.3Å; N463-F467 VanDerWaalsContact O-CB 3.32Å; N463-F467 WeakPolarHBondContact O-CB 3.21Å; N463-F467 PolarHBondContact O-N 3.13Å
464	I	79.4	Confident	74.9	Confident	15 Å²	15	71.7 Å²	71.7	8%	0.077	34%	0.341	C	S	.	.	H	α-helix	trans	-65.3	-46.4	175.9	-65.2	167.5	0	0	0	110.2	V440 Q460 E461 E462 F467 Q468 L481 F485	V440-I464 HydrophobicContact CG1-CD1 4.02Å; V440-I464 HydrophobicContact CG1-CG1 4.21Å; V440-I464 HydrophobicContact CG2-CG1 4.03Å; Q460-I464 WeakPolarHBondContact O-CG1 3.43Å; Q460-I464 PolarHBondContact O-N 3.15Å; E461-I464 PolarHBondContact O-N 3Å; E462-I464 VanDerWaalsContact C-N 3.31Å; E462-I464 PolarHBondContact O-N 2.68Å; I464-F467 WeakPolarHBondContact O-CB 3.35Å; I464-F467 PolarHBondContact O-N 3.48Å; I464-Q468 WeakPolarHBondContact O-CG 3.31Å; I464-Q468 PolarHBondContact O-N 3.41Å; I464-L481 HydrophobicContact CD1-CD2 4.25Å; I464-L481 HydrophobicContact CG1-CD2 4.33Å; I464-F485 HydrophobicContact CD1-CD1 3.91Å; I464-F485 HydrophobicContact CD1-CE1 3.7Å; I464-F485 HydrophobicContact CD1-CZ 4.14Å; I464-F485 HydrophobicContact CG2-CD1 4.14Å
465	L	81.1	Confident	77.2	Confident	105 Å²	105	61.5 Å²	61.5	55%	0.55	30%	0.303	S	S	.	.	H	α-helix	trans	-63.4	-42.1	177.6	-69	170	0	0	0	112.3	E461 E462 F467 Q468 S469	E461-L465 WeakPolarHBondContact O-CG 3.34Å; E461-L465 PolarHBondContact O-N 3.29Å; E462-L465 PolarHBondContact O-N 2.77Å; L465-F467 VanDerWaalsContact C-N 3.27Å; L465-F467 PolarHBondContact O-N 3.15Å; L465-Q468 PolarHBondContact O-N 3.05Å; L465-S469 PolarHBondContact O-N 3.13Å; L465-S469 PolarHBondContact O-OG 3.38Å
466	R	84.5	Confident	79.6	Confident	120 Å²	120	55.9 Å²	55.9	45%	0.453	28%	0.277	S	S	.	.	H	α-helix	trans	-65.8	-31.6	175.3	-73.6	180	-179.7	-149.9	3.2	111.8	E462 S469 G470 G471 K472	E462-R466 HydrophobicContact CG-CG 4.26Å; E462-R466 WeakPolarHBondContact O-CB 3.36Å; E462-R466 VanDerWaalsContact O-CG 3.28Å; E462-R466 WeakPolarHBondContact O-CG 3.26Å; E462-R466 PolarHBondContact O-N 2.77Å; E462-R466 IonicContact OE1-CZ 2.67Å; E462-R466 IonicContact OE1-NE 2.83Å; E462-R466 PolarHBondContact OE1-NE 2.93Å; E462-R466 IonicContact OE1-NH2 3.66Å; E462-R466 PolarHBondContact OE1-NH2 3.14Å; R466-S469 WeakPolarHBondContact CA-OG 3.35Å; R466-S469 PolarHBondContact O-OG 2.93Å; R466-G470 PolarHBondContact O-N 2.89Å; R466-G471 CarbonylContact O-C 3.51Å; R466-G471 WeakPolarHBondContact O-CA 3.36Å; R466-G471 PolarHBondContact O-N 3.24Å; R466-K472 HydrophobicContact CB-CG 4.02Å; R466-K472 PolarHBondContact O-N 2.71Å
467	F	84.1	Confident	81.3	Confident	2 Å²	2	53.9 Å²	53.9	1%	0.009	27%	0.267	C	S	.	.	H	α-helix	trans	-72.8	-41.3	172.8	-171.2	-93.7	0	0	0	112	C403 I405 N463 I464 L465 S469 G470 K472 I475 V487 Q488	C403-F467 WeakPolarHBondContact SG-CZ 3.46Å; I405-F467 HydrophobicContact CG1-CZ 4.17Å; N463-F467 VanDerWaalsContact O-CB 3.32Å; N463-F467 WeakPolarHBondContact O-CB 3.21Å; N463-F467 PolarHBondContact O-N 3.13Å; I464-F467 WeakPolarHBondContact O-CB 3.35Å; I464-F467 PolarHBondContact O-N 3.48Å; L465-F467 VanDerWaalsContact C-N 3.27Å; L465-F467 PolarHBondContact O-N 3.15Å; F467-S469 VanDerWaalsContact C-N 3.28Å; F467-S469 PolarHBondContact O-N 3.22Å; F467-G470 PolarHBondContact O-N 2.87Å; F467-G470 VanDerWaalsContact O-N 3.13Å; F467-K472 WeakPolarHBondContact CA-O 3.18Å; F467-K472 HydrophobicContact CB-CB 4.31Å; F467-K472 HydrophobicContact CD2-CB 4.21Å; F467-K472 WeakPolarHBondContact CD2-O 3Å; F467-I475 HydrophobicContact CB-CD1 3.59Å; F467-I475 HydrophobicContact CB-CG1 4.41Å; F467-I475 HydrophobicContact CD1-CD1 3.66Å; F467-I475 HydrophobicContact CD2-CB 4.48Å; F467-I475 HydrophobicContact CD2-CD1 3.25Å; F467-I475 HydrophobicContact CD2-CG1 3.42Å; F467-I475 VanDerWaalsContact CD2-CG1 3.42Å; F467-I475 HydrophobicContact CE1-CD1 4.06Å; F467-I475 HydrophobicContact CE2-CB 4.22Å; F467-I475 HydrophobicContact CE2-CD1 3.64Å; F467-I475 HydrophobicContact CE2-CG1 3.62Å; F467-I475 HydrophobicContact CG-CD1 3.2Å; F467-I475 HydrophobicContact CG-CG1 3.95Å; F467-I475 HydrophobicContact CZ-CD1 4.01Å; F467-I475 HydrophobicContact CZ-CG1 4.34Å; F467-V487 HydrophobicContact CD1-CG1 3.77Å; F467-V487 HydrophobicContact CE1-CG1 3.32Å; F467-V487 HydrophobicContact CZ-CG1 4.33Å; F467-Q488 HydrophobicContact CE1-CB 4.15Å; F467-Q488 PolarHBondContact O-NE2 3.02Å
468	Q	78.7	Confident	82.9	Confident	66 Å²	66	48.6 Å²	48.6	31%	0.308	25%	0.248	S	C	.	.	H	α-helix	trans	-62.1	-33.6	175.3	-74.4	174.3	-7.9	0	0	113.1	I464 L465 D486 Q488	I464-Q468 WeakPolarHBondContact O-CG 3.31Å; I464-Q468 PolarHBondContact O-N 3.41Å; L465-Q468 PolarHBondContact O-N 3.05Å; Q468-D486 PolarHBondContact NE2-O 3.28Å; Q468-Q488 VanDerWaalsContact C-NE2 3.29Å; Q468-Q488 PolarHBondContact O-NE2 3.48Å
469	S	81	Confident	83.9	Confident	93 Å²	93	44.4 Å²	44.4	65%	0.65	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	-85.7	-2.7	176.1	52.6	0	0	0	0	114.2	L465 R466 F467 G471	L465-S469 PolarHBondContact O-N 3.13Å; L465-S469 PolarHBondContact O-OG 3.38Å; R466-S469 WeakPolarHBondContact CA-OG 3.35Å; R466-S469 PolarHBondContact O-OG 2.93Å; F467-S469 VanDerWaalsContact C-N 3.28Å; F467-S469 PolarHBondContact O-N 3.22Å; S469-G471 VanDerWaalsContact C-N 3.28Å; S469-G471 PolarHBondContact O-N 3.42Å
470	G	79.6	Confident	84.2	Confident	30 Å²	30	42 Å²	42	31%	0.309	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	79	3.4	-177.6	0	0	0	0	0	115.1	R466 F467 K472	R466-G470 PolarHBondContact O-N 2.89Å; F467-G470 PolarHBondContact O-N 2.87Å; F467-G470 VanDerWaalsContact O-N 3.13Å; G470-K472 PolarHBondContact O-N 2.81Å
471	G	84.3	Confident	84.5	Confident	37 Å²	37	41.2 Å²	41.2	38%	0.381	23%	0.231	S	C	.	.	S	Bend	trans	-64.9	-27.6	171.3	0	0	0	0	0	113.3	K436 R466 S469	K436-G471 WeakPolarHBondContact CD-O 3.27Å; R466-G471 CarbonylContact O-C 3.51Å; R466-G471 WeakPolarHBondContact O-CA 3.36Å; R466-G471 PolarHBondContact O-N 3.24Å; S469-G471 VanDerWaalsContact C-N 3.28Å; S469-G471 PolarHBondContact O-N 3.42Å
472	K	88.2	Confident	84.8	Confident	52 Å²	52	38 Å²	38	23%	0.226	22%	0.216	C	C	.	.			trans	-120.7	145.2	166	-65.6	-69	-171.8	167.5	0	108.3	K436 V437 C438 R466 F467 G470	K436-K472 HydrophobicContact CB-CD 4.02Å; K436-K472 WeakPolarHBondContact O-CD 3.31Å; V437-K472 PolarHBondContact O-NZ 2.69Å; C438-K472 HydrophobicContact CB-CD 4.14Å; C438-K472 HydrophobicContact CB-CG 4.25Å; R466-K472 HydrophobicContact CB-CG 4.02Å; R466-K472 PolarHBondContact O-N 2.71Å; F467-K472 WeakPolarHBondContact CA-O 3.18Å; F467-K472 HydrophobicContact CB-CB 4.31Å; F467-K472 HydrophobicContact CD2-CB 4.21Å; F467-K472 WeakPolarHBondContact CD2-O 3Å; G470-K472 PolarHBondContact O-N 2.81Å
473	N	89.2	Confident	84.4	Confident	20 Å²	20	36.2 Å²	36.2	11%	0.107	21%	0.208	C	C	.	.			trans	-131	-1.2	-176.6	75	-17.2	0	0	0	113.8	F402 C403 G404 H434 K436	F402-N473 VanDerWaalsContact O-CB 3.28Å; F402-N473 WeakPolarHBondContact O-CB 3Å; F402-N473 PolarHBondContact O-ND2 2.89Å; C403-N473 CarbonylContact C-O 3.57Å; C403-N473 WeakPolarHBondContact CA-O 3.43Å; G404-N473 PolarHBondContact N-O 2.83Å; H434-N473 PolarHBondContact O-ND2 3.33Å; K436-N473 PolarHBondContact N-OD1 3.35Å; K436-N473 PolarHBondContact O-N 3.24Å
474	F	92.1	Very high	83.5	Confident	0 Å²	0	35.7 Å²	35.7	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	120.7	175.5	-161.2	-97.5	0	0	0	111.2	L382 F402 G404 V406 L421 L435 K436 V437 C438 I476	L382-F474 HydrophobicContact CD1-CE1 4.19Å; L382-F474 HydrophobicContact CD1-CZ 3.95Å; L382-F474 HydrophobicContact CD2-CE1 4.32Å; L382-F474 HydrophobicContact CD2-CE2 3.49Å; L382-F474 VanDerWaalsContact CD2-CE2 3.49Å; L382-F474 HydrophobicContact CD2-CZ 3.36Å; L382-F474 HydrophobicContact CG-CZ 4.28Å; F402-F474 HydrophobicContact CE1-CD2 4.11Å; G404-F474 WeakPolarHBondContact O-CA 3.23Å; V406-F474 HydrophobicContact CG2-CE1 3.61Å; V406-F474 HydrophobicContact CG2-CE2 4.33Å; V406-F474 HydrophobicContact CG2-CZ 3.3Å; L421-F474 HydrophobicContact CD1-CD1 4.44Å; L421-F474 HydrophobicContact CD1-CE1 4.08Å; L435-F474 HydrophobicContact CB-CB 4.37Å; L435-F474 HydrophobicContact CD1-CG 4.48Å; L435-F474 HydrophobicContact CD2-CB 4.08Å; L435-F474 HydrophobicContact CD2-CD2 4Å; L435-F474 HydrophobicContact CD2-CG 4.15Å; K436-F474 PolarHBondContact O-N 3.42Å; V437-F474 CarbonylContact C-O 3.58Å; V437-F474 WeakPolarHBondContact CA-O 3.38Å; V437-F474 HydrophobicContact CG1-CD1 4.23Å; C438-F474 PolarHBondContact N-O 2.85Å; F474-I476 HydrophobicContact CD1-CD1 4.23Å; F474-I476 HydrophobicContact CE1-CD1 4.28Å; F474-I476 HydrophobicContact CE1-CG1 4.37Å
475	I	92.5	Very high	83.1	Confident	2 Å²	2	37.2 Å²	37.2	1%	0.01	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	136.9	179.6	-75.1	170.4	0	0	0	111.1	G404 I405 V406 C438 V440 F467 A477 L481	G404-I475 PolarHBondContact O-N 3.2Å; I405-I475 CarbonylContact C-O 3.52Å; I405-I475 WeakPolarHBondContact CA-O 3.17Å; V406-I475 PolarHBondContact N-O 3.35Å; C438-I475 WeakPolarHBondContact O-CA 3.46Å; C438-I475 WeakPolarHBondContact SG-CG1 3.45Å; V440-I475 HydrophobicContact CB-CG2 4.47Å; V440-I475 HydrophobicContact CG2-CD1 4.5Å; V440-I475 HydrophobicContact CG2-CG2 4.21Å; F467-I475 HydrophobicContact CB-CD1 3.59Å; F467-I475 HydrophobicContact CB-CG1 4.41Å; F467-I475 HydrophobicContact CD1-CD1 3.66Å; F467-I475 HydrophobicContact CD2-CB 4.48Å; F467-I475 HydrophobicContact CD2-CD1 3.25Å; F467-I475 HydrophobicContact CD2-CG1 3.42Å; F467-I475 VanDerWaalsContact CD2-CG1 3.42Å; F467-I475 HydrophobicContact CE1-CD1 4.06Å; F467-I475 HydrophobicContact CE2-CB 4.22Å; F467-I475 HydrophobicContact CE2-CD1 3.64Å; F467-I475 HydrophobicContact CE2-CG1 3.62Å; F467-I475 HydrophobicContact CG-CD1 3.2Å; F467-I475 HydrophobicContact CG-CG1 3.95Å; F467-I475 HydrophobicContact CZ-CD1 4.01Å; F467-I475 HydrophobicContact CZ-CG1 4.34Å; I475-A477 HydrophobicContact CG2-CB 3.67Å; I475-L481 HydrophobicContact CD1-CD1 3.95Å; I475-L481 HydrophobicContact CG2-CD1 3.63Å
476	I	93.8	Very high	82.4	Confident	0 Å²	0	37 Å²	37	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	117.7	159.6	-53.1	92.2	0	0	0	109	V406 V408 A414 I417 H418 L421 V437 C438 F439 V440 F474	V406-I476 HydrophobicContact CB-CG1 4.22Å; V406-I476 HydrophobicContact CB-CG2 4.29Å; V406-I476 HydrophobicContact CG1-CG2 4.46Å; V406-I476 CarbonylContact O-C 3.54Å; V406-I476 WeakPolarHBondContact O-CA 3.42Å; V408-I476 HydrophobicContact CG1-CG2 4.03Å; V408-I476 HydrophobicContact CG2-CG2 4.22Å; A414-I476 HydrophobicContact CB-CG2 3.93Å; I417-I476 HydrophobicContact CB-CG2 4.43Å; I417-I476 HydrophobicContact CG2-CD1 4.48Å; I417-I476 HydrophobicContact CG2-CG1 3.96Å; H418-I476 HydrophobicContact CB-CD1 4.12Å; L421-I476 HydrophobicContact CD1-CD1 3.97Å; V437-I476 HydrophobicContact CG1-CD1 3.29Å; C438-I476 PolarHBondContact O-N 2.64Å; F439-I476 CarbonylContact C-O 3.56Å; F439-I476 WeakPolarHBondContact CA-O 3.38Å; F439-I476 WeakPolarHBondContact CB-O 3.29Å; V440-I476 PolarHBondContact N-O 2.89Å; F474-I476 HydrophobicContact CD1-CD1 4.23Å; F474-I476 HydrophobicContact CE1-CD1 4.28Å; F474-I476 HydrophobicContact CE1-CG1 4.37Å
477	A	91.5	Very high	81.8	Confident	0 Å²	0	31.6 Å²	31.6	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134	153.6	-173.9	0	0	0	0	0	114	V406 F407 V408 V440 I475 L481	V406-A477 PolarHBondContact O-N 3.15Å; F407-A477 CarbonylContact C-O 3.46Å; F407-A477 VanDerWaalsContact CA-O 3.26Å; F407-A477 WeakPolarHBondContact CA-O 3.44Å; V408-A477 PolarHBondContact N-O 2.99Å; V440-A477 HydrophobicContact CB-CB 4.32Å; V440-A477 WeakPolarHBondContact O-CA 3.31Å; I475-A477 HydrophobicContact CG2-CB 3.67Å; A477-L481 HydrophobicContact CB-CB 4.11Å; A477-L481 HydrophobicContact CB-CD1 3.58Å; A477-L481 HydrophobicContact CB-CG 3.84Å
478	T	89.8	Confident	81.4	Confident	7 Å²	7	33.8 Å²	33.8	4%	0.043	21%	0.205	C	C	.	.			trans	-79.3	-176.2	160.6	56	0	0	0	0	111	V408 R411 V440 V441 G442 V480 L481	V408-T478 HydrophobicContact CG2-CG2 4.28Å; V408-T478 WeakPolarHBondContact O-CA 3.49Å; R411-T478 HydrophobicContact CG-CG2 4.28Å; V440-T478 PolarHBondContact O-N 3.3Å; V441-T478 HydrophobicContact CG1-CG2 4.1Å; G442-T478 PolarHBondContact N-OG1 3.38Å; T478-V480 PolarHBondContact O-N 3.45Å; T478-V480 WeakPolarHBondContact OG1-CG2 3.28Å; T478-L481 PolarHBondContact O-N 2.98Å
479	S	84.2	Confident	81.5	Confident	76 Å²	76	37.9 Å²	37.9	53%	0.531	22%	0.218	S	C	.	.	G	3₁₀ helix	trans	-56.2	-9.2	177.9	56.9	0	0	0	0	115.5	L481 E482	S479-L481 PolarHBondContact O-N 3.03Å; S479-E482 VanDerWaalsContact O-CB 3.27Å; S479-E482 WeakPolarHBondContact O-CB 3.28Å; S479-E482 PolarHBondContact O-N 2.94Å
480	V	80.5	Confident	81.8	Confident	42 Å²	42	33.5 Å²	33.5	26%	0.255	19%	0.187	S	C	.	.	G	3₁₀ helix	trans	-51.3	-37.3	173.3	179.5	0	0	0	0	113.4	V440 G442 T478 E483 F485	V440-V480 HydrophobicContact CG1-CG1 4.45Å; G442-V480 VanDerWaalsContact N-CG2 3.27Å; T478-V480 PolarHBondContact O-N 3.45Å; T478-V480 WeakPolarHBondContact OG1-CG2 3.28Å; V480-E483 VanDerWaalsContact O-O 3.13Å; V480-F485 HydrophobicContact CG1-CD2 4.39Å; V480-F485 HydrophobicContact CG1-CE2 3.82Å; V480-F485 WeakPolarHBondContact O-CD2 3.11Å
481	L	81	Confident	82.2	Confident	1 Å²	1	32.5 Å²	32.5	1%	0.005	17%	0.174	C	C	.	.	G	3₁₀ helix	trans	-89.8	0.5	178.7	-66.3	-172.7	0	0	0	113.7	F407 V440 I464 I475 A477 T478 S479 E483 F485 V487 R512	F407-L481 HydrophobicContact CE1-CB 4.04Å; F407-L481 HydrophobicContact CZ-CB 4.32Å; V440-L481 HydrophobicContact CB-CD1 4.18Å; V440-L481 HydrophobicContact CB-CG 4.39Å; V440-L481 HydrophobicContact CG1-CD1 4.47Å; V440-L481 HydrophobicContact CG1-CD2 4.2Å; V440-L481 HydrophobicContact CG1-CG 4.2Å; V440-L481 HydrophobicContact CG2-CD1 4.32Å; I464-L481 HydrophobicContact CD1-CD2 4.25Å; I464-L481 HydrophobicContact CG1-CD2 4.33Å; I475-L481 HydrophobicContact CD1-CD1 3.95Å; I475-L481 HydrophobicContact CG2-CD1 3.63Å; A477-L481 HydrophobicContact CB-CB 4.11Å; A477-L481 HydrophobicContact CB-CD1 3.58Å; A477-L481 HydrophobicContact CB-CG 3.84Å; T478-L481 PolarHBondContact O-N 2.98Å; S479-L481 PolarHBondContact O-N 3.03Å; L481-E483 PolarHBondContact O-N 3.32Å; L481-F485 HydrophobicContact CD2-CB 4.11Å; L481-F485 HydrophobicContact CD2-CD2 4.09Å; L481-F485 HydrophobicContact CD2-CG 4.11Å; L481-V487 HydrophobicContact CD2-CG2 4.32Å; L481-R512 VanDerWaalsContact O-CZ 3.25Å; L481-R512 PolarHBondContact O-NE 2.75Å; L481-R512 PolarHBondContact O-NH2 3.02Å
482	E	78.3	Confident	82.5	Confident	21 Å²	21	30.7 Å²	30.7	10%	0.098	16%	0.156	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.5	-31.8	171.5	-65.4	176.4	-162.9	0	0	109.9	F407 S479 R495 S504 Q507 R512	F407-E482 HydrophobicContact CD1-CG 4.01Å; F407-E482 HydrophobicContact CE1-CG 3.53Å; F407-E482 HydrophobicContact CZ-CG 3.86Å; S479-E482 VanDerWaalsContact O-CB 3.27Å; S479-E482 WeakPolarHBondContact O-CB 3.28Å; S479-E482 PolarHBondContact O-N 2.94Å; E482-R495 IonicContact OE1-CZ 3.53Å; E482-R495 IonicContact OE1-NH1 2.68Å; E482-R495 PolarHBondContact OE1-NH1 2.78Å; E482-R495 IonicContact OE1-NH2 3.93Å; E482-S504 PolarHBondContact OE1-OG 2.98Å; E482-S504 VanDerWaalsContact OE1-OG 3.08Å; E482-S504 WeakPolarHBondContact OE2-CA 3.45Å; E482-S504 WeakPolarHBondContact OE2-CB 3.45Å; E482-S504 PolarHBondContact OE2-OG 3.3Å; E482-Q507 HydrophobicContact CB-CB 4.34Å; E482-R512 PolarHBondContact O-NH2 3.36Å
483	E	75.3	Confident	82.7	Confident	45 Å²	45	28.2 Å²	28.2	21%	0.21	15%	0.145	C	C	.	.	S	Bend	trans	-137.6	159.5	-170.6	-61.6	-166.7	141.8	0	0	114.6	H170 H171 V480 L481 F485 R503 Q507	H170-E483 IonicContact CE1-OE1 3.22Å; H170-E483 IonicContact NE2-OE1 3.3Å; H171-E483 IonicContact NE2-OE2 3.36Å; V480-E483 VanDerWaalsContact O-O 3.13Å; L481-E483 PolarHBondContact O-N 3.32Å; E483-F485 WeakPolarHBondContact O-CD2 3.06Å; E483-F485 PolarHBondContact O-N 3.24Å; E483-R503 IonicContact OE1-CZ 2.7Å; E483-R503 IonicContact OE1-NE 3.86Å; E483-R503 PolarHBondContact OE1-NE 2.84Å; E483-R503 IonicContact OE1-NH2 3.34Å; E483-R503 PolarHBondContact OE1-NH2 3.03Å; E483-R503 IonicContact OE2-CZ 3.16Å; E483-R503 IonicContact OE2-NE 2.67Å; E483-R503 IonicContact OE2-NH2 3.59Å; E483-R503 PolarHBondContact OE2-NH2 2.83Å; E483-Q507 VanDerWaalsContact CG-CD 3.49Å; E483-Q507 PolarHBondContact OE1-NE2 3Å; E483-Q507 PolarHBondContact OE1-OE1 2.6Å
484	G	65.3	Low	82.9	Confident	16 Å²	16	27.3 Å²	27.3	17%	0.165	14%	0.14	C	C	.	.	S	Bend	trans	71.4	-13.6	164.6	0	0	0	0	0	116.2	L96	L96-G484 WeakPolarHBondContact CD2-O 3.28Å
485	F	69.5	Low	83	Confident	47 Å²	47	28 Å²	28	21%	0.206	14%	0.143	C	C	.	.	S	Bend	trans	-108.9	129.6	175.1	-68.4	-83.6	0	0	0	110.4	V95 I464 V480 L481 E483 V487 R512	V95-F485 HydrophobicContact CB-CE1 4.33Å; V95-F485 HydrophobicContact CG1-CD1 4.06Å; V95-F485 HydrophobicContact CG1-CE1 3.95Å; V95-F485 HydrophobicContact CG2-CE1 3.92Å; V95-F485 HydrophobicContact CG2-CZ 4.23Å; I464-F485 HydrophobicContact CD1-CD1 3.91Å; I464-F485 HydrophobicContact CD1-CE1 3.7Å; I464-F485 HydrophobicContact CD1-CZ 4.14Å; I464-F485 HydrophobicContact CG2-CD1 4.14Å; V480-F485 HydrophobicContact CG1-CD2 4.39Å; V480-F485 HydrophobicContact CG1-CE2 3.82Å; V480-F485 WeakPolarHBondContact O-CD2 3.11Å; L481-F485 HydrophobicContact CD2-CB 4.11Å; L481-F485 HydrophobicContact CD2-CD2 4.09Å; L481-F485 HydrophobicContact CD2-CG 4.11Å; E483-F485 WeakPolarHBondContact O-CD2 3.06Å; E483-F485 PolarHBondContact O-N 3.24Å; F485-V487 HydrophobicContact CB-CG2 4Å; F485-V487 PolarHBondContact O-N 2.92Å; F485-R512 VanDerWaalsContact O-CZ 3.25Å; F485-R512 PolarHBondContact O-NH1 2.93Å; F485-R512 PolarHBondContact O-NH2 3.35Å
486	D	67	Low	83.1	Confident	101 Å²	101	28 Å²	28	54%	0.54	14%	0.143	S	C	.	.			trans	-69.4	123.3	162.1	-165.8	15.4	0	0	0	108.5	Q468	Q468-D486 PolarHBondContact NE2-O 3.28Å
487	V	72.9	Confident	82.9	Confident	5 Å²	5	29 Å²	29	3%	0.03	15%	0.148	C	C	.	.			trans	-132.5	141.6	-175.7	-176.1	0	0	0	0	106.4	I405 F467 L481 F485	I405-V487 HydrophobicContact CD1-CG1 3.78Å; F467-V487 HydrophobicContact CD1-CG1 3.77Å; F467-V487 HydrophobicContact CE1-CG1 3.32Å; F467-V487 HydrophobicContact CZ-CG1 4.33Å; L481-V487 HydrophobicContact CD2-CG2 4.32Å; F485-V487 HydrophobicContact CB-CG2 4Å; F485-V487 PolarHBondContact O-N 2.92Å
