A0A5K4F5N4_SCHMA Loading...

GTPase Era, mitochondrial

AlphaFold DB , UniProt , Accession A0A5K4F5N4, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 584 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	31.6	Very low	29.1	Very low	241 Å²	241	149.4 Å²	149.4	100%	1.187	81%	0.809	S	S	*	*				0	134.9	0	-68.7	-174	179.9	0	0	108.7	F3	M1-F3 PolarHBondContact O-N 3.08Å
2	S	28.6	Very low	29.2	Very low	111 Å²	111	147.8 Å²	147.8	78%	0.776	81%	0.808	S	S	*	*			trans	-74.1	118.2	-174.4	55	0	0	0	0	112.2
3	F	30.1	Very low	29.4	Very low	210 Å²	210	149.2 Å²	149.2	92%	0.921	80%	0.801	S	S	*	*			trans	-111.3	77.2	150	-93.7	-86.9	0	0	0	107.5	M1	M1-F3 PolarHBondContact O-N 3.08Å
4	G	27.3	Very low	29.4	Very low	55 Å²	55	148.3 Å²	148.3	57%	0.567	80%	0.795	S	S	*	*			trans	-87	139.3	161.5	0	0	0	0	0	108.8
5	R	27.4	Very low	29.3	Very low	226 Å²	226	149.2 Å²	149.2	85%	0.853	79%	0.789	S	S	*	*			trans	72	77.7	154.3	-55.4	177.9	-179.6	173	-1.9	116.5
6	L	27.6	Very low	29.4	Very low	178 Å²	178	149.6 Å²	149.6	93%	0.932	79%	0.791	S	S	*	*			trans	-109.1	77.9	133.4	-81.3	161.8	0	0	0	107.3
7	C	28.8	Very low	29.4	Very low	105 Å²	105	153.9 Å²	153.9	71%	0.709	79%	0.794	S	S	*	*			trans	-72.8	158.8	151.6	-74.4	0	0	0	0	107.8
8	S	27.2	Very low	29.4	Very low	104 Å²	104	153.2 Å²	153.2	73%	0.727	79%	0.79	S	S	*	*	S	Bend	trans	79.3	101.7	170.5	58.3	0	0	0	0	119.4
9	F	28.5	Very low	29.4	Very low	215 Å²	215	150 Å²	150	94%	0.943	78%	0.782	S	S	*	*				48.1	83.3	129.4	-64.1	-83.2	0	0	0	118.7
10	S	31.7	Very low	29.4	Very low	90 Å²	90	150.4 Å²	150.4	63%	0.629	79%	0.785	S	S	*	*			trans	-154.6	5.8	151.5	-166.2	0	0	0	0	115.8	V12 K13	S10-V12 VanDerWaalsContact C-N 3.32Å; S10-V12 PolarHBondContact O-N 2.86Å; S10-K13 PolarHBondContact O-N 2.92Å
11	V	31.1	Very low	29.4	Very low	108 Å²	108	146.6 Å²	146.6	66%	0.655	77%	0.771	S	S	*	*	H	α-helix	trans	-74.8	-23	-177.1	-177.7	0	0	0	0	112.5	K13 L14 F15	V11-K13 PolarHBondContact O-N 3.03Å; V11-K13 VanDerWaalsContact O-N 3.16Å; V11-L14 PolarHBondContact O-N 3.05Å; V11-L14 VanDerWaalsContact O-N 3.16Å; V11-F15 HydrophobicContact CG1-CD2 4.4Å
12	V	30.2	Very low	29.3	Very low	131 Å²	131	141.4 Å²	141.4	79%	0.794	75%	0.754	S	S	*	*	H	α-helix	trans	-65.7	-18.5	176.9	-178.2	0	0	0	0	112.5	S10	S10-V12 VanDerWaalsContact C-N 3.32Å; S10-V12 PolarHBondContact O-N 2.86Å
13	K	32.3	Very low	29.4	Very low	165 Å²	165	143 Å²	143	72%	0.717	75%	0.753	S	S	*	*	H	α-helix	trans	-96.7	-14.2	173.9	-100.3	-180	177.5	174	0	115	S10 V11	S10-K13 PolarHBondContact O-N 2.92Å; V11-K13 PolarHBondContact O-N 3.03Å; V11-K13 VanDerWaalsContact O-N 3.16Å
14	L	28.7	Very low	29.2	Very low	137 Å²	137	140.7 Å²	140.7	72%	0.717	75%	0.75	S	S	*	*	H	α-helix	trans	-87.1	-21	-177	-154.3	74	0	0	0	113.4	V11 L16	V11-L14 PolarHBondContact O-N 3.05Å; V11-L14 VanDerWaalsContact O-N 3.16Å; L14-L16 VanDerWaalsContact C-N 3.3Å; L14-L16 PolarHBondContact O-N 2.79Å
15	F	29	Very low	29.3	Very low	162 Å²	162	145 Å²	145	71%	0.711	76%	0.759	S	S	*	*	G	3₁₀ helix	trans	-78.7	-8.2	-179.9	-106.8	-86.9	0	0	0	115.1	V11 R17	V11-F15 HydrophobicContact CG1-CD2 4.4Å; F15-R17 PolarHBondContact O-N 3.08Å; F15-R17 VanDerWaalsContact O-N 3.1Å
16	L	30.5	Very low	29.3	Very low	155 Å²	155	141.8 Å²	141.8	81%	0.812	76%	0.757	S	S	*	*	G	3₁₀ helix	trans	-77.1	16.1	175.6	-84.5	166.5	0	0	0	114.4	L14	L14-L16 VanDerWaalsContact C-N 3.3Å; L14-L16 PolarHBondContact O-N 2.79Å
17	R	28.7	Very low	29.1	Very low	224 Å²	224	144.7 Å²	144.7	85%	0.845	76%	0.756	S	S	*	*	G	3₁₀ helix	trans	-126.3	8.2	179.8	-139.6	173.7	-176	145.7	0.5	116.8	F15	F15-R17 PolarHBondContact O-N 3.08Å; F15-R17 VanDerWaalsContact O-N 3.1Å
18	I	30.3	Very low	29	Very low	141 Å²	141	145.4 Å²	145.4	72%	0.723	76%	0.759	S	S	*	*	S	Bend	trans	-121.2	-10.1	-178.3	-57.2	-176.6	0	0	0	115.3	N20	I18-N20 PolarHBondContact O-N 2.72Å
19	S	29.3	Very low	29.2	Very low	92 Å²	92	148.7 Å²	148.7	64%	0.643	77%	0.767	S	S	*	*			trans	-92.5	72.1	168.1	58.2	0	0	0	0	111.5	S21	S19-S21 PolarHBondContact O-N 2.81Å
20	N	28.3	Very low	29.1	Very low	157 Å²	157	141.1 Å²	141.1	84%	0.84	75%	0.75	S	S	*	*			trans	-67.5	54.9	155.5	-83.4	-20.5	0	0	0	110.4	I18	I18-N20 PolarHBondContact O-N 2.72Å
21	S	29.5	Very low	29.1	Very low	71 Å²	71	142.9 Å²	142.9	50%	0.497	76%	0.757	S	S	.	*			trans	-109.2	92.9	169.4	54.2	0	0	0	0	107.1	S19 D23	S19-S21 PolarHBondContact O-N 2.81Å; S21-D23 PolarHBondContact O-N 3.19Å
22	T	29.4	Very low	29.1	Very low	133 Å²	133	146 Å²	146	82%	0.816	77%	0.77	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62	19.3	173.6	40.2	0	0	0	0	114.4
23	D	31	Very low	29.1	Very low	144 Å²	144	143 Å²	143	77%	0.77	76%	0.76	S	S	*	*	T	Hydrogen-bonded Turn	trans	-108.5	11.3	-169.5	-76.4	-13.1	0	0	0	115	S21	S21-D23 PolarHBondContact O-N 3.19Å
24	L	26.2	Very low	29.1	Very low	162 Å²	162	139.3 Å²	139.3	85%	0.848	75%	0.751	S	S	*	*	S	Bend	trans	-115.9	11.1	176.6	-79.4	168.9	0	0	0	115.1
25	I	30.5	Very low	29.3	Very low	146 Å²	146	136.6 Å²	136.6	75%	0.749	75%	0.748	S	S	*	*	S	Bend	trans	-109.3	117.7	171.3	-65.3	174	0	0	0	107.8
26	L	26.3	Very low	29.6	Very low	157 Å²	157	137.1 Å²	137.1	82%	0.822	75%	0.753	S	S	*	*			trans	79.5	72.7	170.9	-53.4	158.8	0	0	0	116.4	P28	L26-P28 WeakPolarHBondContact O-CD 3.25Å
27	R	24.2	Very low	29.7	Very low	239 Å²	239	136.3 Å²	136.3	90%	0.902	75%	0.745	S	S	*	*			trans	-78.9	113.5	137.8	-75.5	-170.4	178.7	-176.9	0.3	107	L29	R27-L29 PolarHBondContact O-N 2.63Å
28	P	27.1	Very low	30	Very low	120 Å²	120	128.4 Å²	128.4	78%	0.779	73%	0.727	S	S	*	*			trans	-68.8	106.2	168.9	7.9	6	0	0	0	106.1	L26 G30	L26-P28 WeakPolarHBondContact O-CD 3.25Å; P28-G30 PolarHBondContact O-N 2.8Å
29	L	29.6	Very low	30.6	Very low	173 Å²	173	125.7 Å²	125.7	91%	0.906	71%	0.714	S	S	*	*			trans	-60.4	106.5	163.7	-86	151.4	0	0	0	106.4	R27	R27-L29 PolarHBondContact O-N 2.63Å
30	G	28.1	Very low	31.1	Very low	56 Å²	56	126.2 Å²	126.2	58%	0.577	72%	0.716	S	S	*	*			trans	-56.8	149.9	174.3	0	0	0	0	0	111.6	P28	P28-G30 PolarHBondContact O-N 2.8Å
31	T	31.5	Very low	31.5	Very low	128 Å²	128	125.7 Å²	125.7	79%	0.785	71%	0.709	S	S	*	*	S	Bend	trans	68.7	98.8	155.5	61.5	0	0	0	0	117.7	A33	T31-A33 PolarHBondContact O-N 3.43Å; T31-A33 VanDerWaalsContact O-N 3.11Å
32	N	31.2	Very low	32.2	Very low	172 Å²	172	127.7 Å²	127.7	92%	0.92	72%	0.723	S	S	*	*			trans	57.1	30.4	132.6	-60.6	-3.8	0	0	0	120.3
33	A	29.7	Very low	33.3	Very low	70 Å²	70	126.1 Å²	126.1	58%	0.579	71%	0.706	S	S	*	*			trans	-91.3	115.8	154.3	0	0	0	0	0	108.3	T31 A35	T31-A33 PolarHBondContact O-N 3.43Å; T31-A33 VanDerWaalsContact O-N 3.11Å; A33-A35 PolarHBondContact O-N 2.91Å
34	T	31.3	Very low	34.7	Very low	86 Å²	86	124.5 Å²	124.5	53%	0.528	70%	0.701	S	S	.	*			trans	-52.8	134.9	171.1	45.5	0	0	0	0	108.7	E36 Q37	T34-E36 PolarHBondContact O-N 2.86Å; T34-Q37 PolarHBondContact O-N 3.15Å
35	A	34.8	Very low	36.7	Very low	80 Å²	80	118.3 Å²	118.3	66%	0.661	67%	0.668	S	S	*	*	H	α-helix	trans	-53.9	-20.2	-174.9	0	0	0	0	0	113.7	A33	A33-A35 PolarHBondContact O-N 2.91Å
36	E	33.3	Very low	38.7	Very low	173 Å²	173	113 Å²	113	81%	0.808	64%	0.644	S	S	*	*	H	α-helix	trans	-68.7	-27.9	174.8	-66.9	179.1	164.3	0	0	113.7	T34	T34-E36 PolarHBondContact O-N 2.86Å
37	Q	32.5	Very low	41.2	Very low	139 Å²	139	105.6 Å²	105.6	65%	0.65	61%	0.605	S	S	*	*	H	α-helix	trans	-88.2	-17.2	178.4	-68.2	-174.8	-7.2	0	0	113.5	T34	T34-Q37 PolarHBondContact O-N 3.15Å
38	A	36.8	Very low	43.8	Very low	57 Å²	57	94.2 Å²	94.2	47%	0.471	56%	0.562	S	S	.	*	H	α-helix	trans	-74.6	-24.6	-178.3	0	0	0	0	0	113.4
39	I	42.4	Very low	46.4	Very low	85 Å²	85	89.2 Å²	89.2	44%	0.436	53%	0.529	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.4	-21.5	-174.6	-57.6	174.6	0	0	0	111.9
40	C	39	Very low	49	Very low	103 Å²	103	81.5 Å²	81.5	70%	0.696	49%	0.489	S	S	*	.	T	Hydrogen-bonded Turn	trans	-109.3	21.8	-175.8	-149.1	0	0	0	0	113.4	S42	C40-S42 PolarHBondContact O-N 2.89Å
41	Q	36.6	Very low	51.5	Low	146 Å²	146	84.2 Å²	84.2	68%	0.682	49%	0.485	S	S	*	.	S	Bend	trans	-59.1	133.5	160.5	-71.4	-172.2	-2.8	0	0	107.2	Q43	Q41-Q43 PolarHBondContact O-N 3.21Å
42	S	44.9	Very low	54	Low	113 Å²	113	87 Å²	87	79%	0.79	48%	0.481	S	S	*	.			trans	-53.9	71.3	179.5	57.4	0	0	0	0	112	C40 V44	C40-S42 PolarHBondContact O-N 2.89Å; S42-V44 PolarHBondContact O-N 3.35Å
43	Q	53.1	Low	56.3	Low	99 Å²	99	80.3 Å²	80.3	46%	0.463	44%	0.444	S	S	.	.			trans	-67	104.2	175.2	-77	-171.5	-9.3	0	0	105.1	Q41 Q45 T454	Q41-Q43 PolarHBondContact O-N 3.21Å; Q43-Q45 PolarHBondContact O-N 3.22Å; Q43-T454 HydrophobicContact CB-CG2 3.72Å; Q43-T454 HydrophobicContact CG-CG2 4.16Å
44	V	59.4	Low	58.9	Low	111 Å²	111	78.6 Å²	78.6	67%	0.673	42%	0.423	S	S	*	.			trans	-60.4	107.2	-179	178.9	0	0	0	0	106.4	S42 S46	S42-V44 PolarHBondContact O-N 3.35Å; V44-S46 PolarHBondContact O-N 2.69Å
45	Q	68.5	Low	61.3	Low	32 Å²	32	77.7 Å²	77.7	15%	0.15	41%	0.414	C	S	.	.			trans	-58.6	121.9	171.5	-78.4	-171	-39.4	0	0	108.7	Q43 W94 P453 I456	Q43-Q45 PolarHBondContact O-N 3.22Å; Q45-W94 HydrophobicContact CB-CH2 3.21Å; Q45-W94 HydrophobicContact CB-CZ2 3.98Å; Q45-W94 HydrophobicContact CB-CZ3 3.76Å; Q45-W94 HydrophobicContact CG-CH2 4.35Å; Q45-W94 WeakPolarHBondContact O-CH2 3.47Å; Q45-W94 WeakPolarHBondContact O-CZ2 3.37Å; Q45-W94 VanDerWaalsContact OE1-CZ3 3.28Å; Q45-P453 WeakPolarHBondContact CG-O 3.09Å; Q45-P453 PolarHBondContact NE2-O 2.89Å; Q45-I456 HydrophobicContact CB-CD1 4.16Å; Q45-I456 HydrophobicContact CB-CG1 4.1Å
46	S	71.5	Confident	63.3	Low	34 Å²	34	77.5 Å²	77.5	24%	0.238	40%	0.4	C	S	.	.	B	Isolated β-bridge	trans	-135.1	144.7	177.6	62.6	0	0	0	0	109.5	V44 T454 I456	V44-S46 PolarHBondContact O-N 2.69Å; S46-T454 PolarHBondContact N-O 2.88Å; S46-I456 VanDerWaalsContact C-CD1 3.41Å
47	V	78.9	Confident	65.4	Low	1 Å²	1	70.1 Å²	70.1	1%	0.006	37%	0.366	C	S	.	.			trans	-73	123.8	165.6	179.1	0	0	0	0	105.4	N49 V96 I456 T457 L464 M543 F544	V47-N49 PolarHBondContact O-N 2.92Å; V47-V96 HydrophobicContact CG2-CG1 3.96Å; V47-I456 HydrophobicContact CG2-CD1 3.87Å; V47-T457 HydrophobicContact CG1-CG2 4.37Å; V47-L464 HydrophobicContact CG1-CD1 3.3Å; V47-M543 HydrophobicContact CG1-CG 4.35Å; V47-M543 HydrophobicContact CG2-CG 4.24Å; V47-F544 HydrophobicContact CB-CD1 4.13Å; V47-F544 HydrophobicContact CB-CE1 4.49Å; V47-F544 HydrophobicContact CG1-CD1 3.93Å; V47-F544 HydrophobicContact CG1-CE1 3.79Å
48	P	80.2	Confident	67.4	Low	0 Å²	0	66.9 Å²	66.9	0%	0	35%	0.353	C	S	.	.			trans	-57.1	133.6	178.8	21.2	-29.2	0	0	0	108.4	E53 Y54 P461 F544	P48-E53 HydrophobicContact CB-CB 4.39Å; P48-E53 HydrophobicContact CB-CG 4.22Å; P48-Y54 HydrophobicContact CG-CD2 3.82Å; P48-Y54 HydrophobicContact CG-CG 4.43Å; P48-P461 HydrophobicContact CB-CG 4.16Å; P48-P461 HydrophobicContact CG-CG 4.23Å; P48-P461 WeakPolarHBondContact O-CB 3.32Å; P48-P461 WeakPolarHBondContact O-CG 3.09Å; P48-F544 VanDerWaalsContact O-CE1 3.28Å; P48-F544 WeakPolarHBondContact O-CE1 3.44Å
49	N	81.5	Confident	68.9	Low	16 Å²	16	70.7 Å²	70.7	9%	0.086	36%	0.364	C	S	.	.			trans	-105.4	-2.9	-175.7	58.4	23.9	0	0	0	112.9	V47 E53 C492 K494 V504 F544	V47-N49 PolarHBondContact O-N 2.92Å; N49-E53 PolarHBondContact OD1-OE2 3.48Å; N49-C492 PolarHBondContact O-SG 2.9Å; N49-K494 WeakPolarHBondContact ND2-CE 3.39Å; N49-K494 WeakPolarHBondContact OD1-CE 3.35Å; N49-V504 HydrophobicContact CB-CG2 3.96Å; N49-F544 HydrophobicContact CB-CB 4.16Å; N49-F544 HydrophobicContact CB-CD1 3.75Å; N49-F544 HydrophobicContact CB-CD2 4.33Å; N49-F544 HydrophobicContact CB-CE1 4.17Å; N49-F544 HydrophobicContact CB-CG 3.85Å
50	T	83.1	Confident	69.9	Low	11 Å²	11	73.2 Å²	73.2	7%	0.067	38%	0.378	C	S	.	.	S	Bend	trans	-137.1	155	173.3	62	0	0	0	0	110.1	R52 E53 Y54 K494	T50-R52 PolarHBondContact O-N 3.46Å; T50-E53 PolarHBondContact O-N 2.9Å; T50-E53 WeakPolarHBondContact OG1-CB 3.4Å; T50-E53 PolarHBondContact OG1-N 3.31Å; T50-Y54 PolarHBondContact O-N 2.98Å; T50-K494 HydrophobicContact CG2-CG 3.92Å
51	K	82.2	Confident	71.2	Confident	113 Å²	113	70.8 Å²	70.8	49%	0.491	36%	0.356	S	S	.	.	H	α-helix	trans	-61.1	-35.4	176	-174.6	171.4	-170.8	153.6	0	112.3	Y54 L55 E460	K51-Y54 PolarHBondContact O-N 3.37Å; K51-L55 HydrophobicContact CG-CD1 4.2Å; K51-L55 HydrophobicContact CG-CG 4.48Å; K51-L55 WeakPolarHBondContact O-CG 3.4Å; K51-L55 PolarHBondContact O-N 3.25Å; K51-E460 WeakPolarHBondContact CD-OE1 3.3Å; K51-E460 IonicContact NZ-OE1 3.31Å; K51-E460 IonicContact NZ-OE2 3.66Å
52	R	83.1	Confident	72.3	Confident	186 Å²	186	71.1 Å²	71.1	70%	0.702	36%	0.358	S	S	*	.	H	α-helix	trans	-61.8	-51.2	176.5	-178.1	176.9	176.1	163.2	2	111.4	T50 Y54 L55 E56	T50-R52 PolarHBondContact O-N 3.46Å; R52-Y54 VanDerWaalsContact C-N 3.31Å; R52-Y54 PolarHBondContact O-N 3.02Å; R52-L55 PolarHBondContact O-N 2.91Å; R52-E56 HydrophobicContact CG-CG 4.4Å; R52-E56 WeakPolarHBondContact CG-OE1 3.47Å; R52-E56 IonicContact CZ-OE1 2.7Å; R52-E56 IonicContact NE-OE1 3.8Å; R52-E56 PolarHBondContact NE-OE1 2.82Å; R52-E56 IonicContact NH2-OE1 3.59Å; R52-E56 WeakPolarHBondContact O-CB 3.34Å; R52-E56 WeakPolarHBondContact O-CG 3.37Å; R52-E56 PolarHBondContact O-N 3.25Å
53	E	80.1	Confident	72.9	Confident	31 Å²	31	68.2 Å²	68.2	15%	0.145	34%	0.336	C	S	.	.	H	α-helix	trans	-61.5	-39.8	178.1	-174.2	174.9	153.4	0	0	111.8	P48 N49 T50 E56 N57 K494	P48-E53 HydrophobicContact CB-CB 4.39Å; P48-E53 HydrophobicContact CB-CG 4.22Å; N49-E53 PolarHBondContact OD1-OE2 3.48Å; T50-E53 PolarHBondContact O-N 2.9Å; T50-E53 WeakPolarHBondContact OG1-CB 3.4Å; T50-E53 PolarHBondContact OG1-N 3.31Å; E53-E56 PolarHBondContact O-N 3.45Å; E53-N57 WeakPolarHBondContact O-CB 3.46Å; E53-N57 VanDerWaalsContact O-CG 3.28Å; E53-N57 PolarHBondContact O-N 3.35Å; E53-N57 PolarHBondContact O-ND2 3.33Å; E53-K494 WeakPolarHBondContact OE2-CE 3.37Å; E53-K494 IonicContact OE2-NZ 2.9Å; E53-K494 PolarHBondContact OE2-NZ 2.89Å
54	Y	83.6	Confident	73.4	Confident	34 Å²	34	69 Å²	69	13%	0.133	34%	0.343	C	S	.	.	H	α-helix	trans	-59.3	-48.5	174.2	173.7	-96.6	0	0	0	112.4	P48 T50 K51 R52 N57 L58 M455 D458 Q459 E460	P48-Y54 HydrophobicContact CG-CD2 3.82Å; P48-Y54 HydrophobicContact CG-CG 4.43Å; T50-Y54 PolarHBondContact O-N 2.98Å; K51-Y54 PolarHBondContact O-N 3.37Å; R52-Y54 VanDerWaalsContact C-N 3.31Å; R52-Y54 PolarHBondContact O-N 3.02Å; Y54-N57 PolarHBondContact O-N 2.93Å; Y54-L58 HydrophobicContact CD1-CD1 4.02Å; Y54-L58 HydrophobicContact CE1-CD1 3.37Å; Y54-L58 HydrophobicContact CE1-CG 4.46Å; Y54-L58 HydrophobicContact CE2-CD1 4.09Å; Y54-L58 VanDerWaalsContact CZ-CD1 3.4Å; Y54-L58 PolarHBondContact O-N 3.48Å; Y54-M455 HydrophobicContact CD2-CE 3.66Å; Y54-M455 HydrophobicContact CE2-CE 3.29Å; Y54-D458 WeakPolarHBondContact CE2-O 3.34Å; Y54-D458 PolarHBondContact OH-O 3.22Å; Y54-Q459 WeakPolarHBondContact CE2-O 3.3Å; Y54-E460 HydrophobicContact CD1-CG 4.49Å; Y54-E460 HydrophobicContact CE1-CB 4.45Å
55	L	80.9	Confident	73.8	Confident	67 Å²	67	65.1 Å²	65.1	35%	0.351	32%	0.321	S	S	.	.	H	α-helix	trans	-68.2	-39.1	178.5	-69.7	174.5	0	0	0	112.2	K51 R52 L58 L59	K51-L55 HydrophobicContact CG-CD1 4.2Å; K51-L55 HydrophobicContact CG-CG 4.48Å; K51-L55 WeakPolarHBondContact O-CG 3.4Å; K51-L55 PolarHBondContact O-N 3.25Å; R52-L55 PolarHBondContact O-N 2.91Å; L55-L58 PolarHBondContact O-N 2.89Å; L55-L59 VanDerWaalsContact O-CB 3.28Å; L55-L59 WeakPolarHBondContact O-CB 3.24Å; L55-L59 VanDerWaalsContact O-CG 3.26Å; L55-L59 WeakPolarHBondContact O-CG 3.47Å; L55-L59 PolarHBondContact O-N 3.38Å
56	E	78.7	Confident	74.2	Confident	76 Å²	76	64.8 Å²	64.8	36%	0.355	32%	0.322	S	S	.	.	H	α-helix	trans	-60.3	-45.8	175	-76.8	172.8	-177.6	0	0	110.7	R52 E53 L58 L59 L60	R52-E56 HydrophobicContact CG-CG 4.4Å; R52-E56 WeakPolarHBondContact CG-OE1 3.47Å; R52-E56 IonicContact CZ-OE1 2.7Å; R52-E56 IonicContact NE-OE1 3.8Å; R52-E56 PolarHBondContact NE-OE1 2.82Å; R52-E56 IonicContact NH2-OE1 3.59Å; R52-E56 WeakPolarHBondContact O-CB 3.34Å; R52-E56 WeakPolarHBondContact O-CG 3.37Å; R52-E56 PolarHBondContact O-N 3.25Å; E53-E56 PolarHBondContact O-N 3.45Å; E56-L58 PolarHBondContact O-N 3.3Å; E56-L59 PolarHBondContact O-N 3.03Å; E56-L60 HydrophobicContact CB-CD1 4.13Å; E56-L60 HydrophobicContact CG-CD1 4.25Å; E56-L60 WeakPolarHBondContact O-CB 3.42Å; E56-L60 WeakPolarHBondContact O-CG 3.27Å; E56-L60 PolarHBondContact O-N 3.45Å
57	N	76.9	Confident	74.5	Confident	19 Å²	19	69 Å²	69	10%	0.102	35%	0.349	C	S	.	.	H	α-helix	trans	-62.8	-41.2	176.3	-72.9	-20.1	0	0	0	112.4	E53 Y54 Q61	E53-N57 WeakPolarHBondContact O-CB 3.46Å; E53-N57 VanDerWaalsContact O-CG 3.28Å; E53-N57 PolarHBondContact O-N 3.35Å; E53-N57 PolarHBondContact O-ND2 3.33Å; Y54-N57 PolarHBondContact O-N 2.93Å; N57-Q61 WeakPolarHBondContact O-CB 3.46Å; N57-Q61 PolarHBondContact O-N 2.97Å; N57-Q61 PolarHBondContact OD1-NE2 2.96Å
58	L	73.6	Confident	74.9	Confident	71 Å²	71	72.9 Å²	72.9	37%	0.372	37%	0.37	S	S	.	.	H	α-helix	trans	-70.3	-38	178.2	-78.4	179.1	0	0	0	114	Y54 L55 E56 M455	Y54-L58 HydrophobicContact CD1-CD1 4.02Å; Y54-L58 HydrophobicContact CE1-CD1 3.37Å; Y54-L58 HydrophobicContact CE1-CG 4.46Å; Y54-L58 HydrophobicContact CE2-CD1 4.09Å; Y54-L58 VanDerWaalsContact CZ-CD1 3.4Å; Y54-L58 PolarHBondContact O-N 3.48Å; L55-L58 PolarHBondContact O-N 2.89Å; E56-L58 PolarHBondContact O-N 3.3Å; L58-M455 HydrophobicContact CD1-CE 4.45Å; L58-M455 HydrophobicContact CD2-CE 3.72Å; L58-M455 HydrophobicContact CD2-SD 3.71Å; L58-M455 HydrophobicContact CG-CE 3.92Å; L58-M455 HydrophobicContact CG-SD 4.12Å
59	L	69.7	Low	75.4	Confident	137 Å²	137	73 Å²	73	72%	0.717	37%	0.37	S	S	*	.	H	α-helix	trans	-88.7	-38.7	-173	-67.6	173.9	0	0	0	112.9	L55 E56	L55-L59 VanDerWaalsContact O-CB 3.28Å; L55-L59 WeakPolarHBondContact O-CB 3.24Å; L55-L59 VanDerWaalsContact O-CG 3.26Å; L55-L59 WeakPolarHBondContact O-CG 3.47Å; L55-L59 PolarHBondContact O-N 3.38Å; E56-L59 PolarHBondContact O-N 3.03Å
60	L	63.6	Low	76	Confident	137 Å²	137	76.1 Å²	76.1	72%	0.717	38%	0.381	S	S	*	.	H	α-helix	trans	-92.2	-28.7	-171.6	-58.3	175.9	0	0	0	112.5	E56 Q62	E56-L60 HydrophobicContact CB-CD1 4.13Å; E56-L60 HydrophobicContact CG-CD1 4.25Å; E56-L60 WeakPolarHBondContact O-CB 3.42Å; E56-L60 WeakPolarHBondContact O-CG 3.27Å; E56-L60 PolarHBondContact O-N 3.45Å; L60-Q62 PolarHBondContact O-N 3.06Å
61	Q	64.4	Low	76.6	Confident	52 Å²	52	75.8 Å²	75.8	24%	0.243	38%	0.379	C	S	.	.			trans	-97.8	94.2	177.7	-52	-173.7	12.9	0	0	108.3	N57 P452 T454	N57-Q61 WeakPolarHBondContact O-CB 3.46Å; N57-Q61 PolarHBondContact O-N 2.97Å; N57-Q61 PolarHBondContact OD1-NE2 2.96Å; Q61-P452 HydrophobicContact CB-CB 3.76Å; Q61-P452 HydrophobicContact CB-CG 3.84Å; Q61-P452 VanDerWaalsContact O-CG 3.23Å; Q61-P452 WeakPolarHBondContact O-CG 3.49Å; Q61-T454 PolarHBondContact NE2-OG1 3.16Å; Q61-T454 PolarHBondContact OE1-OG1 3.02Å
62	Q	60.7	Low	77.3	Confident	154 Å²	154	70.6 Å²	70.6	72%	0.72	36%	0.356	S	S	*	.			trans	-58.5	143	157.4	-69.7	-172.8	-1.1	0	0	107.4	L60 L64	L60-Q62 PolarHBondContact O-N 3.06Å; Q62-L64 PolarHBondContact O-N 3.42Å
63	P	58	Low	78	Confident	51 Å²	51	63.8 Å²	63.8	33%	0.331	33%	0.332	S	S	.	.			trans	-64.8	71	169.6	24.4	-30.3	0	0	0	109.3	S65 W449	P63-S65 VanDerWaalsContact C-N 3.32Å; P63-S65 PolarHBondContact O-N 3.27Å; P63-S65 PolarHBondContact O-OG 3.09Å; P63-W449 HydrophobicContact CB-CB 3.71Å; P63-W449 WeakPolarHBondContact CB-O 3.48Å
64	L	63.4	Low	78.9	Confident	115 Å²	115	62.3 Å²	62.3	60%	0.602	33%	0.325	S	S	*	.			trans	-70.9	98.1	179.2	-152.8	80.9	0	0	0	105.9	Q62	Q62-L64 PolarHBondContact O-N 3.42Å
65	S	67.5	Low	79.5	Confident	30 Å²	30	60.7 Å²	60.7	21%	0.21	32%	0.318	C	S	.	.			trans	-86.4	137.2	-174.3	-33.2	0	0	0	0	107.4	P63 S448 W449	P63-S65 VanDerWaalsContact C-N 3.32Å; P63-S65 PolarHBondContact O-N 3.27Å; P63-S65 PolarHBondContact O-OG 3.09Å; S65-S448 WeakPolarHBondContact OG-CA 3.47Å; S65-W449 VanDerWaalsContact CA-CD1 3.45Å; S65-W449 PolarHBondContact OG-N 3.17Å
66	S	76	Confident	80.3	Confident	26 Å²	26	57.5 Å²	57.5	18%	0.182	30%	0.302	C	S	.	.			trans	-60.4	150.3	167	61.4	0	0	0	0	108.7	D68 A69	S66-D68 WeakPolarHBondContact CB-OD1 3.39Å; S66-D68 PolarHBondContact O-N 3.47Å; S66-D68 VanDerWaalsContact O-N 3.11Å; S66-D68 PolarHBondContact OG-OD1 3.41Å; S66-A69 WeakPolarHBondContact O-CB 3.47Å; S66-A69 PolarHBondContact O-N 2.94Å
67	P	78.4	Confident	81	Confident	122 Å²	122	53.9 Å²	53.9	79%	0.792	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.3	-22.8	-178.3	21.7	-32.1	0	0	0	113.2
68	D	87.1	Confident	81.8	Confident	83 Å²	83	53 Å²	53	44%	0.444	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.2	10.4	175.5	69.7	-30.4	0	0	0	113.9	S66 R70 N118	S66-D68 WeakPolarHBondContact CB-OD1 3.39Å; S66-D68 PolarHBondContact O-N 3.47Å; S66-D68 VanDerWaalsContact O-N 3.11Å; S66-D68 PolarHBondContact OG-OD1 3.41Å; D68-R70 PolarHBondContact O-N 3.03Å; D68-N118 PolarHBondContact O-ND2 2.95Å; D68-N118 PolarHBondContact OD2-ND2 3.34Å
69	A	90.7	Very high	82.6	Confident	1 Å²	1	50.8 Å²	50.8	1%	0.008	27%	0.271	C	S	.	.			trans	-58.9	134.4	-179.8	0	0	0	0	0	112.4	S66 P445 T446 R447 W449	S66-A69 WeakPolarHBondContact O-CB 3.47Å; S66-A69 PolarHBondContact O-N 2.94Å; A69-P445 CarbonylContact O-C 3.56Å; A69-T446 PolarHBondContact O-N 3.18Å; A69-R447 WeakPolarHBondContact CB-O 3.31Å; A69-R447 PolarHBondContact O-N 2.75Å; A69-W449 HydrophobicContact CB-CD2 4.24Å; A69-W449 HydrophobicContact CB-CE3 4.46Å; A69-W449 HydrophobicContact CB-CH2 3.68Å; A69-W449 HydrophobicContact CB-CZ2 3.45Å; A69-W449 VanDerWaalsContact CB-CZ2 3.45Å; A69-W449 HydrophobicContact CB-CZ3 4.16Å
70	R	95	Very high	83.5	Confident	82 Å²	82	45.9 Å²	45.9	31%	0.309	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	125.2	178.5	-67.9	179.4	-70.7	168.4	-1.5	111.4	D68 N118 V119 Q120 A443 I444 P445 W449	D68-R70 PolarHBondContact O-N 3.03Å; R70-N118 PolarHBondContact N-O 2.86Å; R70-N118 PolarHBondContact NE-OD1 3.08Å; R70-N118 PolarHBondContact NH2-OD1 3.07Å; R70-V119 HydrophobicContact CB-CG2 4.18Å; R70-V119 VanDerWaalsContact NH2-CG2 3.3Å; R70-V119 CarbonylContact O-C 3.58Å; R70-V119 VanDerWaalsContact O-CA 3.29Å; R70-V119 WeakPolarHBondContact O-CA 3.36Å; R70-Q120 PolarHBondContact O-N 2.88Å; R70-A443 HydrophobicContact CB-CB 3.71Å; R70-I444 CarbonylContact C-O 3.55Å; R70-I444 WeakPolarHBondContact CA-O 3.39Å; R70-P445 HydrophobicContact CG-CB 4.01Å; R70-W449 VanDerWaalsContact O-CZ3 3.22Å; R70-W449 WeakPolarHBondContact O-CZ3 3.34Å
71	V	95.5	Very high	84.8	Confident	4 Å²	4	42.6 Å²	42.6	2%	0.024	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	137.6	-176.6	-179.3	0	0	0	0	111.2	Q120 I444 R447 W449 I450	V71-Q120 WeakPolarHBondContact CA-O 3.49Å; V71-I444 PolarHBondContact N-O 2.93Å; V71-I444 PolarHBondContact O-N 3.34Å; V71-R447 HydrophobicContact CB-CB 3.86Å; V71-R447 HydrophobicContact CG2-CB 3.91Å; V71-W449 HydrophobicContact CG2-CE3 3.44Å; V71-W449 VanDerWaalsContact CG2-CE3 3.44Å; V71-W449 HydrophobicContact CG2-CZ3 3.52Å; V71-I450 HydrophobicContact CG1-CD1 3.55Å; V71-I450 HydrophobicContact CG1-CG1 3.93Å
72	L	97.6	Very high	86.2	Confident	5 Å²	5	40.2 Å²	40.2	3%	0.026	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	125.3	165.9	-170.1	69.2	0	0	0	110.4	V74 Q120 L121 A122 D156 L157 L439 K442 A443	L72-V74 HydrophobicContact CD2-CG2 3.6Å; L72-V74 HydrophobicContact CG-CG2 3.77Å; L72-Q120 PolarHBondContact N-O 2.88Å; L72-L121 HydrophobicContact CB-CD2 3.73Å; L72-L121 HydrophobicContact CD2-CD2 4.25Å; L72-L121 CarbonylContact O-C 3.59Å; L72-L121 WeakPolarHBondContact O-CA 3.41Å; L72-A122 PolarHBondContact O-N 3.18Å; L72-D156 HydrophobicContact CD1-CB 3.78Å; L72-L157 HydrophobicContact CD1-CB 4.41Å; L72-L439 HydrophobicContact CD2-CB 4.13Å; L72-L439 HydrophobicContact CD2-CD2 3.95Å; L72-L439 WeakPolarHBondContact CD2-O 3.18Å; L72-K442 HydrophobicContact CD1-CB 4.37Å; L72-K442 HydrophobicContact CD2-CB 3.95Å; L72-A443 HydrophobicContact CB-CB 4.25Å
73	K	97.3	Very high	87.8	Confident	42 Å²	42	33.4 Å²	33.4	18%	0.183	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101	121.1	170.6	-169.9	164.2	166	-171.7	0	110.6	A122 V124 D154 D156 L157 I450	K73-A122 CarbonylContact C-O 3.59Å; K73-A122 WeakPolarHBondContact CA-O 3.29Å; K73-A122 HydrophobicContact CG-CB 4.35Å; K73-V124 HydrophobicContact CG-CG2 4.15Å; K73-D154 VanDerWaalsContact CD-O 3.27Å; K73-D154 WeakPolarHBondContact CD-O 3.5Å; K73-D154 WeakPolarHBondContact CE-O 3.02Å; K73-D154 VanDerWaalsContact NZ-CB 3.27Å; K73-D154 PolarHBondContact NZ-O 3.36Å; K73-D156 PolarHBondContact N-OD2 3.04Å; K73-D156 PolarHBondContact O-N 2.99Å; K73-L157 PolarHBondContact O-N 2.86Å; K73-I450 HydrophobicContact CB-CD1 4.17Å; K73-I450 HydrophobicContact CD-CD1 4.08Å; K73-I450 HydrophobicContact CG-CD1 4.39Å
74	V	98.1	Very high	89.5	Confident	0 Å²	0	31.5 Å²	31.5	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	116.8	-171.7	-176.5	0	0	0	0	110	L72 V76 A122 F123 V124 L157 L159 L439	L72-V74 HydrophobicContact CD2-CG2 3.6Å; L72-V74 HydrophobicContact CG-CG2 3.77Å; V74-V76 HydrophobicContact CG1-CG2 4.42Å; V74-A122 PolarHBondContact N-O 3.15Å; V74-F123 HydrophobicContact CB-CD1 4.04Å; V74-F123 HydrophobicContact CB-CE1 4.34Å; V74-F123 HydrophobicContact CG1-CD1 4.32Å; V74-F123 HydrophobicContact CG2-CE1 4.39Å; V74-V124 PolarHBondContact O-N 3.45Å; V74-L157 WeakPolarHBondContact CA-O 3.46Å; V74-L157 HydrophobicContact CG1-CD2 3.95Å; V74-L159 HydrophobicContact CG1-CB 3.62Å; V74-L159 HydrophobicContact CG1-CD2 4.27Å; V74-L439 HydrophobicContact CG2-CD2 4.24Å
75	A	96.6	Very high	91.1	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	119.7	171.1	0	0	0	0	0	110.2	L126 I152 S155 L157 L159	A75-L126 HydrophobicContact CB-CD1 4.28Å; A75-I152 HydrophobicContact CB-CB 4.5Å; A75-I152 HydrophobicContact CB-CG1 3.99Å; A75-S155 WeakPolarHBondContact CB-OG 3.39Å; A75-L157 PolarHBondContact N-O 3.07Å; A75-L159 PolarHBondContact O-N 2.8Å
76	V	97	Very high	92.4	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	111	-179.5	-172.4	0	0	0	0	109.5	V74 K84 V88 F123 V124 L159 V161	V74-V76 HydrophobicContact CG1-CG2 4.42Å; V76-K84 HydrophobicContact CG1-CB 3.84Å; V76-K84 HydrophobicContact CG1-CD 4.35Å; V76-K84 HydrophobicContact CG1-CG 3.96Å; V76-V88 HydrophobicContact CB-CG2 4.28Å; V76-V88 HydrophobicContact CG1-CG2 4.37Å; V76-V88 HydrophobicContact CG2-CG2 3.81Å; V76-F123 HydrophobicContact CG2-CD1 4.36Å; V76-V124 PolarHBondContact N-O 3.31Å; V76-L159 HydrophobicContact CG2-CB 4.47Å; V76-L159 HydrophobicContact CG2-CD2 4.3Å; V76-V161 HydrophobicContact CG1-CG2 3.63Å
77	I	94.1	Very high	93.4	Very high	1 Å²	1	25.5 Å²	25.5	1%	0.005	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	158.9	-175.8	66.7	167.8	0	0	0	112.5	L126 L129 I152 I158 L159 V160 V161 I177 A180	I77-L126 HydrophobicContact CG2-CD1 3.67Å; I77-L129 HydrophobicContact CB-CD1 4.35Å; I77-I152 HydrophobicContact CD1-CD1 4.45Å; I77-I152 HydrophobicContact CG2-CD1 3.98Å; I77-I152 HydrophobicContact CG2-CG1 4.04Å; I77-I158 HydrophobicContact CD1-CG2 3.46Å; I77-I158 VanDerWaalsContact CD1-CG2 3.46Å; I77-I158 HydrophobicContact CG1-CG2 3.74Å; I77-L159 PolarHBondContact N-O 2.92Å; I77-V160 HydrophobicContact CD1-CG2 4.02Å; I77-V160 HydrophobicContact CG1-CB 4.49Å; I77-V160 HydrophobicContact CG1-CG2 3.95Å; I77-V161 PolarHBondContact O-N 3Å; I77-I177 HydrophobicContact CD1-CG2 4.42Å; I77-A180 HydrophobicContact CD1-CB 4.41Å
78	G	93.1	Very high	94.3	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	11%	0.107	C	C	.	.			trans	152.8	165.2	-177.8	0	0	0	0	0	112.8	K84 G128 L129	G78-K84 PolarHBondContact O-NZ 3.47Å; G78-G128 WeakPolarHBondContact O-CA 3.38Å; G78-L129 PolarHBondContact O-N 3.01Å
79	C	91.7	Very high	94.7	Very high	25 Å²	25	16.5 Å²	16.5	17%	0.169	9%	0.09	C	C	.	.	S	Bend	trans	-57.7	158.3	179.8	-63.5	0	0	0	0	112.4	N81 S82 K84 H174	C79-N81 PolarHBondContact O-N 3.45Å; C79-S82 WeakPolarHBondContact O-CB 3.4Å; C79-S82 PolarHBondContact O-N 2.95Å; C79-S82 PolarHBondContact O-OG 2.89Å; C79-K84 PolarHBondContact O-NZ 3.05Å; C79-H174 WeakPolarHBondContact SG-CB 3.43Å; C79-H174 VanDerWaalsContact SG-CG 3.58Å
80	P	87.8	Confident	95	Very high	34 Å²	34	19.6 Å²	19.6	22%	0.221	11%	0.105	C	C	.	.	T	Hydrogen-bonded Turn	trans	-50	142	167.1	-25	33.7	0	0	0	111.3	S82 A103 V130	P80-S82 PolarHBondContact O-N 2.91Å; P80-A103 HydrophobicContact CB-CB 3.88Å; P80-V130 HydrophobicContact CG-CG1 3.46Å; P80-V130 VanDerWaalsContact CG-CG1 3.46Å
81	N	90.5	Very high	95.1	Very high	67 Å²	67	15.7 Å²	15.7	36%	0.358	9%	0.09	S	C	.	.	T	Hydrogen-bonded Turn	trans	62.9	11.2	-178.3	-58.8	-20.8	0	0	0	116.6	C79 G83 K102 A103 K195	C79-N81 PolarHBondContact O-N 3.45Å; N81-G83 PolarHBondContact O-N 3.28Å; N81-K102 PolarHBondContact OD1-O 3.06Å; N81-A103 PolarHBondContact ND2-N 3.29Å; N81-A103 VanDerWaalsContact OD1-CA 3.29Å; N81-A103 WeakPolarHBondContact OD1-CA 3.46Å; N81-A103 PolarHBondContact OD1-N 3.39Å; N81-K195 WeakPolarHBondContact O-CE 3.28Å; N81-K195 PolarHBondContact O-NZ 3.2Å
82	S	93.4	Very high	95	Very high	2 Å²	2	15.5 Å²	15.5	1%	0.014	9%	0.089	C	C	.	.	S	Bend	trans	-67.3	-13.2	173.4	67.5	0	0	0	0	114.3	C79 P80 K84 V161 N194	C79-S82 WeakPolarHBondContact O-CB 3.4Å; C79-S82 PolarHBondContact O-N 2.95Å; C79-S82 PolarHBondContact O-OG 2.89Å; P80-S82 PolarHBondContact O-N 2.91Å; S82-K84 WeakPolarHBondContact OG-CG 3.03Å; S82-V161 VanDerWaalsContact CB-O 3.24Å; S82-V161 WeakPolarHBondContact CB-O 3.45Å; S82-V161 WeakPolarHBondContact O-CG1 3.39Å; S82-V161 PolarHBondContact OG-O 3.28Å; S82-N194 PolarHBondContact O-ND2 3.29Å
83	G	94.3	Very high	94.7	Very high	12 Å²	12	20.8 Å²	20.8	12%	0.124	11%	0.112	C	C	.	.	S	Bend	trans	92.2	26.3	179.1	0	0	0	0	0	114.3	N81 S86 L87	N81-G83 PolarHBondContact O-N 3.28Å; G83-S86 PolarHBondContact O-N 3.46Å; G83-L87 VanDerWaalsContact O-CB 3.29Å; G83-L87 WeakPolarHBondContact O-CB 3.44Å; G83-L87 PolarHBondContact O-N 3.39Å
84	K	95.4	Very high	94.4	Very high	11 Å²	11	19.8 Å²	19.8	5%	0.048	11%	0.107	C	C	.	.	H	α-helix	trans	-55.5	-58.4	176.8	-61.8	-177.2	-66	-66.2	0	113	V76 G78 C79 S82 S86 L87 V88 D125 L126 V161	V76-K84 HydrophobicContact CG1-CB 3.84Å; V76-K84 HydrophobicContact CG1-CD 4.35Å; V76-K84 HydrophobicContact CG1-CG 3.96Å; G78-K84 PolarHBondContact O-NZ 3.47Å; C79-K84 PolarHBondContact O-NZ 3.05Å; S82-K84 WeakPolarHBondContact OG-CG 3.03Å; K84-S86 VanDerWaalsContact C-N 3.28Å; K84-S86 PolarHBondContact O-N 2.88Å; K84-L87 CarbonylContact O-C 3.12Å; K84-L87 WeakPolarHBondContact O-CA 3.42Å; K84-L87 VanDerWaalsContact O-CB 3.31Å; K84-L87 WeakPolarHBondContact O-CB 3.46Å; K84-L87 PolarHBondContact O-N 3.2Å; K84-V88 WeakPolarHBondContact O-CG2 3.34Å; K84-V88 PolarHBondContact O-N 3Å; K84-D125 WeakPolarHBondContact CB-OD1 3.36Å; K84-L126 WeakPolarHBondContact CE-O 3.21Å; K84-V161 HydrophobicContact CG-CB 4.08Å; K84-V161 HydrophobicContact CG-CG2 4.19Å
85	S	95.4	Very high	94	Very high	13 Å²	13	23.5 Å²	23.5	9%	0.091	12%	0.123	C	C	.	.	H	α-helix	trans	-59.7	-38.7	179.7	-44.6	0	0	0	0	112.3	V88 N89 T106 D125	S85-V88 PolarHBondContact O-N 3.45Å; S85-N89 VanDerWaalsContact O-CG 3.23Å; S85-N89 PolarHBondContact O-N 3.34Å; S85-N89 PolarHBondContact O-ND2 2.93Å; S85-T106 PolarHBondContact OG-OG1 3.34Å; S85-D125 WeakPolarHBondContact CA-OD2 3.32Å; S85-D125 VanDerWaalsContact CB-OD2 3.27Å; S85-D125 WeakPolarHBondContact CB-OD2 3.34Å; S85-D125 PolarHBondContact OG-OD2 2.95Å
86	S	95.7	Very high	93.7	Very high	32 Å²	32	23.8 Å²	23.8	22%	0.224	13%	0.125	C	C	.	.	H	α-helix	trans	-64.2	-42.8	173.2	-50.2	0	0	0	0	111.7	G83 K84 N89 M90 V99	G83-S86 PolarHBondContact O-N 3.46Å; K84-S86 VanDerWaalsContact C-N 3.28Å; K84-S86 PolarHBondContact O-N 2.88Å; S86-N89 PolarHBondContact O-N 3.43Å; S86-M90 VanDerWaalsContact O-CG 3.29Å; S86-M90 WeakPolarHBondContact O-CG 3.49Å; S86-M90 PolarHBondContact O-N 2.73Å; S86-M90 VanDerWaalsContact O-N 3.11Å; S86-V99 WeakPolarHBondContact OG-CG1 3.23Å
87	L	97.7	Very high	93.5	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-63.1	-45.9	177	-179.1	65.2	0	0	0	111.4	G83 K84 N89 M90 L91 L159 V161 V192 V424 S426 I432 L435	G83-L87 VanDerWaalsContact O-CB 3.29Å; G83-L87 WeakPolarHBondContact O-CB 3.44Å; G83-L87 PolarHBondContact O-N 3.39Å; K84-L87 CarbonylContact O-C 3.12Å; K84-L87 WeakPolarHBondContact O-CA 3.42Å; K84-L87 VanDerWaalsContact O-CB 3.31Å; K84-L87 WeakPolarHBondContact O-CB 3.46Å; K84-L87 PolarHBondContact O-N 3.2Å; L87-N89 VanDerWaalsContact C-N 3.34Å; L87-N89 PolarHBondContact O-N 3.38Å; L87-M90 PolarHBondContact O-N 3.45Å; L87-M90 VanDerWaalsContact O-N 3.17Å; L87-L91 HydrophobicContact CD1-CD1 4.16Å; L87-L91 HydrophobicContact CD1-CG 4.35Å; L87-L91 HydrophobicContact CD2-CD1 4.42Å; L87-L91 HydrophobicContact CG-CD1 3.82Å; L87-L91 HydrophobicContact CG-CG 4.41Å; L87-L91 WeakPolarHBondContact O-CG 3.49Å; L87-L91 PolarHBondContact O-N 3.01Å; L87-L159 HydrophobicContact CD2-CD2 3.99Å; L87-V161 HydrophobicContact CD2-CG1 4.38Å; L87-V161 HydrophobicContact CD2-CG2 3.54Å; L87-V192 HydrophobicContact CD2-CG1 4.04Å; L87-V424 HydrophobicContact CD1-CG2 4.13Å; L87-S426 WeakPolarHBondContact CA-OG 3.41Å; L87-S426 WeakPolarHBondContact CB-OG 3.43Å; L87-I432 HydrophobicContact CD1-CD1 3.38Å; L87-L435 HydrophobicContact CD1-CD2 4.19Å
88	V	97.3	Very high	93.3	Very high	1 Å²	1	24 Å²	24	1%	0.006	13%	0.127	C	C	.	.	H	α-helix	trans	-57.6	-48.5	176.7	171.3	0	0	0	0	110.4	V76 K84 S85 M90 L91 T92 A112 F123 D125	V76-V88 HydrophobicContact CB-CG2 4.28Å; V76-V88 HydrophobicContact CG1-CG2 4.37Å; V76-V88 HydrophobicContact CG2-CG2 3.81Å; K84-V88 WeakPolarHBondContact O-CG2 3.34Å; K84-V88 PolarHBondContact O-N 3Å; S85-V88 PolarHBondContact O-N 3.45Å; V88-M90 VanDerWaalsContact C-N 3.26Å; V88-M90 PolarHBondContact O-N 3.07Å; V88-L91 PolarHBondContact O-N 2.9Å; V88-L91 VanDerWaalsContact O-N 3.13Å; V88-T92 HydrophobicContact CG1-CG2 4.29Å; V88-T92 WeakPolarHBondContact O-CG2 3.41Å; V88-T92 PolarHBondContact O-N 3.39Å; V88-T92 PolarHBondContact O-OG1 3.26Å; V88-T92 VanDerWaalsContact O-OG1 3.06Å; V88-A112 HydrophobicContact CG1-CB 3.92Å; V88-F123 HydrophobicContact CG1-CB 3.89Å; V88-F123 HydrophobicContact CG2-CB 4.11Å; V88-D125 HydrophobicContact CG2-CB 4.16Å
89	N	95.5	Very high	93.3	Very high	15 Å²	15	26.1 Å²	26.1	8%	0.08	14%	0.14	C	C	.	.	H	α-helix	trans	-59.4	-36.4	178.1	-71.4	-15.2	0	0	0	113.3	S85 S86 L87 T92 K93 W94 V96 C97	S85-N89 VanDerWaalsContact O-CG 3.23Å; S85-N89 PolarHBondContact O-N 3.34Å; S85-N89 PolarHBondContact O-ND2 2.93Å; S86-N89 PolarHBondContact O-N 3.43Å; L87-N89 VanDerWaalsContact C-N 3.34Å; L87-N89 PolarHBondContact O-N 3.38Å; N89-T92 PolarHBondContact O-OG1 3.03Å; N89-K93 WeakPolarHBondContact O-CA 3.49Å; N89-K93 PolarHBondContact O-N 3.37Å; N89-W94 WeakPolarHBondContact CA-O 3.32Å; N89-W94 VanDerWaalsContact CB-O 3.3Å; N89-W94 WeakPolarHBondContact CB-O 3.42Å; N89-W94 PolarHBondContact O-N 3.28Å; N89-W94 VanDerWaalsContact O-N 3.11Å; N89-W94 PolarHBondContact OD1-O 2.95Å; N89-W94 VanDerWaalsContact OD1-O 3.13Å; N89-V96 PolarHBondContact OD1-N 2.74Å; N89-V96 VanDerWaalsContact OD1-N 3.1Å; N89-C97 PolarHBondContact ND2-O 3.17Å; N89-C97 WeakPolarHBondContact OD1-CB 3.24Å; N89-C97 PolarHBondContact OD1-N 3.11Å
90	M	96.3	Very high	93.2	Very high	66 Å²	66	25.7 Å²	25.7	33%	0.325	14%	0.137	S	C	.	.	H	α-helix	trans	-71.8	-39.2	176.5	-68.3	-61.4	-64.3	0	0	112.1	S86 L87 V88 K93 S426 I432	S86-M90 VanDerWaalsContact O-CG 3.29Å; S86-M90 WeakPolarHBondContact O-CG 3.49Å; S86-M90 PolarHBondContact O-N 2.73Å; S86-M90 VanDerWaalsContact O-N 3.11Å; L87-M90 PolarHBondContact O-N 3.45Å; L87-M90 VanDerWaalsContact O-N 3.17Å; V88-M90 VanDerWaalsContact C-N 3.26Å; V88-M90 PolarHBondContact O-N 3.07Å; M90-K93 PolarHBondContact O-N 3.02Å; M90-S426 VanDerWaalsContact CG-O 3.28Å; M90-S426 WeakPolarHBondContact CG-O 3.3Å; M90-I432 HydrophobicContact CB-CD1 4.21Å; M90-I432 HydrophobicContact CB-CG1 4.22Å; M90-I432 HydrophobicContact CB-CG2 4.13Å
91	L	96.7	Very high	93.1	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-68.5	-38.4	178.7	-73.2	168.2	0	0	0	112	L87 V88 K93 F123 L159 I432 L435 R436	L87-L91 HydrophobicContact CD1-CD1 4.16Å; L87-L91 HydrophobicContact CD1-CG 4.35Å; L87-L91 HydrophobicContact CD2-CD1 4.42Å; L87-L91 HydrophobicContact CG-CD1 3.82Å; L87-L91 HydrophobicContact CG-CG 4.41Å; L87-L91 WeakPolarHBondContact O-CG 3.49Å; L87-L91 PolarHBondContact O-N 3.01Å; V88-L91 PolarHBondContact O-N 2.9Å; V88-L91 VanDerWaalsContact O-N 3.13Å; L91-K93 VanDerWaalsContact C-N 3.34Å; L91-F123 HydrophobicContact CB-CD2 4.46Å; L91-F123 HydrophobicContact CB-CE1 4.14Å; L91-F123 HydrophobicContact CB-CE2 3.86Å; L91-F123 HydrophobicContact CB-CZ 3.67Å; L91-F123 HydrophobicContact CD1-CD1 4.11Å; L91-F123 HydrophobicContact CD1-CE1 3.57Å; L91-F123 HydrophobicContact CD1-CZ 3.95Å; L91-F123 HydrophobicContact CG-CE1 4.37Å; L91-F123 HydrophobicContact CG-CZ 4.26Å; L91-L159 HydrophobicContact CD1-CD2 4.36Å; L91-I432 HydrophobicContact CD2-CG2 4.01Å; L91-I432 HydrophobicContact CG-CG2 4.48Å; L91-L435 HydrophobicContact CD1-CD2 4.28Å; L91-L435 HydrophobicContact CD2-CD2 4.16Å; L91-L435 HydrophobicContact CD2-CG 4.16Å; L91-R436 HydrophobicContact CD2-CB 4.09Å
92	T	93.5	Very high	92.8	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-81.9	-12.8	177	61.1	0	0	0	0	113.7	V88 N89 W94 A112 F123	V88-T92 HydrophobicContact CG1-CG2 4.29Å; V88-T92 WeakPolarHBondContact O-CG2 3.41Å; V88-T92 PolarHBondContact O-N 3.39Å; V88-T92 PolarHBondContact O-OG1 3.26Å; V88-T92 VanDerWaalsContact O-OG1 3.06Å; N89-T92 PolarHBondContact O-OG1 3.03Å; T92-W94 PolarHBondContact O-N 2.74Å; T92-W94 PolarHBondContact OG1-N 2.97Å; T92-W94 PolarHBondContact OG1-O 2.98Å; T92-A112 HydrophobicContact CG2-CB 3.87Å; T92-F123 HydrophobicContact CG2-CD2 3.59Å; T92-F123 HydrophobicContact CG2-CE2 4.08Å
93	K	91.2	Very high	92.2	Very high	116 Å²	116	27.7 Å²	27.7	50%	0.504	16%	0.162	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.8	24.9	-169.6	-53.3	179.3	-178.7	170.3	0	112.8	N89 M90 L91 Y114	N89-K93 WeakPolarHBondContact O-CA 3.49Å; N89-K93 PolarHBondContact O-N 3.37Å; M90-K93 PolarHBondContact O-N 3.02Å; L91-K93 VanDerWaalsContact C-N 3.34Å; K93-Y114 HydrophobicContact CD-CE2 4.17Å; K93-Y114 HydrophobicContact CG-CE2 4.45Å
