A0A096LY16_POEFO Loading...

leucine--tRNA ligase

AlphaFold DB , UniProt , Accession A0A096LY16, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 662 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	31.8	Very low	28.6	Very low	252 Å²	252	165.6 Å²	165.6	100%	1.241	87%	0.867	S	S	*	*				0	110.2	0	-78.1	177.6	-175.9	0	0	108.3
2	Q	27.2	Very low	29	Very low	203 Å²	203	161.8 Å²	161.8	95%	0.949	86%	0.86	S	S	*	*			trans	-82	121.6	173.6	-77.1	173.4	-23.8	0	0	108.8
3	A	25.6	Very low	29.2	Very low	100 Å²	100	163.2 Å²	163.2	83%	0.826	87%	0.866	S	S	*	*			trans	-102.9	100.7	170.2	0	0	0	0	0	109.2
4	S	26.2	Very low	29.2	Very low	101 Å²	101	161.1 Å²	161.1	71%	0.706	87%	0.869	S	S	*	*			trans	-92	107	168.3	136	0	0	0	0	108	R6	S4-R6 PolarHBondContact O-N 3.23Å
5	L	26	Very low	29.3	Very low	171 Å²	171	156.5 Å²	156.5	90%	0.895	86%	0.861	S	S	*	*			trans	-84.7	95.3	168.3	-97	151.2	0	0	0	109.1
6	R	30.4	Very low	29.5	Very low	210 Å²	210	155 Å²	155	79%	0.792	86%	0.858	S	S	*	*			trans	-98.9	113.7	163	-79.2	-173.7	177	-159.2	-0.2	108.6	S4	S4-R6 PolarHBondContact O-N 3.23Å
7	R	27.4	Very low	29.5	Very low	248 Å²	248	157.2 Å²	157.2	94%	0.936	86%	0.86	S	S	*	*			trans	-84.1	109.3	159.2	-80.6	-172.6	-176.8	-158	1.5	107.9
8	L	29.9	Very low	29.9	Very low	154 Å²	154	154.8 Å²	154.8	81%	0.806	85%	0.854	S	S	*	*	P	Polyproline II helix	trans	-87.5	125.8	167.7	-77.7	160	0	0	0	108.5
9	T	28.8	Very low	29.8	Very low	127 Å²	127	153.9 Å²	153.9	78%	0.779	86%	0.858	S	S	*	*	P	Polyproline II helix	trans	-88.6	134	160.7	36	0	0	0	0	108.8
10	P	32.3	Very low	29.8	Very low	126 Å²	126	158.4 Å²	158.4	82%	0.818	86%	0.861	S	S	*	*	P	Polyproline II helix	trans	-87.6	130.6	173.2	32.9	-27.5	0	0	0	109.8
11	V	29.2	Very low	29.8	Very low	130 Å²	130	156.7 Å²	156.7	79%	0.788	86%	0.861	S	S	*	*			trans	-120.1	134.5	161.6	178.2	0	0	0	0	106.3
12	P	33.7	Very low	29.9	Very low	120 Å²	120	156.6 Å²	156.6	78%	0.779	85%	0.847	S	S	*	*			trans	-78.6	150.7	-162.7	30.8	-33.9	0	0	0	113.3
13	L	31.3	Very low	30	Very low	179 Å²	179	151.6 Å²	151.6	94%	0.937	84%	0.84	S	S	*	*			trans	-58.3	130.3	169.5	-80.2	141.5	0	0	0	111.4
14	C	28.7	Very low	30.3	Very low	134 Å²	134	151.2 Å²	151.2	91%	0.905	84%	0.837	S	S	*	*			trans	-129.3	138.2	155.9	-127.8	0	0	0	0	109.2
15	A	31.1	Very low	30.6	Very low	92 Å²	92	154.7 Å²	154.7	76%	0.76	85%	0.847	S	S	*	*			trans	-85.8	141.9	-161.7	0	0	0	0	0	114.5
16	V	32.5	Very low	30.9	Very low	133 Å²	133	157.9 Å²	157.9	81%	0.806	85%	0.847	S	S	*	*			trans	22.3	123.4	140.3	-169.8	0	0	0	0	119.7
17	Q	29.8	Very low	31	Very low	192 Å²	192	153.5 Å²	153.5	90%	0.897	85%	0.849	S	S	*	*				-156.6	142.1	126.4	-110.9	-175.5	-6.9	0	0	111.7
18	P	37.3	Very low	31.2	Very low	115 Å²	115	146.4 Å²	146.4	75%	0.747	84%	0.837	S	S	*	*			trans	-101.6	139.3	-178.6	36.2	-27.4	0	0	0	111.9
19	C	26.6	Very low	31.5	Very low	138 Å²	138	143.5 Å²	143.5	93%	0.932	84%	0.835	S	S	*	*			trans	-150.2	137.8	155.8	-142.9	0	0	0	0	112.2
20	R	31	Very low	31.9	Very low	242 Å²	242	144 Å²	144	91%	0.913	83%	0.833	S	S	*	*			trans	-79.9	140.1	-172.8	-67.7	170.7	167.9	179.4	-3.5	111.4
21	S	29.1	Very low	32.1	Very low	123 Å²	123	149.1 Å²	149.1	86%	0.86	84%	0.835	S	S	*	*			trans	-165.1	142.2	130	60.2	0	0	0	0	111.2
22	R	34	Very low	32.6	Very low	250 Å²	250	152.1 Å²	152.1	94%	0.943	84%	0.838	S	S	*	*			trans	-81.5	133.2	-178.2	-72	172.1	165.1	-168.7	-5	110.2
23	A	30.2	Very low	32.9	Very low	99 Å²	99	154.3 Å²	154.3	82%	0.818	84%	0.843	S	S	*	*			trans	-163.5	132.5	147.6	0	0	0	0	0	112.4
24	A	31.1	Very low	33.4	Very low	92 Å²	92	150.4 Å²	150.4	76%	0.76	83%	0.83	S	S	*	*			trans	63	96	156.8	0	0	0	0	0	119.7	W26	A24-W26 PolarHBondContact O-N 3.13Å
25	L	32.5	Very low	34.1	Very low	173 Å²	173	149.5 Å²	149.5	91%	0.906	82%	0.823	S	S	*	*			trans	-66	102.8	157.1	-78.1	154.1	0	0	0	110.1
26	W	32.6	Very low	34.6	Very low	238 Å²	238	149.8 Å²	149.8	90%	0.902	82%	0.819	S	S	*	*			trans	-117.8	104.1	151.8	-84	52.6	0	0	0	106.3	A24 S28	A24-W26 PolarHBondContact O-N 3.13Å; W26-S28 PolarHBondContact O-N 2.87Å
27	S	32.1	Very low	35.3	Very low	118 Å²	118	150.2 Å²	150.2	83%	0.825	82%	0.815	S	S	*	*			trans	-67.1	95.1	-178.9	55.7	0	0	0	0	110.3	A29	S27-A29 PolarHBondContact O-N 3.26Å
28	S	32.6	Very low	36.1	Very low	100 Å²	100	152 Å²	152	70%	0.699	81%	0.814	S	S	*	*			trans	-71.8	103.5	154.3	50.6	0	0	0	0	107.1	W26 L30	W26-S28 PolarHBondContact O-N 2.87Å; S28-L30 PolarHBondContact O-N 3.29Å
29	A	35.7	Very low	36.7	Very low	93 Å²	93	152 Å²	152	77%	0.769	81%	0.812	S	S	*	*			trans	-65	85.8	165.9	0	0	0	0	0	107.9	S27 R31	S27-A29 PolarHBondContact O-N 3.26Å; A29-R31 VanDerWaalsContact C-N 3.25Å; A29-R31 PolarHBondContact O-N 2.82Å