488	Q	74.2	Confident	82.7	Confident	48 Å²	48	30.4 Å²	30.4	22%	0.224	16%	0.157	C	C	.	.	P	Polyproline II helix	trans	-52	151.3	179	-65.5	-168.3	-6.7	0	0	111.6	F467 Q468 C490	F467-Q488 HydrophobicContact CE1-CB 4.15Å; F467-Q488 PolarHBondContact O-NE2 3.02Å; Q468-Q488 VanDerWaalsContact C-NE2 3.29Å; Q468-Q488 PolarHBondContact O-NE2 3.48Å; Q488-C490 PolarHBondContact O-N 3.41Å; Q488-C490 PolarHBondContact O-SG 2.8Å
489	R	81.7	Confident	82.6	Confident	153 Å²	153	30.1 Å²	30.1	58%	0.577	16%	0.156	S	C	*	.	P	Polyproline II helix	trans	-63.2	128.7	172	-56.8	-179.7	-172.1	-179.6	2.9	108.1	R514 K515	R489-R514 HydrophobicContact CB-CB 4.27Å; R489-R514 HydrophobicContact CG-CB 4.17Å; R489-K515 HydrophobicContact CB-CG 3.69Å; R489-K515 WeakPolarHBondContact O-CD 3.45Å; R489-K515 WeakPolarHBondContact O-CE 3.37Å
490	C	86.5	Confident	82.4	Confident	0 Å²	0	32.2 Å²	32.2	0%	0	16%	0.159	C	C	.	.	B	Isolated β-bridge	trans	-100.9	147.7	-177	-59.2	0	0	0	0	110.8	C403 I405 Q488 V493 R512 R514 K515	C403-C490 CarbonylContact O-C 3.59Å; C403-C490 WeakPolarHBondContact O-CA 3.44Å; C403-C490 VanDerWaalsContact SG-SG 3.65Å; I405-C490 WeakPolarHBondContact CD1-SG 3.28Å; Q488-C490 PolarHBondContact O-N 3.41Å; Q488-C490 PolarHBondContact O-SG 2.8Å; C490-V493 HydrophobicContact CB-CG2 4.13Å; C490-R512 WeakPolarHBondContact CB-O 3.49Å; C490-R512 PolarHBondContact N-O 2.87Å; C490-R514 PolarHBondContact O-N 3.08Å; C490-K515 PolarHBondContact O-N 2.81Å
491	N	88.1	Confident	82.6	Confident	9 Å²	9	31.1 Å²	31.1	5%	0.048	15%	0.154	C	C	.	.	S	Bend	trans	-77.5	-37.9	168.2	-60.6	88.5	0	0	0	110.6	Y389 F402 C403 K515 S518 E519	Y389-N491 HydrophobicContact CE1-CB 4.34Å; Y389-N491 HydrophobicContact CE2-CB 4.47Å; F402-N491 WeakPolarHBondContact CA-OD1 3.23Å; F402-N491 HydrophobicContact CD2-CB 4.05Å; F402-N491 HydrophobicContact CE2-CB 4.11Å; C403-N491 PolarHBondContact N-OD1 2.76Å; C403-N491 PolarHBondContact O-N 3.37Å; N491-K515 VanDerWaalsContact CG-CD 3.49Å; N491-K515 WeakPolarHBondContact ND2-CD 3.26Å; N491-K515 VanDerWaalsContact OD1-CD 3.23Å; N491-K515 WeakPolarHBondContact OD1-CD 3.43Å; N491-S518 CarbonylContact O-C 3.53Å; N491-S518 WeakPolarHBondContact O-CA 3.34Å; N491-S518 VanDerWaalsContact O-CB 3.31Å; N491-S518 WeakPolarHBondContact O-CB 3.32Å; N491-E519 PolarHBondContact O-N 3.06Å
492	V	90.3	Very high	82.8	Confident	0 Å²	0	31.3 Å²	31.3	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	135.7	-179.7	65.7	0	0	0	0	111.3	Y385 F402 C403 G404 I405 V494 E519 V521	Y385-V492 HydrophobicContact CD2-CG2 4.34Å; Y385-V492 HydrophobicContact CE2-CB 4.13Å; Y385-V492 HydrophobicContact CE2-CG1 4.46Å; Y385-V492 HydrophobicContact CE2-CG2 3.51Å; F402-V492 HydrophobicContact CE2-CG1 4.03Å; F402-V492 HydrophobicContact CZ-CG1 3.61Å; C403-V492 PolarHBondContact O-N 3.16Å; G404-V492 VanDerWaalsContact CA-O 3.28Å; G404-V492 WeakPolarHBondContact CA-O 3.41Å; I405-V492 PolarHBondContact N-O 3.38Å; V492-V494 HydrophobicContact CG2-CG2 3.75Å; V492-E519 WeakPolarHBondContact CA-O 3.07Å; V492-V521 HydrophobicContact CG2-CG2 4.36Å
493	V	92.6	Very high	83.2	Confident	0 Å²	0	31.8 Å²	31.8	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	118	166	175.8	0	0	0	0	107.9	I405 F407 C490 R512 A513 E519 Y520 V521	I405-V493 CarbonylContact O-C 3.58Å; I405-V493 WeakPolarHBondContact O-CA 3.46Å; F407-V493 HydrophobicContact CD2-CG1 3.79Å; F407-V493 HydrophobicContact CE2-CG1 3.84Å; C490-V493 HydrophobicContact CB-CG2 4.13Å; V493-R512 HydrophobicContact CG2-CB 3.69Å; V493-A513 HydrophobicContact CB-CB 4.2Å; V493-A513 HydrophobicContact CG2-CB 3.72Å; V493-E519 PolarHBondContact N-O 3.43Å; V493-Y520 HydrophobicContact CB-CD2 3.9Å; V493-Y520 HydrophobicContact CB-CE2 4.38Å; V493-Y520 HydrophobicContact CG1-CD2 3.83Å; V493-Y520 HydrophobicContact CG1-CE2 3.79Å; V493-Y520 WeakPolarHBondContact O-CA 3.06Å; V493-V521 PolarHBondContact O-N 3.06Å
494	V	94.4	Very high	83.7	Confident	0 Å²	0	30 Å²	30	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	116.5	178.6	-171	0	0	0	0	109	L378 L381 I405 V406 F407 V492 F496 V521 V523	L378-V494 HydrophobicContact CD1-CB 4.34Å; L378-V494 HydrophobicContact CD1-CG1 3.88Å; L378-V494 HydrophobicContact CD1-CG2 4.36Å; L381-V494 HydrophobicContact CD2-CG1 4.24Å; L381-V494 HydrophobicContact CD2-CG2 3.77Å; I405-V494 PolarHBondContact O-N 3.47Å; V406-V494 CarbonylContact C-O 3.59Å; V406-V494 VanDerWaalsContact CA-O 3.28Å; V406-V494 WeakPolarHBondContact CA-O 3.43Å; V406-V494 HydrophobicContact CG1-CB 4.46Å; V406-V494 HydrophobicContact CG2-CB 4.17Å; V406-V494 HydrophobicContact CG2-CG2 4.5Å; F407-V494 PolarHBondContact N-O 2.88Å; V492-V494 HydrophobicContact CG2-CG2 3.75Å; V494-F496 PolarHBondContact O-N 2.83Å; V494-V521 CarbonylContact C-O 3.55Å; V494-V521 WeakPolarHBondContact CA-O 3.44Å; V494-V521 HydrophobicContact CG1-CB 4.47Å; V494-V521 HydrophobicContact CG2-CB 4.46Å; V494-V523 HydrophobicContact CG1-CG2 3.64Å
495	R	94	Very high	84.8	Confident	14 Å²	14	29.5 Å²	29.5	5%	0.053	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	95.1	163	-67	-63.2	-60.3	-168.1	-6.1	107.2	E482 D497 P499 S504 Y520 V521 I522 V523	E482-R495 IonicContact OE1-CZ 3.53Å; E482-R495 IonicContact OE1-NH1 2.68Å; E482-R495 PolarHBondContact OE1-NH1 2.78Å; E482-R495 IonicContact OE1-NH2 3.93Å; R495-D497 WeakPolarHBondContact CB-O 3.35Å; R495-D497 PolarHBondContact NE-O 2.85Å; R495-D497 PolarHBondContact NH2-O 3.28Å; R495-P499 VanDerWaalsContact NH2-CA 3.32Å; R495-S504 PolarHBondContact NH1-OG 3.45Å; R495-S504 PolarHBondContact NH2-OG 3.43Å; R495-Y520 VanDerWaalsContact CD-OH 3.32Å; R495-Y520 WeakPolarHBondContact CD-OH 3.33Å; R495-Y520 HydrophobicContact CG-CE1 4.09Å; R495-Y520 HydrophobicContact CG-CE2 3.96Å; R495-Y520 VanDerWaalsContact CG-CZ 3.44Å; R495-Y520 WeakPolarHBondContact CG-OH 3.36Å; R495-V521 PolarHBondContact N-O 3.19Å; R495-I522 HydrophobicContact CB-CB 4.44Å; R495-I522 HydrophobicContact CB-CG1 4.16Å; R495-I522 HydrophobicContact CB-CG2 4.35Å; R495-I522 HydrophobicContact CG-CG1 4.32Å; R495-V523 PolarHBondContact O-N 3.46Å
496	F	93.6	Very high	85.5	Confident	3 Å²	3	27.6 Å²	27.6	1%	0.013	13%	0.133	C	C	.	.	S	Bend	trans	-58.8	-45.7	168.6	-170.4	-103.9	0	0	0	108.1	L308 R374 L375 L378 V406 F407 V408 T413 I417 V494 V523	L308-F496 HydrophobicContact CD2-CE1 4.07Å; L308-F496 HydrophobicContact CD2-CZ 4Å; R374-F496 HydrophobicContact CB-CE2 4.44Å; R374-F496 HydrophobicContact CB-CZ 4.28Å; R374-F496 HydrophobicContact CG-CD2 4.5Å; R374-F496 HydrophobicContact CG-CE1 4.5Å; R374-F496 HydrophobicContact CG-CE2 3.8Å; R374-F496 HydrophobicContact CG-CZ 3.81Å; R374-F496 PolarHBondContact NE-O 3.42Å; R374-F496 VanDerWaalsContact NE-O 3.1Å; R374-F496 PolarHBondContact NH2-O 3.35Å; L375-F496 HydrophobicContact CD1-CE2 4.44Å; L378-F496 HydrophobicContact CB-CD2 4.48Å; L378-F496 HydrophobicContact CB-CE2 4.48Å; L378-F496 HydrophobicContact CD2-CD2 4.08Å; L378-F496 HydrophobicContact CD2-CE2 4.4Å; V406-F496 HydrophobicContact CG1-CB 3.89Å; F407-F496 WeakPolarHBondContact O-CB 3.45Å; F407-F496 PolarHBondContact O-N 3.07Å; V408-F496 HydrophobicContact CG1-CB 3.79Å; V408-F496 HydrophobicContact CG1-CD1 4.12Å; V408-F496 HydrophobicContact CG1-CG 4.17Å; T413-F496 HydrophobicContact CG2-CD1 4.43Å; T413-F496 HydrophobicContact CG2-CE1 4.31Å; I417-F496 HydrophobicContact CD1-CD1 4.44Å; I417-F496 HydrophobicContact CD1-CD2 4.41Å; I417-F496 HydrophobicContact CD1-CE1 4.46Å; I417-F496 HydrophobicContact CD1-CE2 4.43Å; I417-F496 HydrophobicContact CD1-CG 4.41Å; I417-F496 HydrophobicContact CD1-CZ 4.45Å; V494-F496 PolarHBondContact O-N 2.83Å; F496-V523 VanDerWaalsContact O-O 3.13Å
497	D	89.7	Confident	86.4	Confident	22 Å²	22	23 Å²	23	12%	0.118	11%	0.108	C	C	.	.	S	Bend	trans	-102.4	126	170.4	-61.1	-59.3	0	0	0	112.2	R374 F407 V408 E409 R495	R374-D497 IonicContact CZ-OD1 2.78Å; R374-D497 IonicContact NH1-OD1 2.73Å; R374-D497 PolarHBondContact NH1-OD1 3.26Å; R374-D497 IonicContact NH2-OD1 3.66Å; R374-D497 PolarHBondContact NH2-OD1 3.31Å; F407-D497 PolarHBondContact O-N 2.79Å; V408-D497 WeakPolarHBondContact CA-OD2 3.28Å; E409-D497 HydrophobicContact CB-CB 4.16Å; E409-D497 PolarHBondContact N-OD2 3.18Å; R495-D497 WeakPolarHBondContact CB-O 3.35Å; R495-D497 PolarHBondContact NE-O 2.85Å; R495-D497 PolarHBondContact NH2-O 3.28Å
498	P	87.8	Confident	87	Confident	29 Å²	29	22.7 Å²	22.7	19%	0.188	11%	0.107	C	C	.	.	P	Polyproline II helix	trans	-51.8	145.3	179.3	-27.9	34	0	0	0	113	I500 I522 V532	P498-I500 PolarHBondContact O-N 2.95Å; P498-I522 HydrophobicContact CB-CG2 4.07Å; P498-I522 HydrophobicContact CG-CG2 3.97Å; P498-V532 HydrophobicContact CB-CG2 4.42Å; P498-V532 HydrophobicContact CG-CG2 4.06Å
499	P	86.9	Confident	87.5	Confident	1 Å²	1	21 Å²	21	1%	0.006	10%	0.099	C	C	.	.	P	Polyproline II helix	trans	-66.7	122.4	179.9	25	-30.3	0	0	0	112.1	R495 S501 Y505 L535 F539	R495-P499 VanDerWaalsContact NH2-CA 3.32Å; P499-S501 VanDerWaalsContact C-N 3.33Å; P499-S501 PolarHBondContact O-N 2.92Å; P499-Y505 HydrophobicContact CG-CD2 4.32Å; P499-L535 WeakPolarHBondContact O-CD2 3.42Å; P499-F539 HydrophobicContact CB-CE2 4.45Å; P499-F539 HydrophobicContact CG-CE2 4.07Å
500	I	81.3	Confident	86.9	Confident	119 Å²	119	14.2 Å²	14.2	61%	0.61	8%	0.076	S	C	*	.	S	Bend	trans	-72.6	-28.2	-177	-54.1	171	0	0	0	111.4	P498	P498-I500 PolarHBondContact O-N 2.95Å
501	S	85.2	Confident	86	Confident	19 Å²	19	14.2 Å²	14.2	13%	0.133	8%	0.076	C	C	.	.	S	Bend	trans	-133.1	156.1	-175.1	71.2	0	0	0	0	112.6	P499 R503 S504 Y505	P499-S501 VanDerWaalsContact C-N 3.33Å; P499-S501 PolarHBondContact O-N 2.92Å; S501-R503 PolarHBondContact O-N 3.46Å; S501-S504 PolarHBondContact O-N 2.9Å; S501-S504 VanDerWaalsContact O-N 3.17Å; S501-S504 WeakPolarHBondContact OG-CB 3.15Å; S501-S504 PolarHBondContact OG-N 3.41Å; S501-Y505 PolarHBondContact O-N 2.92Å
502	F	84.7	Confident	85.6	Confident	6 Å²	6	14.3 Å²	14.3	3%	0.026	8%	0.076	C	C	.	.	H	α-helix	trans	-56	-39	174.7	176.9	-113.2	0	0	0	112	S202 L204 Y505 I506 F539 T542 E543	S202-F502 VanDerWaalsContact OG-CD1 3.31Å; S202-F502 WeakPolarHBondContact OG-CD1 3.29Å; L204-F502 HydrophobicContact CD1-CB 4.28Å; L204-F502 HydrophobicContact CD1-CD1 4.05Å; L204-F502 HydrophobicContact CD1-CG 4.45Å; L204-F502 HydrophobicContact CG-CD1 4.49Å; F502-Y505 HydrophobicContact CD2-CD1 4.44Å; F502-Y505 WeakPolarHBondContact O-CB 3.37Å; F502-Y505 PolarHBondContact O-N 3.16Å; F502-I506 HydrophobicContact CD1-CG1 4.35Å; F502-I506 HydrophobicContact CD2-CG1 4.13Å; F502-I506 HydrophobicContact CE1-CG1 3.88Å; F502-I506 HydrophobicContact CE2-CD1 3.81Å; F502-I506 HydrophobicContact CE2-CG1 3.64Å; F502-I506 HydrophobicContact CG-CG1 4.47Å; F502-I506 HydrophobicContact CZ-CD1 3.8Å; F502-I506 HydrophobicContact CZ-CG1 3.51Å; F502-I506 WeakPolarHBondContact O-CG1 3.48Å; F502-I506 PolarHBondContact O-N 3.23Å; F502-F539 HydrophobicContact CB-CD1 3.74Å; F502-F539 HydrophobicContact CB-CE1 4Å; F502-F539 HydrophobicContact CD2-CB 3.72Å; F502-F539 AromaticContact CD2-CD1 3.91Å; F502-F539 HydrophobicContact CD2-CD1 3.91Å; F502-F539 AromaticContact CD2-CG 3.99Å; F502-F539 HydrophobicContact CD2-CG 3.99Å; F502-F539 HydrophobicContact CE2-CB 4.23Å; F502-F539 WeakPolarHBondContact CE2-O 3.41Å; F502-F539 HydrophobicContact CG-CD1 4.34Å; F502-F539 VanDerWaalsContact N-CE1 3.26Å; F502-T542 HydrophobicContact CD1-CG2 3.81Å; F502-T542 HydrophobicContact CD2-CG2 4.18Å; F502-T542 HydrophobicContact CE1-CG2 3.9Å; F502-T542 HydrophobicContact CE2-CG2 4.27Å; F502-T542 HydrophobicContact CG-CG2 3.95Å; F502-T542 HydrophobicContact CZ-CG2 4.12Å; F502-E543 HydrophobicContact CE2-CB 4.16Å; F502-E543 HydrophobicContact CZ-CB 4.07Å
503	R	85.4	Confident	84.9	Confident	30 Å²	30	14.4 Å²	14.4	11%	0.113	8%	0.076	C	C	.	.	H	α-helix	trans	-59.4	-51.6	175.2	170.3	-178.9	165.5	-177.9	15	112.2	H170 H171 N205 E483 S501 Y505 I506 Q507	H170-R503 PolarHBondContact NE2-NE 3.15Å; H170-R503 VanDerWaalsContact NE2-NE 3.15Å; H170-R503 PolarHBondContact NE2-NH1 3.37Å; H170-R503 PolarHBondContact NE2-NH2 2.89Å; H171-R503 PolarHBondContact CE1-NH2 2.62Å; H171-R503 PolarHBondContact NE2-NH2 3.38Å; N205-R503 PolarHBondContact OD1-NH1 2.79Å; E483-R503 IonicContact OE1-CZ 2.7Å; E483-R503 IonicContact OE1-NE 3.86Å; E483-R503 PolarHBondContact OE1-NE 2.84Å; E483-R503 IonicContact OE1-NH2 3.34Å; E483-R503 PolarHBondContact OE1-NH2 3.03Å; E483-R503 IonicContact OE2-CZ 3.16Å; E483-R503 IonicContact OE2-NE 2.67Å; E483-R503 IonicContact OE2-NH2 3.59Å; E483-R503 PolarHBondContact OE2-NH2 2.83Å; S501-R503 PolarHBondContact O-N 3.46Å; R503-Y505 PolarHBondContact O-N 3.37Å; R503-I506 PolarHBondContact O-N 3.31Å; R503-Q507 HydrophobicContact CG-CG 4.49Å; R503-Q507 WeakPolarHBondContact O-CB 3.47Å; R503-Q507 WeakPolarHBondContact O-CG 3.4Å; R503-Q507 PolarHBondContact O-N 3.47Å
504	S	86.1	Confident	84.1	Confident	9 Å²	9	16.1 Å²	16.1	6%	0.063	8%	0.083	C	C	.	.	H	α-helix	trans	-57.9	-41.2	178.5	-174.5	0	0	0	0	110.9	E482 R495 S501 S508	E482-S504 PolarHBondContact OE1-OG 2.98Å; E482-S504 VanDerWaalsContact OE1-OG 3.08Å; E482-S504 WeakPolarHBondContact OE2-CA 3.45Å; E482-S504 WeakPolarHBondContact OE2-CB 3.45Å; E482-S504 PolarHBondContact OE2-OG 3.3Å; R495-S504 PolarHBondContact NH1-OG 3.45Å; R495-S504 PolarHBondContact NH2-OG 3.43Å; S501-S504 PolarHBondContact O-N 2.9Å; S501-S504 VanDerWaalsContact O-N 3.17Å; S501-S504 WeakPolarHBondContact OG-CB 3.15Å; S501-S504 PolarHBondContact OG-N 3.41Å; S504-S508 WeakPolarHBondContact O-CB 3.37Å; S504-S508 PolarHBondContact O-N 3.48Å; S504-S508 PolarHBondContact O-OG 3.28Å
505	Y	87.8	Confident	83.4	Confident	5 Å²	5	16.9 Å²	16.9	2%	0.02	9%	0.086	C	C	.	.	H	α-helix	trans	-61.5	-52.4	174.6	170.9	-109.7	0	0	0	112.8	P499 S501 F502 R503 Q507 S508 K509 Y520 L536 F539	P499-Y505 HydrophobicContact CG-CD2 4.32Å; S501-Y505 PolarHBondContact O-N 2.92Å; F502-Y505 HydrophobicContact CD2-CD1 4.44Å; F502-Y505 WeakPolarHBondContact O-CB 3.37Å; F502-Y505 PolarHBondContact O-N 3.16Å; R503-Y505 PolarHBondContact O-N 3.37Å; Y505-Q507 VanDerWaalsContact C-N 3.34Å; Y505-Q507 PolarHBondContact O-N 2.83Å; Y505-S508 PolarHBondContact O-OG 2.93Å; Y505-K509 HydrophobicContact CE1-CD 4.35Å; Y505-K509 HydrophobicContact CE2-CB 4.35Å; Y505-K509 HydrophobicContact CE2-CD 3.8Å; Y505-K509 WeakPolarHBondContact O-CB 3.19Å; Y505-K509 PolarHBondContact O-N 3.01Å; Y505-K509 WeakPolarHBondContact OH-CD 3.44Å; Y505-K509 PolarHBondContact OH-NZ 3.21Å; Y505-Y520 AromaticContact CD2-CE1 3.88Å; Y505-Y520 HydrophobicContact CD2-CE1 3.88Å; Y505-Y520 HydrophobicContact CE2-CD1 4.37Å; Y505-Y520 AromaticContact CE2-CE1 3.9Å; Y505-Y520 HydrophobicContact CE2-CE1 3.9Å; Y505-L536 HydrophobicContact CD2-CD2 4.17Å; Y505-L536 HydrophobicContact CE2-CD2 3.86Å; Y505-F539 HydrophobicContact CD1-CB 3.89Å; Y505-F539 AromaticContact CD1-CD2 3.89Å; Y505-F539 HydrophobicContact CD1-CD2 3.89Å; Y505-F539 HydrophobicContact CD1-CG 4.14Å; Y505-F539 HydrophobicContact CD2-CD2 4.23Å; Y505-F539 HydrophobicContact CE1-CB 4.11Å; Y505-F539 AromaticContact CG-CD2 3.68Å; Y505-F539 HydrophobicContact CG-CD2 3.68Å; Y505-F539 HydrophobicContact CG-CE2 4.25Å; Y505-F539 HydrophobicContact CG-CG 4.36Å
506	I	84.5	Confident	82.5	Confident	7 Å²	7	24.9 Å²	24.9	4%	0.036	12%	0.124	C	C	.	.	H	α-helix	trans	-63.9	-39.4	-178.5	-68.2	-63.2	0	0	0	111.8	A201 F502 R503 G510 G511	A201-I506 HydrophobicContact CB-CG2 4.4Å; F502-I506 HydrophobicContact CD1-CG1 4.35Å; F502-I506 HydrophobicContact CD2-CG1 4.13Å; F502-I506 HydrophobicContact CE1-CG1 3.88Å; F502-I506 HydrophobicContact CE2-CD1 3.81Å; F502-I506 HydrophobicContact CE2-CG1 3.64Å; F502-I506 HydrophobicContact CG-CG1 4.47Å; F502-I506 HydrophobicContact CZ-CD1 3.8Å; F502-I506 HydrophobicContact CZ-CG1 3.51Å; F502-I506 WeakPolarHBondContact O-CG1 3.48Å; F502-I506 PolarHBondContact O-N 3.23Å; R503-I506 PolarHBondContact O-N 3.31Å; I506-G510 WeakPolarHBondContact O-CA 3.33Å; I506-G510 PolarHBondContact O-N 2.96Å; I506-G511 PolarHBondContact O-N 3.26Å
507	Q	85.6	Confident	81.8	Confident	3 Å²	3	27.2 Å²	27.2	1%	0.014	15%	0.149	C	C	.	.	H	α-helix	trans	-73.8	-40.1	-177.1	-73.7	172.2	-19.7	0	0	112.8	A201 E482 E483 R503 Y505 G511	A201-Q507 HydrophobicContact CB-CG 4.47Å; E482-Q507 HydrophobicContact CB-CB 4.34Å; E483-Q507 VanDerWaalsContact CG-CD 3.49Å; E483-Q507 PolarHBondContact OE1-NE2 3Å; E483-Q507 PolarHBondContact OE1-OE1 2.6Å; R503-Q507 HydrophobicContact CG-CG 4.49Å; R503-Q507 WeakPolarHBondContact O-CB 3.47Å; R503-Q507 WeakPolarHBondContact O-CG 3.4Å; R503-Q507 PolarHBondContact O-N 3.47Å; Y505-Q507 VanDerWaalsContact C-N 3.34Å; Y505-Q507 PolarHBondContact O-N 2.83Å; Q507-G511 WeakPolarHBondContact O-CA 3.28Å; Q507-G511 PolarHBondContact O-N 3.2Å
508	S	86.6	Confident	81.7	Confident	0 Å²	0	26.4 Å²	26.4	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-75	-42.4	176.6	58.9	0	0	0	0	112.3	S504 Y505 R512 Y520	S504-S508 WeakPolarHBondContact O-CB 3.37Å; S504-S508 PolarHBondContact O-N 3.48Å; S504-S508 PolarHBondContact O-OG 3.28Å; Y505-S508 PolarHBondContact O-OG 2.93Å; S508-R512 WeakPolarHBondContact O-CB 3.38Å; S508-Y520 WeakPolarHBondContact OG-CE2 3.34Å; S508-Y520 PolarHBondContact OG-OH 3.35Å
509	K	84.1	Confident	81.8	Confident	13 Å²	13	26.2 Å²	26.2	6%	0.057	14%	0.141	C	C	.	.	H	α-helix	trans	-70.2	-68.9	175.5	-178	-173.8	165.9	-167.2	0	111.2	E243 A244 V246 Y505 G511 A513 Y520	E243-K509 IonicContact OE1-NZ 2.93Å; E243-K509 PolarHBondContact OE1-NZ 3.47Å; A244-K509 HydrophobicContact CB-CG 4.44Å; V246-K509 HydrophobicContact CG2-CD 4.01Å; Y505-K509 HydrophobicContact CE1-CD 4.35Å; Y505-K509 HydrophobicContact CE2-CB 4.35Å; Y505-K509 HydrophobicContact CE2-CD 3.8Å; Y505-K509 WeakPolarHBondContact O-CB 3.19Å; Y505-K509 PolarHBondContact O-N 3.01Å; Y505-K509 WeakPolarHBondContact OH-CD 3.44Å; Y505-K509 PolarHBondContact OH-NZ 3.21Å; K509-G511 VanDerWaalsContact C-N 3.34Å; K509-G511 PolarHBondContact O-N 3.17Å; K509-A513 WeakPolarHBondContact O-CB 3.15Å; K509-A513 PolarHBondContact O-N 3.4Å; K509-A513 VanDerWaalsContact O-N 3.16Å; K509-Y520 HydrophobicContact CB-CD1 4.41Å; K509-Y520 HydrophobicContact CB-CD2 3.73Å; K509-Y520 HydrophobicContact CB-CE1 4.49Å; K509-Y520 HydrophobicContact CB-CE2 3.84Å; K509-Y520 HydrophobicContact CB-CG 4.02Å; K509-Y520 HydrophobicContact CG-CD2 4.22Å; K509-Y520 HydrophobicContact CG-CG 4.08Å