94	W	90.6	Very high	91.5	Very high	21 Å²	21	27.7 Å²	27.7	8%	0.08	16%	0.159	C	C	.	.	S	Bend	trans	-137.2	137.9	179	-103.9	-71.2	0	0	0	112	Q45 N89 T92 V96 I456	Q45-W94 HydrophobicContact CB-CH2 3.21Å; Q45-W94 HydrophobicContact CB-CZ2 3.98Å; Q45-W94 HydrophobicContact CB-CZ3 3.76Å; Q45-W94 HydrophobicContact CG-CH2 4.35Å; Q45-W94 WeakPolarHBondContact O-CH2 3.47Å; Q45-W94 WeakPolarHBondContact O-CZ2 3.37Å; Q45-W94 VanDerWaalsContact OE1-CZ3 3.28Å; N89-W94 WeakPolarHBondContact CA-O 3.32Å; N89-W94 VanDerWaalsContact CB-O 3.3Å; N89-W94 WeakPolarHBondContact CB-O 3.42Å; N89-W94 PolarHBondContact O-N 3.28Å; N89-W94 VanDerWaalsContact O-N 3.11Å; N89-W94 PolarHBondContact OD1-O 2.95Å; N89-W94 VanDerWaalsContact OD1-O 3.13Å; T92-W94 PolarHBondContact O-N 2.74Å; T92-W94 PolarHBondContact OG1-N 2.97Å; T92-W94 PolarHBondContact OG1-O 2.98Å; W94-V96 VanDerWaalsContact C-N 3.32Å; W94-V96 HydrophobicContact CB-CG1 4.17Å; W94-V96 PolarHBondContact O-N 3.23Å; W94-I456 HydrophobicContact CB-CG2 3.94Å; W94-I456 HydrophobicContact CD2-CD1 3.35Å; W94-I456 HydrophobicContact CD2-CG1 3.9Å; W94-I456 HydrophobicContact CD2-CG2 3.94Å; W94-I456 HydrophobicContact CE3-CB 4.38Å; W94-I456 HydrophobicContact CE3-CD1 3.59Å; W94-I456 HydrophobicContact CE3-CG1 3.62Å; W94-I456 HydrophobicContact CE3-CG2 3.77Å; W94-I456 HydrophobicContact CG-CD1 4.01Å; W94-I456 HydrophobicContact CG-CG2 4.01Å; W94-I456 HydrophobicContact CH2-CD1 3.72Å; W94-I456 HydrophobicContact CH2-CG1 4.14Å; W94-I456 HydrophobicContact CZ2-CD1 3.42Å; W94-I456 VanDerWaalsContact CZ2-CD1 3.42Å; W94-I456 HydrophobicContact CZ2-CG1 4.32Å; W94-I456 HydrophobicContact CZ3-CD1 3.76Å; W94-I456 HydrophobicContact CZ3-CG1 3.75Å
95	K	90.2	Very high	90.9	Very high	78 Å²	78	27.7 Å²	27.7	34%	0.339	16%	0.16	S	C	.	.			trans	-86	71	176.7	-161.5	175.3	-174.9	-174.4	0	111.2	E539 M543	K95-E539 HydrophobicContact CD-CG 4.01Å; K95-E539 WeakPolarHBondContact CE-OE1 3.37Å; K95-E539 VanDerWaalsContact CE-OE2 3.31Å; K95-E539 WeakPolarHBondContact CE-OE2 3.34Å; K95-E539 IonicContact NZ-OE1 3.42Å; K95-E539 PolarHBondContact NZ-OE1 2.99Å; K95-E539 IonicContact NZ-OE2 3.94Å; K95-E539 PolarHBondContact NZ-OE2 3.23Å; K95-M543 WeakPolarHBondContact O-CG 3.41Å
96	V	90	Very high	90.2	Very high	5 Å²	5	27.5 Å²	27.5	3%	0.03	16%	0.158	C	C	.	.			trans	-96.2	-32.4	-178.9	-74.4	0	0	0	0	113.2	V47 N89 W94 A112 I456 T457 L464	V47-V96 HydrophobicContact CG2-CG1 3.96Å; N89-V96 PolarHBondContact OD1-N 2.74Å; N89-V96 VanDerWaalsContact OD1-N 3.1Å; W94-V96 VanDerWaalsContact C-N 3.32Å; W94-V96 HydrophobicContact CB-CG1 4.17Å; W94-V96 PolarHBondContact O-N 3.23Å; V96-A112 HydrophobicContact CG2-CB 3.58Å; V96-I456 HydrophobicContact CG1-CG2 4.12Å; V96-T457 HydrophobicContact CG1-CG2 4.02Å; V96-L464 WeakPolarHBondContact O-CD2 3.3Å
97	C	93.2	Very high	89.4	Confident	2 Å²	2	28.5 Å²	28.5	1%	0.014	16%	0.157	C	C	.	.	S	Bend	trans	-89	133.4	175.8	-61.5	0	0	0	0	110.1	N89	N89-C97 PolarHBondContact ND2-O 3.17Å; N89-C97 WeakPolarHBondContact OD1-CB 3.24Å; N89-C97 PolarHBondContact OD1-N 3.11Å
98	A	90.9	Very high	88.5	Confident	4 Å²	4	30.4 Å²	30.4	3%	0.033	17%	0.17	C	C	.	.			trans	-66.5	132.9	176	0	0	0	0	0	111.7	T105 M467	A98-T105 HydrophobicContact CB-CG2 3.94Å; A98-T105 VanDerWaalsContact O-CG2 3.31Å; A98-T105 WeakPolarHBondContact O-CG2 3.44Å; A98-M467 HydrophobicContact CB-CB 3.89Å; A98-M467 WeakPolarHBondContact CB-O 3.17Å
99	V	92.4	Very high	87.9	Confident	45 Å²	45	34 Å²	34	27%	0.273	19%	0.186	S	C	.	.			trans	-122.8	127.9	-178.7	178.7	0	0	0	0	110.6	S86	S86-V99 WeakPolarHBondContact OG-CG1 3.23Å
100	S	89.9	Confident	87.6	Confident	15 Å²	15	33.4 Å²	33.4	11%	0.105	18%	0.182	C	C	.	.			trans	-136.3	156.5	173.1	171.9	0	0	0	0	110.2	K102 T105 L474 N475	S100-K102 PolarHBondContact O-N 3.42Å; S100-K102 PolarHBondContact OG-N 3.2Å; S100-T105 WeakPolarHBondContact CB-OG1 3.16Å; S100-L474 WeakPolarHBondContact OG-CB 3.27Å; S100-N475 WeakPolarHBondContact CA-OD1 3.28Å; S100-N475 WeakPolarHBondContact CB-OD1 3.41Å; S100-N475 PolarHBondContact OG-OD1 2.89Å
101	G	85	Confident	87.4	Confident	67 Å²	67	30.8 Å²	30.8	69%	0.691	17%	0.17	S	C	*	.	S	Bend	trans	-69.7	-5.9	167.9	0	0	0	0	0	113.7	N475	G101-N475 PolarHBondContact N-OD1 2.87Å; G101-N475 VanDerWaalsContact N-OD1 3.08Å
102	K	84	Confident	87.3	Confident	53 Å²	53	30.8 Å²	30.8	23%	0.23	17%	0.17	C	C	.	.	S	Bend	trans	-97.5	151.8	178	-66	-165.5	177.1	168	0	112.6	N81 S100 T105 L474 L477	N81-K102 PolarHBondContact OD1-O 3.06Å; S100-K102 PolarHBondContact O-N 3.42Å; S100-K102 PolarHBondContact OG-N 3.2Å; K102-T105 PolarHBondContact O-OG1 3.21Å; K102-L474 HydrophobicContact CB-CB 4.39Å; K102-L474 HydrophobicContact CB-CD2 4.31Å; K102-L474 HydrophobicContact CD-CB 4.17Å; K102-L474 HydrophobicContact CD-CD2 4.02Å; K102-L474 WeakPolarHBondContact CD-O 3.32Å; K102-L474 WeakPolarHBondContact CE-O 3.31Å; K102-L474 PolarHBondContact NZ-O 2.87Å; K102-L477 PolarHBondContact NZ-O 3.09Å
103	A	81.4	Confident	87.3	Confident	25 Å²	25	30.8 Å²	30.8	21%	0.207	17%	0.17	C	C	.	.	S	Bend	trans	-69.4	156.3	175.4	0	0	0	0	0	111.8	P80 N81 Y483	P80-A103 HydrophobicContact CB-CB 3.88Å; N81-A103 PolarHBondContact ND2-N 3.29Å; N81-A103 VanDerWaalsContact OD1-CA 3.29Å; N81-A103 WeakPolarHBondContact OD1-CA 3.46Å; N81-A103 PolarHBondContact OD1-N 3.39Å; A103-Y483 PolarHBondContact O-OH 2.91Å
104	H	78.4	Confident	87.5	Confident	13 Å²	13	26.1 Å²	26.1	6%	0.06	15%	0.15	C	C	.	.			trans	64	34.5	176.3	-47.8	-78.2	0	0	0	114.5	F138 L140 F144	H104-F138 AromaticContact NE2-CD2 3.7Å; H104-F138 AromaticContact NE2-CE2 3.96Å; H104-L140 HydrophobicContact CB-CD2 4.44Å; H104-F144 AromaticContact ND1-CE2 3.96Å; H104-F144 AromaticContact ND1-CZ 3.64Å
105	T	83.4	Confident	87.5	Confident	10 Å²	10	27.6 Å²	27.6	6%	0.061	16%	0.157	C	C	.	.			trans	-63.9	-48.4	172.4	-49.3	0	0	0	0	111.3	A98 S100 K102 W470 L474	A98-T105 HydrophobicContact CB-CG2 3.94Å; A98-T105 VanDerWaalsContact O-CG2 3.31Å; A98-T105 WeakPolarHBondContact O-CG2 3.44Å; S100-T105 WeakPolarHBondContact CB-OG1 3.16Å; K102-T105 PolarHBondContact O-OG1 3.21Å; T105-W470 PolarHBondContact O-NE1 3.32Å; T105-L474 HydrophobicContact CG2-CD1 4.11Å
106	T	81.6	Confident	87.5	Confident	9 Å²	9	26.8 Å²	26.8	6%	0.055	15%	0.154	C	C	.	.			trans	-82.8	120.9	173.4	-43.9	0	0	0	0	109.5	S85 S108 D125 P127	S85-T106 PolarHBondContact OG-OG1 3.34Å; T106-S108 WeakPolarHBondContact CG2-O 3.07Å; T106-D125 PolarHBondContact OG1-OD2 3.03Å; T106-P127 HydrophobicContact CG2-CG 4.43Å; T106-P127 WeakPolarHBondContact O-CB 3.36Å
107	R	78.3	Confident	87.4	Confident	54 Å²	54	32.3 Å²	32.3	20%	0.204	18%	0.183	C	C	.	.			trans	-107.2	-24.4	-177.9	-75.6	-175.1	160.2	-170.1	-7.5	114.2
108	S	79	Confident	87.3	Confident	40 Å²	40	33.9 Å²	33.9	28%	0.28	19%	0.192	S	C	.	.	S	Bend	trans	-133.9	164	179.2	59.7	0	0	0	0	110.6	T106 Q110	T106-S108 WeakPolarHBondContact CG2-O 3.07Å; S108-Q110 PolarHBondContact O-N 2.84Å
109	K	85	Confident	87.5	Confident	76 Å²	76	33.9 Å²	33.9	33%	0.33	19%	0.191	S	C	.	.			trans	-53.9	133.4	168.4	-173.8	175.5	75.8	178.7	0	111.5	V124 L126 D147 A151	K109-V124 HydrophobicContact CD-CG1 3.73Å; K109-V124 HydrophobicContact CG-CG1 3.39Å; K109-L126 HydrophobicContact CB-CD2 4.23Å; K109-L126 HydrophobicContact CG-CD2 4Å; K109-D147 HydrophobicContact CB-CB 4.33Å; K109-D147 PolarHBondContact N-OD2 2.84Å; K109-A151 HydrophobicContact CD-CB 3.81Å; K109-A151 HydrophobicContact CG-CB 4.4Å
110	Q	88.4	Confident	87.6	Confident	2 Å²	2	31.8 Å²	31.8	1%	0.009	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	132.2	175.6	-68	-176.8	-18.9	0	0	110.1	S108 V124 D125	S108-Q110 PolarHBondContact O-N 2.84Å; Q110-V124 CarbonylContact O-C 3.6Å; Q110-V124 WeakPolarHBondContact O-CA 3.34Å; Q110-D125 HydrophobicContact CB-CB 4.42Å; Q110-D125 PolarHBondContact N-O 2.65Å; Q110-D125 PolarHBondContact O-N 3.41Å
111	T	92.3	Very high	87.9	Confident	11 Å²	11	31.1 Å²	31.1	7%	0.067	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	126.4	177.5	-42.6	0	0	0	0	110.3	A122 F123 V124 T457 D458	T111-A122 HydrophobicContact CG2-CB 4.29Å; T111-F123 CarbonylContact C-O 3.55Å; T111-F123 WeakPolarHBondContact CA-O 3.22Å; T111-V124 HydrophobicContact CG2-CG2 4.39Å; T111-T457 WeakPolarHBondContact O-CA 3.26Å; T111-T457 PolarHBondContact O-OG1 3.41Å; T111-D458 VanDerWaalsContact CB-CG 3.49Å; T111-D458 WeakPolarHBondContact CB-OD2 3.39Å; T111-D458 PolarHBondContact N-OD1 3.08Å; T111-D458 PolarHBondContact O-N 3.36Å; T111-D458 PolarHBondContact OG1-OD2 2.97Å
112	A	94.3	Very high	88.5	Confident	0 Å²	0	27.9 Å²	27.9	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	133.5	175.6	0	0	0	0	0	110.5	V88 T92 V96 A122 F123 I456	V88-A112 HydrophobicContact CG1-CB 3.92Å; T92-A112 HydrophobicContact CG2-CB 3.87Å; V96-A112 HydrophobicContact CG2-CB 3.58Å; A112-A122 CarbonylContact O-C 3.04Å; A112-F123 PolarHBondContact N-O 3.32Å; A112-F123 PolarHBondContact O-N 2.99Å; A112-I456 CarbonylContact C-O 3.59Å; A112-I456 VanDerWaalsContact CA-O 3.3Å; A112-I456 WeakPolarHBondContact CA-O 3.48Å
113	T	93.8	Very high	89.1	Confident	1 Å²	1	25.4 Å²	25.4	1%	0.006	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	145.1	-176.7	52.7	0	0	0	0	111.6	Q120 L121 A122 L451 M455 I456	T113-Q120 HydrophobicContact CG2-CG 4.23Å; T113-L121 CarbonylContact C-O 3.39Å; T113-L121 VanDerWaalsContact CA-O 3.22Å; T113-L121 WeakPolarHBondContact CA-O 3.42Å; T113-A122 HydrophobicContact CG2-CB 4.08Å; T113-L451 HydrophobicContact CG2-CB 4.14Å; T113-L451 HydrophobicContact CG2-CD1 3.73Å; T113-L451 HydrophobicContact CG2-CG 4.03Å; T113-M455 PolarHBondContact OG1-O 3.46Å; T113-I456 PolarHBondContact N-O 3.47Å; T113-I456 VanDerWaalsContact OG1-C 3.28Å; T113-I456 VanDerWaalsContact OG1-CA 3.3Å; T113-I456 WeakPolarHBondContact OG1-CA 3.24Å; T113-I456 PolarHBondContact OG1-O 2.87Å; T113-I456 VanDerWaalsContact OG1-O 3.14Å
114	Y	94.6	Very high	89.7	Confident	18 Å²	18	24.2 Å²	24.2	7%	0.071	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	131.8	166	175.1	-102.7	0	0	0	107.6	K93 Q116 Q120 L121 R436	K93-Y114 HydrophobicContact CD-CE2 4.17Å; K93-Y114 HydrophobicContact CG-CE2 4.45Å; Y114-Q116 HydrophobicContact CD1-CB 4.41Å; Y114-Q116 HydrophobicContact CE1-CB 3.56Å; Y114-Q116 PolarHBondContact OH-OE1 2.91Å; Y114-Q120 CarbonylContact O-C 3.53Å; Y114-Q120 WeakPolarHBondContact O-CA 3.2Å; Y114-L121 HydrophobicContact CD1-CD1 4.13Å; Y114-L121 HydrophobicContact CD1-CG 4.39Å; Y114-L121 PolarHBondContact N-O 3.05Å; Y114-L121 PolarHBondContact O-N 3.35Å; Y114-R436 HydrophobicContact CD1-CG 4.47Å; Y114-R436 HydrophobicContact CE1-CG 4.16Å
115	F	91.2	Very high	90.4	Very high	52 Å²	52	23.6 Å²	23.6	23%	0.228	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	133.7	178.4	-172.8	-100.1	0	0	0	109.7	D117 V119 Q120 W449 P453	F115-D117 VanDerWaalsContact CE1-O 3.3Å; F115-D117 WeakPolarHBondContact CE1-O 3.33Å; F115-D117 WeakPolarHBondContact CZ-O 3.13Å; F115-V119 WeakPolarHBondContact CA-O 3.36Å; F115-Q120 HydrophobicContact CD2-CB 4.45Å; F115-W449 HydrophobicContact CD2-CZ2 4.49Å; F115-W449 HydrophobicContact CE2-CD2 4.44Å; F115-W449 AromaticContact CE2-CE2 3.79Å; F115-W449 HydrophobicContact CE2-CH2 4.13Å; F115-W449 AromaticContact CE2-CZ2 3.61Å; F115-W449 HydrophobicContact CE2-CZ2 3.61Å; F115-W449 HydrophobicContact CZ-CZ2 4.39Å; F115-P453 HydrophobicContact CD1-CB 4.45Å; F115-P453 HydrophobicContact CD2-CB 4.2Å; F115-P453 HydrophobicContact CE1-CB 4.31Å; F115-P453 HydrophobicContact CE2-CB 4.04Å; F115-P453 HydrophobicContact CG-CB 4.39Å; F115-P453 HydrophobicContact CZ-CB 4.1Å
116	Q	90.5	Very high	90.5	Very high	61 Å²	61	23.1 Å²	23.1	29%	0.285	11%	0.114	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.6	117.8	174	177	176.8	-23.6	0	0	108.6	Y114 N118 V119	Y114-Q116 HydrophobicContact CD1-CB 4.41Å; Y114-Q116 HydrophobicContact CE1-CB 3.56Å; Y114-Q116 PolarHBondContact OH-OE1 2.91Å; Q116-N118 PolarHBondContact O-N 2.95Å; Q116-V119 PolarHBondContact N-O 3.34Å; Q116-V119 WeakPolarHBondContact O-CA 3.47Å; Q116-V119 WeakPolarHBondContact O-CB 3.38Å; Q116-V119 PolarHBondContact O-N 3.42Å
117	D	88.4	Confident	90.5	Very high	120 Å²	120	22.8 Å²	22.8	64%	0.642	11%	0.112	S	C	*	.	T	Hydrogen-bonded Turn	trans	54	-115.5	-179.2	-48.9	-45.4	0	0	0	112	F115	F115-D117 VanDerWaalsContact CE1-O 3.3Å; F115-D117 WeakPolarHBondContact CE1-O 3.33Å; F115-D117 WeakPolarHBondContact CZ-O 3.13Å
118	N	91	Very high	90.5	Very high	36 Å²	36	20.5 Å²	20.5	19%	0.193	11%	0.105	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.3	29.4	175.1	69.7	-5.1	0	0	0	112.1	D68 R70 Q116 W449	D68-N118 PolarHBondContact O-ND2 2.95Å; D68-N118 PolarHBondContact OD2-ND2 3.34Å; R70-N118 PolarHBondContact N-O 2.86Å; R70-N118 PolarHBondContact NE-OD1 3.08Å; R70-N118 PolarHBondContact NH2-OD1 3.07Å; Q116-N118 PolarHBondContact O-N 2.95Å; N118-W449 VanDerWaalsContact O-CH2 3.25Å; N118-W449 WeakPolarHBondContact O-CH2 3.39Å
119	V	94.8	Very high	90.3	Very high	4 Å²	4	19.3 Å²	19.3	2%	0.024	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	134.3	179	-172	0	0	0	0	112.2	R70 F115 Q116 L121 V440 A443	R70-V119 HydrophobicContact CB-CG2 4.18Å; R70-V119 VanDerWaalsContact NH2-CG2 3.3Å; R70-V119 CarbonylContact O-C 3.58Å; R70-V119 VanDerWaalsContact O-CA 3.29Å; R70-V119 WeakPolarHBondContact O-CA 3.36Å; F115-V119 WeakPolarHBondContact CA-O 3.36Å; Q116-V119 PolarHBondContact N-O 3.34Å; Q116-V119 WeakPolarHBondContact O-CA 3.47Å; Q116-V119 WeakPolarHBondContact O-CB 3.38Å; Q116-V119 PolarHBondContact O-N 3.42Å; V119-L121 HydrophobicContact CG1-CD2 4.09Å; V119-V440 HydrophobicContact CB-CG1 4.36Å; V119-V440 HydrophobicContact CG1-CG1 4.18Å; V119-V440 HydrophobicContact CG1-CG2 4.44Å; V119-V440 HydrophobicContact CG2-CG1 4.06Å; V119-A443 HydrophobicContact CG1-CB 3.47Å; V119-A443 VanDerWaalsContact CG1-CB 3.47Å
120	Q	94.4	Very high	89.7	Confident	1 Å²	1	16.7 Å²	16.7	1%	0.005	9%	0.086	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	124.9	170.7	-175.2	-179.4	65	0	0	110.3	R70 V71 L72 T113 Y114 F115 W449 L451	R70-Q120 PolarHBondContact O-N 2.88Å; V71-Q120 WeakPolarHBondContact CA-O 3.49Å; L72-Q120 PolarHBondContact N-O 2.88Å; T113-Q120 HydrophobicContact CG2-CG 4.23Å; Y114-Q120 CarbonylContact O-C 3.53Å; Y114-Q120 WeakPolarHBondContact O-CA 3.2Å; F115-Q120 HydrophobicContact CD2-CB 4.45Å; Q120-W449 HydrophobicContact CB-CD2 4.23Å; Q120-W449 HydrophobicContact CB-CE3 3.16Å; Q120-W449 HydrophobicContact CB-CH2 4.06Å; Q120-W449 HydrophobicContact CB-CZ3 3.09Å; Q120-W449 HydrophobicContact CG-CE3 4.11Å; Q120-W449 HydrophobicContact CG-CZ3 4.42Å; Q120-L451 PolarHBondContact NE2-O 2.79Å
121	L	97	Very high	88.7	Confident	0 Å²	0	17.6 Å²	17.6	0%	0	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	121.2	170.7	-52.3	-178.9	0	0	0	108.2	L72 T113 Y114 V119 F123 R436 L439 V440	L72-L121 HydrophobicContact CB-CD2 3.73Å; L72-L121 HydrophobicContact CD2-CD2 4.25Å; L72-L121 CarbonylContact O-C 3.59Å; L72-L121 WeakPolarHBondContact O-CA 3.41Å; T113-L121 CarbonylContact C-O 3.39Å; T113-L121 VanDerWaalsContact CA-O 3.22Å; T113-L121 WeakPolarHBondContact CA-O 3.42Å; Y114-L121 HydrophobicContact CD1-CD1 4.13Å; Y114-L121 HydrophobicContact CD1-CG 4.39Å; Y114-L121 PolarHBondContact N-O 3.05Å; Y114-L121 PolarHBondContact O-N 3.35Å; V119-L121 HydrophobicContact CG1-CD2 4.09Å; L121-F123 HydrophobicContact CB-CD2 4.49Å; L121-F123 HydrophobicContact CB-CE2 3.71Å; L121-F123 HydrophobicContact CB-CZ 3.82Å; L121-F123 HydrophobicContact CD1-CE2 4.36Å; L121-F123 HydrophobicContact CD1-CZ 3.9Å; L121-R436 HydrophobicContact CD1-CG 4.31Å; L121-L439 HydrophobicContact CD1-CB 3.86Å; L121-L439 HydrophobicContact CD2-CB 4.32Å; L121-V440 HydrophobicContact CD1-CG2 3.93Å; L121-V440 HydrophobicContact CG-CG2 4.45Å
122	A	95.9	Very high	87.3	Confident	0 Å²	0	22.1 Å²	22.1	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	106.8	174.1	0	0	0	0	0	109.9	L72 K73 V74 T111 A112 T113 I450	L72-A122 PolarHBondContact O-N 3.18Å; K73-A122 CarbonylContact C-O 3.59Å; K73-A122 WeakPolarHBondContact CA-O 3.29Å; K73-A122 HydrophobicContact CG-CB 4.35Å; V74-A122 PolarHBondContact N-O 3.15Å; T111-A122 HydrophobicContact CG2-CB 4.29Å; A112-A122 CarbonylContact O-C 3.04Å; T113-A122 HydrophobicContact CG2-CB 4.08Å; A122-I450 HydrophobicContact CB-CD1 3.41Å; A122-I450 VanDerWaalsContact CB-CD1 3.41Å
123	F	97.6	Very high	85.5	Confident	0 Å²	0	26.6 Å²	26.6	0%	0	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	122.8	176	-59.8	-77.9	0	0	0	110	V74 V76 V88 L91 T92 T111 A112 L121 L439	V74-F123 HydrophobicContact CB-CD1 4.04Å; V74-F123 HydrophobicContact CB-CE1 4.34Å; V74-F123 HydrophobicContact CG1-CD1 4.32Å; V74-F123 HydrophobicContact CG2-CE1 4.39Å; V76-F123 HydrophobicContact CG2-CD1 4.36Å; V88-F123 HydrophobicContact CG1-CB 3.89Å; V88-F123 HydrophobicContact CG2-CB 4.11Å; L91-F123 HydrophobicContact CB-CD2 4.46Å; L91-F123 HydrophobicContact CB-CE1 4.14Å; L91-F123 HydrophobicContact CB-CE2 3.86Å; L91-F123 HydrophobicContact CB-CZ 3.67Å; L91-F123 HydrophobicContact CD1-CD1 4.11Å; L91-F123 HydrophobicContact CD1-CE1 3.57Å; L91-F123 HydrophobicContact CD1-CZ 3.95Å; L91-F123 HydrophobicContact CG-CE1 4.37Å; L91-F123 HydrophobicContact CG-CZ 4.26Å; T92-F123 HydrophobicContact CG2-CD2 3.59Å; T92-F123 HydrophobicContact CG2-CE2 4.08Å; T111-F123 CarbonylContact C-O 3.55Å; T111-F123 WeakPolarHBondContact CA-O 3.22Å; A112-F123 PolarHBondContact N-O 3.32Å; A112-F123 PolarHBondContact O-N 2.99Å; L121-F123 HydrophobicContact CB-CD2 4.49Å; L121-F123 HydrophobicContact CB-CE2 3.71Å; L121-F123 HydrophobicContact CB-CZ 3.82Å; L121-F123 HydrophobicContact CD1-CE2 4.36Å; L121-F123 HydrophobicContact CD1-CZ 3.9Å; F123-L439 HydrophobicContact CE1-CD1 3.65Å; F123-L439 HydrophobicContact CZ-CD1 4.01Å
124	V	94.3	Very high	84.2	Confident	0 Å²	0	32.1 Å²	32.1	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	101.1	173	-172.4	0	0	0	0	107.7	K73 V74 V76 K109 Q110 T111 L126 A151	K73-V124 HydrophobicContact CG-CG2 4.15Å; V74-V124 PolarHBondContact O-N 3.45Å; V76-V124 PolarHBondContact N-O 3.31Å; K109-V124 HydrophobicContact CD-CG1 3.73Å; K109-V124 HydrophobicContact CG-CG1 3.39Å; Q110-V124 CarbonylContact O-C 3.6Å; Q110-V124 WeakPolarHBondContact O-CA 3.34Å; T111-V124 HydrophobicContact CG2-CG2 4.39Å; V124-L126 HydrophobicContact CG1-CD2 4.03Å; V124-L126 HydrophobicContact CG1-CG 4.28Å; V124-A151 HydrophobicContact CG1-CB 3.81Å
125	D	92.2	Very high	82.6	Confident	0 Å²	0	31.4 Å²	31.4	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.4	128.6	172.2	-168.7	31.5	0	0	0	109	K84 S85 V88 T106 Q110	K84-D125 WeakPolarHBondContact CB-OD1 3.36Å; S85-D125 WeakPolarHBondContact CA-OD2 3.32Å; S85-D125 VanDerWaalsContact CB-OD2 3.27Å; S85-D125 WeakPolarHBondContact CB-OD2 3.34Å; S85-D125 PolarHBondContact OG-OD2 2.95Å; V88-D125 HydrophobicContact CG2-CB 4.16Å; T106-D125 PolarHBondContact OG1-OD2 3.03Å; Q110-D125 HydrophobicContact CB-CB 4.42Å; Q110-D125 PolarHBondContact N-O 2.65Å; Q110-D125 PolarHBondContact O-N 3.41Å
126	L	85.5	Confident	80.8	Confident	1 Å²	1	33.6 Å²	33.6	1%	0.005	19%	0.186	C	C	.	.			trans	-117.2	146.7	-176.3	-65.4	164.8	0	0	0	110.7	A75 I77 K84 K109 V124 A151	A75-L126 HydrophobicContact CB-CD1 4.28Å; I77-L126 HydrophobicContact CG2-CD1 3.67Å; K84-L126 WeakPolarHBondContact CE-O 3.21Å; K109-L126 HydrophobicContact CB-CD2 4.23Å; K109-L126 HydrophobicContact CG-CD2 4Å; V124-L126 HydrophobicContact CG1-CD2 4.03Å; V124-L126 HydrophobicContact CG1-CG 4.28Å; L126-A151 HydrophobicContact CD1-CB 3.65Å; L126-A151 HydrophobicContact CD2-CB 3.23Å; L126-A151 HydrophobicContact CG-CB 3.94Å
127	P	81.9	Confident	79	Confident	1 Å²	1	40.4 Å²	40.4	1%	0.006	21%	0.209	C	C	.	.	P	Polyproline II helix	trans	-52.9	144.9	169.6	-22.8	32.5	0	0	0	111.7	T106 L129 F144	T106-P127 HydrophobicContact CG2-CG 4.43Å; T106-P127 WeakPolarHBondContact O-CB 3.36Å; P127-L129 PolarHBondContact O-N 3.04Å; P127-F144 HydrophobicContact CB-CD1 4.34Å; P127-F144 HydrophobicContact CB-CD2 3.6Å; P127-F144 HydrophobicContact CB-CE1 3.94Å; P127-F144 HydrophobicContact CB-CE2 3.2Å; P127-F144 HydrophobicContact CB-CG 4.16Å; P127-F144 HydrophobicContact CB-CZ 3.36Å; P127-F144 HydrophobicContact CG-CD2 4.11Å; P127-F144 HydrophobicContact CG-CE2 4.15Å
128	G	77.7	Confident	77.6	Confident	6 Å²	6	38.8 Å²	38.8	6%	0.062	20%	0.197	C	C	.	.	P	Polyproline II helix	trans	-61.1	127.6	-177.9	0	0	0	0	0	111.6	G78 V130 F144	G78-G128 WeakPolarHBondContact O-CA 3.38Å; G128-V130 PolarHBondContact O-N 3.29Å; G128-V130 VanDerWaalsContact O-N 3.15Å; G128-F144 VanDerWaalsContact O-CE1 3.26Å; G128-F144 WeakPolarHBondContact O-CE1 3.23Å; G128-F144 VanDerWaalsContact O-CZ 3.3Å; G128-F144 WeakPolarHBondContact O-CZ 3.39Å
129	L	75.9	Confident	76	Confident	16 Å²	16	44.8 Å²	44.8	8%	0.084	22%	0.221	C	C	.	.	P	Polyproline II helix	trans	-60.2	118.7	-177.8	-62.2	177.7	0	0	0	110	I77 G78 P127 P148 E176 I177	I77-L129 HydrophobicContact CB-CD1 4.35Å; G78-L129 PolarHBondContact O-N 3.01Å; P127-L129 PolarHBondContact O-N 3.04Å; L129-P148 HydrophobicContact CD2-CB 3.62Å; L129-P148 HydrophobicContact CD2-CG 3.74Å; L129-E176 HydrophobicContact CB-CB 3.89Å; L129-E176 HydrophobicContact CD1-CB 4.29Å; L129-I177 HydrophobicContact CD1-CG1 3.82Å
130	V	72	Confident	74.4	Confident	21 Å²	21	46 Å²	46	13%	0.127	23%	0.227	C	C	.	.			trans	-127.8	145	173	-69.9	0	0	0	0	110.4	P80 G128 K134 A135 L140 F144	P80-V130 HydrophobicContact CG-CG1 3.46Å; P80-V130 VanDerWaalsContact CG-CG1 3.46Å; G128-V130 PolarHBondContact O-N 3.29Å; G128-V130 VanDerWaalsContact O-N 3.15Å; V130-K134 HydrophobicContact CB-CB 4.18Å; V130-A135 HydrophobicContact CG2-CB 4.09Å; V130-L140 HydrophobicContact CG2-CD1 3.74Å; V130-F144 HydrophobicContact CG2-CD1 4.29Å; V130-F144 HydrophobicContact CG2-CE1 3.59Å; V130-F144 HydrophobicContact CG2-CZ 4.27Å
131	G	67.1	Low	72.7	Confident	20 Å²	20	51.4 Å²	51.4	21%	0.206	25%	0.253	C	S	.	.			trans	-63.5	157.6	172.9	0	0	0	0	0	112.1	S133 K134 A135	G131-S133 PolarHBondContact O-N 3.08Å; G131-K134 WeakPolarHBondContact O-CB 3.34Å; G131-K134 PolarHBondContact O-N 3.38Å; G131-A135 PolarHBondContact O-N 3.35Å
132	R	64.1	Low	70.9	Confident	107 Å²	107	58.9 Å²	58.9	40%	0.404	29%	0.285	S	S	.	.	H	α-helix	trans	-53.8	-45.4	-174.2	-67.1	-178.7	-177.9	-178.5	-2.1	113.8	K134 A135 S136	R132-K134 VanDerWaalsContact C-N 3.27Å; R132-K134 PolarHBondContact O-N 3.23Å; R132-A135 WeakPolarHBondContact O-CB 3.35Å; R132-A135 PolarHBondContact O-N 2.66Å; R132-A135 VanDerWaalsContact O-N 3.08Å; R132-S136 PolarHBondContact O-N 2.71Å
133	S	56.6	Low	68.9	Low	93 Å²	93	61.7 Å²	61.7	65%	0.65	30%	0.302	S	S	*	.	H	α-helix	trans	-61.8	-37.3	-179.2	-37.9	0	0	0	0	111.7	G131 R137	G131-S133 PolarHBondContact O-N 3.08Å; S133-R137 WeakPolarHBondContact O-CB 3.21Å; S133-R137 PolarHBondContact O-N 3.42Å; S133-R137 VanDerWaalsContact O-N 3.11Å
134	K	65.5	Low	67.1	Low	117 Å²	117	62 Å²	62	51%	0.509	30%	0.304	S	S	.	.	H	α-helix	trans	-70.7	-41.5	173.9	-68.4	-178.5	-176.9	173.2	0	110.9	V130 G131 R132 S136 R137 F138	V130-K134 HydrophobicContact CB-CB 4.18Å; G131-K134 WeakPolarHBondContact O-CB 3.34Å; G131-K134 PolarHBondContact O-N 3.38Å; R132-K134 VanDerWaalsContact C-N 3.27Å; R132-K134 PolarHBondContact O-N 3.23Å; K134-S136 PolarHBondContact O-N 3.16Å; K134-R137 PolarHBondContact O-N 3.06Å; K134-F138 HydrophobicContact CB-CD2 4.4Å; K134-F138 HydrophobicContact CB-CE2 4.31Å; K134-F138 WeakPolarHBondContact O-CD2 3.47Å; K134-F138 PolarHBondContact O-N 3.29Å
135	A	60.7	Low	65.5	Low	4 Å²	4	64.8 Å²	64.8	3%	0.033	32%	0.318	C	S	.	.	H	α-helix	trans	-60.5	-43.5	178.3	0	0	0	0	0	112.7	V130 G131 R132 F138 K139 L140	V130-A135 HydrophobicContact CG2-CB 4.09Å; G131-A135 PolarHBondContact O-N 3.35Å; R132-A135 WeakPolarHBondContact O-CB 3.35Å; R132-A135 PolarHBondContact O-N 2.66Å; R132-A135 VanDerWaalsContact O-N 3.08Å; A135-F138 PolarHBondContact O-N 3.2Å; A135-K139 PolarHBondContact O-N 2.86Å; A135-L140 HydrophobicContact CB-CB 4.37Å; A135-L140 HydrophobicContact CB-CD1 4.03Å; A135-L140 PolarHBondContact O-N 3.33Å
136	S	54.8	Low	64.1	Low	97 Å²	97	73.5 Å²	73.5	68%	0.678	35%	0.351	S	S	*	.	H	α-helix	trans	-64.9	-44.8	175.1	-174.8	0	0	0	0	111.6	R132 K134 F138 K139	R132-S136 PolarHBondContact O-N 2.71Å; K134-S136 PolarHBondContact O-N 3.16Å; S136-F138 VanDerWaalsContact C-N 3.25Å; S136-F138 PolarHBondContact O-N 2.86Å; S136-K139 PolarHBondContact O-N 2.87Å
137	R	52.5	Low	63.3	Low	204 Å²	204	74.6 Å²	74.6	77%	0.77	36%	0.357	S	S	*	.	H	α-helix	trans	-56.3	-37.1	176	-178.2	179.3	176.4	177.7	1	113.2	S133 K134	S133-R137 WeakPolarHBondContact O-CB 3.21Å; S133-R137 PolarHBondContact O-N 3.42Å; S133-R137 VanDerWaalsContact O-N 3.11Å; K134-R137 PolarHBondContact O-N 3.06Å
138	F	58.6	Low	62.7	Low	86 Å²	86	74.9 Å²	74.9	38%	0.377	36%	0.359	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.6	10	179.8	-65.1	-62.6	0	0	0	113.8	H104 K134 A135 S136 L140	H104-F138 AromaticContact NE2-CD2 3.7Å; H104-F138 AromaticContact NE2-CE2 3.96Å; K134-F138 HydrophobicContact CB-CD2 4.4Å; K134-F138 HydrophobicContact CB-CE2 4.31Å; K134-F138 WeakPolarHBondContact O-CD2 3.47Å; K134-F138 PolarHBondContact O-N 3.29Å; A135-F138 PolarHBondContact O-N 3.2Å; S136-F138 VanDerWaalsContact C-N 3.25Å; S136-F138 PolarHBondContact O-N 2.86Å; F138-L140 HydrophobicContact CB-CD1 4.42Å; F138-L140 HydrophobicContact CB-CD2 4.1Å; F138-L140 HydrophobicContact CB-CG 3.94Å; F138-L140 PolarHBondContact O-N 3.42Å
139	K	57.8	Low	62.8	Low	163 Å²	163	77.2 Å²	77.2	71%	0.709	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	48	44.7	-177.4	-60.4	-171.9	175	-162.6	0	112.3	A135 S136 E584	A135-K139 PolarHBondContact O-N 2.86Å; S136-K139 PolarHBondContact O-N 2.87Å; K139-E584 IonicContact NZ-OE2 3.97Å
140	L	61.2	Low	63	Low	28 Å²	28	78.2 Å²	78.2	15%	0.147	38%	0.376	C	S	.	.			trans	-74.8	142.8	178.9	-57.9	178.9	0	0	0	110.2	H104 V130 A135 F138 F144	H104-L140 HydrophobicContact CB-CD2 4.44Å; V130-L140 HydrophobicContact CG2-CD1 3.74Å; A135-L140 HydrophobicContact CB-CB 4.37Å; A135-L140 HydrophobicContact CB-CD1 4.03Å; A135-L140 PolarHBondContact O-N 3.33Å; F138-L140 HydrophobicContact CB-CD1 4.42Å; F138-L140 HydrophobicContact CB-CD2 4.1Å; F138-L140 HydrophobicContact CB-CG 3.94Å; F138-L140 PolarHBondContact O-N 3.42Å; L140-F144 HydrophobicContact CB-CB 4.06Å; L140-F144 HydrophobicContact CB-CD1 4.43Å; L140-F144 HydrophobicContact CB-CD2 4.15Å; L140-F144 HydrophobicContact CB-CG 3.96Å; L140-F144 HydrophobicContact CD1-CD1 3.72Å; L140-F144 HydrophobicContact CD1-CD2 3.93Å; L140-F144 HydrophobicContact CD1-CE1 3.65Å; L140-F144 HydrophobicContact CD1-CE2 3.77Å; L140-F144 HydrophobicContact CD1-CG 3.9Å; L140-F144 HydrophobicContact CD1-CZ 3.66Å; L140-F144 HydrophobicContact CD2-CD2 4.17Å; L140-F144 HydrophobicContact CD2-CE2 4.13Å; L140-F144 HydrophobicContact CG-CD2 4.3Å; L140-F144 HydrophobicContact CG-CE2 4.44Å; L140-F144 HydrophobicContact CG-CG 4.41Å
141	E	58.9	Low	63.4	Low	115 Å²	115	77.2 Å²	77.2	54%	0.537	37%	0.37	S	S	.	.			trans	-61.8	154.2	178.3	-66	174.1	-165.6	0	0	111.7	T143 F144	E141-T143 VanDerWaalsContact CB-OG1 3.24Å; E141-T143 WeakPolarHBondContact CB-OG1 3.38Å; E141-T143 PolarHBondContact O-N 3.33Å; E141-T143 PolarHBondContact OE2-OG1 3.1Å; E141-F144 WeakPolarHBondContact O-CB 3.39Å; E141-F144 PolarHBondContact O-N 2.9Å
142	K	57.3	Low	64.5	Low	157 Å²	157	76.4 Å²	76.4	68%	0.683	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.1	-30.2	178.2	-66.1	-172	179	-171.3	0	112.6	F144 I145 R146	K142-F144 PolarHBondContact O-N 3.14Å; K142-I145 PolarHBondContact O-N 3.17Å; K142-R146 PolarHBondContact O-N 3.49Å
143	T	54.1	Low	65.6	Low	59 Å²	59	76.5 Å²	76.5	36%	0.362	37%	0.365	S	S	.	.	H	α-helix	trans	-55	-36.3	171.4	43.9	0	0	0	0	111.8	E141 I145 R146 D147	E141-T143 VanDerWaalsContact CB-OG1 3.24Å; E141-T143 WeakPolarHBondContact CB-OG1 3.38Å; E141-T143 PolarHBondContact O-N 3.33Å; E141-T143 PolarHBondContact OE2-OG1 3.1Å; T143-I145 PolarHBondContact O-N 3.23Å; T143-I145 VanDerWaalsContact O-N 3.09Å; T143-R146 PolarHBondContact O-N 3.25Å; T143-R146 VanDerWaalsContact O-N 3.09Å; T143-D147 WeakPolarHBondContact O-CB 3.35Å; T143-D147 PolarHBondContact O-N 3.48Å
144	F	59.5	Low	67.1	Low	7 Å²	7	75.6 Å²	75.6	3%	0.031	35%	0.352	C	S	.	.	H	α-helix	trans	-56.1	-32.1	178.7	-162.1	-77.2	0	0	0	113	H104 P127 G128 V130 L140 E141 K142 P148	H104-F144 AromaticContact ND1-CE2 3.96Å; H104-F144 AromaticContact ND1-CZ 3.64Å; P127-F144 HydrophobicContact CB-CD1 4.34Å; P127-F144 HydrophobicContact CB-CD2 3.6Å; P127-F144 HydrophobicContact CB-CE1 3.94Å; P127-F144 HydrophobicContact CB-CE2 3.2Å; P127-F144 HydrophobicContact CB-CG 4.16Å; P127-F144 HydrophobicContact CB-CZ 3.36Å; P127-F144 HydrophobicContact CG-CD2 4.11Å; P127-F144 HydrophobicContact CG-CE2 4.15Å; G128-F144 VanDerWaalsContact O-CE1 3.26Å; G128-F144 WeakPolarHBondContact O-CE1 3.23Å; G128-F144 VanDerWaalsContact O-CZ 3.3Å; G128-F144 WeakPolarHBondContact O-CZ 3.39Å; V130-F144 HydrophobicContact CG2-CD1 4.29Å; V130-F144 HydrophobicContact CG2-CE1 3.59Å; V130-F144 HydrophobicContact CG2-CZ 4.27Å; L140-F144 HydrophobicContact CB-CB 4.06Å; L140-F144 HydrophobicContact CB-CD1 4.43Å; L140-F144 HydrophobicContact CB-CD2 4.15Å; L140-F144 HydrophobicContact CB-CG 3.96Å; L140-F144 HydrophobicContact CD1-CD1 3.72Å; L140-F144 HydrophobicContact CD1-CD2 3.93Å; L140-F144 HydrophobicContact CD1-CE1 3.65Å; L140-F144 HydrophobicContact CD1-CE2 3.77Å; L140-F144 HydrophobicContact CD1-CG 3.9Å; L140-F144 HydrophobicContact CD1-CZ 3.66Å; L140-F144 HydrophobicContact CD2-CD2 4.17Å; L140-F144 HydrophobicContact CD2-CE2 4.13Å; L140-F144 HydrophobicContact CG-CD2 4.3Å; L140-F144 HydrophobicContact CG-CE2 4.44Å; L140-F144 HydrophobicContact CG-CG 4.41Å; E141-F144 WeakPolarHBondContact O-CB 3.39Å; E141-F144 PolarHBondContact O-N 2.9Å; K142-F144 PolarHBondContact O-N 3.14Å; F144-P148 VanDerWaalsContact O-CD 3.29Å; F144-P148 WeakPolarHBondContact O-CD 3.38Å
145	I	61.9	Low	68.5	Low	59 Å²	59	70.2 Å²	70.2	30%	0.303	33%	0.33	S	S	.	.	H	α-helix	trans	-88.6	-34	-179.9	-51.8	174.5	0	0	0	111.3	K142 T143 F323	K142-I145 PolarHBondContact O-N 3.17Å; T143-I145 PolarHBondContact O-N 3.23Å; T143-I145 VanDerWaalsContact O-N 3.09Å; I145-F323 HydrophobicContact CB-CE2 4.05Å; I145-F323 HydrophobicContact CG2-CD2 4.3Å; I145-F323 HydrophobicContact CG2-CE2 3.42Å; I145-F323 VanDerWaalsContact CG2-CE2 3.42Å; I145-F323 HydrophobicContact CG2-CZ 4.07Å
146	R	63.5	Low	70.2	Confident	183 Å²	183	72 Å²	72	69%	0.691	34%	0.339	S	S	*	.	H	α-helix	trans	-80	-39.3	-177.8	-174.7	179.7	176.7	-176.9	-1.1	112.8	K142 T143 H149 S150	K142-R146 PolarHBondContact O-N 3.49Å; T143-R146 PolarHBondContact O-N 3.25Å; T143-R146 VanDerWaalsContact O-N 3.09Å; R146-H149 PolarHBondContact O-N 3.17Å; R146-S150 PolarHBondContact O-N 3.37Å
147	D	66.9	Low	72.2	Confident	24 Å²	24	67.5 Å²	67.5	13%	0.128	31%	0.307	C	S	.	.	H	α-helix	trans	-56.5	-42.4	-172.8	-75.8	4.7	0	0	0	113.5	K109 T143 H149 S150 A151	K109-D147 HydrophobicContact CB-CB 4.33Å; K109-D147 PolarHBondContact N-OD2 2.84Å; T143-D147 WeakPolarHBondContact O-CB 3.35Å; T143-D147 PolarHBondContact O-N 3.48Å; D147-H149 VanDerWaalsContact C-N 3.32Å; D147-H149 PolarHBondContact O-N 2.94Å; D147-S150 PolarHBondContact O-N 3.47Å; D147-S150 PolarHBondContact O-OG 2.99Å; D147-S150 VanDerWaalsContact O-OG 3.11Å; D147-A151 WeakPolarHBondContact O-CB 3.41Å; D147-A151 PolarHBondContact O-N 3.36Å
148	P	70.8	Confident	74.4	Confident	7 Å²	7	57.8 Å²	57.8	5%	0.045	27%	0.27	C	S	.	.	H	α-helix	trans	-60.6	-40.9	178.7	-24.4	34.8	0	0	0	113.1	L129 F144 I152	L129-P148 HydrophobicContact CD2-CB 3.62Å; L129-P148 HydrophobicContact CD2-CG 3.74Å; F144-P148 VanDerWaalsContact O-CD 3.29Å; F144-P148 WeakPolarHBondContact O-CD 3.38Å; P148-I152 WeakPolarHBondContact O-CB 3.36Å; P148-I152 VanDerWaalsContact O-CD1 3.31Å; P148-I152 WeakPolarHBondContact O-CD1 3.16Å; P148-I152 WeakPolarHBondContact O-CG1 3.36Å; P148-I152 PolarHBondContact O-N 3.03Å
149	H	79.5	Confident	76.3	Confident	54 Å²	54	53.7 Å²	53.7	25%	0.25	25%	0.252	C	S	.	.	H	α-helix	trans	-68.3	-47.2	-179.3	-87.5	-88.1	0	0	0	112.9	R146 D147 A151 I152 F153 F184 W402	R146-H149 PolarHBondContact O-N 3.17Å; D147-H149 VanDerWaalsContact C-N 3.32Å; D147-H149 PolarHBondContact O-N 2.94Å; H149-A151 VanDerWaalsContact C-N 3.34Å; H149-I152 PolarHBondContact O-N 3.46Å; H149-F153 VanDerWaalsContact O-CB 3.27Å; H149-F153 WeakPolarHBondContact O-CB 3.42Å; H149-F153 PolarHBondContact O-N 3.05Å; H149-F184 AromaticContact ND1-CE2 3.67Å; H149-F184 AromaticContact ND1-CZ 3.82Å; H149-F184 WeakPolarHBondContact O-CZ 3.28Å; H149-W402 AromaticContact CE1-CE3 3.33Å; H149-W402 AromaticContact CE1-CH2 3.54Å; H149-W402 AromaticContact CE1-CZ3 3.04Å; H149-W402 WeakPolarHBondContact CE1-CZ3 3.48Å; H149-W402 AromaticContact NE2-CE3 3.75Å; H149-W402 AromaticContact NE2-CH2 3.16Å; H149-W402 WeakPolarHBondContact NE2-CH2 3.48Å; H149-W402 AromaticContact NE2-CZ2 3.71Å; H149-W402 AromaticContact NE2-CZ3 3.24Å; H149-W402 WeakPolarHBondContact NE2-CZ3 3.44Å
150	S	79.4	Confident	78.2	Confident	37 Å²	37	45.9 Å²	45.9	26%	0.259	22%	0.219	S	C	.	.	H	α-helix	trans	-65.3	-41.3	179.1	58.3	0	0	0	0	111	R146 D147 F153 D154	R146-S150 PolarHBondContact O-N 3.37Å; D147-S150 PolarHBondContact O-N 3.47Å; D147-S150 PolarHBondContact O-OG 2.99Å; D147-S150 VanDerWaalsContact O-OG 3.11Å; S150-F153 PolarHBondContact O-N 3.3Å; S150-D154 PolarHBondContact O-N 2.94Å
151	A	81.5	Confident	79.9	Confident	1 Å²	1	44.6 Å²	44.6	1%	0.008	21%	0.212	C	C	.	.	H	α-helix	trans	-65	-42.5	177.6	0	0	0	0	0	113.3	K109 V124 L126 D147 H149 F153 D154 S155	K109-A151 HydrophobicContact CD-CB 3.81Å; K109-A151 HydrophobicContact CG-CB 4.4Å; V124-A151 HydrophobicContact CG1-CB 3.81Å; L126-A151 HydrophobicContact CD1-CB 3.65Å; L126-A151 HydrophobicContact CD2-CB 3.23Å; L126-A151 HydrophobicContact CG-CB 3.94Å; D147-A151 WeakPolarHBondContact O-CB 3.41Å; D147-A151 PolarHBondContact O-N 3.36Å; H149-A151 VanDerWaalsContact C-N 3.34Å; A151-F153 VanDerWaalsContact C-N 3.35Å; A151-D154 PolarHBondContact O-N 3.21Å; A151-S155 WeakPolarHBondContact O-CB 3.37Å; A151-S155 PolarHBondContact O-N 2.86Å
152	I	89.2	Confident	81.8	Confident	2 Å²	2	39.4 Å²	39.4	1%	0.01	19%	0.187	C	C	.	.	H	α-helix	trans	-65.1	-43.6	174.3	-64.5	162.9	0	0	0	109.5	A75 I77 P148 H149 D154 S155 I158 A180 F184 K187	A75-I152 HydrophobicContact CB-CB 4.5Å; A75-I152 HydrophobicContact CB-CG1 3.99Å; I77-I152 HydrophobicContact CD1-CD1 4.45Å; I77-I152 HydrophobicContact CG2-CD1 3.98Å; I77-I152 HydrophobicContact CG2-CG1 4.04Å; P148-I152 WeakPolarHBondContact O-CB 3.36Å; P148-I152 VanDerWaalsContact O-CD1 3.31Å; P148-I152 WeakPolarHBondContact O-CD1 3.16Å; P148-I152 WeakPolarHBondContact O-CG1 3.36Å; P148-I152 PolarHBondContact O-N 3.03Å; H149-I152 PolarHBondContact O-N 3.46Å; I152-D154 VanDerWaalsContact C-N 3.29Å; I152-D154 PolarHBondContact O-N 2.97Å; I152-S155 WeakPolarHBondContact CA-OG 3.47Å; I152-S155 PolarHBondContact O-N 3.1Å; I152-S155 PolarHBondContact O-OG 3.28Å; I152-I158 HydrophobicContact CG2-CD1 3.51Å; I152-I158 HydrophobicContact CG2-CG1 3.82Å; I152-A180 HydrophobicContact CD1-CB 3.99Å; I152-F184 HydrophobicContact CB-CD2 3.92Å; I152-F184 HydrophobicContact CB-CE2 3.73Å; I152-F184 HydrophobicContact CB-CG 4.44Å; I152-F184 HydrophobicContact CB-CZ 4.11Å; I152-F184 HydrophobicContact CD1-CD2 4.19Å; I152-F184 HydrophobicContact CD1-CE2 4.09Å; I152-F184 HydrophobicContact CG2-CB 3.91Å; I152-F184 HydrophobicContact CG2-CD1 3.95Å; I152-F184 HydrophobicContact CG2-CD2 3.24Å; I152-F184 HydrophobicContact CG2-CE1 4.24Å; I152-F184 HydrophobicContact CG2-CE2 3.6Å; I152-F184 HydrophobicContact CG2-CG 3.43Å; I152-F184 VanDerWaalsContact CG2-CG 3.43Å; I152-F184 HydrophobicContact CG2-CZ 4.08Å; I152-K187 HydrophobicContact CG2-CD 4.34Å; I152-K187 PolarHBondContact O-NZ 3.45Å
153	F	87.9	Confident	83.6	Confident	110 Å²	110	32.8 Å²	32.8	48%	0.482	16%	0.16	S	C	.	.	H	α-helix	trans	-58.2	-38.8	177.5	-179.6	-96.5	0	0	0	112.7	H149 S150 A151 S155 F184 K187	H149-F153 VanDerWaalsContact O-CB 3.27Å; H149-F153 WeakPolarHBondContact O-CB 3.42Å; H149-F153 PolarHBondContact O-N 3.05Å; S150-F153 PolarHBondContact O-N 3.3Å; A151-F153 VanDerWaalsContact C-N 3.35Å; F153-S155 VanDerWaalsContact C-N 3.31Å; F153-S155 PolarHBondContact O-N 3.33Å; F153-F184 HydrophobicContact CB-CE1 3.91Å; F153-F184 HydrophobicContact CB-CZ 4.24Å; F153-F184 HydrophobicContact CD2-CE1 4.23Å; F153-K187 PolarHBondContact O-NZ 2.96Å
154	D	88	Confident	85.5	Confident	73 Å²	73	30 Å²	30	39%	0.39	14%	0.142	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.8	-4.1	178.2	-57.2	-24.9	0	0	0	114	K73 S150 A151 I152	K73-D154 VanDerWaalsContact CD-O 3.27Å; K73-D154 WeakPolarHBondContact CD-O 3.5Å; K73-D154 WeakPolarHBondContact CE-O 3.02Å; K73-D154 VanDerWaalsContact NZ-CB 3.27Å; K73-D154 PolarHBondContact NZ-O 3.36Å; S150-D154 PolarHBondContact O-N 2.94Å; A151-D154 PolarHBondContact O-N 3.21Å; I152-D154 VanDerWaalsContact C-N 3.29Å; I152-D154 PolarHBondContact O-N 2.97Å
155	S	94.4	Very high	87	Confident	4 Å²	4	31.3 Å²	31.3	3%	0.028	15%	0.152	C	C	.	.			trans	-95.5	154.4	-177	71	0	0	0	0	113.2	A75 A151 I152 F153 K187	A75-S155 WeakPolarHBondContact CB-OG 3.39Å; A151-S155 WeakPolarHBondContact O-CB 3.37Å; A151-S155 PolarHBondContact O-N 2.86Å; I152-S155 WeakPolarHBondContact CA-OG 3.47Å; I152-S155 PolarHBondContact O-N 3.1Å; I152-S155 PolarHBondContact O-OG 3.28Å; F153-S155 VanDerWaalsContact C-N 3.31Å; F153-S155 PolarHBondContact O-N 3.33Å; S155-K187 PolarHBondContact O-NZ 3.34Å
156	D	96.6	Very high	88.5	Confident	42 Å²	42	32.6 Å²	32.6	23%	0.225	16%	0.157	C	C	.	.	S	Bend	trans	-86.8	-31.9	174.6	-56.9	-62.4	0	0	0	111.9	L72 K73 I444 R447	L72-D156 HydrophobicContact CD1-CB 3.78Å; K73-D156 PolarHBondContact N-OD2 3.04Å; K73-D156 PolarHBondContact O-N 2.99Å; D156-I444 HydrophobicContact CB-CD1 4.16Å; D156-R447 IonicContact OD1-CZ 2.69Å; D156-R447 VanDerWaalsContact OD1-CZ 3.3Å; D156-R447 IonicContact OD1-NH1 3.06Å; D156-R447 PolarHBondContact OD1-NH1 3.21Å; D156-R447 IonicContact OD1-NH2 2.66Å; D156-R447 PolarHBondContact OD1-NH2 2.85Å; D156-R447 IonicContact OD2-NH1 2.81Å; D156-R447 PolarHBondContact OD2-NH1 2.57Å