30	L	35.9	Very low	38.1	Very low	137 Å²	137	152.6 Å²	152.6	72%	0.717	81%	0.805	S	S	*	*			trans	-53.9	97.3	157.2	-91.4	150.6	0	0	0	106.1	S28 F32	S28-L30 PolarHBondContact O-N 3.29Å; L30-F32 PolarHBondContact O-N 3.49Å
31	R	36.6	Very low	39.5	Very low	233 Å²	233	148.2 Å²	148.2	88%	0.879	79%	0.793	S	S	*	*			trans	-59.7	95.9	162.4	-73.2	-176	-174.3	-169.8	1.7	105.6	A29 L33	A29-R31 VanDerWaalsContact C-N 3.25Å; A29-R31 PolarHBondContact O-N 2.82Å; R31-L33 VanDerWaalsContact C-N 3.32Å; R31-L33 PolarHBondContact O-N 2.93Å
32	F	39.6	Very low	41.1	Very low	193 Å²	193	143.9 Å²	143.9	85%	0.846	76%	0.763	S	S	*	*			trans	-55.6	104.6	162.2	-81.4	-87.8	0	0	0	106.1	L30 S34	L30-F32 PolarHBondContact O-N 3.49Å; F32-S34 PolarHBondContact O-N 2.92Å
33	L	41.8	Very low	42.5	Very low	166 Å²	166	137.6 Å²	137.6	87%	0.869	74%	0.744	S	S	*	*			trans	-55.2	106.7	163.2	-74.9	162.2	0	0	0	105.3	R31	R31-L33 VanDerWaalsContact C-N 3.32Å; R31-L33 PolarHBondContact O-N 2.93Å
34	S	40.2	Very low	44.3	Very low	97 Å²	97	137.8 Å²	137.8	68%	0.678	74%	0.735	S	S	*	*			trans	-58.6	132.8	170.3	86.8	0	0	0	0	106	F32 S36	F32-S34 PolarHBondContact O-N 2.92Å; S34-S36 PolarHBondContact O-N 3.03Å
35	P	43.4	Very low	46.2	Very low	115 Å²	115	136 Å²	136	75%	0.747	73%	0.726	S	S	*	*			trans	-61.3	109.3	172.7	24.2	-29.5	0	0	0	106.4	I37	P35-I37 VanDerWaalsContact C-N 3.32Å; P35-I37 PolarHBondContact O-N 3.18Å
36	S	41.1	Very low	47.9	Very low	98 Å²	98	132.7 Å²	132.7	69%	0.685	71%	0.712	S	S	*	*			trans	-66.7	100	168.7	46.4	0	0	0	0	106.1	S34 R38	S34-S36 PolarHBondContact O-N 3.03Å; S36-R38 VanDerWaalsContact C-N 3.31Å; S36-R38 PolarHBondContact O-N 2.57Å
37	I	47.2	Very low	49.7	Very low	142 Å²	142	128.6 Å²	128.6	73%	0.728	70%	0.697	S	S	*	*			trans	-66	100.4	169.6	-59	176.3	0	0	0	105.1	P35 T39	P35-I37 VanDerWaalsContact C-N 3.32Å; P35-I37 PolarHBondContact O-N 3.18Å; I37-T39 HydrophobicContact CG2-CG2 3.88Å; I37-T39 PolarHBondContact O-N 3.29Å
38	R	46.9	Very low	51.3	Low	231 Å²	231	128.3 Å²	128.3	87%	0.872	68%	0.683	S	S	*	*			trans	-69.5	99.2	166.3	-68.7	-172.3	-174.9	-162.7	1.5	106.6	S36	S36-R38 VanDerWaalsContact C-N 3.31Å; S36-R38 PolarHBondContact O-N 2.57Å
39	T	50.7	Low	53.1	Low	115 Å²	115	131.7 Å²	131.7	71%	0.706	69%	0.693	S	S	*	*	P	Polyproline II helix	trans	-78.5	130.4	169.8	46.8	0	0	0	0	108.4	I37 F41	I37-T39 HydrophobicContact CG2-CG2 3.88Å; I37-T39 PolarHBondContact O-N 3.29Å; T39-F41 PolarHBondContact O-N 3.38Å
40	L	56.7	Low	54.7	Low	150 Å²	150	131 Å²	131	79%	0.785	68%	0.676	S	S	*	*	P	Polyproline II helix	trans	-73.1	118.7	167.6	-74.8	168.5	0	0	0	107.5	W47	L40-W47 HydrophobicContact CB-CH2 3.68Å; L40-W47 HydrophobicContact CB-CZ2 4.13Å
41	F	58.6	Low	56.4	Low	149 Å²	149	126.9 Å²	126.9	65%	0.654	65%	0.651	S	S	*	*	P	Polyproline II helix	trans	-96.6	127.6	-179.9	176.3	-100.9	0	0	0	109.2	T39 E43 W62	T39-F41 PolarHBondContact O-N 3.38Å; F41-E43 HydrophobicContact CE1-CB 3.95Å; F41-E43 HydrophobicContact CZ-CB 4.26Å; F41-W62 HydrophobicContact CE1-CH2 4.48Å; F41-W62 HydrophobicContact CE1-CZ2 4.25Å
42	S	64.3	Low	58.2	Low	32 Å²	32	122 Å²	122	22%	0.224	63%	0.633	C	S	.	*			trans	-119.9	118.9	166.9	170.3	0	0	0	0	107.3	T44 G45 V46	S42-T44 PolarHBondContact O-N 2.83Å; S42-T44 PolarHBondContact OG-OG1 2.81Å; S42-G45 PolarHBondContact O-N 3.46Å; S42-G45 PolarHBondContact OG-N 3.02Å; S42-V46 PolarHBondContact OG-N 3.37Å; S42-V46 PolarHBondContact OG-O 3.06Å
43	E	62.5	Low	59.7	Low	118 Å²	118	115.3 Å²	115.3	55%	0.551	61%	0.609	S	S	*	*	S	Bend	trans	-63.1	-33.5	179.3	-174.2	177.8	-130	0	0	111.6	F41 W62 R66	F41-E43 HydrophobicContact CE1-CB 3.95Å; F41-E43 HydrophobicContact CZ-CB 4.26Å; E43-W62 PolarHBondContact OE1-NE1 2.81Å; E43-W62 VanDerWaalsContact OE1-NE1 3.16Å; E43-W62 VanDerWaalsContact OE2-CD1 3.25Å; E43-W62 PolarHBondContact OE2-NE1 2.87Å; E43-R66 IonicContact OE1-NH2 2.75Å
44	T	69.1	Low	61.4	Low	104 Å²	104	111.8 Å²	111.8	64%	0.638	59%	0.588	S	S	*	*	S	Bend	trans	-90	-14.7	179.7	62.8	0	0	0	0	112.9	S42 V46	S42-T44 PolarHBondContact O-N 2.83Å; S42-T44 PolarHBondContact OG-OG1 2.81Å; T44-V46 PolarHBondContact O-N 2.8Å; T44-V46 VanDerWaalsContact O-N 3.15Å; T44-V46 PolarHBondContact OG1-N 3.41Å
45	G	70.3	Confident	63.2	Low	54 Å²	54	108.1 Å²	108.1	56%	0.557	56%	0.561	S	S	*	*	S	Bend	trans	68.4	-0.8	-169.4	0	0	0	0	0	114.3	S42	S42-G45 PolarHBondContact O-N 3.46Å; S42-G45 PolarHBondContact OG-N 3.02Å
46	V	68.9	Low	64.8	Low	104 Å²	104	103.3 Å²	103.3	63%	0.63	53%	0.528	S	S	*	.			trans	-95.8	129.4	177.6	-177.9	0	0	0	0	108.6	S42 T44	S42-V46 PolarHBondContact OG-N 3.37Å; S42-V46 PolarHBondContact OG-O 3.06Å; T44-V46 PolarHBondContact O-N 2.8Å; T44-V46 VanDerWaalsContact O-N 3.15Å; T44-V46 PolarHBondContact OG1-N 3.41Å