510	G	69.8	Low	82.1	Confident	10 Å²	10	26.2 Å²	26.2	10%	0.103	14%	0.141	C	C	.	.	H	α-helix	trans	-72.4	-25.4	-172.5	0	0	0	0	0	113.8	I506 R514	I506-G510 WeakPolarHBondContact O-CA 3.33Å; I506-G510 PolarHBondContact O-N 2.96Å; G510-R514 WeakPolarHBondContact O-CD 3.25Å; G510-R514 WeakPolarHBondContact O-CG 3.33Å
511	G	67.7	Low	82.6	Confident	0 Å²	0	20.5 Å²	20.5	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-86.9	-26.8	-178.1	0	0	0	0	0	115.3	T57 I506 Q507 K509 R514	T57-G511 VanDerWaalsContact CB-CA 3.45Å; T57-G511 WeakPolarHBondContact OG1-CA 3.2Å; T57-G511 PolarHBondContact OG1-N 2.94Å; I506-G511 PolarHBondContact O-N 3.26Å; Q507-G511 WeakPolarHBondContact O-CA 3.28Å; Q507-G511 PolarHBondContact O-N 3.2Å; K509-G511 VanDerWaalsContact C-N 3.34Å; K509-G511 PolarHBondContact O-N 3.17Å; G511-R514 PolarHBondContact O-NE 3.3Å; G511-R514 PolarHBondContact O-NH2 2.92Å
512	R	79.2	Confident	83	Confident	11 Å²	11	19.6 Å²	19.6	4%	0.042	11%	0.106	C	C	.	.	H	α-helix	trans	-119.4	-46.6	-171.6	-50.8	-60.3	176.5	-158.7	1.3	112.1	I405 L481 E482 F485 C490 V493 S508 R514	I405-R512 HydrophobicContact CD1-CB 4.18Å; I405-R512 HydrophobicContact CD1-CG 4.22Å; L481-R512 VanDerWaalsContact O-CZ 3.25Å; L481-R512 PolarHBondContact O-NE 2.75Å; L481-R512 PolarHBondContact O-NH2 3.02Å; E482-R512 PolarHBondContact O-NH2 3.36Å; F485-R512 VanDerWaalsContact O-CZ 3.25Å; F485-R512 PolarHBondContact O-NH1 2.93Å; F485-R512 PolarHBondContact O-NH2 3.35Å; C490-R512 WeakPolarHBondContact CB-O 3.49Å; C490-R512 PolarHBondContact N-O 2.87Å; V493-R512 HydrophobicContact CG2-CB 3.69Å; S508-R512 WeakPolarHBondContact O-CB 3.38Å; R512-R514 PolarHBondContact O-N 2.82Å
513	A	76.5	Confident	83.4	Confident	1 Å²	1	19.3 Å²	19.3	1%	0.008	10%	0.104	C	C	.	.	B	Isolated β-bridge	trans	-79.9	79.5	176.6	0	0	0	0	0	111	A244 V493 K509 S518	A244-A513 HydrophobicContact CB-CB 3.55Å; V493-A513 HydrophobicContact CB-CB 4.2Å; V493-A513 HydrophobicContact CG2-CB 3.72Å; K509-A513 WeakPolarHBondContact O-CB 3.15Å; K509-A513 PolarHBondContact O-N 3.4Å; K509-A513 VanDerWaalsContact O-N 3.16Å; A513-S518 VanDerWaalsContact C-OG 3.3Å; A513-S518 PolarHBondContact O-OG 3.17Å
514	R	75.9	Confident	83.7	Confident	37 Å²	37	17.9 Å²	17.9	14%	0.14	10%	0.099	C	C	.	.			trans	-123.7	0.2	-173.5	-74.9	-171.8	-80.8	154	-5.9	114.6	R489 C490 G510 G511 R512	R489-R514 HydrophobicContact CB-CB 4.27Å; R489-R514 HydrophobicContact CG-CB 4.17Å; C490-R514 PolarHBondContact O-N 3.08Å; G510-R514 WeakPolarHBondContact O-CD 3.25Å; G510-R514 WeakPolarHBondContact O-CG 3.33Å; G511-R514 PolarHBondContact O-NE 3.3Å; G511-R514 PolarHBondContact O-NH2 2.92Å; R512-R514 PolarHBondContact O-N 2.82Å
515	K	78.8	Confident	83.7	Confident	15 Å²	15	21 Å²	21	7%	0.065	11%	0.111	C	C	.	.	S	Bend	trans	-74.5	156.5	173.6	-72.4	-175.3	160.1	-159.9	0	110.5	D400 P401 R489 C490 N491 G517 S518	D400-K515 VanDerWaalsContact CG-CE 3.46Å; D400-K515 WeakPolarHBondContact OD1-CE 3.49Å; D400-K515 IonicContact OD1-NZ 3.85Å; D400-K515 PolarHBondContact OD1-NZ 2.98Å; D400-K515 WeakPolarHBondContact OD2-CD 3.39Å; D400-K515 WeakPolarHBondContact OD2-CE 3.32Å; D400-K515 IonicContact OD2-NZ 3.67Å; D400-K515 PolarHBondContact OD2-NZ 3.32Å; P401-K515 PolarHBondContact O-NZ 2.92Å; R489-K515 HydrophobicContact CB-CG 3.69Å; R489-K515 WeakPolarHBondContact O-CD 3.45Å; R489-K515 WeakPolarHBondContact O-CE 3.37Å; C490-K515 PolarHBondContact O-N 2.81Å; N491-K515 VanDerWaalsContact CG-CD 3.49Å; N491-K515 WeakPolarHBondContact ND2-CD 3.26Å; N491-K515 VanDerWaalsContact OD1-CD 3.23Å; N491-K515 WeakPolarHBondContact OD1-CD 3.43Å; K515-G517 PolarHBondContact O-N 3.21Å; K515-S518 WeakPolarHBondContact O-CB 3.19Å; K515-S518 PolarHBondContact O-N 2.93Å; K515-S518 PolarHBondContact O-OG 3.2Å
516	H	75.4	Confident	83.7	Confident	183 Å²	183	23.8 Å²	23.8	85%	0.847	13%	0.129	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.5	131.8	176.3	-166.9	-79.1	0	0	0	109.4	S518	H516-S518 VanDerWaalsContact C-N 3.26Å; H516-S518 PolarHBondContact O-N 3.34Å
517	G	79.7	Confident	83.8	Confident	52 Å²	52	29.5 Å²	29.5	54%	0.536	16%	0.16	S	C	.	.	T	Hydrogen-bonded Turn	trans	69	19.7	-174.3	0	0	0	0	0	114.8	K515	K515-G517 PolarHBondContact O-N 3.21Å
518	S	87.1	Confident	83.9	Confident	4 Å²	4	32.4 Å²	32.4	3%	0.028	17%	0.173	C	C	.	.			trans	-65.9	148.1	178.3	54.3	0	0	0	0	113.1	A244 K245 N491 A513 K515 H516	A244-S518 CarbonylContact C-O 3.53Å; A244-S518 VanDerWaalsContact CA-O 3.23Å; A244-S518 WeakPolarHBondContact CA-O 3.24Å; K245-S518 PolarHBondContact N-O 3.06Å; N491-S518 CarbonylContact O-C 3.53Å; N491-S518 WeakPolarHBondContact O-CA 3.34Å; N491-S518 VanDerWaalsContact O-CB 3.31Å; N491-S518 WeakPolarHBondContact O-CB 3.32Å; A513-S518 VanDerWaalsContact C-OG 3.3Å; A513-S518 PolarHBondContact O-OG 3.17Å; K515-S518 WeakPolarHBondContact O-CB 3.19Å; K515-S518 PolarHBondContact O-N 2.93Å; K515-S518 PolarHBondContact O-OG 3.2Å; H516-S518 VanDerWaalsContact C-N 3.26Å; H516-S518 PolarHBondContact O-N 3.34Å
519	E	89.8	Confident	84	Confident	26 Å²	26	34.9 Å²	34.9	12%	0.121	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	139	-179.4	-65.9	-171.6	-176.5	0	0	111.1	K245 Y385 R388 N491 V492 V493 V521	K245-E519 WeakPolarHBondContact O-CA 2.9Å; Y385-E519 PolarHBondContact OH-OE2 2.95Å; R388-E519 IonicContact NH1-OE1 3.33Å; R388-E519 PolarHBondContact NH1-OE1 3.3Å; N491-E519 PolarHBondContact O-N 3.06Å; V492-E519 WeakPolarHBondContact CA-O 3.07Å; V493-E519 PolarHBondContact N-O 3.43Å; E519-V521 HydrophobicContact CB-CG2 4.34Å
520	Y	92.1	Very high	84.3	Confident	0 Å²	0	40.3 Å²	40.3	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	104.8	173	-175.8	-96.2	0	0	0	108.7	K245 V246 R247 V493 R495 Y505 S508 K509 I522	K245-Y520 PolarHBondContact O-N 3.35Å; V246-Y520 CarbonylContact C-O 3.53Å; V246-Y520 WeakPolarHBondContact CA-O 3.29Å; V246-Y520 HydrophobicContact CG1-CD1 4.34Å; V246-Y520 HydrophobicContact CG2-CD1 4.35Å; R247-Y520 PolarHBondContact N-O 3.16Å; V493-Y520 HydrophobicContact CB-CD2 3.9Å; V493-Y520 HydrophobicContact CB-CE2 4.38Å; V493-Y520 HydrophobicContact CG1-CD2 3.83Å; V493-Y520 HydrophobicContact CG1-CE2 3.79Å; V493-Y520 WeakPolarHBondContact O-CA 3.06Å; R495-Y520 VanDerWaalsContact CD-OH 3.32Å; R495-Y520 WeakPolarHBondContact CD-OH 3.33Å; R495-Y520 HydrophobicContact CG-CE1 4.09Å; R495-Y520 HydrophobicContact CG-CE2 3.96Å; R495-Y520 VanDerWaalsContact CG-CZ 3.44Å; R495-Y520 WeakPolarHBondContact CG-OH 3.36Å; Y505-Y520 AromaticContact CD2-CE1 3.88Å; Y505-Y520 HydrophobicContact CD2-CE1 3.88Å; Y505-Y520 HydrophobicContact CE2-CD1 4.37Å; Y505-Y520 AromaticContact CE2-CE1 3.9Å; Y505-Y520 HydrophobicContact CE2-CE1 3.9Å; S508-Y520 WeakPolarHBondContact OG-CE2 3.34Å; S508-Y520 PolarHBondContact OG-OH 3.35Å; K509-Y520 HydrophobicContact CB-CD1 4.41Å; K509-Y520 HydrophobicContact CB-CD2 3.73Å; K509-Y520 HydrophobicContact CB-CE1 4.49Å; K509-Y520 HydrophobicContact CB-CE2 3.84Å; K509-Y520 HydrophobicContact CB-CG 4.02Å; K509-Y520 HydrophobicContact CG-CD2 4.22Å; K509-Y520 HydrophobicContact CG-CG 4.08Å; Y520-I522 HydrophobicContact CD1-CD1 4.47Å; Y520-I522 HydrophobicContact CD1-CG1 4.17Å; Y520-I522 HydrophobicContact CE1-CD1 3.87Å; Y520-I522 HydrophobicContact CE1-CG1 3.74Å
521	V	93.3	Very high	85.3	Confident	0 Å²	0	47.6 Å²	47.6	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	129.4	-171.4	-172.8	0	0	0	0	110	R247 L249 L381 Y385 V492 V493 V494 R495 E519	R247-V521 HydrophobicContact CB-CG2 4.38Å; R247-V521 CarbonylContact O-C 3.59Å; R247-V521 VanDerWaalsContact O-CA 3.3Å; R247-V521 WeakPolarHBondContact O-CA 3.44Å; L249-V521 HydrophobicContact CB-CG1 3.91Å; L249-V521 HydrophobicContact CD2-CG1 4.47Å; L381-V521 HydrophobicContact CD2-CB 4.18Å; L381-V521 HydrophobicContact CD2-CG1 3.87Å; L381-V521 HydrophobicContact CD2-CG2 4.24Å; Y385-V521 WeakPolarHBondContact OH-CG2 3.39Å; V492-V521 HydrophobicContact CG2-CG2 4.36Å; V493-V521 PolarHBondContact O-N 3.06Å; V494-V521 CarbonylContact C-O 3.55Å; V494-V521 WeakPolarHBondContact CA-O 3.44Å; V494-V521 HydrophobicContact CG1-CB 4.47Å; V494-V521 HydrophobicContact CG2-CB 4.46Å; R495-V521 PolarHBondContact N-O 3.19Å; E519-V521 HydrophobicContact CB-CG2 4.34Å
522	I	93.7	Very high	86.4	Confident	0 Å²	0	47.9 Å²	47.9	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	121	174.2	-55	176.2	0	0	0	108.7	R247 L249 R495 P498 Y520 V532 L536	R247-I522 PolarHBondContact O-N 2.99Å; L249-I522 PolarHBondContact N-O 2.95Å; R495-I522 HydrophobicContact CB-CB 4.44Å; R495-I522 HydrophobicContact CB-CG1 4.16Å; R495-I522 HydrophobicContact CB-CG2 4.35Å; R495-I522 HydrophobicContact CG-CG1 4.32Å; P498-I522 HydrophobicContact CB-CG2 4.07Å; P498-I522 HydrophobicContact CG-CG2 3.97Å; Y520-I522 HydrophobicContact CD1-CD1 4.47Å; Y520-I522 HydrophobicContact CD1-CG1 4.17Å; Y520-I522 HydrophobicContact CE1-CD1 3.87Å; Y520-I522 HydrophobicContact CE1-CG1 3.74Å; I522-V532 HydrophobicContact CD1-CG1 4.4Å; I522-V532 HydrophobicContact CG2-CG1 3.95Å; I522-L536 HydrophobicContact CD1-CD1 4.02Å; I522-L536 HydrophobicContact CD1-CD2 3.74Å; I522-L536 HydrophobicContact CD1-CG 4.24Å
523	V	92.4	Very high	86.9	Confident	0 Å²	0	51 Å²	51	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93	121.2	178	-168.3	0	0	0	0	108.7	L249 C251 R374 V494 R495 F496	L249-V523 HydrophobicContact CD2-CG2 4.35Å; C251-V523 WeakPolarHBondContact SG-CG1 3.34Å; R374-V523 HydrophobicContact CG-CG1 3.58Å; V494-V523 HydrophobicContact CG1-CG2 3.64Å; R495-V523 PolarHBondContact O-N 3.46Å; F496-V523 VanDerWaalsContact O-O 3.13Å
524	C	91	Very high	87.5	Confident	0 Å²	0	58.7 Å²	58.7	0%	0	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	164.9	175.1	67.8	0	0	0	0	111	V248 L249 C250 C251 E528 V532	V248-C524 VanDerWaalsContact CG1-SG 3.58Å; L249-C524 PolarHBondContact O-N 3.27Å; C250-C524 CarbonylContact C-O 3.58Å; C250-C524 WeakPolarHBondContact CA-O 3.37Å; C251-C524 PolarHBondContact N-O 3.01Å; C251-C524 PolarHBondContact SG-O 3.09Å; C251-C524 VanDerWaalsContact SG-O 3.4Å; C524-E528 HydrophobicContact CB-CB 4.31Å; C524-V532 HydrophobicContact CB-CG2 3.72Å
525	K	87.7	Confident	88.1	Confident	73 Å²	73	60 Å²	60	32%	0.317	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	158.4	169	-59.8	-178.9	-179.7	-177.5	0	110.3	D527 E528 E529	K525-D527 VanDerWaalsContact C-N 3.29Å; K525-D527 WeakPolarHBondContact CB-OD1 3.43Å; K525-D527 PolarHBondContact O-N 3.4Å; K525-E528 HydrophobicContact CB-CB 4.48Å; K525-E528 HydrophobicContact CB-CG 4.24Å; K525-E528 PolarHBondContact O-N 2.9Å; K525-E528 VanDerWaalsContact O-N 3.12Å; K525-E529 PolarHBondContact O-N 3.1Å
526	T	86.5	Confident	88.5	Confident	64 Å²	64	60.2 Å²	60.2	39%	0.393	30%	0.299	S	S	.	.	G	3₁₀ helix	trans	-60.6	-36.7	179.2	-53.4	0	0	0	0	112.8	C251 E528 E529	C251-T526 PolarHBondContact O-N 2.99Å; C251-T526 PolarHBondContact O-OG1 2.82Å; T526-E528 VanDerWaalsContact C-N 3.28Å; T526-E528 PolarHBondContact O-N 3.08Å; T526-E529 WeakPolarHBondContact O-CB 3.47Å; T526-E529 PolarHBondContact O-N 2.8Å
527	D	86.6	Confident	89	Confident	128 Å²	128	56.6 Å²	56.6	68%	0.684	29%	0.286	S	S	*	.	G	3₁₀ helix	trans	-70.6	-22.1	176.5	61.9	-38.6	0	0	0	113.2	K525	K525-D527 VanDerWaalsContact C-N 3.29Å; K525-D527 WeakPolarHBondContact CB-OD1 3.43Å; K525-D527 PolarHBondContact O-N 3.4Å
528	E	88.3	Confident	89.3	Confident	64 Å²	64	54.9 Å²	54.9	30%	0.299	27%	0.268	S	S	.	.	G	3₁₀ helix	trans	-91.3	-7.3	177.7	-63.8	-179.4	150.2	0	0	113.5	C524 K525 T526 E530 K531 V532	C524-E528 HydrophobicContact CB-CB 4.31Å; K525-E528 HydrophobicContact CB-CB 4.48Å; K525-E528 HydrophobicContact CB-CG 4.24Å; K525-E528 PolarHBondContact O-N 2.9Å; K525-E528 VanDerWaalsContact O-N 3.12Å; T526-E528 VanDerWaalsContact C-N 3.28Å; T526-E528 PolarHBondContact O-N 3.08Å; E528-E530 PolarHBondContact O-N 3.3Å; E528-K531 WeakPolarHBondContact O-CB 3.32Å; E528-K531 PolarHBondContact O-N 3.49Å; E528-K531 VanDerWaalsContact O-N 3.1Å; E528-V532 WeakPolarHBondContact O-CG2 3.47Å; E528-V532 PolarHBondContact O-N 3.29Å
529	E	89.1	Confident	89.3	Confident	52 Å²	52	55.3 Å²	55.3	24%	0.243	27%	0.269	C	S	.	.	H	α-helix	trans	-55.6	-50.3	-172.3	-179.3	178.1	170.2	0	0	112.4	C250 K525 T526 K531 V532 K533	C250-E529 WeakPolarHBondContact SG-CG 3.22Å; C250-E529 PolarHBondContact SG-OE2 2.83Å; K525-E529 PolarHBondContact O-N 3.1Å; T526-E529 WeakPolarHBondContact O-CB 3.47Å; T526-E529 PolarHBondContact O-N 2.8Å; E529-K531 VanDerWaalsContact C-N 3.29Å; E529-K531 PolarHBondContact O-N 3.29Å; E529-V532 PolarHBondContact O-N 3.2Å; E529-V532 VanDerWaalsContact O-N 3.16Å; E529-K533 HydrophobicContact CG-CD 4.31Å; E529-K533 WeakPolarHBondContact O-CG 3.5Å; E529-K533 PolarHBondContact O-N 3.47Å; E529-K533 WeakPolarHBondContact OE1-CE 3.09Å; E529-K533 IonicContact OE1-NZ 2.94Å; E529-K533 PolarHBondContact OE1-NZ 3.12Å
530	E	90.5	Very high	89	Confident	126 Å²	126	58 Å²	58	59%	0.589	28%	0.284	S	S	*	.	H	α-helix	trans	-64.8	-34.7	-179.7	-72.4	-54.8	128.9	0	0	112.2	E528 K533 K534	E528-E530 PolarHBondContact O-N 3.3Å; E530-K533 PolarHBondContact O-N 2.95Å; E530-K533 IonicContact OE1-NZ 3.28Å; E530-K533 PolarHBondContact OE1-NZ 2.82Å; E530-K534 VanDerWaalsContact O-CB 3.31Å; E530-K534 WeakPolarHBondContact O-CB 3.35Å; E530-K534 PolarHBondContact O-N 2.95Å
531	K	90.7	Very high	88.7	Confident	163 Å²	163	62.8 Å²	62.8	71%	0.709	31%	0.306	S	S	*	.	H	α-helix	trans	-65.5	-42.4	174.5	-174.4	-178.6	177	-175.3	0	111	E528 E529 L535	E528-K531 WeakPolarHBondContact O-CB 3.32Å; E528-K531 PolarHBondContact O-N 3.49Å; E528-K531 VanDerWaalsContact O-N 3.1Å; E529-K531 VanDerWaalsContact C-N 3.29Å; E529-K531 PolarHBondContact O-N 3.29Å; K531-L535 WeakPolarHBondContact O-CB 3.37Å; K531-L535 PolarHBondContact O-N 3.01Å
532	V	89.8	Confident	88.3	Confident	7 Å²	7	63 Å²	63	4%	0.042	31%	0.307	C	S	.	.	H	α-helix	trans	-67.1	-44	177.2	176.1	0	0	0	0	111.1	V248 P498 I522 C524 E528 E529 K534 L535 L536	V248-V532 HydrophobicContact CG1-CG1 4.46Å; V248-V532 HydrophobicContact CG2-CG1 4.42Å; P498-V532 HydrophobicContact CB-CG2 4.42Å; P498-V532 HydrophobicContact CG-CG2 4.06Å; I522-V532 HydrophobicContact CD1-CG1 4.4Å; I522-V532 HydrophobicContact CG2-CG1 3.95Å; C524-V532 HydrophobicContact CB-CG2 3.72Å; E528-V532 WeakPolarHBondContact O-CG2 3.47Å; E528-V532 PolarHBondContact O-N 3.29Å; E529-V532 PolarHBondContact O-N 3.2Å; E529-V532 VanDerWaalsContact O-N 3.16Å; V532-K534 PolarHBondContact O-N 3.32Å; V532-L535 WeakPolarHBondContact O-CB 3.44Å; V532-L535 PolarHBondContact O-N 3.01Å; V532-L536 HydrophobicContact CG1-CD1 4.41Å; V532-L536 WeakPolarHBondContact O-CG 3.28Å; V532-L536 PolarHBondContact O-N 3.32Å
533	K	89.5	Confident	87.7	Confident	75 Å²	75	63.9 Å²	63.9	33%	0.326	31%	0.311	S	S	.	.	H	α-helix	trans	-59.7	-46.7	175.4	-73.4	177.5	-173	159.3	0	111.7	E529 E530 L535 L536 L537	E529-K533 HydrophobicContact CG-CD 4.31Å; E529-K533 WeakPolarHBondContact O-CG 3.5Å; E529-K533 PolarHBondContact O-N 3.47Å; E529-K533 WeakPolarHBondContact OE1-CE 3.09Å; E529-K533 IonicContact OE1-NZ 2.94Å; E529-K533 PolarHBondContact OE1-NZ 3.12Å; E530-K533 PolarHBondContact O-N 2.95Å; E530-K533 IonicContact OE1-NZ 3.28Å; E530-K533 PolarHBondContact OE1-NZ 2.82Å; K533-L535 VanDerWaalsContact C-N 3.29Å; K533-L535 PolarHBondContact O-N 3.44Å; K533-L536 PolarHBondContact O-N 3.3Å; K533-L537 WeakPolarHBondContact O-CG 3.41Å; K533-L537 PolarHBondContact O-N 3.37Å
534	K	89.4	Confident	87.3	Confident	164 Å²	164	66.9 Å²	66.9	71%	0.713	33%	0.332	S	S	*	.	H	α-helix	trans	-60.7	-39.5	176.7	-172.2	174.1	-177.8	175	0	112.1	E530 V532 L537 G538	E530-K534 VanDerWaalsContact O-CB 3.31Å; E530-K534 WeakPolarHBondContact O-CB 3.35Å; E530-K534 PolarHBondContact O-N 2.95Å; V532-K534 PolarHBondContact O-N 3.32Å; K534-L537 PolarHBondContact O-N 3.06Å; K534-G538 PolarHBondContact O-N 3.07Å; K534-G538 VanDerWaalsContact O-N 3.07Å
535	L	88.3	Confident	87	Confident	64 Å²	64	70 Å²	70	34%	0.335	35%	0.346	S	S	.	.	H	α-helix	trans	-62.4	-44.6	175.2	-176.8	63.8	0	0	0	111.8	P499 K531 V532 K533 G538 F539	P499-L535 WeakPolarHBondContact O-CD2 3.42Å; K531-L535 WeakPolarHBondContact O-CB 3.37Å; K531-L535 PolarHBondContact O-N 3.01Å; V532-L535 WeakPolarHBondContact O-CB 3.44Å; V532-L535 PolarHBondContact O-N 3.01Å; K533-L535 VanDerWaalsContact C-N 3.29Å; K533-L535 PolarHBondContact O-N 3.44Å; L535-G538 PolarHBondContact O-N 2.86Å; L535-F539 HydrophobicContact CD1-CE1 3.91Å; L535-F539 HydrophobicContact CD1-CE2 4.18Å; L535-F539 HydrophobicContact CD1-CZ 3.55Å; L535-F539 HydrophobicContact CD2-CE2 4.29Å; L535-F539 HydrophobicContact CD2-CZ 4.22Å; L535-F539 HydrophobicContact CG-CE1 4.36Å; L535-F539 HydrophobicContact CG-CE2 3.74Å; L535-F539 HydrophobicContact CG-CZ 3.64Å; L535-F539 WeakPolarHBondContact O-CG 3.39Å; L535-F539 PolarHBondContact O-N 2.77Å; L535-F539 VanDerWaalsContact O-N 3.12Å
536	L	87.5	Confident	86.9	Confident	20 Å²	20	66.8 Å²	66.8	11%	0.105	33%	0.332	C	S	.	.	H	α-helix	trans	-63.2	-42.1	176.1	-71.1	175.4	0	0	0	112.7	V246 V248 Y505 I522 V532 K533 G538 F539 L540	V246-L536 HydrophobicContact CG1-CD1 4.24Å; V248-L536 HydrophobicContact CG2-CD1 3.96Å; Y505-L536 HydrophobicContact CD2-CD2 4.17Å; Y505-L536 HydrophobicContact CE2-CD2 3.86Å; I522-L536 HydrophobicContact CD1-CD1 4.02Å; I522-L536 HydrophobicContact CD1-CD2 3.74Å; I522-L536 HydrophobicContact CD1-CG 4.24Å; V532-L536 HydrophobicContact CG1-CD1 4.41Å; V532-L536 WeakPolarHBondContact O-CG 3.28Å; V532-L536 PolarHBondContact O-N 3.32Å; K533-L536 PolarHBondContact O-N 3.3Å; L536-G538 VanDerWaalsContact C-N 3.3Å; L536-G538 PolarHBondContact O-N 2.63Å; L536-F539 HydrophobicContact CD2-CD2 4.29Å; L536-F539 WeakPolarHBondContact O-CB 3.42Å; L536-F539 PolarHBondContact O-N 2.91Å; L536-F539 VanDerWaalsContact O-N 3.11Å; L536-L540 WeakPolarHBondContact O-CG 3.41Å; L536-L540 PolarHBondContact O-N 3.35Å