157	L	97.7	Very high	89.7	Confident	2 Å²	2	32 Å²	32	1%	0.01	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	139.8	-174.5	-174.8	148.3	0	0	0	111.3	L72 K73 V74 A75 L159 E188 V190 F438 L439	L72-L157 HydrophobicContact CD1-CB 4.41Å; K73-L157 PolarHBondContact O-N 2.86Å; V74-L157 WeakPolarHBondContact CA-O 3.46Å; V74-L157 HydrophobicContact CG1-CD2 3.95Å; A75-L157 PolarHBondContact N-O 3.07Å; L157-L159 HydrophobicContact CD2-CB 4.37Å; L157-E188 HydrophobicContact CD1-CB 4.44Å; L157-E188 HydrophobicContact CD1-CG 4.2Å; L157-E188 HydrophobicContact CG-CB 4.5Å; L157-V190 HydrophobicContact CD1-CG2 3.98Å; L157-V190 HydrophobicContact CD2-CB 4.34Å; L157-V190 HydrophobicContact CD2-CG2 4.03Å; L157-V190 HydrophobicContact CG-CG2 4.29Å; L157-F438 HydrophobicContact CD1-CE1 4.49Å; L157-L439 HydrophobicContact CD1-CD2 4.31Å; L157-L439 HydrophobicContact CD2-CD2 4.09Å
158	I	97.6	Very high	90.8	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	116.4	177.5	-54	176.8	0	0	0	109.5	I77 I152 V160 L181 F184 K187 E188 S189 V190	I77-I158 HydrophobicContact CD1-CG2 3.46Å; I77-I158 VanDerWaalsContact CD1-CG2 3.46Å; I77-I158 HydrophobicContact CG1-CG2 3.74Å; I152-I158 HydrophobicContact CG2-CD1 3.51Å; I152-I158 HydrophobicContact CG2-CG1 3.82Å; I158-V160 HydrophobicContact CG2-CG2 4.03Å; I158-L181 HydrophobicContact CG2-CD2 4.25Å; I158-F184 HydrophobicContact CD1-CB 3.84Å; I158-K187 HydrophobicContact CD1-CB 3.96Å; I158-K187 HydrophobicContact CD1-CD 4.5Å; I158-K187 HydrophobicContact CG1-CB 4.18Å; I158-E188 PolarHBondContact N-O 2.67Å; I158-S189 CarbonylContact O-C 3.52Å; I158-S189 WeakPolarHBondContact O-CA 3.44Å; I158-V190 PolarHBondContact O-N 2.96Å
159	L	98.4	Very high	91.8	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	108.5	176.5	-165.1	68.5	0	0	0	110.1	V74 A75 V76 I77 L87 L91 L157 V190 V192 L435	V74-L159 HydrophobicContact CG1-CB 3.62Å; V74-L159 HydrophobicContact CG1-CD2 4.27Å; A75-L159 PolarHBondContact O-N 2.8Å; V76-L159 HydrophobicContact CG2-CB 4.47Å; V76-L159 HydrophobicContact CG2-CD2 4.3Å; I77-L159 PolarHBondContact N-O 2.92Å; L87-L159 HydrophobicContact CD2-CD2 3.99Å; L91-L159 HydrophobicContact CD1-CD2 4.36Å; L157-L159 HydrophobicContact CD2-CB 4.37Å; L159-V190 HydrophobicContact CD1-CB 3.87Å; L159-V190 HydrophobicContact CD1-CG1 3.81Å; L159-V192 HydrophobicContact CD1-CG2 3.34Å; L159-V192 HydrophobicContact CD2-CG2 4.23Å; L159-V192 HydrophobicContact CG-CG2 3.7Å; L159-L435 HydrophobicContact CD1-CD1 4.17Å; L159-L435 HydrophobicContact CD2-CD2 4.49Å
160	V	97.8	Very high	92.3	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	109.8	-175.9	-176	0	0	0	0	110.5	I77 I158 I162 I177 L181 V190 L191 V192 F418	I77-V160 HydrophobicContact CD1-CG2 4.02Å; I77-V160 HydrophobicContact CG1-CB 4.49Å; I77-V160 HydrophobicContact CG1-CG2 3.95Å; I158-V160 HydrophobicContact CG2-CG2 4.03Å; V160-I162 HydrophobicContact CG1-CD1 4.15Å; V160-I162 HydrophobicContact CG1-CG1 4.28Å; V160-I177 HydrophobicContact CG1-CD1 4.42Å; V160-I177 HydrophobicContact CG1-CG2 3.61Å; V160-I177 HydrophobicContact CG2-CG2 4.42Å; V160-L181 HydrophobicContact CG2-CD1 4.31Å; V160-L181 HydrophobicContact CG2-CD2 3.98Å; V160-V190 PolarHBondContact N-O 2.9Å; V160-L191 HydrophobicContact CB-CD1 4.49Å; V160-L191 HydrophobicContact CG1-CD1 4.36Å; V160-V192 PolarHBondContact O-N 3.4Å; V160-F418 HydrophobicContact CB-CE1 3.95Å; V160-F418 HydrophobicContact CB-CZ 4.24Å; V160-F418 HydrophobicContact CG1-CZ 4.35Å; V160-F418 HydrophobicContact CG2-CE1 3.76Å; V160-F418 HydrophobicContact CG2-CZ 4.24Å
161	V	98	Very high	92.9	Very high	0 Å²	0	39 Å²	39	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	116.6	-177.2	-171.6	0	0	0	0	111.1	V76 I77 S82 K84 L87 V192 N194	V76-V161 HydrophobicContact CG1-CG2 3.63Å; I77-V161 PolarHBondContact O-N 3Å; S82-V161 VanDerWaalsContact CB-O 3.24Å; S82-V161 WeakPolarHBondContact CB-O 3.45Å; S82-V161 WeakPolarHBondContact O-CG1 3.39Å; S82-V161 PolarHBondContact OG-O 3.28Å; K84-V161 HydrophobicContact CG-CB 4.08Å; K84-V161 HydrophobicContact CG-CG2 4.19Å; L87-V161 HydrophobicContact CD2-CG1 4.38Å; L87-V161 HydrophobicContact CD2-CG2 3.54Å; V161-V192 HydrophobicContact CG2-CB 4.45Å; V161-N194 HydrophobicContact CG1-CB 3.82Å
162	I	96.9	Very high	93.5	Very high	6 Å²	6	41.7 Å²	41.7	3%	0.031	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	132.7	180	-61.5	-59.2	0	0	0	110.5	V160 V164 S169 L173 I177 L191 V192 L193 N194 L213	V160-I162 HydrophobicContact CG1-CD1 4.15Å; V160-I162 HydrophobicContact CG1-CG1 4.28Å; I162-V164 PolarHBondContact O-N 3.4Å; I162-S169 WeakPolarHBondContact CG2-O 3.33Å; I162-L173 HydrophobicContact CD1-CD2 3.85Å; I162-L173 HydrophobicContact CG1-CD2 4.18Å; I162-I177 HydrophobicContact CD1-CD1 3.89Å; I162-L191 HydrophobicContact CB-CD1 4.43Å; I162-L191 HydrophobicContact CG1-CD1 3.63Å; I162-V192 PolarHBondContact N-O 3.17Å; I162-L193 HydrophobicContact CB-CD2 4.25Å; I162-L193 HydrophobicContact CG2-CD2 4.42Å; I162-N194 PolarHBondContact O-N 3.28Å; I162-L213 HydrophobicContact CG1-CD1 4.42Å; I162-L213 HydrophobicContact CG2-CD1 4.03Å
163	D	95.5	Very high	93.7	Very high	18 Å²	18	41.6 Å²	41.6	10%	0.096	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	107.6	173.2	-172.6	-17.6	0	0	0	110.9	S165 H166 S169 K195	D163-S165 VanDerWaalsContact CG-OG 3.3Å; D163-S165 PolarHBondContact O-N 3.25Å; D163-S165 WeakPolarHBondContact OD1-CA 3.28Å; D163-S165 WeakPolarHBondContact OD1-CB 3.45Å; D163-S165 PolarHBondContact OD1-N 2.88Å; D163-S165 PolarHBondContact OD1-OG 3.28Å; D163-S165 PolarHBondContact OD2-OG 3.01Å; D163-H166 HydrophobicContact CB-CB 4.23Å; D163-H166 PolarHBondContact O-N 3.1Å; D163-H166 PolarHBondContact OD1-N 3.34Å; D163-S169 WeakPolarHBondContact O-CB 3.46Å; D163-K195 WeakPolarHBondContact OD1-CD 3.26Å; D163-K195 IonicContact OD1-NZ 3.57Å; D163-K195 WeakPolarHBondContact OD2-CE 3.38Å; D163-K195 IonicContact OD2-NZ 2.65Å; D163-K195 PolarHBondContact OD2-NZ 3.26Å
164	V	94.6	Very high	93.9	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.6	-11.1	177.5	-53.5	0	0	0	0	113.4	I162 H166 R170 L193 N194 K195 I196 L199 L206	I162-V164 PolarHBondContact O-N 3.4Å; V164-H166 VanDerWaalsContact C-N 3.33Å; V164-R170 PolarHBondContact O-NE 2.69Å; V164-R170 PolarHBondContact O-NH2 3.36Å; V164-L193 HydrophobicContact CG1-CB 3.58Å; V164-L193 HydrophobicContact CG1-CD2 4.14Å; V164-L193 HydrophobicContact CG1-CG 4.28Å; V164-N194 WeakPolarHBondContact CG2-O 3.41Å; V164-N194 PolarHBondContact N-O 3.38Å; V164-K195 VanDerWaalsContact CG2-O 3.3Å; V164-K195 WeakPolarHBondContact CG2-O 3.27Å; V164-I196 HydrophobicContact CG2-CG2 4.3Å; V164-L199 HydrophobicContact CB-CD1 3.55Å; V164-L199 HydrophobicContact CB-CG 4.49Å; V164-L199 HydrophobicContact CG2-CD1 3.4Å; V164-L199 VanDerWaalsContact CG2-CD1 3.4Å; V164-L199 HydrophobicContact CG2-CG 3.97Å; V164-L206 HydrophobicContact CB-CD2 4.47Å; V164-L206 HydrophobicContact CG1-CD2 4.26Å; V164-L206 HydrophobicContact CG2-CD2 4.45Å
165	S	91.8	Very high	94	Very high	35 Å²	35	39.7 Å²	39.7	25%	0.245	19%	0.193	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78	-22.8	174.4	77.7	0	0	0	0	112	D163 R170	D163-S165 VanDerWaalsContact CG-OG 3.3Å; D163-S165 PolarHBondContact O-N 3.25Å; D163-S165 WeakPolarHBondContact OD1-CA 3.28Å; D163-S165 WeakPolarHBondContact OD1-CB 3.45Å; D163-S165 PolarHBondContact OD1-N 2.88Å; D163-S165 PolarHBondContact OD1-OG 3.28Å; D163-S165 PolarHBondContact OD2-OG 3.01Å; S165-R170 PolarHBondContact O-NH2 2.86Å
166	H	91.6	Very high	93.7	Very high	87 Å²	87	41.1 Å²	41.1	40%	0.403	20%	0.2	S	C	.	.	S	Bend	trans	-85.9	128.3	-179.6	-170.1	-107.7	0	0	0	111.9	D163 V164 E168 S169 R170	D163-H166 HydrophobicContact CB-CB 4.23Å; D163-H166 PolarHBondContact O-N 3.1Å; D163-H166 PolarHBondContact OD1-N 3.34Å; V164-H166 VanDerWaalsContact C-N 3.33Å; H166-E168 IonicContact CE1-OE2 3.82Å; H166-S169 PolarHBondContact ND1-OG 2.95Å; H166-S169 PolarHBondContact O-N 3.23Å; H166-R170 WeakPolarHBondContact O-CG 3.04Å; H166-R170 PolarHBondContact O-N 2.84Å
167	K	90.2	Very high	93.5	Very high	169 Å²	169	39.1 Å²	39.1	74%	0.735	19%	0.189	S	C	*	.	H	α-helix	trans	-63	-46.5	-173	-71.2	-176.2	-177.6	177.6	0	113.2	S169 R170	K167-S169 VanDerWaalsContact C-N 3.33Å; K167-S169 PolarHBondContact O-N 3.35Å; K167-R170 WeakPolarHBondContact O-CB 3.45Å; K167-R170 PolarHBondContact O-N 3.46Å
168	E	90.2	Very high	93.3	Very high	133 Å²	133	39 Å²	39	62%	0.621	19%	0.188	S	C	*	.	H	α-helix	trans	-64.1	-41.6	-178.1	-170.6	-177.9	-178.1	0	0	111.5	H166 R170 E171 V172	H166-E168 IonicContact CE1-OE2 3.82Å; E168-R170 PolarHBondContact O-N 2.61Å; E168-R170 VanDerWaalsContact O-N 3.1Å; E168-E171 PolarHBondContact O-N 2.86Å; E168-V172 PolarHBondContact O-N 3.13Å
169	S	91	Very high	92.9	Very high	17 Å²	17	39.7 Å²	39.7	12%	0.119	19%	0.191	C	C	.	.	H	α-helix	trans	-65.3	-16.3	-179.1	-50.5	0	0	0	0	113.5	I162 D163 H166 K167	I162-S169 WeakPolarHBondContact CG2-O 3.33Å; D163-S169 WeakPolarHBondContact O-CB 3.46Å; H166-S169 PolarHBondContact ND1-OG 2.95Å; H166-S169 PolarHBondContact O-N 3.23Å; K167-S169 VanDerWaalsContact C-N 3.33Å; K167-S169 PolarHBondContact O-N 3.35Å
170	R	90.7	Very high	92.5	Very high	30 Å²	30	39.9 Å²	39.9	11%	0.113	19%	0.193	C	C	.	.	H	α-helix	trans	-80.1	-27	173.7	-68.7	173.2	-166.8	169	2.2	113.2	V164 S165 H166 K167 E168 I209	V164-R170 PolarHBondContact O-NE 2.69Å; V164-R170 PolarHBondContact O-NH2 3.36Å; S165-R170 PolarHBondContact O-NH2 2.86Å; H166-R170 WeakPolarHBondContact O-CG 3.04Å; H166-R170 PolarHBondContact O-N 2.84Å; K167-R170 WeakPolarHBondContact O-CB 3.45Å; K167-R170 PolarHBondContact O-N 3.46Å; E168-R170 PolarHBondContact O-N 2.61Å; E168-R170 VanDerWaalsContact O-N 3.1Å; R170-I209 HydrophobicContact CB-CD1 4.3Å; R170-I209 HydrophobicContact CB-CG1 3.91Å; R170-I209 HydrophobicContact CB-CG2 4.42Å; R170-I209 HydrophobicContact CG-CD1 3.71Å; R170-I209 HydrophobicContact CG-CG1 3.9Å
171	E	91.2	Very high	92.4	Very high	91 Å²	91	40 Å²	40	43%	0.425	19%	0.193	S	C	.	.	H	α-helix	trans	-98	-38.4	-171.7	-59.7	-59	136.9	0	0	110.7	E168 K212	E168-E171 PolarHBondContact O-N 2.86Å; E171-K212 IonicContact OE1-NZ 3.22Å; E171-K212 PolarHBondContact OE1-NZ 2.8Å; E171-K212 WeakPolarHBondContact OE2-CD 3.11Å; E171-K212 WeakPolarHBondContact OE2-CE 3.44Å; E171-K212 IonicContact OE2-NZ 3.98Å; E171-K212 PolarHBondContact OE2-NZ 3.36Å
172	V	93.5	Very high	92.1	Very high	56 Å²	56	42.2 Å²	42.2	34%	0.339	20%	0.204	S	C	.	.			trans	-141.6	136.5	-168.1	175.3	0	0	0	0	111	E168 T413	E168-V172 PolarHBondContact O-N 3.13Å; V172-T413 HydrophobicContact CB-CG2 4.23Å; V172-T413 HydrophobicContact CG1-CG2 3.62Å; V172-T413 HydrophobicContact CG2-CG2 3.68Å
173	L	94.4	Very high	91.8	Very high	1 Å²	1	43 Å²	43	1%	0.005	21%	0.207	C	C	.	.			trans	-71.2	133.6	165	-68.3	176.5	0	0	0	110	I162 V178 L213 T413 W415 F418	I162-L173 HydrophobicContact CD1-CD2 3.85Å; I162-L173 HydrophobicContact CG1-CD2 4.18Å; L173-V178 HydrophobicContact CB-CG2 3.61Å; L173-V178 HydrophobicContact CD1-CG2 4.42Å; L173-L213 HydrophobicContact CD2-CB 4.27Å; L173-L213 HydrophobicContact CD2-CD1 4.46Å; L173-L213 HydrophobicContact CD2-CD2 3.97Å; L173-L213 HydrophobicContact CD2-CG 4.45Å; L173-L213 HydrophobicContact CG-CB 4.39Å; L173-L213 HydrophobicContact CG-CD2 3.99Å; L173-T413 PolarHBondContact N-O 2.89Å; L173-W415 HydrophobicContact CD1-CB 3.6Å; L173-F418 HydrophobicContact CD1-CE2 4.04Å; L173-F418 HydrophobicContact CD1-CZ 4.3Å
174	H	92.3	Very high	91.6	Very high	52 Å²	52	42.7 Å²	42.7	24%	0.241	21%	0.205	C	C	.	.			trans	-60.8	139.5	178.4	-173.9	-84	0	0	0	111.5	C79 E176 I177 V178	C79-H174 WeakPolarHBondContact SG-CB 3.43Å; C79-H174 VanDerWaalsContact SG-CG 3.58Å; H174-E176 VanDerWaalsContact C-N 3.31Å; H174-E176 PolarHBondContact ND1-N 2.92Å; H174-E176 PolarHBondContact O-N 3.17Å; H174-I177 HydrophobicContact CB-CD1 3.97Å; H174-I177 HydrophobicContact CB-CG1 4.25Å; H174-I177 WeakPolarHBondContact O-CA 3.46Å; H174-I177 WeakPolarHBondContact O-CB 3.47Å; H174-I177 PolarHBondContact O-N 3.1Å; H174-V178 PolarHBondContact O-N 2.77Å; H174-V178 VanDerWaalsContact O-N 3.1Å
175	E	90.2	Very high	91.5	Very high	90 Å²	90	47.1 Å²	47.1	42%	0.421	23%	0.229	S	C	.	.	H	α-helix	trans	-50.5	-46.1	-173.8	-173.6	-173.3	163.8	0	0	113.1	I177 V178 K179	E175-I177 VanDerWaalsContact C-N 3.31Å; E175-I177 PolarHBondContact O-N 2.87Å; E175-V178 WeakPolarHBondContact O-CB 3.37Å; E175-V178 PolarHBondContact O-N 3.36Å; E175-V178 VanDerWaalsContact O-N 3.13Å; E175-K179 HydrophobicContact CG-CD 4.37Å; E175-K179 WeakPolarHBondContact O-CG 3.35Å; E175-K179 PolarHBondContact O-N 3.08Å; E175-K179 WeakPolarHBondContact OE1-CE 3.32Å; E175-K179 IonicContact OE1-NZ 2.76Å; E175-K179 PolarHBondContact OE1-NZ 2.94Å
176	E	86.9	Confident	91.4	Very high	35 Å²	35	51.3 Å²	51.3	16%	0.164	25%	0.248	C	C	.	.	H	α-helix	trans	-64.8	-30.8	178.6	-61.6	-55.2	131.5	0	0	113.8	L129 H174 K179 A180	L129-E176 HydrophobicContact CB-CB 3.89Å; L129-E176 HydrophobicContact CD1-CB 4.29Å; H174-E176 VanDerWaalsContact C-N 3.31Å; H174-E176 PolarHBondContact ND1-N 2.92Å; H174-E176 PolarHBondContact O-N 3.17Å; E176-K179 IonicContact OE1-NZ 3.56Å; E176-K179 PolarHBondContact OE1-NZ 3.35Å; E176-A180 WeakPolarHBondContact O-CB 3.36Å; E176-A180 PolarHBondContact O-N 2.94Å; E176-A180 VanDerWaalsContact O-N 3.09Å
177	I	92.5	Very high	91.5	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-68.5	-44.7	172.9	-62.5	170.6	0	0	0	109	I77 L129 V160 I162 H174 E175 A180 L181	I77-I177 HydrophobicContact CD1-CG2 4.42Å; L129-I177 HydrophobicContact CD1-CG1 3.82Å; V160-I177 HydrophobicContact CG1-CD1 4.42Å; V160-I177 HydrophobicContact CG1-CG2 3.61Å; V160-I177 HydrophobicContact CG2-CG2 4.42Å; I162-I177 HydrophobicContact CD1-CD1 3.89Å; H174-I177 HydrophobicContact CB-CD1 3.97Å; H174-I177 HydrophobicContact CB-CG1 4.25Å; H174-I177 WeakPolarHBondContact O-CA 3.46Å; H174-I177 WeakPolarHBondContact O-CB 3.47Å; H174-I177 PolarHBondContact O-N 3.1Å; E175-I177 VanDerWaalsContact C-N 3.31Å; E175-I177 PolarHBondContact O-N 2.87Å; I177-A180 PolarHBondContact O-N 3.39Å; I177-L181 HydrophobicContact CG2-CD1 3.79Å; I177-L181 HydrophobicContact CG2-CG 4.34Å; I177-L181 VanDerWaalsContact O-CG 3.28Å; I177-L181 WeakPolarHBondContact O-CG 3.36Å; I177-L181 PolarHBondContact O-N 3.42Å
178	V	93.4	Very high	91.9	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-61.8	-46.1	179.4	179	0	0	0	0	110.7	L173 H174 E175 A180 L181 H182 T409 V412	L173-V178 HydrophobicContact CB-CG2 3.61Å; L173-V178 HydrophobicContact CD1-CG2 4.42Å; H174-V178 PolarHBondContact O-N 2.77Å; H174-V178 VanDerWaalsContact O-N 3.1Å; E175-V178 WeakPolarHBondContact O-CB 3.37Å; E175-V178 PolarHBondContact O-N 3.36Å; E175-V178 VanDerWaalsContact O-N 3.13Å; V178-A180 PolarHBondContact O-N 2.93Å; V178-L181 PolarHBondContact O-N 3.48Å; V178-H182 VanDerWaalsContact CG1-CE1 3.43Å; V178-H182 WeakPolarHBondContact CG1-CE1 3.36Å; V178-H182 WeakPolarHBondContact CG1-ND1 3.32Å; V178-H182 PolarHBondContact O-N 3.34Å; V178-H182 PolarHBondContact O-ND1 3.35Å; V178-T409 HydrophobicContact CG1-CG2 4.06Å; V178-V412 HydrophobicContact CG1-CB 3.91Å; V178-V412 HydrophobicContact CG1-CG1 3.69Å
179	K	90.4	Very high	92.2	Very high	14 Å²	14	37.4 Å²	37.4	6%	0.061	19%	0.186	C	C	.	.	H	α-helix	trans	-58.2	-46.9	175.2	-71.5	172.2	-177.5	161.8	0	111.9	E175 E176 L181 H182 F183 W402	E175-K179 HydrophobicContact CG-CD 4.37Å; E175-K179 WeakPolarHBondContact O-CG 3.35Å; E175-K179 PolarHBondContact O-N 3.08Å; E175-K179 WeakPolarHBondContact OE1-CE 3.32Å; E175-K179 IonicContact OE1-NZ 2.76Å; E175-K179 PolarHBondContact OE1-NZ 2.94Å; E176-K179 IonicContact OE1-NZ 3.56Å; E176-K179 PolarHBondContact OE1-NZ 3.35Å; K179-L181 PolarHBondContact O-N 2.57Å; K179-H182 PolarHBondContact O-N 3.31Å; K179-F183 VanDerWaalsContact O-CB 3.3Å; K179-F183 WeakPolarHBondContact O-CB 3.22Å; K179-F183 PolarHBondContact O-N 2.74Å; K179-W402 HydrophobicContact CB-CH2 3.53Å; K179-W402 HydrophobicContact CB-CZ2 4.18Å; K179-W402 HydrophobicContact CB-CZ3 3.83Å; K179-W402 HydrophobicContact CD-CH2 4.15Å; K179-W402 HydrophobicContact CD-CZ2 3.95Å; K179-W402 HydrophobicContact CG-CH2 4.44Å
180	A	90.5	Very high	92.6	Very high	4 Å²	4	36.6 Å²	36.6	3%	0.033	18%	0.18	C	C	.	.	H	α-helix	trans	-60	-46.1	178	0	0	0	0	0	111.6	I77 I152 E176 I177 V178 H182 F183 F184	I77-A180 HydrophobicContact CD1-CB 4.41Å; I152-A180 HydrophobicContact CD1-CB 3.99Å; E176-A180 WeakPolarHBondContact O-CB 3.36Å; E176-A180 PolarHBondContact O-N 2.94Å; E176-A180 VanDerWaalsContact O-N 3.09Å; I177-A180 PolarHBondContact O-N 3.39Å; V178-A180 PolarHBondContact O-N 2.93Å; A180-H182 PolarHBondContact O-N 3.2Å; A180-F183 PolarHBondContact O-N 2.82Å; A180-F184 VanDerWaalsContact O-CD2 3.32Å; A180-F184 WeakPolarHBondContact O-CD2 3.43Å; A180-F184 PolarHBondContact O-N 3.04Å
181	L	94.3	Very high	92.9	Very high	1 Å²	1	35.2 Å²	35.2	1%	0.005	18%	0.175	C	C	.	.	H	α-helix	trans	-64.1	-38	178.6	-70	169.1	0	0	0	113.1	I158 V160 I177 V178 K179 F184 N185 W415 F418	I158-L181 HydrophobicContact CG2-CD2 4.25Å; V160-L181 HydrophobicContact CG2-CD1 4.31Å; V160-L181 HydrophobicContact CG2-CD2 3.98Å; I177-L181 HydrophobicContact CG2-CD1 3.79Å; I177-L181 HydrophobicContact CG2-CG 4.34Å; I177-L181 VanDerWaalsContact O-CG 3.28Å; I177-L181 WeakPolarHBondContact O-CG 3.36Å; I177-L181 PolarHBondContact O-N 3.42Å; V178-L181 PolarHBondContact O-N 3.48Å; K179-L181 PolarHBondContact O-N 2.57Å; L181-F184 CarbonylContact O-C 3.57Å; L181-N185 VanDerWaalsContact O-CA 3.27Å; L181-N185 WeakPolarHBondContact O-CA 3.32Å; L181-N185 PolarHBondContact O-N 3.12Å; L181-N185 VanDerWaalsContact O-N 3.15Å; L181-W415 HydrophobicContact CB-CD2 3.95Å; L181-W415 HydrophobicContact CB-CE3 4.19Å; L181-W415 HydrophobicContact CB-CG 4.38Å; L181-W415 HydrophobicContact CB-CH2 4.46Å; L181-W415 HydrophobicContact CB-CZ2 4.23Å; L181-W415 HydrophobicContact CB-CZ3 4.45Å; L181-W415 HydrophobicContact CD1-CB 3.93Å; L181-W415 HydrophobicContact CD1-CD2 4.16Å; L181-W415 HydrophobicContact CD1-CG 3.7Å; L181-W415 WeakPolarHBondContact O-CH2 3.44Å; L181-F418 HydrophobicContact CD1-CE1 4.41Å; L181-F418 HydrophobicContact CD1-CZ 4.08Å
182	H	92.8	Very high	93.3	Very high	48 Å²	48	30.9 Å²	30.9	22%	0.222	15%	0.154	C	C	.	.	H	α-helix	trans	-73.4	-32.9	175.7	-73.5	77.1	0	0	0	112.2	V178 K179 A180 I405 T409 W415	V178-H182 VanDerWaalsContact CG1-CE1 3.43Å; V178-H182 WeakPolarHBondContact CG1-CE1 3.36Å; V178-H182 WeakPolarHBondContact CG1-ND1 3.32Å; V178-H182 PolarHBondContact O-N 3.34Å; V178-H182 PolarHBondContact O-ND1 3.35Å; K179-H182 PolarHBondContact O-N 3.31Å; A180-H182 PolarHBondContact O-N 3.2Å; H182-I405 HydrophobicContact CB-CG2 3.69Å; H182-T409 HydrophobicContact CB-CG2 3.87Å; H182-T409 VanDerWaalsContact CG-CG2 3.47Å; H182-W415 AromaticContact CD2-CZ3 3.83Å; H182-W415 AromaticContact CE1-CE3 3.54Å; H182-W415 AromaticContact CE1-CZ3 3.53Å; H182-W415 AromaticContact CG-CZ3 3.85Å; H182-W415 AromaticContact ND1-CE3 3.87Å; H182-W415 AromaticContact ND1-CZ3 3.66Å; H182-W415 AromaticContact NE2-CZ3 3.64Å
183	F	89.9	Confident	93.5	Very high	23 Å²	23	28.2 Å²	28.2	10%	0.101	14%	0.138	C	C	.	.	H	α-helix	trans	-67.8	-43.7	177.6	-167.4	-88.5	0	0	0	111.5	K179 A180 R398 R401 W402 I405	K179-F183 VanDerWaalsContact O-CB 3.3Å; K179-F183 WeakPolarHBondContact O-CB 3.22Å; K179-F183 PolarHBondContact O-N 2.74Å; A180-F183 PolarHBondContact O-N 2.82Å; F183-R398 HydrophobicContact CZ-CB 4.36Å; F183-R398 HydrophobicContact CZ-CG 4.45Å; F183-R401 HydrophobicContact CD2-CG 4.19Å; F183-R401 HydrophobicContact CE2-CB 4.16Å; F183-R401 HydrophobicContact CE2-CG 3.94Å; F183-R401 PolarHBondContact O-NH2 2.9Å; F183-W402 HydrophobicContact CB-CE3 4.15Å; F183-W402 HydrophobicContact CB-CZ3 4.1Å; F183-W402 HydrophobicContact CD2-CB 4.3Å; F183-W402 AromaticContact CD2-CE3 3.59Å; F183-W402 HydrophobicContact CD2-CE3 3.59Å; F183-W402 HydrophobicContact CD2-CZ3 4.36Å; F183-W402 HydrophobicContact CE2-CB 4Å; F183-W402 HydrophobicContact CE2-CE3 4.21Å; F183-W402 AromaticContact CG-CE3 3.98Å; F183-W402 HydrophobicContact CG-CE3 3.98Å; F183-W402 HydrophobicContact CG-CZ3 4.32Å; F183-I405 HydrophobicContact CB-CD1 4.04Å; F183-I405 HydrophobicContact CD2-CD1 3.85Å; F183-I405 HydrophobicContact CG-CD1 4.34Å
184	F	91.3	Very high	93.6	Very high	10 Å²	10	28.2 Å²	28.2	4%	0.044	14%	0.139	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105.6	46.8	178.6	-58.5	-75	0	0	0	111.7	H149 I152 F153 I158 A180 L181 D186 K187	H149-F184 AromaticContact ND1-CE2 3.67Å; H149-F184 AromaticContact ND1-CZ 3.82Å; H149-F184 WeakPolarHBondContact O-CZ 3.28Å; I152-F184 HydrophobicContact CB-CD2 3.92Å; I152-F184 HydrophobicContact CB-CE2 3.73Å; I152-F184 HydrophobicContact CB-CG 4.44Å; I152-F184 HydrophobicContact CB-CZ 4.11Å; I152-F184 HydrophobicContact CD1-CD2 4.19Å; I152-F184 HydrophobicContact CD1-CE2 4.09Å; I152-F184 HydrophobicContact CG2-CB 3.91Å; I152-F184 HydrophobicContact CG2-CD1 3.95Å; I152-F184 HydrophobicContact CG2-CD2 3.24Å; I152-F184 HydrophobicContact CG2-CE1 4.24Å; I152-F184 HydrophobicContact CG2-CE2 3.6Å; I152-F184 HydrophobicContact CG2-CG 3.43Å; I152-F184 VanDerWaalsContact CG2-CG 3.43Å; I152-F184 HydrophobicContact CG2-CZ 4.08Å; F153-F184 HydrophobicContact CB-CE1 3.91Å; F153-F184 HydrophobicContact CB-CZ 4.24Å; F153-F184 HydrophobicContact CD2-CE1 4.23Å; I158-F184 HydrophobicContact CD1-CB 3.84Å; A180-F184 VanDerWaalsContact O-CD2 3.32Å; A180-F184 WeakPolarHBondContact O-CD2 3.43Å; A180-F184 PolarHBondContact O-N 3.04Å; L181-F184 CarbonylContact O-C 3.57Å; F184-D186 VanDerWaalsContact C-OD1 3.26Å; F184-D186 WeakPolarHBondContact CA-OD1 3.44Å; F184-D186 PolarHBondContact O-N 2.94Å; F184-K187 HydrophobicContact CB-CD 4.26Å; F184-K187 HydrophobicContact CB-CG 4.27Å; F184-K187 HydrophobicContact CD1-CD 4.46Å; F184-K187 PolarHBondContact O-N 3.42Å; F184-K187 VanDerWaalsContact O-N 3.14Å
185	N	91.5	Very high	93.8	Very high	94 Å²	94	27.6 Å²	27.6	50%	0.503	14%	0.135	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.9	-13	-176.1	66.5	-9.6	0	0	0	114.2	L181 K187 W415	L181-N185 VanDerWaalsContact O-CA 3.27Å; L181-N185 WeakPolarHBondContact O-CA 3.32Å; L181-N185 PolarHBondContact O-N 3.12Å; L181-N185 VanDerWaalsContact O-N 3.15Å; N185-K187 VanDerWaalsContact C-N 3.33Å; N185-W415 HydrophobicContact CB-CH2 4.01Å
186	D	91.2	Very high	94	Very high	123 Å²	123	24.5 Å²	24.5	66%	0.658	12%	0.121	S	C	*	.	T	Hydrogen-bonded Turn	trans	-77.2	-19.3	173.3	59.6	-51.1	0	0	0	112.6	F184	F184-D186 VanDerWaalsContact C-OD1 3.26Å; F184-D186 WeakPolarHBondContact CA-OD1 3.44Å; F184-D186 PolarHBondContact O-N 2.94Å
187	K	93.9	Very high	94.2	Very high	34 Å²	34	25.3 Å²	25.3	15%	0.148	13%	0.126	C	C	.	.	S	Bend	trans	-90.8	141.9	-178	-57.9	-164	176.3	-150.1	0	112	I152 F153 S155 I158 F184 N185 S189	I152-K187 HydrophobicContact CG2-CD 4.34Å; I152-K187 PolarHBondContact O-NZ 3.45Å; F153-K187 PolarHBondContact O-NZ 2.96Å; S155-K187 PolarHBondContact O-NZ 3.34Å; I158-K187 HydrophobicContact CD1-CB 3.96Å; I158-K187 HydrophobicContact CD1-CD 4.5Å; I158-K187 HydrophobicContact CG1-CB 4.18Å; F184-K187 HydrophobicContact CB-CD 4.26Å; F184-K187 HydrophobicContact CB-CG 4.27Å; F184-K187 HydrophobicContact CD1-CD 4.46Å; F184-K187 PolarHBondContact O-N 3.42Å; F184-K187 VanDerWaalsContact O-N 3.14Å; N185-K187 VanDerWaalsContact C-N 3.33Å; K187-S189 PolarHBondContact O-N 3.47Å
188	E	96.9	Very high	94.2	Very high	61 Å²	61	33.2 Å²	33.2	29%	0.285	16%	0.156	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.6	131.2	173.8	-173.5	172	-179.2	0	0	109.7	L157 I158 S419 K442	L157-E188 HydrophobicContact CD1-CB 4.44Å; L157-E188 HydrophobicContact CD1-CG 4.2Å; L157-E188 HydrophobicContact CG-CB 4.5Å; I158-E188 PolarHBondContact N-O 2.67Å; E188-S419 VanDerWaalsContact CG-OG 3.26Å; E188-S419 WeakPolarHBondContact CG-OG 3.34Å; E188-S419 WeakPolarHBondContact OE1-CB 3.36Å; E188-S419 PolarHBondContact OE1-OG 2.86Å; E188-K442 WeakPolarHBondContact OE1-CE 3.3Å; E188-K442 IonicContact OE1-NZ 3.3Å; E188-K442 PolarHBondContact OE1-NZ 3.12Å; E188-K442 IonicContact OE2-NZ 3.71Å; E188-K442 PolarHBondContact OE2-NZ 2.78Å
189	S	97.7	Very high	93.8	Very high	2 Å²	2	34.1 Å²	34.1	1%	0.014	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	133.7	179.8	65.7	0	0	0	0	110.8	I158 K187 W415 G417 F418 S419	I158-S189 CarbonylContact O-C 3.52Å; I158-S189 WeakPolarHBondContact O-CA 3.44Å; K187-S189 PolarHBondContact O-N 3.47Å; S189-W415 PolarHBondContact OG-NE1 3.16Å; S189-G417 PolarHBondContact OG-O 3.22Å; S189-G417 VanDerWaalsContact OG-O 3.08Å; S189-F418 CarbonylContact O-C 3.59Å; S189-F418 WeakPolarHBondContact O-CA 3.39Å; S189-S419 PolarHBondContact O-N 3.26Å; S189-S419 PolarHBondContact O-OG 3.06Å
190	V	98.5	Very high	92.7	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	132.3	-177.8	176.1	0	0	0	0	109.2	L157 I158 L159 V160 S419 E420 F422 F438	L157-V190 HydrophobicContact CD1-CG2 3.98Å; L157-V190 HydrophobicContact CD2-CB 4.34Å; L157-V190 HydrophobicContact CD2-CG2 4.03Å; L157-V190 HydrophobicContact CG-CG2 4.29Å; I158-V190 PolarHBondContact O-N 2.96Å; L159-V190 HydrophobicContact CD1-CB 3.87Å; L159-V190 HydrophobicContact CD1-CG1 3.81Å; V160-V190 PolarHBondContact N-O 2.9Å; V190-S419 WeakPolarHBondContact CG2-OG 3.44Å; V190-E420 HydrophobicContact CG1-CB 4.35Å; V190-F422 HydrophobicContact CG1-CD2 3.71Å; V190-F422 HydrophobicContact CG1-CE2 3.99Å; V190-F438 HydrophobicContact CG2-CE1 3.82Å; V190-F438 HydrophobicContact CG2-CZ 4.12Å
191	L	98.5	Very high	91.8	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	129.9	178.8	-179.8	61.4	0	0	0	110.3	V160 I162 L193 L213 T214 F418 E420 V421 F422	V160-L191 HydrophobicContact CB-CD1 4.49Å; V160-L191 HydrophobicContact CG1-CD1 4.36Å; I162-L191 HydrophobicContact CB-CD1 4.43Å; I162-L191 HydrophobicContact CG1-CD1 3.63Å; L191-L193 HydrophobicContact CD1-CD2 4.32Å; L191-L193 HydrophobicContact CD2-CD2 4.11Å; L191-L193 HydrophobicContact CG-CD2 4.12Å; L191-L213 HydrophobicContact CD2-CB 4.15Å; L191-L213 HydrophobicContact CD2-CD1 4.42Å; L191-T214 HydrophobicContact CD2-CG2 3.79Å; L191-F418 HydrophobicContact CB-CD1 3.7Å; L191-F418 HydrophobicContact CB-CD2 4.08Å; L191-F418 HydrophobicContact CB-CE1 3.77Å; L191-F418 HydrophobicContact CB-CE2 4.12Å; L191-F418 HydrophobicContact CB-CG 3.87Å; L191-F418 HydrophobicContact CB-CZ 3.98Å; L191-F418 HydrophobicContact CD1-CE1 4.35Å; L191-F418 HydrophobicContact CD1-CE2 4.19Å; L191-F418 HydrophobicContact CD1-CZ 3.89Å; L191-F418 HydrophobicContact CD2-CD2 4.27Å; L191-F418 HydrophobicContact CD2-CE2 4.13Å; L191-F418 HydrophobicContact CG-CE2 4.38Å; L191-F418 HydrophobicContact CG-CZ 4.37Å; L191-E420 PolarHBondContact N-O 3.32Å; L191-V421 HydrophobicContact CB-CG1 4.29Å; L191-V421 HydrophobicContact CB-CG2 4.14Å; L191-V421 HydrophobicContact CD2-CG1 4.08Å; L191-V421 HydrophobicContact CD2-CG2 4.23Å; L191-V421 HydrophobicContact CG-CG1 4.22Å; L191-V421 CarbonylContact O-C 3.53Å; L191-V421 WeakPolarHBondContact O-CA 3.47Å; L191-F422 PolarHBondContact O-N 2.74Å
192	V	98.5	Very high	90.7	Very high	0 Å²	0	50.8 Å²	50.8	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	111.4	174.2	-178.6	0	0	0	0	109.4	L87 L159 V160 V161 I162 N194 F422 V424 L435	L87-V192 HydrophobicContact CD2-CG1 4.04Å; L159-V192 HydrophobicContact CD1-CG2 3.34Å; L159-V192 HydrophobicContact CD2-CG2 4.23Å; L159-V192 HydrophobicContact CG-CG2 3.7Å; V160-V192 PolarHBondContact O-N 3.4Å; V161-V192 HydrophobicContact CG2-CB 4.45Å; I162-V192 PolarHBondContact N-O 3.17Å; V192-N194 PolarHBondContact O-N 2.81Å; V192-F422 CarbonylContact C-O 3.43Å; V192-F422 WeakPolarHBondContact CA-O 3.48Å; V192-V424 HydrophobicContact CG1-CB 4.43Å; V192-V424 HydrophobicContact CG1-CG1 4.21Å; V192-V424 HydrophobicContact CG1-CG2 3.35Å; V192-L435 HydrophobicContact CG2-CD1 4.46Å; V192-L435 HydrophobicContact CG2-CD2 4.1Å
193	L	97.6	Very high	89.8	Confident	0 Å²	0	53.1 Å²	53.1	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	96.3	172.2	-64.1	-169.4	0	0	0	108.9	I162 V164 L191 I196 I209 A210 L213 V421 F422 M423 V424	I162-L193 HydrophobicContact CB-CD2 4.25Å; I162-L193 HydrophobicContact CG2-CD2 4.42Å; V164-L193 HydrophobicContact CG1-CB 3.58Å; V164-L193 HydrophobicContact CG1-CD2 4.14Å; V164-L193 HydrophobicContact CG1-CG 4.28Å; L191-L193 HydrophobicContact CD1-CD2 4.32Å; L191-L193 HydrophobicContact CD2-CD2 4.11Å; L191-L193 HydrophobicContact CG-CD2 4.12Å; L193-I196 WeakPolarHBondContact O-CG2 3.41Å; L193-I209 HydrophobicContact CD1-CG2 4.25Å; L193-I209 HydrophobicContact CD2-CG2 4.1Å; L193-A210 HydrophobicContact CD1-CB 4.08Å; L193-L213 HydrophobicContact CD2-CD1 3.98Å; L193-V421 HydrophobicContact CD1-CG1 4.3Å; L193-V421 HydrophobicContact CG-CG1 4.22Å; L193-F422 PolarHBondContact N-O 3.14Å; L193-M423 HydrophobicContact CB-CG 4.35Å; L193-M423 HydrophobicContact CD1-CG 4.32Å; L193-V424 PolarHBondContact O-N 3.06Å
194	N	97.5	Very high	89.1	Confident	2 Å²	2	56.5 Å²	56.5	1%	0.011	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	157	-176.7	-166.1	17.1	0	0	0	112.5	S82 V161 I162 V164 V192 V424 S426	S82-N194 PolarHBondContact O-ND2 3.29Å; V161-N194 HydrophobicContact CG1-CB 3.82Å; I162-N194 PolarHBondContact O-N 3.28Å; V164-N194 WeakPolarHBondContact CG2-O 3.41Å; V164-N194 PolarHBondContact N-O 3.38Å; V192-N194 PolarHBondContact O-N 2.81Å; N194-V424 CarbonylContact C-O 3.47Å; N194-V424 WeakPolarHBondContact CA-O 3.39Å; N194-V424 HydrophobicContact CB-CG2 4.16Å; N194-V424 PolarHBondContact OD1-O 2.8Å; N194-S426 PolarHBondContact ND2-OG 3.35Å; N194-S426 VanDerWaalsContact ND2-OG 3.12Å; N194-S426 PolarHBondContact OD1-N 3.48Å; N194-S426 VanDerWaalsContact OD1-N 3.08Å; N194-S426 PolarHBondContact OD1-OG 2.88Å
195	K	95.6	Very high	88.7	Confident	39 Å²	39	61.3 Å²	61.3	17%	0.17	31%	0.309	C	S	.	.			trans	70.5	36.2	-179.4	-46.8	-169.4	-164.7	167.3	0	114.1	N81 D163 V164 D197 R198 V424	N81-K195 WeakPolarHBondContact O-CE 3.28Å; N81-K195 PolarHBondContact O-NZ 3.2Å; D163-K195 WeakPolarHBondContact OD1-CD 3.26Å; D163-K195 IonicContact OD1-NZ 3.57Å; D163-K195 WeakPolarHBondContact OD2-CE 3.38Å; D163-K195 IonicContact OD2-NZ 2.65Å; D163-K195 PolarHBondContact OD2-NZ 3.26Å; V164-K195 VanDerWaalsContact CG2-O 3.3Å; V164-K195 WeakPolarHBondContact CG2-O 3.27Å; K195-D197 VanDerWaalsContact C-OD1 3.32Å; K195-D197 VanDerWaalsContact CA-OD1 3.31Å; K195-D197 WeakPolarHBondContact CA-OD1 3.28Å; K195-D197 PolarHBondContact O-N 3.26Å; K195-R198 PolarHBondContact O-N 3.09Å; K195-V424 PolarHBondContact N-O 2.86Å; K195-V424 VanDerWaalsContact N-O 3.08Å
196	I	94.1	Very high	88.5	Confident	24 Å²	24	57.7 Å²	57.7	12%	0.123	29%	0.289	C	S	.	.	G	3₁₀ helix	trans	-61.1	-23.3	177.9	65.5	-179.2	0	0	0	113.2	V164 L193 R198 L199 L206 M423 V424 D430	V164-I196 HydrophobicContact CG2-CG2 4.3Å; L193-I196 WeakPolarHBondContact O-CG2 3.41Å; I196-R198 PolarHBondContact O-N 2.96Å; I196-R198 VanDerWaalsContact O-N 3.12Å; I196-L199 PolarHBondContact O-N 3.31Å; I196-L206 HydrophobicContact CB-CD1 4.38Å; I196-L206 HydrophobicContact CG2-CD1 4.2Å; I196-L206 HydrophobicContact CG2-CD2 3.91Å; I196-M423 HydrophobicContact CD1-CB 4.3Å; I196-M423 HydrophobicContact CG2-CB 4.12Å; I196-V424 WeakPolarHBondContact CG1-O 3.17Å; I196-V424 PolarHBondContact N-O 3.47Å; I196-D430 HydrophobicContact CD1-CB 4.44Å; I196-D430 WeakPolarHBondContact CD1-OD2 3.3Å
197	D	92.1	Very high	88.4	Confident	52 Å²	52	56.4 Å²	56.4	28%	0.278	28%	0.282	S	S	.	.	G	3₁₀ helix	trans	-56.2	-25.9	172	55.3	-76	0	0	0	113	K195 S425 I428	K195-D197 VanDerWaalsContact C-OD1 3.32Å; K195-D197 VanDerWaalsContact CA-OD1 3.31Å; K195-D197 WeakPolarHBondContact CA-OD1 3.28Å; K195-D197 PolarHBondContact O-N 3.26Å; D197-S425 WeakPolarHBondContact OD1-CB 3.38Å; D197-S425 PolarHBondContact OD1-OG 3.31Å; D197-I428 HydrophobicContact CB-CD1 3.6Å; D197-I428 HydrophobicContact CB-CG1 4.35Å
198	R	91.5	Very high	88.1	Confident	167 Å²	167	58.5 Å²	58.5	63%	0.63	30%	0.295	S	S	*	.	G	3₁₀ helix	trans	-87.6	-2.7	177.7	-57.8	-164.8	174.1	-169.3	-4.4	113.9	K195 I196	K195-R198 PolarHBondContact O-N 3.09Å; I196-R198 PolarHBondContact O-N 2.96Å; I196-R198 VanDerWaalsContact O-N 3.12Å
199	L	84.3	Confident	87.8	Confident	18 Å²	18	56 Å²	56	9%	0.094	28%	0.283	C	S	.	.			trans	-109	44.6	178.1	-83.9	178.1	0	0	0	111.9	V164 I196 K201 L206 I209	V164-L199 HydrophobicContact CB-CD1 3.55Å; V164-L199 HydrophobicContact CB-CG 4.49Å; V164-L199 HydrophobicContact CG2-CD1 3.4Å; V164-L199 VanDerWaalsContact CG2-CD1 3.4Å; V164-L199 HydrophobicContact CG2-CG 3.97Å; I196-L199 PolarHBondContact O-N 3.31Å; L199-K201 VanDerWaalsContact C-N 3.3Å; L199-K201 PolarHBondContact O-N 2.94Å; L199-L206 HydrophobicContact CD1-CD2 3.5Å; L199-L206 HydrophobicContact CD1-CG 4.31Å; L199-I209 HydrophobicContact CD1-CD1 3.78Å
200	S	68.9	Low	87.6	Confident	99 Å²	99	56.4 Å²	56.4	69%	0.692	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.6	-26.8	-176	60.7	0	0	0	0	114.9	N202	S200-N202 PolarHBondContact O-N 3.47Å
201	K	71.6	Confident	87.2	Confident	188 Å²	188	60.9 Å²	60.9	82%	0.817	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.4	-20	-168.1	-66.1	-170.5	178	-173.9	0	115.4	L199	L199-K201 VanDerWaalsContact C-N 3.3Å; L199-K201 PolarHBondContact O-N 2.94Å
202	N	71.7	Confident	86.8	Confident	83 Å²	83	65 Å²	65	44%	0.444	32%	0.322	S	S	.	.			trans	-159.7	92.7	-177.9	-78.2	-42.8	0	0	0	111.6	S200 T204 R205	S200-N202 PolarHBondContact O-N 3.47Å; N202-T204 PolarHBondContact O-N 3.15Å; N202-R205 HydrophobicContact CB-CB 4.46Å; N202-R205 HydrophobicContact CB-CG 3.65Å; N202-R205 WeakPolarHBondContact O-CB 3.27Å; N202-R205 PolarHBondContact O-N 3.35Å; N202-R205 VanDerWaalsContact O-N 3.1Å
203	P	72.1	Confident	86.7	Confident	96 Å²	96	65 Å²	65	62%	0.623	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.2	-31.8	178.7	-25.2	34.4	0	0	0	113.8	R205 L206	P203-R205 PolarHBondContact O-N 3.18Å; P203-R205 VanDerWaalsContact O-N 3.14Å; P203-L206 WeakPolarHBondContact O-CB 3.32Å; P203-L206 PolarHBondContact O-N 3.22Å
204	T	76.4	Confident	86.5	Confident	94 Å²	94	65.2 Å²	65.2	58%	0.577	32%	0.323	S	S	*	.	H	α-helix	trans	-56.9	-29.1	176.6	51.2	0	0	0	0	112.8	N202 L206 L207 D208	N202-T204 PolarHBondContact O-N 3.15Å; T204-L206 PolarHBondContact O-N 2.98Å; T204-L207 PolarHBondContact O-N 3.26Å; T204-D208 PolarHBondContact O-N 2.83Å
205	R	82.6	Confident	86.1	Confident	111 Å²	111	66.3 Å²	66.3	42%	0.419	34%	0.335	S	S	.	.	H	α-helix	trans	-62.9	-26.2	176.9	-66.7	-179.1	76.6	158.7	10.6	112.8	N202 P203 L207 D208 I209	N202-R205 HydrophobicContact CB-CB 4.46Å; N202-R205 HydrophobicContact CB-CG 3.65Å; N202-R205 WeakPolarHBondContact O-CB 3.27Å; N202-R205 PolarHBondContact O-N 3.35Å; N202-R205 VanDerWaalsContact O-N 3.1Å; P203-R205 PolarHBondContact O-N 3.18Å; P203-R205 VanDerWaalsContact O-N 3.14Å; R205-L207 VanDerWaalsContact C-N 3.31Å; R205-D208 PolarHBondContact O-N 2.97Å; R205-I209 WeakPolarHBondContact O-CD1 3.39Å; R205-I209 WeakPolarHBondContact O-CG1 3.24Å; R205-I209 PolarHBondContact O-N 2.84Å
206	L	88.2	Confident	85.7	Confident	18 Å²	18	64.5 Å²	64.5	9%	0.094	33%	0.328	C	S	.	.	H	α-helix	trans	-65.5	-37.4	177.7	-69.1	170.1	0	0	0	111.6	V164 I196 L199 P203 T204 I209 A210 M423	V164-L206 HydrophobicContact CB-CD2 4.47Å; V164-L206 HydrophobicContact CG1-CD2 4.26Å; V164-L206 HydrophobicContact CG2-CD2 4.45Å; I196-L206 HydrophobicContact CB-CD1 4.38Å; I196-L206 HydrophobicContact CG2-CD1 4.2Å; I196-L206 HydrophobicContact CG2-CD2 3.91Å; L199-L206 HydrophobicContact CD1-CD2 3.5Å; L199-L206 HydrophobicContact CD1-CG 4.31Å; P203-L206 WeakPolarHBondContact O-CB 3.32Å; P203-L206 PolarHBondContact O-N 3.22Å; T204-L206 PolarHBondContact O-N 2.98Å; L206-I209 PolarHBondContact O-N 3.27Å; L206-A210 WeakPolarHBondContact O-CB 3.46Å; L206-A210 PolarHBondContact O-N 2.87Å; L206-M423 HydrophobicContact CB-CE 3.82Å; L206-M423 HydrophobicContact CB-SD 3.73Å; L206-M423 HydrophobicContact CD1-SD 3.79Å; L206-M423 HydrophobicContact CG-SD 4.29Å
207	L	87.4	Confident	85.5	Confident	96 Å²	96	64.9 Å²	64.9	50%	0.503	33%	0.329	S	S	.	.	H	α-helix	trans	-68.1	-38.5	175.7	-62	176.4	0	0	0	111.4	T204 R205 A210 R211 M423	T204-L207 PolarHBondContact O-N 3.26Å; R205-L207 VanDerWaalsContact C-N 3.31Å; L207-A210 PolarHBondContact O-N 2.8Å; L207-R211 VanDerWaalsContact O-CB 3.32Å; L207-R211 WeakPolarHBondContact O-CB 3.35Å; L207-R211 PolarHBondContact O-N 2.77Å; L207-M423 HydrophobicContact CD2-CE 3.94Å
208	D	87.6	Confident	85.5	Confident	79 Å²	79	64.2 Å²	64.2	42%	0.422	33%	0.327	S	S	.	.	H	α-helix	trans	-64.4	-43	174.2	-68.6	-27.6	0	0	0	111.6	T204 R205 R211 K212	T204-D208 PolarHBondContact O-N 2.83Å; R205-D208 PolarHBondContact O-N 2.97Å; D208-R211 PolarHBondContact O-N 2.87Å; D208-K212 VanDerWaalsContact O-CG 3.29Å; D208-K212 WeakPolarHBondContact O-CG 3.26Å; D208-K212 PolarHBondContact O-N 2.69Å
209	I	91.7	Very high	85.4	Confident	7 Å²	7	61.2 Å²	61.2	4%	0.036	32%	0.32	C	S	.	.	H	α-helix	trans	-61.2	-51.1	175.9	-67.5	160.4	0	0	0	110.1	R170 L193 L199 R205 L206 R211 K212 L213	R170-I209 HydrophobicContact CB-CD1 4.3Å; R170-I209 HydrophobicContact CB-CG1 3.91Å; R170-I209 HydrophobicContact CB-CG2 4.42Å; R170-I209 HydrophobicContact CG-CD1 3.71Å; R170-I209 HydrophobicContact CG-CG1 3.9Å; L193-I209 HydrophobicContact CD1-CG2 4.25Å; L193-I209 HydrophobicContact CD2-CG2 4.1Å; L199-I209 HydrophobicContact CD1-CD1 3.78Å; R205-I209 WeakPolarHBondContact O-CD1 3.39Å; R205-I209 WeakPolarHBondContact O-CG1 3.24Å; R205-I209 PolarHBondContact O-N 2.84Å; L206-I209 PolarHBondContact O-N 3.27Å; I209-R211 VanDerWaalsContact C-N 3.28Å; I209-R211 PolarHBondContact O-N 2.62Å; I209-K212 PolarHBondContact O-N 2.75Å; I209-K212 VanDerWaalsContact O-N 3.16Å; I209-L213 HydrophobicContact CG2-CD1 3.82Å; I209-L213 HydrophobicContact CG2-CG 4.41Å; I209-L213 WeakPolarHBondContact O-CG 3.36Å; I209-L213 PolarHBondContact O-N 2.93Å