47	W	69.1	Low	66.7	Low	152 Å²	152	103.1 Å²	103.1	58%	0.576	51%	0.513	S	S	*	.			trans	-105.7	108.5	174.7	-66.2	91	0	0	0	108.2	L40	L40-W47 HydrophobicContact CB-CH2 3.68Å; L40-W47 HydrophobicContact CB-CZ2 4.13Å
48	E	66.4	Low	68.3	Low	112 Å²	112	103.2 Å²	103.2	52%	0.523	51%	0.507	S	S	.	.			trans	-81.5	120.3	177.2	-163.3	166.2	-160.5	0	0	109.1	D50 T55	E48-D50 PolarHBondContact O-N 3.25Å; E48-T55 VanDerWaalsContact CD-OG1 3.29Å; E48-T55 WeakPolarHBondContact OE2-CB 3.38Å; E48-T55 WeakPolarHBondContact OE2-CG2 3.17Å; E48-T55 PolarHBondContact OE2-OG1 3.34Å
49	N	69.9	Low	70.1	Confident	170 Å²	170	94.6 Å²	94.6	91%	0.909	48%	0.481	S	S	*	.	S	Bend	trans	-77.5	-10.4	-178.6	-67.7	-38.5	0	0	0	113.1
50	D	69.3	Low	71.8	Confident	78 Å²	78	90.3 Å²	90.3	42%	0.417	45%	0.453	S	S	.	.	S	Bend	trans	-121.4	99.6	-176.2	-167.9	3.8	0	0	0	108.7	E48 R52	E48-D50 PolarHBondContact O-N 3.25Å; D50-R52 HydrophobicContact CB-CG 4.42Å; D50-R52 PolarHBondContact O-N 2.81Å; D50-R52 IonicContact OD2-CZ 3.98Å; D50-R52 IonicContact OD2-NE 3.77Å; D50-R52 PolarHBondContact OD2-NE 2.85Å; D50-R52 IonicContact OD2-NH2 2.85Å; D50-R52 PolarHBondContact OD2-NH2 2.58Å
51	Y	70.8	Confident	73.2	Confident	51 Å²	51	89.3 Å²	89.3	20%	0.2	44%	0.444	C	S	.	.			trans	-78.7	73.8	-175	-164.9	-122.7	0	0	0	111.3	T55 R56 V59 N662	Y51-T55 HydrophobicContact CD2-CG2 3.99Å; Y51-T55 HydrophobicContact CE2-CG2 4.15Å; Y51-R56 HydrophobicContact CD1-CG 3.69Å; Y51-R56 HydrophobicContact CD2-CG 4.47Å; Y51-R56 HydrophobicContact CE1-CB 4.45Å; Y51-R56 HydrophobicContact CE1-CG 3.13Å; Y51-R56 HydrophobicContact CE2-CG 4.01Å; Y51-R56 HydrophobicContact CG-CG 4.32Å; Y51-R56 PolarHBondContact O-NE 2.9Å; Y51-R56 PolarHBondContact O-NH2 3.39Å; Y51-V59 HydrophobicContact CE2-CG2 4.33Å; Y51-N662 HydrophobicContact CD1-CB 3.53Å; Y51-N662 HydrophobicContact CE1-CB 3.44Å; Y51-N662 VanDerWaalsContact CE1-CB 3.44Å
52	R	74.8	Confident	74.6	Confident	132 Å²	132	84.9 Å²	84.9	50%	0.498	42%	0.423	S	S	.	.			trans	-73.5	161.8	-176.5	-66.4	-178	-177.8	-151.7	-0.7	112.7	D50 E54 T55 R56	D50-R52 HydrophobicContact CB-CG 4.42Å; D50-R52 PolarHBondContact O-N 2.81Å; D50-R52 IonicContact OD2-CZ 3.98Å; D50-R52 IonicContact OD2-NE 3.77Å; D50-R52 PolarHBondContact OD2-NE 2.85Å; D50-R52 IonicContact OD2-NH2 2.85Å; D50-R52 PolarHBondContact OD2-NH2 2.58Å; R52-E54 PolarHBondContact O-N 2.82Å; R52-T55 PolarHBondContact O-N 2.78Å; R52-T55 VanDerWaalsContact O-N 3.09Å; R52-R56 PolarHBondContact O-N 2.99Å
53	P	71.8	Confident	75.7	Confident	51 Å²	51	89.7 Å²	89.7	33%	0.331	44%	0.436	S	S	.	.	H	α-helix	trans	-54.5	-33.6	174.8	-26.9	36.2	0	0	0	114	R57	P53-R57 WeakPolarHBondContact O-CG 3.49Å; P53-R57 PolarHBondContact O-N 2.65Å; P53-R57 VanDerWaalsContact O-N 3.15Å; P53-R57 PolarHBondContact O-NE 3.12Å
54	E	77	Confident	76.8	Confident	93 Å²	93	87 Å²	87	44%	0.435	42%	0.424	S	S	.	.	H	α-helix	trans	-66.8	-43.7	175.9	-65.4	62.4	-130.4	0	0	111.7	R52 R57 K58	R52-E54 PolarHBondContact O-N 2.82Å; E54-R57 PolarHBondContact O-N 2.96Å; E54-R57 IonicContact OE1-NH2 2.9Å; E54-R57 PolarHBondContact OE1-NH2 3.17Å; E54-K58 WeakPolarHBondContact O-CG 3.29Å; E54-K58 PolarHBondContact O-N 3.21Å
55	T	77.9	Confident	77.5	Confident	20 Å²	20	85.5 Å²	85.5	12%	0.123	42%	0.417	C	S	.	.	H	α-helix	trans	-65.6	-42	178.9	-48.3	0	0	0	0	110.7	E48 Y51 R52 K58 V59	E48-T55 VanDerWaalsContact CD-OG1 3.29Å; E48-T55 WeakPolarHBondContact OE2-CB 3.38Å; E48-T55 WeakPolarHBondContact OE2-CG2 3.17Å; E48-T55 PolarHBondContact OE2-OG1 3.34Å; Y51-T55 HydrophobicContact CD2-CG2 3.99Å; Y51-T55 HydrophobicContact CE2-CG2 4.15Å; R52-T55 PolarHBondContact O-N 2.78Å; R52-T55 VanDerWaalsContact O-N 3.09Å; T55-K58 PolarHBondContact O-N 3.33Å; T55-V59 WeakPolarHBondContact O-CG2 3.45Å; T55-V59 PolarHBondContact O-N 3.21Å
56	R	78	Confident	78.5	Confident	14 Å²	14	87.6 Å²	87.6	5%	0.053	41%	0.408	C	S	.	.	H	α-helix	trans	-55.2	-52.3	173.1	-79.3	175.2	-153.8	164.6	16.1	112.5	Y51 R52 K58 V59 E60 T629 T659	Y51-R56 HydrophobicContact CD1-CG 3.69Å; Y51-R56 HydrophobicContact CD2-CG 4.47Å; Y51-R56 HydrophobicContact CE1-CB 4.45Å; Y51-R56 HydrophobicContact CE1-CG 3.13Å; Y51-R56 HydrophobicContact CE2-CG 4.01Å; Y51-R56 HydrophobicContact CG-CG 4.32Å; Y51-R56 PolarHBondContact O-NE 2.9Å; Y51-R56 PolarHBondContact O-NH2 3.39Å; R52-R56 PolarHBondContact O-N 2.99Å; R56-K58 VanDerWaalsContact C-N 3.28Å; R56-K58 PolarHBondContact O-N 2.73Å; R56-V59 WeakPolarHBondContact O-CB 3.25Å; R56-V59 PolarHBondContact O-N 2.91Å; R56-E60 WeakPolarHBondContact O-CB 3.45Å; R56-E60 VanDerWaalsContact O-CG 3.31Å; R56-E60 WeakPolarHBondContact O-CG 3.2Å; R56-E60 PolarHBondContact O-N 3.3Å; R56-T629 PolarHBondContact NH1-OG1 3.06Å; R56-T659 VanDerWaalsContact CZ-CG2 3.47Å