537	L	86.7	Confident	86.7	Confident	107 Å²	107	64.3 Å²	64.3	56%	0.56	32%	0.318	S	S	*	.	H	α-helix	trans	-59.2	-43	174.7	-71.9	171.1	0	0	0	111.2	K533 K534 F539 L540 E541	K533-L537 WeakPolarHBondContact O-CG 3.41Å; K533-L537 PolarHBondContact O-N 3.37Å; K534-L537 PolarHBondContact O-N 3.06Å; L537-F539 VanDerWaalsContact C-N 3.27Å; L537-F539 PolarHBondContact O-N 3.22Å; L537-L540 PolarHBondContact O-N 3.02Å; L537-E541 PolarHBondContact O-N 3.33Å
538	G	86.5	Confident	86.5	Confident	15 Å²	15	64 Å²	64	16%	0.155	32%	0.317	C	S	.	.	H	α-helix	trans	-61.3	-33	174.7	0	0	0	0	0	113.6	K534 L535 L536 T542	K534-G538 PolarHBondContact O-N 3.07Å; K534-G538 VanDerWaalsContact O-N 3.07Å; L535-G538 PolarHBondContact O-N 2.86Å; L536-G538 VanDerWaalsContact C-N 3.3Å; L536-G538 PolarHBondContact O-N 2.63Å; G538-T542 WeakPolarHBondContact O-CB 3.37Å; G538-T542 PolarHBondContact O-N 3.04Å; G538-T542 VanDerWaalsContact O-N 3.12Å; G538-T542 PolarHBondContact O-OG1 3.33Å
539	F	86.1	Confident	86.3	Confident	13 Å²	13	62.2 Å²	62.2	6%	0.057	31%	0.307	C	S	.	.	H	α-helix	trans	-70.2	-42.3	173.2	-64.4	-22.5	0	0	0	112.4	P499 F502 Y505 L535 L536 L537 T542 E543	P499-F539 HydrophobicContact CB-CE2 4.45Å; P499-F539 HydrophobicContact CG-CE2 4.07Å; F502-F539 HydrophobicContact CB-CD1 3.74Å; F502-F539 HydrophobicContact CB-CE1 4Å; F502-F539 HydrophobicContact CD2-CB 3.72Å; F502-F539 AromaticContact CD2-CD1 3.91Å; F502-F539 HydrophobicContact CD2-CD1 3.91Å; F502-F539 AromaticContact CD2-CG 3.99Å; F502-F539 HydrophobicContact CD2-CG 3.99Å; F502-F539 HydrophobicContact CE2-CB 4.23Å; F502-F539 WeakPolarHBondContact CE2-O 3.41Å; F502-F539 HydrophobicContact CG-CD1 4.34Å; F502-F539 VanDerWaalsContact N-CE1 3.26Å; Y505-F539 HydrophobicContact CD1-CB 3.89Å; Y505-F539 AromaticContact CD1-CD2 3.89Å; Y505-F539 HydrophobicContact CD1-CD2 3.89Å; Y505-F539 HydrophobicContact CD1-CG 4.14Å; Y505-F539 HydrophobicContact CD2-CD2 4.23Å; Y505-F539 HydrophobicContact CE1-CB 4.11Å; Y505-F539 AromaticContact CG-CD2 3.68Å; Y505-F539 HydrophobicContact CG-CD2 3.68Å; Y505-F539 HydrophobicContact CG-CE2 4.25Å; Y505-F539 HydrophobicContact CG-CG 4.36Å; L535-F539 HydrophobicContact CD1-CE1 3.91Å; L535-F539 HydrophobicContact CD1-CE2 4.18Å; L535-F539 HydrophobicContact CD1-CZ 3.55Å; L535-F539 HydrophobicContact CD2-CE2 4.29Å; L535-F539 HydrophobicContact CD2-CZ 4.22Å; L535-F539 HydrophobicContact CG-CE1 4.36Å; L535-F539 HydrophobicContact CG-CE2 3.74Å; L535-F539 HydrophobicContact CG-CZ 3.64Å; L535-F539 WeakPolarHBondContact O-CG 3.39Å; L535-F539 PolarHBondContact O-N 2.77Å; L535-F539 VanDerWaalsContact O-N 3.12Å; L536-F539 HydrophobicContact CD2-CD2 4.29Å; L536-F539 WeakPolarHBondContact O-CB 3.42Å; L536-F539 PolarHBondContact O-N 2.91Å; L536-F539 VanDerWaalsContact O-N 3.11Å; L537-F539 VanDerWaalsContact C-N 3.27Å; L537-F539 PolarHBondContact O-N 3.22Å; F539-T542 WeakPolarHBondContact O-CB 3.5Å; F539-T542 PolarHBondContact O-N 3.09Å; F539-E543 PolarHBondContact O-N 2.96Å
540	L	82.8	Confident	85.8	Confident	83 Å²	83	67.1 Å²	67.1	44%	0.435	33%	0.33	S	S	.	.	H	α-helix	trans	-64.1	-40.6	175.8	-66.3	173.7	0	0	0	111.9	L536 L537 T542 E543 S544	L536-L540 WeakPolarHBondContact O-CG 3.41Å; L536-L540 PolarHBondContact O-N 3.35Å; L537-L540 PolarHBondContact O-N 3.02Å; L540-T542 VanDerWaalsContact C-N 3.29Å; L540-T542 PolarHBondContact O-N 3.17Å; L540-E543 PolarHBondContact O-N 2.77Å; L540-S544 PolarHBondContact O-N 3Å
541	E	85.8	Confident	85	Confident	101 Å²	101	61.9 Å²	61.9	47%	0.472	31%	0.308	S	S	.	.	H	α-helix	trans	-58.9	-41.6	172	-78.2	-178.9	176.4	0	0	112	S210 L537 E543 S544 K545	S210-E541 PolarHBondContact OG-OE2 3.39Å; L537-E541 PolarHBondContact O-N 3.33Å; E541-E543 VanDerWaalsContact C-N 3.35Å; E541-S544 PolarHBondContact O-N 2.88Å; E541-K545 WeakPolarHBondContact O-CB 3.46Å; E541-K545 VanDerWaalsContact O-CG 3.31Å; E541-K545 WeakPolarHBondContact O-CG 3.14Å; E541-K545 PolarHBondContact O-N 3.39Å
542	T	85.4	Confident	83.9	Confident	3 Å²	3	59.9 Å²	59.9	2%	0.018	31%	0.314	C	S	.	.	H	α-helix	trans	-66	-39.5	179.3	-58.4	0	0	0	0	111.3	L204 A213 F217 F502 G538 F539 L540 K545 L546	L204-T542 HydrophobicContact CD1-CG2 3.52Å; A213-T542 HydrophobicContact CB-CG2 4.22Å; F217-T542 HydrophobicContact CZ-CG2 4.43Å; F502-T542 HydrophobicContact CD1-CG2 3.81Å; F502-T542 HydrophobicContact CD2-CG2 4.18Å; F502-T542 HydrophobicContact CE1-CG2 3.9Å; F502-T542 HydrophobicContact CE2-CG2 4.27Å; F502-T542 HydrophobicContact CG-CG2 3.95Å; F502-T542 HydrophobicContact CZ-CG2 4.12Å; G538-T542 WeakPolarHBondContact O-CB 3.37Å; G538-T542 PolarHBondContact O-N 3.04Å; G538-T542 VanDerWaalsContact O-N 3.12Å; G538-T542 PolarHBondContact O-OG1 3.33Å; F539-T542 WeakPolarHBondContact O-CB 3.5Å; F539-T542 PolarHBondContact O-N 3.09Å; L540-T542 VanDerWaalsContact C-N 3.29Å; L540-T542 PolarHBondContact O-N 3.17Å; T542-K545 PolarHBondContact O-N 3.04Å; T542-L546 PolarHBondContact O-N 3.43Å
543	E	82.1	Confident	82.6	Confident	19 Å²	19	61.6 Å²	61.6	9%	0.089	33%	0.329	C	S	.	.	H	α-helix	trans	-65.3	-41.7	174.6	-172.4	165.5	-151.9	0	0	111.9	R56 F234 F502 F539 L540 E541 L546 A547	R56-E543 IonicContact CZ-OE1 3.61Å; R56-E543 IonicContact NE-OE1 3.1Å; R56-E543 PolarHBondContact NE-OE1 2.86Å; R56-E543 IonicContact NH2-OE1 3.09Å; R56-E543 PolarHBondContact NH2-OE1 2.65Å; R56-E543 IonicContact NH2-OE2 2.82Å; F234-E543 HydrophobicContact CE1-CG 4.05Å; F234-E543 HydrophobicContact CZ-CG 4.04Å; F502-E543 HydrophobicContact CE2-CB 4.16Å; F502-E543 HydrophobicContact CZ-CB 4.07Å; F539-E543 PolarHBondContact O-N 2.96Å; L540-E543 PolarHBondContact O-N 2.77Å; E541-E543 VanDerWaalsContact C-N 3.35Å; E543-L546 PolarHBondContact O-N 3.09Å; E543-A547 PolarHBondContact O-N 3.3Å
544	S	83	Confident	81.3	Confident	63 Å²	63	65.4 Å²	65.4	44%	0.441	35%	0.353	S	S	.	.	H	α-helix	trans	-63.4	-42.6	174.2	-178.6	0	0	0	0	112.4	L540 E541 L546 A547 N548	L540-S544 PolarHBondContact O-N 3Å; E541-S544 PolarHBondContact O-N 2.88Å; S544-L546 VanDerWaalsContact C-N 3.28Å; S544-L546 PolarHBondContact O-N 2.77Å; S544-A547 PolarHBondContact O-N 3.44Å; S544-N548 PolarHBondContact O-N 2.8Å; S544-N548 PolarHBondContact O-ND2 3.37Å
545	K	85.9	Confident	80	Confident	67 Å²	67	60.2 Å²	60.2	29%	0.291	33%	0.33	S	S	.	.	H	α-helix	trans	-59.8	-39.2	173.9	-77.7	168.6	175.4	165.9	0	111.9	S210 A213 L214 E541 T542 Y549	S210-K545 PolarHBondContact O-NZ 3.12Å; A213-K545 HydrophobicContact CB-CD 4.49Å; L214-K545 HydrophobicContact CD2-CB 4.33Å; E541-K545 WeakPolarHBondContact O-CB 3.46Å; E541-K545 VanDerWaalsContact O-CG 3.31Å; E541-K545 WeakPolarHBondContact O-CG 3.14Å; E541-K545 PolarHBondContact O-N 3.39Å; T542-K545 PolarHBondContact O-N 3.04Å; K545-Y549 WeakPolarHBondContact O-CB 3.14Å; K545-Y549 PolarHBondContact O-N 3.18Å; K545-Y549 VanDerWaalsContact O-N 3.12Å
546	L	84.9	Confident	78.1	Confident	4 Å²	4	59.3 Å²	59.3	2%	0.021	34%	0.337	C	S	.	.	H	α-helix	trans	-68.7	-44.6	176.9	-178.7	59.7	0	0	0	111.8	P54 V203 F217 I228 A230 T542 E543 S544 N548 Y549	P54-L546 HydrophobicContact CB-CD1 4.4Å; P54-L546 HydrophobicContact CB-CD2 4.07Å; P54-L546 HydrophobicContact CG-CD1 4.1Å; P54-L546 HydrophobicContact CG-CD2 4.39Å; P54-L546 HydrophobicContact CG-CG 4.45Å; V203-L546 HydrophobicContact CG1-CD1 4.31Å; V203-L546 HydrophobicContact CG2-CD1 3.67Å; V203-L546 HydrophobicContact CG2-CD2 4.02Å; V203-L546 HydrophobicContact CG2-CG 4.42Å; F217-L546 HydrophobicContact CD2-CD1 4.46Å; F217-L546 HydrophobicContact CE2-CB 4.14Å; F217-L546 HydrophobicContact CE2-CD1 4.1Å; F217-L546 HydrophobicContact CZ-CB 4.16Å; F217-L546 HydrophobicContact CZ-CD1 4.29Å; I228-L546 HydrophobicContact CG2-CD1 4.17Å; A230-L546 HydrophobicContact CB-CD1 4.29Å; A230-L546 HydrophobicContact CB-CG 4.35Å; A230-L546 WeakPolarHBondContact CB-O 3.41Å; T542-L546 PolarHBondContact O-N 3.43Å; E543-L546 PolarHBondContact O-N 3.09Å; S544-L546 VanDerWaalsContact C-N 3.28Å; S544-L546 PolarHBondContact O-N 2.77Å; L546-N548 VanDerWaalsContact C-N 3.26Å; L546-N548 PolarHBondContact O-N 2.91Å; L546-Y549 WeakPolarHBondContact O-CB 3.48Å; L546-Y549 PolarHBondContact O-N 3.36Å; L546-Y549 VanDerWaalsContact O-N 3.16Å
547	A	81.4	Confident	76.1	Confident	12 Å²	12	65.1 Å²	65.1	10%	0.099	37%	0.368	C	S	.	.	H	α-helix	trans	-61.4	-35.4	179.2	0	0	0	0	0	112.4	S231 F234 E543 S544	S231-A547 WeakPolarHBondContact CA-O 3.14Å; F234-A547 HydrophobicContact CD1-CB 4.17Å; F234-A547 HydrophobicContact CE1-CB 4.49Å; E543-A547 PolarHBondContact O-N 3.3Å; S544-A547 PolarHBondContact O-N 3.44Å
548	N	82.4	Confident	74.3	Confident	122 Å²	122	62.4 Å²	62.4	65%	0.652	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.8	11.1	178.7	-60.6	-53.9	0	0	0	113.4	S544 L546 E550	S544-N548 PolarHBondContact O-N 2.8Å; S544-N548 PolarHBondContact O-ND2 3.37Å; L546-N548 VanDerWaalsContact C-N 3.26Å; L546-N548 PolarHBondContact O-N 2.91Å; N548-E550 PolarHBondContact O-N 3.38Å
549	Y	84.7	Confident	72.4	Confident	26 Å²	26	68.6 Å²	68.6	10%	0.102	37%	0.373	C	S	.	.			trans	-72.7	119.9	-177.2	-174.7	-107.1	0	0	0	110.8	L214 F217 E221 I228 K545 L546	L214-Y549 HydrophobicContact CD2-CD2 3.78Å; L214-Y549 HydrophobicContact CD2-CE2 4.17Å; F217-Y549 HydrophobicContact CB-CE1 4.35Å; F217-Y549 HydrophobicContact CB-CE2 4.09Å; F217-Y549 AromaticContact CD2-CD2 3.76Å; F217-Y549 HydrophobicContact CD2-CD2 3.76Å; F217-Y549 HydrophobicContact CD2-CE2 4.09Å; F217-Y549 HydrophobicContact CD2-CG 4.01Å; E221-Y549 PolarHBondContact OE2-OH 3.03Å; I228-Y549 HydrophobicContact CB-CD1 3.95Å; I228-Y549 HydrophobicContact CB-CE1 4.07Å; I228-Y549 HydrophobicContact CD1-CD1 4.2Å; I228-Y549 HydrophobicContact CD1-CE1 3.92Å; I228-Y549 HydrophobicContact CG2-CD1 3.98Å; K545-Y549 WeakPolarHBondContact O-CB 3.14Å; K545-Y549 PolarHBondContact O-N 3.18Å; K545-Y549 VanDerWaalsContact O-N 3.12Å; L546-Y549 WeakPolarHBondContact O-CB 3.48Å; L546-Y549 PolarHBondContact O-N 3.36Å; L546-Y549 VanDerWaalsContact O-N 3.16Å
550	E	79.2	Confident	70.6	Confident	156 Å²	156	72 Å²	72	73%	0.729	40%	0.398	S	S	*	.			trans	-112.5	115.8	169.8	-66.4	-171.8	161.1	0	0	109.2	N548 S552	N548-E550 PolarHBondContact O-N 3.38Å; E550-S552 PolarHBondContact O-N 3.35Å
551	S	73.1	Confident	69.1	Low	16 Å²	16	72 Å²	72	11%	0.112	40%	0.397	C	S	.	.			trans	-66.3	129.5	176.6	-172.9	0	0	0	0	110.8	E221 A553	E221-S551 VanDerWaalsContact CD-OG 3.25Å; E221-S551 WeakPolarHBondContact OE1-CB 3.29Å; E221-S551 PolarHBondContact OE1-OG 3.19Å; E221-S551 VanDerWaalsContact OE1-OG 3.1Å; E221-S551 WeakPolarHBondContact OE2-CB 3.46Å; E221-S551 PolarHBondContact OE2-OG 3.01Å; S551-A553 PolarHBondContact OG-N 3.21Å
552	S	67.9	Low	67.9	Low	121 Å²	121	68.5 Å²	68.5	85%	0.846	38%	0.38	S	S	*	.			trans	-102.1	2.6	169.3	56.4	0	0	0	0	112.7	E550 D554	E550-S552 PolarHBondContact O-N 3.35Å; S552-D554 PolarHBondContact O-N 3.19Å
553	A	61.9	Low	66.7	Low	43 Å²	43	68.7 Å²	68.7	36%	0.355	38%	0.381	S	S	.	.			trans	-78.3	115.2	-172.7	0	0	0	0	0	111	S551 F555	S551-A553 PolarHBondContact OG-N 3.21Å; A553-F555 HydrophobicContact CB-CD1 4.37Å; A553-F555 HydrophobicContact CB-CE1 3.67Å; A553-F555 HydrophobicContact CB-CE2 4.19Å; A553-F555 HydrophobicContact CB-CZ 3.56Å; A553-F555 WeakPolarHBondContact O-CE2 3.1Å
554	D	62	Low	66	Low	154 Å²	154	68.3 Å²	68.3	82%	0.824	38%	0.38	S	S	*	.			trans	-87.5	112.3	164.8	-158.6	-14.1	0	0	0	108.9	S552 G556	S552-D554 PolarHBondContact O-N 3.19Å; D554-G556 VanDerWaalsContact C-N 3.25Å; D554-G556 PolarHBondContact O-N 3.17Å; D554-G556 PolarHBondContact OD1-N 2.99Å
555	F	62.2	Low	65.4	Low	55 Å²	55	73.4 Å²	73.4	24%	0.241	40%	0.397	C	S	.	.			trans	-86.1	2.5	-177.1	-52.9	-75.3	0	0	0	112.8	E221 R227 A553 D557	E221-F555 HydrophobicContact CB-CE1 4.11Å; E221-F555 HydrophobicContact CB-CZ 3.89Å; E221-F555 WeakPolarHBondContact O-CE1 3.13Å; R227-F555 HydrophobicContact CB-CE2 4.39Å; A553-F555 HydrophobicContact CB-CD1 4.37Å; A553-F555 HydrophobicContact CB-CE1 3.67Å; A553-F555 HydrophobicContact CB-CE2 4.19Å; A553-F555 HydrophobicContact CB-CZ 3.56Å; A553-F555 WeakPolarHBondContact O-CE2 3.1Å; F555-D557 VanDerWaalsContact C-N 3.28Å; F555-D557 PolarHBondContact O-N 3.09Å
556	G	49.4	Very low	65.2	Low	46 Å²	46	71.2 Å²	71.2	47%	0.474	39%	0.388	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.9	-31.2	-170.3	0	0	0	0	0	115.9	D554	D554-G556 VanDerWaalsContact C-N 3.25Å; D554-G556 PolarHBondContact O-N 3.17Å; D554-G556 PolarHBondContact OD1-N 2.99Å
557	D	44.3	Very low	65	Low	141 Å²	141	71.2 Å²	71.2	75%	0.754	39%	0.388	S	S	*	.	T	Hydrogen-bonded Turn	trans	-125.3	14	-163.3	-78.3	-28.9	0	0	0	116.6	F555 Y559	F555-D557 VanDerWaalsContact C-N 3.28Å; F555-D557 PolarHBondContact O-N 3.09Å; D557-Y559 VanDerWaalsContact C-N 3.29Å; D557-Y559 PolarHBondContact O-N 3.29Å
558	M	50.4	Low	65.1	Low	50 Å²	50	77.8 Å²	77.8	25%	0.246	41%	0.41	C	S	.	.			trans	-83.9	74.9	-178.4	-159	143.4	55	0	0	112.5	V186 Q222 C560	V186-M558 WeakPolarHBondContact CG1-O 3.31Å; Q222-M558 HydrophobicContact CG-CE 3.23Å; Q222-M558 HydrophobicContact CG-SD 4.28Å; Q222-M558 PolarHBondContact NE2-SD 2.99Å; M558-C560 VanDerWaalsContact C-N 3.33Å
559	Y	46.7	Very low	65.2	Low	146 Å²	146	76.4 Å²	76.4	57%	0.573	40%	0.402	S	S	*	.			trans	-86.5	3.8	174.6	-68.7	-80.4	0	0	0	113.9	P190 D557	P190-Y559 HydrophobicContact CG-CE1 4.1Å; P190-Y559 WeakPolarHBondContact CG-OH 3.06Å; D557-Y559 VanDerWaalsContact C-N 3.29Å; D557-Y559 PolarHBondContact O-N 3.29Å
560	C	47.6	Very low	65.4	Low	85 Å²	85	75.9 Å²	75.9	57%	0.574	40%	0.402	S	S	*	.	S	Bend	trans	-96.3	133.7	-175.1	51.8	0	0	0	0	112.8	M558 R562	M558-C560 VanDerWaalsContact C-N 3.33Å; C560-R562 WeakPolarHBondContact O-CG 3.41Å; C560-R562 PolarHBondContact O-N 2.89Å; C560-R562 VanDerWaalsContact O-N 3.14Å
561	D	51.9	Low	65.9	Low	81 Å²	81	72.1 Å²	72.1	43%	0.433	40%	0.397	S	S	.	.			trans	-44.4	110.2	-168.8	-140.7	-16.6	0	0	0	113.3	R187 D563 R568	R187-D561 IonicContact CZ-OD1 3.96Å; R187-D561 VanDerWaalsContact CZ-OD1 3.24Å; R187-D561 IonicContact NE-OD1 2.67Å; R187-D561 IonicContact NH1-OD1 3.07Å; R187-D561 IonicContact NH2-OD1 3.82Å; R187-D561 PolarHBondContact NH2-OD1 3.2Å; D561-D563 PolarHBondContact O-N 3.27Å; D561-R568 PolarHBondContact O-NE 3.07Å; D561-R568 PolarHBondContact O-NH2 3.24Å
562	R	59.5	Low	66.7	Low	28 Å²	28	72.6 Å²	72.6	11%	0.106	40%	0.4	C	S	.	.			trans	-88.7	26	178.6	-68.3	-149.5	-63.5	-151.8	0.2	113.3	N183 Q222 T223 C225 C560 T564	N183-R562 VanDerWaalsContact CG-O 3.23Å; N183-R562 PolarHBondContact ND2-O 3.45Å; N183-R562 PolarHBondContact OD1-O 3.06Å; Q222-R562 VanDerWaalsContact C-NH1 3.31Å; Q222-R562 VanDerWaalsContact O-CZ 3.32Å; Q222-R562 PolarHBondContact O-NH1 3.48Å; Q222-R562 PolarHBondContact O-NH2 3.21Å; T223-R562 PolarHBondContact O-NH2 3.17Å; T223-R562 VanDerWaalsContact O-NH2 3.15Å; C225-R562 PolarHBondContact SG-NH2 3.49Å; C560-R562 WeakPolarHBondContact O-CG 3.41Å; C560-R562 PolarHBondContact O-N 2.89Å; C560-R562 VanDerWaalsContact O-N 3.14Å; R562-T564 PolarHBondContact O-N 3.24Å
563	D	61.3	Low	68	Low	7 Å²	7	69 Å²	69	4%	0.037	37%	0.369	C	S	.	.			trans	-48.2	136.3	163.7	-75.4	-17.7	0	0	0	109.4	N183 R187 D561 D567 R568	N183-D563 WeakPolarHBondContact ND2-CA 3.37Å; N183-D563 PolarHBondContact ND2-OD1 3.28Å; R187-D563 IonicContact CZ-OD1 3.36Å; R187-D563 IonicContact NH2-OD1 2.69Å; R187-D563 PolarHBondContact NH2-OD1 3.17Å; R187-D563 IonicContact NH2-OD2 3.86Å; R187-D563 PolarHBondContact NH2-OD2 3.21Å; D561-D563 PolarHBondContact O-N 3.27Å; D563-D567 HydrophobicContact CB-CB 3.91Å; D563-R568 HydrophobicContact CB-CG 3.91Å; D563-R568 WeakPolarHBondContact O-CD 3.45Å; D563-R568 WeakPolarHBondContact O-CG 3.33Å; D563-R568 PolarHBondContact O-NE 2.97Å
564	T	66.2	Low	69.4	Low	11 Å²	11	70.3 Å²	70.3	7%	0.067	37%	0.369	C	S	.	.			trans	-53.3	154.7	-178.1	61.6	0	0	0	0	108.4	G174 N175 L180 R562 M566 D567 R568	G174-T564 WeakPolarHBondContact O-CG2 3.4Å; N175-T564 WeakPolarHBondContact OD1-CB 3.4Å; N175-T564 WeakPolarHBondContact OD1-CG2 3.23Å; N175-T564 PolarHBondContact OD1-OG1 2.9Å; N175-T564 VanDerWaalsContact OD1-OG1 3.12Å; L180-T564 HydrophobicContact CD2-CG2 4.04Å; R562-T564 PolarHBondContact O-N 3.24Å; T564-M566 CarbonylContact O-C 3.47Å; T564-M566 PolarHBondContact O-N 2.76Å; T564-D567 PolarHBondContact O-N 2.67Å; T564-D567 VanDerWaalsContact OG1-CB 3.29Å; T564-D567 WeakPolarHBondContact OG1-CB 3.21Å; T564-D567 PolarHBondContact OG1-N 3.3Å; T564-D567 PolarHBondContact OG1-OD2 3.22Å; T564-R568 WeakPolarHBondContact O-CG 2.97Å; T564-R568 PolarHBondContact O-N 2.87Å
565	E	71.8	Confident	70.8	Confident	170 Å²	170	63.5 Å²	63.5	79%	0.794	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-47.9	-34.2	177.2	-79.6	-176.1	151.5	0	0	112.1
566	M	79.9	Confident	72.2	Confident	22 Å²	22	65.3 Å²	65.3	11%	0.108	35%	0.35	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.8	-46.9	174.3	-174.8	174.4	73.5	0	0	113.5	N175 T564 R568 L569 L591 L654	N175-M566 WeakPolarHBondContact ND2-CE 3.46Å; T564-M566 CarbonylContact O-C 3.47Å; T564-M566 PolarHBondContact O-N 2.76Å; M566-R568 PolarHBondContact O-N 3.23Å; M566-L569 WeakPolarHBondContact O-CB 3.37Å; M566-L569 WeakPolarHBondContact O-CG 3.38Å; M566-L569 PolarHBondContact O-N 3.4Å; M566-L591 HydrophobicContact CG-CD2 3.88Å; M566-L591 HydrophobicContact CG-CG 4.49Å; M566-L591 WeakPolarHBondContact O-CD2 3.45Å; M566-L654 HydrophobicContact CG-CD2 3.66Å; M566-L654 HydrophobicContact SD-CD2 3.95Å