210	A	92.3	Very high	85.5	Confident	11 Å²	11	63.7 Å²	63.7	9%	0.091	35%	0.35	C	S	.	.	H	α-helix	trans	-53.6	-48.7	176.2	0	0	0	0	0	110.4	L193 L206 L207 K212 L213 T214 V421	L193-A210 HydrophobicContact CD1-CB 4.08Å; L206-A210 WeakPolarHBondContact O-CB 3.46Å; L206-A210 PolarHBondContact O-N 2.87Å; L207-A210 PolarHBondContact O-N 2.8Å; A210-K212 PolarHBondContact O-N 3.19Å; A210-L213 PolarHBondContact O-N 2.78Å; A210-T214 WeakPolarHBondContact O-CB 3.4Å; A210-T214 VanDerWaalsContact O-CG2 3.23Å; A210-T214 WeakPolarHBondContact O-CG2 3.35Å; A210-T214 PolarHBondContact O-N 2.64Å; A210-T214 PolarHBondContact O-OG1 3.08Å; A210-V421 HydrophobicContact CB-CG1 4.23Å
211	R	89.9	Confident	86.4	Confident	94 Å²	94	67.9 Å²	67.9	36%	0.355	35%	0.35	S	S	.	.	H	α-helix	trans	-61.2	-41.7	178.6	-176.5	179.7	126.8	165.6	-11.5	113.1	L207 D208 I209 G215 G216 D226	L207-R211 VanDerWaalsContact O-CB 3.32Å; L207-R211 WeakPolarHBondContact O-CB 3.35Å; L207-R211 PolarHBondContact O-N 2.77Å; D208-R211 PolarHBondContact O-N 2.87Å; I209-R211 VanDerWaalsContact C-N 3.28Å; I209-R211 PolarHBondContact O-N 2.62Å; R211-G215 CarbonylContact O-C 3.6Å; R211-G215 WeakPolarHBondContact O-CA 3.48Å; R211-G215 PolarHBondContact O-N 2.79Å; R211-G216 PolarHBondContact O-N 3.43Å; R211-D226 IonicContact CZ-OD1 3.86Å; R211-D226 VanDerWaalsContact CZ-OD1 3.22Å; R211-D226 IonicContact NE-OD1 2.91Å; R211-D226 IonicContact NH1-OD1 3.63Å; R211-D226 PolarHBondContact NH1-OD1 3.34Å
212	K	91.6	Very high	86.9	Confident	88 Å²	88	68 Å²	68	38%	0.383	35%	0.346	S	S	.	.	H	α-helix	trans	-61.1	-46.2	177.8	-74.8	175.7	-174.2	-164.9	0	111	E171 D208 I209 A210 K414	E171-K212 IonicContact OE1-NZ 3.22Å; E171-K212 PolarHBondContact OE1-NZ 2.8Å; E171-K212 WeakPolarHBondContact OE2-CD 3.11Å; E171-K212 WeakPolarHBondContact OE2-CE 3.44Å; E171-K212 IonicContact OE2-NZ 3.98Å; E171-K212 PolarHBondContact OE2-NZ 3.36Å; D208-K212 VanDerWaalsContact O-CG 3.29Å; D208-K212 WeakPolarHBondContact O-CG 3.26Å; D208-K212 PolarHBondContact O-N 2.69Å; I209-K212 PolarHBondContact O-N 2.75Å; I209-K212 VanDerWaalsContact O-N 3.16Å; A210-K212 PolarHBondContact O-N 3.19Å; K212-K414 WeakPolarHBondContact O-CB 3.46Å
213	L	95	Very high	87	Confident	0 Å²	0	66.1 Å²	66.1	0%	0	34%	0.339	C	S	.	.	H	α-helix	trans	-76.6	-29.9	-176.4	-58.9	176.4	0	0	0	113.3	I162 L173 L191 L193 I209 A210 K414 W415	I162-L213 HydrophobicContact CG1-CD1 4.42Å; I162-L213 HydrophobicContact CG2-CD1 4.03Å; L173-L213 HydrophobicContact CD2-CB 4.27Å; L173-L213 HydrophobicContact CD2-CD1 4.46Å; L173-L213 HydrophobicContact CD2-CD2 3.97Å; L173-L213 HydrophobicContact CD2-CG 4.45Å; L173-L213 HydrophobicContact CG-CB 4.39Å; L173-L213 HydrophobicContact CG-CD2 3.99Å; L191-L213 HydrophobicContact CD2-CB 4.15Å; L191-L213 HydrophobicContact CD2-CD1 4.42Å; L193-L213 HydrophobicContact CD2-CD1 3.98Å; I209-L213 HydrophobicContact CG2-CD1 3.82Å; I209-L213 HydrophobicContact CG2-CG 4.41Å; I209-L213 WeakPolarHBondContact O-CG 3.36Å; I209-L213 PolarHBondContact O-N 2.93Å; A210-L213 PolarHBondContact O-N 2.78Å; L213-K414 WeakPolarHBondContact O-CA 3.32Å; L213-K414 WeakPolarHBondContact O-CB 3.36Å; L213-W415 PolarHBondContact O-N 2.83Å
214	T	93.8	Very high	86.8	Confident	3 Å²	3	67.7 Å²	67.7	2%	0.018	34%	0.337	C	S	.	.	H	α-helix	trans	-97.3	-4.7	178.7	71.7	0	0	0	0	114.1	L191 A210 G216 I217 V218 W415 L416 F418 V421	L191-T214 HydrophobicContact CD2-CG2 3.79Å; A210-T214 WeakPolarHBondContact O-CB 3.4Å; A210-T214 VanDerWaalsContact O-CG2 3.23Å; A210-T214 WeakPolarHBondContact O-CG2 3.35Å; A210-T214 PolarHBondContact O-N 2.64Å; A210-T214 PolarHBondContact O-OG1 3.08Å; T214-G216 PolarHBondContact O-N 3.02Å; T214-G216 PolarHBondContact OG1-N 3.08Å; T214-I217 WeakPolarHBondContact CB-O 3.18Å; T214-I217 PolarHBondContact O-N 2.89Å; T214-V218 HydrophobicContact CG2-CG2 3.97Å; T214-W415 WeakPolarHBondContact CA-O 3.46Å; T214-L416 WeakPolarHBondContact O-CD2 3.22Å; T214-F418 HydrophobicContact CG2-CB 4.4Å; T214-F418 HydrophobicContact CG2-CD2 3.72Å; T214-F418 HydrophobicContact CG2-CE2 4.49Å; T214-F418 HydrophobicContact CG2-CG 4.44Å; T214-V421 HydrophobicContact CG2-CG2 3.94Å
215	G	89.2	Confident	86.3	Confident	25 Å²	25	66.9 Å²	66.9	26%	0.258	33%	0.329	S	S	.	.	T	Hydrogen-bonded Turn	trans	63.3	15.9	-170.3	0	0	0	0	0	114.6	R211 I217	R211-G215 CarbonylContact O-C 3.6Å; R211-G215 WeakPolarHBondContact O-CA 3.48Å; R211-G215 PolarHBondContact O-N 2.79Å; G215-I217 VanDerWaalsContact C-N 3.35Å
216	G	86.9	Confident	85.3	Confident	2 Å²	2	62.8 Å²	62.8	2%	0.021	32%	0.316	C	S	.	.	T	Hydrogen-bonded Turn	trans	81.6	9.9	-176.1	0	0	0	0	0	114.5	R211 T214 R222 S223	R211-G216 PolarHBondContact O-N 3.43Å; T214-G216 PolarHBondContact O-N 3.02Å; T214-G216 PolarHBondContact OG1-N 3.08Å; G216-R222 CarbonylContact O-C 3.48Å; G216-R222 WeakPolarHBondContact O-CA 3.48Å; G216-S223 PolarHBondContact O-N 2.9Å
217	I	90.4	Very high	84.1	Confident	32 Å²	32	70.8 Å²	70.8	16%	0.164	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	122.5	177.8	-62.5	173.2	0	0	0	109.2	T214 G215 R221 R222 L416	T214-I217 WeakPolarHBondContact CB-O 3.18Å; T214-I217 PolarHBondContact O-N 2.89Å; G215-I217 VanDerWaalsContact C-N 3.35Å; I217-R221 WeakPolarHBondContact CA-O 3.35Å; I217-R222 HydrophobicContact CD1-CG 4.38Å; I217-R222 HydrophobicContact CG1-CG 3.83Å; I217-L416 HydrophobicContact CD1-CD1 4.48Å; I217-L416 HydrophobicContact CD1-CD2 4.36Å
218	V	91.9	Very high	82.8	Confident	38 Å²	38	73.1 Å²	73.1	23%	0.23	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	132.8	172.8	-178.8	0	0	0	0	107.5	T214 G220 R221 S419 V421	T214-V218 HydrophobicContact CG2-CG2 3.97Å; V218-G220 PolarHBondContact O-N 3.21Å; V218-R221 PolarHBondContact N-O 3.49Å; V218-R221 WeakPolarHBondContact O-CA 3.43Å; V218-R221 WeakPolarHBondContact O-CB 3.31Å; V218-R221 PolarHBondContact O-N 3.47Å; V218-S419 WeakPolarHBondContact CG1-O 3.22Å; V218-V421 HydrophobicContact CG1-CG2 4.07Å; V218-V421 HydrophobicContact CG2-CG2 3.7Å
219	H	90.3	Very high	81.6	Confident	104 Å²	104	71 Å²	71	48%	0.481	34%	0.341	S	S	.	.	T	Hydrogen-bonded Turn	trans	55.1	34	-174.9	-154.9	79	0	0	0	113.4	R221 F418 S419	H219-R221 PolarHBondContact O-N 3.42Å; H219-F418 PolarHBondContact N-O 2.98Å; H219-S419 VanDerWaalsContact CB-O 3.28Å; H219-S419 WeakPolarHBondContact CB-O 3.29Å; H219-S419 PolarHBondContact N-O 3.15Å
220	G	86.2	Confident	80.3	Confident	69 Å²	69	75 Å²	75	71%	0.711	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	67.6	-0.5	-172.7	0	0	0	0	0	115	V218	V218-G220 PolarHBondContact O-N 3.21Å
221	R	86.8	Confident	79	Confident	187 Å²	187	81.6 Å²	81.6	71%	0.706	39%	0.385	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-96	132.4	179.8	-61.1	179.1	-176.3	179.4	2.3	110.4	I217 V218 H219	I217-R221 WeakPolarHBondContact CA-O 3.35Å; V218-R221 PolarHBondContact N-O 3.49Å; V218-R221 WeakPolarHBondContact O-CA 3.43Å; V218-R221 WeakPolarHBondContact O-CB 3.31Å; V218-R221 PolarHBondContact O-N 3.47Å; H219-R221 PolarHBondContact O-N 3.42Å
222	R	82.8	Confident	77.7	Confident	191 Å²	191	82.8 Å²	82.8	72%	0.721	39%	0.393	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-81.5	139.9	175.8	-71.8	-178.9	-175.1	-162.8	3.4	111.4	G216 I217	G216-R222 CarbonylContact O-C 3.48Å; G216-R222 WeakPolarHBondContact O-CA 3.48Å; I217-R222 HydrophobicContact CD1-CG 4.38Å; I217-R222 HydrophobicContact CG1-CG 3.83Å
223	S	74.3	Confident	76.4	Confident	43 Å²	43	85.6 Å²	85.6	30%	0.301	41%	0.405	S	S	.	.	P	Polyproline II helix	trans	-59.5	138.7	175.4	177.2	0	0	0	0	112.3	G216 I225 D226	G216-S223 PolarHBondContact O-N 2.9Å; S223-I225 PolarHBondContact O-N 3.14Å; S223-I225 PolarHBondContact OG-N 3.45Å; S223-D226 WeakPolarHBondContact O-CB 3.2Å; S223-D226 PolarHBondContact O-N 2.99Å; S223-D226 VanDerWaalsContact O-N 3.08Å
224	H	67	Low	74.9	Confident	129 Å²	129	95 Å²	95	60%	0.597	44%	0.44	S	S	*	.	H	α-helix	trans	-59.3	-29.4	175.6	-79.9	-84.7	0	0	0	113.2	D226 R227 Y228	H224-D226 PolarHBondContact O-N 3.23Å; H224-R227 WeakPolarHBondContact O-CB 3.42Å; H224-R227 PolarHBondContact O-N 2.88Å; H224-Y228 PolarHBondContact O-N 3.45Å
225	I	66.2	Low	73.5	Confident	77 Å²	77	97.2 Å²	97.2	40%	0.395	45%	0.451	S	S	.	.	H	α-helix	trans	-60.2	-35	177.9	-61.3	172.5	0	0	0	110	S223 R227 Y228 A229	S223-I225 PolarHBondContact O-N 3.14Å; S223-I225 PolarHBondContact OG-N 3.45Å; I225-R227 VanDerWaalsContact C-N 3.35Å; I225-Y228 PolarHBondContact O-N 3.15Å; I225-A229 VanDerWaalsContact O-CB 3.26Å; I225-A229 WeakPolarHBondContact O-CB 3.34Å; I225-A229 PolarHBondContact O-N 2.91Å
226	D	62.6	Low	72.2	Confident	26 Å²	26	98.1 Å²	98.1	14%	0.139	46%	0.456	C	S	.	.	H	α-helix	trans	-70.2	-35	177.1	-62.9	-20.9	0	0	0	111.3	R211 S223 H224 Y228 N230	R211-D226 IonicContact CZ-OD1 3.86Å; R211-D226 VanDerWaalsContact CZ-OD1 3.22Å; R211-D226 IonicContact NE-OD1 2.91Å; R211-D226 IonicContact NH1-OD1 3.63Å; R211-D226 PolarHBondContact NH1-OD1 3.34Å; S223-D226 WeakPolarHBondContact O-CB 3.2Å; S223-D226 PolarHBondContact O-N 2.99Å; S223-D226 VanDerWaalsContact O-N 3.08Å; H224-D226 PolarHBondContact O-N 3.23Å; D226-Y228 VanDerWaalsContact C-N 3.34Å; D226-N230 WeakPolarHBondContact O-CB 3.38Å; D226-N230 PolarHBondContact O-N 3.46Å; D226-N230 PolarHBondContact O-ND2 3.44Å
227	R	61.3	Low	71.2	Confident	186 Å²	186	105.7 Å²	105.7	70%	0.702	49%	0.488	S	S	*	.	H	α-helix	trans	-64	-41.8	174.8	-157.9	-175.9	-78.6	162.4	-4.2	110.6	H224 I225 R231	H224-R227 WeakPolarHBondContact O-CB 3.42Å; H224-R227 PolarHBondContact O-N 2.88Å; I225-R227 VanDerWaalsContact C-N 3.35Å; R227-R231 WeakPolarHBondContact O-CB 3.42Å; R227-R231 PolarHBondContact O-N 2.84Å; R227-R231 VanDerWaalsContact O-N 3.07Å
228	Y	60.3	Low	69.9	Low	145 Å²	145	108.8 Å²	108.8	57%	0.569	50%	0.504	S	S	*	.	H	α-helix	trans	-69.6	-52	175.1	-96.3	-80.1	0	0	0	112.8	H224 I225 D226 N230 R231 F232	H224-Y228 PolarHBondContact O-N 3.45Å; I225-Y228 PolarHBondContact O-N 3.15Å; D226-Y228 VanDerWaalsContact C-N 3.34Å; Y228-N230 VanDerWaalsContact C-N 3.3Å; Y228-N230 PolarHBondContact O-N 3.45Å; Y228-R231 WeakPolarHBondContact O-CB 3.38Å; Y228-R231 PolarHBondContact O-N 3.22Å; Y228-R231 VanDerWaalsContact O-N 3.08Å; Y228-F232 AromaticContact CD1-CE2 3.92Å; Y228-F232 HydrophobicContact CD1-CE2 3.92Å; Y228-F232 WeakPolarHBondContact O-CD2 3.38Å; Y228-F232 PolarHBondContact O-N 3.39Å
229	A	62.5	Low	68.3	Low	34 Å²	34	107.5 Å²	107.5	28%	0.281	50%	0.498	S	S	.	.	H	α-helix	trans	-60.7	-38.7	-179.8	0	0	0	0	0	112	I225 F232 K233	I225-A229 VanDerWaalsContact O-CB 3.26Å; I225-A229 WeakPolarHBondContact O-CB 3.34Å; I225-A229 PolarHBondContact O-N 2.91Å; A229-F232 PolarHBondContact O-N 3.04Å; A229-K233 WeakPolarHBondContact O-CG 3.37Å; A229-K233 PolarHBondContact O-N 3.3Å
230	N	64.6	Low	67	Low	91 Å²	91	107.6 Å²	107.6	49%	0.487	50%	0.502	S	S	.	.	H	α-helix	trans	-70.7	-34.7	174.9	-68.1	-26.6	0	0	0	112.1	D226 Y228 K233 R234	D226-N230 WeakPolarHBondContact O-CB 3.38Å; D226-N230 PolarHBondContact O-N 3.46Å; D226-N230 PolarHBondContact O-ND2 3.44Å; Y228-N230 VanDerWaalsContact C-N 3.3Å; Y228-N230 PolarHBondContact O-N 3.45Å; N230-K233 PolarHBondContact O-N 2.92Å; N230-R234 WeakPolarHBondContact O-CB 3.49Å; N230-R234 PolarHBondContact O-N 3Å
231	R	65.3	Low	65.9	Low	150 Å²	150	109.2 Å²	109.2	57%	0.566	50%	0.498	S	S	*	.	H	α-helix	trans	-60.1	-46.8	171.6	-174.1	179	-179.6	178.6	1.5	110.6	R227 Y228 Q235	R227-R231 WeakPolarHBondContact O-CB 3.42Å; R227-R231 PolarHBondContact O-N 2.84Å; R227-R231 VanDerWaalsContact O-N 3.07Å; Y228-R231 WeakPolarHBondContact O-CB 3.38Å; Y228-R231 PolarHBondContact O-N 3.22Å; Y228-R231 VanDerWaalsContact O-N 3.08Å; R231-Q235 WeakPolarHBondContact O-CB 3.5Å; R231-Q235 PolarHBondContact O-N 3.46Å
232	F	61.9	Low	64.5	Low	119 Å²	119	102.8 Å²	102.8	52%	0.522	48%	0.48	S	S	.	.	H	α-helix	trans	-63.6	-47	176	-74.4	-70.5	0	0	0	112.7	Y228 A229 Q235 A236	Y228-F232 AromaticContact CD1-CE2 3.92Å; Y228-F232 HydrophobicContact CD1-CE2 3.92Å; Y228-F232 WeakPolarHBondContact O-CD2 3.38Å; Y228-F232 PolarHBondContact O-N 3.39Å; A229-F232 PolarHBondContact O-N 3.04Å; F232-Q235 PolarHBondContact O-N 2.92Å; F232-A236 VanDerWaalsContact O-CB 3.24Å; F232-A236 WeakPolarHBondContact O-CB 3.24Å; F232-A236 PolarHBondContact O-N 2.98Å
233	K	64.2	Low	63.2	Low	147 Å²	147	99.4 Å²	99.4	64%	0.639	47%	0.472	S	S	*	.	H	α-helix	trans	-62.1	-46.7	177.8	-77.9	-177.3	177.6	-176.1	0	113	A229 N230 Q235 A236 K237	A229-K233 WeakPolarHBondContact O-CG 3.37Å; A229-K233 PolarHBondContact O-N 3.3Å; N230-K233 PolarHBondContact O-N 2.92Å; K233-Q235 PolarHBondContact O-N 3.08Å; K233-A236 PolarHBondContact O-N 3.11Å; K233-K237 PolarHBondContact O-N 3.14Å
234	R	64	Low	62.2	Low	196 Å²	196	105.3 Å²	105.3	74%	0.74	49%	0.494	S	S	*	.	H	α-helix	trans	-60.5	-41.3	179.1	-167.9	178	-169.4	176.9	3.1	110.1	N230 L238	N230-R234 WeakPolarHBondContact O-CB 3.49Å; N230-R234 PolarHBondContact O-N 3Å; R234-L238 WeakPolarHBondContact O-CG 3.02Å; R234-L238 PolarHBondContact O-N 3.27Å
235	Q	65.4	Low	61.5	Low	51 Å²	51	106.6 Å²	106.6	24%	0.238	51%	0.505	C	S	.	.	H	α-helix	trans	-83.4	-25.9	-176.6	-152.3	176.5	0	0	0	112	R231 F232 K233 L238 A239 R255	R231-Q235 WeakPolarHBondContact O-CB 3.5Å; R231-Q235 PolarHBondContact O-N 3.46Å; F232-Q235 PolarHBondContact O-N 2.92Å; K233-Q235 PolarHBondContact O-N 3.08Å; Q235-L238 HydrophobicContact CG-CD1 4.45Å; Q235-L238 PolarHBondContact O-N 3.25Å; Q235-A239 WeakPolarHBondContact O-CB 3.31Å; Q235-A239 PolarHBondContact O-N 2.86Å; Q235-R255 VanDerWaalsContact CD-CZ 3.48Å; Q235-R255 PolarHBondContact O-NH2 3.09Å
236	A	60.6	Low	61	Low	44 Å²	44	106 Å²	106	36%	0.364	50%	0.502	S	S	.	.	H	α-helix	trans	-63.3	-45.4	165.7	0	0	0	0	0	111.2	F232 K233 L238 A239 D240	F232-A236 VanDerWaalsContact O-CB 3.24Å; F232-A236 WeakPolarHBondContact O-CB 3.24Å; F232-A236 PolarHBondContact O-N 2.98Å; K233-A236 PolarHBondContact O-N 3.11Å; A236-L238 VanDerWaalsContact C-N 3.31Å; A236-L238 PolarHBondContact O-N 3.15Å; A236-A239 CarbonylContact O-C 3.58Å; A236-A239 WeakPolarHBondContact O-CA 3.04Å; A236-A239 WeakPolarHBondContact O-CB 3.16Å; A236-A239 PolarHBondContact O-N 3.06Å; A236-D240 PolarHBondContact O-N 3.27Å
237	K	67.7	Low	61	Low	160 Å²	160	107.8 Å²	107.8	70%	0.696	52%	0.515	S	S	*	.	H	α-helix	trans	-58.3	-40.2	170.5	-88.5	-171.9	171.6	-170.9	0	113.2	K233 A239 D240 T241	K233-K237 PolarHBondContact O-N 3.14Å; K237-A239 VanDerWaalsContact C-N 3.32Å; K237-D240 PolarHBondContact O-N 3.46Å; K237-T241 PolarHBondContact O-N 3.01Å; K237-T241 VanDerWaalsContact O-N 3.15Å; K237-T241 PolarHBondContact O-OG1 3.47Å
238	L	62.7	Low	61	Low	97 Å²	97	102.5 Å²	102.5	51%	0.508	51%	0.505	S	S	.	.	H	α-helix	trans	-63.9	-39	173.9	-73.6	166.7	0	0	0	111.1	R234 Q235 A236 T241 T242	R234-L238 WeakPolarHBondContact O-CG 3.02Å; R234-L238 PolarHBondContact O-N 3.27Å; Q235-L238 HydrophobicContact CG-CD1 4.45Å; Q235-L238 PolarHBondContact O-N 3.25Å; A236-L238 VanDerWaalsContact C-N 3.31Å; A236-L238 PolarHBondContact O-N 3.15Å; L238-T241 WeakPolarHBondContact CA-OG1 3.1Å; L238-T241 PolarHBondContact O-N 2.95Å; L238-T241 PolarHBondContact O-OG1 2.93Å; L238-T242 WeakPolarHBondContact O-CB 3.42Å; L238-T242 WeakPolarHBondContact O-CG2 3.38Å; L238-T242 PolarHBondContact O-N 3.04Å; L238-T242 PolarHBondContact O-OG1 2.9Å
239	A	57.1	Low	61.3	Low	12 Å²	12	100.3 Å²	100.3	10%	0.099	50%	0.503	C	S	.	.	H	α-helix	trans	-67.3	-42.2	175.1	0	0	0	0	0	112.3	Q235 A236 K237 T241 T242 H243 L251	Q235-A239 WeakPolarHBondContact O-CB 3.31Å; Q235-A239 PolarHBondContact O-N 2.86Å; A236-A239 CarbonylContact O-C 3.58Å; A236-A239 WeakPolarHBondContact O-CA 3.04Å; A236-A239 WeakPolarHBondContact O-CB 3.16Å; A236-A239 PolarHBondContact O-N 3.06Å; K237-A239 VanDerWaalsContact C-N 3.32Å; A239-T241 PolarHBondContact O-N 3.2Å; A239-T242 WeakPolarHBondContact CA-OG1 3.4Å; A239-T242 CarbonylContact O-C 3.59Å; A239-T242 PolarHBondContact O-N 2.89Å; A239-T242 PolarHBondContact O-OG1 3.3Å; A239-H243 PolarHBondContact O-CD2 2.81Å; A239-H243 PolarHBondContact O-N 2.83Å; A239-L251 HydrophobicContact CB-CD2 4.38Å
240	D	63.7	Low	61.4	Low	105 Å²	105	104.3 Å²	104.3	56%	0.561	52%	0.516	S	S	*	.	H	α-helix	trans	-59.3	-29.3	175.6	-70.9	-21.9	0	0	0	112.7	A236 K237 H243	A236-D240 PolarHBondContact O-N 3.27Å; K237-D240 PolarHBondContact O-N 3.46Å; D240-H243 WeakPolarHBondContact CA-CD2 3.29Å; D240-H243 WeakPolarHBondContact CA-NE2 3.44Å; D240-H243 IonicContact OD1-CD2 3.74Å; D240-H243 IonicContact OD1-CE1 3.73Å; D240-H243 IonicContact OD1-NE2 2.95Å; D240-H243 PolarHBondContact OD1-NE2 3.08Å
241	T	63.7	Low	61.3	Low	103 Å²	103	102.6 Å²	102.6	63%	0.632	51%	0.506	S	S	*	.	H	α-helix	trans	-87.9	-17.2	174.8	45.6	0	0	0	0	113.5	K237 L238 A239	K237-T241 PolarHBondContact O-N 3.01Å; K237-T241 VanDerWaalsContact O-N 3.15Å; K237-T241 PolarHBondContact O-OG1 3.47Å; L238-T241 WeakPolarHBondContact CA-OG1 3.1Å; L238-T241 PolarHBondContact O-N 2.95Å; L238-T241 PolarHBondContact O-OG1 2.93Å; A239-T241 PolarHBondContact O-N 3.2Å
242	T	57.2	Low	61.1	Low	53 Å²	53	96.1 Å²	96.1	33%	0.325	48%	0.483	S	S	.	.	H	α-helix	trans	-110.6	4.5	-178.7	59.1	0	0	0	0	115.1	L238 A239 H244 L245 I246	L238-T242 WeakPolarHBondContact O-CB 3.42Å; L238-T242 WeakPolarHBondContact O-CG2 3.38Å; L238-T242 PolarHBondContact O-N 3.04Å; L238-T242 PolarHBondContact O-OG1 2.9Å; A239-T242 WeakPolarHBondContact CA-OG1 3.4Å; A239-T242 CarbonylContact O-C 3.59Å; A239-T242 PolarHBondContact O-N 2.89Å; A239-T242 PolarHBondContact O-OG1 3.3Å; T242-H244 PolarHBondContact O-N 3.12Å; T242-L245 PolarHBondContact O-N 2.85Å; T242-I246 HydrophobicContact CG2-CD1 4.31Å
243	H	54.1	Low	60.9	Low	120 Å²	120	93 Å²	93	56%	0.556	48%	0.478	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.4	-19	-177.5	-82.6	-48	0	0	0	114.9	A239 D240	A239-H243 PolarHBondContact O-CD2 2.81Å; A239-H243 PolarHBondContact O-N 2.83Å; D240-H243 WeakPolarHBondContact CA-CD2 3.29Å; D240-H243 WeakPolarHBondContact CA-NE2 3.44Å; D240-H243 IonicContact OD1-CD2 3.74Å; D240-H243 IonicContact OD1-CE1 3.73Å; D240-H243 IonicContact OD1-NE2 2.95Å; D240-H243 PolarHBondContact OD1-NE2 3.08Å
244	H	53.2	Low	60.6	Low	166 Å²	166	88.8 Å²	88.8	77%	0.769	47%	0.472	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.4	-11	-178.7	-43	-42.8	0	0	0	114.7	T242	T242-H244 PolarHBondContact O-N 3.12Å
245	L	53.9	Low	60.5	Low	156 Å²	156	82.9 Å²	82.9	82%	0.817	45%	0.449	S	S	*	.	T	Hydrogen-bonded Turn	trans	-140.8	-4.4	-165.1	-77.1	163.7	0	0	0	117.9	T242	T242-L245 PolarHBondContact O-N 2.85Å
246	I	55.8	Low	60.6	Low	66 Å²	66	83.8 Å²	83.8	34%	0.338	46%	0.455	S	S	.	.			trans	-113	116.1	-174.1	-52.5	179	0	0	0	111.4	T242 E250 L251	T242-I246 HydrophobicContact CG2-CD1 4.31Å; I246-E250 HydrophobicContact CG2-CB 3.58Å; I246-L251 HydrophobicContact CB-CG 4.49Å; I246-L251 HydrophobicContact CG2-CG 4.02Å
247	P	61.8	Low	61.1	Low	63 Å²	63	85.6 Å²	85.6	41%	0.409	46%	0.464	S	S	.	.			trans	-61.9	147.6	175	22.1	-29.5	0	0	0	111.6	N249 E250 L251	P247-N249 PolarHBondContact O-N 3.45Å; P247-E250 HydrophobicContact CG-CB 4.41Å; P247-E250 HydrophobicContact CG-CG 4.11Å; P247-E250 PolarHBondContact O-N 3.46Å; P247-L251 PolarHBondContact O-N 3.19Å
248	P	62	Low	61.5	Low	75 Å²	75	81.8 Å²	81.8	49%	0.487	46%	0.462	S	S	.	.	H	α-helix	trans	-53.7	-32.5	-174.8	-25.3	31.7	0	0	0	114.3	L251 I252 L268	P248-L251 WeakPolarHBondContact O-CB 3.31Å; P248-L251 PolarHBondContact O-N 3.09Å; P248-I252 WeakPolarHBondContact O-CG1 3.46Å; P248-I252 PolarHBondContact O-N 3.43Å; P248-L268 HydrophobicContact CB-CD1 3.74Å
249	N	65.2	Low	62.2	Low	99 Å²	99	83.6 Å²	83.6	53%	0.529	48%	0.476	S	S	.	.	H	α-helix	trans	-63.4	-40.6	178.9	-65.2	-10.6	0	0	0	112.2	P247 I252 A253 N265	P247-N249 PolarHBondContact O-N 3.45Å; N249-I252 PolarHBondContact O-N 3.31Å; N249-A253 WeakPolarHBondContact O-CB 3.35Å; N249-A253 PolarHBondContact O-N 3.14Å; N249-N265 PolarHBondContact OD1-OD1 2.63Å
250	E	64.4	Low	63	Low	117 Å²	117	85.3 Å²	85.3	55%	0.547	49%	0.487	S	S	.	.	H	α-helix	trans	-71	-36.2	176.3	-76.3	-175.9	176.9	0	0	111.3	I246 P247 I252 A253 A254	I246-E250 HydrophobicContact CG2-CB 3.58Å; P247-E250 HydrophobicContact CG-CB 4.41Å; P247-E250 HydrophobicContact CG-CG 4.11Å; P247-E250 PolarHBondContact O-N 3.46Å; E250-I252 VanDerWaalsContact C-N 3.32Å; E250-I252 PolarHBondContact O-N 3.14Å; E250-A253 PolarHBondContact O-N 3.38Å; E250-A254 WeakPolarHBondContact O-CB 3.29Å; E250-A254 PolarHBondContact O-N 2.87Å
251	L	62.8	Low	63.7	Low	55 Å²	55	82.5 Å²	82.5	29%	0.288	47%	0.471	S	S	.	.	H	α-helix	trans	-60.2	-41.6	172	-91.7	161.8	0	0	0	111.7	A239 I246 P247 P248 R255	A239-L251 HydrophobicContact CB-CD2 4.38Å; I246-L251 HydrophobicContact CB-CG 4.49Å; I246-L251 HydrophobicContact CG2-CG 4.02Å; P247-L251 PolarHBondContact O-N 3.19Å; P248-L251 WeakPolarHBondContact O-CB 3.31Å; P248-L251 PolarHBondContact O-N 3.09Å; L251-R255 WeakPolarHBondContact O-CB 3.42Å; L251-R255 WeakPolarHBondContact O-CG 3.3Å; L251-R255 PolarHBondContact O-N 3.02Å
252	I	60.8	Low	64.3	Low	15 Å²	15	84.1 Å²	84.1	8%	0.077	47%	0.471	C	S	.	.	H	α-helix	trans	-65.9	-47.1	174.8	-73.1	170.8	0	0	0	110.7	P248 N249 E250 A254 R255 L256 H261 T264 N265 L268	P248-I252 WeakPolarHBondContact O-CG1 3.46Å; P248-I252 PolarHBondContact O-N 3.43Å; N249-I252 PolarHBondContact O-N 3.31Å; E250-I252 VanDerWaalsContact C-N 3.32Å; E250-I252 PolarHBondContact O-N 3.14Å; I252-A254 PolarHBondContact O-N 3.15Å; I252-R255 PolarHBondContact O-N 3.36Å; I252-L256 HydrophobicContact CG2-CD1 4.25Å; I252-L256 PolarHBondContact O-N 3.39Å; I252-H261 HydrophobicContact CG2-CB 4.31Å; I252-T264 HydrophobicContact CD1-CG2 3.52Å; I252-T264 HydrophobicContact CG1-CG2 3.79Å; I252-T264 HydrophobicContact CG2-CG2 4.12Å; I252-N265 WeakPolarHBondContact CD1-OD1 3.4Å; I252-L268 HydrophobicContact CD1-CD1 3.25Å; I252-L268 HydrophobicContact CD1-CG 3.88Å; I252-L268 HydrophobicContact CG1-CD1 4.3Å
253	A	58.4	Low	65.1	Low	52 Å²	52	86.2 Å²	86.2	43%	0.43	48%	0.484	S	S	.	.	H	α-helix	trans	-58.4	-38.3	-178.4	0	0	0	0	0	112.5	N249 E250 R255 H261	N249-A253 WeakPolarHBondContact O-CB 3.35Å; N249-A253 PolarHBondContact O-N 3.14Å; E250-A253 PolarHBondContact O-N 3.38Å; A253-R255 VanDerWaalsContact C-N 3.32Å; A253-R255 PolarHBondContact O-N 3.07Å; A253-H261 VanDerWaalsContact CA-CE1 3.46Å; A253-H261 WeakPolarHBondContact CA-CE1 3.28Å; A253-H261 WeakPolarHBondContact CA-NE2 3.4Å
254	A	57.9	Low	66	Low	60 Å²	60	82.1 Å²	82.1	50%	0.496	47%	0.467	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.1	-15	178.6	0	0	0	0	0	114.5	E250 I252	E250-A254 WeakPolarHBondContact O-CB 3.29Å; E250-A254 PolarHBondContact O-N 2.87Å; I252-A254 PolarHBondContact O-N 3.15Å
255	R	61.8	Low	67.2	Low	72 Å²	72	76.4 Å²	76.4	27%	0.272	44%	0.443	S	S	.	.	T	Hydrogen-bonded Turn	trans	-113.9	-32.3	-168.8	-67.2	-65.6	-173.9	126.3	15.5	114.8	Q235 L251 I252 A253	Q235-R255 VanDerWaalsContact CD-CZ 3.48Å; Q235-R255 PolarHBondContact O-NH2 3.09Å; L251-R255 WeakPolarHBondContact O-CB 3.42Å; L251-R255 WeakPolarHBondContact O-CG 3.3Å; L251-R255 PolarHBondContact O-N 3.02Å; I252-R255 PolarHBondContact O-N 3.36Å; A253-R255 VanDerWaalsContact C-N 3.32Å; A253-R255 PolarHBondContact O-N 3.07Å
256	L	67.4	Low	68.5	Low	69 Å²	69	75.5 Å²	75.5	36%	0.361	43%	0.432	S	S	.	.	S	Bend	trans	-115.2	152.5	-173.8	-71.3	164.6	0	0	0	110.6	I252 C260 H261 T264	I252-L256 HydrophobicContact CG2-CD1 4.25Å; I252-L256 PolarHBondContact O-N 3.39Å; L256-C260 HydrophobicContact CB-CB 4.09Å; L256-H261 PolarHBondContact O-NE2 3.38Å; L256-T264 HydrophobicContact CD1-CG2 3.7Å; L256-T264 VanDerWaalsContact CD1-OG1 3.23Å; L256-T264 WeakPolarHBondContact CD1-OG1 3.45Å
257	P	71.9	Confident	69.6	Low	83 Å²	83	78 Å²	78	54%	0.539	44%	0.441	S	S	.	.			trans	-58.1	149.9	168.9	-20.3	31.9	0	0	0	111	V259 C260 H261	P257-V259 PolarHBondContact O-N 2.94Å; P257-C260 WeakPolarHBondContact O-CB 3.44Å; P257-C260 PolarHBondContact O-N 3.41Å; P257-H261 PolarHBondContact O-CD2 3.39Å; P257-H261 PolarHBondContact O-NE2 3.23Å
258	A	74.7	Confident	70.4	Confident	80 Å²	80	77.6 Å²	77.6	66%	0.661	44%	0.435	S	S	*	.	H	α-helix	trans	-51.6	-35.2	-179.2	0	0	0	0	0	113.5	C260 H261	A258-C260 PolarHBondContact O-N 3.42Å; A258-C260 VanDerWaalsContact O-N 3.17Å; A258-H261 PolarHBondContact O-N 3.32Å
259	V	78	Confident	71.3	Confident	134 Å²	134	78 Å²	78	81%	0.812	44%	0.436	S	S	*	.	H	α-helix	trans	-59	-27.5	177.7	-169.8	0	0	0	0	112.6	P257	P257-V259 PolarHBondContact O-N 2.94Å
260	C	73.5	Confident	72.1	Confident	49 Å²	49	79.8 Å²	79.8	33%	0.331	44%	0.436	S	S	.	.	H	α-helix	trans	-92.4	-19.3	-177.2	-58.5	0	0	0	0	113.5	L256 P257 A258 Q262 T263 T264	L256-C260 HydrophobicContact CB-CB 4.09Å; P257-C260 WeakPolarHBondContact O-CB 3.44Å; P257-C260 PolarHBondContact O-N 3.41Å; A258-C260 PolarHBondContact O-N 3.42Å; A258-C260 VanDerWaalsContact O-N 3.17Å; C260-Q262 VanDerWaalsContact C-N 3.33Å; C260-Q262 PolarHBondContact O-N 2.93Å; C260-T263 PolarHBondContact O-N 2.8Å; C260-T263 VanDerWaalsContact O-N 3.11Å; C260-T264 PolarHBondContact O-N 3.45Å; C260-T264 PolarHBondContact O-OG1 3.39Å
261	H	78.5	Confident	72.5	Confident	46 Å²	46	77.7 Å²	77.7	21%	0.213	43%	0.427	C	S	.	.	H	α-helix	trans	-57	-44.5	-168.9	-65.6	173.5	0	0	0	112.7	I252 A253 L256 P257 A258 T263 T264 N265	I252-H261 HydrophobicContact CG2-CB 4.31Å; A253-H261 VanDerWaalsContact CA-CE1 3.46Å; A253-H261 WeakPolarHBondContact CA-CE1 3.28Å; A253-H261 WeakPolarHBondContact CA-NE2 3.4Å; L256-H261 PolarHBondContact O-NE2 3.38Å; P257-H261 PolarHBondContact O-CD2 3.39Å; P257-H261 PolarHBondContact O-NE2 3.23Å; A258-H261 PolarHBondContact O-N 3.32Å; H261-T263 VanDerWaalsContact C-N 3.34Å; H261-T263 PolarHBondContact O-N 3.23Å; H261-T264 PolarHBondContact O-N 2.9Å; H261-N265 WeakPolarHBondContact O-CB 3.34Å; H261-N265 VanDerWaalsContact O-CG 3.31Å; H261-N265 PolarHBondContact O-N 3.12Å; H261-N265 PolarHBondContact O-ND2 2.62Å
262	Q	77.3	Confident	73.4	Confident	136 Å²	136	79.8 Å²	79.8	64%	0.636	44%	0.439	S	S	*	.	H	α-helix	trans	-62	-43.1	-179.6	-166.4	-175.2	18.6	0	0	111.7	C260 K266	C260-Q262 VanDerWaalsContact C-N 3.33Å; C260-Q262 PolarHBondContact O-N 2.93Å; Q262-K266 WeakPolarHBondContact O-CG 3.45Å; Q262-K266 PolarHBondContact O-N 3.26Å; Q262-K266 VanDerWaalsContact O-N 3.07Å
263	T	73.6	Confident	74.5	Confident	97 Å²	97	83.4 Å²	83.4	60%	0.595	46%	0.458	S	S	*	.	H	α-helix	trans	-67.9	-40.8	179.7	-44.3	0	0	0	0	111.2	C260 H261 K266 F267	C260-T263 PolarHBondContact O-N 2.8Å; C260-T263 VanDerWaalsContact O-N 3.11Å; H261-T263 VanDerWaalsContact C-N 3.34Å; H261-T263 PolarHBondContact O-N 3.23Å; T263-K266 PolarHBondContact O-N 3.01Å; T263-F267 WeakPolarHBondContact O-CB 3.39Å; T263-F267 PolarHBondContact O-N 3.23Å
264	T	74	Confident	75.4	Confident	34 Å²	34	83.6 Å²	83.6	21%	0.209	45%	0.452	C	S	.	.	H	α-helix	trans	-68.8	-41.1	178.5	-45.5	0	0	0	0	112.2	I252 L256 C260 H261 F267 L268	I252-T264 HydrophobicContact CD1-CG2 3.52Å; I252-T264 HydrophobicContact CG1-CG2 3.79Å; I252-T264 HydrophobicContact CG2-CG2 4.12Å; L256-T264 HydrophobicContact CD1-CG2 3.7Å; L256-T264 VanDerWaalsContact CD1-OG1 3.23Å; L256-T264 WeakPolarHBondContact CD1-OG1 3.45Å; C260-T264 PolarHBondContact O-N 3.45Å; C260-T264 PolarHBondContact O-OG1 3.39Å; H261-T264 PolarHBondContact O-N 2.9Å; T264-F267 WeakPolarHBondContact O-CB 3.49Å; T264-F267 PolarHBondContact O-N 3.18Å; T264-L268 PolarHBondContact O-N 3.09Å
265	N	78.2	Confident	76.4	Confident	47 Å²	47	85 Å²	85	25%	0.251	45%	0.45	S	S	.	.	H	α-helix	trans	-63.2	-42.1	175	-73.3	-20.4	0	0	0	111.4	N249 I252 H261 F267 L268 V269	N249-N265 PolarHBondContact OD1-OD1 2.63Å; I252-N265 WeakPolarHBondContact CD1-OD1 3.4Å; H261-N265 WeakPolarHBondContact O-CB 3.34Å; H261-N265 VanDerWaalsContact O-CG 3.31Å; H261-N265 PolarHBondContact O-N 3.12Å; H261-N265 PolarHBondContact O-ND2 2.62Å; N265-F267 VanDerWaalsContact C-N 3.31Å; N265-F267 PolarHBondContact O-N 3.05Å; N265-L268 PolarHBondContact O-N 3.42Å; N265-V269 WeakPolarHBondContact O-CG2 3.22Å; N265-V269 PolarHBondContact O-N 3.09Å
266	K	80.7	Confident	77.1	Confident	136 Å²	136	84 Å²	84	59%	0.591	46%	0.457	S	S	*	.	H	α-helix	trans	-58.9	-42.4	172.8	-75.9	176.6	179.7	179.8	0	111.9	Q262 T263 V269 Y270	Q262-K266 WeakPolarHBondContact O-CG 3.45Å; Q262-K266 PolarHBondContact O-N 3.26Å; Q262-K266 VanDerWaalsContact O-N 3.07Å; T263-K266 PolarHBondContact O-N 3.01Å; K266-V269 PolarHBondContact O-N 3.39Å; K266-Y270 WeakPolarHBondContact O-CB 3.35Å; K266-Y270 PolarHBondContact O-N 3.26Å
267	F	78.9	Confident	77.6	Confident	118 Å²	118	86.1 Å²	86.1	52%	0.518	47%	0.465	S	S	.	.	H	α-helix	trans	-65.8	-39.7	177.2	-176	-102.4	0	0	0	112.5	T263 T264 N265 Y270 M271	T263-F267 WeakPolarHBondContact O-CB 3.39Å; T263-F267 PolarHBondContact O-N 3.23Å; T264-F267 WeakPolarHBondContact O-CB 3.49Å; T264-F267 PolarHBondContact O-N 3.18Å; N265-F267 VanDerWaalsContact C-N 3.31Å; N265-F267 PolarHBondContact O-N 3.05Å; F267-Y270 HydrophobicContact CD2-CD1 4.45Å; F267-Y270 HydrophobicContact CE2-CD1 4.43Å; F267-Y270 WeakPolarHBondContact O-CB 3.35Å; F267-Y270 PolarHBondContact O-N 3.2Å; F267-M271 HydrophobicContact CD1-CG 4.05Å; F267-M271 HydrophobicContact CE1-CG 3.62Å; F267-M271 HydrophobicContact CE1-SD 4.19Å; F267-M271 HydrophobicContact CE2-CG 4.29Å; F267-M271 HydrophobicContact CE2-SD 4.32Å; F267-M271 HydrophobicContact CZ-CG 3.76Å; F267-M271 HydrophobicContact CZ-SD 3.77Å; F267-M271 WeakPolarHBondContact O-CG 3.04Å; F267-M271 PolarHBondContact O-N 3.5Å
268	L	78.1	Confident	77.5	Confident	55 Å²	55	87.3 Å²	87.3	29%	0.288	47%	0.466	S	S	.	.	H	α-helix	trans	-62.2	-44.5	174.9	-79.9	-170	0	0	0	112.4	P248 I252 T264 N265 Y270 M271 N272	P248-L268 HydrophobicContact CB-CD1 3.74Å; I252-L268 HydrophobicContact CD1-CD1 3.25Å; I252-L268 HydrophobicContact CD1-CG 3.88Å; I252-L268 HydrophobicContact CG1-CD1 4.3Å; T264-L268 PolarHBondContact O-N 3.09Å; N265-L268 PolarHBondContact O-N 3.42Å; L268-Y270 VanDerWaalsContact C-N 3.3Å; L268-Y270 PolarHBondContact O-N 2.97Å; L268-M271 PolarHBondContact O-N 3.24Å; L268-N272 PolarHBondContact O-N 2.96Å
269	V	80.9	Confident	77.6	Confident	84 Å²	84	90.8 Å²	90.8	51%	0.509	47%	0.469	S	S	.	.	H	α-helix	trans	-60.4	-44.1	176	173.2	0	0	0	0	110.4	N265 K266 M271 N272 N273	N265-V269 WeakPolarHBondContact O-CG2 3.22Å; N265-V269 PolarHBondContact O-N 3.09Å; K266-V269 PolarHBondContact O-N 3.39Å; V269-M271 PolarHBondContact O-N 3.37Å; V269-N272 PolarHBondContact O-N 3.11Å; V269-N273 WeakPolarHBondContact O-CB 3.3Å; V269-N273 PolarHBondContact O-N 3.27Å; V269-N273 PolarHBondContact O-ND2 2.72Å
270	Y	81.5	Confident	77.3	Confident	136 Å²	136	88.6 Å²	88.6	53%	0.533	46%	0.459	S	S	.	.	H	α-helix	trans	-58.3	-46.5	175	173.1	-101.2	0	0	0	112.5	K266 F267 L268 N273 L274	K266-Y270 WeakPolarHBondContact O-CB 3.35Å; K266-Y270 PolarHBondContact O-N 3.26Å; F267-Y270 HydrophobicContact CD2-CD1 4.45Å; F267-Y270 HydrophobicContact CE2-CD1 4.43Å; F267-Y270 WeakPolarHBondContact O-CB 3.35Å; F267-Y270 PolarHBondContact O-N 3.2Å; L268-Y270 VanDerWaalsContact C-N 3.3Å; L268-Y270 PolarHBondContact O-N 2.97Å; Y270-N273 PolarHBondContact O-N 3.34Å; Y270-L274 HydrophobicContact CD1-CD1 4.4Å; Y270-L274 HydrophobicContact CE1-CD1 3.61Å; Y270-L274 HydrophobicContact CE1-CG 4.46Å; Y270-L274 PolarHBondContact O-N 3.06Å
271	M	74.7	Confident	76.8	Confident	74 Å²	74	90.5 Å²	90.5	37%	0.365	47%	0.469	S	S	.	.	H	α-helix	trans	-63.9	-41.8	178.4	-73.1	-62.6	-62.8	0	0	112.6	F267 L268 V269 N273 L274 L275	F267-M271 HydrophobicContact CD1-CG 4.05Å; F267-M271 HydrophobicContact CE1-CG 3.62Å; F267-M271 HydrophobicContact CE1-SD 4.19Å; F267-M271 HydrophobicContact CE2-CG 4.29Å; F267-M271 HydrophobicContact CE2-SD 4.32Å; F267-M271 HydrophobicContact CZ-CG 3.76Å; F267-M271 HydrophobicContact CZ-SD 3.77Å; F267-M271 WeakPolarHBondContact O-CG 3.04Å; F267-M271 PolarHBondContact O-N 3.5Å; L268-M271 PolarHBondContact O-N 3.24Å; V269-M271 PolarHBondContact O-N 3.37Å; M271-N273 VanDerWaalsContact C-N 3.34Å; M271-L274 WeakPolarHBondContact O-CB 3.5Å; M271-L274 PolarHBondContact O-N 2.96Å; M271-L275 PolarHBondContact O-N 2.73Å
272	N	81.5	Confident	75.8	Confident	98 Å²	98	96.4 Å²	96.4	52%	0.524	50%	0.497	S	S	.	.	H	α-helix	trans	-65.4	-38.6	176.8	-73.3	-11.1	0	0	0	111.7	L268 V269 L274 L275 A276	L268-N272 PolarHBondContact O-N 2.96Å; V269-N272 PolarHBondContact O-N 3.11Å; N272-L274 VanDerWaalsContact C-N 3.33Å; N272-L275 PolarHBondContact O-N 2.89Å; N272-A276 WeakPolarHBondContact O-CB 3.29Å; N272-A276 PolarHBondContact O-N 3.48Å
273	N	84.1	Confident	74.4	Confident	91 Å²	91	95 Å²	95	49%	0.487	50%	0.498	S	S	.	.	H	α-helix	trans	-64.6	-38.7	173.9	-70.4	-14	0	0	0	111.6	V269 Y270 M271 A276 Q277	V269-N273 WeakPolarHBondContact O-CB 3.3Å; V269-N273 PolarHBondContact O-N 3.27Å; V269-N273 PolarHBondContact O-ND2 2.72Å; Y270-N273 PolarHBondContact O-N 3.34Å; M271-N273 VanDerWaalsContact C-N 3.34Å; N273-A276 PolarHBondContact O-N 2.65Å; N273-Q277 WeakPolarHBondContact O-CB 3.13Å; N273-Q277 VanDerWaalsContact O-CG 3.24Å; N273-Q277 WeakPolarHBondContact O-CG 3.4Å; N273-Q277 PolarHBondContact O-N 3.45Å
274	L	76.2	Confident	73	Confident	57 Å²	57	97.4 Å²	97.4	30%	0.298	51%	0.507	S	S	.	.	H	α-helix	trans	-63.8	-44.8	174.2	-101.7	178.8	0	0	0	112.1	Y270 M271 N272 Q277 I278	Y270-L274 HydrophobicContact CD1-CD1 4.4Å; Y270-L274 HydrophobicContact CE1-CD1 3.61Å; Y270-L274 HydrophobicContact CE1-CG 4.46Å; Y270-L274 PolarHBondContact O-N 3.06Å; M271-L274 WeakPolarHBondContact O-CB 3.5Å; M271-L274 PolarHBondContact O-N 2.96Å; N272-L274 VanDerWaalsContact C-N 3.33Å; L274-Q277 WeakPolarHBondContact O-CB 3.26Å; L274-Q277 PolarHBondContact O-N 3.44Å; L274-I278 VanDerWaalsContact O-CG1 3.27Å; L274-I278 WeakPolarHBondContact O-CG1 3.27Å; L274-I278 PolarHBondContact O-N 3.22Å
275	L	78.1	Confident	71.4	Confident	89 Å²	89	100 Å²	100	47%	0.466	52%	0.523	S	S	.	.	H	α-helix	trans	-61.2	-46.1	176.1	-78	168.2	0	0	0	111.2	M271 N272 Q277 I278 E279	M271-L275 PolarHBondContact O-N 2.73Å; N272-L275 PolarHBondContact O-N 2.89Å; L275-Q277 VanDerWaalsContact C-N 3.27Å; L275-Q277 PolarHBondContact O-N 3.26Å; L275-I278 PolarHBondContact O-N 3.25Å; L275-I278 VanDerWaalsContact O-N 3.15Å; L275-E279 WeakPolarHBondContact O-CB 3.49Å; L275-E279 WeakPolarHBondContact O-CG 3.4Å; L275-E279 PolarHBondContact O-N 2.97Å
276	A	78.3	Confident	69.4	Low	50 Å²	50	105.3 Å²	105.3	41%	0.413	55%	0.551	S	S	.	*	H	α-helix	trans	-62.6	-34.2	175.7	0	0	0	0	0	112.5	N272 N273 S280	N272-A276 WeakPolarHBondContact O-CB 3.29Å; N272-A276 PolarHBondContact O-N 3.48Å; N273-A276 PolarHBondContact O-N 2.65Å; A276-S280 VanDerWaalsContact O-CB 3.25Å; A276-S280 WeakPolarHBondContact O-CB 3.01Å; A276-S280 PolarHBondContact O-N 2.72Å; A276-S280 PolarHBondContact O-OG 2.69Å
277	Q	76.8	Confident	67.4	Low	114 Å²	114	104.5 Å²	104.5	53%	0.533	55%	0.552	S	S	.	*	H	α-helix	trans	-67.7	-41.9	173.1	-78.9	175	1.2	0	0	112.1	N273 L274 L275 E279 S280 T281	N273-Q277 WeakPolarHBondContact O-CB 3.13Å; N273-Q277 VanDerWaalsContact O-CG 3.24Å; N273-Q277 WeakPolarHBondContact O-CG 3.4Å; N273-Q277 PolarHBondContact O-N 3.45Å; L274-Q277 WeakPolarHBondContact O-CB 3.26Å; L274-Q277 PolarHBondContact O-N 3.44Å; L275-Q277 VanDerWaalsContact C-N 3.27Å; L275-Q277 PolarHBondContact O-N 3.26Å; Q277-E279 VanDerWaalsContact C-N 3.35Å; Q277-S280 WeakPolarHBondContact CA-OG 3.33Å; Q277-S280 PolarHBondContact O-N 2.8Å; Q277-S280 PolarHBondContact O-OG 2.97Å; Q277-T281 WeakPolarHBondContact O-CB 3.4Å; Q277-T281 PolarHBondContact O-N 2.59Å; Q277-T281 PolarHBondContact O-OG1 2.75Å
278	I	70.8	Confident	65.2	Low	108 Å²	108	105.2 Å²	105.2	55%	0.554	57%	0.566	S	S	*	*	H	α-helix	trans	-65.3	-41	176.3	-67	163	0	0	0	110.6	L274 L275 T281	L274-I278 VanDerWaalsContact O-CG1 3.27Å; L274-I278 WeakPolarHBondContact O-CG1 3.27Å; L274-I278 PolarHBondContact O-N 3.22Å; L275-I278 PolarHBondContact O-N 3.25Å; L275-I278 VanDerWaalsContact O-N 3.15Å; I278-T281 WeakPolarHBondContact CA-OG1 2.85Å; I278-T281 PolarHBondContact O-OG1 2.99Å
279	E	75.2	Confident	63	Low	154 Å²	154	108.9 Å²	108.9	72%	0.72	59%	0.586	S	S	*	*	H	α-helix	trans	-70.8	-32.7	178.1	-71.5	174.4	176.3	0	0	112.7	L275 Q277	L275-E279 WeakPolarHBondContact O-CB 3.49Å; L275-E279 WeakPolarHBondContact O-CG 3.4Å; L275-E279 PolarHBondContact O-N 2.97Å; Q277-E279 VanDerWaalsContact C-N 3.35Å
280	S	73.2	Confident	60.5	Low	87 Å²	87	110.7 Å²	110.7	61%	0.608	60%	0.603	S	S	*	*	H	α-helix	trans	-85.5	-21.9	176.4	57.3	0	0	0	0	113.9	A276 Q277 Q282	A276-S280 VanDerWaalsContact O-CB 3.25Å; A276-S280 WeakPolarHBondContact O-CB 3.01Å; A276-S280 PolarHBondContact O-N 2.72Å; A276-S280 PolarHBondContact O-OG 2.69Å; Q277-S280 WeakPolarHBondContact CA-OG 3.33Å; Q277-S280 PolarHBondContact O-N 2.8Å; Q277-S280 PolarHBondContact O-OG 2.97Å; S280-Q282 PolarHBondContact O-N 3.26Å
281	T	62.2	Low	58.1	Low	89 Å²	89	112.9 Å²	112.9	55%	0.546	62%	0.615	S	S	.	*			trans	-75	75.8	165.8	40.3	0	0	0	0	108.4	Q277 I278 V283	Q277-T281 WeakPolarHBondContact O-CB 3.4Å; Q277-T281 PolarHBondContact O-N 2.59Å; Q277-T281 PolarHBondContact O-OG1 2.75Å; I278-T281 WeakPolarHBondContact CA-OG1 2.85Å; I278-T281 PolarHBondContact O-OG1 2.99Å; T281-V283 PolarHBondContact O-N 2.58Å
282	Q	56.9	Low	55.9	Low	170 Å²	170	117.3 Å²	117.3	79%	0.794	64%	0.639	S	S	*	*			trans	-59.8	89.7	154.7	-73.3	-179.1	-14.7	0	0	106.6	S280 D284	S280-Q282 PolarHBondContact O-N 3.26Å; Q282-D284 PolarHBondContact O-N 2.97Å; Q282-D284 VanDerWaalsContact O-N 3.08Å
283	V	49.1	Very low	53.3	Low	108 Å²	108	120 Å²	120	66%	0.655	65%	0.652	S	S	*	*			trans	-63.2	110	158.5	-176.8	0	0	0	0	103.8	T281 V285	T281-V283 PolarHBondContact O-N 2.58Å; V283-V285 HydrophobicContact CB-CG2 3.83Å; V283-V285 HydrophobicContact CG1-CG2 3.41Å; V283-V285 VanDerWaalsContact CG1-CG2 3.41Å; V283-V285 PolarHBondContact O-N 2.93Å
284	D	43.6	Very low	50.6	Low	147 Å²	147	121.4 Å²	121.4	79%	0.786	67%	0.666	S	S	*	*			trans	-59.8	82	162.7	-85.7	-31.2	0	0	0	106.8	Q282 D286	Q282-D284 PolarHBondContact O-N 2.97Å; Q282-D284 VanDerWaalsContact O-N 3.08Å; D284-D286 PolarHBondContact O-N 2.83Å; D284-D286 VanDerWaalsContact O-N 3.08Å