57	R	79.5	Confident	79.4	Confident	94 Å²	94	85.6 Å²	85.6	36%	0.355	39%	0.394	S	S	.	.	H	α-helix	trans	-56.4	-44.5	-179.8	-75.6	-179.7	-76.1	169	-7.3	111.5	P53 E54 V59 E60 E61	P53-R57 WeakPolarHBondContact O-CG 3.49Å; P53-R57 PolarHBondContact O-N 2.65Å; P53-R57 VanDerWaalsContact O-N 3.15Å; P53-R57 PolarHBondContact O-NE 3.12Å; E54-R57 PolarHBondContact O-N 2.96Å; E54-R57 IonicContact OE1-NH2 2.9Å; E54-R57 PolarHBondContact OE1-NH2 3.17Å; R57-V59 VanDerWaalsContact C-N 3.34Å; R57-V59 PolarHBondContact O-N 3.03Å; R57-E60 PolarHBondContact O-N 3.49Å; R57-E61 VanDerWaalsContact O-CB 3.32Å; R57-E61 WeakPolarHBondContact O-CB 3.37Å; R57-E61 WeakPolarHBondContact O-CG 3.48Å; R57-E61 PolarHBondContact O-N 3.3Å
58	K	82.8	Confident	80	Confident	143 Å²	143	79.8 Å²	79.8	62%	0.622	37%	0.373	S	S	*	.	H	α-helix	trans	-60.6	-41.5	175.5	-69.2	175.6	-177.5	176.6	0	112.8	E54 T55 R56 W62	E54-K58 WeakPolarHBondContact O-CG 3.29Å; E54-K58 PolarHBondContact O-N 3.21Å; T55-K58 PolarHBondContact O-N 3.33Å; R56-K58 VanDerWaalsContact C-N 3.28Å; R56-K58 PolarHBondContact O-N 2.73Å; K58-W62 VanDerWaalsContact O-CB 3.26Å; K58-W62 WeakPolarHBondContact O-CB 3.3Å; K58-W62 PolarHBondContact O-N 3.1Å
59	V	84	Confident	80.9	Confident	51 Å²	51	79.1 Å²	79.1	31%	0.309	37%	0.37	S	S	.	.	H	α-helix	trans	-67.3	-45.7	177.7	172.7	0	0	0	0	110.8	Y51 T55 R56 R57 W62 W63	Y51-V59 HydrophobicContact CE2-CG2 4.33Å; T55-V59 WeakPolarHBondContact O-CG2 3.45Å; T55-V59 PolarHBondContact O-N 3.21Å; R56-V59 WeakPolarHBondContact O-CB 3.25Å; R56-V59 PolarHBondContact O-N 2.91Å; R57-V59 VanDerWaalsContact C-N 3.34Å; R57-V59 PolarHBondContact O-N 3.03Å; V59-W62 PolarHBondContact O-N 3.01Å; V59-W63 VanDerWaalsContact O-CD1 3.26Å; V59-W63 PolarHBondContact O-N 3.35Å
60	E	86.9	Confident	81.6	Confident	25 Å²	25	75.4 Å²	75.4	12%	0.117	35%	0.347	C	S	.	.	H	α-helix	trans	-59.5	-50.7	177.5	-70.8	169.3	170.7	0	0	110.5	R56 R57 W62 W63 Q64 L627 D628	R56-E60 WeakPolarHBondContact O-CB 3.45Å; R56-E60 VanDerWaalsContact O-CG 3.31Å; R56-E60 WeakPolarHBondContact O-CG 3.2Å; R56-E60 PolarHBondContact O-N 3.3Å; R57-E60 PolarHBondContact O-N 3.49Å; E60-W62 VanDerWaalsContact C-N 3.3Å; E60-W62 PolarHBondContact O-N 3.44Å; E60-W63 PolarHBondContact O-N 3.38Å; E60-Q64 VanDerWaalsContact O-CB 3.26Å; E60-Q64 WeakPolarHBondContact O-CB 3.46Å; E60-Q64 PolarHBondContact O-N 3.02Å; E60-L627 VanDerWaalsContact CD-N 3.33Å; E60-L627 HydrophobicContact CG-CB 4.34Å; E60-L627 PolarHBondContact OE1-N 2.89Å; E60-L627 WeakPolarHBondContact OE2-CB 3.38Å; E60-L627 PolarHBondContact OE2-N 3.28Å; E60-L627 VanDerWaalsContact OE2-N 3.1Å; E60-D628 PolarHBondContact OE1-N 3.22Å
61	E	85.8	Confident	82.3	Confident	128 Å²	128	72.4 Å²	72.4	60%	0.598	33%	0.33	S	S	*	.	H	α-helix	trans	-57.9	-41	175.5	-74.2	168.1	-173.3	0	0	112.2	R57	R57-E61 VanDerWaalsContact O-CB 3.32Å; R57-E61 WeakPolarHBondContact O-CB 3.37Å; R57-E61 WeakPolarHBondContact O-CG 3.48Å; R57-E61 PolarHBondContact O-N 3.3Å
62	W	86.6	Confident	82.7	Confident	57 Å²	57	77.3 Å²	77.3	22%	0.216	35%	0.348	C	S	.	.	H	α-helix	trans	-65	-43.2	178.8	-170.4	95.4	0	0	0	112.1	F41 E43 K58 V59 E60 R66	F41-W62 HydrophobicContact CE1-CH2 4.48Å; F41-W62 HydrophobicContact CE1-CZ2 4.25Å; E43-W62 PolarHBondContact OE1-NE1 2.81Å; E43-W62 VanDerWaalsContact OE1-NE1 3.16Å; E43-W62 VanDerWaalsContact OE2-CD1 3.25Å; E43-W62 PolarHBondContact OE2-NE1 2.87Å; K58-W62 VanDerWaalsContact O-CB 3.26Å; K58-W62 WeakPolarHBondContact O-CB 3.3Å; K58-W62 PolarHBondContact O-N 3.1Å; V59-W62 PolarHBondContact O-N 3.01Å; E60-W62 VanDerWaalsContact C-N 3.3Å; E60-W62 PolarHBondContact O-N 3.44Å; W62-R66 VanDerWaalsContact CD2-NH1 3.3Å; W62-R66 VanDerWaalsContact CE2-NH1 3.34Å; W62-R66 PolarHBondContact O-NH1 3.19Å
63	W	88.2	Confident	82.9	Confident	132 Å²	132	76.4 Å²	76.4	50%	0.5	35%	0.348	S	S	.	.	H	α-helix	trans	-81.3	-33.3	-177.7	-78	110.5	0	0	0	113.7	V59 E60 S65 R66 I67	V59-W63 VanDerWaalsContact O-CD1 3.26Å; V59-W63 PolarHBondContact O-N 3.35Å; E60-W63 PolarHBondContact O-N 3.38Å; W63-S65 PolarHBondContact O-N 3.31Å; W63-R66 PolarHBondContact O-N 2.91Å; W63-R66 VanDerWaalsContact O-N 3.15Å; W63-I67 HydrophobicContact CB-CD1 3.95Å; W63-I67 HydrophobicContact CB-CG1 4.49Å; W63-I67 WeakPolarHBondContact O-CG1 3.5Å; W63-I67 PolarHBondContact O-N 3.35Å