567	D	81.9	Confident	74	Confident	3 Å²	3	63.6 Å²	63.6	2%	0.016	33%	0.33	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.2	-16.4	-178.5	-67.4	-38.2	0	0	0	113.1	D563 T564 L569 T590 L591 S592	D563-D567 HydrophobicContact CB-CB 3.91Å; T564-D567 PolarHBondContact O-N 2.67Å; T564-D567 VanDerWaalsContact OG1-CB 3.29Å; T564-D567 WeakPolarHBondContact OG1-CB 3.21Å; T564-D567 PolarHBondContact OG1-N 3.3Å; T564-D567 PolarHBondContact OG1-OD2 3.22Å; D567-L569 VanDerWaalsContact C-N 3.29Å; D567-T590 WeakPolarHBondContact OD1-CB 3.41Å; D567-L591 WeakPolarHBondContact OD1-CB 3.43Å; D567-L591 PolarHBondContact OD1-N 3.28Å; D567-L591 VanDerWaalsContact OD1-N 3.11Å; D567-S592 VanDerWaalsContact CG-OG 3.28Å; D567-S592 WeakPolarHBondContact OD1-CB 3.35Å; D567-S592 PolarHBondContact OD1-N 2.98Å; D567-S592 PolarHBondContact OD1-OG 2.76Å; D567-S592 WeakPolarHBondContact OD2-CB 3.44Å; D567-S592 PolarHBondContact OD2-OG 3.18Å
568	R	82.5	Confident	75.7	Confident	150 Å²	150	61.4 Å²	61.4	57%	0.566	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.7	-20.6	170.2	-72.6	174.3	177	172.2	-0.7	113.8	D561 D563 T564 M566 V570	D561-R568 PolarHBondContact O-NE 3.07Å; D561-R568 PolarHBondContact O-NH2 3.24Å; D563-R568 HydrophobicContact CB-CG 3.91Å; D563-R568 WeakPolarHBondContact O-CD 3.45Å; D563-R568 WeakPolarHBondContact O-CG 3.33Å; D563-R568 PolarHBondContact O-NE 2.97Å; T564-R568 WeakPolarHBondContact O-CG 2.97Å; T564-R568 PolarHBondContact O-N 2.87Å; M566-R568 PolarHBondContact O-N 3.23Å; R568-V570 VanDerWaalsContact C-N 3.3Å; R568-V570 PolarHBondContact O-N 3.36Å
569	L	86	Confident	76.7	Confident	94 Å²	94	60 Å²	60	49%	0.492	32%	0.317	S	S	.	.	S	Bend	trans	-69.2	-31	-176.1	-61	173.9	0	0	0	112.4	M566 D567 L591 M649 L654	M566-L569 WeakPolarHBondContact O-CB 3.37Å; M566-L569 WeakPolarHBondContact O-CG 3.38Å; M566-L569 PolarHBondContact O-N 3.4Å; D567-L569 VanDerWaalsContact C-N 3.29Å; L569-L591 HydrophobicContact CB-CD2 4.41Å; L569-M649 HydrophobicContact CB-CE 3.86Å; L569-M649 HydrophobicContact CD1-CE 3.73Å; L569-M649 HydrophobicContact CG-CE 4.43Å; L569-L654 HydrophobicContact CD1-CD1 3.91Å; L569-L654 HydrophobicContact CD1-CD2 4.03Å
570	V	88.4	Confident	77.8	Confident	14 Å²	14	61.5 Å²	61.5	9%	0.085	34%	0.335	C	S	.	.	S	Bend	trans	-139.6	127.5	-178.5	-174.7	0	0	0	0	108.8	R568 L591 L647 M649 L661	R568-V570 VanDerWaalsContact C-N 3.3Å; R568-V570 PolarHBondContact O-N 3.36Å; V570-L591 HydrophobicContact CB-CD1 4.39Å; V570-L591 HydrophobicContact CG2-CD1 4.22Å; V570-L591 HydrophobicContact CG2-CD2 4.36Å; V570-L647 HydrophobicContact CG1-CD1 4.01Å; V570-L647 HydrophobicContact CG2-CD1 4.25Å; V570-M649 HydrophobicContact CG2-CE 4.11Å; V570-M649 HydrophobicContact CG2-SD 4.14Å; V570-L661 HydrophobicContact CB-CD2 4.31Å; V570-L661 HydrophobicContact CG1-CD2 3.7Å
571	A	89.2	Confident	78.7	Confident	77 Å²	77	63 Å²	63	64%	0.636	34%	0.337	S	S	*	.	P	Polyproline II helix	trans	-54.6	134.2	179.5	0	0	0	0	0	111.5
572	P	90.8	Very high	79.7	Confident	27 Å²	27	61.6 Å²	61.6	18%	0.175	34%	0.342	C	S	.	.	P	Polyproline II helix	trans	-68.1	153.1	-179.7	28.8	-35.3	0	0	0	111.5	R588 I589 T590	P572-R588 HydrophobicContact CB-CG 3.83Å; P572-I589 CarbonylContact C-O 3.6Å; P572-I589 WeakPolarHBondContact CA-O 3.47Å; P572-I589 WeakPolarHBondContact CB-O 3.05Å; P572-T590 HydrophobicContact CB-CG2 4.17Å
573	Y	94	Very high	80.4	Confident	46 Å²	46	61.6 Å²	61.6	18%	0.18	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	123.3	171.1	-175.9	-118.8	0	0	0	110.2	R588 I589 K665 H668 L677	Y573-R588 CarbonylContact O-C 3.56Å; Y573-R588 VanDerWaalsContact O-CA 3.31Å; Y573-R588 WeakPolarHBondContact O-CA 3.46Å; Y573-I589 PolarHBondContact N-O 2.88Å; Y573-I589 PolarHBondContact O-N 3.12Å; Y573-K665 HydrophobicContact CD1-CG 4.14Å; Y573-K665 HydrophobicContact CD2-CB 4.38Å; Y573-K665 HydrophobicContact CD2-CD 4.06Å; Y573-K665 HydrophobicContact CD2-CG 3.57Å; Y573-K665 HydrophobicContact CE2-CB 4.36Å; Y573-K665 HydrophobicContact CE2-CG 4.03Å; Y573-K665 HydrophobicContact CG-CD 4.43Å; Y573-K665 HydrophobicContact CG-CG 3.61Å; Y573-H668 HydrophobicContact CE1-CB 3.87Å; Y573-H668 AromaticContact CE1-CG 3.92Å; Y573-H668 AromaticContact CE1-ND1 3.41Å; Y573-H668 WeakPolarHBondContact CE1-ND1 2.93Å; Y573-H668 AromaticContact CZ-ND1 3.52Å; Y573-H668 PolarHBondContact OH-ND1 3.28Å; Y573-L677 HydrophobicContact CD1-CD1 4.16Å; Y573-L677 HydrophobicContact CD1-CD2 4.07Å; Y573-L677 HydrophobicContact CE1-CD2 3.72Å
574	N	92.4	Very high	81.3	Confident	69 Å²	69	69 Å²	69	37%	0.369	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	135.3	-176.3	-66.6	-43.4	0	0	0	110.3	V586 A587 R588	N574-V586 HydrophobicContact CB-CG1 3.63Å; N574-A587 CarbonylContact C-O 3.56Å; N574-A587 VanDerWaalsContact CA-O 3.31Å; N574-A587 WeakPolarHBondContact CA-O 3.49Å; N574-R588 VanDerWaalsContact OD1-CG 3.31Å; N574-R588 WeakPolarHBondContact OD1-CG 3.45Å; N574-R588 PolarHBondContact OD1-NE 2.68Å
575	A	91.6	Very high	82.3	Confident	11 Å²	11	70 Å²	70	9%	0.091	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	122.7	168	0	0	0	0	0	108.5	V586 A587 L677	A575-V586 CarbonylContact O-C 3.53Å; A575-V586 WeakPolarHBondContact O-CA 3.31Å; A575-A587 HydrophobicContact CB-CB 4.39Å; A575-A587 PolarHBondContact N-O 2.7Å; A575-A587 PolarHBondContact O-N 3.21Å; A575-L677 HydrophobicContact CB-CD1 4.17Å; A575-L677 HydrophobicContact CB-CD2 3.83Å; A575-L677 HydrophobicContact CB-CG 4.01Å
576	T	90	Very high	83.1	Confident	94 Å²	94	64.4 Å²	64.4	58%	0.577	36%	0.358	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-88	122.1	178.4	-53.6	0	0	0	0	109.3	K584 R585	T576-K584 HydrophobicContact CG2-CB 4.3Å; T576-K584 HydrophobicContact CG2-CD 4.38Å; T576-R585 CarbonylContact C-O 3.59Å; T576-R585 WeakPolarHBondContact CA-O 3.42Å
577	L	86.8	Confident	83.7	Confident	10 Å²	10	63.3 Å²	63.3	5%	0.052	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	138.5	172.5	-56.8	99.4	0	0	0	109.3	A154 K584 R585 A587 E675 H676	A154-L577 HydrophobicContact CB-CD1 3.78Å; L577-K584 CarbonylContact O-C 3.56Å; L577-K584 WeakPolarHBondContact O-CA 3.15Å; L577-R585 PolarHBondContact N-O 3.39Å; L577-R585 PolarHBondContact O-N 3.49Å; L577-A587 HydrophobicContact CD1-CB 3.64Å; L577-E675 HydrophobicContact CD2-CB 3.56Å; L577-E675 HydrophobicContact CG-CB 4.26Å; L577-H676 VanDerWaalsContact CD2-CE1 3.44Å; L577-H676 WeakPolarHBondContact CD2-CE1 3.49Å
578	T	81.3	Confident	84.1	Confident	95 Å²	95	64.1 Å²	64.1	58%	0.583	36%	0.355	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-103.9	118.1	170	-49	0	0	0	0	107.3
579	S	70.8	Confident	84.6	Confident	20 Å²	20	57 Å²	57	14%	0.14	33%	0.329	C	S	.	.	P	Polyproline II helix	trans	-78.7	162.8	176.8	-55.6	0	0	0	0	110.3	D581 G582 S583	S579-D581 WeakPolarHBondContact CB-OD1 3.13Å; S579-D581 PolarHBondContact O-N 2.58Å; S579-D581 VanDerWaalsContact O-N 3.11Å; S579-G582 WeakPolarHBondContact O-CA 3.33Å; S579-G582 PolarHBondContact O-N 3.1Å; S579-S583 WeakPolarHBondContact CB-O 3.1Å; S579-S583 WeakPolarHBondContact CB-OG 3.48Å; S579-S583 PolarHBondContact N-O 3.07Å; S579-S583 PolarHBondContact OG-O 3.01Å
580	D	69.7	Low	84.8	Confident	177 Å²	177	52.8 Å²	52.8	95%	0.947	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.4	-24.5	-178.2	-57.8	-28.1	0	0	0	113.3	G582	D580-G582 PolarHBondContact O-N 2.92Å
581	D	67.3	Low	84.9	Confident	117 Å²	117	52.1 Å²	52.1	63%	0.626	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.9	4.9	175.4	65.1	-0.6	0	0	0	113.6	S579 S583	S579-D581 WeakPolarHBondContact CB-OD1 3.13Å; S579-D581 PolarHBondContact O-N 2.58Å; S579-D581 VanDerWaalsContact O-N 3.11Å; D581-S583 VanDerWaalsContact CG-OG 3.32Å; D581-S583 PolarHBondContact O-N 3.25Å; D581-S583 WeakPolarHBondContact OD1-CB 3.28Å; D581-S583 PolarHBondContact OD1-N 2.94Å; D581-S583 PolarHBondContact OD1-OG 3.31Å; D581-S583 PolarHBondContact OD2-OG 2.85Å
582	G	71.4	Confident	84.8	Confident	52 Å²	52	49.5 Å²	49.5	54%	0.536	28%	0.28	S	S	.	.	S	Bend	trans	78.1	-1.6	-175.4	0	0	0	0	0	114.3	S579 D580 K584	S579-G582 WeakPolarHBondContact O-CA 3.33Å; S579-G582 PolarHBondContact O-N 3.1Å; D580-G582 PolarHBondContact O-N 2.92Å; G582-K584 PolarHBondContact O-N 3.24Å
583	S	74.4	Confident	84.7	Confident	28 Å²	28	48.8 Å²	48.8	20%	0.196	28%	0.275	C	S	.	.			trans	-70.8	128.6	176.6	70.4	0	0	0	0	110.6	S579 D581	S579-S583 WeakPolarHBondContact CB-O 3.1Å; S579-S583 WeakPolarHBondContact CB-OG 3.48Å; S579-S583 PolarHBondContact N-O 3.07Å; S579-S583 PolarHBondContact OG-O 3.01Å; D581-S583 VanDerWaalsContact CG-OG 3.32Å; D581-S583 PolarHBondContact O-N 3.25Å; D581-S583 WeakPolarHBondContact OD1-CB 3.28Å; D581-S583 PolarHBondContact OD1-N 2.94Å; D581-S583 PolarHBondContact OD1-OG 3.31Å; D581-S583 PolarHBondContact OD2-OG 2.85Å
584	K	81.5	Confident	84.6	Confident	161 Å²	161	46.6 Å²	46.6	70%	0.7	27%	0.267	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-88.5	122.1	175	-67.8	-175.3	-178.2	-179.9	0	109.4	T576 L577 G582	T576-K584 HydrophobicContact CG2-CB 4.3Å; T576-K584 HydrophobicContact CG2-CD 4.38Å; L577-K584 CarbonylContact O-C 3.56Å; L577-K584 WeakPolarHBondContact O-CA 3.15Å; G582-K584 PolarHBondContact O-N 3.24Å
585	R	86.1	Confident	84.5	Confident	32 Å²	32	44.3 Å²	44.3	12%	0.121	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	155.7	171.7	-58	-176	-172	177.2	4.6	109.3	A154 F155 T576 L577	A154-R585 HydrophobicContact CB-CB 3.87Å; F155-R585 PolarHBondContact O-NH1 3.38Å; T576-R585 CarbonylContact C-O 3.59Å; T576-R585 WeakPolarHBondContact CA-O 3.42Å; L577-R585 PolarHBondContact N-O 3.39Å; L577-R585 PolarHBondContact O-N 3.49Å
586	V	89.2	Confident	84.3	Confident	53 Å²	53	47.8 Å²	47.8	32%	0.321	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	110.8	-178.9	179.8	0	0	0	0	108.8	N574 A575	N574-V586 HydrophobicContact CB-CG1 3.63Å; A575-V586 CarbonylContact O-C 3.53Å; A575-V586 WeakPolarHBondContact O-CA 3.31Å
587	A	91.7	Very high	84.3	Confident	0 Å²	0	43.4 Å²	43.4	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.3	141.4	164.7	0	0	0	0	0	108.8	N152 A154 N574 A575 L577 L677	N152-A587 CarbonylContact O-C 3.42Å; N152-A587 WeakPolarHBondContact O-CA 3.32Å; A154-A587 HydrophobicContact CB-CB 4.1Å; N574-A587 CarbonylContact C-O 3.56Å; N574-A587 VanDerWaalsContact CA-O 3.31Å; N574-A587 WeakPolarHBondContact CA-O 3.49Å; A575-A587 HydrophobicContact CB-CB 4.39Å; A575-A587 PolarHBondContact N-O 2.7Å; A575-A587 PolarHBondContact O-N 3.21Å; L577-A587 HydrophobicContact CD1-CB 3.64Å; A587-L677 HydrophobicContact CB-CD1 3.95Å; A587-L677 HydrophobicContact CB-CG 3.97Å
588	R	91.7	Very high	84.4	Confident	19 Å²	19	42.9 Å²	42.9	7%	0.072	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	134.1	-171.8	-177.1	174.6	-65.5	128.8	9.8	111.8	N152 R187 P572 Y573 N574 T590	N152-R588 PolarHBondContact O-N 3.21Å; R187-R588 VanDerWaalsContact CZ-CZ 3.43Å; P572-R588 HydrophobicContact CB-CG 3.83Å; Y573-R588 CarbonylContact O-C 3.56Å; Y573-R588 VanDerWaalsContact O-CA 3.31Å; Y573-R588 WeakPolarHBondContact O-CA 3.46Å; N574-R588 VanDerWaalsContact OD1-CG 3.31Å; N574-R588 WeakPolarHBondContact OD1-CG 3.45Å; N574-R588 PolarHBondContact OD1-NE 2.68Å; R588-T590 HydrophobicContact CG-CG2 3.97Å
589	I	92.1	Very high	84.7	Confident	1 Å²	1	41.6 Å²	41.6	1%	0.005	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	128.3	162.6	-62.7	175.2	0	0	0	108.6	P572 Y573 A594 I597 L661 C664 L677	P572-I589 CarbonylContact C-O 3.6Å; P572-I589 WeakPolarHBondContact CA-O 3.47Å; P572-I589 WeakPolarHBondContact CB-O 3.05Å; Y573-I589 PolarHBondContact N-O 2.88Å; Y573-I589 PolarHBondContact O-N 3.12Å; I589-A594 HydrophobicContact CG2-CB 3.71Å; I589-I597 HydrophobicContact CD1-CG1 4.31Å; I589-I597 HydrophobicContact CD1-CG2 4.21Å; I589-L661 HydrophobicContact CB-CD1 4.16Å; I589-L661 HydrophobicContact CG2-CD1 3.59Å; I589-C664 HydrophobicContact CD1-CB 3.61Å; I589-C664 HydrophobicContact CG2-CB 4.41Å; I589-L677 HydrophobicContact CD1-CB 3.74Å; I589-L677 HydrophobicContact CD1-CD1 4.11Å; I589-L677 HydrophobicContact CD1-CG 4.41Å; I589-L677 HydrophobicContact CG1-CB 3.97Å; I589-L677 HydrophobicContact CG1-CD1 3.76Å; I589-L677 HydrophobicContact CG1-CG 4.48Å
590	T	91.1	Very high	85.3	Confident	5 Å²	5	41.4 Å²	41.4	3%	0.031	22%	0.22	C	C	.	.			trans	-108.9	170.9	177.5	60.3	0	0	0	0	110.5	D567 P572 R588 S592 T593 A594	D567-T590 WeakPolarHBondContact OD1-CB 3.41Å; P572-T590 HydrophobicContact CB-CG2 4.17Å; R588-T590 HydrophobicContact CG-CG2 3.97Å; T590-S592 PolarHBondContact O-N 3.11Å; T590-S592 PolarHBondContact OG1-OG 3.32Å; T590-T593 PolarHBondContact N-OG1 3.4Å; T590-T593 PolarHBondContact O-N 3.12Å; T590-T593 PolarHBondContact O-OG1 3.43Å; T590-T593 PolarHBondContact OG1-N 3.41Å; T590-T593 PolarHBondContact OG1-OG1 2.87Å; T590-A594 WeakPolarHBondContact O-CB 3.35Å; T590-A594 PolarHBondContact O-N 3.36Å
591	L	90.5	Very high	86	Confident	0 Å²	0	33.7 Å²	33.7	0%	0	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.3	-35	175	-163.7	68.8	0	0	0	111.8	M566 D567 L569 V570 M649 L654 R657 A658 L661	M566-L591 HydrophobicContact CG-CD2 3.88Å; M566-L591 HydrophobicContact CG-CG 4.49Å; M566-L591 WeakPolarHBondContact O-CD2 3.45Å; D567-L591 WeakPolarHBondContact OD1-CB 3.43Å; D567-L591 PolarHBondContact OD1-N 3.28Å; D567-L591 VanDerWaalsContact OD1-N 3.11Å; L569-L591 HydrophobicContact CB-CD2 4.41Å; V570-L591 HydrophobicContact CB-CD1 4.39Å; V570-L591 HydrophobicContact CG2-CD1 4.22Å; V570-L591 HydrophobicContact CG2-CD2 4.36Å; L591-M649 HydrophobicContact CD2-CE 3.95Å; L591-L654 HydrophobicContact CD2-CD2 4.03Å; L591-R657 VanDerWaalsContact CD1-C 3.49Å; L591-R657 HydrophobicContact CD1-CB 3.73Å; L591-R657 HydrophobicContact CG-CB 3.81Å; L591-R657 WeakPolarHBondContact O-CB 3.48Å; L591-A658 HydrophobicContact CD1-CB 4.03Å; L591-L661 HydrophobicContact CD1-CD2 4.48Å
592	S	87.4	Confident	86.8	Confident	22 Å²	22	28.3 Å²	28.3	15%	0.154	15%	0.15	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.3	-33.8	177.2	52.6	0	0	0	0	113.8	D567 T590 R657	D567-S592 VanDerWaalsContact CG-OG 3.28Å; D567-S592 WeakPolarHBondContact OD1-CB 3.35Å; D567-S592 PolarHBondContact OD1-N 2.98Å; D567-S592 PolarHBondContact OD1-OG 2.76Å; D567-S592 WeakPolarHBondContact OD2-CB 3.44Å; D567-S592 PolarHBondContact OD2-OG 3.18Å; T590-S592 PolarHBondContact O-N 3.11Å; T590-S592 PolarHBondContact OG1-OG 3.32Å; S592-R657 PolarHBondContact O-NH1 3.28Å
593	T	87.7	Confident	87.1	Confident	13 Å²	13	31.5 Å²	31.5	8%	0.08	16%	0.155	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.2	-25.5	-170.8	52.5	0	0	0	0	114	T590 T595 R596	T590-T593 PolarHBondContact N-OG1 3.4Å; T590-T593 PolarHBondContact O-N 3.12Å; T590-T593 PolarHBondContact O-OG1 3.43Å; T590-T593 PolarHBondContact OG1-N 3.41Å; T590-T593 PolarHBondContact OG1-OG1 2.87Å; T593-T595 PolarHBondContact O-N 3.01Å; T593-R596 PolarHBondContact O-N 3.06Å; T593-R596 VanDerWaalsContact O-N 3.14Å
594	A	92.8	Very high	87.3	Confident	0 Å²	0	34 Å²	34	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-53.1	-45.8	-171.3	0	0	0	0	0	114.9	I589 T590 R596 I597 V598 A660 L661	I589-A594 HydrophobicContact CG2-CB 3.71Å; T590-A594 WeakPolarHBondContact O-CB 3.35Å; T590-A594 PolarHBondContact O-N 3.36Å; A594-R596 PolarHBondContact O-N 2.94Å; A594-I597 PolarHBondContact O-N 3.33Å; A594-V598 PolarHBondContact O-N 2.9Å; A594-V598 VanDerWaalsContact O-N 3.12Å; A594-A660 HydrophobicContact CB-CB 3.98Å; A594-L661 HydrophobicContact CB-CB 3.87Å; A594-L661 HydrophobicContact CB-CD1 4.28Å
595	T	90.3	Very high	87	Confident	20 Å²	20	27.3 Å²	27.3	12%	0.123	13%	0.134	C	C	.	.	H	α-helix	trans	-56.6	-38.9	-177.7	-51.6	0	0	0	0	112.3	T593 V598 H599	T593-T595 PolarHBondContact O-N 3.01Å; T595-V598 PolarHBondContact O-N 3.47Å; T595-H599 PolarHBondContact O-CD2 2.99Å; T595-H599 PolarHBondContact O-N 3.35Å; T595-H599 VanDerWaalsContact O-N 3.08Å
596	R	87.5	Confident	86.1	Confident	85 Å²	85	31.3 Å²	31.3	32%	0.321	16%	0.164	S	C	.	.	H	α-helix	trans	-67.4	-38.9	179.7	-172.5	177.4	62	153.5	-7.3	111.6	F123 D149 T593 A594 H599 M600	F123-R596 VanDerWaalsContact CZ-CZ 3.4Å; D149-R596 IonicContact OD1-CZ 3.92Å; D149-R596 IonicContact OD1-NH1 2.76Å; D149-R596 IonicContact OD1-NH2 3.05Å; D149-R596 PolarHBondContact OD1-NH2 3.02Å; D149-R596 IonicContact OD2-CZ 2.67Å; D149-R596 IonicContact OD2-NH1 3.85Å; D149-R596 PolarHBondContact OD2-NH1 3.12Å; D149-R596 IonicContact OD2-NH2 2.65Å; D149-R596 PolarHBondContact OD2-NH2 3.14Å; T593-R596 PolarHBondContact O-N 3.06Å; T593-R596 VanDerWaalsContact O-N 3.14Å; A594-R596 PolarHBondContact O-N 2.94Å; R596-H599 PolarHBondContact O-N 3.46Å; R596-M600 WeakPolarHBondContact O-CB 3.49Å; R596-M600 PolarHBondContact O-N 3.25Å
597	I	89.1	Confident	84.6	Confident	1 Å²	1	33.7 Å²	33.7	1%	0.005	17%	0.172	C	C	.	.	H	α-helix	trans	-65.1	-42.4	178.3	-54.3	-54.7	0	0	0	110.9	F123 I589 A594 M600 F601 L673 L678	F123-I597 HydrophobicContact CE2-CD1 3.88Å; F123-I597 HydrophobicContact CZ-CD1 3.75Å; I589-I597 HydrophobicContact CD1-CG1 4.31Å; I589-I597 HydrophobicContact CD1-CG2 4.21Å; A594-I597 PolarHBondContact O-N 3.33Å; I597-M600 PolarHBondContact O-N 3.13Å; I597-F601 PolarHBondContact O-N 2.77Å; I597-L673 HydrophobicContact CG2-CD1 4.27Å; I597-L673 HydrophobicContact CG2-CD2 4.47Å; I597-L678 HydrophobicContact CD1-CD2 3.89Å
598	V	89.7	Confident	82.7	Confident	0 Å²	0	35.6 Å²	35.6	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-62.9	-44.4	175.9	179.4	0	0	0	0	111.6	A594 T595 F601 C602 I615 I637 A660 T663 C664	A594-V598 PolarHBondContact O-N 2.9Å; A594-V598 VanDerWaalsContact O-N 3.12Å; T595-V598 PolarHBondContact O-N 3.47Å; V598-F601 PolarHBondContact O-N 3.49Å; V598-C602 PolarHBondContact O-N 3.09Å; V598-C602 VanDerWaalsContact O-N 3.14Å; V598-C602 PolarHBondContact O-SG 3.03Å; V598-I615 HydrophobicContact CG1-CD1 3.99Å; V598-I637 HydrophobicContact CG1-CD1 4.33Å; V598-A660 HydrophobicContact CG2-CB 3.9Å; V598-A660 WeakPolarHBondContact CG2-O 3.3Å; V598-T663 HydrophobicContact CG1-CG2 4.33Å; V598-T663 HydrophobicContact CG2-CG2 4.11Å; V598-C664 VanDerWaalsContact CG2-SG 3.53Å