285	V	41.7	Very low	48.4	Very low	89 Å²	89	126 Å²	126	54%	0.539	69%	0.69	S	S	.	*			trans	-81.2	83.1	170.7	179	0	0	0	0	104.8	V283 I287	V283-V285 HydrophobicContact CB-CG2 3.83Å; V283-V285 HydrophobicContact CG1-CG2 3.41Å; V283-V285 VanDerWaalsContact CG1-CG2 3.41Å; V283-V285 PolarHBondContact O-N 2.93Å; V285-I287 HydrophobicContact CG1-CB 3.86Å; V285-I287 HydrophobicContact CG1-CD1 3.08Å; V285-I287 HydrophobicContact CG1-CG1 3.25Å; V285-I287 PolarHBondContact O-N 2.79Å
286	D	35.6	Very low	46	Very low	158 Å²	158	129.3 Å²	129.3	85%	0.845	71%	0.709	S	S	*	*			trans	-60.9	79.6	160.8	-95.8	-17.7	0	0	0	107.7	D284	D284-D286 PolarHBondContact O-N 2.83Å; D284-D286 VanDerWaalsContact O-N 3.08Å
287	I	37.3	Very low	43.4	Very low	118 Å²	118	136 Å²	136	61%	0.605	73%	0.734	S	S	*	*			trans	-117.8	79.7	170.9	-65.4	178	0	0	0	107.2	V285 D289	V285-I287 HydrophobicContact CG1-CB 3.86Å; V285-I287 HydrophobicContact CG1-CD1 3.08Å; V285-I287 HydrophobicContact CG1-CG1 3.25Å; V285-I287 PolarHBondContact O-N 2.79Å; I287-D289 HydrophobicContact CG2-CB 3.94Å; I287-D289 PolarHBondContact O-N 2.91Å
288	T	33.8	Very low	41.1	Very low	133 Å²	133	136.9 Å²	136.9	82%	0.816	75%	0.747	S	S	*	*			trans	-64.1	78.7	140	50.8	0	0	0	0	108
289	D	31.4	Very low	38.9	Very low	132 Å²	132	139.9 Å²	139.9	71%	0.706	76%	0.758	S	S	*	*			trans	-162.1	75.5	159.2	-95.6	-28.5	0	0	0	109.5	I287 K291	I287-D289 HydrophobicContact CG2-CB 3.94Å; I287-D289 PolarHBondContact O-N 2.91Å; D289-K291 PolarHBondContact O-N 2.62Å
290	S	29.2	Very low	36.5	Very low	123 Å²	123	142.1 Å²	142.1	86%	0.86	77%	0.766	S	S	*	*			trans	-72	64.7	170.2	49.2	0	0	0	0	111.3
291	K	30.6	Very low	34.3	Very low	181 Å²	181	146.6 Å²	146.6	79%	0.787	77%	0.774	S	S	*	*			trans	-146.6	119.1	165.3	-69.4	-175	179.1	166.4	0	109.1	D289	D289-K291 PolarHBondContact O-N 2.62Å
292	L	28.5	Very low	32.7	Very low	167 Å²	167	148 Å²	148	87%	0.874	79%	0.788	S	S	*	*			trans	137.3	64.5	152.3	-70.8	160.3	0	0	0	113.7
293	I	26.4	Very low	31.3	Very low	156 Å²	156	148 Å²	148	80%	0.8	79%	0.792	S	S	*	*			trans	-140.6	105.9	141.9	-54.5	-179.7	0	0	0	106.9	D295	I293-D295 PolarHBondContact O-N 3.13Å
294	P	28.8	Very low	30.7	Very low	119 Å²	119	147.1 Å²	147.1	77%	0.773	79%	0.791	S	S	*	*			trans	-83.1	112.2	175.6	15.7	-2.6	0	0	0	109.9	N296	P294-N296 PolarHBondContact O-N 2.98Å; P294-N296 VanDerWaalsContact O-N 3.09Å
295	D	28.6	Very low	30.2	Very low	153 Å²	153	146.1 Å²	146.1	82%	0.818	79%	0.786	S	S	*	*			trans	-66.8	97.1	163.3	-78	-32.3	0	0	0	109	I293	I293-D295 PolarHBondContact O-N 3.13Å
296	N	28.7	Very low	30	Very low	160 Å²	160	145.6 Å²	145.6	86%	0.856	79%	0.79	S	S	*	*			trans	-163.2	80.6	158.4	-96.2	-25.9	0	0	0	110.4	P294	P294-N296 PolarHBondContact O-N 2.98Å; P294-N296 VanDerWaalsContact O-N 3.09Å
297	M	23.7	Very low	29.9	Very low	191 Å²	191	146.3 Å²	146.3	94%	0.941	79%	0.786	S	S	*	*			trans	-134.8	64	167.6	-86.5	-133	150.6	0	0	111
298	V	27.2	Very low	29.7	Very low	132 Å²	132	145.6 Å²	145.6	80%	0.8	78%	0.783	S	S	*	*			trans	-151.4	80.6	157	-166.3	0	0	0	0	110.8
299	E	25.5	Very low	29.8	Very low	171 Å²	171	146.5 Å²	146.5	80%	0.799	78%	0.776	S	S	*	*			trans	-128.1	100.5	158	-86.4	-165.4	170.9	0	0	110.2	K301	E299-K301 PolarHBondContact O-N 3.26Å
300	K	25.7	Very low	30	Very low	201 Å²	201	146.9 Å²	146.9	87%	0.874	78%	0.778	S	S	*	*			trans	-79.5	94.9	169.4	-72.7	177.6	177.5	174.9	0	108.4	S302	K300-S302 PolarHBondContact O-N 3.3Å
301	K	26.5	Very low	30.3	Very low	181 Å²	181	147.5 Å²	147.5	79%	0.787	77%	0.767	S	S	*	*			trans	-72.5	106.1	168.3	-79.1	179.7	176.5	174.7	0	109.6	E299 L303	E299-K301 PolarHBondContact O-N 3.26Å; K301-L303 PolarHBondContact O-N 3.03Å
302	S	28.3	Very low	30.2	Very low	118 Å²	118	145.3 Å²	145.3	83%	0.825	76%	0.757	S	S	*	*			trans	-68.4	111.4	170	51.6	0	0	0	0	109.9	K300	K300-S302 PolarHBondContact O-N 3.3Å
303	L	28	Very low	30.3	Very low	170 Å²	170	143.1 Å²	143.1	89%	0.89	75%	0.746	S	S	*	*			trans	-72.5	123.7	170.1	-72.4	161.5	0	0	0	108.6	K301	K301-L303 PolarHBondContact O-N 3.03Å
304	S	34.8	Very low	30.6	Very low	89 Å²	89	141.4 Å²	141.4	62%	0.622	74%	0.739	S	S	*	*			trans	-70.1	131.3	-174.7	53.4	0	0	0	0	113	A306 F307	S304-A306 PolarHBondContact O-N 2.85Å; S304-F307 PolarHBondContact O-N 3.44Å
305	D	34.5	Very low	30.7	Very low	127 Å²	127	141 Å²	141	68%	0.679	73%	0.726	S	S	*	*	T	Hydrogen-bonded Turn	trans	-54.6	-17	179.9	-86	-27.6	0	0	0	115.8	F307 L308	D305-F307 VanDerWaalsContact C-N 3.31Å; D305-F307 PolarHBondContact O-N 3.46Å; D305-L308 PolarHBondContact O-N 3.5Å
306	A	37.8	Very low	30.8	Very low	77 Å²	77	139.3 Å²	139.3	64%	0.636	72%	0.715	S	S	*	*	H	α-helix	trans	-65	-33.9	-179.8	0	0	0	0	0	112.6	S304 L308	S304-A306 PolarHBondContact O-N 2.85Å; A306-L308 VanDerWaalsContact C-N 3.26Å; A306-L308 PolarHBondContact O-N 2.99Å
307	F	33.8	Very low	30.9	Very low	174 Å²	174	138.8 Å²	138.8	76%	0.763	71%	0.707	S	S	*	*	H	α-helix	trans	-72.6	-20.3	-179	-164.7	-98.1	0	0	0	112.8	S304 D305	S304-F307 PolarHBondContact O-N 3.44Å; D305-F307 VanDerWaalsContact C-N 3.31Å; D305-F307 PolarHBondContact O-N 3.46Å
308	L	31.2	Very low	31.5	Very low	102 Å²	102	138.1 Å²	138.1	53%	0.534	70%	0.702	S	S	.	*	H	α-helix	trans	-89.8	-15.8	-178.2	-71.6	172.9	0	0	0	113.8	D305 A306 F312	D305-L308 PolarHBondContact O-N 3.5Å; A306-L308 VanDerWaalsContact C-N 3.26Å; A306-L308 PolarHBondContact O-N 2.99Å; L308-F312 HydrophobicContact CD2-CE2 4.16Å; L308-F312 WeakPolarHBondContact O-CD2 3.12Å
309	K	36	Very low	32	Very low	153 Å²	153	136.2 Å²	136.2	67%	0.665	68%	0.684	S	S	*	*	H	α-helix	trans	-85.8	-40.4	-177.3	-80.9	-177.7	175.6	176.7	0	113.7
310	D	35.9	Very low	32.5	Very low	139 Å²	139	136.8 Å²	136.8	74%	0.743	68%	0.679	S	S	*	*	H	α-helix	trans	-75.2	-29.9	-171.3	-102.6	17.6	0	0	0	114
311	H	35.9	Very low	32.7	Very low	137 Å²	137	132.2 Å²	132.2	63%	0.634	66%	0.664	S	S	*	*	H	α-helix	trans	-85.8	-16.7	-178.7	-145.7	-62	0	0	0	113.6
312	F	29.6	Very low	33	Very low	134 Å²	134	126.4 Å²	126.4	59%	0.588	65%	0.649	S	S	*	*	H	α-helix	trans	-91.7	-23.9	-172.8	-95.1	-84	0	0	0	114.6	L308	L308-F312 HydrophobicContact CD2-CE2 4.16Å; L308-F312 WeakPolarHBondContact O-CD2 3.12Å
313	L	30.4	Very low	33.5	Very low	121 Å²	121	125.3 Å²	125.3	63%	0.634	63%	0.63	S	S	*	*	H	α-helix	trans	-77.5	-37.4	-179.3	-80.1	161.3	0	0	0	112.2	E315 M316	L313-E315 PolarHBondContact O-N 3.45Å; L313-M316 PolarHBondContact O-N 3.36Å
314	N	31.7	Very low	34.2	Very low	121 Å²	121	120 Å²	120	65%	0.647	60%	0.6	S	S	*	*	H	α-helix	trans	-69.5	-28.7	-176.4	-70.5	-10.3	0	0	0	113.6	M316	N314-M316 VanDerWaalsContact C-N 3.28Å; N314-M316 PolarHBondContact O-N 3.11Å
315	E	30.7	Very low	33.9	Very low	110 Å²	110	120.8 Å²	120.8	51%	0.514	60%	0.597	S	S	.	*	H	α-helix	trans	-70.3	-23.6	175.4	-78.2	-170.3	155.1	0	0	112.6	L313 H319	L313-E315 PolarHBondContact O-N 3.45Å; E315-H319 PolarHBondContact O-CD2 3.44Å
316	M	30.2	Very low	33.7	Very low	117 Å²	117	119.6 Å²	119.6	58%	0.576	60%	0.597	S	S	*	*	H	α-helix	trans	-74.9	-26.1	-177	-73.6	-94.5	72.5	0	0	113.6	L313 N314	L313-M316 PolarHBondContact O-N 3.36Å; N314-M316 VanDerWaalsContact C-N 3.28Å; N314-M316 PolarHBondContact O-N 3.11Å
317	E	32.6	Very low	33.5	Very low	149 Å²	149	121.6 Å²	121.6	70%	0.696	59%	0.594	S	S	*	*	H	α-helix	trans	-78.7	-44.2	-177	-73	-173	160.5	0	0	112.3	H319 R320	E317-H319 PolarHBondContact O-N 3.18Å; E317-H319 VanDerWaalsContact O-N 3.14Å; E317-R320 PolarHBondContact O-N 3.23Å
318	E	35.6	Very low	33.1	Very low	178 Å²	178	120.8 Å²	120.8	83%	0.832	60%	0.597	S	S	*	*	H	α-helix	trans	-66.2	-17.7	174.7	-76.1	-166.5	152.8	0	0	113.2	R320	E318-R320 PolarHBondContact O-N 2.73Å
319	H	38.1	Very low	33.1	Very low	91 Å²	91	121.2 Å²	121.2	42%	0.421	60%	0.599	S	S	.	*	T	Hydrogen-bonded Turn	trans	-81.2	-6.8	-177.1	-82.7	-29.8	0	0	0	115.5	E315 E317	E315-H319 PolarHBondContact O-CD2 3.44Å; E317-H319 PolarHBondContact O-N 3.18Å; E317-H319 VanDerWaalsContact O-N 3.14Å
320	R	34.6	Very low	32.7	Very low	183 Å²	183	119.6 Å²	119.6	69%	0.691	60%	0.604	S	S	*	*	S	Bend	trans	-85.8	-35.3	-173.3	-75.8	-173	173.7	-162.1	0.2	115	E317 E318	E317-R320 PolarHBondContact O-N 3.23Å; E318-R320 PolarHBondContact O-N 2.73Å
321	D	31.3	Very low	32.1	Very low	106 Å²	106	116.7 Å²	116.7	57%	0.567	61%	0.607	S	S	*	*	S	Bend	trans	-100.3	-39.3	-155.2	-61.3	-24.1	0	0	0	114.7	F323	D321-F323 PolarHBondContact O-N 3.11Å
322	A	31.8	Very low	31.6	Very low	58 Å²	58	118 Å²	118	48%	0.479	62%	0.619	S	S	.	*	T	Hydrogen-bonded Turn	trans	-80.1	-8.9	-163.9	0	0	0	0	0	118.1
323	F	39	Very low	31.4	Very low	95 Å²	95	118.7 Å²	118.7	42%	0.417	63%	0.628	S	S	.	*	T	Hydrogen-bonded Turn	trans	-90.1	-23.5	-177.9	-170.9	-99.6	0	0	0	113.6	I145 D321	I145-F323 HydrophobicContact CB-CE2 4.05Å; I145-F323 HydrophobicContact CG2-CD2 4.3Å; I145-F323 HydrophobicContact CG2-CE2 3.42Å; I145-F323 VanDerWaalsContact CG2-CE2 3.42Å; I145-F323 HydrophobicContact CG2-CZ 4.07Å; D321-F323 PolarHBondContact O-N 3.11Å
324	F	42.3	Very low	31.1	Very low	59 Å²	59	121.9 Å²	121.9	26%	0.259	64%	0.637	S	S	.	*	S	Bend	trans	-120.9	23.9	178.3	-62	-83.4	0	0	0	111.9	C326 V395 R399	F324-C326 PolarHBondContact O-N 3.17Å; F324-V395 HydrophobicContact CD1-CG1 4.34Å; F324-V395 HydrophobicContact CE1-CG1 4.27Å; F324-R399 HydrophobicContact CD2-CG 4.5Å; F324-R399 HydrophobicContact CE1-CB 3.98Å; F324-R399 HydrophobicContact CE1-CG 4.13Å; F324-R399 HydrophobicContact CE2-CB 4.29Å; F324-R399 HydrophobicContact CE2-CG 3.55Å; F324-R399 HydrophobicContact CZ-CB 3.57Å; F324-R399 VanDerWaalsContact CZ-CD 3.41Å; F324-R399 HydrophobicContact CZ-CG 3.34Å
325	D	29.2	Very low	30.8	Very low	106 Å²	106	123.5 Å²	123.5	57%	0.567	65%	0.645	S	S	*	*			trans	-64.3	70.3	165.7	-88.7	-22.4	0	0	0	110.3
326	C	30.9	Very low	30.2	Very low	101 Å²	101	127 Å²	127	68%	0.682	66%	0.663	S	S	*	*	S	Bend	trans	-156.2	96.5	157.3	-71.8	0	0	0	0	104	F324	F324-C326 PolarHBondContact O-N 3.17Å
327	H	32.5	Very low	30	Very low	120 Å²	120	126.9 Å²	126.9	56%	0.556	67%	0.671	S	S	*	*			trans	78	73.7	165.5	-42.8	-67.2	0	0	0	117.5	I329	H327-I329 HydrophobicContact CB-CD1 4.09Å; H327-I329 HydrophobicContact CB-CG1 4.12Å; H327-I329 PolarHBondContact O-N 2.9Å
328	N	26.2	Very low	29.5	Very low	157 Å²	157	124.6 Å²	124.6	84%	0.84	67%	0.672	S	S	*	*			trans	-77.6	95.5	142.6	-85.4	-24.1	0	0	0	107
329	I	31.6	Very low	28.9	Very low	111 Å²	111	123.3 Å²	123.3	57%	0.569	67%	0.67	S	S	*	*			trans	-108.4	121.6	170.3	-60.1	171.9	0	0	0	107	H327	H327-I329 HydrophobicContact CB-CD1 4.09Å; H327-I329 HydrophobicContact CB-CG1 4.12Å; H327-I329 PolarHBondContact O-N 2.9Å
330	P	26.2	Very low	28.2	Very low	118 Å²	118	124.5 Å²	124.5	77%	0.766	69%	0.689	S	S	*	*			trans	-67.9	151	-179.3	24.7	-27.4	0	0	0	111.5
331	G	24.2	Very low	27.9	Very low	78 Å²	78	123.9 Å²	123.9	80%	0.804	69%	0.694	S	S	*	*			trans	-54.6	144.2	-163	0	0	0	0	0	115.7
332	N	26	Very low	27.6	Very low	166 Å²	166	124.1 Å²	124.1	89%	0.888	70%	0.704	S	S	*	*			trans	-130.1	97.4	152.8	-138.8	2.2	0	0	0	107	K334	N332-K334 PolarHBondContact O-N 3.41Å
333	D	23.6	Very low	27.4	Very low	147 Å²	147	127.5 Å²	127.5	79%	0.786	71%	0.713	S	S	*	*			trans	-56.8	123.9	163.1	-75.2	-40.6	0	0	0	108.1
334	K	24.3	Very low	27	Very low	189 Å²	189	131.6 Å²	131.6	82%	0.822	73%	0.733	S	S	*	*			trans	152.3	146.3	135.2	-81.3	161	-175.1	178.8	0	112.5	N332	N332-K334 PolarHBondContact O-N 3.41Å
335	L	25.1	Very low	26.5	Very low	154 Å²	154	134.9 Å²	134.9	81%	0.806	75%	0.748	S	S	*	*			trans	87.9	91	155.3	-66.7	135.4	0	0	0	117.5
336	M	19.6	Very low	26.8	Very low	184 Å²	184	132.9 Å²	132.9	91%	0.906	74%	0.742	S	S	*	*			trans	-54.2	137.8	142.1	-69.3	-79.4	143.1	0	0	109.8
337	P	25.3	Very low	27	Very low	115 Å²	115	136.5 Å²	136.5	75%	0.747	75%	0.746	S	S	*	*				-137.2	134.1	124.5	29.3	-13	0	0	0	112.6
338	S	21.2	Very low	27.2	Very low	100 Å²	100	133.9 Å²	133.9	70%	0.699	75%	0.745	S	S	*	*			trans	-54.6	126.4	153	46.8	0	0	0	0	110.3
339	D	24.8	Very low	27.8	Very low	151 Å²	151	131.4 Å²	131.4	81%	0.807	73%	0.728	S	S	*	*				176.6	128.7	124.3	-85.4	-19.7	0	0	0	111.4	Q341	D339-Q341 PolarHBondContact O-N 2.83Å
340	S	22.9	Very low	28.1	Very low	117 Å²	117	129.7 Å²	129.7	82%	0.818	72%	0.72	S	S	*	*			trans	-71.1	107.1	173.9	47.4	0	0	0	0	111.1
341	Q	27	Very low	28.5	Very low	169 Å²	169	128.6 Å²	128.6	79%	0.79	71%	0.708	S	S	*	*			trans	-140.2	113	155.7	-71.3	-167.3	2.4	0	0	110.9	D339 L343	D339-Q341 PolarHBondContact O-N 2.83Å; Q341-L343 PolarHBondContact O-N 2.68Å
342	S	25.5	Very low	29.3	Very low	111 Å²	111	131.8 Å²	131.8	78%	0.776	70%	0.701	S	S	*	*			trans	-62.1	90.9	171.6	50.8	0	0	0	0	111	H344	S342-H344 PolarHBondContact O-N 2.83Å
343	L	27	Very low	29.8	Very low	129 Å²	129	129 Å²	129	68%	0.675	69%	0.686	S	S	*	*			trans	-81.2	90.9	168.1	-103	104.5	0	0	0	110	Q341 K345	Q341-L343 PolarHBondContact O-N 2.68Å; L343-K345 HydrophobicContact CD2-CG 4.08Å; L343-K345 PolarHBondContact O-N 3.35Å
344	H	32.1	Very low	30.1	Very low	181 Å²	181	126.3 Å²	126.3	84%	0.838	67%	0.671	S	S	*	*			trans	-67.7	83	158.4	-81.6	-78.4	0	0	0	108.9	S342 S346	S342-H344 PolarHBondContact O-N 2.83Å; H344-S346 PolarHBondContact O-N 2.78Å
345	K	32.3	Very low	30.7	Very low	128 Å²	128	124 Å²	124	56%	0.557	67%	0.667	S	S	*	*			trans	-67.6	126	168.8	-71.6	-171.9	178.6	-178.8	0	109	L343	L343-K345 HydrophobicContact CD2-CG 4.08Å; L343-K345 PolarHBondContact O-N 3.35Å
346	S	34.9	Very low	31.3	Very low	64 Å²	64	122.9 Å²	122.9	45%	0.448	66%	0.662	S	S	.	*			trans	-66.7	145.2	-177.9	72.8	0	0	0	0	110.3	H344 A348 E349	H344-S346 PolarHBondContact O-N 2.78Å; S346-A348 PolarHBondContact O-N 3.4Å; S346-E349 PolarHBondContact O-N 3.49Å
347	K	34	Very low	32	Very low	178 Å²	178	119.3 Å²	119.3	77%	0.774	65%	0.651	S	S	*	*	H	α-helix	trans	-54.7	-20.6	-177.8	-143	175.3	-172.7	176	0	113.7	N351	K347-N351 PolarHBondContact O-ND2 2.69Å
348	A	37	Very low	32.3	Very low	64 Å²	64	119.5 Å²	119.5	53%	0.529	65%	0.653	S	S	.	*	H	α-helix	trans	-76.1	-38.7	178.3	0	0	0	0	0	112.9	S346 I350 N351 Q352	S346-A348 PolarHBondContact O-N 3.4Å; A348-I350 VanDerWaalsContact C-N 3.32Å; A348-I350 PolarHBondContact O-N 3.32Å; A348-N351 PolarHBondContact O-N 3.26Å; A348-Q352 PolarHBondContact O-N 2.8Å
349	E	40.1	Very low	32.7	Very low	105 Å²	105	117.2 Å²	117.2	49%	0.491	65%	0.646	S	S	.	*	H	α-helix	trans	-66.8	-35.3	177.3	-71.8	176.9	156.7	0	0	111.6	S346 N351 Q352 L353	S346-E349 PolarHBondContact O-N 3.49Å; E349-N351 VanDerWaalsContact C-N 3.28Å; E349-N351 PolarHBondContact O-N 2.81Å; E349-Q352 PolarHBondContact O-N 3.22Å; E349-L353 PolarHBondContact O-N 2.83Å
350	I	36.9	Very low	33	Very low	75 Å²	75	119.6 Å²	119.6	39%	0.385	65%	0.652	S	S	.	*	H	α-helix	trans	-62.3	-38.3	176	-58.3	175.1	0	0	0	110.8	A348 L353 L354	A348-I350 VanDerWaalsContact C-N 3.32Å; A348-I350 PolarHBondContact O-N 3.32Å; I350-L353 PolarHBondContact O-N 3.26Å; I350-L354 PolarHBondContact O-N 3.11Å
351	N	34.3	Very low	33.5	Very low	96 Å²	96	118.7 Å²	118.7	51%	0.513	65%	0.646	S	S	.	*	H	α-helix	trans	-69.6	-31.6	177.5	-71.9	-25.3	0	0	0	112.6	K347 A348 E349 L354	K347-N351 PolarHBondContact O-ND2 2.69Å; A348-N351 PolarHBondContact O-N 3.26Å; E349-N351 VanDerWaalsContact C-N 3.28Å; E349-N351 PolarHBondContact O-N 2.81Å; N351-L354 PolarHBondContact O-N 3.05Å
352	Q	40.9	Very low	33.5	Very low	144 Å²	144	119 Å²	119	67%	0.673	65%	0.653	S	S	*	*	H	α-helix	trans	-70.8	-34.8	176.1	-72.4	-160.2	-11.1	0	0	112.4	A348 E349 L354 L355 N356	A348-Q352 PolarHBondContact O-N 2.8Å; E349-Q352 PolarHBondContact O-N 3.22Å; Q352-L354 VanDerWaalsContact C-N 3.27Å; Q352-L354 PolarHBondContact O-N 2.91Å; Q352-L355 PolarHBondContact O-N 3.44Å; Q352-N356 PolarHBondContact O-N 3.23Å
353	L	36.2	Very low	33.8	Very low	107 Å²	107	120.9 Å²	120.9	56%	0.56	65%	0.649	S	S	*	*	H	α-helix	trans	-64.7	-30.8	174	-83.7	159.8	0	0	0	112.9	E349 I350 N356 T357	E349-L353 PolarHBondContact O-N 2.83Å; I350-L353 PolarHBondContact O-N 3.26Å; L353-N356 PolarHBondContact O-N 2.97Å; L353-T357 PolarHBondContact O-OG1 3.33Å; L353-T357 VanDerWaalsContact O-OG1 3.05Å
354	L	31.8	Very low	33.9	Very low	91 Å²	91	123.3 Å²	123.3	48%	0.476	66%	0.661	S	S	.	*	H	α-helix	trans	-71	-28.6	177.6	-75.7	168.9	0	0	0	113.5	I350 N351 Q352	I350-L354 PolarHBondContact O-N 3.11Å; N351-L354 PolarHBondContact O-N 3.05Å; Q352-L354 VanDerWaalsContact C-N 3.27Å; Q352-L354 PolarHBondContact O-N 2.91Å
355	L	35.6	Very low	34	Very low	141 Å²	141	120.3 Å²	120.3	74%	0.738	65%	0.651	S	S	*	*	H	α-helix	trans	-77.7	-31.1	175.3	-96.5	124.1	0	0	0	112.5	Q352	Q352-L355 PolarHBondContact O-N 3.44Å
356	N	37.3	Very low	34.3	Very low	131 Å²	131	120.2 Å²	120.2	70%	0.701	66%	0.656	S	S	*	*	H	α-helix	trans	-83.5	-12.9	-174.2	-67.6	-4.8	0	0	0	114.1	Q352 L353	Q352-N356 PolarHBondContact O-N 3.23Å; L353-N356 PolarHBondContact O-N 2.97Å
357	T	36	Very low	34.7	Very low	109 Å²	109	121 Å²	121	67%	0.669	67%	0.667	S	S	*	*	S	Bend	trans	-92.5	-13.5	-178.3	40.8	0	0	0	0	113.7	L353 G359	L353-T357 PolarHBondContact O-OG1 3.33Å; L353-T357 VanDerWaalsContact O-OG1 3.05Å; T357-G359 VanDerWaalsContact C-N 3.3Å; T357-G359 PolarHBondContact O-N 3.03Å
358	C	30.1	Very low	35.3	Very low	118 Å²	118	119.3 Å²	119.3	80%	0.797	67%	0.666	S	S	*	*			trans	-94.9	55.9	169.8	-69.8	0	0	0	0	110.5
359	G	30.8	Very low	35.7	Very low	53 Å²	53	119.1 Å²	119.1	55%	0.546	66%	0.661	S	S	.	*			trans	-96.3	118.4	174	0	0	0	0	0	110.9	T357 S361	T357-G359 VanDerWaalsContact C-N 3.3Å; T357-G359 PolarHBondContact O-N 3.03Å; G359-S361 PolarHBondContact O-N 3.21Å
360	E	30.8	Very low	36.1	Very low	200 Å²	200	118.3 Å²	118.3	94%	0.935	66%	0.66	S	S	*	*			trans	-46.2	110.9	177.8	-60.6	171.8	157.6	0	0	113.1
361	S	32.2	Very low	36.8	Very low	99 Å²	99	117.8 Å²	117.8	69%	0.692	66%	0.663	S	S	*	*			trans	-158.3	100.2	159.8	32.8	0	0	0	0	111.4	G359 Q363	G359-S361 PolarHBondContact O-N 3.21Å; S361-Q363 PolarHBondContact O-N 2.93Å
362	N	27.8	Very low	38	Very low	175 Å²	175	118.8 Å²	118.8	94%	0.936	67%	0.669	S	S	*	*			trans	-67.7	90	163.3	-73.8	-37.8	0	0	0	108.7
363	Q	31.7	Very low	39.3	Very low	150 Å²	150	117.5 Å²	117.5	70%	0.701	66%	0.662	S	S	*	*			trans	-133.8	124.6	165.1	-70	-172.6	13.8	0	0	109.5	S361 L365	S361-Q363 PolarHBondContact O-N 2.93Å; Q363-L365 HydrophobicContact CB-CD1 4.18Å; Q363-L365 HydrophobicContact CB-CG 4.41Å; Q363-L365 PolarHBondContact O-N 3.04Å; Q363-L365 VanDerWaalsContact O-N 3.15Å
364	I	30.2	Very low	40	Very low	181 Å²	181	117 Å²	117	93%	0.928	66%	0.659	S	S	*	*			trans	-62.2	105.1	-179.5	-61.8	156.7	0	0	0	107.2
365	L	33.9	Very low	41.4	Very low	117 Å²	117	115 Å²	115	61%	0.613	65%	0.649	S	S	*	*			trans	-133.6	125	-172.8	-72.8	164	0	0	0	111.2	Q363	Q363-L365 HydrophobicContact CB-CD1 4.18Å; Q363-L365 HydrophobicContact CB-CG 4.41Å; Q363-L365 PolarHBondContact O-N 3.04Å; Q363-L365 VanDerWaalsContact O-N 3.15Å
366	D	37.6	Very low	42.9	Very low	126 Å²	126	111.6 Å²	111.6	67%	0.674	64%	0.637	S	S	*	*			trans	-14.2	126.8	174.4	-58.2	-35.9	0	0	0	119.2	N368 S369	D366-N368 PolarHBondContact O-N 3.48Å; D366-S369 PolarHBondContact O-N 2.94Å; D366-S369 PolarHBondContact O-OG 2.88Å
367	A	43.3	Very low	44.3	Very low	82 Å²	82	110.1 Å²	110.1	68%	0.678	63%	0.627	S	S	*	*	H	α-helix	trans	-56.4	-12.6	179.5	0	0	0	0	0	115.7
368	N	45.8	Very low	45.7	Very low	141 Å²	141	108.7 Å²	108.7	75%	0.754	62%	0.615	S	S	*	*	H	α-helix	trans	-77.9	-31.1	175.1	-72.7	-15.4	0	0	0	112.3	D366 D370	D366-N368 PolarHBondContact O-N 3.48Å; N368-D370 VanDerWaalsContact C-N 3.29Å; N368-D370 PolarHBondContact O-N 3.5Å
369	S	46.6	Very low	47.6	Very low	61 Å²	61	106.9 Å²	106.9	43%	0.427	60%	0.595	S	S	.	*	H	α-helix	trans	-73.5	-22.7	177.1	57.2	0	0	0	0	113	D366 S371 D372 H373	D366-S369 PolarHBondContact O-N 2.94Å; D366-S369 PolarHBondContact O-OG 2.88Å; S369-S371 VanDerWaalsContact C-N 3.31Å; S369-S371 PolarHBondContact O-N 3.3Å; S369-D372 PolarHBondContact O-N 3.02Å; S369-H373 PolarHBondContact O-N 2.91Å; S369-H373 VanDerWaalsContact O-N 3.09Å
370	D	48.6	Very low	49.5	Very low	88 Å²	88	107.1 Å²	107.1	47%	0.471	59%	0.586	S	S	.	*	H	α-helix	trans	-66.4	-33.1	179.6	-73.5	-16.6	0	0	0	112.1	N368 H373 I374	N368-D370 VanDerWaalsContact C-N 3.29Å; N368-D370 PolarHBondContact O-N 3.5Å; D370-H373 PolarHBondContact O-N 3.21Å; D370-I374 WeakPolarHBondContact O-CB 3.41Å; D370-I374 WeakPolarHBondContact O-CD1 3.38Å; D370-I374 WeakPolarHBondContact O-CG1 3.44Å; D370-I374 PolarHBondContact O-N 2.85Å
371	S	51.3	Low	50.6	Low	64 Å²	64	101.9 Å²	101.9	45%	0.448	56%	0.564	S	S	.	*	H	α-helix	trans	-61.3	-51.4	176.1	-175	0	0	0	0	110.9	S369 H373 I374 D375	S369-S371 VanDerWaalsContact C-N 3.31Å; S369-S371 PolarHBondContact O-N 3.3Å; S371-H373 VanDerWaalsContact C-N 3.32Å; S371-H373 PolarHBondContact O-N 3.39Å; S371-I374 PolarHBondContact O-N 2.9Å; S371-D375 WeakPolarHBondContact O-CB 3.42Å; S371-D375 PolarHBondContact O-N 3.44Å
372	D	58.9	Low	52	Low	117 Å²	117	99.5 Å²	99.5	63%	0.626	54%	0.541	S	S	*	.	H	α-helix	trans	-65.8	-36.6	-178.1	-68.1	-18.8	0	0	0	111.5	S369 S376	S369-D372 PolarHBondContact O-N 3.02Å; D372-S376 VanDerWaalsContact O-CB 3.29Å; D372-S376 WeakPolarHBondContact O-CB 3.31Å; D372-S376 PolarHBondContact O-N 3.47Å
373	H	67.7	Low	53.4	Low	116 Å²	116	97.6 Å²	97.6	54%	0.537	53%	0.526	S	S	.	.	H	α-helix	trans	-66.8	-45.6	176.8	-173.7	61.5	0	0	0	112.1	S369 D370 S371 D375 S376 M377	S369-H373 PolarHBondContact O-N 2.91Å; S369-H373 VanDerWaalsContact O-N 3.09Å; D370-H373 PolarHBondContact O-N 3.21Å; S371-H373 VanDerWaalsContact C-N 3.32Å; S371-H373 PolarHBondContact O-N 3.39Å; H373-D375 VanDerWaalsContact C-N 3.34Å; H373-D375 PolarHBondContact O-N 3.36Å; H373-S376 PolarHBondContact O-N 3.17Å; H373-M377 WeakPolarHBondContact O-CG 3.45Å; H373-M377 PolarHBondContact O-N 2.83Å
374	I	51.2	Low	54.4	Low	98 Å²	98	95.1 Å²	95.1	50%	0.503	52%	0.515	S	S	.	.	H	α-helix	trans	-62.5	-43.9	176.7	-68.6	166.4	0	0	0	110.1	D370 S371 S376 M377 L378	D370-I374 WeakPolarHBondContact O-CB 3.41Å; D370-I374 WeakPolarHBondContact O-CD1 3.38Å; D370-I374 WeakPolarHBondContact O-CG1 3.44Å; D370-I374 PolarHBondContact O-N 2.85Å; S371-I374 PolarHBondContact O-N 2.9Å; I374-S376 PolarHBondContact O-N 3.18Å; I374-M377 PolarHBondContact O-N 2.83Å; I374-L378 HydrophobicContact CG2-CD1 4.45Å; I374-L378 WeakPolarHBondContact O-CB 3.27Å; I374-L378 PolarHBondContact O-N 2.89Å
375	D	62.6	Low	55.6	Low	47 Å²	47	91.6 Å²	91.6	25%	0.251	50%	0.497	S	S	.	.	H	α-helix	trans	-63.4	-41.2	178.2	-76.7	-25.2	0	0	0	111.7	S371 H373 L378 E379	S371-D375 WeakPolarHBondContact O-CB 3.42Å; S371-D375 PolarHBondContact O-N 3.44Å; H373-D375 VanDerWaalsContact C-N 3.34Å; H373-D375 PolarHBondContact O-N 3.36Å; D375-L378 PolarHBondContact O-N 3.48Å; D375-E379 WeakPolarHBondContact O-CB 3.32Å; D375-E379 PolarHBondContact O-N 2.95Å
376	S	66.8	Low	56.5	Low	70 Å²	70	93.4 Å²	93.4	49%	0.49	51%	0.507	S	S	.	.	H	α-helix	trans	-61.6	-43.7	173.5	-175.6	0	0	0	0	112.3	D372 H373 I374 L378 E379 T380	D372-S376 VanDerWaalsContact O-CB 3.29Å; D372-S376 WeakPolarHBondContact O-CB 3.31Å; D372-S376 PolarHBondContact O-N 3.47Å; H373-S376 PolarHBondContact O-N 3.17Å; I374-S376 PolarHBondContact O-N 3.18Å; S376-L378 VanDerWaalsContact C-N 3.35Å; S376-E379 PolarHBondContact O-N 3.37Å; S376-T380 WeakPolarHBondContact O-CB 3.36Å; S376-T380 PolarHBondContact O-N 3.39Å; S376-T380 PolarHBondContact O-OG1 3.48Å
377	M	66.5	Low	57.3	Low	101 Å²	101	92.3 Å²	92.3	50%	0.498	50%	0.5	S	S	.	.	H	α-helix	trans	-63	-41.7	175.1	-73.6	-174.2	68.3	0	0	111.8	H373 I374 T380 L381	H373-M377 WeakPolarHBondContact O-CG 3.45Å; H373-M377 PolarHBondContact O-N 2.83Å; I374-M377 PolarHBondContact O-N 2.83Å; M377-T380 PolarHBondContact O-N 2.74Å; M377-L381 WeakPolarHBondContact O-CG 3.46Å; M377-L381 PolarHBondContact O-N 3.18Å
378	L	66	Low	57.9	Low	78 Å²	78	97.9 Å²	97.9	41%	0.408	51%	0.512	S	S	.	.	H	α-helix	trans	-66.7	-42.3	179.7	-130.4	143.9	0	0	0	110.9	I374 D375 S376 L381 K382	I374-L378 HydrophobicContact CG2-CD1 4.45Å; I374-L378 WeakPolarHBondContact O-CB 3.27Å; I374-L378 PolarHBondContact O-N 2.89Å; D375-L378 PolarHBondContact O-N 3.48Å; S376-L378 VanDerWaalsContact C-N 3.35Å; L378-L381 PolarHBondContact O-N 2.91Å; L378-K382 VanDerWaalsContact O-CG 3.28Å; L378-K382 WeakPolarHBondContact O-CG 3.39Å; L378-K382 PolarHBondContact O-N 2.83Å
379	E	70.2	Confident	58.8	Low	81 Å²	81	94.9 Å²	94.9	38%	0.379	50%	0.499	S	S	.	.	H	α-helix	trans	-63.4	-42	171.9	-83.1	-53.2	135.6	0	0	112.3	D375 S376 L381 K382 Q383	D375-E379 WeakPolarHBondContact O-CB 3.32Å; D375-E379 PolarHBondContact O-N 2.95Å; S376-E379 PolarHBondContact O-N 3.37Å; E379-L381 VanDerWaalsContact C-N 3.31Å; E379-L381 PolarHBondContact O-N 3.28Å; E379-K382 PolarHBondContact O-N 3.34Å; E379-K382 VanDerWaalsContact OE1-CD 3.31Å; E379-K382 WeakPolarHBondContact OE1-CD 3.29Å; E379-K382 IonicContact OE1-NZ 2.68Å; E379-K382 PolarHBondContact OE1-NZ 3.19Å; E379-Q383 WeakPolarHBondContact O-CB 3.36Å; E379-Q383 VanDerWaalsContact O-CG 3.31Å; E379-Q383 WeakPolarHBondContact O-CG 3.21Å; E379-Q383 PolarHBondContact O-N 2.98Å
380	T	69.6	Low	59.7	Low	58 Å²	58	93.6 Å²	93.6	36%	0.356	49%	0.492	S	S	.	.	H	α-helix	trans	-60	-43.6	175.6	-54.5	0	0	0	0	110.9	S376 M377 Q383 Q384	S376-T380 WeakPolarHBondContact O-CB 3.36Å; S376-T380 PolarHBondContact O-N 3.39Å; S376-T380 PolarHBondContact O-OG1 3.48Å; M377-T380 PolarHBondContact O-N 2.74Å; T380-Q383 PolarHBondContact O-N 2.93Å; T380-Q384 WeakPolarHBondContact O-CB 3.44Å; T380-Q384 VanDerWaalsContact O-CG 3.22Å; T380-Q384 WeakPolarHBondContact O-CG 3.44Å; T380-Q384 PolarHBondContact O-N 2.92Å
381	L	54	Low	61	Low	90 Å²	90	92.1 Å²	92.1	47%	0.471	49%	0.489	S	S	.	.	H	α-helix	trans	-66.2	-40.2	175.7	-76.9	171.3	0	0	0	112.6	M377 L378 E379 Q384 L385	M377-L381 WeakPolarHBondContact O-CG 3.46Å; M377-L381 PolarHBondContact O-N 3.18Å; L378-L381 PolarHBondContact O-N 2.91Å; E379-L381 VanDerWaalsContact C-N 3.31Å; E379-L381 PolarHBondContact O-N 3.28Å; L381-Q384 PolarHBondContact O-N 2.81Å; L381-L385 WeakPolarHBondContact O-CB 3.47Å; L381-L385 WeakPolarHBondContact O-CG 3.37Å; L381-L385 PolarHBondContact O-N 2.81Å
382	K	60.8	Low	62	Low	48 Å²	48	94.7 Å²	94.7	21%	0.209	50%	0.504	C	S	.	.	H	α-helix	trans	-61.1	-45.8	174.2	-73.2	171.9	-168.2	172.8	0	111.2	L378 E379 L385 L386 L387 T389	L378-K382 VanDerWaalsContact O-CG 3.28Å; L378-K382 WeakPolarHBondContact O-CG 3.39Å; L378-K382 PolarHBondContact O-N 2.83Å; E379-K382 PolarHBondContact O-N 3.34Å; E379-K382 VanDerWaalsContact OE1-CD 3.31Å; E379-K382 WeakPolarHBondContact OE1-CD 3.29Å; E379-K382 IonicContact OE1-NZ 2.68Å; E379-K382 PolarHBondContact OE1-NZ 3.19Å; K382-L385 CarbonylContact O-C 3.54Å; K382-L385 PolarHBondContact O-N 2.84Å; K382-L386 PolarHBondContact O-N 3.13Å; K382-L387 PolarHBondContact O-N 2.9Å; K382-T389 HydrophobicContact CD-CG2 4.25Å
383	Q	57.4	Low	62.9	Low	136 Å²	136	95.9 Å²	95.9	64%	0.636	51%	0.506	S	S	*	.	H	α-helix	trans	-62	-44.2	175.6	-71.7	178.2	7.5	0	0	111.5	E379 T380 L385 L386	E379-Q383 WeakPolarHBondContact O-CB 3.36Å; E379-Q383 VanDerWaalsContact O-CG 3.31Å; E379-Q383 WeakPolarHBondContact O-CG 3.21Å; E379-Q383 PolarHBondContact O-N 2.98Å; T380-Q383 PolarHBondContact O-N 2.93Å; Q383-L385 VanDerWaalsContact C-N 3.33Å; Q383-L385 PolarHBondContact O-N 3.1Å; Q383-L386 PolarHBondContact O-N 3.06Å; Q383-L386 VanDerWaalsContact O-N 3.16Å
384	Q	52.9	Low	63.2	Low	97 Å²	97	94 Å²	94	45%	0.453	50%	0.497	S	S	.	.	H	α-helix	trans	-64.6	-34	177	-77	178.8	-0.9	0	0	113.3	T380 L381 L386	T380-Q384 WeakPolarHBondContact O-CB 3.44Å; T380-Q384 VanDerWaalsContact O-CG 3.22Å; T380-Q384 WeakPolarHBondContact O-CG 3.44Å; T380-Q384 PolarHBondContact O-N 2.92Å; L381-Q384 PolarHBondContact O-N 2.81Å; Q384-L386 VanDerWaalsContact C-N 3.33Å
385	L	57.1	Low	64.2	Low	107 Å²	107	92.2 Å²	92.2	56%	0.56	49%	0.491	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.3	-1	176.2	-67.4	174.2	0	0	0	113.1	L381 K382 Q383 L387	L381-L385 WeakPolarHBondContact O-CB 3.47Å; L381-L385 WeakPolarHBondContact O-CG 3.37Å; L381-L385 PolarHBondContact O-N 2.81Å; K382-L385 CarbonylContact O-C 3.54Å; K382-L385 PolarHBondContact O-N 2.84Å; Q383-L385 VanDerWaalsContact C-N 3.33Å; Q383-L385 PolarHBondContact O-N 3.1Å; L385-L387 HydrophobicContact CB-CD1 3.85Å; L385-L387 HydrophobicContact CB-CG 3.79Å; L385-L387 HydrophobicContact CD1-CD1 3.92Å; L385-L387 PolarHBondContact O-N 3.13Å; L385-L387 VanDerWaalsContact O-N 3.13Å
386	L	52.1	Low	64.9	Low	155 Å²	155	92.8 Å²	92.8	81%	0.812	50%	0.498	S	S	*	.	T	Hydrogen-bonded Turn	trans	52	28.2	-174.8	-119.7	93	0	0	0	113.4	K382 Q383 Q384 Q388	K382-L386 PolarHBondContact O-N 3.13Å; Q383-L386 PolarHBondContact O-N 3.06Å; Q383-L386 VanDerWaalsContact O-N 3.16Å; Q384-L386 VanDerWaalsContact C-N 3.33Å; L386-Q388 PolarHBondContact O-N 3.27Å; L386-Q388 VanDerWaalsContact O-N 3.15Å
387	L	55.2	Low	65.6	Low	103 Å²	103	93.7 Å²	93.7	54%	0.539	50%	0.497	S	S	.	.			trans	-78	103.7	-179.6	-69.6	171.4	0	0	0	108.5	K382 L385 T389	K382-L387 PolarHBondContact O-N 2.9Å; L385-L387 HydrophobicContact CB-CD1 3.85Å; L385-L387 HydrophobicContact CB-CG 3.79Å; L385-L387 HydrophobicContact CD1-CD1 3.92Å; L385-L387 PolarHBondContact O-N 3.13Å; L385-L387 VanDerWaalsContact O-N 3.13Å; L387-T389 VanDerWaalsContact C-N 3.34Å; L387-T389 PolarHBondContact O-N 2.82Å
388	Q	55.1	Low	66.2	Low	199 Å²	199	93.1 Å²	93.1	93%	0.93	49%	0.489	S	S	*	.			trans	-69.8	94.7	168.6	-65.4	-143.7	-12.9	0	0	109.2	L386	L386-Q388 PolarHBondContact O-N 3.27Å; L386-Q388 VanDerWaalsContact O-N 3.15Å
389	T	64.2	Low	66.6	Low	78 Å²	78	93.3 Å²	93.3	48%	0.479	49%	0.485	S	S	.	.	P	Polyproline II helix	trans	-80.7	140	167.9	47.5	0	0	0	0	109.8	K382 L387	K382-T389 HydrophobicContact CD-CG2 4.25Å; L387-T389 VanDerWaalsContact C-N 3.34Å; L387-T389 PolarHBondContact O-N 2.82Å
390	A	65.7	Low	67.3	Low	34 Å²	34	92.9 Å²	92.9	28%	0.281	49%	0.485	S	S	.	.	P	Polyproline II helix	trans	-58.2	142.6	173	0	0	0	0	0	110.6	E394 V395	A390-E394 WeakPolarHBondContact CA-OE2 3.42Å; A390-E394 HydrophobicContact CB-CB 4.4Å; A390-E394 HydrophobicContact CB-CG 4.39Å; A390-E394 WeakPolarHBondContact CB-OE2 3.32Å; A390-V395 HydrophobicContact CB-CG2 3.82Å
391	S	76	Confident	67.9	Low	58 Å²	58	95.4 Å²	95.4	41%	0.406	49%	0.488	S	S	.	.	P	Polyproline II helix	trans	-64.6	154.4	176.3	71.9	0	0	0	0	110.8	E393 E394 V395	S391-E393 PolarHBondContact O-N 2.85Å; S391-E394 WeakPolarHBondContact O-CB 3.47Å; S391-E394 PolarHBondContact O-N 3.44Å; S391-E394 WeakPolarHBondContact OG-CB 3.24Å; S391-E394 PolarHBondContact OG-N 3.09Å; S391-E394 VanDerWaalsContact OG-N 3.12Å; S391-V395 WeakPolarHBondContact O-CG2 3.45Å; S391-V395 PolarHBondContact O-N 2.63Å
392	P	72.6	Confident	69.3	Low	118 Å²	118	92.9 Å²	92.9	77%	0.766	47%	0.472	S	S	*	.	H	α-helix	trans	-55.2	-37.8	177.2	-26.1	34.7	0	0	0	112.7	V395 C396	P392-V395 PolarHBondContact O-N 2.88Å; P392-C396 WeakPolarHBondContact O-CB 3.42Å; P392-C396 PolarHBondContact O-N 2.93Å
393	E	77	Confident	70.4	Confident	142 Å²	142	94.3 Å²	94.3	66%	0.664	48%	0.482	S	S	*	.	H	α-helix	trans	-65.3	-43.6	175.8	-169.4	-178.4	178.4	0	0	111.9	S391 V395 C396 N397	S391-E393 PolarHBondContact O-N 2.85Å; E393-V395 VanDerWaalsContact C-N 3.33Å; E393-V395 PolarHBondContact O-N 3.49Å; E393-C396 WeakPolarHBondContact O-CB 2.93Å; E393-C396 PolarHBondContact O-N 3.2Å; E393-N397 WeakPolarHBondContact O-CB 3.19Å; E393-N397 VanDerWaalsContact O-CG 3.28Å; E393-N397 PolarHBondContact O-N 3.11Å; E393-N397 PolarHBondContact O-ND2 3.27Å
394	E	74.7	Confident	72	Confident	76 Å²	76	94 Å²	94	36%	0.355	48%	0.48	S	S	.	.	H	α-helix	trans	-63.3	-40.8	175.8	-173.6	179.9	-166.5	0	0	111.6	A390 S391 N397 R398	A390-E394 WeakPolarHBondContact CA-OE2 3.42Å; A390-E394 HydrophobicContact CB-CB 4.4Å; A390-E394 HydrophobicContact CB-CG 4.39Å; A390-E394 WeakPolarHBondContact CB-OE2 3.32Å; S391-E394 WeakPolarHBondContact O-CB 3.47Å; S391-E394 PolarHBondContact O-N 3.44Å; S391-E394 WeakPolarHBondContact OG-CB 3.24Å; S391-E394 PolarHBondContact OG-N 3.09Å; S391-E394 VanDerWaalsContact OG-N 3.12Å; E394-N397 PolarHBondContact O-N 3.32Å; E394-R398 WeakPolarHBondContact O-CB 3.22Å; E394-R398 WeakPolarHBondContact O-CG 3.29Å; E394-R398 PolarHBondContact O-N 3.07Å; E394-R398 IonicContact OE1-CZ 2.66Å; E394-R398 IonicContact OE1-NE 2.71Å; E394-R398 PolarHBondContact OE1-NE 3.45Å; E394-R398 IonicContact OE1-NH1 2.69Å; E394-R398 IonicContact OE1-NH2 2.69Å; E394-R398 PolarHBondContact OE1-NH2 2.76Å
395	V	71.6	Confident	73.6	Confident	60 Å²	60	90.3 Å²	90.3	36%	0.364	46%	0.463	S	S	.	.	H	α-helix	trans	-62.4	-43.4	174.4	175.9	0	0	0	0	110.9	F324 A390 S391 P392 E393 R398 R399	F324-V395 HydrophobicContact CD1-CG1 4.34Å; F324-V395 HydrophobicContact CE1-CG1 4.27Å; A390-V395 HydrophobicContact CB-CG2 3.82Å; S391-V395 WeakPolarHBondContact O-CG2 3.45Å; S391-V395 PolarHBondContact O-N 2.63Å; P392-V395 PolarHBondContact O-N 2.88Å; E393-V395 VanDerWaalsContact C-N 3.33Å; E393-V395 PolarHBondContact O-N 3.49Å; V395-R398 PolarHBondContact O-N 3.37Å; V395-R399 WeakPolarHBondContact O-CB 3.45Å; V395-R399 PolarHBondContact O-N 2.95Å
396	C	77.1	Confident	75	Confident	59 Å²	59	86.5 Å²	86.5	40%	0.399	45%	0.445	S	S	.	.	H	α-helix	trans	-62.8	-46.1	176.5	-171.3	0	0	0	0	111.9	P392 E393 R398 R399 N400	P392-C396 WeakPolarHBondContact O-CB 3.42Å; P392-C396 PolarHBondContact O-N 2.93Å; E393-C396 WeakPolarHBondContact O-CB 2.93Å; E393-C396 PolarHBondContact O-N 3.2Å; C396-R398 PolarHBondContact O-N 2.85Å; C396-R399 WeakPolarHBondContact O-CB 3.27Å; C396-R399 PolarHBondContact O-N 3.15Å; C396-R399 VanDerWaalsContact O-N 3.15Å; C396-N400 PolarHBondContact O-N 3.1Å; C396-N400 PolarHBondContact O-ND2 2.85Å
397	N	81.9	Confident	76.8	Confident	89 Å²	89	86.5 Å²	86.5	48%	0.476	44%	0.438	S	S	.	.	H	α-helix	trans	-62.6	-43.5	177.6	-72.6	-22	0	0	0	111.7	E393 E394 R399 N400 R401	E393-N397 WeakPolarHBondContact O-CB 3.19Å; E393-N397 VanDerWaalsContact O-CG 3.28Å; E393-N397 PolarHBondContact O-N 3.11Å; E393-N397 PolarHBondContact O-ND2 3.27Å; E394-N397 PolarHBondContact O-N 3.32Å; N397-R399 VanDerWaalsContact C-N 3.32Å; N397-R399 PolarHBondContact O-N 2.93Å; N397-N400 PolarHBondContact O-N 3.16Å; N397-R401 WeakPolarHBondContact O-CB 3.36Å; N397-R401 PolarHBondContact O-N 3.04Å
398	R	78.9	Confident	78.6	Confident	89 Å²	89	85.5 Å²	85.5	34%	0.336	44%	0.44	S	S	.	.	H	α-helix	trans	-61	-40.8	173.6	-74	170.9	177.3	-179.5	-3	111.6	F183 E394 V395 C396 W402	F183-R398 HydrophobicContact CZ-CB 4.36Å; F183-R398 HydrophobicContact CZ-CG 4.45Å; E394-R398 WeakPolarHBondContact O-CB 3.22Å; E394-R398 WeakPolarHBondContact O-CG 3.29Å; E394-R398 PolarHBondContact O-N 3.07Å; E394-R398 IonicContact OE1-CZ 2.66Å; E394-R398 IonicContact OE1-NE 2.71Å; E394-R398 PolarHBondContact OE1-NE 3.45Å; E394-R398 IonicContact OE1-NH1 2.69Å; E394-R398 IonicContact OE1-NH2 2.69Å; E394-R398 PolarHBondContact OE1-NH2 2.76Å; V395-R398 PolarHBondContact O-N 3.37Å; C396-R398 PolarHBondContact O-N 2.85Å; R398-W402 WeakPolarHBondContact O-CB 3.45Å; R398-W402 PolarHBondContact O-N 2.58Å
399	R	75.4	Confident	80.2	Confident	83 Å²	83	76.1 Å²	76.1	31%	0.313	40%	0.396	S	S	.	.	H	α-helix	trans	-61.3	-49.1	175.3	174	-179.8	-174.4	155.2	5.6	111.6	F324 V395 C396 N397 W402 L403	F324-R399 HydrophobicContact CD2-CG 4.5Å; F324-R399 HydrophobicContact CE1-CB 3.98Å; F324-R399 HydrophobicContact CE1-CG 4.13Å; F324-R399 HydrophobicContact CE2-CB 4.29Å; F324-R399 HydrophobicContact CE2-CG 3.55Å; F324-R399 HydrophobicContact CZ-CB 3.57Å; F324-R399 VanDerWaalsContact CZ-CD 3.41Å; F324-R399 HydrophobicContact CZ-CG 3.34Å; V395-R399 WeakPolarHBondContact O-CB 3.45Å; V395-R399 PolarHBondContact O-N 2.95Å; C396-R399 WeakPolarHBondContact O-CB 3.27Å; C396-R399 PolarHBondContact O-N 3.15Å; C396-R399 VanDerWaalsContact O-N 3.15Å; N397-R399 VanDerWaalsContact C-N 3.32Å; N397-R399 PolarHBondContact O-N 2.93Å; R399-W402 PolarHBondContact O-N 2.94Å; R399-L403 HydrophobicContact CG-CD1 4.16Å; R399-L403 WeakPolarHBondContact O-CG 3.31Å; R399-L403 PolarHBondContact O-N 2.86Å
400	N	83.7	Confident	81.5	Confident	72 Å²	72	79.4 Å²	79.4	39%	0.385	40%	0.404	S	S	.	.	H	α-helix	trans	-62.7	-46.8	-179.1	-69.9	-22.2	0	0	0	111	C396 N397 W402 L403 E404	C396-N400 PolarHBondContact O-N 3.1Å; C396-N400 PolarHBondContact O-ND2 2.85Å; N397-N400 PolarHBondContact O-N 3.16Å; N400-W402 VanDerWaalsContact C-N 3.31Å; N400-W402 PolarHBondContact O-N 3.3Å; N400-L403 PolarHBondContact O-N 2.89Å; N400-L403 VanDerWaalsContact O-N 3.12Å; N400-E404 WeakPolarHBondContact O-CG 3.24Å; N400-E404 PolarHBondContact O-N 2.8Å
401	R	83.5	Confident	82.6	Confident	110 Å²	110	81.3 Å²	81.3	42%	0.415	43%	0.427	S	S	.	.	H	α-helix	trans	-56.8	-43.5	173.9	-177.8	177.4	174	118.2	-5.8	112	F183 N397 L403 E404 I405	F183-R401 HydrophobicContact CD2-CG 4.19Å; F183-R401 HydrophobicContact CE2-CB 4.16Å; F183-R401 HydrophobicContact CE2-CG 3.94Å; F183-R401 PolarHBondContact O-NH2 2.9Å; N397-R401 WeakPolarHBondContact O-CB 3.36Å; N397-R401 PolarHBondContact O-N 3.04Å; R401-L403 VanDerWaalsContact C-N 3.34Å; R401-L403 PolarHBondContact O-N 2.73Å; R401-E404 PolarHBondContact O-N 2.9Å; R401-I405 HydrophobicContact CG-CD1 3.84Å; R401-I405 WeakPolarHBondContact O-CB 3.48Å; R401-I405 VanDerWaalsContact O-CG1 3.28Å; R401-I405 WeakPolarHBondContact O-CG1 3.17Å; R401-I405 PolarHBondContact O-N 3.19Å
402	W	83.1	Confident	83.3	Confident	37 Å²	37	80.8 Å²	80.8	14%	0.14	42%	0.421	C	S	.	.	H	α-helix	trans	-63.1	-39.7	177.4	-179.3	-99	0	0	0	112.6	H149 K179 F183 R398 R399 N400 T406	H149-W402 AromaticContact CE1-CE3 3.33Å; H149-W402 AromaticContact CE1-CH2 3.54Å; H149-W402 AromaticContact CE1-CZ3 3.04Å; H149-W402 WeakPolarHBondContact CE1-CZ3 3.48Å; H149-W402 AromaticContact NE2-CE3 3.75Å; H149-W402 AromaticContact NE2-CH2 3.16Å; H149-W402 WeakPolarHBondContact NE2-CH2 3.48Å; H149-W402 AromaticContact NE2-CZ2 3.71Å; H149-W402 AromaticContact NE2-CZ3 3.24Å; H149-W402 WeakPolarHBondContact NE2-CZ3 3.44Å; K179-W402 HydrophobicContact CB-CH2 3.53Å; K179-W402 HydrophobicContact CB-CZ2 4.18Å; K179-W402 HydrophobicContact CB-CZ3 3.83Å; K179-W402 HydrophobicContact CD-CH2 4.15Å; K179-W402 HydrophobicContact CD-CZ2 3.95Å; K179-W402 HydrophobicContact CG-CH2 4.44Å; F183-W402 HydrophobicContact CB-CE3 4.15Å; F183-W402 HydrophobicContact CB-CZ3 4.1Å; F183-W402 HydrophobicContact CD2-CB 4.3Å; F183-W402 AromaticContact CD2-CE3 3.59Å; F183-W402 HydrophobicContact CD2-CE3 3.59Å; F183-W402 HydrophobicContact CD2-CZ3 4.36Å; F183-W402 HydrophobicContact CE2-CB 4Å; F183-W402 HydrophobicContact CE2-CE3 4.21Å; F183-W402 AromaticContact CG-CE3 3.98Å; F183-W402 HydrophobicContact CG-CE3 3.98Å; F183-W402 HydrophobicContact CG-CZ3 4.32Å; R398-W402 WeakPolarHBondContact O-CB 3.45Å; R398-W402 PolarHBondContact O-N 2.58Å; R399-W402 PolarHBondContact O-N 2.94Å; N400-W402 VanDerWaalsContact C-N 3.31Å; N400-W402 PolarHBondContact O-N 3.3Å; W402-T406 VanDerWaalsContact O-CB 3.27Å; W402-T406 WeakPolarHBondContact O-CB 3.38Å; W402-T406 PolarHBondContact O-N 3.41Å; W402-T406 PolarHBondContact O-OG1 3.25Å