64	Q	85.7	Confident	82.9	Confident	62 Å²	62	76.7 Å²	76.7	29%	0.29	35%	0.347	S	S	.	.	H	α-helix	trans	-52.6	-55.6	-171.7	-176.3	-177.5	19.1	0	0	112.3	E60 R66 I67 M68 D163	E60-Q64 VanDerWaalsContact O-CB 3.26Å; E60-Q64 WeakPolarHBondContact O-CB 3.46Å; E60-Q64 PolarHBondContact O-N 3.02Å; Q64-R66 VanDerWaalsContact C-N 3.34Å; Q64-R66 PolarHBondContact O-N 3.25Å; Q64-I67 PolarHBondContact O-N 3.1Å; Q64-M68 HydrophobicContact CG-SD 4.07Å; Q64-M68 WeakPolarHBondContact O-CB 3.31Å; Q64-M68 VanDerWaalsContact O-CG 3.27Å; Q64-M68 WeakPolarHBondContact O-CG 3.48Å; Q64-M68 PolarHBondContact O-N 2.9Å; Q64-D163 PolarHBondContact NE2-O 2.85Å
65	S	84.4	Confident	82.5	Confident	72 Å²	72	73.2 Å²	73.2	50%	0.503	33%	0.333	S	S	.	.	H	α-helix	trans	-59.8	-42.2	-179.5	57.1	0	0	0	0	112.7	W63 M68 E69	W63-S65 PolarHBondContact O-N 3.31Å; S65-M68 PolarHBondContact O-N 3.28Å; S65-E69 WeakPolarHBondContact O-CB 3.49Å; S65-E69 PolarHBondContact O-N 2.92Å
66	R	89.8	Confident	81.8	Confident	99 Å²	99	79 Å²	79	37%	0.374	36%	0.363	S	S	.	.	H	α-helix	trans	-67.5	-42.7	-179.3	-67	175.9	171.4	84.1	-6.7	112.1	E43 W62 W63 Q64 Q70	E43-R66 IonicContact OE1-NH2 2.75Å; W62-R66 VanDerWaalsContact CD2-NH1 3.3Å; W62-R66 VanDerWaalsContact CE2-NH1 3.34Å; W62-R66 PolarHBondContact O-NH1 3.19Å; W63-R66 PolarHBondContact O-N 2.91Å; W63-R66 VanDerWaalsContact O-N 3.15Å; Q64-R66 VanDerWaalsContact C-N 3.34Å; Q64-R66 PolarHBondContact O-N 3.25Å; R66-Q70 WeakPolarHBondContact O-CB 3.49Å; R66-Q70 PolarHBondContact O-N 3.37Å
67	I	88.6	Confident	81.1	Confident	62 Å²	62	82.8 Å²	82.8	32%	0.318	38%	0.384	S	S	.	.	H	α-helix	trans	-64	-49.2	176.5	-68.2	171.6	0	0	0	109.2	W63 Q64 E69 Q70 W71	W63-I67 HydrophobicContact CB-CD1 3.95Å; W63-I67 HydrophobicContact CB-CG1 4.49Å; W63-I67 WeakPolarHBondContact O-CG1 3.5Å; W63-I67 PolarHBondContact O-N 3.35Å; Q64-I67 PolarHBondContact O-N 3.1Å; I67-E69 PolarHBondContact O-N 2.9Å; I67-Q70 PolarHBondContact O-N 2.84Å; I67-Q70 VanDerWaalsContact O-N 3.17Å; I67-W71 VanDerWaalsContact O-CD1 3.28Å; I67-W71 PolarHBondContact O-N 3.44Å
68	M	82.8	Confident	80	Confident	29 Å²	29	82 Å²	82	14%	0.143	40%	0.397	C	S	.	.	H	α-helix	trans	-60	-43.5	179	-70.1	178.9	86.8	0	0	112.2	Q64 S65 Q70 W71 R72	Q64-M68 HydrophobicContact CG-SD 4.07Å; Q64-M68 WeakPolarHBondContact O-CB 3.31Å; Q64-M68 VanDerWaalsContact O-CG 3.27Å; Q64-M68 WeakPolarHBondContact O-CG 3.48Å; Q64-M68 PolarHBondContact O-N 2.9Å; S65-M68 PolarHBondContact O-N 3.28Å; M68-Q70 VanDerWaalsContact C-N 3.33Å; M68-Q70 PolarHBondContact O-N 3.45Å; M68-W71 WeakPolarHBondContact O-CB 3.3Å; M68-W71 PolarHBondContact O-N 2.94Å; M68-R72 WeakPolarHBondContact O-CG 3.44Å; M68-R72 PolarHBondContact O-N 3.14Å
69	E	84.7	Confident	78.7	Confident	98 Å²	98	85.7 Å²	85.7	46%	0.458	41%	0.409	S	S	.	.	H	α-helix	trans	-61.4	-42.8	176.2	-168.7	-170.9	164.3	0	0	111.5	S65 I67 W71 R72 K73	S65-E69 WeakPolarHBondContact O-CB 3.49Å; S65-E69 PolarHBondContact O-N 2.92Å; I67-E69 PolarHBondContact O-N 2.9Å; E69-W71 VanDerWaalsContact C-N 3.3Å; E69-W71 PolarHBondContact O-N 2.97Å; E69-R72 PolarHBondContact O-N 3.05Å; E69-K73 WeakPolarHBondContact O-CG 3.43Å; E69-K73 PolarHBondContact O-N 2.77Å; E69-K73 WeakPolarHBondContact OE1-CE 3.49Å; E69-K73 IonicContact OE1-NZ 3.21Å; E69-K73 PolarHBondContact OE1-NZ 2.95Å
70	Q	84.2	Confident	77.8	Confident	92 Å²	92	84.5 Å²	84.5	43%	0.43	40%	0.403	S	S	.	.	H	α-helix	trans	-66.8	-31.1	177.4	-170.2	54	62.8	0	0	112.2	R66 I67 M68 D74 R117	R66-Q70 WeakPolarHBondContact O-CB 3.49Å; R66-Q70 PolarHBondContact O-N 3.37Å; I67-Q70 PolarHBondContact O-N 2.84Å; I67-Q70 VanDerWaalsContact O-N 3.17Å; M68-Q70 VanDerWaalsContact C-N 3.33Å; M68-Q70 PolarHBondContact O-N 3.45Å; Q70-D74 PolarHBondContact NE2-OD1 3.49Å; Q70-D74 PolarHBondContact O-N 3.5Å; Q70-R117 PolarHBondContact O-NH2 2.85Å
71	W	84.3	Confident	77.2	Confident	15 Å²	15	90.9 Å²	90.9	6%	0.057	44%	0.444	C	S	.	.	H	α-helix	trans	-68.4	-44.7	171.1	-90.5	87.6	0	0	0	112.3	I67 M68 E69 K73 D74 A75 A113 H114 R117 N125 C168	I67-W71 VanDerWaalsContact O-CD1 3.28Å; I67-W71 PolarHBondContact O-N 3.44Å; M68-W71 WeakPolarHBondContact O-CB 3.3Å; M68-W71 PolarHBondContact O-N 2.94Å; E69-W71 VanDerWaalsContact C-N 3.3Å; E69-W71 PolarHBondContact O-N 2.97Å; W71-K73 PolarHBondContact O-N 2.67Å; W71-D74 PolarHBondContact O-N 3Å; W71-A75 PolarHBondContact O-N 3.28Å; W71-A75 VanDerWaalsContact O-N 3.11Å; W71-A113 HydrophobicContact CH2-CB 3.67Å; W71-A113 HydrophobicContact CZ2-CB 4.42Å; W71-H114 AromaticContact CE2-CE1 3.91Å; W71-H114 AromaticContact CE2-NE2 3.68Å; W71-H114 AromaticContact CZ2-CD2 3.6Å; W71-H114 AromaticContact CZ2-NE2 3.55Å; W71-H114 AromaticContact NE1-CE1 3.17Å; W71-H114 PolarHBondContact NE1-CE1 3Å; W71-H114 AromaticContact NE1-ND1 3.99Å; W71-H114 AromaticContact NE1-NE2 3.21Å; W71-H114 PolarHBondContact NE1-NE2 2.97Å; W71-R117 VanDerWaalsContact CG-NH1 3.25Å; W71-N125 HydrophobicContact CH2-CB 4.49Å; W71-N125 HydrophobicContact CZ3-CB 4.28Å; W71-C168 VanDerWaalsContact CD1-SG 3.56Å; W71-C168 HydrophobicContact CD2-CB 3.45Å; W71-C168 VanDerWaalsContact CD2-CB 3.45Å; W71-C168 HydrophobicContact CE3-CB 3.87Å; W71-C168 HydrophobicContact CG-CB 3.81Å; W71-C168 HydrophobicContact CH2-CB 3.92Å; W71-C168 HydrophobicContact CZ2-CB 3.55Å; W71-C168 HydrophobicContact CZ3-CB 4.08Å; W71-C168 WeakPolarHBondContact CZ3-O 3.29Å; W71-C168 PolarHBondContact NE1-SG 2.96Å