599	H	87.4	Confident	80.8	Confident	68 Å²	68	41.1 Å²	41.1	32%	0.315	22%	0.223	S	C	.	.	H	α-helix	trans	-59.6	-48.3	175.6	-82.4	-69.8	0	0	0	111.6	T595 R596 F601 C602 D603 I615 Y617	T595-H599 PolarHBondContact O-CD2 2.99Å; T595-H599 PolarHBondContact O-N 3.35Å; T595-H599 VanDerWaalsContact O-N 3.08Å; R596-H599 PolarHBondContact O-N 3.46Å; H599-F601 VanDerWaalsContact C-N 3.3Å; H599-F601 PolarHBondContact O-N 3.11Å; H599-C602 PolarHBondContact O-N 2.92Å; H599-D603 PolarHBondContact O-N 3.38Å; H599-I615 WeakPolarHBondContact ND1-CD1 3.19Å; H599-Y617 PolarHBondContact CE1-OH 3.46Å; H599-Y617 VanDerWaalsContact CE1-OH 3.23Å; H599-Y617 PolarHBondContact NE2-OH 2.96Å
600	M	81.8	Confident	78.6	Confident	15 Å²	15	47 Å²	47	7%	0.074	26%	0.258	C	S	.	.	H	α-helix	trans	-60.1	-40.2	178	-175.7	177	-65.3	0	0	112.8	G121 F123 R596 I597 C602 D603 K604 P679	G121-M600 WeakPolarHBondContact O-CE 3.46Å; F123-M600 HydrophobicContact CD2-CE 3.25Å; F123-M600 HydrophobicContact CD2-SD 3.38Å; F123-M600 WeakPolarHBondContact CD2-SD 3.42Å; F123-M600 HydrophobicContact CE2-CE 3.1Å; F123-M600 HydrophobicContact CE2-SD 3.42Å; F123-M600 WeakPolarHBondContact CE2-SD 3.32Å; F123-M600 HydrophobicContact CG-CE 4.37Å; F123-M600 HydrophobicContact CZ-CE 4.17Å; R596-M600 WeakPolarHBondContact O-CB 3.49Å; R596-M600 PolarHBondContact O-N 3.25Å; I597-M600 PolarHBondContact O-N 3.13Å; M600-C602 VanDerWaalsContact C-N 3.26Å; M600-C602 PolarHBondContact O-N 2.98Å; M600-D603 PolarHBondContact O-N 3.39Å; M600-K604 PolarHBondContact O-N 2.7Å; M600-P679 HydrophobicContact CB-CG 4.32Å; M600-P679 HydrophobicContact CG-CG 4.05Å; M600-P679 HydrophobicContact SD-CG 4.46Å
601	F	85.9	Confident	76.5	Confident	16 Å²	16	50.3 Å²	50.3	7%	0.07	29%	0.293	C	S	.	.	H	α-helix	trans	-58.1	-44.2	175.1	174.8	-99.2	0	0	0	111	I597 V598 H599 K604 L605 I637 I640 L667 R672 L673 P679	I597-F601 PolarHBondContact O-N 2.77Å; V598-F601 PolarHBondContact O-N 3.49Å; H599-F601 VanDerWaalsContact C-N 3.3Å; H599-F601 PolarHBondContact O-N 3.11Å; F601-K604 PolarHBondContact O-N 2.86Å; F601-L605 HydrophobicContact CE1-CD1 4.17Å; F601-L605 HydrophobicContact CE1-CD2 4.09Å; F601-L605 HydrophobicContact CE1-CG 4.33Å; F601-L605 HydrophobicContact CZ-CD2 3.97Å; F601-I637 HydrophobicContact CD1-CD1 4.38Å; F601-I640 HydrophobicContact CE1-CD1 3.82Å; F601-I640 HydrophobicContact CZ-CD1 4.23Å; F601-L667 HydrophobicContact CB-CD1 4.39Å; F601-L667 HydrophobicContact CD1-CD1 3.88Å; F601-L667 HydrophobicContact CD1-CD2 4.33Å; F601-L667 HydrophobicContact CD2-CD1 4.4Å; F601-L667 HydrophobicContact CE1-CD1 4.31Å; F601-L667 HydrophobicContact CE1-CD2 3.91Å; F601-L667 HydrophobicContact CE2-CD2 4.34Å; F601-L667 HydrophobicContact CG-CD1 3.94Å; F601-L667 HydrophobicContact CZ-CD2 3.92Å; F601-R672 HydrophobicContact CE2-CB 3.98Å; F601-R672 HydrophobicContact CZ-CB 4.44Å; F601-L673 HydrophobicContact CD2-CD2 4.23Å; F601-P679 VanDerWaalsContact CA-CG 3.45Å; F601-P679 HydrophobicContact CB-CB 4.27Å; F601-P679 HydrophobicContact CB-CG 3.73Å; F601-P679 HydrophobicContact CD2-CB 4.06Å; F601-P679 HydrophobicContact CD2-CG 4.33Å
602	C	83.7	Confident	74.5	Confident	3 Å²	3	58.6 Å²	58.6	2%	0.02	33%	0.329	C	S	.	.	H	α-helix	trans	-71	-35	-178.4	-63.3	0	0	0	0	112.9	V598 H599 M600 K604 L605 I615	V598-C602 PolarHBondContact O-N 3.09Å; V598-C602 VanDerWaalsContact O-N 3.14Å; V598-C602 PolarHBondContact O-SG 3.03Å; H599-C602 PolarHBondContact O-N 2.92Å; M600-C602 VanDerWaalsContact C-N 3.26Å; M600-C602 PolarHBondContact O-N 2.98Å; C602-K604 PolarHBondContact O-N 2.96Å; C602-L605 WeakPolarHBondContact O-CB 3.31Å; C602-L605 PolarHBondContact O-N 3.47Å; C602-L605 VanDerWaalsContact O-N 3.15Å; C602-I615 HydrophobicContact CB-CD1 3.81Å; C602-I615 HydrophobicContact CB-CG1 3.81Å; C602-I615 WeakPolarHBondContact SG-CD1 3.47Å; C602-I615 WeakPolarHBondContact SG-CG1 3.34Å
603	D	78.1	Confident	72.9	Confident	120 Å²	120	58.7 Å²	58.7	64%	0.642	33%	0.332	S	S	*	.	H	α-helix	trans	-64	-25.5	175.9	-66.3	-22	0	0	0	112.1	H599 M600	H599-D603 PolarHBondContact O-N 3.38Å; M600-D603 PolarHBondContact O-N 3.39Å
604	K	77	Confident	71.9	Confident	79 Å²	79	66 Å²	66	34%	0.343	36%	0.362	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.1	-3.3	176.5	-65.1	-164.2	-168.5	177.9	0	114.6	M600 F601 C602 P679 F680	M600-K604 PolarHBondContact O-N 2.7Å; F601-K604 PolarHBondContact O-N 2.86Å; C602-K604 PolarHBondContact O-N 2.96Å; K604-P679 HydrophobicContact CD-CB 4.01Å; K604-P679 PolarHBondContact NZ-O 2.92Å; K604-F680 VanDerWaalsContact CD-O 3.29Å; K604-F680 WeakPolarHBondContact CD-O 3.01Å
605	L	77	Confident	71.4	Confident	22 Å²	22	67 Å²	67	12%	0.115	37%	0.367	C	S	.	.	S	Bend	trans	-70.7	141.3	178.1	-70.3	171.1	0	0	0	110.6	F601 C602 E607 A608 A613 I637 I640	F601-L605 HydrophobicContact CE1-CD1 4.17Å; F601-L605 HydrophobicContact CE1-CD2 4.09Å; F601-L605 HydrophobicContact CE1-CG 4.33Å; F601-L605 HydrophobicContact CZ-CD2 3.97Å; C602-L605 WeakPolarHBondContact O-CB 3.31Å; C602-L605 PolarHBondContact O-N 3.47Å; C602-L605 VanDerWaalsContact O-N 3.15Å; L605-E607 PolarHBondContact O-N 2.97Å; L605-A608 WeakPolarHBondContact O-CB 3.04Å; L605-A608 PolarHBondContact O-N 3.32Å; L605-A613 HydrophobicContact CB-CB 4.43Å; L605-I637 HydrophobicContact CD1-CG2 4.02Å; L605-I640 HydrophobicContact CD2-CG2 4.05Å
606	P	65.5	Low	71.2	Confident	116 Å²	116	70.2 Å²	70.2	75%	0.753	38%	0.382	S	S	*	.	G	3₁₀ helix	trans	-54.9	-31.7	-177.7	-25	32.2	0	0	0	114.1	A608	P606-A608 PolarHBondContact O-N 3.41Å
607	E	57.6	Low	71.4	Confident	103 Å²	103	69 Å²	69	48%	0.481	38%	0.378	S	S	.	.	G	3₁₀ helix	trans	-74.9	-6.9	179.2	-63.9	-176.6	164.7	0	0	114.1	L605 V609 V610 S639	L605-E607 PolarHBondContact O-N 2.97Å; E607-V609 PolarHBondContact O-N 3.35Å; E607-V610 PolarHBondContact O-N 2.96Å; E607-S639 WeakPolarHBondContact OE2-CB 3.11Å; E607-S639 PolarHBondContact OE2-OG 2.84Å
608	A	52.7	Low	71.5	Confident	39 Å²	39	73.8 Å²	73.8	32%	0.322	40%	0.399	S	S	.	.	G	3₁₀ helix	trans	-66.2	-28.2	177	0	0	0	0	0	112.2	L605 P606 V610 G611 A613	L605-A608 WeakPolarHBondContact O-CB 3.04Å; L605-A608 PolarHBondContact O-N 3.32Å; P606-A608 PolarHBondContact O-N 3.41Å; A608-V610 VanDerWaalsContact C-N 3.26Å; A608-V610 PolarHBondContact O-N 3.4Å; A608-G611 PolarHBondContact O-N 3.49Å; A608-A613 HydrophobicContact CB-CB 4.08Å
609	V	51.3	Low	71.6	Confident	136 Å²	136	77.5 Å²	77.5	82%	0.824	42%	0.415	S	S	*	.	G	3₁₀ helix	trans	-70.8	-22.3	-179.1	-172.2	0	0	0	0	112.1	E607	E607-V609 PolarHBondContact O-N 3.35Å
610	V	47.2	Very low	71.8	Confident	124 Å²	124	81.6 Å²	81.6	75%	0.752	43%	0.428	S	S	*	.	G	3₁₀ helix	trans	-116.3	50.2	176.7	-161.2	0	0	0	0	110.6	E607 A608 K612	E607-V610 PolarHBondContact O-N 2.96Å; A608-V610 VanDerWaalsContact C-N 3.26Å; A608-V610 PolarHBondContact O-N 3.4Å; V610-K612 VanDerWaalsContact C-N 3.29Å; V610-K612 PolarHBondContact O-N 3.28Å
611	G	47.3	Very low	72.3	Confident	74 Å²	74	83.7 Å²	83.7	76%	0.763	44%	0.441	S	S	*	.	T	Hydrogen-bonded Turn	trans	61.6	17.2	157.2	0	0	0	0	0	118.3	A608	A608-G611 PolarHBondContact O-N 3.49Å
612	K	48.3	Very low	72.5	Confident	175 Å²	175	86.9 Å²	86.9	76%	0.761	46%	0.456	S	S	*	.			trans	-138.5	5.5	-173.5	-74.2	-169.8	-179.9	176.9	0	118.3	V610 K614	V610-K612 VanDerWaalsContact C-N 3.29Å; V610-K612 PolarHBondContact O-N 3.28Å; K612-K614 PolarHBondContact O-N 3Å
613	A	53.1	Low	72.8	Confident	24 Å²	24	93.6 Å²	93.6	20%	0.198	49%	0.485	C	S	.	.			trans	-75.3	73.1	166.6	0	0	0	0	0	110.8	L605 A608	L605-A613 HydrophobicContact CB-CB 4.43Å; A608-A613 HydrophobicContact CB-CB 4.08Å
614	K	66.6	Low	73.2	Confident	167 Å²	167	91.2 Å²	91.2	73%	0.726	47%	0.472	S	S	*	.			trans	-103.7	109.1	-176	-145.9	176	-171.2	178.1	0	109.9	K612 M616	K612-K614 PolarHBondContact O-N 3Å; K614-M616 PolarHBondContact O-N 2.89Å
615	I	83.3	Confident	73.6	Confident	21 Å²	21	92.8 Å²	92.8	11%	0.108	50%	0.501	C	S	.	.			trans	-57.3	126.5	167.4	-59.4	159.8	0	0	0	108	V598 H599 C602 Y617 I635	V598-I615 HydrophobicContact CG1-CD1 3.99Å; H599-I615 WeakPolarHBondContact ND1-CD1 3.19Å; C602-I615 HydrophobicContact CB-CD1 3.81Å; C602-I615 HydrophobicContact CB-CG1 3.81Å; C602-I615 WeakPolarHBondContact SG-CD1 3.47Å; C602-I615 WeakPolarHBondContact SG-CG1 3.34Å; I615-Y617 HydrophobicContact CB-CE2 4.31Å; I615-Y617 HydrophobicContact CG2-CD1 4.42Å; I615-Y617 HydrophobicContact CG2-CD2 4.46Å; I615-Y617 HydrophobicContact CG2-CE1 3.75Å; I615-Y617 HydrophobicContact CG2-CE2 3.81Å; I615-I635 HydrophobicContact CG2-CG2 3.88Å
616	M	85.3	Confident	74	Confident	86 Å²	86	99.3 Å²	99.3	42%	0.424	53%	0.534	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	139.8	173.7	-63.5	-159	-66	0	0	110.2	K614 I635 E636 P638	K614-M616 PolarHBondContact O-N 2.89Å; M616-I635 WeakPolarHBondContact O-CA 3.21Å; M616-E636 HydrophobicContact CB-CB 4.17Å; M616-E636 PolarHBondContact N-O 3.42Å; M616-E636 PolarHBondContact O-N 3Å; M616-P638 HydrophobicContact CE-CG 4.01Å
617	Y	90.6	Very high	74.8	Confident	59 Å²	59	96.1 Å²	96.1	23%	0.231	52%	0.523	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	118.5	176.8	-56.6	-80.7	0	0	0	108.7	H599 I615 I634 I635 K656	H599-Y617 PolarHBondContact CE1-OH 3.46Å; H599-Y617 VanDerWaalsContact CE1-OH 3.23Å; H599-Y617 PolarHBondContact NE2-OH 2.96Å; I615-Y617 HydrophobicContact CB-CE2 4.31Å; I615-Y617 HydrophobicContact CG2-CD1 4.42Å; I615-Y617 HydrophobicContact CG2-CD2 4.46Å; I615-Y617 HydrophobicContact CG2-CE1 3.75Å; I615-Y617 HydrophobicContact CG2-CE2 3.81Å; Y617-I634 WeakPolarHBondContact CA-O 3.44Å; Y617-I635 HydrophobicContact CD1-CD1 4.31Å; Y617-I635 HydrophobicContact CD1-CG1 3.74Å; Y617-I635 HydrophobicContact CE1-CD1 3.86Å; Y617-I635 HydrophobicContact CE1-CG1 3.75Å; Y617-K656 HydrophobicContact CD1-CD 4.29Å; Y617-K656 HydrophobicContact CD1-CG 3.86Å; Y617-K656 HydrophobicContact CE1-CD 4.15Å; Y617-K656 HydrophobicContact CE1-CG 3.84Å; Y617-K656 WeakPolarHBondContact OH-CE 3.36Å
618	K	91.6	Very high	76.2	Confident	103 Å²	103	94.9 Å²	94.9	45%	0.448	52%	0.522	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	128.3	171.5	-65.1	175.4	179.8	164.9	0	109	C633 I634 E636	K618-C633 CarbonylContact O-C 3.54Å; K618-C633 WeakPolarHBondContact O-CA 3.34Å; K618-I634 HydrophobicContact CB-CB 4.22Å; K618-I634 PolarHBondContact N-O 3.18Å; K618-I634 PolarHBondContact O-N 3.14Å; K618-E636 WeakPolarHBondContact CD-OE1 3.42Å; K618-E636 WeakPolarHBondContact CE-OE1 3.32Å; K618-E636 WeakPolarHBondContact CE-OE2 3.49Å; K618-E636 IonicContact NZ-OE1 3.35Å; K618-E636 PolarHBondContact NZ-OE1 2.53Å; K618-E636 IonicContact NZ-OE2 3.09Å; K618-E636 PolarHBondContact NZ-OE2 2.84Å
619	F	92.4	Very high	77.9	Confident	78 Å²	78	94.6 Å²	94.6	34%	0.342	52%	0.52	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	138.1	179.2	-66.1	-86.9	0	0	0	110.2	T632 C633 R652 K656	F619-T632 WeakPolarHBondContact CA-O 3.34Å; F619-C633 HydrophobicContact CD1-CB 3.94Å; F619-C633 HydrophobicContact CE1-CB 3.77Å; F619-C633 VanDerWaalsContact CE1-SG 3.54Å; F619-R652 HydrophobicContact CD1-CB 4.17Å; F619-R652 HydrophobicContact CD1-CG 4.15Å; F619-R652 HydrophobicContact CE1-CB 3.99Å; F619-R652 HydrophobicContact CE1-CG 4.46Å; F619-R652 WeakPolarHBondContact CE1-O 3.41Å; F619-K656 HydrophobicContact CE1-CB 4.24Å; F619-K656 HydrophobicContact CZ-CB 4.24Å
620	R	92.3	Very high	79.9	Confident	154 Å²	154	90.1 Å²	90.1	58%	0.581	49%	0.493	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-120.1	135.9	167.1	-61.1	179.1	178.1	-179.3	0.1	109	F631 T632	R620-F631 WeakPolarHBondContact O-CA 3.36Å; R620-T632 WeakPolarHBondContact CB-OG1 3.3Å; R620-T632 PolarHBondContact N-O 2.95Å; R620-T632 PolarHBondContact O-N 3.39Å; R620-T632 PolarHBondContact O-OG1 2.86Å
621	T	92.2	Very high	82.1	Confident	59 Å²	59	86 Å²	86	36%	0.362	47%	0.465	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	134.7	175.7	-49.5	0	0	0	0	108.4	F623 A629 T630 F631	T621-F623 HydrophobicContact CG2-CD2 4.45Å; T621-F623 HydrophobicContact CG2-CE2 3.81Å; T621-F623 HydrophobicContact CG2-CZ 3.9Å; T621-A629 HydrophobicContact CG2-CB 4.33Å; T621-T630 WeakPolarHBondContact CA-O 3.47Å; T621-F631 HydrophobicContact CG2-CD1 4.15Å; T621-F631 HydrophobicContact CG2-CE1 3.82Å; T621-F631 HydrophobicContact CG2-CZ 4.49Å
622	H	90.1	Very high	84.4	Confident	82 Å²	82	83.2 Å²	83.2	38%	0.38	43%	0.433	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	146.4	174.1	-53.1	-74.3	0	0	0	108.5	A629 T630 T632	H622-A629 CarbonylContact O-C 3.51Å; H622-A629 WeakPolarHBondContact O-CA 3.31Å; H622-T630 PolarHBondContact N-O 3.49Å; H622-T630 PolarHBondContact O-N 3.42Å; H622-T632 PolarHBondContact NE2-OG1 3.23Å
623	F	89.7	Confident	86.6	Confident	144 Å²	144	74.9 Å²	74.9	63%	0.632	40%	0.397	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-117.4	130.5	174.2	-65.5	-88.7	0	0	0	108	T621 T628 A629	T621-F623 HydrophobicContact CG2-CD2 4.45Å; T621-F623 HydrophobicContact CG2-CE2 3.81Å; T621-F623 HydrophobicContact CG2-CZ 3.9Å; F623-T628 WeakPolarHBondContact CA-O 3.44Å; F623-A629 HydrophobicContact CD1-CB 4.08Å; F623-A629 HydrophobicContact CE1-CB 3.77Å; F623-A629 HydrophobicContact CZ-CB 4.46Å
624	D	86.7	Confident	88.7	Confident	70 Å²	70	74.2 Å²	74.2	37%	0.374	39%	0.39	S	S	.	.			trans	-74.1	175.7	169.2	71	13.8	0	0	0	111	L626 G627 T628	D624-L626 PolarHBondContact O-N 3.49Å; D624-L626 VanDerWaalsContact O-N 3.12Å; D624-L626 VanDerWaalsContact OD1-C 3.31Å; D624-L626 WeakPolarHBondContact OD1-CA 3.43Å; D624-L626 WeakPolarHBondContact OD1-CB 3.44Å; D624-L626 PolarHBondContact OD1-N 3.02Å; D624-G627 PolarHBondContact O-N 3.31Å; D624-G627 PolarHBondContact OD1-N 3.2Å; D624-T628 VanDerWaalsContact CG-CB 3.49Å; D624-T628 PolarHBondContact N-O 2.92Å; D624-T628 VanDerWaalsContact N-O 3.09Å; D624-T628 WeakPolarHBondContact OD1-CB 3.5Å; D624-T628 PolarHBondContact OD1-N 3.33Å; D624-T628 PolarHBondContact OD1-OG1 3.04Å; D624-T628 WeakPolarHBondContact OD2-CB 3.44Å; D624-T628 PolarHBondContact OD2-OG1 3.13Å
625	A	84.8	Confident	90	Very high	113 Å²	113	66.4 Å²	66.4	93%	0.934	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.5	-16.8	179.3	0	0	0	0	0	113.9
626	L	85.1	Confident	90.3	Very high	158 Å²	158	67 Å²	67	83%	0.827	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.6	0.2	177.7	-64.2	169.3	0	0	0	112.3	D624	D624-L626 PolarHBondContact O-N 3.49Å; D624-L626 VanDerWaalsContact O-N 3.12Å; D624-L626 VanDerWaalsContact OD1-C 3.31Å; D624-L626 WeakPolarHBondContact OD1-CA 3.43Å; D624-L626 WeakPolarHBondContact OD1-CB 3.44Å; D624-L626 PolarHBondContact OD1-N 3.02Å
627	G	82.3	Confident	90.5	Very high	49 Å²	49	63.1 Å²	63.1	51%	0.505	34%	0.339	S	S	.	.			trans	81.4	9.4	-177.6	0	0	0	0	0	114.4	D624 A629	D624-G627 PolarHBondContact O-N 3.31Å; D624-G627 PolarHBondContact OD1-N 3.2Å; G627-A629 PolarHBondContact O-N 2.93Å
628	T	86.7	Confident	90.1	Very high	77 Å²	77	63.6 Å²	63.6	47%	0.472	35%	0.35	S	S	.	.			trans	-71.1	123.2	174.8	-40.1	0	0	0	0	109.6	F623 D624	F623-T628 WeakPolarHBondContact CA-O 3.44Å; D624-T628 VanDerWaalsContact CG-CB 3.49Å; D624-T628 PolarHBondContact N-O 2.92Å; D624-T628 VanDerWaalsContact N-O 3.09Å; D624-T628 WeakPolarHBondContact OD1-CB 3.5Å; D624-T628 PolarHBondContact OD1-N 3.33Å; D624-T628 PolarHBondContact OD1-OG1 3.04Å; D624-T628 WeakPolarHBondContact OD2-CB 3.44Å; D624-T628 PolarHBondContact OD2-OG1 3.13Å
629	A	88.8	Confident	89.5	Confident	33 Å²	33	60.4 Å²	60.4	27%	0.273	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	129	177.9	0	0	0	0	0	111.4	T621 H622 F623 G627 F631	T621-A629 HydrophobicContact CG2-CB 4.33Å; H622-A629 CarbonylContact O-C 3.51Å; H622-A629 WeakPolarHBondContact O-CA 3.31Å; F623-A629 HydrophobicContact CD1-CB 4.08Å; F623-A629 HydrophobicContact CE1-CB 3.77Å; F623-A629 HydrophobicContact CZ-CB 4.46Å; G627-A629 PolarHBondContact O-N 2.93Å; A629-F631 HydrophobicContact CB-CE2 4.45Å; A629-F631 HydrophobicContact CB-CZ 4.28Å
630	T	93.1	Very high	89	Confident	43 Å²	43	58.3 Å²	58.3	26%	0.264	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	153.8	166	61	0	0	0	0	110.1	T621 H622	T621-T630 WeakPolarHBondContact CA-O 3.47Å; H622-T630 PolarHBondContact N-O 3.49Å; H622-T630 PolarHBondContact O-N 3.42Å
631	F	93.9	Very high	88.7	Confident	38 Å²	38	60.1 Å²	60.1	17%	0.167	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	135.1	-175.3	-56.1	-86	0	0	0	109.9	R620 T621 A629 A648 M649 P650 R652 A655	R620-F631 WeakPolarHBondContact O-CA 3.36Å; T621-F631 HydrophobicContact CG2-CD1 4.15Å; T621-F631 HydrophobicContact CG2-CE1 3.82Å; T621-F631 HydrophobicContact CG2-CZ 4.49Å; A629-F631 HydrophobicContact CB-CE2 4.45Å; A629-F631 HydrophobicContact CB-CZ 4.28Å; F631-A648 CarbonylContact O-C 3.58Å; F631-A648 WeakPolarHBondContact O-CA 3.39Å; F631-M649 PolarHBondContact N-O 3.25Å; F631-M649 PolarHBondContact O-N 3.49Å; F631-P650 WeakPolarHBondContact CD2-O 3.28Å; F631-P650 WeakPolarHBondContact CE2-O 3.41Å; F631-R652 HydrophobicContact CB-CG 4.3Å; F631-R652 HydrophobicContact CD1-CG 3.6Å; F631-R652 HydrophobicContact CD2-CG 4.41Å; F631-R652 HydrophobicContact CE1-CG 3.98Å; F631-R652 HydrophobicContact CG-CG 3.83Å; F631-A655 HydrophobicContact CB-CB 3.94Å; F631-A655 WeakPolarHBondContact O-CB 3.24Å
632	T	95.3	Very high	88.4	Confident	14 Å²	14	58.8 Å²	58.8	9%	0.086	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	144	166.8	49	0	0	0	0	108.6	F619 R620 H622 A648	F619-T632 WeakPolarHBondContact CA-O 3.34Å; R620-T632 WeakPolarHBondContact CB-OG1 3.3Å; R620-T632 PolarHBondContact N-O 2.95Å; R620-T632 PolarHBondContact O-N 3.39Å; R620-T632 PolarHBondContact O-OG1 2.86Å; H622-T632 PolarHBondContact NE2-OG1 3.23Å; T632-A648 HydrophobicContact CG2-CB 3.7Å
633	C	95.7	Very high	88.5	Confident	0 Å²	0	58 Å²	58	0%	0	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	137	176.4	-171.5	0	0	0	0	109.1	K618 F619 T645 G646 A655 A659	K618-C633 CarbonylContact O-C 3.54Å; K618-C633 WeakPolarHBondContact O-CA 3.34Å; F619-C633 HydrophobicContact CD1-CB 3.94Å; F619-C633 HydrophobicContact CE1-CB 3.77Å; F619-C633 VanDerWaalsContact CE1-SG 3.54Å; C633-T645 WeakPolarHBondContact O-CA 3.4Å; C633-G646 PolarHBondContact O-N 2.99Å; C633-A655 VanDerWaalsContact CB-C 3.49Å; C633-A655 HydrophobicContact CB-CB 4.03Å; C633-A655 WeakPolarHBondContact CB-O 3.5Å; C633-A659 HydrophobicContact CB-CB 3.96Å; C633-A659 VanDerWaalsContact O-CB 3.28Å; C633-A659 WeakPolarHBondContact O-CB 3.48Å