403	L	84.3	Confident	84.3	Confident	78 Å²	78	77.9 Å²	77.9	41%	0.408	40%	0.401	S	S	.	.	H	α-helix	trans	-67.5	-42.8	177.2	-71.7	168.6	0	0	0	112	R399 N400 R401 T406 K407	R399-L403 HydrophobicContact CG-CD1 4.16Å; R399-L403 WeakPolarHBondContact O-CG 3.31Å; R399-L403 PolarHBondContact O-N 2.86Å; N400-L403 PolarHBondContact O-N 2.89Å; N400-L403 VanDerWaalsContact O-N 3.12Å; R401-L403 VanDerWaalsContact C-N 3.34Å; R401-L403 PolarHBondContact O-N 2.73Å; L403-T406 PolarHBondContact O-N 3.39Å; L403-K407 WeakPolarHBondContact O-CG 3.4Å; L403-K407 PolarHBondContact O-N 3.45Å
404	E	89.2	Confident	85	Confident	130 Å²	130	75.6 Å²	75.6	61%	0.607	39%	0.389	S	S	*	.	H	α-helix	trans	-60.9	-47.1	174.8	-72.8	176.2	178.9	0	0	111.6	N400 R401 T406 K407 S408	N400-E404 WeakPolarHBondContact O-CG 3.24Å; N400-E404 PolarHBondContact O-N 2.8Å; R401-E404 PolarHBondContact O-N 2.9Å; E404-T406 VanDerWaalsContact C-N 3.33Å; E404-T406 PolarHBondContact O-N 2.86Å; E404-K407 WeakPolarHBondContact O-CB 3.34Å; E404-K407 PolarHBondContact O-N 3.19Å; E404-K407 VanDerWaalsContact O-N 3.1Å; E404-S408 PolarHBondContact O-N 3.24Å; E404-S408 PolarHBondContact O-OG 3.31Å
405	I	88.1	Confident	86	Confident	19 Å²	19	73.4 Å²	73.4	10%	0.097	38%	0.378	C	S	.	.	H	α-helix	trans	-62.8	-42.2	176.4	-72	172.8	0	0	0	110.7	H182 F183 R401 K407 S408 T409	H182-I405 HydrophobicContact CB-CG2 3.69Å; F183-I405 HydrophobicContact CB-CD1 4.04Å; F183-I405 HydrophobicContact CD2-CD1 3.85Å; F183-I405 HydrophobicContact CG-CD1 4.34Å; R401-I405 HydrophobicContact CG-CD1 3.84Å; R401-I405 WeakPolarHBondContact O-CB 3.48Å; R401-I405 VanDerWaalsContact O-CG1 3.28Å; R401-I405 WeakPolarHBondContact O-CG1 3.17Å; R401-I405 PolarHBondContact O-N 3.19Å; I405-K407 PolarHBondContact O-N 3.28Å; I405-S408 WeakPolarHBondContact CA-OG 3.43Å; I405-S408 PolarHBondContact O-N 3.39Å; I405-S408 PolarHBondContact O-OG 3.32Å; I405-T409 HydrophobicContact CG2-CG2 3.81Å; I405-T409 VanDerWaalsContact O-CB 3.28Å; I405-T409 WeakPolarHBondContact O-CB 3.44Å; I405-T409 VanDerWaalsContact O-CG2 3.26Å; I405-T409 WeakPolarHBondContact O-CG2 3.37Å; I405-T409 PolarHBondContact O-N 3.46Å; I405-T409 PolarHBondContact O-OG1 2.91Å
406	T	85.4	Confident	87	Confident	28 Å²	28	74.6 Å²	74.6	17%	0.172	38%	0.381	C	S	.	.	H	α-helix	trans	-59.4	-34.9	175.5	-65.9	0	0	0	0	111.6	W402 L403 E404 K410	W402-T406 VanDerWaalsContact O-CB 3.27Å; W402-T406 WeakPolarHBondContact O-CB 3.38Å; W402-T406 PolarHBondContact O-N 3.41Å; W402-T406 PolarHBondContact O-OG1 3.25Å; L403-T406 PolarHBondContact O-N 3.39Å; E404-T406 VanDerWaalsContact C-N 3.33Å; E404-T406 PolarHBondContact O-N 2.86Å; T406-K410 WeakPolarHBondContact O-CG 3.21Å
407	K	91	Very high	87.8	Confident	154 Å²	154	73.7 Å²	73.7	67%	0.67	38%	0.382	S	S	*	.	H	α-helix	trans	-73.9	-45.3	174.9	-70.1	173	-176.6	177.9	0	112.1	L403 E404 I405	L403-K407 WeakPolarHBondContact O-CG 3.4Å; L403-K407 PolarHBondContact O-N 3.45Å; E404-K407 WeakPolarHBondContact O-CB 3.34Å; E404-K407 PolarHBondContact O-N 3.19Å; E404-K407 VanDerWaalsContact O-N 3.1Å; I405-K407 PolarHBondContact O-N 3.28Å
408	S	91.3	Very high	88.6	Confident	82 Å²	82	69.6 Å²	69.6	57%	0.573	36%	0.36	S	S	*	.	H	α-helix	trans	-74.4	-26.4	-175.6	67.6	0	0	0	0	113.6	E404 I405	E404-S408 PolarHBondContact O-N 3.24Å; E404-S408 PolarHBondContact O-OG 3.31Å; I405-S408 WeakPolarHBondContact CA-OG 3.43Å; I405-S408 PolarHBondContact O-N 3.39Å; I405-S408 PolarHBondContact O-OG 3.32Å
409	T	90.4	Very high	89.4	Confident	3 Å²	3	65.9 Å²	65.9	2%	0.018	35%	0.348	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.7	-1.5	179.5	57.8	0	0	0	0	113.8	V178 H182 I405 G411 V412	V178-T409 HydrophobicContact CG1-CG2 4.06Å; H182-T409 HydrophobicContact CB-CG2 3.87Å; H182-T409 VanDerWaalsContact CG-CG2 3.47Å; I405-T409 HydrophobicContact CG2-CG2 3.81Å; I405-T409 VanDerWaalsContact O-CB 3.28Å; I405-T409 WeakPolarHBondContact O-CB 3.44Å; I405-T409 VanDerWaalsContact O-CG2 3.26Å; I405-T409 WeakPolarHBondContact O-CG2 3.37Å; I405-T409 PolarHBondContact O-N 3.46Å; I405-T409 PolarHBondContact O-OG1 2.91Å; T409-G411 PolarHBondContact O-N 2.94Å; T409-V412 WeakPolarHBondContact O-CB 3.44Å; T409-V412 PolarHBondContact O-N 3.07Å
410	K	89.8	Confident	90.4	Very high	146 Å²	146	65.5 Å²	65.5	64%	0.635	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.7	122.6	176.2	-68.3	-166.9	178.2	-176.5	0	110.3	T406 V412	T406-K410 WeakPolarHBondContact O-CG 3.21Å; K410-V412 PolarHBondContact O-N 3.16Å
411	G	89.4	Confident	91	Very high	74 Å²	74	63.6 Å²	63.6	76%	0.763	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	77.2	0.9	-179.1	0	0	0	0	0	114.9	T409 T413	T409-G411 PolarHBondContact O-N 2.94Å; G411-T413 PolarHBondContact O-N 3.41Å
412	V	92	Very high	91.7	Very high	48 Å²	48	59.8 Å²	59.8	29%	0.291	33%	0.327	S	S	.	.			trans	-73.1	120.5	172.9	176.5	0	0	0	0	108.9	V178 T409 K410 K414	V178-V412 HydrophobicContact CG1-CB 3.91Å; V178-V412 HydrophobicContact CG1-CG1 3.69Å; T409-V412 WeakPolarHBondContact O-CB 3.44Å; T409-V412 PolarHBondContact O-N 3.07Å; K410-V412 PolarHBondContact O-N 3.16Å; V412-K414 WeakPolarHBondContact CG1-O 3.37Å
413	T	91.8	Very high	92.3	Very high	56 Å²	56	61 Å²	61	34%	0.344	34%	0.335	S	S	.	.			trans	-106.2	-6.4	-173	57.8	0	0	0	0	114.7	V172 L173 G411	V172-T413 HydrophobicContact CB-CG2 4.23Å; V172-T413 HydrophobicContact CG1-CG2 3.62Å; V172-T413 HydrophobicContact CG2-CG2 3.68Å; L173-T413 PolarHBondContact N-O 2.89Å; G411-T413 PolarHBondContact O-N 3.41Å
414	K	93.1	Very high	92.9	Very high	94 Å²	94	57.3 Å²	57.3	41%	0.409	32%	0.316	S	S	.	.			trans	-144.5	161.3	-168.9	62.5	-177.4	-179.1	180	0	111.1	K212 L213 V412 L416	K212-K414 WeakPolarHBondContact O-CB 3.46Å; L213-K414 WeakPolarHBondContact O-CA 3.32Å; L213-K414 WeakPolarHBondContact O-CB 3.36Å; V412-K414 WeakPolarHBondContact CG1-O 3.37Å; K414-L416 HydrophobicContact CD-CD2 4.4Å
415	W	95.7	Very high	93.3	Very high	31 Å²	31	51.1 Å²	51.1	12%	0.117	29%	0.287	C	S	.	.			trans	-130.1	120	178.1	177.4	-116.3	0	0	0	110.5	L173 L181 H182 N185 S189 L213 T214 G417 F418	L173-W415 HydrophobicContact CD1-CB 3.6Å; L181-W415 HydrophobicContact CB-CD2 3.95Å; L181-W415 HydrophobicContact CB-CE3 4.19Å; L181-W415 HydrophobicContact CB-CG 4.38Å; L181-W415 HydrophobicContact CB-CH2 4.46Å; L181-W415 HydrophobicContact CB-CZ2 4.23Å; L181-W415 HydrophobicContact CB-CZ3 4.45Å; L181-W415 HydrophobicContact CD1-CB 3.93Å; L181-W415 HydrophobicContact CD1-CD2 4.16Å; L181-W415 HydrophobicContact CD1-CG 3.7Å; L181-W415 WeakPolarHBondContact O-CH2 3.44Å; H182-W415 AromaticContact CD2-CZ3 3.83Å; H182-W415 AromaticContact CE1-CE3 3.54Å; H182-W415 AromaticContact CE1-CZ3 3.53Å; H182-W415 AromaticContact CG-CZ3 3.85Å; H182-W415 AromaticContact ND1-CE3 3.87Å; H182-W415 AromaticContact ND1-CZ3 3.66Å; H182-W415 AromaticContact NE2-CZ3 3.64Å; N185-W415 HydrophobicContact CB-CH2 4.01Å; S189-W415 PolarHBondContact OG-NE1 3.16Å; L213-W415 PolarHBondContact O-N 2.83Å; T214-W415 WeakPolarHBondContact CA-O 3.46Å; W415-G417 VanDerWaalsContact C-N 3.34Å; W415-G417 VanDerWaalsContact NE1-C 3.29Å; W415-F418 HydrophobicContact CB-CD2 4.11Å; W415-F418 HydrophobicContact CB-CE2 3.68Å; W415-F418 HydrophobicContact CB-CZ 4.16Å; W415-F418 AromaticContact CD1-CD1 3.81Å; W415-F418 AromaticContact CD1-CD2 3.66Å; W415-F418 AromaticContact CD1-CE1 3.84Å; W415-F418 AromaticContact CD1-CE2 3.72Å; W415-F418 AromaticContact CD1-CG 3.73Å; W415-F418 AromaticContact CD1-CZ 3.79Å; W415-F418 HydrophobicContact CG-CD2 4.29Å; W415-F418 HydrophobicContact CG-CE2 4.12Å; W415-F418 HydrophobicContact CG-CZ 4.36Å; W415-F418 WeakPolarHBondContact O-CD2 3.44Å
416	L	92.5	Very high	93.6	Very high	84 Å²	84	50.7 Å²	50.7	44%	0.44	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.3	-9.5	-176	-52.9	179.2	0	0	0	112.8	T214 I217 K414	T214-L416 WeakPolarHBondContact O-CD2 3.22Å; I217-L416 HydrophobicContact CD1-CD1 4.48Å; I217-L416 HydrophobicContact CD1-CD2 4.36Å; K414-L416 HydrophobicContact CD-CD2 4.4Å
417	G	93.8	Very high	94	Very high	41 Å²	41	57.6 Å²	57.6	42%	0.423	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92	12.4	-173.8	0	0	0	0	0	114.6	S189 W415 S419	S189-G417 PolarHBondContact OG-O 3.22Å; S189-G417 VanDerWaalsContact OG-O 3.08Å; W415-G417 VanDerWaalsContact C-N 3.34Å; W415-G417 VanDerWaalsContact NE1-C 3.29Å; G417-S419 PolarHBondContact O-N 3.16Å
418	F	97.5	Very high	94.1	Very high	2 Å²	2	55.9 Å²	55.9	1%	0.009	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.8	125.3	174.7	-74.2	-59.8	0	0	0	110.3	V160 L173 L181 S189 L191 T214 H219 W415	V160-F418 HydrophobicContact CB-CE1 3.95Å; V160-F418 HydrophobicContact CB-CZ 4.24Å; V160-F418 HydrophobicContact CG1-CZ 4.35Å; V160-F418 HydrophobicContact CG2-CE1 3.76Å; V160-F418 HydrophobicContact CG2-CZ 4.24Å; L173-F418 HydrophobicContact CD1-CE2 4.04Å; L173-F418 HydrophobicContact CD1-CZ 4.3Å; L181-F418 HydrophobicContact CD1-CE1 4.41Å; L181-F418 HydrophobicContact CD1-CZ 4.08Å; S189-F418 CarbonylContact O-C 3.59Å; S189-F418 WeakPolarHBondContact O-CA 3.39Å; L191-F418 HydrophobicContact CB-CD1 3.7Å; L191-F418 HydrophobicContact CB-CD2 4.08Å; L191-F418 HydrophobicContact CB-CE1 3.77Å; L191-F418 HydrophobicContact CB-CE2 4.12Å; L191-F418 HydrophobicContact CB-CG 3.87Å; L191-F418 HydrophobicContact CB-CZ 3.98Å; L191-F418 HydrophobicContact CD1-CE1 4.35Å; L191-F418 HydrophobicContact CD1-CE2 4.19Å; L191-F418 HydrophobicContact CD1-CZ 3.89Å; L191-F418 HydrophobicContact CD2-CD2 4.27Å; L191-F418 HydrophobicContact CD2-CE2 4.13Å; L191-F418 HydrophobicContact CG-CE2 4.38Å; L191-F418 HydrophobicContact CG-CZ 4.37Å; T214-F418 HydrophobicContact CG2-CB 4.4Å; T214-F418 HydrophobicContact CG2-CD2 3.72Å; T214-F418 HydrophobicContact CG2-CE2 4.49Å; T214-F418 HydrophobicContact CG2-CG 4.44Å; H219-F418 PolarHBondContact N-O 2.98Å; W415-F418 HydrophobicContact CB-CD2 4.11Å; W415-F418 HydrophobicContact CB-CE2 3.68Å; W415-F418 HydrophobicContact CB-CZ 4.16Å; W415-F418 AromaticContact CD1-CD1 3.81Å; W415-F418 AromaticContact CD1-CD2 3.66Å; W415-F418 AromaticContact CD1-CE1 3.84Å; W415-F418 AromaticContact CD1-CE2 3.72Å; W415-F418 AromaticContact CD1-CG 3.73Å; W415-F418 AromaticContact CD1-CZ 3.79Å; W415-F418 HydrophobicContact CG-CD2 4.29Å; W415-F418 HydrophobicContact CG-CE2 4.12Å; W415-F418 HydrophobicContact CG-CZ 4.36Å; W415-F418 WeakPolarHBondContact O-CD2 3.44Å
419	S	96.1	Very high	94.2	Very high	11 Å²	11	53 Å²	53	8%	0.077	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	-38.5	176.9	63.7	0	0	0	0	111.7	E188 S189 V190 V218 H219 G417	E188-S419 VanDerWaalsContact CG-OG 3.26Å; E188-S419 WeakPolarHBondContact CG-OG 3.34Å; E188-S419 WeakPolarHBondContact OE1-CB 3.36Å; E188-S419 PolarHBondContact OE1-OG 2.86Å; S189-S419 PolarHBondContact O-N 3.26Å; S189-S419 PolarHBondContact O-OG 3.06Å; V190-S419 WeakPolarHBondContact CG2-OG 3.44Å; V218-S419 WeakPolarHBondContact CG1-O 3.22Å; H219-S419 VanDerWaalsContact CB-O 3.28Å; H219-S419 WeakPolarHBondContact CB-O 3.29Å; H219-S419 PolarHBondContact N-O 3.15Å; G417-S419 PolarHBondContact O-N 3.16Å
420	E	96.7	Very high	94.4	Very high	75 Å²	75	57.4 Å²	57.4	35%	0.35	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.4	161.8	179.3	-80.1	-58.4	159	0	0	112	V190 L191 F422 F438	V190-E420 HydrophobicContact CG1-CB 4.35Å; L191-E420 PolarHBondContact N-O 3.32Å; E420-F422 HydrophobicContact CB-CD2 4.44Å; E420-F422 HydrophobicContact CB-CE2 3.82Å; E420-F438 HydrophobicContact CB-CE2 4.27Å; E420-F438 HydrophobicContact CB-CZ 4.14Å; E420-F438 HydrophobicContact CG-CD2 4.42Å; E420-F438 HydrophobicContact CG-CE2 3.66Å; E420-F438 HydrophobicContact CG-CZ 3.95Å
421	V	96.6	Very high	94.7	Very high	33 Å²	33	51.2 Å²	51.2	20%	0.2	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	122.8	176.4	-174.3	0	0	0	0	110.4	L191 L193 A210 T214 V218	L191-V421 HydrophobicContact CB-CG1 4.29Å; L191-V421 HydrophobicContact CB-CG2 4.14Å; L191-V421 HydrophobicContact CD2-CG1 4.08Å; L191-V421 HydrophobicContact CD2-CG2 4.23Å; L191-V421 HydrophobicContact CG-CG1 4.22Å; L191-V421 CarbonylContact O-C 3.53Å; L191-V421 WeakPolarHBondContact O-CA 3.47Å; L193-V421 HydrophobicContact CD1-CG1 4.3Å; L193-V421 HydrophobicContact CG-CG1 4.22Å; A210-V421 HydrophobicContact CB-CG1 4.23Å; T214-V421 HydrophobicContact CG2-CG2 3.94Å; V218-V421 HydrophobicContact CG1-CG2 4.07Å; V218-V421 HydrophobicContact CG2-CG2 3.7Å
422	F	97.7	Very high	95.1	Very high	29 Å²	29	47.9 Å²	47.9	13%	0.127	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	139.5	175.3	-70.3	-91.9	0	0	0	111.3	V190 L191 V192 L193 E420 V424 K434 L435 F438	V190-F422 HydrophobicContact CG1-CD2 3.71Å; V190-F422 HydrophobicContact CG1-CE2 3.99Å; L191-F422 PolarHBondContact O-N 2.74Å; V192-F422 CarbonylContact C-O 3.43Å; V192-F422 WeakPolarHBondContact CA-O 3.48Å; L193-F422 PolarHBondContact N-O 3.14Å; E420-F422 HydrophobicContact CB-CD2 4.44Å; E420-F422 HydrophobicContact CB-CE2 3.82Å; F422-V424 HydrophobicContact CB-CG1 4.25Å; F422-K434 HydrophobicContact CE1-CB 4.45Å; F422-L435 HydrophobicContact CB-CD1 4.29Å; F422-L435 HydrophobicContact CD1-CB 3.92Å; F422-L435 HydrophobicContact CD1-CD1 4.21Å; F422-L435 HydrophobicContact CD2-CD1 3.64Å; F422-L435 HydrophobicContact CE1-CB 4.37Å; F422-L435 HydrophobicContact CE2-CD1 4Å; F422-L435 HydrophobicContact CG-CB 4.19Å; F422-L435 HydrophobicContact CG-CD1 3.77Å; F422-L435 HydrophobicContact CG-CG 4.5Å; F422-L435 HydrophobicContact CZ-CD1 4.45Å; F422-F438 HydrophobicContact CE1-CB 4.12Å; F422-F438 HydrophobicContact CE2-CB 4.22Å; F422-F438 AromaticContact CE2-CD1 3.7Å; F422-F438 HydrophobicContact CE2-CD1 3.7Å; F422-F438 HydrophobicContact CE2-CD2 4.28Å; F422-F438 HydrophobicContact CE2-CE1 4.12Å; F422-F438 AromaticContact CE2-CG 3.8Å; F422-F438 HydrophobicContact CE2-CG 3.8Å; F422-F438 HydrophobicContact CZ-CB 3.45Å; F422-F438 VanDerWaalsContact CZ-CB 3.45Å; F422-F438 AromaticContact CZ-CD1 3.82Å; F422-F438 HydrophobicContact CZ-CD1 3.82Å; F422-F438 AromaticContact CZ-CD2 3.92Å; F422-F438 HydrophobicContact CZ-CD2 3.92Å; F422-F438 AromaticContact CZ-CG 3.44Å; F422-F438 HydrophobicContact CZ-CG 3.44Å; F422-F438 VanDerWaalsContact CZ-CG 3.44Å
423	M	95.6	Very high	95.3	Very high	63 Å²	63	49.9 Å²	49.9	31%	0.31	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	120.8	172.7	-65	177.4	-165.7	0	0	107.5	L193 I196 L206 L207	L193-M423 HydrophobicContact CB-CG 4.35Å; L193-M423 HydrophobicContact CD1-CG 4.32Å; I196-M423 HydrophobicContact CD1-CB 4.3Å; I196-M423 HydrophobicContact CG2-CB 4.12Å; L206-M423 HydrophobicContact CB-CE 3.82Å; L206-M423 HydrophobicContact CB-SD 3.73Å; L206-M423 HydrophobicContact CD1-SD 3.79Å; L206-M423 HydrophobicContact CG-SD 4.29Å; L207-M423 HydrophobicContact CD2-CE 3.94Å
424	V	97.1	Very high	95.6	Very high	0 Å²	0	54.8 Å²	54.8	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	155.6	-173.5	-53	0	0	0	0	112.5	L87 V192 L193 N194 K195 I196 F422 D430 I432 L435	L87-V424 HydrophobicContact CD1-CG2 4.13Å; V192-V424 HydrophobicContact CG1-CB 4.43Å; V192-V424 HydrophobicContact CG1-CG1 4.21Å; V192-V424 HydrophobicContact CG1-CG2 3.35Å; L193-V424 PolarHBondContact O-N 3.06Å; N194-V424 CarbonylContact C-O 3.47Å; N194-V424 WeakPolarHBondContact CA-O 3.39Å; N194-V424 HydrophobicContact CB-CG2 4.16Å; N194-V424 PolarHBondContact OD1-O 2.8Å; K195-V424 PolarHBondContact N-O 2.86Å; K195-V424 VanDerWaalsContact N-O 3.08Å; I196-V424 WeakPolarHBondContact CG1-O 3.17Å; I196-V424 PolarHBondContact N-O 3.47Å; F422-V424 HydrophobicContact CB-CG1 4.25Å; V424-D430 CarbonylContact C-O 3.48Å; V424-D430 WeakPolarHBondContact CA-O 3.44Å; V424-D430 WeakPolarHBondContact CB-O 3.31Å; V424-I432 HydrophobicContact CB-CD1 4.05Å; V424-I432 HydrophobicContact CG1-CD1 4.35Å; V424-I432 HydrophobicContact CG2-CD1 4.43Å; V424-L435 HydrophobicContact CG1-CD2 4.31Å
425	S	97	Very high	95.9	Very high	1 Å²	1	50.3 Å²	50.3	1%	0.007	27%	0.266	C	S	.	.			trans	-117.5	105	159.8	-180	0	0	0	0	108.6	D197 F427 I428 G429 D430	D197-S425 WeakPolarHBondContact OD1-CB 3.38Å; D197-S425 PolarHBondContact OD1-OG 3.31Å; S425-F427 PolarHBondContact O-N 2.93Å; S425-F427 VanDerWaalsContact O-N 3.14Å; S425-F427 PolarHBondContact OG-N 3.43Å; S425-I428 PolarHBondContact O-N 3.11Å; S425-I428 PolarHBondContact OG-N 3.47Å; S425-G429 WeakPolarHBondContact O-CA 3.14Å; S425-G429 PolarHBondContact O-N 3Å; S425-D430 PolarHBondContact N-O 2.87Å; S425-D430 PolarHBondContact O-N 3.07Å
426	S	94.8	Very high	96	Very high	10 Å²	10	49.8 Å²	49.8	7%	0.07	26%	0.264	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.8	-12.2	170.7	-47.5	0	0	0	0	113	L87 M90 N194	L87-S426 WeakPolarHBondContact CA-OG 3.41Å; L87-S426 WeakPolarHBondContact CB-OG 3.43Å; M90-S426 VanDerWaalsContact CG-O 3.28Å; M90-S426 WeakPolarHBondContact CG-O 3.3Å; N194-S426 PolarHBondContact ND2-OG 3.35Å; N194-S426 VanDerWaalsContact ND2-OG 3.12Å; N194-S426 PolarHBondContact OD1-N 3.48Å; N194-S426 VanDerWaalsContact OD1-N 3.08Å; N194-S426 PolarHBondContact OD1-OG 2.88Å
427	F	93.3	Very high	96.3	Very high	173 Å²	173	49.9 Å²	49.9	76%	0.759	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.6	-43.5	177.8	-179.2	-109.9	0	0	0	112	S425	S425-F427 PolarHBondContact O-N 2.93Å; S425-F427 VanDerWaalsContact O-N 3.14Å; S425-F427 PolarHBondContact OG-N 3.43Å
428	I	93.7	Very high	96.5	Very high	118 Å²	118	49.5 Å²	49.5	61%	0.605	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.9	-26.5	-176.7	-54.3	180	0	0	0	111.6	D197 S425	D197-I428 HydrophobicContact CB-CD1 3.6Å; D197-I428 HydrophobicContact CB-CG1 4.35Å; S425-I428 PolarHBondContact O-N 3.11Å; S425-I428 PolarHBondContact OG-N 3.47Å
429	G	94.4	Very high	96.5	Very high	21 Å²	21	49.4 Å²	49.4	22%	0.216	25%	0.251	C	S	.	.			trans	95.9	2.8	-171.5	0	0	0	0	0	114.5	S425 G431 I432	S425-G429 WeakPolarHBondContact O-CA 3.14Å; S425-G429 PolarHBondContact O-N 3Å; G429-G431 PolarHBondContact O-N 2.97Å; G429-I432 WeakPolarHBondContact O-CB 3.44Å; G429-I432 WeakPolarHBondContact O-CG1 3.46Å; G429-I432 PolarHBondContact O-N 3.42Å
430	D	94.9	Very high	96.6	Very high	95 Å²	95	50 Å²	50	51%	0.508	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.1	135	177.4	-170	12.6	0	0	0	111.4	I196 V424 S425 I432	I196-D430 HydrophobicContact CD1-CB 4.44Å; I196-D430 WeakPolarHBondContact CD1-OD2 3.3Å; V424-D430 CarbonylContact C-O 3.48Å; V424-D430 WeakPolarHBondContact CA-O 3.44Å; V424-D430 WeakPolarHBondContact CB-O 3.31Å; S425-D430 PolarHBondContact N-O 2.87Å; S425-D430 PolarHBondContact O-N 3.07Å; D430-I432 PolarHBondContact O-N 3.33Å; D430-I432 VanDerWaalsContact O-N 3.15Å
431	G	95.3	Very high	96.6	Very high	16 Å²	16	50.4 Å²	50.4	17%	0.165	27%	0.265	C	S	.	.	T	Hydrogen-bonded Turn	trans	71.3	-6.5	-178.9	0	0	0	0	0	116.4	G429 L435	G429-G431 PolarHBondContact O-N 2.97Å; G431-L435 PolarHBondContact O-N 3.31Å; G431-L435 VanDerWaalsContact O-N 3.15Å
432	I	97.8	Very high	96.6	Very high	4 Å²	4	51.9 Å²	51.9	2%	0.021	27%	0.269	C	S	.	.	H	α-helix	trans	-66.3	-42.4	-174.7	-62.2	-61.4	0	0	0	112.1	L87 M90 L91 V424 G429 D430 L435 R436	L87-I432 HydrophobicContact CD1-CD1 3.38Å; M90-I432 HydrophobicContact CB-CD1 4.21Å; M90-I432 HydrophobicContact CB-CG1 4.22Å; M90-I432 HydrophobicContact CB-CG2 4.13Å; L91-I432 HydrophobicContact CD2-CG2 4.01Å; L91-I432 HydrophobicContact CG-CG2 4.48Å; V424-I432 HydrophobicContact CB-CD1 4.05Å; V424-I432 HydrophobicContact CG1-CD1 4.35Å; V424-I432 HydrophobicContact CG2-CD1 4.43Å; G429-I432 WeakPolarHBondContact O-CB 3.44Å; G429-I432 WeakPolarHBondContact O-CG1 3.46Å; G429-I432 PolarHBondContact O-N 3.42Å; D430-I432 PolarHBondContact O-N 3.33Å; D430-I432 VanDerWaalsContact O-N 3.15Å; I432-L435 PolarHBondContact O-N 3.15Å; I432-R436 WeakPolarHBondContact O-CB 3.44Å; I432-R436 PolarHBondContact O-N 2.89Å
433	D	97	Very high	96.5	Very high	91 Å²	91	50.9 Å²	50.9	49%	0.487	27%	0.266	S	S	.	.	H	α-helix	trans	-64.9	-44.5	-178.5	-65.4	-33.2	0	0	0	111.4	L435 R436 D437	D433-L435 VanDerWaalsContact C-N 3.31Å; D433-L435 PolarHBondContact O-N 3.02Å; D433-R436 WeakPolarHBondContact O-CB 3.44Å; D433-R436 PolarHBondContact O-N 3.22Å; D433-R436 VanDerWaalsContact O-N 3.09Å; D433-R436 IonicContact OD1-CZ 3.99Å; D433-R436 IonicContact OD1-NH1 2.79Å; D433-R436 PolarHBondContact OD1-NH1 2.84Å; D433-R436 IonicContact OD1-NH2 2.81Å; D433-R436 PolarHBondContact OD1-NH2 2.87Å; D433-D437 PolarHBondContact O-N 3.26Å
434	K	97.7	Very high	96.5	Very high	159 Å²	159	50.6 Å²	50.6	69%	0.691	27%	0.265	S	S	*	.	H	α-helix	trans	-60.2	-40.8	175.5	-66.9	-179.3	-179.9	175.5	0	112.4	F422 F438	F422-K434 HydrophobicContact CE1-CB 4.45Å; K434-F438 WeakPolarHBondContact O-CB 3.4Å; K434-F438 PolarHBondContact O-N 3.07Å; K434-F438 VanDerWaalsContact O-N 3.09Å
435	L	98.5	Very high	96.4	Very high	0 Å²	0	54.2 Å²	54.2	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-64.3	-43.8	174.8	174.1	59.8	0	0	0	110.8	L87 L91 L159 V192 F422 V424 G431 I432 D433 F438 L439	L87-L435 HydrophobicContact CD1-CD2 4.19Å; L91-L435 HydrophobicContact CD1-CD2 4.28Å; L91-L435 HydrophobicContact CD2-CD2 4.16Å; L91-L435 HydrophobicContact CD2-CG 4.16Å; L159-L435 HydrophobicContact CD1-CD1 4.17Å; L159-L435 HydrophobicContact CD2-CD2 4.49Å; V192-L435 HydrophobicContact CG2-CD1 4.46Å; V192-L435 HydrophobicContact CG2-CD2 4.1Å; F422-L435 HydrophobicContact CB-CD1 4.29Å; F422-L435 HydrophobicContact CD1-CB 3.92Å; F422-L435 HydrophobicContact CD1-CD1 4.21Å; F422-L435 HydrophobicContact CD2-CD1 3.64Å; F422-L435 HydrophobicContact CE1-CB 4.37Å; F422-L435 HydrophobicContact CE2-CD1 4Å; F422-L435 HydrophobicContact CG-CB 4.19Å; F422-L435 HydrophobicContact CG-CD1 3.77Å; F422-L435 HydrophobicContact CG-CG 4.5Å; F422-L435 HydrophobicContact CZ-CD1 4.45Å; V424-L435 HydrophobicContact CG1-CD2 4.31Å; G431-L435 PolarHBondContact O-N 3.31Å; G431-L435 VanDerWaalsContact O-N 3.15Å; I432-L435 PolarHBondContact O-N 3.15Å; D433-L435 VanDerWaalsContact C-N 3.31Å; D433-L435 PolarHBondContact O-N 3.02Å; L435-F438 PolarHBondContact O-N 3.43Å; L435-L439 HydrophobicContact CD1-CD1 4.27Å; L435-L439 HydrophobicContact CD1-CG 4.28Å; L435-L439 HydrophobicContact CG-CD1 4.29Å; L435-L439 VanDerWaalsContact O-CG 3.3Å; L435-L439 WeakPolarHBondContact O-CG 3.29Å; L435-L439 PolarHBondContact O-N 3.47Å
436	R	97.9	Very high	95.9	Very high	19 Å²	19	60 Å²	60	7%	0.072	32%	0.324	C	S	.	.	H	α-helix	trans	-62.5	-47.1	177.9	-171.4	174.3	66	-116.9	-9	111.6	L91 Y114 L121 I432 D433 F438 L439 V440	L91-R436 HydrophobicContact CD2-CB 4.09Å; Y114-R436 HydrophobicContact CD1-CG 4.47Å; Y114-R436 HydrophobicContact CE1-CG 4.16Å; L121-R436 HydrophobicContact CD1-CG 4.31Å; I432-R436 WeakPolarHBondContact O-CB 3.44Å; I432-R436 PolarHBondContact O-N 2.89Å; D433-R436 WeakPolarHBondContact O-CB 3.44Å; D433-R436 PolarHBondContact O-N 3.22Å; D433-R436 VanDerWaalsContact O-N 3.09Å; D433-R436 IonicContact OD1-CZ 3.99Å; D433-R436 IonicContact OD1-NH1 2.79Å; D433-R436 PolarHBondContact OD1-NH1 2.84Å; D433-R436 IonicContact OD1-NH2 2.81Å; D433-R436 PolarHBondContact OD1-NH2 2.87Å; R436-F438 VanDerWaalsContact C-N 3.3Å; R436-F438 PolarHBondContact O-N 3.2Å; R436-L439 PolarHBondContact O-N 3.04Å; R436-L439 VanDerWaalsContact O-N 3.07Å; R436-V440 HydrophobicContact CG-CG2 4.49Å; R436-V440 WeakPolarHBondContact O-CG2 3.46Å; R436-V440 PolarHBondContact O-N 2.85Å
437	D	97.9	Very high	95.5	Very high	87 Å²	87	64 Å²	64	47%	0.465	34%	0.337	S	S	.	.	H	α-helix	trans	-61.2	-40.3	179.5	-62.9	-17.9	0	0	0	111.4	D433 V440 S441	D433-D437 PolarHBondContact O-N 3.26Å; D437-V440 PolarHBondContact O-N 3.49Å; D437-S441 PolarHBondContact O-N 3.42Å
438	F	98.3	Very high	95.2	Very high	33 Å²	33	60 Å²	60	15%	0.145	33%	0.332	C	S	.	.	H	α-helix	trans	-59.9	-47.1	171.7	169.4	-93.7	0	0	0	111.9	L157 V190 E420 F422 K434 L435 R436 V440 S441 K442	L157-F438 HydrophobicContact CD1-CE1 4.49Å; V190-F438 HydrophobicContact CG2-CE1 3.82Å; V190-F438 HydrophobicContact CG2-CZ 4.12Å; E420-F438 HydrophobicContact CB-CE2 4.27Å; E420-F438 HydrophobicContact CB-CZ 4.14Å; E420-F438 HydrophobicContact CG-CD2 4.42Å; E420-F438 HydrophobicContact CG-CE2 3.66Å; E420-F438 HydrophobicContact CG-CZ 3.95Å; F422-F438 HydrophobicContact CE1-CB 4.12Å; F422-F438 HydrophobicContact CE2-CB 4.22Å; F422-F438 AromaticContact CE2-CD1 3.7Å; F422-F438 HydrophobicContact CE2-CD1 3.7Å; F422-F438 HydrophobicContact CE2-CD2 4.28Å; F422-F438 HydrophobicContact CE2-CE1 4.12Å; F422-F438 AromaticContact CE2-CG 3.8Å; F422-F438 HydrophobicContact CE2-CG 3.8Å; F422-F438 HydrophobicContact CZ-CB 3.45Å; F422-F438 VanDerWaalsContact CZ-CB 3.45Å; F422-F438 AromaticContact CZ-CD1 3.82Å; F422-F438 HydrophobicContact CZ-CD1 3.82Å; F422-F438 AromaticContact CZ-CD2 3.92Å; F422-F438 HydrophobicContact CZ-CD2 3.92Å; F422-F438 AromaticContact CZ-CG 3.44Å; F422-F438 HydrophobicContact CZ-CG 3.44Å; F422-F438 VanDerWaalsContact CZ-CG 3.44Å; K434-F438 WeakPolarHBondContact O-CB 3.4Å; K434-F438 PolarHBondContact O-N 3.07Å; K434-F438 VanDerWaalsContact O-N 3.09Å; L435-F438 PolarHBondContact O-N 3.43Å; R436-F438 VanDerWaalsContact C-N 3.3Å; R436-F438 PolarHBondContact O-N 3.2Å; F438-V440 VanDerWaalsContact C-N 3.34Å; F438-V440 PolarHBondContact O-N 3.44Å; F438-S441 WeakPolarHBondContact O-CB 3.42Å; F438-S441 PolarHBondContact O-N 2.94Å; F438-S441 VanDerWaalsContact O-N 3.14Å; F438-S441 PolarHBondContact O-OG 3.5Å; F438-K442 HydrophobicContact CE1-CG 4.07Å; F438-K442 HydrophobicContact CE2-CG 4.32Å; F438-K442 HydrophobicContact CZ-CD 4.36Å; F438-K442 VanDerWaalsContact CZ-CE 3.47Å; F438-K442 HydrophobicContact CZ-CG 3.98Å; F438-K442 WeakPolarHBondContact O-CG 3.18Å; F438-K442 PolarHBondContact O-N 3.29Å
439	L	98.4	Very high	95	Very high	0 Å²	0	55 Å²	55	0%	0	31%	0.305	C	S	.	.	H	α-helix	trans	-64.9	-37.9	178.4	-66.4	174.5	0	0	0	112.1	L72 V74 L121 F123 L157 L435 R436 S441 K442 A443	L72-L439 HydrophobicContact CD2-CB 4.13Å; L72-L439 HydrophobicContact CD2-CD2 3.95Å; L72-L439 WeakPolarHBondContact CD2-O 3.18Å; V74-L439 HydrophobicContact CG2-CD2 4.24Å; L121-L439 HydrophobicContact CD1-CB 3.86Å; L121-L439 HydrophobicContact CD2-CB 4.32Å; F123-L439 HydrophobicContact CE1-CD1 3.65Å; F123-L439 HydrophobicContact CZ-CD1 4.01Å; L157-L439 HydrophobicContact CD1-CD2 4.31Å; L157-L439 HydrophobicContact CD2-CD2 4.09Å; L435-L439 HydrophobicContact CD1-CD1 4.27Å; L435-L439 HydrophobicContact CD1-CG 4.28Å; L435-L439 HydrophobicContact CG-CD1 4.29Å; L435-L439 VanDerWaalsContact O-CG 3.3Å; L435-L439 WeakPolarHBondContact O-CG 3.29Å; L435-L439 PolarHBondContact O-N 3.47Å; R436-L439 PolarHBondContact O-N 3.04Å; R436-L439 VanDerWaalsContact O-N 3.07Å; L439-S441 VanDerWaalsContact C-N 3.3Å; L439-S441 PolarHBondContact O-N 2.86Å; L439-K442 PolarHBondContact O-N 3.33Å; L439-K442 VanDerWaalsContact O-N 3.11Å; L439-A443 PolarHBondContact O-N 3.17Å
440	V	97.5	Very high	94.7	Very high	23 Å²	23	57.1 Å²	57.1	14%	0.139	31%	0.311	C	S	.	.	H	α-helix	trans	-59.4	-42.4	171.9	170.4	0	0	0	0	110.7	V119 L121 R436 D437 F438 K442 A443	V119-V440 HydrophobicContact CB-CG1 4.36Å; V119-V440 HydrophobicContact CG1-CG1 4.18Å; V119-V440 HydrophobicContact CG1-CG2 4.44Å; V119-V440 HydrophobicContact CG2-CG1 4.06Å; L121-V440 HydrophobicContact CD1-CG2 3.93Å; L121-V440 HydrophobicContact CG-CG2 4.45Å; R436-V440 HydrophobicContact CG-CG2 4.49Å; R436-V440 WeakPolarHBondContact O-CG2 3.46Å; R436-V440 PolarHBondContact O-N 2.85Å; D437-V440 PolarHBondContact O-N 3.49Å; F438-V440 VanDerWaalsContact C-N 3.34Å; F438-V440 PolarHBondContact O-N 3.44Å; V440-K442 PolarHBondContact O-N 3.29Å; V440-A443 WeakPolarHBondContact O-CB 3.49Å; V440-A443 PolarHBondContact O-N 3.45Å
441	S	96.8	Very high	94.3	Very high	83 Å²	83	53.4 Å²	53.4	58%	0.58	29%	0.291	S	S	*	.	H	α-helix	trans	-65.2	-21.5	177.5	81.5	0	0	0	0	113.8	D437 F438 L439	D437-S441 PolarHBondContact O-N 3.42Å; F438-S441 WeakPolarHBondContact O-CB 3.42Å; F438-S441 PolarHBondContact O-N 2.94Å; F438-S441 VanDerWaalsContact O-N 3.14Å; F438-S441 PolarHBondContact O-OG 3.5Å; L439-S441 VanDerWaalsContact C-N 3.3Å; L439-S441 PolarHBondContact O-N 2.86Å
442	K	97	Very high	93.8	Very high	65 Å²	65	52.9 Å²	52.9	28%	0.283	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90	-5.7	178.8	-68.8	-69.1	-173.3	154.5	0	113.7	L72 E188 F438 L439 V440 I444	L72-K442 HydrophobicContact CD1-CB 4.37Å; L72-K442 HydrophobicContact CD2-CB 3.95Å; E188-K442 WeakPolarHBondContact OE1-CE 3.3Å; E188-K442 IonicContact OE1-NZ 3.3Å; E188-K442 PolarHBondContact OE1-NZ 3.12Å; E188-K442 IonicContact OE2-NZ 3.71Å; E188-K442 PolarHBondContact OE2-NZ 2.78Å; F438-K442 HydrophobicContact CE1-CG 4.07Å; F438-K442 HydrophobicContact CE2-CG 4.32Å; F438-K442 HydrophobicContact CZ-CD 4.36Å; F438-K442 VanDerWaalsContact CZ-CE 3.47Å; F438-K442 HydrophobicContact CZ-CG 3.98Å; F438-K442 WeakPolarHBondContact O-CG 3.18Å; F438-K442 PolarHBondContact O-N 3.29Å; L439-K442 PolarHBondContact O-N 3.33Å; L439-K442 VanDerWaalsContact O-N 3.11Å; V440-K442 PolarHBondContact O-N 3.29Å; K442-I444 PolarHBondContact O-N 2.83Å
443	A	96.7	Very high	93	Very high	8 Å²	8	53.8 Å²	53.8	7%	0.066	29%	0.291	C	S	.	.	P	Polyproline II helix	trans	-64.6	134.5	-177.7	0	0	0	0	0	112.4	R70 L72 V119 L439 V440	R70-A443 HydrophobicContact CB-CB 3.71Å; L72-A443 HydrophobicContact CB-CB 4.25Å; V119-A443 HydrophobicContact CG1-CB 3.47Å; V119-A443 VanDerWaalsContact CG1-CB 3.47Å; L439-A443 PolarHBondContact O-N 3.17Å; V440-A443 WeakPolarHBondContact O-CB 3.49Å; V440-A443 PolarHBondContact O-N 3.45Å
444	I	95.5	Very high	92.2	Very high	57 Å²	57	50.1 Å²	50.1	29%	0.292	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	124.5	-169.9	-60.1	168.3	0	0	0	109.1	R70 V71 D156 K442 R447	R70-I444 CarbonylContact C-O 3.55Å; R70-I444 WeakPolarHBondContact CA-O 3.39Å; V71-I444 PolarHBondContact N-O 2.93Å; V71-I444 PolarHBondContact O-N 3.34Å; D156-I444 HydrophobicContact CB-CD1 4.16Å; K442-I444 PolarHBondContact O-N 2.83Å; I444-R447 VanDerWaalsContact CD1-CZ 3.47Å; I444-R447 VanDerWaalsContact CD1-NH2 3.32Å; I444-R447 HydrophobicContact CG2-CG 4.2Å
445	P	93.7	Very high	91.6	Very high	75 Å²	75	42.5 Å²	42.5	49%	0.487	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.8	165	-177.6	30.9	-36.5	0	0	0	113.7	A69 R70 R447	A69-P445 CarbonylContact O-C 3.56Å; R70-P445 HydrophobicContact CG-CB 4.01Å; P445-R447 PolarHBondContact O-N 2.85Å
446	T	86.7	Confident	91.1	Very high	122 Å²	122	42.5 Å²	42.5	75%	0.748	24%	0.238	S	C	*	.	S	Bend	trans	53.3	35.9	176.8	63.5	0	0	0	0	112.9	A69	A69-T446 PolarHBondContact O-N 3.18Å
447	R	86.9	Confident	90.8	Very high	94 Å²	94	41.6 Å²	41.6	36%	0.355	24%	0.235	S	C	.	.			trans	-110.6	138.5	174.8	-77.4	-166.7	176.3	-171.9	3.1	110	A69 V71 D156 I444 P445	A69-R447 WeakPolarHBondContact CB-O 3.31Å; A69-R447 PolarHBondContact O-N 2.75Å; V71-R447 HydrophobicContact CB-CB 3.86Å; V71-R447 HydrophobicContact CG2-CB 3.91Å; D156-R447 IonicContact OD1-CZ 2.69Å; D156-R447 VanDerWaalsContact OD1-CZ 3.3Å; D156-R447 IonicContact OD1-NH1 3.06Å; D156-R447 PolarHBondContact OD1-NH1 3.21Å; D156-R447 IonicContact OD1-NH2 2.66Å; D156-R447 PolarHBondContact OD1-NH2 2.85Å; D156-R447 IonicContact OD2-NH1 2.81Å; D156-R447 PolarHBondContact OD2-NH1 2.57Å; I444-R447 VanDerWaalsContact CD1-CZ 3.47Å; I444-R447 VanDerWaalsContact CD1-NH2 3.32Å; I444-R447 HydrophobicContact CG2-CG 4.2Å; P445-R447 PolarHBondContact O-N 2.85Å
448	S	87.2	Confident	90.2	Very high	91 Å²	91	40.2 Å²	40.2	64%	0.636	23%	0.227	S	C	*	.			trans	-71.1	144.6	175.9	-54.6	0	0	0	0	111.6	S65	S65-S448 WeakPolarHBondContact OG-CA 3.47Å
449	W	88.3	Confident	89.7	Confident	11 Å²	11	39.3 Å²	39.3	4%	0.042	22%	0.224	C	C	.	.			trans	-55.8	138.6	176	-57	133.5	0	0	0	111.7	P63 S65 A69 R70 V71 F115 N118 Q120 L451	P63-W449 HydrophobicContact CB-CB 3.71Å; P63-W449 WeakPolarHBondContact CB-O 3.48Å; S65-W449 VanDerWaalsContact CA-CD1 3.45Å; S65-W449 PolarHBondContact OG-N 3.17Å; A69-W449 HydrophobicContact CB-CD2 4.24Å; A69-W449 HydrophobicContact CB-CE3 4.46Å; A69-W449 HydrophobicContact CB-CH2 3.68Å; A69-W449 HydrophobicContact CB-CZ2 3.45Å; A69-W449 VanDerWaalsContact CB-CZ2 3.45Å; A69-W449 HydrophobicContact CB-CZ3 4.16Å; R70-W449 VanDerWaalsContact O-CZ3 3.22Å; R70-W449 WeakPolarHBondContact O-CZ3 3.34Å; V71-W449 HydrophobicContact CG2-CE3 3.44Å; V71-W449 VanDerWaalsContact CG2-CE3 3.44Å; V71-W449 HydrophobicContact CG2-CZ3 3.52Å; F115-W449 HydrophobicContact CD2-CZ2 4.49Å; F115-W449 HydrophobicContact CE2-CD2 4.44Å; F115-W449 AromaticContact CE2-CE2 3.79Å; F115-W449 HydrophobicContact CE2-CH2 4.13Å; F115-W449 AromaticContact CE2-CZ2 3.61Å; F115-W449 HydrophobicContact CE2-CZ2 3.61Å; F115-W449 HydrophobicContact CZ-CZ2 4.39Å; N118-W449 VanDerWaalsContact O-CH2 3.25Å; N118-W449 WeakPolarHBondContact O-CH2 3.39Å; Q120-W449 HydrophobicContact CB-CD2 4.23Å; Q120-W449 HydrophobicContact CB-CE3 3.16Å; Q120-W449 HydrophobicContact CB-CH2 4.06Å; Q120-W449 HydrophobicContact CB-CZ3 3.09Å; Q120-W449 HydrophobicContact CG-CE3 4.11Å; Q120-W449 HydrophobicContact CG-CZ3 4.42Å; W449-L451 WeakPolarHBondContact CB-O 3.45Å
450	I	88.6	Confident	89.3	Confident	67 Å²	67	41.8 Å²	41.8	34%	0.344	24%	0.235	S	C	.	.	S	Bend	trans	-74	-45.5	177	-65.4	164.3	0	0	0	109.7	V71 K73 A122	V71-I450 HydrophobicContact CG1-CD1 3.55Å; V71-I450 HydrophobicContact CG1-CG1 3.93Å; K73-I450 HydrophobicContact CB-CD1 4.17Å; K73-I450 HydrophobicContact CD-CD1 4.08Å; K73-I450 HydrophobicContact CG-CD1 4.39Å; A122-I450 HydrophobicContact CB-CD1 3.41Å; A122-I450 VanDerWaalsContact CB-CD1 3.41Å
451	L	87.2	Confident	88.9	Confident	16 Å²	16	40.8 Å²	40.8	8%	0.084	23%	0.229	C	C	.	.	S	Bend	trans	-122.2	152.3	172.9	-62.5	-179	0	0	0	109.8	T113 Q120 W449 M455 D458	T113-L451 HydrophobicContact CG2-CB 4.14Å; T113-L451 HydrophobicContact CG2-CD1 3.73Å; T113-L451 HydrophobicContact CG2-CG 4.03Å; Q120-L451 PolarHBondContact NE2-O 2.79Å; W449-L451 WeakPolarHBondContact CB-O 3.45Å; L451-M455 HydrophobicContact CB-CB 4.45Å; L451-M455 HydrophobicContact CD1-CG 4.4Å; L451-D458 HydrophobicContact CD1-CB 4.36Å; L451-D458 HydrophobicContact CD2-CB 4.32Å
452	P	83.6	Confident	88.7	Confident	6 Å²	6	38.9 Å²	38.9	4%	0.039	21%	0.214	C	C	.	.			trans	-54.5	148.7	170.7	-25.3	36	0	0	0	111.8	Q61 T454 M455	Q61-P452 HydrophobicContact CB-CB 3.76Å; Q61-P452 HydrophobicContact CB-CG 3.84Å; Q61-P452 VanDerWaalsContact O-CG 3.23Å; Q61-P452 WeakPolarHBondContact O-CG 3.49Å; P452-T454 PolarHBondContact O-N 3.38Å; P452-T454 VanDerWaalsContact O-N 3.1Å; P452-M455 PolarHBondContact O-N 3.28Å
453	P	81	Confident	88.4	Confident	23 Å²	23	37.8 Å²	37.8	15%	0.149	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.5	-23.7	-174.8	23.8	-33.6	0	0	0	113.4	Q45 F115 M455	Q45-P453 WeakPolarHBondContact CG-O 3.09Å; Q45-P453 PolarHBondContact NE2-O 2.89Å; F115-P453 HydrophobicContact CD1-CB 4.45Å; F115-P453 HydrophobicContact CD2-CB 4.2Å; F115-P453 HydrophobicContact CE1-CB 4.31Å; F115-P453 HydrophobicContact CE2-CB 4.04Å; F115-P453 HydrophobicContact CG-CB 4.39Å; F115-P453 HydrophobicContact CZ-CB 4.1Å; P453-M455 VanDerWaalsContact C-N 3.31Å
454	T	80.4	Confident	88.2	Confident	13 Å²	13	37.6 Å²	37.6	8%	0.08	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.4	-20.6	174.1	57.1	0	0	0	0	113.9	Q43 S46 Q61 P452	Q43-T454 HydrophobicContact CB-CG2 3.72Å; Q43-T454 HydrophobicContact CG-CG2 4.16Å; S46-T454 PolarHBondContact N-O 2.88Å; Q61-T454 PolarHBondContact NE2-OG1 3.16Å; Q61-T454 PolarHBondContact OE1-OG1 3.02Å; P452-T454 PolarHBondContact O-N 3.38Å; P452-T454 VanDerWaalsContact O-N 3.1Å
455	M	85.4	Confident	88.2	Confident	0 Å²	0	34.9 Å²	34.9	0%	0	19%	0.194	C	C	.	.	B	Isolated β-bridge	trans	-106.5	116	-167.1	-170.5	169.4	-178.6	0	0	110.9	Y54 L58 T113 L451 P452 P453 T457	Y54-M455 HydrophobicContact CD2-CE 3.66Å; Y54-M455 HydrophobicContact CE2-CE 3.29Å; L58-M455 HydrophobicContact CD1-CE 4.45Å; L58-M455 HydrophobicContact CD2-CE 3.72Å; L58-M455 HydrophobicContact CD2-SD 3.71Å; L58-M455 HydrophobicContact CG-CE 3.92Å; L58-M455 HydrophobicContact CG-SD 4.12Å; T113-M455 PolarHBondContact OG1-O 3.46Å; L451-M455 HydrophobicContact CB-CB 4.45Å; L451-M455 HydrophobicContact CD1-CG 4.4Å; P452-M455 PolarHBondContact O-N 3.28Å; P453-M455 VanDerWaalsContact C-N 3.31Å; M455-T457 WeakPolarHBondContact CE-O 3.4Å; M455-T457 WeakPolarHBondContact CG-O 3.21Å
456	I	88.9	Confident	88.2	Confident	0 Å²	0	34.6 Å²	34.6	0%	0	18%	0.183	C	C	.	.	S	Bend	trans	-86.4	-21.4	-175.7	-58.6	143.6	0	0	0	112.3	Q45 S46 V47 W94 V96 A112 T113	Q45-I456 HydrophobicContact CB-CD1 4.16Å; Q45-I456 HydrophobicContact CB-CG1 4.1Å; S46-I456 VanDerWaalsContact C-CD1 3.41Å; V47-I456 HydrophobicContact CG2-CD1 3.87Å; W94-I456 HydrophobicContact CB-CG2 3.94Å; W94-I456 HydrophobicContact CD2-CD1 3.35Å; W94-I456 HydrophobicContact CD2-CG1 3.9Å; W94-I456 HydrophobicContact CD2-CG2 3.94Å; W94-I456 HydrophobicContact CE3-CB 4.38Å; W94-I456 HydrophobicContact CE3-CD1 3.59Å; W94-I456 HydrophobicContact CE3-CG1 3.62Å; W94-I456 HydrophobicContact CE3-CG2 3.77Å; W94-I456 HydrophobicContact CG-CD1 4.01Å; W94-I456 HydrophobicContact CG-CG2 4.01Å; W94-I456 HydrophobicContact CH2-CD1 3.72Å; W94-I456 HydrophobicContact CH2-CG1 4.14Å; W94-I456 HydrophobicContact CZ2-CD1 3.42Å; W94-I456 VanDerWaalsContact CZ2-CD1 3.42Å; W94-I456 HydrophobicContact CZ2-CG1 4.32Å; W94-I456 HydrophobicContact CZ3-CD1 3.76Å; W94-I456 HydrophobicContact CZ3-CG1 3.75Å; V96-I456 HydrophobicContact CG1-CG2 4.12Å; A112-I456 CarbonylContact C-O 3.59Å; A112-I456 VanDerWaalsContact CA-O 3.3Å; A112-I456 WeakPolarHBondContact CA-O 3.48Å; T113-I456 PolarHBondContact N-O 3.47Å; T113-I456 VanDerWaalsContact OG1-C 3.28Å; T113-I456 VanDerWaalsContact OG1-CA 3.3Å; T113-I456 WeakPolarHBondContact OG1-CA 3.24Å; T113-I456 PolarHBondContact OG1-O 2.87Å; T113-I456 VanDerWaalsContact OG1-O 3.14Å