72	R	79.8	Confident	77.1	Confident	155 Å²	155	89.9 Å²	89.9	59%	0.585	44%	0.437	S	S	*	.	H	α-helix	trans	-60.1	-43.4	176.8	-70.4	177	-171.2	168.7	2.7	112.1	M68 E69 D74 A75 L76	M68-R72 WeakPolarHBondContact O-CG 3.44Å; M68-R72 PolarHBondContact O-N 3.14Å; E69-R72 PolarHBondContact O-N 3.05Å; R72-D74 VanDerWaalsContact C-N 3.33Å; R72-D74 PolarHBondContact O-N 3.31Å; R72-A75 PolarHBondContact O-N 2.92Å; R72-L76 PolarHBondContact O-N 2.82Å
73	K	78.8	Confident	77.3	Confident	112 Å²	112	94.5 Å²	94.5	49%	0.487	46%	0.459	S	S	.	.	H	α-helix	trans	-59.9	-42.2	177.1	-75	174.9	-176.5	165.6	0	112.5	E69 W71	E69-K73 WeakPolarHBondContact O-CG 3.43Å; E69-K73 PolarHBondContact O-N 2.77Å; E69-K73 WeakPolarHBondContact OE1-CE 3.49Å; E69-K73 IonicContact OE1-NZ 3.21Å; E69-K73 PolarHBondContact OE1-NZ 2.95Å; W71-K73 PolarHBondContact O-N 2.67Å
74	D	71.6	Confident	77.5	Confident	58 Å²	58	89.8 Å²	89.8	31%	0.31	44%	0.442	S	S	.	.	H	α-helix	trans	-70.1	-32.4	-179.7	-77.8	26.1	0	0	0	112.5	Q70 W71 R72 L76 N77 R117	Q70-D74 PolarHBondContact NE2-OD1 3.49Å; Q70-D74 PolarHBondContact O-N 3.5Å; W71-D74 PolarHBondContact O-N 3Å; R72-D74 VanDerWaalsContact C-N 3.33Å; R72-D74 PolarHBondContact O-N 3.31Å; D74-L76 VanDerWaalsContact C-N 3.32Å; D74-L76 PolarHBondContact O-N 3.14Å; D74-N77 PolarHBondContact O-N 3.12Å; D74-R117 IonicContact OD1-NH2 3.56Å; D74-R117 PolarHBondContact OD1-NH2 3.23Å; D74-R117 IonicContact OD2-CZ 3.71Å; D74-R117 IonicContact OD2-NE 2.84Å; D74-R117 PolarHBondContact OD2-NE 2.96Å; D74-R117 IonicContact OD2-NH2 2.65Å; D74-R117 PolarHBondContact OD2-NH2 2.76Å
75	A	68.2	Low	78	Confident	19 Å²	19	88.2 Å²	88.2	16%	0.157	43%	0.434	C	S	.	.	H	α-helix	trans	-65.7	-32	178.9	0	0	0	0	0	113.3	W71 R72 N77 N170	W71-A75 PolarHBondContact O-N 3.28Å; W71-A75 VanDerWaalsContact O-N 3.11Å; R72-A75 PolarHBondContact O-N 2.92Å; A75-N77 PolarHBondContact O-N 3.47Å; A75-N170 WeakPolarHBondContact CB-ND2 3.28Å
76	L	62.5	Low	78.5	Confident	142 Å²	142	86.6 Å²	86.6	74%	0.743	42%	0.417	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.6	-9.6	-178.8	-68.7	168.8	0	0	0	114	R72 D74 A78	R72-L76 PolarHBondContact O-N 2.82Å; D74-L76 VanDerWaalsContact C-N 3.32Å; D74-L76 PolarHBondContact O-N 3.14Å; L76-A78 PolarHBondContact O-N 3.42Å; L76-A78 VanDerWaalsContact O-N 3.07Å
77	N	64.8	Low	78.9	Confident	94 Å²	94	81.9 Å²	81.9	50%	0.503	40%	0.4	S	S	.	.			trans	-85.9	78.3	-178.7	-158.7	-9.2	0	0	0	111.2	D74 A75 Y79 Q122	D74-N77 PolarHBondContact O-N 3.12Å; A75-N77 PolarHBondContact O-N 3.47Å; N77-Y79 PolarHBondContact O-N 3.39Å; N77-Q122 PolarHBondContact O-NE2 3.41Å
78	A	55.5	Low	79.4	Confident	76 Å²	76	80.6 Å²	80.6	63%	0.628	39%	0.393	S	S	*	.			trans	-65.1	-19.8	-175.1	0	0	0	0	0	114.6	L76	L76-A78 PolarHBondContact O-N 3.42Å; L76-A78 VanDerWaalsContact O-N 3.07Å
79	Y	55	Low	80.1	Confident	221 Å²	221	79.3 Å²	79.3	87%	0.867	39%	0.387	S	S	*	.	S	Bend	trans	-117.3	67.6	-179.3	-64.9	-79.2	0	0	0	111.1	N77	N77-Y79 PolarHBondContact O-N 3.39Å
80	S	65.5	Low	80.6	Confident	26 Å²	26	75.8 Å²	75.8	18%	0.182	37%	0.371	C	S	.	.			trans	-93.2	128	176.3	173.1	0	0	0	0	110.4	K82	S80-K82 PolarHBondContact O-N 2.72Å; S80-K82 WeakPolarHBondContact OG-CB 3.28Å; S80-K82 WeakPolarHBondContact OG-CD 3.41Å; S80-K82 WeakPolarHBondContact OG-CG 3.48Å; S80-K82 PolarHBondContact OG-N 2.9Å; S80-K82 VanDerWaalsContact OG-N 3.08Å
81	V	75.5	Confident	81.1	Confident	160 Å²	160	73.9 Å²	73.9	97%	0.97	36%	0.361	S	S	*	.			trans	-72.3	-2	166.8	-79.5	0	0	0	0	112.9
82	K	82.1	Confident	81.5	Confident	107 Å²	107	73.4 Å²	73.4	47%	0.465	36%	0.36	S	S	.	.	S	Bend	trans	-70.9	149	178.1	-58.5	171.8	177.2	-180	0	110.4	S80 K84 G120 Q122	S80-K82 PolarHBondContact O-N 2.72Å; S80-K82 WeakPolarHBondContact OG-CB 3.28Å; S80-K82 WeakPolarHBondContact OG-CD 3.41Å; S80-K82 WeakPolarHBondContact OG-CG 3.48Å; S80-K82 PolarHBondContact OG-N 2.9Å; S80-K82 VanDerWaalsContact OG-N 3.08Å; K82-K84 PolarHBondContact O-N 2.89Å; K82-G120 WeakPolarHBondContact CB-O 3.03Å; K82-G120 WeakPolarHBondContact CD-O 3.36Å; K82-Q122 HydrophobicContact CB-CB 4.21Å