634	I	95.9	Very high	88.7	Confident	11 Å²	11	52.8 Å²	52.8	6%	0.056	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	121.3	172.2	-47.8	178	0	0	0	106.8	Y617 K618 E636 S643 L644 T645	Y617-I634 WeakPolarHBondContact CA-O 3.44Å; K618-I634 HydrophobicContact CB-CB 4.22Å; K618-I634 PolarHBondContact N-O 3.18Å; K618-I634 PolarHBondContact O-N 3.14Å; I634-E636 HydrophobicContact CG2-CG 4.29Å; I634-S643 WeakPolarHBondContact CG2-OG 3.48Å; I634-L644 CarbonylContact C-O 3.53Å; I634-L644 VanDerWaalsContact CA-O 3.31Å; I634-L644 WeakPolarHBondContact CA-O 3.42Å; I634-T645 HydrophobicContact CG1-CG2 4.15Å
635	I	93.9	Very high	89.1	Confident	2 Å²	2	53.1 Å²	53.1	1%	0.01	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	123.4	171.7	-68.8	-178.2	0	0	0	107.9	I615 M616 Y617 I637 S643 L644 A659 A660 T663	I615-I635 HydrophobicContact CG2-CG2 3.88Å; M616-I635 WeakPolarHBondContact O-CA 3.21Å; Y617-I635 HydrophobicContact CD1-CD1 4.31Å; Y617-I635 HydrophobicContact CD1-CG1 3.74Å; Y617-I635 HydrophobicContact CE1-CD1 3.86Å; Y617-I635 HydrophobicContact CE1-CG1 3.75Å; I635-I637 HydrophobicContact CG2-CG1 4.17Å; I635-S643 WeakPolarHBondContact O-CA 3.47Å; I635-L644 PolarHBondContact N-O 3.3Å; I635-L644 PolarHBondContact O-N 3.44Å; I635-A659 HydrophobicContact CD1-CB 3.84Å; I635-A659 HydrophobicContact CG1-CB 3.8Å; I635-A660 VanDerWaalsContact CD1-CA 3.43Å; I635-A660 HydrophobicContact CD1-CB 3.82Å; I635-A660 VanDerWaalsContact CD1-N 3.28Å; I635-T663 HydrophobicContact CG2-CG2 4.46Å
636	E	91	Very high	89.5	Confident	35 Å²	35	48 Å²	48	16%	0.164	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	126.9	174.2	-72.8	175.7	-179.1	0	0	109.6	M616 K618 I634 P638 L642 S643	M616-E636 HydrophobicContact CB-CB 4.17Å; M616-E636 PolarHBondContact N-O 3.42Å; M616-E636 PolarHBondContact O-N 3Å; K618-E636 WeakPolarHBondContact CD-OE1 3.42Å; K618-E636 WeakPolarHBondContact CE-OE1 3.32Å; K618-E636 WeakPolarHBondContact CE-OE2 3.49Å; K618-E636 IonicContact NZ-OE1 3.35Å; K618-E636 PolarHBondContact NZ-OE1 2.53Å; K618-E636 IonicContact NZ-OE2 3.09Å; K618-E636 PolarHBondContact NZ-OE2 2.84Å; I634-E636 HydrophobicContact CG2-CG 4.29Å; E636-P638 WeakPolarHBondContact O-CD 3.44Å; E636-L642 WeakPolarHBondContact CA-O 3.48Å; E636-S643 WeakPolarHBondContact CG-OG 3.46Å
637	I	87.7	Confident	89.9	Confident	4 Å²	4	45.4 Å²	45.4	2%	0.021	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	90	172.8	-50.3	176.7	0	0	0	107.2	V598 F601 L605 I635 S639 I640 Q641 L642 T663	V598-I637 HydrophobicContact CG1-CD1 4.33Å; F601-I637 HydrophobicContact CD1-CD1 4.38Å; L605-I637 HydrophobicContact CD1-CG2 4.02Å; I635-I637 HydrophobicContact CG2-CG1 4.17Å; I637-S639 VanDerWaalsContact C-N 3.3Å; I637-S639 PolarHBondContact O-N 3.32Å; I637-I640 HydrophobicContact CB-CD1 4.25Å; I637-I640 HydrophobicContact CB-CG1 3.84Å; I637-I640 HydrophobicContact CD1-CD1 4.37Å; I637-I640 HydrophobicContact CG2-CD1 4.21Å; I637-I640 HydrophobicContact CG2-CG1 3.71Å; I637-I640 WeakPolarHBondContact O-CG1 3.24Å; I637-I640 PolarHBondContact O-N 3.46Å; I637-Q641 PolarHBondContact O-N 3.33Å; I637-L642 HydrophobicContact CB-CB 4.42Å; I637-L642 HydrophobicContact CD1-CD2 4.27Å; I637-L642 PolarHBondContact N-O 2.96Å; I637-L642 PolarHBondContact O-N 3.09Å; I637-T663 HydrophobicContact CD1-CG2 4.21Å
638	P	82.1	Confident	90.4	Very high	69 Å²	69	45.7 Å²	45.7	45%	0.448	27%	0.267	S	S	.	.	G	3₁₀ helix	trans	-57.7	-39.4	-170.8	-27.6	36	0	0	0	113.9	M616 E636 I640 Q641	M616-P638 HydrophobicContact CE-CG 4.01Å; E636-P638 WeakPolarHBondContact O-CD 3.44Å; P638-I640 PolarHBondContact O-N 2.99Å; P638-Q641 PolarHBondContact O-N 3.22Å
639	S	79.1	Confident	90.7	Very high	36 Å²	36	42.6 Å²	42.6	25%	0.252	25%	0.248	S	C	.	.	G	3₁₀ helix	trans	-56	-20.9	-178.9	-54.5	0	0	0	0	114.2	E607 I637	E607-S639 WeakPolarHBondContact OE2-CB 3.11Å; E607-S639 PolarHBondContact OE2-OG 2.84Å; I637-S639 VanDerWaalsContact C-N 3.3Å; I637-S639 PolarHBondContact O-N 3.32Å
640	I	83.3	Confident	90.7	Very high	34 Å²	34	45.1 Å²	45.1	17%	0.174	26%	0.261	C	S	.	.	G	3₁₀ helix	trans	-126.2	11.5	-179.8	62.6	159.2	0	0	0	112.7	F601 L605 I637 P638 L642 L667 R672	F601-I640 HydrophobicContact CE1-CD1 3.82Å; F601-I640 HydrophobicContact CZ-CD1 4.23Å; L605-I640 HydrophobicContact CD2-CG2 4.05Å; I637-I640 HydrophobicContact CB-CD1 4.25Å; I637-I640 HydrophobicContact CB-CG1 3.84Å; I637-I640 HydrophobicContact CD1-CD1 4.37Å; I637-I640 HydrophobicContact CG2-CD1 4.21Å; I637-I640 HydrophobicContact CG2-CG1 3.71Å; I637-I640 WeakPolarHBondContact O-CG1 3.24Å; I637-I640 PolarHBondContact O-N 3.46Å; P638-I640 PolarHBondContact O-N 2.99Å; I640-L642 HydrophobicContact CD1-CB 3.63Å; I640-L642 HydrophobicContact CD1-CD2 3.87Å; I640-L642 HydrophobicContact CD1-CG 4.37Å; I640-L642 HydrophobicContact CG1-CB 3.74Å; I640-L642 PolarHBondContact O-N 2.9Å; I640-L642 VanDerWaalsContact O-N 3.13Å; I640-L667 HydrophobicContact CD1-CD2 4.05Å; I640-R672 VanDerWaalsContact CD1-NH1 3.25Å
641	Q	84.5	Confident	90.5	Very high	191 Å²	191	46.1 Å²	46.1	89%	0.893	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.3	35.8	-177.6	-59.7	-178.6	-12.3	0	0	113.4	I637 P638	I637-Q641 PolarHBondContact O-N 3.33Å; P638-Q641 PolarHBondContact O-N 3.22Å
642	L	87.3	Confident	90.3	Very high	32 Å²	32	51.1 Å²	51.1	17%	0.168	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	128	178.3	-170.9	68.9	0	0	0	109.8	E636 I637 I640 L644 T663 V666 L667	E636-L642 WeakPolarHBondContact CA-O 3.48Å; I637-L642 HydrophobicContact CB-CB 4.42Å; I637-L642 HydrophobicContact CD1-CD2 4.27Å; I637-L642 PolarHBondContact N-O 2.96Å; I637-L642 PolarHBondContact O-N 3.09Å; I640-L642 HydrophobicContact CD1-CB 3.63Å; I640-L642 HydrophobicContact CD1-CD2 3.87Å; I640-L642 HydrophobicContact CD1-CG 4.37Å; I640-L642 HydrophobicContact CG1-CB 3.74Å; I640-L642 PolarHBondContact O-N 2.9Å; I640-L642 VanDerWaalsContact O-N 3.13Å; L642-L644 HydrophobicContact CD1-CD1 3.9Å; L642-L644 HydrophobicContact CD1-CG 4.03Å; L642-L644 HydrophobicContact CD2-CD1 3.96Å; L642-L644 HydrophobicContact CG-CD1 3.99Å; L642-L644 HydrophobicContact CG-CG 4.14Å; L642-T663 HydrophobicContact CD2-CG2 3.94Å; L642-V666 HydrophobicContact CD1-CG1 4.16Å; L642-L667 HydrophobicContact CD2-CD2 3.94Å; L642-L667 HydrophobicContact CD2-CG 4.29Å
643	S	92.3	Very high	90	Very high	65 Å²	65	54.5 Å²	54.5	46%	0.455	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	117	171.6	-174.2	0	0	0	0	109	I634 I635 E636	I634-S643 WeakPolarHBondContact CG2-OG 3.48Å; I635-S643 WeakPolarHBondContact O-CA 3.47Å; E636-S643 WeakPolarHBondContact CG-OG 3.46Å
644	L	93.6	Very high	89.8	Confident	34 Å²	34	55.7 Å²	55.7	18%	0.178	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	136.1	-176.1	-70.1	172.1	0	0	0	111.2	I634 I635 L642 T663 V666	I634-L644 CarbonylContact C-O 3.53Å; I634-L644 VanDerWaalsContact CA-O 3.31Å; I634-L644 WeakPolarHBondContact CA-O 3.42Å; I635-L644 PolarHBondContact N-O 3.3Å; I635-L644 PolarHBondContact O-N 3.44Å; L642-L644 HydrophobicContact CD1-CD1 3.9Å; L642-L644 HydrophobicContact CD1-CG 4.03Å; L642-L644 HydrophobicContact CD2-CD1 3.96Å; L642-L644 HydrophobicContact CG-CD1 3.99Å; L642-L644 HydrophobicContact CG-CG 4.14Å; L644-T663 HydrophobicContact CD1-CG2 4.33Å; L644-V666 HydrophobicContact CD1-CB 3.63Å; L644-V666 HydrophobicContact CD1-CG1 4.02Å; L644-V666 HydrophobicContact CD1-CG2 3.65Å; L644-V666 HydrophobicContact CD2-CG2 4.08Å
645	T	94.3	Very high	89.7	Confident	78 Å²	78	55.2 Å²	55.2	48%	0.479	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	128.1	179.6	-54.6	0	0	0	0	109.4	C633 I634	C633-T645 WeakPolarHBondContact O-CA 3.4Å; I634-T645 HydrophobicContact CG1-CG2 4.15Å
646	G	92.8	Very high	89.7	Confident	5 Å²	5	57.4 Å²	57.4	5%	0.052	32%	0.316	C	S	.	.	P	Polyproline II helix	trans	-80.6	166.4	172.6	0	0	0	0	0	113.3	C633 A659	C633-G646 PolarHBondContact O-N 2.99Å; G646-A659 VanDerWaalsContact CA-CA 3.44Å
647	L	93.9	Very high	89.9	Confident	103 Å²	103	58.4 Å²	58.4	54%	0.539	32%	0.318	S	S	.	.	P	Polyproline II helix	trans	-56.6	151.9	171.2	-65.7	170.8	0	0	0	111.8	V570 M649 A658	V570-L647 HydrophobicContact CG1-CD1 4.01Å; V570-L647 HydrophobicContact CG2-CD1 4.25Å; L647-M649 PolarHBondContact O-N 3.31Å; L647-A658 HydrophobicContact CB-CB 4.44Å
648	A	93.6	Very high	90.3	Very high	56 Å²	56	58.4 Å²	58.4	46%	0.463	32%	0.319	S	S	.	.	P	Polyproline II helix	trans	-69	129	173.9	0	0	0	0	0	110.2	F631 T632	F631-A648 CarbonylContact O-C 3.58Å; F631-A648 WeakPolarHBondContact O-CA 3.39Å; T632-A648 HydrophobicContact CG2-CB 3.7Å
649	M	92.6	Very high	90.9	Very high	12 Å²	12	55.1 Å²	55.1	6%	0.059	30%	0.297	C	S	.	.	B	Isolated β-bridge	trans	-130.4	155.6	-175.9	-62.6	-64.4	-79.1	0	0	111.8	L569 V570 L591 F631 L647 T651 L654 A655 A658	L569-M649 HydrophobicContact CB-CE 3.86Å; L569-M649 HydrophobicContact CD1-CE 3.73Å; L569-M649 HydrophobicContact CG-CE 4.43Å; V570-M649 HydrophobicContact CG2-CE 4.11Å; V570-M649 HydrophobicContact CG2-SD 4.14Å; L591-M649 HydrophobicContact CD2-CE 3.95Å; F631-M649 PolarHBondContact N-O 3.25Å; F631-M649 PolarHBondContact O-N 3.49Å; L647-M649 PolarHBondContact O-N 3.31Å; M649-T651 PolarHBondContact O-N 3.47Å; M649-L654 HydrophobicContact CB-CB 3.66Å; M649-L654 HydrophobicContact CE-CB 3.79Å; M649-L654 HydrophobicContact CE-CD1 4.29Å; M649-L654 HydrophobicContact CE-CD2 4.34Å; M649-L654 HydrophobicContact CE-CG 4.36Å; M649-L654 HydrophobicContact CG-CB 4.08Å; M649-A655 HydrophobicContact CB-CB 4.13Å; M649-A658 HydrophobicContact CG-CB 3.89Å; M649-A658 HydrophobicContact SD-CB 4.42Å
650	P	88.5	Confident	91.7	Very high	86 Å²	86	53.5 Å²	53.5	56%	0.558	29%	0.286	S	S	*	.	S	Bend	trans	-64.6	-20.6	-178.3	-23.6	34.1	0	0	0	115	F631	F631-P650 WeakPolarHBondContact CD2-O 3.28Å; F631-P650 WeakPolarHBondContact CE2-O 3.41Å
651	T	89.6	Confident	92.3	Very high	63 Å²	63	51.9 Å²	51.9	39%	0.387	28%	0.278	S	S	.	.	S	Bend	trans	-133.4	154.8	-180	74.9	0	0	0	0	111.6	M649 D653 L654 A655	M649-T651 PolarHBondContact O-N 3.47Å; T651-D653 VanDerWaalsContact C-N 3.32Å; T651-D653 PolarHBondContact O-N 2.86Å; T651-L654 HydrophobicContact CG2-CD1 4.36Å; T651-L654 PolarHBondContact O-N 2.9Å; T651-L654 WeakPolarHBondContact OG1-CB 3.43Å; T651-L654 VanDerWaalsContact OG1-CG 3.26Å; T651-L654 WeakPolarHBondContact OG1-CG 3.3Å; T651-L654 PolarHBondContact OG1-N 3.25Å; T651-A655 WeakPolarHBondContact O-CB 3.42Å; T651-A655 PolarHBondContact O-N 2.78Å
652	R	89.9	Confident	92.9	Very high	144 Å²	144	46 Å²	46	54%	0.543	25%	0.25	S	C	.	.	H	α-helix	trans	-59.9	-38.3	176.4	-70.9	-177	173.9	-178.7	-3.1	113	F619 F631 A655 K656	F619-R652 HydrophobicContact CD1-CB 4.17Å; F619-R652 HydrophobicContact CD1-CG 4.15Å; F619-R652 HydrophobicContact CE1-CB 3.99Å; F619-R652 HydrophobicContact CE1-CG 4.46Å; F619-R652 WeakPolarHBondContact CE1-O 3.41Å; F631-R652 HydrophobicContact CB-CG 4.3Å; F631-R652 HydrophobicContact CD1-CG 3.6Å; F631-R652 HydrophobicContact CD2-CG 4.41Å; F631-R652 HydrophobicContact CE1-CG 3.98Å; F631-R652 HydrophobicContact CG-CG 3.83Å; R652-A655 PolarHBondContact O-N 2.88Å; R652-K656 WeakPolarHBondContact O-CB 3.5Å; R652-K656 PolarHBondContact O-N 3.06Å
653	D	88.8	Confident	93.2	Very high	85 Å²	85	44.4 Å²	44.4	46%	0.455	24%	0.242	S	C	.	.	H	α-helix	trans	-65.8	-43.9	178.3	-172.2	67.2	0	0	0	111.4	T651 A655 K656 R657	T651-D653 VanDerWaalsContact C-N 3.32Å; T651-D653 PolarHBondContact O-N 2.86Å; D653-A655 PolarHBondContact O-N 2.84Å; D653-K656 WeakPolarHBondContact O-CB 3.19Å; D653-K656 PolarHBondContact O-N 3.13Å; D653-R657 WeakPolarHBondContact O-CG 3.23Å; D653-R657 PolarHBondContact O-N 2.87Å; D653-R657 IonicContact OD2-CZ 3.71Å; D653-R657 IonicContact OD2-NE 3.9Å; D653-R657 PolarHBondContact OD2-NE 2.79Å; D653-R657 IonicContact OD2-NH2 3.24Å
654	L	91.7	Very high	93.3	Very high	25 Å²	25	41.3 Å²	41.3	13%	0.131	22%	0.22	C	C	.	.	H	α-helix	trans	-63.8	-41.5	175.6	-70.4	174.3	0	0	0	111.6	M566 L569 L591 M649 T651 K656 R657 A658	M566-L654 HydrophobicContact CG-CD2 3.66Å; M566-L654 HydrophobicContact SD-CD2 3.95Å; L569-L654 HydrophobicContact CD1-CD1 3.91Å; L569-L654 HydrophobicContact CD1-CD2 4.03Å; L591-L654 HydrophobicContact CD2-CD2 4.03Å; M649-L654 HydrophobicContact CB-CB 3.66Å; M649-L654 HydrophobicContact CE-CB 3.79Å; M649-L654 HydrophobicContact CE-CD1 4.29Å; M649-L654 HydrophobicContact CE-CD2 4.34Å; M649-L654 HydrophobicContact CE-CG 4.36Å; M649-L654 HydrophobicContact CG-CB 4.08Å; T651-L654 HydrophobicContact CG2-CD1 4.36Å; T651-L654 PolarHBondContact O-N 2.9Å; T651-L654 WeakPolarHBondContact OG1-CB 3.43Å; T651-L654 VanDerWaalsContact OG1-CG 3.26Å; T651-L654 WeakPolarHBondContact OG1-CG 3.3Å; T651-L654 PolarHBondContact OG1-N 3.25Å; L654-K656 VanDerWaalsContact C-N 3.32Å; L654-K656 PolarHBondContact O-N 3.4Å; L654-R657 PolarHBondContact O-N 3.07Å; L654-A658 WeakPolarHBondContact O-CB 3.32Å; L654-A658 PolarHBondContact O-N 2.82Å
655	A	93	Very high	93.4	Very high	0 Å²	0	42 Å²	42	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-60.6	-42.5	176	0	0	0	0	0	111.5	F631 C633 M649 T651 R652 D653 A658 A659	F631-A655 HydrophobicContact CB-CB 3.94Å; F631-A655 WeakPolarHBondContact O-CB 3.24Å; C633-A655 VanDerWaalsContact CB-C 3.49Å; C633-A655 HydrophobicContact CB-CB 4.03Å; C633-A655 WeakPolarHBondContact CB-O 3.5Å; M649-A655 HydrophobicContact CB-CB 4.13Å; T651-A655 WeakPolarHBondContact O-CB 3.42Å; T651-A655 PolarHBondContact O-N 2.78Å; R652-A655 PolarHBondContact O-N 2.88Å; D653-A655 PolarHBondContact O-N 2.84Å; A655-A658 PolarHBondContact O-N 3.48Å; A655-A659 WeakPolarHBondContact O-CB 3.49Å; A655-A659 PolarHBondContact O-N 2.97Å
656	K	94.4	Very high	93.4	Very high	49 Å²	49	40.6 Å²	40.6	21%	0.213	21%	0.213	C	C	.	.	H	α-helix	trans	-59.5	-46.1	174.7	-176.3	-171.7	179.5	-173.2	0	111.4	Y617 F619 R652 D653 L654 A659 A660	Y617-K656 HydrophobicContact CD1-CD 4.29Å; Y617-K656 HydrophobicContact CD1-CG 3.86Å; Y617-K656 HydrophobicContact CE1-CD 4.15Å; Y617-K656 HydrophobicContact CE1-CG 3.84Å; Y617-K656 WeakPolarHBondContact OH-CE 3.36Å; F619-K656 HydrophobicContact CE1-CB 4.24Å; F619-K656 HydrophobicContact CZ-CB 4.24Å; R652-K656 WeakPolarHBondContact O-CB 3.5Å; R652-K656 PolarHBondContact O-N 3.06Å; D653-K656 WeakPolarHBondContact O-CB 3.19Å; D653-K656 PolarHBondContact O-N 3.13Å; L654-K656 VanDerWaalsContact C-N 3.32Å; L654-K656 PolarHBondContact O-N 3.4Å; K656-A659 PolarHBondContact O-N 2.82Å; K656-A660 WeakPolarHBondContact O-CB 3.37Å; K656-A660 PolarHBondContact O-N 2.73Å
657	R	94.4	Very high	93.4	Very high	56 Å²	56	40.4 Å²	40.4	21%	0.211	21%	0.211	C	C	.	.	H	α-helix	trans	-65.8	-39.9	178.5	-70.4	170.1	-177.6	-85.1	0.8	112.4	L591 S592 D653 L654 A660 L661	L591-R657 VanDerWaalsContact CD1-C 3.49Å; L591-R657 HydrophobicContact CD1-CB 3.73Å; L591-R657 HydrophobicContact CG-CB 3.81Å; L591-R657 WeakPolarHBondContact O-CB 3.48Å; S592-R657 PolarHBondContact O-NH1 3.28Å; D653-R657 WeakPolarHBondContact O-CG 3.23Å; D653-R657 PolarHBondContact O-N 2.87Å; D653-R657 IonicContact OD2-CZ 3.71Å; D653-R657 IonicContact OD2-NE 3.9Å; D653-R657 PolarHBondContact OD2-NE 2.79Å; D653-R657 IonicContact OD2-NH2 3.24Å; L654-R657 PolarHBondContact O-N 3.07Å; R657-A660 WeakPolarHBondContact O-CB 3.48Å; R657-A660 PolarHBondContact O-N 3.09Å; R657-L661 PolarHBondContact O-N 3.16Å
658	A	95.7	Very high	93.3	Very high	4 Å²	4	37.5 Å²	37.5	3%	0.033	19%	0.194	C	C	.	.	H	α-helix	trans	-64.2	-42.6	177.3	0	0	0	0	0	111	L591 L647 M649 L654 A655 A660 L661 E662	L591-A658 HydrophobicContact CD1-CB 4.03Å; L647-A658 HydrophobicContact CB-CB 4.44Å; M649-A658 HydrophobicContact CG-CB 3.89Å; M649-A658 HydrophobicContact SD-CB 4.42Å; L654-A658 WeakPolarHBondContact O-CB 3.32Å; L654-A658 PolarHBondContact O-N 2.82Å; A655-A658 PolarHBondContact O-N 3.48Å; A658-A660 VanDerWaalsContact C-N 3.33Å; A658-A660 PolarHBondContact O-N 3.1Å; A658-L661 PolarHBondContact O-N 3.1Å; A658-E662 PolarHBondContact O-N 3.49Å
659	A	96.2	Very high	93.2	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-63.5	-39.2	173	0	0	0	0	0	112.1	C633 I635 G646 A655 K656 E662 T663	C633-A659 HydrophobicContact CB-CB 3.96Å; C633-A659 VanDerWaalsContact O-CB 3.28Å; C633-A659 WeakPolarHBondContact O-CB 3.48Å; I635-A659 HydrophobicContact CD1-CB 3.84Å; I635-A659 HydrophobicContact CG1-CB 3.8Å; G646-A659 VanDerWaalsContact CA-CA 3.44Å; A655-A659 WeakPolarHBondContact O-CB 3.49Å; A655-A659 PolarHBondContact O-N 2.97Å; K656-A659 PolarHBondContact O-N 2.82Å; A659-E662 PolarHBondContact O-N 3.18Å; A659-T663 WeakPolarHBondContact O-CB 2.92Å; A659-T663 PolarHBondContact O-N 3.24Å; A659-T663 PolarHBondContact O-OG1 3.49Å
660	A	95.8	Very high	93.1	Very high	1 Å²	1	42.8 Å²	42.8	1%	0.008	22%	0.224	C	C	.	.	H	α-helix	trans	-64.8	-40.4	176	0	0	0	0	0	111.9	A594 V598 I635 K656 R657 A658 T663 C664	A594-A660 HydrophobicContact CB-CB 3.98Å; V598-A660 HydrophobicContact CG2-CB 3.9Å; V598-A660 WeakPolarHBondContact CG2-O 3.3Å; I635-A660 VanDerWaalsContact CD1-CA 3.43Å; I635-A660 HydrophobicContact CD1-CB 3.82Å; I635-A660 VanDerWaalsContact CD1-N 3.28Å; K656-A660 WeakPolarHBondContact O-CB 3.37Å; K656-A660 PolarHBondContact O-N 2.73Å; R657-A660 WeakPolarHBondContact O-CB 3.48Å; R657-A660 PolarHBondContact O-N 3.09Å; A658-A660 VanDerWaalsContact C-N 3.33Å; A658-A660 PolarHBondContact O-N 3.1Å; A660-T663 WeakPolarHBondContact O-CB 3.49Å; A660-T663 PolarHBondContact O-N 3.22Å; A660-C664 PolarHBondContact O-N 2.95Å; A660-C664 PolarHBondContact O-SG 2.94Å