457	T	90.7	Very high	88.5	Confident	0 Å²	0	28.9 Å²	28.9	0%	0	15%	0.148	C	C	.	.	B	Isolated β-bridge	trans	-151.1	145.8	-173.1	174.8	0	0	0	0	110.3	V47 V96 T111 M455 Q459 L464	V47-T457 HydrophobicContact CG1-CG2 4.37Å; V96-T457 HydrophobicContact CG1-CG2 4.02Å; T111-T457 WeakPolarHBondContact O-CA 3.26Å; T111-T457 PolarHBondContact O-OG1 3.41Å; M455-T457 WeakPolarHBondContact CE-O 3.4Å; M455-T457 WeakPolarHBondContact CG-O 3.21Å; T457-Q459 WeakPolarHBondContact OG1-CB 3.49Å; T457-Q459 PolarHBondContact OG1-N 3.44Å; T457-L464 HydrophobicContact CG2-CD1 3.92Å
458	D	85.2	Confident	88.9	Confident	57 Å²	57	24.6 Å²	24.6	31%	0.305	13%	0.132	S	C	.	.	S	Bend	trans	-77.5	-9.5	174.2	62	-5.5	0	0	0	113	Y54 T111 L451	Y54-D458 WeakPolarHBondContact CE2-O 3.34Å; Y54-D458 PolarHBondContact OH-O 3.22Å; T111-D458 VanDerWaalsContact CB-CG 3.49Å; T111-D458 WeakPolarHBondContact CB-OD2 3.39Å; T111-D458 PolarHBondContact N-OD1 3.08Å; T111-D458 PolarHBondContact O-N 3.36Å; T111-D458 PolarHBondContact OG1-OD2 2.97Å; L451-D458 HydrophobicContact CD1-CB 4.36Å; L451-D458 HydrophobicContact CD2-CB 4.32Å
459	Q	88.5	Confident	89.3	Confident	15 Å²	15	20.2 Å²	20.2	7%	0.07	10%	0.102	C	C	.	.	S	Bend	trans	-75.4	137.6	-176.8	-65.6	178.6	73.9	0	0	113	Y54 T457 L464	Y54-Q459 WeakPolarHBondContact CE2-O 3.3Å; T457-Q459 WeakPolarHBondContact OG1-CB 3.49Å; T457-Q459 PolarHBondContact OG1-N 3.44Å; Q459-L464 HydrophobicContact CB-CD2 3.83Å; Q459-L464 HydrophobicContact CB-CG 3.97Å; Q459-L464 HydrophobicContact CG-CD2 4.42Å
460	E	88.7	Confident	89.5	Confident	52 Å²	52	19.9 Å²	19.9	24%	0.243	10%	0.1	C	C	.	.			trans	-63.3	145.5	170.6	-170.6	179.7	153.7	0	0	110.2	K51 Y54 T462 E463 L464	K51-E460 WeakPolarHBondContact CD-OE1 3.3Å; K51-E460 IonicContact NZ-OE1 3.31Å; K51-E460 IonicContact NZ-OE2 3.66Å; Y54-E460 HydrophobicContact CD1-CG 4.49Å; Y54-E460 HydrophobicContact CE1-CB 4.45Å; E460-T462 VanDerWaalsContact CG-OG1 3.3Å; E460-T462 WeakPolarHBondContact CG-OG1 3.4Å; E460-T462 PolarHBondContact O-N 3.01Å; E460-T462 VanDerWaalsContact O-N 3.16Å; E460-T462 PolarHBondContact OE1-OG1 3.42Å; E460-E463 WeakPolarHBondContact O-CB 3.38Å; E460-E463 PolarHBondContact O-N 2.94Å; E460-L464 PolarHBondContact O-N 3.13Å; E460-L464 VanDerWaalsContact O-N 3.15Å
461	P	89.9	Confident	89.7	Confident	1 Å²	1	16.7 Å²	16.7	1%	0.006	8%	0.084	C	C	.	.	H	α-helix	trans	-57.9	-33.5	-179.5	-25.6	36	0	0	0	113.2	P48 E463 L464 I465 F544	P48-P461 HydrophobicContact CB-CG 4.16Å; P48-P461 HydrophobicContact CG-CG 4.23Å; P48-P461 WeakPolarHBondContact O-CB 3.32Å; P48-P461 WeakPolarHBondContact O-CG 3.09Å; P461-E463 VanDerWaalsContact C-N 3.31Å; P461-E463 PolarHBondContact O-N 3.35Å; P461-L464 PolarHBondContact O-N 2.8Å; P461-I465 WeakPolarHBondContact O-CB 3.42Å; P461-I465 WeakPolarHBondContact O-CD1 3.25Å; P461-I465 VanDerWaalsContact O-CG1 3.22Å; P461-I465 WeakPolarHBondContact O-CG1 3.42Å; P461-I465 PolarHBondContact O-N 3.28Å; P461-F544 HydrophobicContact CB-CE1 4.38Å; P461-F544 HydrophobicContact CB-CZ 4.27Å
462	T	91.9	Very high	90.1	Very high	43 Å²	43	17 Å²	17	26%	0.264	9%	0.085	S	C	.	.	H	α-helix	trans	-61.5	-39.2	175.4	53.6	0	0	0	0	111.9	E460 R466 V489	E460-T462 VanDerWaalsContact CG-OG1 3.3Å; E460-T462 WeakPolarHBondContact CG-OG1 3.4Å; E460-T462 PolarHBondContact O-N 3.01Å; E460-T462 VanDerWaalsContact O-N 3.16Å; E460-T462 PolarHBondContact OE1-OG1 3.42Å; T462-R466 VanDerWaalsContact O-CB 3.24Å; T462-R466 WeakPolarHBondContact O-CB 3.29Å; T462-R466 PolarHBondContact O-N 2.86Å; T462-V489 HydrophobicContact CG2-CB 4.4Å; T462-V489 HydrophobicContact CG2-CG1 4.26Å; T462-V489 WeakPolarHBondContact O-CG2 3.39Å
463	E	90.7	Very high	90.5	Very high	43 Å²	43	16.7 Å²	16.7	20%	0.201	8%	0.083	C	C	.	.	H	α-helix	trans	-69.2	-43	176.7	-178.5	54.1	-148.5	0	0	111.2	E460 P461 I465 R466 M467	E460-E463 WeakPolarHBondContact O-CB 3.38Å; E460-E463 PolarHBondContact O-N 2.94Å; P461-E463 VanDerWaalsContact C-N 3.31Å; P461-E463 PolarHBondContact O-N 3.35Å; E463-I465 PolarHBondContact O-N 3.06Å; E463-R466 WeakPolarHBondContact O-CB 3.5Å; E463-R466 PolarHBondContact O-N 2.73Å; E463-R466 IonicContact OE1-CZ 3.3Å; E463-R466 VanDerWaalsContact OE1-CZ 3.31Å; E463-R466 IonicContact OE1-NE 3.12Å; E463-R466 IonicContact OE1-NH2 2.72Å; E463-R466 PolarHBondContact OE1-NH2 3.38Å; E463-R466 IonicContact OE2-CZ 2.62Å; E463-R466 IonicContact OE2-NE 2.73Å; E463-R466 PolarHBondContact OE2-NE 3.5Å; E463-R466 IonicContact OE2-NH2 2.97Å; E463-R466 PolarHBondContact OE2-NH2 2.7Å; E463-M467 WeakPolarHBondContact O-CB 3.42Å; E463-M467 VanDerWaalsContact O-CG 3.31Å; E463-M467 WeakPolarHBondContact O-CG 3.48Å; E463-M467 PolarHBondContact O-N 3.15Å; E463-M467 WeakPolarHBondContact OE1-CG 3.3Å
464	L	93.2	Very high	90.9	Very high	3 Å²	3	15.6 Å²	15.6	2%	0.016	8%	0.076	C	C	.	.	H	α-helix	trans	-60.3	-44.6	175.3	-64.5	174.1	0	0	0	111.9	V47 V96 T457 Q459 E460 P461 M467 C468 M543	V47-L464 HydrophobicContact CG1-CD1 3.3Å; V96-L464 WeakPolarHBondContact O-CD2 3.3Å; T457-L464 HydrophobicContact CG2-CD1 3.92Å; Q459-L464 HydrophobicContact CB-CD2 3.83Å; Q459-L464 HydrophobicContact CB-CG 3.97Å; Q459-L464 HydrophobicContact CG-CD2 4.42Å; E460-L464 PolarHBondContact O-N 3.13Å; E460-L464 VanDerWaalsContact O-N 3.15Å; P461-L464 PolarHBondContact O-N 2.8Å; L464-M467 PolarHBondContact O-N 3.05Å; L464-C468 WeakPolarHBondContact O-CB 2.96Å; L464-C468 PolarHBondContact O-N 2.83Å; L464-M543 HydrophobicContact CB-CE 3.64Å; L464-M543 HydrophobicContact CB-SD 4Å; L464-M543 HydrophobicContact CD1-CE 4.31Å; L464-M543 HydrophobicContact CD1-SD 4.38Å
465	I	95	Very high	91.4	Very high	0 Å²	0	18.6 Å²	18.6	0%	0	9%	0.092	C	C	.	.	H	α-helix	trans	-62.9	-46.2	176.1	-68.7	161	0	0	0	110.6	P461 E463 M467 C468 V469 V489 C492 I506 V508 L540 F544	P461-I465 WeakPolarHBondContact O-CB 3.42Å; P461-I465 WeakPolarHBondContact O-CD1 3.25Å; P461-I465 VanDerWaalsContact O-CG1 3.22Å; P461-I465 WeakPolarHBondContact O-CG1 3.42Å; P461-I465 PolarHBondContact O-N 3.28Å; E463-I465 PolarHBondContact O-N 3.06Å; I465-M467 VanDerWaalsContact C-N 3.31Å; I465-M467 PolarHBondContact O-N 3.13Å; I465-C468 WeakPolarHBondContact O-CB 3.3Å; I465-C468 PolarHBondContact O-N 2.87Å; I465-V469 WeakPolarHBondContact O-CG2 3.05Å; I465-V469 PolarHBondContact O-N 3.01Å; I465-V489 HydrophobicContact CB-CG2 4Å; I465-V489 HydrophobicContact CD1-CG1 4.41Å; I465-V489 HydrophobicContact CG2-CG1 4.32Å; I465-V489 HydrophobicContact CG2-CG2 3.65Å; I465-C492 HydrophobicContact CD1-CB 4.09Å; I465-C492 WeakPolarHBondContact CD1-SG 3.4Å; I465-I506 HydrophobicContact CD1-CD1 3.85Å; I465-I506 HydrophobicContact CD1-CG1 4.25Å; I465-I506 HydrophobicContact CD1-CG2 3.96Å; I465-I506 HydrophobicContact CG1-CD1 4.24Å; I465-I506 HydrophobicContact CG1-CG2 4.47Å; I465-I506 HydrophobicContact CG2-CG2 3.75Å; I465-V508 HydrophobicContact CG2-CG2 3.67Å; I465-L540 HydrophobicContact CG1-CD1 4.23Å; I465-L540 HydrophobicContact CG1-CD2 3.95Å; I465-L540 HydrophobicContact CG2-CD1 4.32Å; I465-F544 HydrophobicContact CD1-CE2 4.02Å; I465-F544 HydrophobicContact CD1-CZ 3.97Å; I465-F544 HydrophobicContact CG1-CE2 3.95Å; I465-F544 HydrophobicContact CG1-CZ 3.88Å
466	R	94.5	Very high	91.6	Very high	69 Å²	69	23.3 Å²	23.3	26%	0.26	11%	0.112	S	C	.	.	H	α-helix	trans	-57.9	-45.4	178	-170.2	-176.6	70.7	83.7	-5.1	110.9	T462 E463 W470 I487 V489	T462-R466 VanDerWaalsContact O-CB 3.24Å; T462-R466 WeakPolarHBondContact O-CB 3.29Å; T462-R466 PolarHBondContact O-N 2.86Å; E463-R466 WeakPolarHBondContact O-CB 3.5Å; E463-R466 PolarHBondContact O-N 2.73Å; E463-R466 IonicContact OE1-CZ 3.3Å; E463-R466 VanDerWaalsContact OE1-CZ 3.31Å; E463-R466 IonicContact OE1-NE 3.12Å; E463-R466 IonicContact OE1-NH2 2.72Å; E463-R466 PolarHBondContact OE1-NH2 3.38Å; E463-R466 IonicContact OE2-CZ 2.62Å; E463-R466 IonicContact OE2-NE 2.73Å; E463-R466 PolarHBondContact OE2-NE 3.5Å; E463-R466 IonicContact OE2-NH2 2.97Å; E463-R466 PolarHBondContact OE2-NH2 2.7Å; R466-W470 WeakPolarHBondContact O-CB 3.09Å; R466-W470 PolarHBondContact O-N 2.78Å; R466-I487 HydrophobicContact CB-CG2 4.44Å; R466-I487 WeakPolarHBondContact CD-O 3.4Å; R466-I487 HydrophobicContact CG-CB 3.86Å; R466-I487 HydrophobicContact CG-CG2 3.81Å; R466-V489 HydrophobicContact CB-CG2 4.31Å
467	M	92.8	Very high	91.7	Very high	2 Å²	2	23.7 Å²	23.7	1%	0.01	11%	0.114	C	C	.	.	H	α-helix	trans	-69	-35.7	178.1	-71.3	-67.5	88.5	0	0	113.4	A98 E463 L464 I465 W470 S471	A98-M467 HydrophobicContact CB-CB 3.89Å; A98-M467 WeakPolarHBondContact CB-O 3.17Å; E463-M467 WeakPolarHBondContact O-CB 3.42Å; E463-M467 VanDerWaalsContact O-CG 3.31Å; E463-M467 WeakPolarHBondContact O-CG 3.48Å; E463-M467 PolarHBondContact O-N 3.15Å; E463-M467 WeakPolarHBondContact OE1-CG 3.3Å; L464-M467 PolarHBondContact O-N 3.05Å; I465-M467 VanDerWaalsContact C-N 3.31Å; I465-M467 PolarHBondContact O-N 3.13Å; M467-W470 HydrophobicContact CE-CB 3.89Å; M467-W470 HydrophobicContact CE-CG 3.9Å; M467-W470 WeakPolarHBondContact O-CB 3.46Å; M467-W470 PolarHBondContact O-N 3.07Å; M467-S471 WeakPolarHBondContact O-CB 3.49Å; M467-S471 PolarHBondContact O-N 2.96Å
468	C	95	Very high	91.1	Very high	4 Å²	4	30.6 Å²	30.6	3%	0.027	15%	0.146	C	C	.	.	H	α-helix	trans	-61.1	-54.6	172.3	175.1	0	0	0	0	111	L464 I465 W470 S471 H472 L540	L464-C468 WeakPolarHBondContact O-CB 2.96Å; L464-C468 PolarHBondContact O-N 2.83Å; I465-C468 WeakPolarHBondContact O-CB 3.3Å; I465-C468 PolarHBondContact O-N 2.87Å; C468-W470 VanDerWaalsContact C-N 3.27Å; C468-W470 PolarHBondContact O-N 2.89Å; C468-S471 PolarHBondContact O-N 3.45Å; C468-S471 VanDerWaalsContact O-N 3.17Å; C468-S471 PolarHBondContact O-OG 2.65Å; C468-H472 PolarHBondContact O-CD2 2.87Å; C468-H472 VanDerWaalsContact O-CD2 3.28Å; C468-H472 PolarHBondContact O-N 2.86Å; C468-L540 HydrophobicContact CB-CD2 3.97Å
469	V	95	Very high	90.5	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-58.8	-42	177.4	177.4	0	0	0	0	111	I465 S471 H472 C473 I487 V508 I510 V536 L552	I465-V469 WeakPolarHBondContact O-CG2 3.05Å; I465-V469 PolarHBondContact O-N 3.01Å; V469-S471 PolarHBondContact O-N 3.16Å; V469-H472 PolarHBondContact O-N 2.87Å; V469-C473 WeakPolarHBondContact O-CB 3.49Å; V469-C473 PolarHBondContact O-N 2.92Å; V469-C473 PolarHBondContact O-SG 3.38Å; V469-I487 HydrophobicContact CB-CD1 4.29Å; V469-I487 HydrophobicContact CB-CG2 4.11Å; V469-I487 HydrophobicContact CG1-CD1 3.96Å; V469-I487 HydrophobicContact CG1-CG1 4.47Å; V469-I487 HydrophobicContact CG1-CG2 4.03Å; V469-V508 HydrophobicContact CG2-CG1 4.25Å; V469-V508 HydrophobicContact CG2-CG2 4.26Å; V469-I510 HydrophobicContact CG1-CD1 4.06Å; V469-I510 HydrophobicContact CG1-CG1 4.26Å; V469-V536 HydrophobicContact CB-CG2 4.38Å; V469-V536 HydrophobicContact CG2-CG1 3.81Å; V469-V536 HydrophobicContact CG2-CG2 3.93Å; V469-L552 HydrophobicContact CG2-CD2 4.09Å
470	W	92.6	Very high	89.7	Confident	3 Å²	3	41.3 Å²	41.3	1%	0.011	20%	0.195	C	C	.	.	H	α-helix	trans	-54.5	-51.1	175	172.8	-113	0	0	0	112.6	T105 R466 M467 C468 H472 C473 L474 P482 Y483 I487	T105-W470 PolarHBondContact O-NE1 3.32Å; R466-W470 WeakPolarHBondContact O-CB 3.09Å; R466-W470 PolarHBondContact O-N 2.78Å; M467-W470 HydrophobicContact CE-CB 3.89Å; M467-W470 HydrophobicContact CE-CG 3.9Å; M467-W470 WeakPolarHBondContact O-CB 3.46Å; M467-W470 PolarHBondContact O-N 3.07Å; C468-W470 VanDerWaalsContact C-N 3.27Å; C468-W470 PolarHBondContact O-N 2.89Å; W470-H472 VanDerWaalsContact C-N 3.31Å; W470-H472 PolarHBondContact O-N 2.92Å; W470-C473 WeakPolarHBondContact O-CB 3.44Å; W470-C473 PolarHBondContact O-N 3.15Å; W470-L474 HydrophobicContact CD2-CD1 4.37Å; W470-L474 HydrophobicContact CD2-CG 4.41Å; W470-L474 HydrophobicContact CG-CD1 4.45Å; W470-L474 HydrophobicContact CZ2-CD1 4.02Å; W470-L474 HydrophobicContact CZ2-CD2 3.96Å; W470-L474 HydrophobicContact CZ2-CG 4.03Å; W470-L474 VanDerWaalsContact NE1-CD1 3.29Å; W470-L474 PolarHBondContact O-N 3.21Å; W470-P482 HydrophobicContact CH2-CB 4.02Å; W470-P482 WeakPolarHBondContact CH2-O 3.36Å; W470-P482 HydrophobicContact CZ3-CB 4.25Å; W470-P482 WeakPolarHBondContact CZ3-O 3.27Å; W470-Y483 HydrophobicContact CH2-CD1 4.01Å; W470-Y483 AromaticContact CZ2-CD1 3.99Å; W470-Y483 HydrophobicContact CZ2-CD1 3.99Å; W470-Y483 HydrophobicContact CZ2-CE1 4.18Å; W470-I487 VanDerWaalsContact CA-CD1 3.45Å; W470-I487 HydrophobicContact CB-CD1 3.77Å; W470-I487 HydrophobicContact CE3-CD1 3.83Å
471	S	93.2	Very high	89	Confident	0 Å²	0	39.8 Å²	39.8	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-62	-38.6	-178.7	79.9	0	0	0	0	112.5	M467 C468 V469 L474 N475	M467-S471 WeakPolarHBondContact O-CB 3.49Å; M467-S471 PolarHBondContact O-N 2.96Å; C468-S471 PolarHBondContact O-N 3.45Å; C468-S471 VanDerWaalsContact O-N 3.17Å; C468-S471 PolarHBondContact O-OG 2.65Å; V469-S471 PolarHBondContact O-N 3.16Å; S471-L474 WeakPolarHBondContact O-CB 3.48Å; S471-L474 PolarHBondContact O-N 3.36Å; S471-N475 VanDerWaalsContact O-CG 3.31Å; S471-N475 PolarHBondContact O-N 3.19Å; S471-N475 PolarHBondContact O-ND2 2.96Å; S471-N475 VanDerWaalsContact O-ND2 3.13Å
472	H	94.7	Very high	88.4	Confident	23 Å²	23	39.7 Å²	39.7	11%	0.106	19%	0.187	C	C	.	.	H	α-helix	trans	-71.6	-36.8	176.2	-74.2	-67	0	0	0	112.2	C468 V469 W470 L474 N475 K476 I532 A535 V536 E539	C468-H472 PolarHBondContact O-CD2 2.87Å; C468-H472 VanDerWaalsContact O-CD2 3.28Å; C468-H472 PolarHBondContact O-N 2.86Å; V469-H472 PolarHBondContact O-N 2.87Å; W470-H472 VanDerWaalsContact C-N 3.31Å; W470-H472 PolarHBondContact O-N 2.92Å; H472-L474 VanDerWaalsContact C-N 3.33Å; H472-N475 PolarHBondContact O-N 3.44Å; H472-K476 WeakPolarHBondContact O-CB 3.48Å; H472-K476 WeakPolarHBondContact O-CG 3.41Å; H472-K476 PolarHBondContact O-N 2.96Å; H472-I532 HydrophobicContact CB-CG2 4.08Å; H472-A535 VanDerWaalsContact CE1-CB 3.47Å; H472-A535 WeakPolarHBondContact CE1-CB 3.38Å; H472-A535 WeakPolarHBondContact ND1-CB 3.21Å; H472-V536 HydrophobicContact CB-CG2 4.03Å; H472-V536 VanDerWaalsContact CD2-CG2 3.46Å; H472-V536 WeakPolarHBondContact CD2-CG2 3.35Å; H472-E539 IonicContact CE1-OE2 3.42Å; H472-E539 IonicContact NE2-OE2 3.11Å; H472-E539 PolarHBondContact NE2-OE2 2.94Å; H472-E539 VanDerWaalsContact NE2-OE2 3.09Å
473	C	92.8	Very high	87.7	Confident	0 Å²	0	41.1 Å²	41.1	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-61.7	-42.6	170.9	-69.4	0	0	0	0	111.1	V469 W470 N475 K476 L477 L485	V469-C473 WeakPolarHBondContact O-CB 3.49Å; V469-C473 PolarHBondContact O-N 2.92Å; V469-C473 PolarHBondContact O-SG 3.38Å; W470-C473 WeakPolarHBondContact O-CB 3.44Å; W470-C473 PolarHBondContact O-N 3.15Å; C473-N475 VanDerWaalsContact C-N 3.35Å; C473-N475 PolarHBondContact O-N 3.1Å; C473-K476 PolarHBondContact O-N 2.89Å; C473-L477 HydrophobicContact CB-CD1 3.96Å; C473-L477 VanDerWaalsContact O-CB 3.24Å; C473-L477 WeakPolarHBondContact O-CB 3.49Å; C473-L477 VanDerWaalsContact O-CG 3.31Å; C473-L477 WeakPolarHBondContact O-CG 3.29Å; C473-L477 PolarHBondContact O-N 3.42Å; C473-L485 HydrophobicContact CB-CD1 4.16Å
474	L	89.3	Confident	87.3	Confident	0 Å²	0	40.5 Å²	40.5	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-57.5	-47.9	173.1	-78.2	171.3	0	0	0	111.1	S100 K102 T105 W470 S471 H472 P482 Y483	S100-L474 WeakPolarHBondContact OG-CB 3.27Å; K102-L474 HydrophobicContact CB-CB 4.39Å; K102-L474 HydrophobicContact CB-CD2 4.31Å; K102-L474 HydrophobicContact CD-CB 4.17Å; K102-L474 HydrophobicContact CD-CD2 4.02Å; K102-L474 WeakPolarHBondContact CD-O 3.32Å; K102-L474 WeakPolarHBondContact CE-O 3.31Å; K102-L474 PolarHBondContact NZ-O 2.87Å; T105-L474 HydrophobicContact CG2-CD1 4.11Å; W470-L474 HydrophobicContact CD2-CD1 4.37Å; W470-L474 HydrophobicContact CD2-CG 4.41Å; W470-L474 HydrophobicContact CG-CD1 4.45Å; W470-L474 HydrophobicContact CZ2-CD1 4.02Å; W470-L474 HydrophobicContact CZ2-CD2 3.96Å; W470-L474 HydrophobicContact CZ2-CG 4.03Å; W470-L474 VanDerWaalsContact NE1-CD1 3.29Å; W470-L474 PolarHBondContact O-N 3.21Å; S471-L474 WeakPolarHBondContact O-CB 3.48Å; S471-L474 PolarHBondContact O-N 3.36Å; H472-L474 VanDerWaalsContact C-N 3.33Å; L474-P482 HydrophobicContact CD2-CB 3.57Å; L474-P482 HydrophobicContact CD2-CG 4.03Å; L474-P482 HydrophobicContact CG-CB 4.13Å; L474-Y483 HydrophobicContact CD2-CE1 4.02Å
475	N	91	Very high	87	Confident	76 Å²	76	40.9 Å²	40.9	41%	0.406	19%	0.191	S	C	.	.	H	α-helix	trans	-67.4	-38.2	-178.4	-69.9	-34.5	0	0	0	113.4	S100 G101 S471 H472 C473	S100-N475 WeakPolarHBondContact CA-OD1 3.28Å; S100-N475 WeakPolarHBondContact CB-OD1 3.41Å; S100-N475 PolarHBondContact OG-OD1 2.89Å; G101-N475 PolarHBondContact N-OD1 2.87Å; G101-N475 VanDerWaalsContact N-OD1 3.08Å; S471-N475 VanDerWaalsContact O-CG 3.31Å; S471-N475 PolarHBondContact O-N 3.19Å; S471-N475 PolarHBondContact O-ND2 2.96Å; S471-N475 VanDerWaalsContact O-ND2 3.13Å; H472-N475 PolarHBondContact O-N 3.44Å; C473-N475 VanDerWaalsContact C-N 3.35Å; C473-N475 PolarHBondContact O-N 3.1Å
476	K	90.6	Very high	86.7	Confident	98 Å²	98	46.1 Å²	46.1	43%	0.426	22%	0.215	S	C	.	.	H	α-helix	trans	-91.9	-35.7	-171.4	-71.5	-70	-175.2	168.8	0	114.3	H472 C473 E531 I532	H472-K476 WeakPolarHBondContact O-CB 3.48Å; H472-K476 WeakPolarHBondContact O-CG 3.41Å; H472-K476 PolarHBondContact O-N 2.96Å; C473-K476 PolarHBondContact O-N 2.89Å; K476-E531 IonicContact NZ-OE2 3.58Å; K476-E531 PolarHBondContact NZ-OE2 3.44Å; K476-I532 HydrophobicContact CB-CD1 4.07Å; K476-I532 HydrophobicContact CB-CG1 3.84Å; K476-I532 HydrophobicContact CG-CG1 3.83Å
477	L	89.6	Confident	86.6	Confident	8 Å²	8	43.5 Å²	43.5	4%	0.042	21%	0.206	C	C	.	.	S	Bend	trans	-88.2	145.4	-178.3	-51.9	173.9	0	0	0	109.5	K102 C473 I481 P482 L485 V521 T528 I532	K102-L477 PolarHBondContact NZ-O 3.09Å; C473-L477 HydrophobicContact CB-CD1 3.96Å; C473-L477 VanDerWaalsContact O-CB 3.24Å; C473-L477 WeakPolarHBondContact O-CB 3.49Å; C473-L477 VanDerWaalsContact O-CG 3.31Å; C473-L477 WeakPolarHBondContact O-CG 3.29Å; C473-L477 PolarHBondContact O-N 3.42Å; L477-I481 HydrophobicContact CD1-CG2 4.15Å; L477-P482 HydrophobicContact CB-CG 3.99Å; L477-P482 HydrophobicContact CD1-CG 4.49Å; L477-L485 HydrophobicContact CD1-CD1 3.58Å; L477-V521 HydrophobicContact CD1-CG2 3.86Å; L477-V521 HydrophobicContact CD2-CG2 4.39Å; L477-T528 HydrophobicContact CD2-CG2 3.96Å; L477-I532 HydrophobicContact CD2-CD1 4.41Å
478	Q	79.8	Confident	86.6	Confident	145 Å²	145	45.9 Å²	45.9	68%	0.678	22%	0.218	S	C	*	.			trans	-93.2	173.2	178	-63.7	179.3	-0.2	0	0	111.4
479	Q	72.6	Confident	86.6	Confident	139 Å²	139	47 Å²	47	65%	0.65	23%	0.225	S	C	*	.	T	Hydrogen-bonded Turn	trans	56.8	-152.3	172.5	-56.2	176.8	-20.1	0	0	112.7	I481	Q479-I481 VanDerWaalsContact C-N 3.26Å; Q479-I481 PolarHBondContact O-N 2.98Å
480	E	70.5	Confident	86.4	Confident	159 Å²	159	50.1 Å²	50.1	74%	0.743	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	-85.5	6.4	-177	-60.8	-178.9	172.1	0	0	113.5	Y483	E480-Y483 PolarHBondContact O-N 3.42Å
481	I	75.1	Confident	86.3	Confident	19 Å²	19	52.8 Å²	52.8	10%	0.097	26%	0.256	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.1	-51.5	-175.4	-58.1	171.7	0	0	0	111.7	L477 Q479 Y483 S484 L485 Q517 R520	L477-I481 HydrophobicContact CD1-CG2 4.15Å; Q479-I481 VanDerWaalsContact C-N 3.26Å; Q479-I481 PolarHBondContact O-N 2.98Å; I481-Y483 VanDerWaalsContact C-N 3.27Å; I481-Y483 PolarHBondContact O-N 3.49Å; I481-S484 PolarHBondContact O-N 3.36Å; I481-S484 VanDerWaalsContact O-N 3.11Å; I481-S484 PolarHBondContact O-OG 3.23Å; I481-L485 HydrophobicContact CG2-CD2 4.31Å; I481-Q517 HydrophobicContact CG2-CB 4.26Å; I481-Q517 HydrophobicContact CG2-CG 4.23Å; I481-R520 HydrophobicContact CD1-CB 3.87Å; I481-R520 HydrophobicContact CD1-CG 3.92Å
482	P	76.1	Confident	86.2	Confident	0 Å²	0	53.3 Å²	53.3	0%	0	26%	0.26	C	S	.	.	G	3₁₀ helix	trans	-51.4	-46	-178.5	-27.7	36.1	0	0	0	112.6	W470 L474 L477 S484 L485	W470-P482 HydrophobicContact CH2-CB 4.02Å; W470-P482 WeakPolarHBondContact CH2-O 3.36Å; W470-P482 HydrophobicContact CZ3-CB 4.25Å; W470-P482 WeakPolarHBondContact CZ3-O 3.27Å; L474-P482 HydrophobicContact CD2-CB 3.57Å; L474-P482 HydrophobicContact CD2-CG 4.03Å; L474-P482 HydrophobicContact CG-CB 4.13Å; L477-P482 HydrophobicContact CB-CG 3.99Å; L477-P482 HydrophobicContact CD1-CG 4.49Å; P482-S484 PolarHBondContact O-N 2.9Å; P482-L485 WeakPolarHBondContact O-CB 3.4Å; P482-L485 PolarHBondContact O-N 2.97Å
483	Y	77.3	Confident	86	Confident	73 Å²	73	56.5 Å²	56.5	29%	0.286	28%	0.277	S	S	.	.	G	3₁₀ helix	trans	-58.7	-19	-176.1	-55.8	-68	0	0	0	115.4	A103 W470 L474 E480 I481	A103-Y483 PolarHBondContact O-OH 2.91Å; W470-Y483 HydrophobicContact CH2-CD1 4.01Å; W470-Y483 AromaticContact CZ2-CD1 3.99Å; W470-Y483 HydrophobicContact CZ2-CD1 3.99Å; W470-Y483 HydrophobicContact CZ2-CE1 4.18Å; L474-Y483 HydrophobicContact CD2-CE1 4.02Å; E480-Y483 PolarHBondContact O-N 3.42Å; I481-Y483 VanDerWaalsContact C-N 3.27Å; I481-Y483 PolarHBondContact O-N 3.49Å
484	S	81.9	Confident	85.7	Confident	30 Å²	30	61.6 Å²	61.6	21%	0.21	30%	0.3	C	S	.	.	G	3₁₀ helix	trans	-102.5	1.5	177.2	63.2	0	0	0	0	115.1	I481 P482 Q517	I481-S484 PolarHBondContact O-N 3.36Å; I481-S484 VanDerWaalsContact O-N 3.11Å; I481-S484 PolarHBondContact O-OG 3.23Å; P482-S484 PolarHBondContact O-N 2.9Å; S484-Q517 VanDerWaalsContact OG-CD 3.3Å; S484-Q517 PolarHBondContact OG-NE2 3.32Å; S484-Q517 PolarHBondContact OG-OE1 3.24Å
485	L	86.7	Confident	85.6	Confident	10 Å²	10	64.3 Å²	64.3	5%	0.052	31%	0.314	C	S	.	.			trans	-82.7	135.5	178.8	-59.1	179.5	0	0	0	110.8	C473 L477 I481 P482 I510 V521	C473-L485 HydrophobicContact CB-CD1 4.16Å; L477-L485 HydrophobicContact CD1-CD1 3.58Å; I481-L485 HydrophobicContact CG2-CD2 4.31Å; P482-L485 WeakPolarHBondContact O-CB 3.4Å; P482-L485 PolarHBondContact O-N 2.97Å; L485-I510 HydrophobicContact CB-CG2 4.26Å; L485-I510 HydrophobicContact CD1-CG2 3.93Å; L485-I510 HydrophobicContact CD2-CG2 4.02Å; L485-I510 HydrophobicContact CG-CG2 4.29Å; L485-V521 HydrophobicContact CD1-CG2 4.24Å; L485-V521 HydrophobicContact CD2-CG2 4Å
486	H	89.6	Confident	85.1	Confident	111 Å²	111	69 Å²	69	51%	0.514	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	111.1	167	-57.2	-89	0	0	0	109.3	R511	H486-R511 HydrophobicContact CB-CB 4.16Å; H486-R511 PolarHBondContact N-O 3Å; H486-R511 PolarHBondContact O-N 2.85Å
487	I	92.2	Very high	84.3	Confident	14 Å²	14	67.2 Å²	67.2	7%	0.072	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	120.8	179.7	-59.2	171.6	0	0	0	108	R466 V469 W470 V508 R509	R466-I487 HydrophobicContact CB-CG2 4.44Å; R466-I487 WeakPolarHBondContact CD-O 3.4Å; R466-I487 HydrophobicContact CG-CB 3.86Å; R466-I487 HydrophobicContact CG-CG2 3.81Å; V469-I487 HydrophobicContact CB-CD1 4.29Å; V469-I487 HydrophobicContact CB-CG2 4.11Å; V469-I487 HydrophobicContact CG1-CD1 3.96Å; V469-I487 HydrophobicContact CG1-CG1 4.47Å; V469-I487 HydrophobicContact CG1-CG2 4.03Å; W470-I487 VanDerWaalsContact CA-CD1 3.45Å; W470-I487 HydrophobicContact CB-CD1 3.77Å; W470-I487 HydrophobicContact CE3-CD1 3.83Å; I487-V508 HydrophobicContact CG2-CG1 3.51Å; I487-R509 WeakPolarHBondContact CA-O 3.24Å
488	I	93.5	Very high	83.7	Confident	52 Å²	52	75.4 Å²	75.4	27%	0.267	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	126	-178	-58.4	174	0	0	0	107.9	V508 R509 R511	I488-V508 CarbonylContact O-C 3.56Å; I488-V508 WeakPolarHBondContact O-CA 3.1Å; I488-V508 VanDerWaalsContact O-CG1 3.27Å; I488-V508 WeakPolarHBondContact O-CG1 3.24Å; I488-R509 PolarHBondContact N-O 3.01Å; I488-R509 PolarHBondContact O-N 3.32Å; I488-R511 HydrophobicContact CD1-CG 4.26Å
489	V	93.3	Very high	83.4	Confident	27 Å²	27	72.9 Å²	72.9	16%	0.164	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	112.5	170.9	-175.3	0	0	0	0	106.9	T462 I465 R466 C492 V508	T462-V489 HydrophobicContact CG2-CB 4.4Å; T462-V489 HydrophobicContact CG2-CG1 4.26Å; T462-V489 WeakPolarHBondContact O-CG2 3.39Å; I465-V489 HydrophobicContact CB-CG2 4Å; I465-V489 HydrophobicContact CD1-CG1 4.41Å; I465-V489 HydrophobicContact CG2-CG1 4.32Å; I465-V489 HydrophobicContact CG2-CG2 3.65Å; R466-V489 HydrophobicContact CB-CG2 4.31Å; V489-C492 HydrophobicContact CG1-CB 4.28Å; V489-V508 HydrophobicContact CG2-CG1 4.47Å; V489-V508 HydrophobicContact CG2-CG2 4.35Å
490	D	92.4	Very high	83.4	Confident	66 Å²	66	69.3 Å²	69.3	35%	0.353	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	-37.6	-179.8	-70.2	-37.1	0	0	0	111.6	H507 R509	D490-H507 PolarHBondContact N-O 2.91Å; D490-H507 IonicContact OD2-CE1 3.21Å; D490-H507 PolarHBondContact OD2-CE1 2.9Å; D490-H507 IonicContact OD2-ND1 2.82Å; D490-H507 IonicContact OD2-NE2 3.49Å; D490-R509 VanDerWaalsContact CG-NE 3.26Å; D490-R509 IonicContact OD1-CZ 3.93Å; D490-R509 VanDerWaalsContact OD1-CZ 3.3Å; D490-R509 IonicContact OD1-NE 2.63Å; D490-R509 PolarHBondContact OD1-NE 3.21Å; D490-R509 IonicContact OD1-NH2 3.09Å; D490-R509 PolarHBondContact OD1-NH2 3.43Å; D490-R509 WeakPolarHBondContact OD2-CD 3.25Å; D490-R509 WeakPolarHBondContact OD2-CG 3.12Å; D490-R509 IonicContact OD2-CZ 3.97Å; D490-R509 IonicContact OD2-NE 3.6Å; D490-R509 PolarHBondContact OD2-NE 2.87Å; D490-R509 IonicContact OD2-NH2 2.94Å
491	D	89.9	Confident	83.6	Confident	58 Å²	58	64.1 Å²	64.1	31%	0.31	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.6	142.3	-173.6	-161.4	-7.8	0	0	0	110.8	Y505 I506 H507	D491-Y505 HydrophobicContact CB-CD1 4.4Å; D491-Y505 HydrophobicContact CB-CE1 4.36Å; D491-I506 WeakPolarHBondContact O-CA 3.43Å; D491-H507 HydrophobicContact CB-CB 4.07Å; D491-H507 PolarHBondContact N-O 3.35Å; D491-H507 PolarHBondContact O-N 3.47Å
492	C	92.2	Very high	83.9	Confident	12 Å²	12	67.3 Å²	67.3	8%	0.081	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.8	78.5	179.3	-174.3	0	0	0	0	110	N49 I465 V489 Y505	N49-C492 PolarHBondContact O-SG 2.9Å; I465-C492 HydrophobicContact CD1-CB 4.09Å; I465-C492 WeakPolarHBondContact CD1-SG 3.4Å; V489-C492 HydrophobicContact CG1-CB 4.28Å; C492-Y505 VanDerWaalsContact CA-O 3.28Å; C492-Y505 WeakPolarHBondContact CA-O 3.37Å
493	D	89.5	Confident	84.5	Confident	89 Å²	89	71.4 Å²	71.4	48%	0.476	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	154.8	-174.9	-83.6	-39.1	0	0	0	113.2	I495 Y505	D493-I495 PolarHBondContact O-N 2.87Å; D493-Y505 PolarHBondContact N-O 3.2Å; D493-Y505 VanDerWaalsContact N-O 3.13Å; D493-Y505 PolarHBondContact O-N 2.95Å
494	K	87.4	Confident	85.1	Confident	107 Å²	107	68 Å²	68	47%	0.465	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	124.2	173.1	-70.3	178.9	-171.4	172.7	0	109.2	N49 T50 E53 R503 V504	N49-K494 WeakPolarHBondContact ND2-CE 3.39Å; N49-K494 WeakPolarHBondContact OD1-CE 3.35Å; T50-K494 HydrophobicContact CG2-CG 3.92Å; E53-K494 WeakPolarHBondContact OE2-CE 3.37Å; E53-K494 IonicContact OE2-NZ 2.9Å; E53-K494 PolarHBondContact OE2-NZ 2.89Å; K494-R503 CarbonylContact C-O 3.54Å; K494-R503 WeakPolarHBondContact CA-O 2.97Å; K494-V504 HydrophobicContact CG-CG2 4.37Å
495	I	86.6	Confident	85.6	Confident	58 Å²	58	69.2 Å²	69.2	30%	0.297	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	131.1	173.2	53.2	162.6	0	0	0	109.4	D493 R503	D493-I495 PolarHBondContact O-N 2.87Å; I495-R503 HydrophobicContact CD1-CB 4.23Å; I495-R503 HydrophobicContact CG1-CB 3.95Å; I495-R503 VanDerWaalsContact CG1-O 3.28Å; I495-R503 WeakPolarHBondContact CG1-O 3.22Å; I495-R503 PolarHBondContact N-O 3.26Å; I495-R503 PolarHBondContact O-N 3.46Å
496	K	80.4	Confident	86	Confident	173 Å²	173	68.8 Å²	68.8	75%	0.752	36%	0.363	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-91.7	121.9	171.2	-60	-161.9	169.5	-176.3	0	108.3	D502	K496-D502 WeakPolarHBondContact CG-OD1 3.16Å
497	L	74.6	Confident	86.3	Confident	61 Å²	61	65 Å²	65	32%	0.319	35%	0.346	S	S	.	.			trans	-86.3	152.7	172.1	-68.2	170.3	0	0	0	110.2	S499 G500 D501 R503	L497-S499 WeakPolarHBondContact CB-OG 3.2Å; L497-S499 PolarHBondContact O-N 3.49Å; L497-S499 VanDerWaalsContact O-N 3.08Å; L497-G500 PolarHBondContact O-N 3.34Å; L497-D501 PolarHBondContact N-O 2.92Å; L497-R503 HydrophobicContact CD1-CG 3.94Å; L497-R503 VanDerWaalsContact CD1-NE 3.29Å
498	D	77	Confident	86.5	Confident	180 Å²	180	64.3 Å²	64.3	96%	0.963	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.9	-25.6	173.6	-58.7	-31.3	0	0	0	112.2	G500	D498-G500 PolarHBondContact O-N 2.7Å
499	S	72.4	Confident	86.6	Confident	92 Å²	92	64.4 Å²	64.4	64%	0.643	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.1	-3.9	173.8	64.2	0	0	0	0	114.3	L497 D501	L497-S499 WeakPolarHBondContact CB-OG 3.2Å; L497-S499 PolarHBondContact O-N 3.49Å; L497-S499 VanDerWaalsContact O-N 3.08Å; S499-D501 VanDerWaalsContact C-N 3.29Å; S499-D501 PolarHBondContact O-N 2.87Å
500	G	72.5	Confident	86.7	Confident	65 Å²	65	63.1 Å²	63.1	67%	0.67	33%	0.331	S	S	*	.	S	Bend	trans	78.4	5.4	-176.3	0	0	0	0	0	115	L497 D498	L497-G500 PolarHBondContact O-N 3.34Å; D498-G500 PolarHBondContact O-N 2.7Å
501	D	76.1	Confident	86.7	Confident	49 Å²	49	63.1 Å²	63.1	26%	0.262	33%	0.327	S	S	.	.			trans	-89.8	117.3	179.7	-174.9	29.5	0	0	0	109.6	L497 S499 R503 N547	L497-D501 PolarHBondContact N-O 2.92Å; S499-D501 VanDerWaalsContact C-N 3.29Å; S499-D501 PolarHBondContact O-N 2.87Å; D501-R503 IonicContact OD2-CZ 2.58Å; D501-R503 IonicContact OD2-NE 3.51Å; D501-R503 PolarHBondContact OD2-NE 2.95Å; D501-R503 IonicContact OD2-NH2 2.73Å; D501-R503 PolarHBondContact OD2-NH2 3.48Å; D501-N547 PolarHBondContact OD1-ND2 3.33Å; D501-N547 PolarHBondContact OD2-ND2 2.93Å
502	D	79.9	Confident	86.7	Confident	87 Å²	87	60.4 Å²	60.4	47%	0.465	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	124.1	175.5	-77.8	-8.6	0	0	0	109.4	K496	K496-D502 WeakPolarHBondContact CG-OD1 3.16Å
503	R	88.8	Confident	86.4	Confident	85 Å²	85	65.6 Å²	65.6	32%	0.321	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	157.1	176.9	-54.9	-166.3	179.2	165.2	4.2	111.3	K494 I495 L497 D501 N547	K494-R503 CarbonylContact C-O 3.54Å; K494-R503 WeakPolarHBondContact CA-O 2.97Å; I495-R503 HydrophobicContact CD1-CB 4.23Å; I495-R503 HydrophobicContact CG1-CB 3.95Å; I495-R503 VanDerWaalsContact CG1-O 3.28Å; I495-R503 WeakPolarHBondContact CG1-O 3.22Å; I495-R503 PolarHBondContact N-O 3.26Å; I495-R503 PolarHBondContact O-N 3.46Å; L497-R503 HydrophobicContact CD1-CG 3.94Å; L497-R503 VanDerWaalsContact CD1-NE 3.29Å; D501-R503 IonicContact OD2-CZ 2.58Å; D501-R503 IonicContact OD2-NE 3.51Å; D501-R503 PolarHBondContact OD2-NE 2.95Å; D501-R503 IonicContact OD2-NH2 2.73Å; D501-R503 PolarHBondContact OD2-NH2 3.48Å; R503-N547 CarbonylContact C-O 3.57Å; R503-N547 VanDerWaalsContact CA-O 3.22Å; R503-N547 WeakPolarHBondContact CA-O 3.5Å; R503-N547 HydrophobicContact CB-CB 4.46Å; R503-N547 WeakPolarHBondContact CB-O 3.38Å; R503-N547 HydrophobicContact CG-CB 3.83Å
504	V	90.1	Very high	86.3	Confident	2 Å²	2	65.8 Å²	65.8	1%	0.012	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	119.8	170	-177.5	0	0	0	0	108.6	N49 K494 I506 C546 N547 T548 V549	N49-V504 HydrophobicContact CB-CG2 3.96Å; K494-V504 HydrophobicContact CG-CG2 4.37Å; V504-I506 HydrophobicContact CG1-CD1 4.1Å; V504-I506 HydrophobicContact CG1-CG1 3.83Å; V504-C546 WeakPolarHBondContact CG2-SG 3.28Å; V504-N547 PolarHBondContact N-O 3.23Å; V504-T548 HydrophobicContact CB-CG2 4.19Å; V504-T548 CarbonylContact O-C 3.5Å; V504-T548 VanDerWaalsContact O-CA 3.31Å; V504-T548 WeakPolarHBondContact O-CA 3.5Å; V504-V549 PolarHBondContact O-N 2.78Å
505	Y	92.9	Very high	86.4	Confident	56 Å²	56	67.1 Å²	67.1	22%	0.22	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	130.4	171.8	-179.4	-102.8	0	0	0	109.8	D491 C492 D493 H507 V549 K551	D491-Y505 HydrophobicContact CB-CD1 4.4Å; D491-Y505 HydrophobicContact CB-CE1 4.36Å; C492-Y505 VanDerWaalsContact CA-O 3.28Å; C492-Y505 WeakPolarHBondContact CA-O 3.37Å; D493-Y505 PolarHBondContact N-O 3.2Å; D493-Y505 VanDerWaalsContact N-O 3.13Å; D493-Y505 PolarHBondContact O-N 2.95Å; Y505-H507 HydrophobicContact CE1-CB 3.87Å; Y505-V549 HydrophobicContact CD2-CB 4.12Å; Y505-V549 HydrophobicContact CD2-CG1 3.92Å; Y505-V549 HydrophobicContact CE2-CG1 4.2Å; Y505-K551 HydrophobicContact CE2-CB 4.46Å; Y505-K551 WeakPolarHBondContact OH-CD 3.4Å
506	I	95	Very high	86.5	Confident	0 Å²	0	72.8 Å²	72.8	0%	0	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	120.5	-178.1	-56	175.4	0	0	0	108.7	I465 D491 V504 V508 L540 F544 V549 V550 K551	I465-I506 HydrophobicContact CD1-CD1 3.85Å; I465-I506 HydrophobicContact CD1-CG1 4.25Å; I465-I506 HydrophobicContact CD1-CG2 3.96Å; I465-I506 HydrophobicContact CG1-CD1 4.24Å; I465-I506 HydrophobicContact CG1-CG2 4.47Å; I465-I506 HydrophobicContact CG2-CG2 3.75Å; D491-I506 WeakPolarHBondContact O-CA 3.43Å; V504-I506 HydrophobicContact CG1-CD1 4.1Å; V504-I506 HydrophobicContact CG1-CG1 3.83Å; I506-V508 HydrophobicContact CG2-CG2 3.8Å; I506-L540 HydrophobicContact CD1-CD1 3.71Å; I506-F544 HydrophobicContact CD1-CD2 4.29Å; I506-F544 HydrophobicContact CD1-CE2 3.78Å; I506-V549 PolarHBondContact N-O 2.86Å; I506-V550 WeakPolarHBondContact O-CA 3.43Å; I506-K551 PolarHBondContact O-N 3.47Å
507	H	96.2	Very high	86.9	Confident	31 Å²	31	66.1 Å²	66.1	14%	0.144	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	121.3	171.9	-178.1	-153	0	0	0	110.1	D490 D491 Y505 K551 T553	D490-H507 PolarHBondContact N-O 2.91Å; D490-H507 IonicContact OD2-CE1 3.21Å; D490-H507 PolarHBondContact OD2-CE1 2.9Å; D490-H507 IonicContact OD2-ND1 2.82Å; D490-H507 IonicContact OD2-NE2 3.49Å; D491-H507 HydrophobicContact CB-CB 4.07Å; D491-H507 PolarHBondContact N-O 3.35Å; D491-H507 PolarHBondContact O-N 3.47Å; Y505-H507 HydrophobicContact CE1-CB 3.87Å; H507-K551 WeakPolarHBondContact CA-O 3.31Å; H507-K551 HydrophobicContact CB-CB 4.44Å; H507-K551 PolarHBondContact CD2-O 3.5Å; H507-T553 PolarHBondContact NE2-OG1 2.97Å
508	V	96.5	Very high	87.6	Confident	0 Å²	0	64.7 Å²	64.7	0%	0	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	135.6	178.2	-168.1	0	0	0	0	110.4	I465 V469 I487 I488 V489 I506 K551 L552 T553	I465-V508 HydrophobicContact CG2-CG2 3.67Å; V469-V508 HydrophobicContact CG2-CG1 4.25Å; V469-V508 HydrophobicContact CG2-CG2 4.26Å; I487-V508 HydrophobicContact CG2-CG1 3.51Å; I488-V508 CarbonylContact O-C 3.56Å; I488-V508 WeakPolarHBondContact O-CA 3.1Å; I488-V508 VanDerWaalsContact O-CG1 3.27Å; I488-V508 WeakPolarHBondContact O-CG1 3.24Å; V489-V508 HydrophobicContact CG2-CG1 4.47Å; V489-V508 HydrophobicContact CG2-CG2 4.35Å; I506-V508 HydrophobicContact CG2-CG2 3.8Å; V508-K551 PolarHBondContact N-O 2.77Å; V508-L552 HydrophobicContact CB-CD2 3.62Å; V508-L552 HydrophobicContact CG1-CD2 4.43Å; V508-L552 HydrophobicContact CG2-CD2 3.94Å; V508-T553 PolarHBondContact O-N 3.39Å; V508-T553 PolarHBondContact O-OG1 2.89Å; V508-T553 VanDerWaalsContact O-OG1 3.07Å
509	R	95.3	Very high	88.3	Confident	54 Å²	54	61.1 Å²	61.1	20%	0.204	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	128.4	169.7	-81.2	-175.6	-54.1	159.2	-14.4	111.4	I487 I488 D490 T553 E555	I487-R509 WeakPolarHBondContact CA-O 3.24Å; I488-R509 PolarHBondContact N-O 3.01Å; I488-R509 PolarHBondContact O-N 3.32Å; D490-R509 VanDerWaalsContact CG-NE 3.26Å; D490-R509 IonicContact OD1-CZ 3.93Å; D490-R509 VanDerWaalsContact OD1-CZ 3.3Å; D490-R509 IonicContact OD1-NE 2.63Å; D490-R509 PolarHBondContact OD1-NE 3.21Å; D490-R509 IonicContact OD1-NH2 3.09Å; D490-R509 PolarHBondContact OD1-NH2 3.43Å; D490-R509 WeakPolarHBondContact OD2-CD 3.25Å; D490-R509 WeakPolarHBondContact OD2-CG 3.12Å; D490-R509 IonicContact OD2-CZ 3.97Å; D490-R509 IonicContact OD2-NE 3.6Å; D490-R509 PolarHBondContact OD2-NE 2.87Å; D490-R509 IonicContact OD2-NH2 2.94Å; R509-T553 CarbonylContact C-O 3.58Å; R509-T553 WeakPolarHBondContact CA-O 3.26Å; R509-T553 WeakPolarHBondContact CG-OG1 3.34Å; R509-E555 WeakPolarHBondContact CD-OE1 3.35Å; R509-E555 IonicContact CZ-OE1 3.33Å; R509-E555 IonicContact NE-OE1 2.84Å; R509-E555 IonicContact NH1-OE1 2.91Å; R509-E555 PolarHBondContact NH1-OE1 2.91Å; R509-E555 IonicContact NH1-OE2 3.74Å
510	I	94.3	Very high	89.1	Confident	0 Å²	0	63.8 Å²	63.8	0%	0	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	103.2	170.3	-56.2	173.6	0	0	0	107.3	V469 L485 V521 T553 A554 E555	V469-I510 HydrophobicContact CG1-CD1 4.06Å; V469-I510 HydrophobicContact CG1-CG1 4.26Å; L485-I510 HydrophobicContact CB-CG2 4.26Å; L485-I510 HydrophobicContact CD1-CG2 3.93Å; L485-I510 HydrophobicContact CD2-CG2 4.02Å; L485-I510 HydrophobicContact CG-CG2 4.29Å; I510-V521 HydrophobicContact CD1-CG1 4.13Å; I510-V521 HydrophobicContact CG2-CG1 4.16Å; I510-V521 HydrophobicContact CG2-CG2 4.49Å; I510-T553 PolarHBondContact N-O 2.74Å; I510-A554 HydrophobicContact CB-CB 4.36Å; I510-A554 VanDerWaalsContact O-CA 3.29Å; I510-A554 WeakPolarHBondContact O-CA 3.28Å; I510-E555 PolarHBondContact O-N 3.38Å
511	R	92.7	Very high	89.9	Confident	67 Å²	67	60.7 Å²	60.7	25%	0.253	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85	125.9	175.3	-62.1	-170.4	172.4	160.1	6.4	110.5	H486 I488 E555	H486-R511 HydrophobicContact CB-CB 4.16Å; H486-R511 PolarHBondContact N-O 3Å; H486-R511 PolarHBondContact O-N 2.85Å; I488-R511 HydrophobicContact CD1-CG 4.26Å; R511-E555 WeakPolarHBondContact CA-O 3.28Å; R511-E555 HydrophobicContact CG-CG 3.87Å; R511-E555 WeakPolarHBondContact CG-OE1 3.45Å; R511-E555 IonicContact CZ-OE1 2.78Å; R511-E555 IonicContact NE-OE1 2.74Å; R511-E555 PolarHBondContact NE-OE1 2.84Å; R511-E555 IonicContact NH2-OE1 3.56Å
512	C	89.3	Confident	90.7	Very high	0 Å²	0	61.1 Å²	61.1	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103	141.5	-179.6	-59.2	0	0	0	0	110	Q517 L518 E555 F557	C512-Q517 HydrophobicContact CB-CB 4.06Å; C512-L518 HydrophobicContact CB-CB 4.01Å; C512-E555 PolarHBondContact N-O 3.18Å; C512-F557 WeakPolarHBondContact O-CB 3.22Å; C512-F557 PolarHBondContact O-N 3.03Å
513	K	86.3	Confident	91.1	Very high	122 Å²	122	57.8 Å²	57.8	53%	0.53	26%	0.256	S	S	.	.	S	Bend	trans	-63.8	-47.5	179.9	-174.3	176.2	178.9	169.4	0	111.5