83	K	91.1	Very high	82	Confident	153 Å²	153	70.4 Å²	70.4	67%	0.665	35%	0.349	S	S	*	.	P	Polyproline II helix	trans	-62.5	130.2	170.2	-172.9	177.2	179.1	-179.8	0	109.8	H121 Q122	K83-H121 CarbonylContact O-C 3.5Å; K83-H121 WeakPolarHBondContact O-CA 3.34Å; K83-H121 WeakPolarHBondContact O-CB 3.43Å; K83-Q122 PolarHBondContact O-N 3.41Å
84	K	92.7	Very high	82.5	Confident	34 Å²	34	65.1 Å²	65.1	15%	0.148	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.2	153	176	72.3	91	174.8	178.6	0	111.8	K82 Q122 W519 P521 D523	K82-K84 PolarHBondContact O-N 2.89Å; K84-Q122 CarbonylContact C-O 3.6Å; K84-Q122 WeakPolarHBondContact CA-O 3.45Å; K84-W519 HydrophobicContact CB-CE3 4.15Å; K84-W519 HydrophobicContact CB-CH2 4.45Å; K84-W519 HydrophobicContact CB-CZ3 3.86Å; K84-W519 HydrophobicContact CD-CE3 4.27Å; K84-W519 WeakPolarHBondContact CE-O 3.37Å; K84-W519 PolarHBondContact NZ-O 3.43Å; K84-P521 PolarHBondContact NZ-O 3.21Å; K84-D523 WeakPolarHBondContact CD-OD2 3.4Å; K84-D523 IonicContact NZ-OD1 3.23Å; K84-D523 IonicContact NZ-OD2 3.1Å; K84-D523 PolarHBondContact NZ-OD2 2.86Å
85	F	95.7	Very high	82.6	Confident	29 Å²	29	64.2 Å²	64.2	13%	0.127	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.6	113.3	167	-159.4	-81.6	0	0	0	110	V87 I112 Q116 H121 Q122 V123 L124 D523 I524	F85-V87 HydrophobicContact CD1-CG2 3.64Å; F85-V87 HydrophobicContact CE1-CG2 3.7Å; F85-I112 HydrophobicContact CE1-CG2 4.12Å; F85-Q116 HydrophobicContact CB-CB 4.27Å; F85-Q116 HydrophobicContact CD1-CB 4.07Å; F85-Q116 HydrophobicContact CD1-CG 3.67Å; F85-Q116 HydrophobicContact CD2-CB 4.43Å; F85-Q116 HydrophobicContact CD2-CG 3.96Å; F85-Q116 HydrophobicContact CE1-CG 3.72Å; F85-Q116 HydrophobicContact CE2-CG 4.03Å; F85-Q116 HydrophobicContact CG-CB 3.98Å; F85-Q116 HydrophobicContact CG-CG 3.79Å; F85-Q116 HydrophobicContact CZ-CG 3.91Å; F85-H121 HydrophobicContact CB-CB 3.91Å; F85-Q122 PolarHBondContact N-O 2.75Å; F85-V123 HydrophobicContact CB-CG2 4.36Å; F85-V123 VanDerWaalsContact O-CA 3.27Å; F85-V123 WeakPolarHBondContact O-CA 3.35Å; F85-L124 PolarHBondContact O-N 3Å; F85-D523 WeakPolarHBondContact CA-OD2 3.26Å; F85-D523 HydrophobicContact CD1-CB 4.25Å; F85-D523 HydrophobicContact CD2-CB 4.2Å; F85-D523 HydrophobicContact CE1-CB 4.01Å; F85-D523 HydrophobicContact CE2-CB 3.94Å; F85-D523 HydrophobicContact CG-CB 4.34Å; F85-D523 HydrophobicContact CZ-CB 3.85Å; F85-I524 HydrophobicContact CE1-CG2 3.91Å; F85-I524 HydrophobicContact CZ-CG2 4.37Å
86	Y	96.5	Very high	83.2	Confident	38 Å²	38	63.7 Å²	63.7	15%	0.149	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	105.6	-178.8	-169	-2.9	0	0	0	110	L88 L124 P126 W519 V522 D523 I524	Y86-L88 HydrophobicContact CD1-CB 4.27Å; Y86-L88 HydrophobicContact CE1-CB 3.8Å; Y86-L88 HydrophobicContact CE1-CD1 4.1Å; Y86-L88 HydrophobicContact CE1-CG 4.36Å; Y86-L124 HydrophobicContact CD1-CB 4.06Å; Y86-L124 HydrophobicContact CD1-CD2 3.89Å; Y86-L124 HydrophobicContact CD1-CG 3.81Å; Y86-L124 WeakPolarHBondContact CD1-O 3.48Å; Y86-L124 HydrophobicContact CD2-CD2 4.12Å; Y86-L124 HydrophobicContact CE1-CD2 3.8Å; Y86-L124 HydrophobicContact CE1-CG 3.84Å; Y86-L124 HydrophobicContact CE2-CD2 4Å; Y86-L124 HydrophobicContact CG-CB 4.41Å; Y86-L124 HydrophobicContact CG-CD2 4.07Å; Y86-L124 HydrophobicContact CG-CG 4.37Å; Y86-P126 HydrophobicContact CE1-CG 3.59Å; Y86-W519 HydrophobicContact CD2-CB 4.17Å; Y86-V522 HydrophobicContact CD2-CB 4.35Å; Y86-V522 HydrophobicContact CD2-CG2 3.82Å; Y86-V522 HydrophobicContact CE2-CG2 3.72Å; Y86-V522 HydrophobicContact CG-CG1 4.45Å; Y86-V522 HydrophobicContact CG-CG2 4.31Å; Y86-D523 PolarHBondContact N-OD2 3.38Å; Y86-D523 PolarHBondContact O-N 3.16Å; Y86-I524 PolarHBondContact O-N 3.13Å
87	V	97.9	Very high	84.3	Confident	0 Å²	0	61.9 Å²	61.9	0%	0	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	127	169.1	-171.6	0	0	0	0	108.1	F85 I112 A113 V123 L124 N125 P126 I524 I526	F85-V87 HydrophobicContact CD1-CG2 3.64Å; F85-V87 HydrophobicContact CE1-CG2 3.7Å; V87-I112 HydrophobicContact CG2-CG2 3.94Å; V87-A113 HydrophobicContact CG2-CB 4.13Å; V87-V123 HydrophobicContact CG2-CG1 4.35Å; V87-L124 PolarHBondContact N-O 3.15Å; V87-L124 VanDerWaalsContact O-O 3.05Å; V87-N125 WeakPolarHBondContact O-CA 3.49Å; V87-P126 WeakPolarHBondContact O-CD 3.41Å; V87-I524 HydrophobicContact CB-CG2 4.29Å; V87-I524 HydrophobicContact CG1-CG2 3.98Å; V87-I524 HydrophobicContact CG2-CG2 4.17Å; V87-I526 HydrophobicContact CG1-CD1 3.94Å