661	L	95.9	Very high	93	Very high	1 Å²	1	41 Å²	41	1%	0.005	22%	0.222	C	C	.	.	H	α-helix	trans	-62	-47.1	176.9	-179.5	62.6	0	0	0	110.7	V570 I589 L591 A594 R657 A658 T663 C664 K665	V570-L661 HydrophobicContact CB-CD2 4.31Å; V570-L661 HydrophobicContact CG1-CD2 3.7Å; I589-L661 HydrophobicContact CB-CD1 4.16Å; I589-L661 HydrophobicContact CG2-CD1 3.59Å; L591-L661 HydrophobicContact CD1-CD2 4.48Å; A594-L661 HydrophobicContact CB-CB 3.87Å; A594-L661 HydrophobicContact CB-CD1 4.28Å; R657-L661 PolarHBondContact O-N 3.16Å; A658-L661 PolarHBondContact O-N 3.1Å; L661-T663 VanDerWaalsContact C-N 3.29Å; L661-T663 PolarHBondContact O-N 3.36Å; L661-C664 WeakPolarHBondContact O-CB 3.41Å; L661-C664 PolarHBondContact O-N 3.44Å; L661-K665 WeakPolarHBondContact O-CG 3.35Å; L661-K665 PolarHBondContact O-N 2.94Å; L661-K665 VanDerWaalsContact O-N 3.08Å
662	E	95.8	Very high	92.9	Very high	66 Å²	66	42.7 Å²	42.7	31%	0.308	22%	0.221	S	C	.	.	H	α-helix	trans	-63.3	-37.8	176.6	-156.9	57.9	-149.1	0	0	112	A658 A659 C664 K665 V666	A658-E662 PolarHBondContact O-N 3.49Å; A659-E662 PolarHBondContact O-N 3.18Å; E662-C664 PolarHBondContact O-N 3.07Å; E662-K665 WeakPolarHBondContact O-CB 3.39Å; E662-K665 PolarHBondContact O-N 3.43Å; E662-K665 WeakPolarHBondContact OE2-CD 3.41Å; E662-K665 WeakPolarHBondContact OE2-CE 2.94Å; E662-K665 IonicContact OE2-NZ 3.63Å; E662-K665 PolarHBondContact OE2-NZ 2.87Å; E662-V666 PolarHBondContact O-N 3.2Å; E662-V666 VanDerWaalsContact O-N 3.13Å
663	T	94.9	Very high	92.9	Very high	0 Å²	0	36 Å²	36	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-60.3	-46.4	173.4	-56.3	0	0	0	0	111.7	V598 I635 I637 L642 L644 A659 A660 L661 K665 V666 L667	V598-T663 HydrophobicContact CG1-CG2 4.33Å; V598-T663 HydrophobicContact CG2-CG2 4.11Å; I635-T663 HydrophobicContact CG2-CG2 4.46Å; I637-T663 HydrophobicContact CD1-CG2 4.21Å; L642-T663 HydrophobicContact CD2-CG2 3.94Å; L644-T663 HydrophobicContact CD1-CG2 4.33Å; A659-T663 WeakPolarHBondContact O-CB 2.92Å; A659-T663 PolarHBondContact O-N 3.24Å; A659-T663 PolarHBondContact O-OG1 3.49Å; A660-T663 WeakPolarHBondContact O-CB 3.49Å; A660-T663 PolarHBondContact O-N 3.22Å; L661-T663 VanDerWaalsContact C-N 3.29Å; L661-T663 PolarHBondContact O-N 3.36Å; T663-K665 VanDerWaalsContact C-N 3.31Å; T663-K665 PolarHBondContact O-N 2.98Å; T663-V666 PolarHBondContact O-N 3.39Å; T663-L667 HydrophobicContact CG2-CD1 3.94Å; T663-L667 HydrophobicContact CG2-CG 4.27Å; T663-L667 WeakPolarHBondContact O-CB 3.47Å; T663-L667 VanDerWaalsContact O-CG 3.26Å; T663-L667 WeakPolarHBondContact O-CG 3.19Å; T663-L667 PolarHBondContact O-N 3.17Å
664	C	94.8	Very high	92.9	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-60.5	-39.5	176.3	-70	0	0	0	0	112.6	I589 V598 A660 L661 E662 L667 H668 L673	I589-C664 HydrophobicContact CD1-CB 3.61Å; I589-C664 HydrophobicContact CG2-CB 4.41Å; V598-C664 VanDerWaalsContact CG2-SG 3.53Å; A660-C664 PolarHBondContact O-N 2.95Å; A660-C664 PolarHBondContact O-SG 2.94Å; L661-C664 WeakPolarHBondContact O-CB 3.41Å; L661-C664 PolarHBondContact O-N 3.44Å; E662-C664 PolarHBondContact O-N 3.07Å; C664-L667 PolarHBondContact O-N 3.37Å; C664-H668 PolarHBondContact O-N 2.94Å; C664-L673 HydrophobicContact CB-CD1 4.39Å; C664-L673 WeakPolarHBondContact O-CD1 2.98Å
665	K	94.9	Very high	92.7	Very high	47 Å²	47	38.5 Å²	38.5	20%	0.204	21%	0.205	C	C	.	.	H	α-helix	trans	-58.9	-51.1	176.6	-65.4	179.4	-167.5	161.6	0	111.1	Y573 L661 E662 T663 L667 H668 V669	Y573-K665 HydrophobicContact CD1-CG 4.14Å; Y573-K665 HydrophobicContact CD2-CB 4.38Å; Y573-K665 HydrophobicContact CD2-CD 4.06Å; Y573-K665 HydrophobicContact CD2-CG 3.57Å; Y573-K665 HydrophobicContact CE2-CB 4.36Å; Y573-K665 HydrophobicContact CE2-CG 4.03Å; Y573-K665 HydrophobicContact CG-CD 4.43Å; Y573-K665 HydrophobicContact CG-CG 3.61Å; L661-K665 WeakPolarHBondContact O-CG 3.35Å; L661-K665 PolarHBondContact O-N 2.94Å; L661-K665 VanDerWaalsContact O-N 3.08Å; E662-K665 WeakPolarHBondContact O-CB 3.39Å; E662-K665 PolarHBondContact O-N 3.43Å; E662-K665 WeakPolarHBondContact OE2-CD 3.41Å; E662-K665 WeakPolarHBondContact OE2-CE 2.94Å; E662-K665 IonicContact OE2-NZ 3.63Å; E662-K665 PolarHBondContact OE2-NZ 2.87Å; T663-K665 VanDerWaalsContact C-N 3.31Å; T663-K665 PolarHBondContact O-N 2.98Å; K665-L667 VanDerWaalsContact C-N 3.35Å; K665-L667 PolarHBondContact O-N 3Å; K665-H668 PolarHBondContact O-N 2.81Å; K665-V669 WeakPolarHBondContact O-CG2 3.35Å; K665-V669 PolarHBondContact O-N 3.35Å
666	V	94	Very high	92.5	Very high	49 Å²	49	39.5 Å²	39.5	30%	0.297	21%	0.21	S	C	.	.	H	α-helix	trans	-65.2	-39.1	180	176	0	0	0	0	111.4	L642 L644 E662 T663 H668 V669 S670	L642-V666 HydrophobicContact CD1-CG1 4.16Å; L644-V666 HydrophobicContact CD1-CB 3.63Å; L644-V666 HydrophobicContact CD1-CG1 4.02Å; L644-V666 HydrophobicContact CD1-CG2 3.65Å; L644-V666 HydrophobicContact CD2-CG2 4.08Å; E662-V666 PolarHBondContact O-N 3.2Å; E662-V666 VanDerWaalsContact O-N 3.13Å; T663-V666 PolarHBondContact O-N 3.39Å; V666-H668 VanDerWaalsContact C-N 3.33Å; V666-H668 PolarHBondContact O-N 3Å; V666-V669 PolarHBondContact O-N 2.9Å; V666-S670 VanDerWaalsContact O-CB 3.31Å; V666-S670 WeakPolarHBondContact O-CB 3.38Å; V666-S670 PolarHBondContact O-N 3.04Å; V666-S670 PolarHBondContact O-OG 3.18Å
667	L	92	Very high	92.3	Very high	1 Å²	1	37.2 Å²	37.2	1%	0.005	20%	0.199	C	C	.	.	H	α-helix	trans	-63.2	-37.7	175.6	-71.1	174.9	0	0	0	112.2	F601 I640 L642 T663 C664 K665 S670 R672 L673	F601-L667 HydrophobicContact CB-CD1 4.39Å; F601-L667 HydrophobicContact CD1-CD1 3.88Å; F601-L667 HydrophobicContact CD1-CD2 4.33Å; F601-L667 HydrophobicContact CD2-CD1 4.4Å; F601-L667 HydrophobicContact CE1-CD1 4.31Å; F601-L667 HydrophobicContact CE1-CD2 3.91Å; F601-L667 HydrophobicContact CE2-CD2 4.34Å; F601-L667 HydrophobicContact CG-CD1 3.94Å; F601-L667 HydrophobicContact CZ-CD2 3.92Å; I640-L667 HydrophobicContact CD1-CD2 4.05Å; L642-L667 HydrophobicContact CD2-CD2 3.94Å; L642-L667 HydrophobicContact CD2-CG 4.29Å; T663-L667 HydrophobicContact CG2-CD1 3.94Å; T663-L667 HydrophobicContact CG2-CG 4.27Å; T663-L667 WeakPolarHBondContact O-CB 3.47Å; T663-L667 VanDerWaalsContact O-CG 3.26Å; T663-L667 WeakPolarHBondContact O-CG 3.19Å; T663-L667 PolarHBondContact O-N 3.17Å; C664-L667 PolarHBondContact O-N 3.37Å; K665-L667 VanDerWaalsContact C-N 3.35Å; K665-L667 PolarHBondContact O-N 3Å; L667-S670 WeakPolarHBondContact CA-OG 3.44Å; L667-S670 PolarHBondContact O-OG 3.17Å; L667-S670 VanDerWaalsContact O-OG 3.13Å; L667-R672 HydrophobicContact CD2-CB 4.27Å; L667-R672 WeakPolarHBondContact O-CA 3.46Å; L667-R672 WeakPolarHBondContact O-CB 3.31Å; L667-R672 PolarHBondContact O-N 3.35Å; L667-L673 HydrophobicContact CB-CD1 3.95Å; L667-L673 HydrophobicContact CB-CD2 4.4Å; L667-L673 HydrophobicContact CB-CG 3.8Å; L667-L673 PolarHBondContact O-N 3.11Å
668	H	92.9	Very high	92	Very high	42 Å²	42	35.1 Å²	35.1	19%	0.194	19%	0.193	C	C	.	.	H	α-helix	trans	-70.6	-47.8	174.7	-179.3	-123.6	0	0	0	112.2	Y573 C664 K665 V666 S670 G671 L673 N674 L677	Y573-H668 HydrophobicContact CE1-CB 3.87Å; Y573-H668 AromaticContact CE1-CG 3.92Å; Y573-H668 AromaticContact CE1-ND1 3.41Å; Y573-H668 WeakPolarHBondContact CE1-ND1 2.93Å; Y573-H668 AromaticContact CZ-ND1 3.52Å; Y573-H668 PolarHBondContact OH-ND1 3.28Å; C664-H668 PolarHBondContact O-N 2.94Å; K665-H668 PolarHBondContact O-N 2.81Å; V666-H668 VanDerWaalsContact C-N 3.33Å; V666-H668 PolarHBondContact O-N 3Å; H668-S670 PolarHBondContact O-N 3.01Å; H668-G671 PolarHBondContact O-N 2.85Å; H668-L673 HydrophobicContact CB-CB 4.16Å; H668-L673 HydrophobicContact CB-CD1 4.22Å; H668-N674 PolarHBondContact CD2-O 3.16Å; H668-L677 HydrophobicContact CB-CD2 3.97Å; H668-L677 VanDerWaalsContact CG-CD2 3.45Å
669	V	92	Very high	91.4	Very high	117 Å²	117	35 Å²	35	71%	0.709	19%	0.192	S	C	*	.	H	α-helix	trans	-61.1	-32.4	179	172.5	0	0	0	0	112	K665 V666 G671	K665-V669 WeakPolarHBondContact O-CG2 3.35Å; K665-V669 PolarHBondContact O-N 3.35Å; V666-V669 PolarHBondContact O-N 2.9Å; V669-G671 PolarHBondContact O-N 3.3Å
670	S	89.3	Confident	90.4	Very high	62 Å²	62	39.7 Å²	39.7	43%	0.434	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.6	6.1	174.5	59.3	0	0	0	0	114.5	V666 L667 H668 R672	V666-S670 VanDerWaalsContact O-CB 3.31Å; V666-S670 WeakPolarHBondContact O-CB 3.38Å; V666-S670 PolarHBondContact O-N 3.04Å; V666-S670 PolarHBondContact O-OG 3.18Å; L667-S670 WeakPolarHBondContact CA-OG 3.44Å; L667-S670 PolarHBondContact O-OG 3.17Å; L667-S670 VanDerWaalsContact O-OG 3.13Å; H668-S670 PolarHBondContact O-N 3.01Å; S670-R672 VanDerWaalsContact C-N 3.3Å; S670-R672 PolarHBondContact O-N 2.7Å
671	G	87.4	Confident	88.8	Confident	50 Å²	50	40.2 Å²	40.2	52%	0.515	22%	0.218	S	C	.	.	T	Hydrogen-bonded Turn	trans	70.3	22.4	178.2	0	0	0	0	0	114.2	H668 V669 F680	H668-G671 PolarHBondContact O-N 2.85Å; V669-G671 PolarHBondContact O-N 3.3Å; G671-F680 VanDerWaalsContact O-CE2 3.31Å; G671-F680 WeakPolarHBondContact O-CE2 3.32Å
672	R	86.7	Confident	86.4	Confident	97 Å²	97	46.7 Å²	46.7	37%	0.366	26%	0.257	S	S	.	.	S	Bend	trans	-97.2	-16.9	179	-61.2	-176.9	176.6	-144.5	4.9	113.7	F601 I640 L667 S670 F680	F601-R672 HydrophobicContact CE2-CB 3.98Å; F601-R672 HydrophobicContact CZ-CB 4.44Å; I640-R672 VanDerWaalsContact CD1-NH1 3.25Å; L667-R672 HydrophobicContact CD2-CB 4.27Å; L667-R672 WeakPolarHBondContact O-CA 3.46Å; L667-R672 WeakPolarHBondContact O-CB 3.31Å; L667-R672 PolarHBondContact O-N 3.35Å; S670-R672 VanDerWaalsContact C-N 3.3Å; S670-R672 PolarHBondContact O-N 2.7Å; R672-F680 WeakPolarHBondContact O-CD2 3.28Å
673	L	89.4	Confident	84	Confident	4 Å²	4	53.9 Å²	53.9	2%	0.021	28%	0.281	C	S	.	.	B	Isolated β-bridge	trans	-105.5	145.7	162.6	-53.8	179.2	0	0	0	108.2	I597 F601 C664 L667 H668 L678 P679	I597-L673 HydrophobicContact CG2-CD1 4.27Å; I597-L673 HydrophobicContact CG2-CD2 4.47Å; F601-L673 HydrophobicContact CD2-CD2 4.23Å; C664-L673 HydrophobicContact CB-CD1 4.39Å; C664-L673 WeakPolarHBondContact O-CD1 2.98Å; L667-L673 HydrophobicContact CB-CD1 3.95Å; L667-L673 HydrophobicContact CB-CD2 4.4Å; L667-L673 HydrophobicContact CB-CG 3.8Å; L667-L673 PolarHBondContact O-N 3.11Å; H668-L673 HydrophobicContact CB-CB 4.16Å; H668-L673 HydrophobicContact CB-CD1 4.22Å; L673-L678 CarbonylContact C-O 3.56Å; L673-L678 WeakPolarHBondContact CA-O 3.39Å; L673-P679 HydrophobicContact CD2-CB 4.3Å; L673-P679 HydrophobicContact CD2-CG 3.91Å
674	N	89	Confident	81.8	Confident	26 Å²	26	57.5 Å²	57.5	14%	0.139	30%	0.301	C	S	.	.			trans	-74.3	178	174	66.9	18.3	0	0	0	111.4	H668 H676 L677 L678 F680	H668-N674 PolarHBondContact CD2-O 3.16Å; N674-H676 PolarHBondContact O-N 3.09Å; N674-H676 VanDerWaalsContact O-N 3.13Å; N674-H676 WeakPolarHBondContact OD1-CA 3.47Å; N674-H676 WeakPolarHBondContact OD1-CB 3.45Å; N674-H676 PolarHBondContact OD1-N 2.74Å; N674-L677 WeakPolarHBondContact O-CA 3.35Å; N674-L677 PolarHBondContact O-N 2.84Å; N674-L677 PolarHBondContact OD1-N 3.15Å; N674-L678 VanDerWaalsContact CG-O 3.25Å; N674-L678 PolarHBondContact N-O 3.04Å; N674-L678 PolarHBondContact OD1-N 3.43Å; N674-L678 PolarHBondContact OD1-O 3.12Å; N674-F680 HydrophobicContact CB-CD1 4.21Å; N674-F680 HydrophobicContact CB-CE1 3.7Å; N674-F680 HydrophobicContact CB-CE2 4.45Å; N674-F680 HydrophobicContact CB-CZ 3.84Å
675	E	87.7	Confident	79.1	Confident	136 Å²	136	63.9 Å²	63.9	64%	0.636	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.4	-22.2	-179.9	-56.8	-176.8	173.9	0	0	113.5	L577 L677	L577-E675 HydrophobicContact CD2-CB 3.56Å; L577-E675 HydrophobicContact CG-CB 4.26Å; E675-L677 PolarHBondContact O-N 3.35Å
676	H	89.5	Confident	76.2	Confident	22 Å²	22	70.4 Å²	70.4	10%	0.102	36%	0.363	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.7	8.3	173.6	-65.1	-74.9	0	0	0	112.9	K126 H153 F155 L577 N674 L678	K126-H676 VanDerWaalsContact CD-NE2 3.28Å; K126-H676 WeakPolarHBondContact CD-NE2 3.38Å; H153-H676 PolarHBondContact ND1-O 3.4Å; H153-H676 PolarHBondContact O-ND1 3.39Å; F155-H676 HydrophobicContact CD1-CB 4.48Å; F155-H676 AromaticContact CD1-ND1 3.61Å; F155-H676 HydrophobicContact CE1-CB 3.66Å; F155-H676 AromaticContact CE1-CG 3.52Å; F155-H676 AromaticContact CE1-ND1 3.62Å; F155-H676 HydrophobicContact CZ-CB 4.37Å; L577-H676 VanDerWaalsContact CD2-CE1 3.44Å; L577-H676 WeakPolarHBondContact CD2-CE1 3.49Å; N674-H676 PolarHBondContact O-N 3.09Å; N674-H676 VanDerWaalsContact O-N 3.13Å; N674-H676 WeakPolarHBondContact OD1-CA 3.47Å; N674-H676 WeakPolarHBondContact OD1-CB 3.45Å; N674-H676 PolarHBondContact OD1-N 2.74Å; H676-L678 VanDerWaalsContact C-N 3.26Å; H676-L678 PolarHBondContact O-N 3.4Å
677	L	91	Very high	73.1	Confident	0 Å²	0	73.8 Å²	73.8	0%	0	39%	0.386	C	S	.	.	S	Bend	trans	60.7	32.3	-178.9	-55.9	177.4	0	0	0	113.6	Y573 A575 A587 I589 H668 N674 E675	Y573-L677 HydrophobicContact CD1-CD1 4.16Å; Y573-L677 HydrophobicContact CD1-CD2 4.07Å; Y573-L677 HydrophobicContact CE1-CD2 3.72Å; A575-L677 HydrophobicContact CB-CD1 4.17Å; A575-L677 HydrophobicContact CB-CD2 3.83Å; A575-L677 HydrophobicContact CB-CG 4.01Å; A587-L677 HydrophobicContact CB-CD1 3.95Å; A587-L677 HydrophobicContact CB-CG 3.97Å; I589-L677 HydrophobicContact CD1-CB 3.74Å; I589-L677 HydrophobicContact CD1-CD1 4.11Å; I589-L677 HydrophobicContact CD1-CG 4.41Å; I589-L677 HydrophobicContact CG1-CB 3.97Å; I589-L677 HydrophobicContact CG1-CD1 3.76Å; I589-L677 HydrophobicContact CG1-CG 4.48Å; H668-L677 HydrophobicContact CB-CD2 3.97Å; H668-L677 VanDerWaalsContact CG-CD2 3.45Å; N674-L677 WeakPolarHBondContact O-CA 3.35Å; N674-L677 PolarHBondContact O-N 2.84Å; N674-L677 PolarHBondContact OD1-N 3.15Å; E675-L677 PolarHBondContact O-N 3.35Å
678	L	87.8	Confident	70.1	Confident	13 Å²	13	80.7 Å²	80.7	7%	0.068	43%	0.427	C	S	.	.			trans	-115.8	150.5	177.2	-69.1	179.1	0	0	0	112.2	F123 H153 F155 I597 L673 N674 H676 F680	F123-L678 HydrophobicContact CB-CD1 4.15Å; F123-L678 HydrophobicContact CD2-CD1 3.98Å; F123-L678 HydrophobicContact CD2-CD2 3.41Å; F123-L678 VanDerWaalsContact CD2-CD2 3.41Å; F123-L678 HydrophobicContact CD2-CG 4.36Å; F123-L678 HydrophobicContact CE2-CD2 3.24Å; F123-L678 HydrophobicContact CG-CD1 4.11Å; F123-L678 HydrophobicContact CG-CD2 4.19Å; F123-L678 HydrophobicContact CZ-CD2 3.87Å; H153-L678 WeakPolarHBondContact CE1-CD2 3.44Å; F155-L678 HydrophobicContact CE1-CD1 4.44Å; F155-L678 HydrophobicContact CE2-CD1 4.17Å; F155-L678 HydrophobicContact CZ-CD1 3.49Å; F155-L678 VanDerWaalsContact CZ-CD1 3.49Å; I597-L678 HydrophobicContact CD1-CD2 3.89Å; L673-L678 CarbonylContact C-O 3.56Å; L673-L678 WeakPolarHBondContact CA-O 3.39Å; N674-L678 VanDerWaalsContact CG-O 3.25Å; N674-L678 PolarHBondContact N-O 3.04Å; N674-L678 PolarHBondContact OD1-N 3.43Å; N674-L678 PolarHBondContact OD1-O 3.12Å; H676-L678 VanDerWaalsContact C-N 3.26Å; H676-L678 PolarHBondContact O-N 3.4Å; L678-F680 PolarHBondContact O-N 3.39Å
679	P	83.4	Confident	67	Low	2 Å²	2	87.2 Å²	87.2	1%	0.013	48%	0.478	C	S	.	.	B	Isolated β-bridge	trans	-63	134.7	172	-20.2	33.8	0	0	0	110.5	M600 F601 K604 L673 G681	M600-P679 HydrophobicContact CB-CG 4.32Å; M600-P679 HydrophobicContact CG-CG 4.05Å; M600-P679 HydrophobicContact SD-CG 4.46Å; F601-P679 VanDerWaalsContact CA-CG 3.45Å; F601-P679 HydrophobicContact CB-CB 4.27Å; F601-P679 HydrophobicContact CB-CG 3.73Å; F601-P679 HydrophobicContact CD2-CB 4.06Å; F601-P679 HydrophobicContact CD2-CG 4.33Å; K604-P679 HydrophobicContact CD-CB 4.01Å; K604-P679 PolarHBondContact NZ-O 2.92Å; L673-P679 HydrophobicContact CD2-CB 4.3Å; L673-P679 HydrophobicContact CD2-CG 3.91Å; P679-G681 PolarHBondContact O-N 3.29Å
680	F	74.6	Confident	65.8	Low	97 Å²	97	85.7 Å²	85.7	43%	0.425	47%	0.466	S	S	.	.	P	Polyproline II helix	trans	-53.2	123.7	173.6	-66.2	-83.5	0	0	0	110.3	K604 G671 R672 N674 L678 D684	K604-F680 VanDerWaalsContact CD-O 3.29Å; K604-F680 WeakPolarHBondContact CD-O 3.01Å; G671-F680 VanDerWaalsContact O-CE2 3.31Å; G671-F680 WeakPolarHBondContact O-CE2 3.32Å; R672-F680 WeakPolarHBondContact O-CD2 3.28Å; N674-F680 HydrophobicContact CB-CD1 4.21Å; N674-F680 HydrophobicContact CB-CE1 3.7Å; N674-F680 HydrophobicContact CB-CE2 4.45Å; N674-F680 HydrophobicContact CB-CZ 3.84Å; L678-F680 PolarHBondContact O-N 3.39Å; F680-D684 HydrophobicContact CD1-CB 4.04Å
681	G	61.8	Low	64.5	Low	13 Å²	13	86.9 Å²	86.9	13%	0.134	47%	0.468	C	S	.	.	P	Polyproline II helix	trans	-80.4	165.5	168.2	0	0	0	0	0	111.6	P679 R683 D684	P679-G681 PolarHBondContact O-N 3.29Å; G681-R683 PolarHBondContact O-N 2.61Å; G681-D684 PolarHBondContact N-OD2 3.37Å; G681-D684 PolarHBondContact O-N 3.32Å
682	V	45.4	Very low	63.2	Low	137 Å²	137	89 Å²	89	83%	0.83	47%	0.465	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.5	-27.4	166.3	-177.7	0	0	0	0	111.4
683	R	45.8	Very low	61.9	Low	216 Å²	216	88.5 Å²	88.5	82%	0.815	47%	0.471	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.5	-11.1	-177.4	-56.7	-178.1	-172.3	175.6	2.9	114.8	G681	G681-R683 PolarHBondContact O-N 2.61Å
684	D	48.1	Very low	60.1	Low	76 Å²	76	93.8 Å²	93.8	41%	0.406	50%	0.499	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93	-8.6	-179.2	-62.1	-38.8	0	0	0	112.8	F680 G681 K686	F680-D684 HydrophobicContact CD1-CB 4.04Å; G681-D684 PolarHBondContact N-OD2 3.37Å; G681-D684 PolarHBondContact O-N 3.32Å; D684-K686 PolarHBondContact O-N 2.66Å; D684-K686 VanDerWaalsContact O-N 3.15Å
685	L	39	Very low	58.2	Low	135 Å²	135	98.3 Å²	98.3	71%	0.707	52%	0.523	S	S	*	.	S	Bend	trans	-73.2	104.3	172.4	-72.2	162.9	0	0	0	108.3
686	K	32.6	Very low	56.1	Low	184 Å²	184	95.6 Å²	95.6	80%	0.8	52%	0.515	S	S	*	.			trans	-51.4	136.7	164.2	-76.2	-177	176.9	178.6	0	107.9	D684 V688	D684-K686 PolarHBondContact O-N 2.66Å; D684-K686 VanDerWaalsContact O-N 3.15Å; K686-V688 PolarHBondContact O-N 2.68Å
687	P	29.3	Very low	53.6	Low	120 Å²	120	101.3 Å²	101.3	78%	0.779	55%	0.547	S	S	*	.			trans	-55	120	171.6	23.2	-30.2	0	0	0	106.8	S689	P687-S689 PolarHBondContact O-N 2.94Å
688	V	28.9	Very low	50.4	Low	145 Å²	145	109.8 Å²	109.8	88%	0.879	59%	0.592	S	S	*	*			trans	-62.7	109.7	173.2	-177.8	0	0	0	0	105.1	K686	K686-V688 PolarHBondContact O-N 2.68Å
689	S	28.5	Very low	47	Very low	179 Å²	179	118.5 Å²	118.5	100%	1.252	64%	0.64	S	S	*	*			trans	-63.6	0	174.7	53.9	0	0	0	0	111.3	P687	P687-S689 PolarHBondContact O-N 2.94Å

Retrieved 689 of 689 residues in 1530.7 ms (Link to these results)

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