514	N	88.4	Confident	91.1	Very high	93 Å²	93	61.9 Å²	61.9	50%	0.497	28%	0.281	S	S	.	.	S	Bend	trans	-132.9	162.2	-175.4	-66	-11.8	0	0	0	111.7	R516 Q517 L518	N514-R516 VanDerWaalsContact C-N 3.3Å; N514-R516 PolarHBondContact O-N 2.95Å; N514-Q517 WeakPolarHBondContact O-CB 3.19Å; N514-Q517 PolarHBondContact O-N 3.16Å; N514-L518 PolarHBondContact O-N 2.9Å; N514-L518 VanDerWaalsContact O-N 3.16Å
515	E	88.3	Confident	91	Very high	135 Å²	135	72.4 Å²	72.4	63%	0.631	33%	0.327	S	S	*	.	H	α-helix	trans	-59	-38	179.8	-172.6	174.5	-169.3	0	0	112.9	Q517 L518 L519	E515-Q517 PolarHBondContact O-N 2.99Å; E515-L518 WeakPolarHBondContact O-CB 3.29Å; E515-L518 PolarHBondContact O-N 3.36Å; E515-L518 VanDerWaalsContact O-N 3.1Å; E515-L519 HydrophobicContact CG-CD1 4.34Å; E515-L519 HydrophobicContact CG-CG 4.42Å; E515-L519 WeakPolarHBondContact O-CG 2.99Å; E515-L519 PolarHBondContact O-N 3.4Å
516	R	88.9	Confident	90.9	Very high	177 Å²	177	71 Å²	71	67%	0.668	33%	0.328	S	S	*	.	H	α-helix	trans	-55.3	-39.6	174.5	-176.2	-179.2	178.7	-158	-0.7	112.4	N514 R520	N514-R516 VanDerWaalsContact C-N 3.3Å; N514-R516 PolarHBondContact O-N 2.95Å; R516-R520 VanDerWaalsContact O-CG 3.29Å; R516-R520 WeakPolarHBondContact O-CG 3.44Å; R516-R520 PolarHBondContact O-N 3.07Å
517	Q	88.6	Confident	90.8	Very high	33 Å²	33	74.9 Å²	74.9	15%	0.154	35%	0.35	C	S	.	.	H	α-helix	trans	-72.7	-42.5	177.6	-65.7	179.8	-7.9	0	0	110.9	I481 S484 C512 N514 E515 L519 R520 V521	I481-Q517 HydrophobicContact CG2-CB 4.26Å; I481-Q517 HydrophobicContact CG2-CG 4.23Å; S484-Q517 VanDerWaalsContact OG-CD 3.3Å; S484-Q517 PolarHBondContact OG-NE2 3.32Å; S484-Q517 PolarHBondContact OG-OE1 3.24Å; C512-Q517 HydrophobicContact CB-CB 4.06Å; N514-Q517 WeakPolarHBondContact O-CB 3.19Å; N514-Q517 PolarHBondContact O-N 3.16Å; E515-Q517 PolarHBondContact O-N 2.99Å; Q517-L519 VanDerWaalsContact C-N 3.31Å; Q517-L519 PolarHBondContact O-N 3.44Å; Q517-R520 WeakPolarHBondContact O-CA 3.39Å; Q517-R520 WeakPolarHBondContact O-CB 3.36Å; Q517-R520 PolarHBondContact O-N 2.9Å; Q517-V521 WeakPolarHBondContact O-CG2 3.42Å; Q517-V521 PolarHBondContact O-N 2.76Å
518	L	90.4	Very high	90.5	Very high	30 Å²	30	75 Å²	75	16%	0.157	35%	0.353	C	S	.	.	H	α-helix	trans	-55.2	-47.6	176.1	178.8	61.1	0	0	0	111.2	C512 N514 E515 R520 V521 L522 A554 L556	C512-L518 HydrophobicContact CB-CB 4.01Å; N514-L518 PolarHBondContact O-N 2.9Å; N514-L518 VanDerWaalsContact O-N 3.16Å; E515-L518 WeakPolarHBondContact O-CB 3.29Å; E515-L518 PolarHBondContact O-N 3.36Å; E515-L518 VanDerWaalsContact O-N 3.1Å; L518-R520 VanDerWaalsContact C-N 3.26Å; L518-R520 PolarHBondContact O-N 2.91Å; L518-V521 PolarHBondContact O-N 2.69Å; L518-L522 HydrophobicContact CD1-CD1 4.05Å; L518-L522 HydrophobicContact CD1-CG 4.16Å; L518-L522 HydrophobicContact CG-CD1 3.97Å; L518-L522 HydrophobicContact CG-CG 4.47Å; L518-L522 WeakPolarHBondContact O-CB 3.48Å; L518-L522 VanDerWaalsContact O-CG 3.29Å; L518-L522 WeakPolarHBondContact O-CG 3.47Å; L518-L522 PolarHBondContact O-N 3.48Å; L518-A554 HydrophobicContact CD1-CB 3.6Å; L518-L556 HydrophobicContact CD2-CB 4.44Å
519	L	90.4	Very high	90.4	Very high	105 Å²	105	76 Å²	76	55%	0.55	36%	0.358	S	S	.	.	H	α-helix	trans	-60.9	-33.2	176.4	-68.8	173.6	0	0	0	112.8	E515 Q517 G523	E515-L519 HydrophobicContact CG-CD1 4.34Å; E515-L519 HydrophobicContact CG-CG 4.42Å; E515-L519 WeakPolarHBondContact O-CG 2.99Å; E515-L519 PolarHBondContact O-N 3.4Å; Q517-L519 VanDerWaalsContact C-N 3.31Å; Q517-L519 PolarHBondContact O-N 3.44Å; L519-G523 WeakPolarHBondContact O-CA 3.27Å; L519-G523 PolarHBondContact O-N 3.17Å
520	R	89.7	Confident	90.3	Very high	149 Å²	149	80.2 Å²	80.2	56%	0.562	38%	0.377	S	S	*	.	H	α-helix	trans	-74.8	-38.2	175.9	-68.8	-69.6	-177	178.1	-0.3	112.8	I481 R516 Q517 L518	I481-R520 HydrophobicContact CD1-CB 3.87Å; I481-R520 HydrophobicContact CD1-CG 3.92Å; R516-R520 VanDerWaalsContact O-CG 3.29Å; R516-R520 WeakPolarHBondContact O-CG 3.44Å; R516-R520 PolarHBondContact O-N 3.07Å; Q517-R520 WeakPolarHBondContact O-CA 3.39Å; Q517-R520 WeakPolarHBondContact O-CB 3.36Å; Q517-R520 PolarHBondContact O-N 2.9Å; L518-R520 VanDerWaalsContact C-N 3.26Å; L518-R520 PolarHBondContact O-N 2.91Å
521	V	90.2	Very high	90.3	Very high	0 Å²	0	83.6 Å²	83.6	0%	0	39%	0.393	C	S	.	.	H	α-helix	trans	-65.9	-45.8	175.3	172.8	0	0	0	0	110.4	L477 L485 I510 Q517 L518 I529 A554	L477-V521 HydrophobicContact CD1-CG2 3.86Å; L477-V521 HydrophobicContact CD2-CG2 4.39Å; L485-V521 HydrophobicContact CD1-CG2 4.24Å; L485-V521 HydrophobicContact CD2-CG2 4Å; I510-V521 HydrophobicContact CD1-CG1 4.13Å; I510-V521 HydrophobicContact CG2-CG1 4.16Å; I510-V521 HydrophobicContact CG2-CG2 4.49Å; Q517-V521 WeakPolarHBondContact O-CG2 3.42Å; Q517-V521 PolarHBondContact O-N 2.76Å; L518-V521 PolarHBondContact O-N 2.69Å; V521-I529 WeakPolarHBondContact O-CB 3.44Å; V521-I529 PolarHBondContact O-N 3.47Å; V521-I529 VanDerWaalsContact O-N 3.16Å; V521-A554 HydrophobicContact CG1-CB 3.76Å
522	L	91.7	Very high	90.4	Very high	57 Å²	57	80.4 Å²	80.4	30%	0.298	38%	0.381	S	S	.	.	H	α-helix	trans	-63.6	-46.5	175.5	-67.1	173.8	0	0	0	110.9	L518 G526 N527 T528 I529 A554	L518-L522 HydrophobicContact CD1-CD1 4.05Å; L518-L522 HydrophobicContact CD1-CG 4.16Å; L518-L522 HydrophobicContact CG-CD1 3.97Å; L518-L522 HydrophobicContact CG-CG 4.47Å; L518-L522 WeakPolarHBondContact O-CB 3.48Å; L518-L522 VanDerWaalsContact O-CG 3.29Å; L518-L522 WeakPolarHBondContact O-CG 3.47Å; L518-L522 PolarHBondContact O-N 3.48Å; L522-G526 CarbonylContact O-C 3.51Å; L522-G526 WeakPolarHBondContact O-CA 3.38Å; L522-N527 PolarHBondContact O-N 2.66Å; L522-T528 PolarHBondContact O-N 3.06Å; L522-T528 VanDerWaalsContact O-N 3.16Å; L522-I529 HydrophobicContact CD2-CD1 4.22Å; L522-I529 HydrophobicContact CD2-CG2 4.18Å; L522-I529 PolarHBondContact O-N 2.9Å; L522-A554 HydrophobicContact CD2-CB 4.06Å; L522-A554 HydrophobicContact CG-CB 4.5Å
523	G	89.6	Confident	90.6	Very high	17 Å²	17	81.6 Å²	81.6	18%	0.175	39%	0.389	C	S	.	.			trans	74	174.2	-172.3	0	0	0	0	0	112.6	L519 K525 G526 T528	L519-G523 WeakPolarHBondContact O-CA 3.27Å; L519-G523 PolarHBondContact O-N 3.17Å; G523-K525 PolarHBondContact O-N 2.8Å; G523-K525 VanDerWaalsContact O-N 3.16Å; G523-G526 PolarHBondContact O-N 3.42Å; G523-T528 WeakPolarHBondContact CA-OG1 3.39Å
524	M	89.1	Confident	91	Very high	172 Å²	172	79.3 Å²	79.3	85%	0.847	39%	0.389	S	S	*	.	G	3₁₀ helix	trans	-57.7	122.6	178	-67.7	-176.6	69.8	0	0	110.1	G526 N527	M524-G526 PolarHBondContact O-N 2.88Å; M524-G526 VanDerWaalsContact O-N 3.07Å; M524-N527 WeakPolarHBondContact O-CB 3.45Å; M524-N527 PolarHBondContact O-N 3.36Å
525	K	87.5	Confident	91.4	Very high	223 Å²	223	76.3 Å²	76.3	97%	0.97	38%	0.377	S	S	*	.	G	3₁₀ helix	trans	52.8	26.1	-177.4	-57.8	-178.5	175.7	-178.9	0	114.2	G523	G523-K525 PolarHBondContact O-N 2.8Å; G523-K525 VanDerWaalsContact O-N 3.16Å
526	G	90	Very high	91.8	Very high	25 Å²	25	69.9 Å²	69.9	26%	0.258	35%	0.347	S	S	.	.	G	3₁₀ helix	trans	79.7	10.6	-178.3	0	0	0	0	0	115	L522 G523 M524 T528 I529 K530	L522-G526 CarbonylContact O-C 3.51Å; L522-G526 WeakPolarHBondContact O-CA 3.38Å; G523-G526 PolarHBondContact O-N 3.42Å; M524-G526 PolarHBondContact O-N 2.88Å; M524-G526 VanDerWaalsContact O-N 3.07Å; G526-T528 PolarHBondContact O-N 3.06Å; G526-I529 VanDerWaalsContact O-CG2 3.24Å; G526-I529 WeakPolarHBondContact O-CG2 3.36Å; G526-K530 WeakPolarHBondContact O-CB 3.31Å; G526-K530 PolarHBondContact O-N 3.45Å; G526-K530 VanDerWaalsContact O-N 3.15Å
527	N	92.6	Very high	92.1	Very high	83 Å²	83	65.8 Å²	65.8	44%	0.444	33%	0.334	S	S	.	.	H	α-helix	trans	-64.5	-39.7	-174.5	-171.5	50.8	0	0	0	113	L522 M524 K530 E531	L522-N527 PolarHBondContact O-N 2.66Å; M524-N527 WeakPolarHBondContact O-CB 3.45Å; M524-N527 PolarHBondContact O-N 3.36Å; N527-K530 PolarHBondContact O-N 3.43Å; N527-E531 PolarHBondContact ND2-OE1 2.99Å; N527-E531 WeakPolarHBondContact O-CG 3.38Å; N527-E531 PolarHBondContact O-N 2.93Å
528	T	91.1	Very high	92.4	Very high	34 Å²	34	69.9 Å²	69.9	21%	0.209	36%	0.356	C	S	.	.	H	α-helix	trans	-67	-45.9	-177	-57.6	0	0	0	0	111.7	L477 L522 G523 G526 K530 E531 I532	L477-T528 HydrophobicContact CD2-CG2 3.96Å; L522-T528 PolarHBondContact O-N 3.06Å; L522-T528 VanDerWaalsContact O-N 3.16Å; G523-T528 WeakPolarHBondContact CA-OG1 3.39Å; G526-T528 PolarHBondContact O-N 3.06Å; T528-K530 VanDerWaalsContact C-N 3.28Å; T528-K530 PolarHBondContact O-N 3.49Å; T528-E531 PolarHBondContact O-N 3Å; T528-I532 HydrophobicContact CG2-CD1 4.11Å; T528-I532 WeakPolarHBondContact O-CG1 3.12Å; T528-I532 PolarHBondContact O-N 3.33Å
529	I	93.3	Very high	92.6	Very high	21 Å²	21	69.1 Å²	69.1	11%	0.108	35%	0.352	C	S	.	.	H	α-helix	trans	-65.7	-33.9	176.9	-168.9	168.8	0	0	0	111.6	V521 L522 G526 I532 S533 L552 A554	V521-I529 WeakPolarHBondContact O-CB 3.44Å; V521-I529 PolarHBondContact O-N 3.47Å; V521-I529 VanDerWaalsContact O-N 3.16Å; L522-I529 HydrophobicContact CD2-CD1 4.22Å; L522-I529 HydrophobicContact CD2-CG2 4.18Å; L522-I529 PolarHBondContact O-N 2.9Å; G526-I529 VanDerWaalsContact O-CG2 3.24Å; G526-I529 WeakPolarHBondContact O-CG2 3.36Å; I529-I532 PolarHBondContact O-N 3.09Å; I529-S533 VanDerWaalsContact O-CB 3.3Å; I529-S533 WeakPolarHBondContact O-CB 3.22Å; I529-S533 PolarHBondContact O-N 2.58Å; I529-L552 HydrophobicContact CD1-CB 4.32Å; I529-L552 HydrophobicContact CG1-CB 4.2Å; I529-A554 HydrophobicContact CD1-CB 3.89Å
530	K	93.9	Very high	92.8	Very high	141 Å²	141	64.1 Å²	64.1	61%	0.613	33%	0.326	S	S	*	.	H	α-helix	trans	-64	-46.3	175.3	-171.8	179.3	-179.6	-178.4	0	111.5	G526 N527 T528 I532 S533 S534	G526-K530 WeakPolarHBondContact O-CB 3.31Å; G526-K530 PolarHBondContact O-N 3.45Å; G526-K530 VanDerWaalsContact O-N 3.15Å; N527-K530 PolarHBondContact O-N 3.43Å; T528-K530 VanDerWaalsContact C-N 3.28Å; T528-K530 PolarHBondContact O-N 3.49Å; K530-I532 PolarHBondContact O-N 3.28Å; K530-S533 WeakPolarHBondContact O-CB 3.35Å; K530-S533 PolarHBondContact O-N 3.44Å; K530-S534 PolarHBondContact O-N 2.65Å; K530-S534 PolarHBondContact O-OG 3.37Å
531	E	94.4	Very high	92.9	Very high	72 Å²	72	59.8 Å²	59.8	34%	0.336	31%	0.313	S	S	.	.	H	α-helix	trans	-61.2	-42.9	175.5	-73.3	177.6	-156.4	0	0	112.4	K476 N527 T528 S533 S534 A535	K476-E531 IonicContact NZ-OE2 3.58Å; K476-E531 PolarHBondContact NZ-OE2 3.44Å; N527-E531 PolarHBondContact ND2-OE1 2.99Å; N527-E531 WeakPolarHBondContact O-CG 3.38Å; N527-E531 PolarHBondContact O-N 2.93Å; T528-E531 PolarHBondContact O-N 3Å; E531-S533 VanDerWaalsContact C-N 3.35Å; E531-S534 PolarHBondContact O-N 2.83Å; E531-A535 WeakPolarHBondContact O-CB 3.3Å; E531-A535 PolarHBondContact O-N 2.81Å
532	I	93.6	Very high	93	Very high	0 Å²	0	63.9 Å²	63.9	0%	0	34%	0.338	C	S	.	.	H	α-helix	trans	-60.5	-47.3	174.4	-66.9	167.4	0	0	0	109.5	H472 K476 L477 T528 I529 K530 S534 A535 V536 L552	H472-I532 HydrophobicContact CB-CG2 4.08Å; K476-I532 HydrophobicContact CB-CD1 4.07Å; K476-I532 HydrophobicContact CB-CG1 3.84Å; K476-I532 HydrophobicContact CG-CG1 3.83Å; L477-I532 HydrophobicContact CD2-CD1 4.41Å; T528-I532 HydrophobicContact CG2-CD1 4.11Å; T528-I532 WeakPolarHBondContact O-CG1 3.12Å; T528-I532 PolarHBondContact O-N 3.33Å; I529-I532 PolarHBondContact O-N 3.09Å; K530-I532 PolarHBondContact O-N 3.28Å; I532-S534 PolarHBondContact O-N 2.83Å; I532-A535 PolarHBondContact O-N 3.28Å; I532-V536 HydrophobicContact CG2-CG2 4.09Å; I532-V536 WeakPolarHBondContact O-CB 3.49Å; I532-V536 WeakPolarHBondContact O-CG2 3.35Å; I532-V536 PolarHBondContact O-N 3.4Å; I532-L552 HydrophobicContact CB-CD1 4.44Å; I532-L552 HydrophobicContact CG2-CD1 3.75Å
533	S	94.8	Very high	92.9	Very high	24 Å²	24	61.3 Å²	61.3	17%	0.168	32%	0.324	C	S	.	.	H	α-helix	trans	-61.3	-41.6	-179.7	-167.1	0	0	0	0	112.7	I529 K530 E531 K537 L552	I529-S533 VanDerWaalsContact O-CB 3.3Å; I529-S533 WeakPolarHBondContact O-CB 3.22Å; I529-S533 PolarHBondContact O-N 2.58Å; K530-S533 WeakPolarHBondContact O-CB 3.35Å; K530-S533 PolarHBondContact O-N 3.44Å; E531-S533 VanDerWaalsContact C-N 3.35Å; S533-K537 VanDerWaalsContact O-CB 3.3Å; S533-K537 WeakPolarHBondContact O-CB 3.17Å; S533-K537 PolarHBondContact O-N 3.32Å; S533-L552 VanDerWaalsContact CA-CD1 3.43Å
534	S	95.4	Very high	92.9	Very high	75 Å²	75	60.9 Å²	60.9	52%	0.524	32%	0.318	S	S	.	.	H	α-helix	trans	-65.8	-41.9	176.9	-65.4	0	0	0	0	112	K530 E531 I532 K537 L538	K530-S534 PolarHBondContact O-N 2.65Å; K530-S534 PolarHBondContact O-OG 3.37Å; E531-S534 PolarHBondContact O-N 2.83Å; I532-S534 PolarHBondContact O-N 2.83Å; S534-K537 PolarHBondContact O-N 2.86Å; S534-L538 PolarHBondContact O-N 3.26Å; S534-L538 VanDerWaalsContact O-N 3.17Å
535	A	96.1	Very high	92.9	Very high	30 Å²	30	60.1 Å²	60.1	25%	0.248	31%	0.305	C	S	.	.	H	α-helix	trans	-67.8	-45.8	178.6	0	0	0	0	0	111.9	H472 E531 I532 K537 L538 E539	H472-A535 VanDerWaalsContact CE1-CB 3.47Å; H472-A535 WeakPolarHBondContact CE1-CB 3.38Å; H472-A535 WeakPolarHBondContact ND1-CB 3.21Å; E531-A535 WeakPolarHBondContact O-CB 3.3Å; E531-A535 PolarHBondContact O-N 2.81Å; I532-A535 PolarHBondContact O-N 3.28Å; A535-K537 VanDerWaalsContact C-N 3.34Å; A535-K537 PolarHBondContact O-N 2.88Å; A535-L538 PolarHBondContact O-N 3.01Å; A535-E539 PolarHBondContact O-N 2.94Å
536	V	95.9	Very high	92.9	Very high	0 Å²	0	51 Å²	51	0%	0	27%	0.269	C	S	.	.	H	α-helix	trans	-58.2	-45.7	174.6	168.5	0	0	0	0	110.8	V469 H472 I532 L538 E539 L540 V550 L552	V469-V536 HydrophobicContact CB-CG2 4.38Å; V469-V536 HydrophobicContact CG2-CG1 3.81Å; V469-V536 HydrophobicContact CG2-CG2 3.93Å; H472-V536 HydrophobicContact CB-CG2 4.03Å; H472-V536 VanDerWaalsContact CD2-CG2 3.46Å; H472-V536 WeakPolarHBondContact CD2-CG2 3.35Å; I532-V536 HydrophobicContact CG2-CG2 4.09Å; I532-V536 WeakPolarHBondContact O-CB 3.49Å; I532-V536 WeakPolarHBondContact O-CG2 3.35Å; I532-V536 PolarHBondContact O-N 3.4Å; V536-L538 PolarHBondContact O-N 2.92Å; V536-E539 PolarHBondContact O-N 2.61Å; V536-L540 HydrophobicContact CG1-CD1 3.55Å; V536-L540 HydrophobicContact CG1-CG 4.07Å; V536-L540 WeakPolarHBondContact O-CB 3.47Å; V536-L540 VanDerWaalsContact O-CG 3.29Å; V536-L540 WeakPolarHBondContact O-CG 3.23Å; V536-L540 PolarHBondContact O-N 3.35Å; V536-V550 HydrophobicContact CG1-CG1 4.08Å; V536-L552 HydrophobicContact CG2-CD1 4.43Å
537	K	95.6	Very high	92.9	Very high	90 Å²	90	53.1 Å²	53.1	39%	0.391	27%	0.274	S	S	.	.	H	α-helix	trans	-56.2	-51.1	177.6	178.8	-179	172.6	177.8	0	111.3	S533 S534 A535 E539 L540 M541 T548 V550	S533-K537 VanDerWaalsContact O-CB 3.3Å; S533-K537 WeakPolarHBondContact O-CB 3.17Å; S533-K537 PolarHBondContact O-N 3.32Å; S534-K537 PolarHBondContact O-N 2.86Å; A535-K537 VanDerWaalsContact C-N 3.34Å; A535-K537 PolarHBondContact O-N 2.88Å; K537-E539 VanDerWaalsContact C-N 3.3Å; K537-E539 PolarHBondContact O-N 2.95Å; K537-L540 PolarHBondContact O-N 3.46Å; K537-M541 HydrophobicContact CD-SD 4.5Å; K537-M541 HydrophobicContact CG-CG 4.34Å; K537-M541 HydrophobicContact CG-SD 4.02Å; K537-M541 WeakPolarHBondContact O-CB 3.07Å; K537-M541 VanDerWaalsContact O-CG 3.25Å; K537-M541 WeakPolarHBondContact O-CG 3.4Å; K537-M541 PolarHBondContact O-N 2.85Å; K537-T548 VanDerWaalsContact CE-O 3.24Å; K537-T548 WeakPolarHBondContact CE-O 3.19Å; K537-V550 HydrophobicContact CB-CB 4.31Å; K537-V550 HydrophobicContact CB-CG2 3.98Å; K537-V550 HydrophobicContact CG-CG2 4.31Å
538	L	95.3	Very high	92.8	Very high	119 Å²	119	49.3 Å²	49.3	62%	0.623	26%	0.255	S	S	*	.	H	α-helix	trans	-60.5	-41.2	-179.1	-176.4	66.1	0	0	0	112	S534 A535 V536 T542	S534-L538 PolarHBondContact O-N 3.26Å; S534-L538 VanDerWaalsContact O-N 3.17Å; A535-L538 PolarHBondContact O-N 3.01Å; V536-L538 PolarHBondContact O-N 2.92Å; L538-T542 PolarHBondContact O-N 3.42Å; L538-T542 VanDerWaalsContact O-N 3.16Å; L538-T542 PolarHBondContact O-OG1 3.15Å
539	E	94.7	Very high	92.8	Very high	14 Å²	14	50.1 Å²	50.1	7%	0.065	26%	0.259	C	S	.	.	H	α-helix	trans	-66.3	-46.2	177.8	-178.4	152	165	0	0	112.2	K95 H472 A535 V536 K537 T542 M543	K95-E539 HydrophobicContact CD-CG 4.01Å; K95-E539 WeakPolarHBondContact CE-OE1 3.37Å; K95-E539 VanDerWaalsContact CE-OE2 3.31Å; K95-E539 WeakPolarHBondContact CE-OE2 3.34Å; K95-E539 IonicContact NZ-OE1 3.42Å; K95-E539 PolarHBondContact NZ-OE1 2.99Å; K95-E539 IonicContact NZ-OE2 3.94Å; K95-E539 PolarHBondContact NZ-OE2 3.23Å; H472-E539 IonicContact CE1-OE2 3.42Å; H472-E539 IonicContact NE2-OE2 3.11Å; H472-E539 PolarHBondContact NE2-OE2 2.94Å; H472-E539 VanDerWaalsContact NE2-OE2 3.09Å; A535-E539 PolarHBondContact O-N 2.94Å; V536-E539 PolarHBondContact O-N 2.61Å; K537-E539 VanDerWaalsContact C-N 3.3Å; K537-E539 PolarHBondContact O-N 2.95Å; E539-T542 WeakPolarHBondContact O-CB 3.44Å; E539-T542 PolarHBondContact O-N 3.36Å; E539-T542 VanDerWaalsContact O-N 3.17Å; E539-M543 WeakPolarHBondContact O-CB 3.45Å; E539-M543 PolarHBondContact O-N 3.22Å
540	L	93.6	Very high	92.9	Very high	0 Å²	0	50 Å²	50	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-67.8	-36	178.4	-66.8	178.5	0	0	0	112.6	I465 C468 I506 V536 K537 T542 M543 F544 V550	I465-L540 HydrophobicContact CG1-CD1 4.23Å; I465-L540 HydrophobicContact CG1-CD2 3.95Å; I465-L540 HydrophobicContact CG2-CD1 4.32Å; C468-L540 HydrophobicContact CB-CD2 3.97Å; I506-L540 HydrophobicContact CD1-CD1 3.71Å; V536-L540 HydrophobicContact CG1-CD1 3.55Å; V536-L540 HydrophobicContact CG1-CG 4.07Å; V536-L540 WeakPolarHBondContact O-CB 3.47Å; V536-L540 VanDerWaalsContact O-CG 3.29Å; V536-L540 WeakPolarHBondContact O-CG 3.23Å; V536-L540 PolarHBondContact O-N 3.35Å; K537-L540 PolarHBondContact O-N 3.46Å; L540-T542 VanDerWaalsContact C-N 3.26Å; L540-T542 PolarHBondContact O-N 3.44Å; L540-M543 HydrophobicContact CD2-CE 3.36Å; L540-M543 HydrophobicContact CD2-SD 4.45Å; L540-M543 PolarHBondContact O-N 2.88Å; L540-F544 HydrophobicContact CB-CD2 4.35Å; L540-F544 HydrophobicContact CB-CE2 4.49Å; L540-F544 HydrophobicContact CD2-CE2 4.09Å; L540-F544 WeakPolarHBondContact O-CB 3.31Å; L540-F544 PolarHBondContact O-N 2.89Å; L540-V550 HydrophobicContact CD1-CG2 4.05Å
541	M	92.4	Very high	93	Very high	58 Å²	58	48 Å²	48	29%	0.286	25%	0.251	S	S	.	.	H	α-helix	trans	-59.2	-40.3	171.1	-73.5	-179.3	66.3	0	0	111.3	K537 R545 C546 T548	K537-M541 HydrophobicContact CD-SD 4.5Å; K537-M541 HydrophobicContact CG-CG 4.34Å; K537-M541 HydrophobicContact CG-SD 4.02Å; K537-M541 WeakPolarHBondContact O-CB 3.07Å; K537-M541 VanDerWaalsContact O-CG 3.25Å; K537-M541 WeakPolarHBondContact O-CG 3.4Å; K537-M541 PolarHBondContact O-N 2.85Å; M541-R545 WeakPolarHBondContact O-CA 2.86Å; M541-R545 PolarHBondContact O-N 3.44Å; M541-C546 PolarHBondContact O-N 3.13Å; M541-T548 HydrophobicContact CG-CG2 4.2Å; M541-T548 WeakPolarHBondContact CG-OG1 3.22Å
542	T	91.3	Very high	93.1	Very high	86 Å²	86	45.5 Å²	45.5	53%	0.528	24%	0.24	S	C	.	.	H	α-helix	trans	-70.2	-44.1	177.4	-54.5	0	0	0	0	111.5	L538 E539 L540	L538-T542 PolarHBondContact O-N 3.42Å; L538-T542 VanDerWaalsContact O-N 3.16Å; L538-T542 PolarHBondContact O-OG1 3.15Å; E539-T542 WeakPolarHBondContact O-CB 3.44Å; E539-T542 PolarHBondContact O-N 3.36Å; E539-T542 VanDerWaalsContact O-N 3.17Å; L540-T542 VanDerWaalsContact C-N 3.26Å; L540-T542 PolarHBondContact O-N 3.44Å
543	M	91.2	Very high	93.1	Very high	4 Å²	4	47.5 Å²	47.5	2%	0.02	25%	0.252	C	S	.	.	H	α-helix	trans	-66.3	-47.5	-177.7	-173.4	177.4	78.1	0	0	112.2	V47 K95 L464 E539 L540	V47-M543 HydrophobicContact CG1-CG 4.35Å; V47-M543 HydrophobicContact CG2-CG 4.24Å; K95-M543 WeakPolarHBondContact O-CG 3.41Å; L464-M543 HydrophobicContact CB-CE 3.64Å; L464-M543 HydrophobicContact CB-SD 4Å; L464-M543 HydrophobicContact CD1-CE 4.31Å; L464-M543 HydrophobicContact CD1-SD 4.38Å; E539-M543 WeakPolarHBondContact O-CB 3.45Å; E539-M543 PolarHBondContact O-N 3.22Å; L540-M543 HydrophobicContact CD2-CE 3.36Å; L540-M543 HydrophobicContact CD2-SD 4.45Å; L540-M543 PolarHBondContact O-N 2.88Å
544	F	89.4	Confident	93	Very high	7 Å²	7	47.4 Å²	47.4	3%	0.031	25%	0.253	C	S	.	.	H	α-helix	trans	-87	-7.2	179.6	-63.5	-43.3	0	0	0	114	V47 P48 N49 P461 I465 I506 L540 C546 T548	V47-F544 HydrophobicContact CB-CD1 4.13Å; V47-F544 HydrophobicContact CB-CE1 4.49Å; V47-F544 HydrophobicContact CG1-CD1 3.93Å; V47-F544 HydrophobicContact CG1-CE1 3.79Å; P48-F544 VanDerWaalsContact O-CE1 3.28Å; P48-F544 WeakPolarHBondContact O-CE1 3.44Å; N49-F544 HydrophobicContact CB-CB 4.16Å; N49-F544 HydrophobicContact CB-CD1 3.75Å; N49-F544 HydrophobicContact CB-CD2 4.33Å; N49-F544 HydrophobicContact CB-CE1 4.17Å; N49-F544 HydrophobicContact CB-CG 3.85Å; P461-F544 HydrophobicContact CB-CE1 4.38Å; P461-F544 HydrophobicContact CB-CZ 4.27Å; I465-F544 HydrophobicContact CD1-CE2 4.02Å; I465-F544 HydrophobicContact CD1-CZ 3.97Å; I465-F544 HydrophobicContact CG1-CE2 3.95Å; I465-F544 HydrophobicContact CG1-CZ 3.88Å; I506-F544 HydrophobicContact CD1-CD2 4.29Å; I506-F544 HydrophobicContact CD1-CE2 3.78Å; L540-F544 HydrophobicContact CB-CD2 4.35Å; L540-F544 HydrophobicContact CB-CE2 4.49Å; L540-F544 HydrophobicContact CD2-CE2 4.09Å; L540-F544 WeakPolarHBondContact O-CB 3.31Å; L540-F544 PolarHBondContact O-N 2.89Å; F544-C546 VanDerWaalsContact CB-SG 3.59Å; F544-C546 PolarHBondContact O-N 3.41Å; F544-T548 HydrophobicContact CD2-CG2 4.3Å
545	R	88.1	Confident	92.9	Very high	157 Å²	157	46.9 Å²	46.9	59%	0.592	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	50.4	36.8	-177.2	-61.2	-172.1	176.9	179.3	2.1	113.6	M541	M541-R545 WeakPolarHBondContact O-CA 2.86Å; M541-R545 PolarHBondContact O-N 3.44Å
546	C	87.2	Confident	92.6	Very high	31 Å²	31	48.7 Å²	48.7	21%	0.209	25%	0.247	C	C	.	.	S	Bend	trans	-142.8	166.3	179.6	67	0	0	0	0	111.2	V504 M541 F544 T548	V504-C546 WeakPolarHBondContact CG2-SG 3.28Å; M541-C546 PolarHBondContact O-N 3.13Å; F544-C546 VanDerWaalsContact CB-SG 3.59Å; F544-C546 PolarHBondContact O-N 3.41Å; C546-T548 PolarHBondContact O-N 3.05Å
547	N	90	Very high	91.8	Very high	69 Å²	69	53 Å²	53	37%	0.369	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.3	123.7	172	-75.7	-31.1	0	0	0	109.6	D501 R503 V504	D501-N547 PolarHBondContact OD1-ND2 3.33Å; D501-N547 PolarHBondContact OD2-ND2 2.93Å; R503-N547 CarbonylContact C-O 3.57Å; R503-N547 VanDerWaalsContact CA-O 3.22Å; R503-N547 WeakPolarHBondContact CA-O 3.5Å; R503-N547 HydrophobicContact CB-CB 4.46Å; R503-N547 WeakPolarHBondContact CB-O 3.38Å; R503-N547 HydrophobicContact CG-CB 3.83Å; V504-N547 PolarHBondContact N-O 3.23Å
548	T	91.5	Very high	90.6	Very high	4 Å²	4	57.5 Å²	57.5	3%	0.025	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	141.9	-178.9	68.8	0	0	0	0	111.9	V504 K537 M541 F544 C546	V504-T548 HydrophobicContact CB-CG2 4.19Å; V504-T548 CarbonylContact O-C 3.5Å; V504-T548 VanDerWaalsContact O-CA 3.31Å; V504-T548 WeakPolarHBondContact O-CA 3.5Å; K537-T548 VanDerWaalsContact CE-O 3.24Å; K537-T548 WeakPolarHBondContact CE-O 3.19Å; M541-T548 HydrophobicContact CG-CG2 4.2Å; M541-T548 WeakPolarHBondContact CG-OG1 3.22Å; F544-T548 HydrophobicContact CD2-CG2 4.3Å; C546-T548 PolarHBondContact O-N 3.05Å
549	V	91.8	Very high	89	Confident	51 Å²	51	55.6 Å²	55.6	31%	0.309	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	115.1	172.2	179	0	0	0	0	107.1	V504 Y505 I506	V504-V549 PolarHBondContact O-N 2.78Å; Y505-V549 HydrophobicContact CD2-CB 4.12Å; Y505-V549 HydrophobicContact CD2-CG1 3.92Å; Y505-V549 HydrophobicContact CE2-CG1 4.2Å; I506-V549 PolarHBondContact N-O 2.86Å
550	V	94.7	Very high	87.3	Confident	19 Å²	19	59.1 Å²	59.1	12%	0.115	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	121.4	-178.6	-178.4	0	0	0	0	109.5	I506 V536 K537 L540 L552	I506-V550 WeakPolarHBondContact O-CA 3.43Å; V536-V550 HydrophobicContact CG1-CG1 4.08Å; K537-V550 HydrophobicContact CB-CB 4.31Å; K537-V550 HydrophobicContact CB-CG2 3.98Å; K537-V550 HydrophobicContact CG-CG2 4.31Å; L540-V550 HydrophobicContact CD1-CG2 4.05Å; V550-L552 HydrophobicContact CG1-CD2 3.78Å; V550-L552 HydrophobicContact CG1-CG 3.93Å
551	K	95.5	Very high	85.9	Confident	97 Å²	97	62.5 Å²	62.5	42%	0.422	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105	110.8	167.5	-178.4	-178.8	176.6	-173.4	0	108.4	Y505 I506 H507 V508 T553	Y505-K551 HydrophobicContact CE2-CB 4.46Å; Y505-K551 WeakPolarHBondContact OH-CD 3.4Å; I506-K551 PolarHBondContact O-N 3.47Å; H507-K551 WeakPolarHBondContact CA-O 3.31Å; H507-K551 HydrophobicContact CB-CB 4.44Å; H507-K551 PolarHBondContact CD2-O 3.5Å; V508-K551 PolarHBondContact N-O 2.77Å; K551-T553 HydrophobicContact CG-CG2 4.27Å
552	L	96.7	Very high	84.3	Confident	21 Å²	21	64.6 Å²	64.6	11%	0.11	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	131.8	169.3	-62.8	-168.8	0	0	0	110.1	V469 V508 I529 I532 S533 V536 V550	V469-L552 HydrophobicContact CG2-CD2 4.09Å; V508-L552 HydrophobicContact CB-CD2 3.62Å; V508-L552 HydrophobicContact CG1-CD2 4.43Å; V508-L552 HydrophobicContact CG2-CD2 3.94Å; I529-L552 HydrophobicContact CD1-CB 4.32Å; I529-L552 HydrophobicContact CG1-CB 4.2Å; I532-L552 HydrophobicContact CB-CD1 4.44Å; I532-L552 HydrophobicContact CG2-CD1 3.75Å; S533-L552 VanDerWaalsContact CA-CD1 3.43Å; V536-L552 HydrophobicContact CG2-CD1 4.43Å; V550-L552 HydrophobicContact CG1-CD2 3.78Å; V550-L552 HydrophobicContact CG1-CG 3.93Å
553	T	94.4	Very high	82.7	Confident	42 Å²	42	65 Å²	65	26%	0.258	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	143.7	175.3	47.6	0	0	0	0	109.2	H507 V508 R509 I510 K551	H507-T553 PolarHBondContact NE2-OG1 2.97Å; V508-T553 PolarHBondContact O-N 3.39Å; V508-T553 PolarHBondContact O-OG1 2.89Å; V508-T553 VanDerWaalsContact O-OG1 3.07Å; R509-T553 CarbonylContact C-O 3.58Å; R509-T553 WeakPolarHBondContact CA-O 3.26Å; R509-T553 WeakPolarHBondContact CG-OG1 3.34Å; I510-T553 PolarHBondContact N-O 2.74Å; K551-T553 HydrophobicContact CG-CG2 4.27Å
554	A	93.1	Very high	81	Confident	22 Å²	22	69.6 Å²	69.6	18%	0.182	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	135.1	174.5	0	0	0	0	0	109.5	I510 L518 V521 L522 I529	I510-A554 HydrophobicContact CB-CB 4.36Å; I510-A554 VanDerWaalsContact O-CA 3.29Å; I510-A554 WeakPolarHBondContact O-CA 3.28Å; L518-A554 HydrophobicContact CD1-CB 3.6Å; V521-A554 HydrophobicContact CG1-CB 3.76Å; L522-A554 HydrophobicContact CD2-CB 4.06Å; L522-A554 HydrophobicContact CG-CB 4.5Å; I529-A554 HydrophobicContact CD1-CB 3.89Å
555	E	91.9	Very high	79.7	Confident	64 Å²	64	75.3 Å²	75.3	30%	0.299	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	157.3	-177.7	67.3	-179	-174.6	0	0	111.5	R509 I510 R511 C512	R509-E555 WeakPolarHBondContact CD-OE1 3.35Å; R509-E555 IonicContact CZ-OE1 3.33Å; R509-E555 IonicContact NE-OE1 2.84Å; R509-E555 IonicContact NH1-OE1 2.91Å; R509-E555 PolarHBondContact NH1-OE1 2.91Å; R509-E555 IonicContact NH1-OE2 3.74Å; I510-E555 PolarHBondContact O-N 3.38Å; R511-E555 WeakPolarHBondContact CA-O 3.28Å; R511-E555 HydrophobicContact CG-CG 3.87Å; R511-E555 WeakPolarHBondContact CG-OE1 3.45Å; R511-E555 IonicContact CZ-OE1 2.78Å; R511-E555 IonicContact NE-OE1 2.74Å; R511-E555 PolarHBondContact NE-OE1 2.84Å; R511-E555 IonicContact NH2-OE1 3.56Å; C512-E555 PolarHBondContact N-O 3.18Å
556	L	89.7	Confident	78.3	Confident	68 Å²	68	74.6 Å²	74.6	36%	0.356	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	139.1	171	-171.3	68.7	0	0	0	109.7	L518 K558	L518-L556 HydrophobicContact CD2-CB 4.44Å; L556-K558 PolarHBondContact O-N 3.05Å
557	F	79.8	Confident	76.7	Confident	91 Å²	91	77.7 Å²	77.7	40%	0.399	39%	0.388	S	S	.	.			trans	-63.4	98.5	171.1	-171.2	-99.5	0	0	0	110.2	C512 I559	C512-F557 WeakPolarHBondContact O-CB 3.22Å; C512-F557 PolarHBondContact O-N 3.03Å; F557-I559 HydrophobicContact CD1-CG1 3.84Å; F557-I559 HydrophobicContact CE1-CD1 4.24Å; F557-I559 HydrophobicContact CE1-CG1 3.47Å; F557-I559 VanDerWaalsContact CE1-CG1 3.47Å
558	K	70.4	Confident	75.1	Confident	184 Å²	184	81.9 Å²	81.9	80%	0.8	40%	0.399	S	S	*	.			trans	-87.6	108.5	173.2	-69.7	-177.8	-179.1	178.2	0	108.8	L556 D560	L556-K558 PolarHBondContact O-N 3.05Å; K558-D560 PolarHBondContact O-N 3.05Å
559	I	62.5	Low	73.5	Confident	79 Å²	79	90 Å²	90	41%	0.405	43%	0.429	S	S	.	.			trans	-69.6	127.6	164.3	-59.9	167.4	0	0	0	107	F557 S561 K564	F557-I559 HydrophobicContact CD1-CG1 3.84Å; F557-I559 HydrophobicContact CE1-CD1 4.24Å; F557-I559 HydrophobicContact CE1-CG1 3.47Å; F557-I559 VanDerWaalsContact CE1-CG1 3.47Å; I559-S561 PolarHBondContact O-N 3.33Å; I559-S561 VanDerWaalsContact O-N 3.17Å; I559-K564 HydrophobicContact CG2-CB 4.04Å; I559-K564 HydrophobicContact CG2-CD 4.41Å; I559-K564 HydrophobicContact CG2-CG 4.19Å
560	D	59.3	Low	71.6	Confident	87 Å²	87	91.5 Å²	91.5	47%	0.465	44%	0.438	S	S	.	.			trans	-56.8	122.1	171.4	-173.3	-9.6	0	0	0	109.4	K558 N562 I563 K564	K558-D560 PolarHBondContact O-N 3.05Å; D560-N562 PolarHBondContact O-N 3.38Å; D560-N562 PolarHBondContact OD1-N 3.38Å; D560-I563 HydrophobicContact CB-CB 4.45Å; D560-I563 HydrophobicContact CB-CD1 4.04Å; D560-I563 HydrophobicContact CB-CG1 4.11Å; D560-I563 PolarHBondContact O-N 3.41Å; D560-K564 PolarHBondContact O-N 3.47Å
561	S	62.3	Low	69.4	Low	72 Å²	72	95.9 Å²	95.9	50%	0.503	46%	0.458	S	S	.	.	H	α-helix	trans	-53.9	-30.7	-177	67.7	0	0	0	0	112.7	I559 K564 K565	I559-S561 PolarHBondContact O-N 3.33Å; I559-S561 VanDerWaalsContact O-N 3.17Å; S561-K564 PolarHBondContact O-N 3.2Å; S561-K565 WeakPolarHBondContact O-CG 3.35Å; S561-K565 PolarHBondContact O-N 3.43Å
562	N	59.8	Low	67.2	Low	101 Å²	101	96.8 Å²	96.8	54%	0.54	47%	0.467	S	S	.	.	H	α-helix	trans	-70.4	-38.3	177.3	-76.9	-26.9	0	0	0	112.7	D560 K564 K565 K566	D560-N562 PolarHBondContact O-N 3.38Å; D560-N562 PolarHBondContact OD1-N 3.38Å; N562-K564 VanDerWaalsContact C-N 3.35Å; N562-K565 PolarHBondContact O-N 3.4Å; N562-K566 PolarHBondContact O-N 3.47Å
563	I	57.2	Low	64.4	Low	94 Å²	94	102.7 Å²	102.7	48%	0.482	49%	0.492	S	S	.	.	H	α-helix	trans	-68.5	-40	174.1	-61.3	176.3	0	0	0	109.4	D560 K565 K566 L567	D560-I563 HydrophobicContact CB-CB 4.45Å; D560-I563 HydrophobicContact CB-CD1 4.04Å; D560-I563 HydrophobicContact CB-CG1 4.11Å; D560-I563 PolarHBondContact O-N 3.41Å; I563-K565 PolarHBondContact O-N 3.26Å; I563-K566 PolarHBondContact O-N 3.19Å; I563-L567 HydrophobicContact CG2-CD1 3.89Å; I563-L567 HydrophobicContact CG2-CG 4.45Å; I563-L567 WeakPolarHBondContact O-CB 3.42Å; I563-L567 PolarHBondContact O-N 3.03Å
564	K	56.4	Low	61.6	Low	101 Å²	101	103.4 Å²	103.4	44%	0.439	50%	0.499	S	S	.	.	H	α-helix	trans	-62.7	-40.9	176	-141.7	176.3	-171.8	179.1	0	112	I559 D560 S561 N562 L567 R568	I559-K564 HydrophobicContact CG2-CB 4.04Å; I559-K564 HydrophobicContact CG2-CD 4.41Å; I559-K564 HydrophobicContact CG2-CG 4.19Å; D560-K564 PolarHBondContact O-N 3.47Å; S561-K564 PolarHBondContact O-N 3.2Å; N562-K564 VanDerWaalsContact C-N 3.35Å; K564-L567 PolarHBondContact O-N 2.94Å; K564-R568 WeakPolarHBondContact O-CB 3.2Å; K564-R568 VanDerWaalsContact O-CG 3.32Å; K564-R568 WeakPolarHBondContact O-CG 3.41Å; K564-R568 PolarHBondContact O-N 3.44Å
565	K	62	Low	58.8	Low	128 Å²	128	110.8 Å²	110.8	56%	0.557	53%	0.53	S	S	*	.	H	α-helix	trans	-64	-42.5	172.4	-77.6	177.3	-179.9	176.5	0	111.9	S561 N562 I563 R569	S561-K565 WeakPolarHBondContact O-CG 3.35Å; S561-K565 PolarHBondContact O-N 3.43Å; N562-K565 PolarHBondContact O-N 3.4Å; I563-K565 PolarHBondContact O-N 3.26Å; K565-R569 VanDerWaalsContact O-CG 3.31Å; K565-R569 WeakPolarHBondContact O-CG 3.38Å; K565-R569 PolarHBondContact O-N 3.42Å
566	K	57.6	Low	56.2	Low	141 Å²	141	112.4 Å²	112.4	61%	0.613	54%	0.543	S	S	*	.	H	α-helix	trans	-63.1	-45.9	174.6	-86.8	-174.8	174.9	-178.9	0	111.9	N562 I563 R569 T570	N562-K566 PolarHBondContact O-N 3.47Å; I563-K566 PolarHBondContact O-N 3.19Å; K566-R569 WeakPolarHBondContact O-CB 3.45Å; K566-R569 PolarHBondContact O-N 3.39Å; K566-T570 PolarHBondContact O-N 3.16Å; K566-T570 PolarHBondContact O-OG1 3.33Å
567	L	54.3	Low	53.2	Low	96 Å²	96	116.1 Å²	116.1	50%	0.503	56%	0.557	S	S	.	*	H	α-helix	trans	-60	-45.4	177.7	-87	162.2	0	0	0	111.7	I563 K564 T570 Q571	I563-L567 HydrophobicContact CG2-CD1 3.89Å; I563-L567 HydrophobicContact CG2-CG 4.45Å; I563-L567 WeakPolarHBondContact O-CB 3.42Å; I563-L567 PolarHBondContact O-N 3.03Å; K564-L567 PolarHBondContact O-N 2.94Å; L567-T570 VanDerWaalsContact CA-OG1 3.27Å; L567-T570 WeakPolarHBondContact CA-OG1 3.28Å; L567-T570 CarbonylContact O-C 3.56Å; L567-T570 PolarHBondContact O-N 3.16Å; L567-T570 PolarHBondContact O-OG1 3.46Å; L567-Q571 PolarHBondContact O-N 2.85Å
568	R	57.3	Low	50.7	Low	158 Å²	158	117.9 Å²	117.9	60%	0.596	58%	0.578	S	S	*	*	H	α-helix	trans	-59.8	-46.8	174.1	-74.9	179.1	-179.6	-153.5	-2.9	111.8	K564 T570 Q571 D572	K564-R568 WeakPolarHBondContact O-CB 3.2Å; K564-R568 VanDerWaalsContact O-CG 3.32Å; K564-R568 WeakPolarHBondContact O-CG 3.41Å; K564-R568 PolarHBondContact O-N 3.44Å; R568-T570 VanDerWaalsContact C-N 3.3Å; R568-T570 PolarHBondContact O-N 2.82Å; R568-Q571 PolarHBondContact O-N 3.22Å; R568-Q571 VanDerWaalsContact O-N 3.13Å; R568-D572 PolarHBondContact O-N 3.11Å
569	R	57.3	Low	48.7	Very low	173 Å²	173	114.9 Å²	114.9	65%	0.653	58%	0.575	S	S	*	*	H	α-helix	trans	-58.9	-40.4	175.3	-73.8	176.7	-179.1	-175.4	-1	112.1	K565 K566 F573	K565-R569 VanDerWaalsContact O-CG 3.31Å; K565-R569 WeakPolarHBondContact O-CG 3.38Å; K565-R569 PolarHBondContact O-N 3.42Å; K566-R569 WeakPolarHBondContact O-CB 3.45Å; K566-R569 PolarHBondContact O-N 3.39Å; R569-F573 WeakPolarHBondContact O-CD2 3.49Å
570	T	50.9	Low	47.2	Very low	83 Å²	83	118.7 Å²	118.7	51%	0.509	60%	0.595	S	S	.	*	H	α-helix	trans	-73.7	-29.2	175.4	35.4	0	0	0	0	113.6	K566 L567 R568 D572 F573 S574	K566-T570 PolarHBondContact O-N 3.16Å; K566-T570 PolarHBondContact O-OG1 3.33Å; L567-T570 VanDerWaalsContact CA-OG1 3.27Å; L567-T570 WeakPolarHBondContact CA-OG1 3.28Å; L567-T570 CarbonylContact O-C 3.56Å; L567-T570 PolarHBondContact O-N 3.16Å; L567-T570 PolarHBondContact O-OG1 3.46Å; R568-T570 VanDerWaalsContact C-N 3.3Å; R568-T570 PolarHBondContact O-N 2.82Å; T570-D572 VanDerWaalsContact C-N 3.33Å; T570-F573 CarbonylContact O-C 3.57Å; T570-F573 WeakPolarHBondContact O-CA 3.44Å; T570-F573 PolarHBondContact O-N 3.18Å; T570-F573 VanDerWaalsContact O-N 3.08Å; T570-S574 PolarHBondContact O-N 3.32Å
571	Q	48	Very low	45.7	Very low	112 Å²	112	121.8 Å²	121.8	52%	0.523	61%	0.612	S	S	.	*	H	α-helix	trans	-65.3	-38.1	173.1	-87.6	-177.5	-35.6	0	0	111.4	L567 R568 F573 S574 E575	L567-Q571 PolarHBondContact O-N 2.85Å; R568-Q571 PolarHBondContact O-N 3.22Å; R568-Q571 VanDerWaalsContact O-N 3.13Å; Q571-F573 PolarHBondContact O-N 3.43Å; Q571-S574 VanDerWaalsContact CA-OG 3.27Å; Q571-S574 WeakPolarHBondContact CA-OG 3.34Å; Q571-S574 PolarHBondContact O-N 3.46Å; Q571-S574 PolarHBondContact O-OG 3.08Å; Q571-E575 PolarHBondContact O-N 3.1Å
572	D	49.4	Very low	44.2	Very low	115 Å²	115	129.6 Å²	129.6	62%	0.615	63%	0.631	S	S	*	*	H	α-helix	trans	-61.1	-26.9	171.6	-63.6	-22.6	0	0	0	111.9	R568 T570	R568-D572 PolarHBondContact O-N 3.11Å; T570-D572 VanDerWaalsContact C-N 3.33Å
573	F	38.9	Very low	42.7	Very low	146 Å²	146	133.5 Å²	133.5	64%	0.64	65%	0.65	S	S	*	*	H	α-helix	trans	-85	-21.9	172.9	-69.8	-71.2	0	0	0	113.7	R569 T570 Q571 E575 V576	R569-F573 WeakPolarHBondContact O-CD2 3.49Å; T570-F573 CarbonylContact O-C 3.57Å; T570-F573 WeakPolarHBondContact O-CA 3.44Å; T570-F573 PolarHBondContact O-N 3.18Å; T570-F573 VanDerWaalsContact O-N 3.08Å; Q571-F573 PolarHBondContact O-N 3.43Å; F573-E575 PolarHBondContact O-N 3.38Å; F573-V576 WeakPolarHBondContact O-CB 3.4Å; F573-V576 PolarHBondContact O-N 3.04Å
574	S	34.9	Very low	41.4	Very low	56 Å²	56	139.7 Å²	139.7	39%	0.392	68%	0.677	S	S	.	*	H	α-helix	trans	-73.7	-14.5	174.1	56.2	0	0	0	0	113.2	T570 Q571 V576 F577	T570-S574 PolarHBondContact O-N 3.32Å; Q571-S574 VanDerWaalsContact CA-OG 3.27Å; Q571-S574 WeakPolarHBondContact CA-OG 3.34Å; Q571-S574 PolarHBondContact O-N 3.46Å; Q571-S574 PolarHBondContact O-OG 3.08Å; S574-V576 PolarHBondContact O-N 2.96Å; S574-F577 CarbonylContact O-C 3.55Å; S574-F577 PolarHBondContact O-N 3.29Å; S574-F577 VanDerWaalsContact O-N 3.15Å
575	E	35.5	Very low	40.7	Very low	178 Å²	178	141.7 Å²	141.7	83%	0.832	69%	0.689	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.8	-18.7	164.1	-70.6	-170.1	171.1	0	0	112.3	Q571 F573	Q571-E575 PolarHBondContact O-N 3.1Å; F573-E575 PolarHBondContact O-N 3.38Å
576	V	37.1	Very low	39.6	Very low	97 Å²	97	142.4 Å²	142.4	59%	0.588	70%	0.696	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.5	-20.5	173.9	-169.9	0	0	0	0	111.8	F573 S574	F573-V576 WeakPolarHBondContact O-CB 3.4Å; F573-V576 PolarHBondContact O-N 3.04Å; S574-V576 PolarHBondContact O-N 2.96Å
577	F	25.7	Very low	38.6	Very low	147 Å²	147	142.4 Å²	142.4	65%	0.645	70%	0.701	S	S	*	*	S	Bend	trans	-143.5	107.7	177.4	-72.1	-80	0	0	0	111.3	S574 V579	S574-F577 CarbonylContact O-C 3.55Å; S574-F577 PolarHBondContact O-N 3.29Å; S574-F577 VanDerWaalsContact O-N 3.15Å; F577-V579 PolarHBondContact O-N 3.18Å
578	P	26.8	Very low	37.7	Very low	128 Å²	128	145.2 Å²	145.2	83%	0.831	71%	0.713	S	S	*	*			trans	-71.7	99.1	-179.9	29.4	-31.5	0	0	0	108.9
579	V	28.8	Very low	36.4	Very low	121 Å²	121	144.4 Å²	144.4	73%	0.733	72%	0.72	S	S	*	*			trans	-118.7	100.9	171.6	-177.1	0	0	0	0	109.2	F577 D581	F577-V579 PolarHBondContact O-N 3.18Å; V579-D581 PolarHBondContact O-N 2.89Å
580	N	31.4	Very low	35	Very low	158 Å²	158	142.5 Å²	142.5	85%	0.845	72%	0.724	S	S	*	*			trans	4.9	102.2	163.5	-78.2	-26.7	0	0	0	117.9	R582	N580-R582 PolarHBondContact O-N 2.92Å
581	D	28.4	Very low	33.9	Very low	152 Å²	152	146.7 Å²	146.7	81%	0.813	74%	0.74	S	S	*	*			trans	-58.9	83	162.8	-74.4	-44.2	0	0	0	112.7	V579	V579-D581 PolarHBondContact O-N 2.89Å
582	R	31.2	Very low	32.8	Very low	237 Å²	237	149.4 Å²	149.4	89%	0.894	76%	0.756	S	S	*	*			trans	-144.3	62.7	162.4	-67.7	-166.4	-178.2	175.2	2.4	112.3	N580	N580-R582 PolarHBondContact O-N 2.92Å
583	L	28	Very low	31.4	Very low	182 Å²	182	152.3 Å²	152.3	95%	0.953	77%	0.768	S	S	*	*			trans	-119.7	77	157.6	-83.7	163.2	0	0	0	107.9
584	E	30.4	Very low	30.7	Very low	225 Å²	225	152.8 Å²	152.8	100%	1.051	78%	0.78	S	S	*	*			trans	-128.4	0	166.1	-85.3	-152	155.9	0	0	112.1	K139	K139-E584 IonicContact NZ-OE2 3.97Å

Retrieved 584 of 584 residues in 732.9 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).