88	L	98.2	Very high	85.4	Confident	34 Å²	34	57.7 Å²	57.7	18%	0.178	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	124.4	176.8	-178.1	67.9	0	0	0	109.8	Y86 P126 V522 I524 Y525 I526	Y86-L88 HydrophobicContact CD1-CB 4.27Å; Y86-L88 HydrophobicContact CE1-CB 3.8Å; Y86-L88 HydrophobicContact CE1-CD1 4.1Å; Y86-L88 HydrophobicContact CE1-CG 4.36Å; L88-P126 HydrophobicContact CD1-CG 3.71Å; L88-V522 HydrophobicContact CB-CG1 3.64Å; L88-V522 HydrophobicContact CB-CG2 4.33Å; L88-V522 HydrophobicContact CD2-CG2 3.88Å; L88-I524 PolarHBondContact N-O 3.46Å; L88-Y525 HydrophobicContact CB-CD2 3.85Å; L88-Y525 HydrophobicContact CB-CE2 4.27Å; L88-Y525 HydrophobicContact CD2-CD2 3.67Å; L88-Y525 HydrophobicContact CD2-CE2 3.49Å; L88-Y525 VanDerWaalsContact CD2-CE2 3.49Å; L88-Y525 HydrophobicContact CG-CD2 3.72Å; L88-Y525 HydrophobicContact CG-CE2 3.61Å; L88-Y525 CarbonylContact O-C 3.57Å; L88-Y525 VanDerWaalsContact O-CA 3.3Å; L88-Y525 WeakPolarHBondContact O-CA 3.16Å; L88-Y525 WeakPolarHBondContact O-CD2 3.3Å; L88-I526 PolarHBondContact O-N 3.18Å
89	S	97.3	Very high	87.1	Confident	2 Å²	2	55.9 Å²	55.9	1%	0.014	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	149.6	168.4	42.8	0	0	0	0	109.7	F91 Y106 M127 I526	S89-F91 PolarHBondContact O-N 3.21Å; S89-Y106 WeakPolarHBondContact OG-CD1 3.33Å; S89-M127 WeakPolarHBondContact OG-CE 3.47Å; S89-I526 WeakPolarHBondContact CA-O 3.36Å
90	M	96.1	Very high	88.7	Confident	24 Å²	24	45.4 Å²	45.4	12%	0.118	22%	0.219	C	C	.	.			trans	-56.5	113.7	169.6	-76.6	175.2	-174.1	0	0	109.7	Y106 Y525 I526 G527 G528 H531 L536	M90-Y106 PolarHBondContact O-OH 2.88Å; M90-Y525 HydrophobicContact CE-CD1 4.3Å; M90-Y525 HydrophobicContact CE-CE1 3.45Å; M90-Y525 VanDerWaalsContact CE-CE1 3.45Å; M90-Y525 HydrophobicContact CG-CE1 3.8Å; M90-Y525 HydrophobicContact CG-CE2 4.45Å; M90-Y525 WeakPolarHBondContact CG-OH 3.4Å; M90-Y525 HydrophobicContact SD-CE1 4.49Å; M90-I526 PolarHBondContact N-O 3.35Å; M90-G527 WeakPolarHBondContact SD-CA 3.43Å; M90-G528 PolarHBondContact SD-N 3.43Å; M90-H531 HydrophobicContact CE-CB 3.54Å; M90-H531 HydrophobicContact SD-CB 4.2Å; M90-H531 PolarHBondContact SD-CD2 3.37Å; M90-L536 HydrophobicContact CE-CD2 4.38Å; M90-L536 HydrophobicContact CE-CG 4.46Å
91	F	94.7	Very high	89.9	Confident	53 Å²	53	45 Å²	45	23%	0.232	22%	0.219	C	C	.	.	P	Polyproline II helix	trans	-64.8	148	175.6	70.2	-21.5	0	0	0	112	S89 M127 D130 I175 T177	S89-F91 PolarHBondContact O-N 3.21Å; F91-M127 HydrophobicContact CB-SD 3.99Å; F91-D130 HydrophobicContact CD1-CB 4.12Å; F91-D130 HydrophobicContact CE1-CB 3.64Å; F91-D130 HydrophobicContact CE2-CB 4.07Å; F91-D130 HydrophobicContact CZ-CB 3.61Å; F91-I175 HydrophobicContact CE2-CD1 4.21Å; F91-T177 HydrophobicContact CE2-CG2 3.71Å; F91-T177 HydrophobicContact CZ-CG2 3.87Å
92	P	93.2	Very high	90.6	Very high	5 Å²	5	39.3 Å²	39.3	3%	0.032	18%	0.182	C	C	.	.	P	Polyproline II helix	trans	-86.9	156.9	-169.6	33.9	-34.6	0	0	0	113.2	Y106 G128 W129 D130 M158	P92-Y106 WeakPolarHBondContact CB-OH 3.34Å; P92-Y106 VanDerWaalsContact CD-OH 3.23Å; P92-Y106 WeakPolarHBondContact CD-OH 3.23Å; P92-Y106 WeakPolarHBondContact CG-OH 3.28Å; P92-G128 WeakPolarHBondContact CD-O 3.48Å; P92-W129 HydrophobicContact CG-CE3 3.9Å; P92-W129 HydrophobicContact CG-CZ3 3.83Å; P92-D130 PolarHBondContact O-N 3.34Å; P92-M158 HydrophobicContact CB-CE 3.59Å; P92-M158 HydrophobicContact CG-CE 3.58Å
93	Y	90.3	Very high	91.2	Very high	92 Å²	92	34.2 Å²	34.2	36%	0.361	16%	0.16	S	C	.	.	P	Polyproline II helix	trans	-75	126.3	162.8	-62.9	-76.6	0	0	0	110.2	S95 D130 P135	Y93-S95 PolarHBondContact O-N 3.26Å; Y93-D130 HydrophobicContact CD1-CB 3.89Å; Y93-D130 WeakPolarHBondContact CD1-O 3.5Å; Y93-D130 HydrophobicContact CE1-CB 4.02Å; Y93-D130 WeakPolarHBondContact CE1-OD2 3.4Å; Y93-P135 HydrophobicContact CD1-CB 4.37Å; Y93-P135 HydrophobicContact CD1-CG 3.96Å; Y93-P135 HydrophobicContact CE1-CG 4.19Å; Y93-P135 HydrophobicContact CG-CB 4.46Å; Y93-P135 HydrophobicContact CG-CG 4.34Å
94	P	89	Confident	91.3	Very high	1 Å²	1	27 Å²	27	1%	0.006	13%	0.128	C	C	.	.			trans	-79	58.9	176.8	35.1	-34.3	0	0	0	111.7	W129 D130 A131 T151 N154 I155 M158	P94-W129 HydrophobicContact CG-CB 4.42Å; P94-D130 WeakPolarHBondContact CD-O 3.3Å; P94-A131 HydrophobicContact CG-CB 3.91Å; P94-T151 HydrophobicContact CG-CG2 3.9Å; P94-N154 HydrophobicContact CB-CB 4.06Å; P94-N154 WeakPolarHBondContact O-CB 3.41Å; P94-N154 PolarHBondContact O-ND2 2.6Å; P94-I155 HydrophobicContact CB-CG1 3.68Å; P94-I155 HydrophobicContact CG-CD1 4.44Å; P94-I155 HydrophobicContact CG-CG1 4.11Å; P94-M158 HydrophobicContact CB-SD 4.16Å
95	S	73.5	Confident	91.4	Very high	39 Å²	39	26 Å²	26	27%	0.273	12%	0.124	S	C	.	.	S	Bend	trans	-94.6	6.5	-177.2	61.9	0	0	0	0	113.4	Y93 K610	Y93-S95 PolarHBondContact O-N 3.26Å; S95-K610 PolarHBondContact O-NZ 2.81Å
96	G	80.6	Confident	91.4	Very high	8 Å²	8	24.8 Å²	24.8	8%	0.082	12%	0.119	C	C	.	.	S	Bend	trans	143.5	-143.5	179.1	0	0	0	0	0	110.4	N154 M158	G96-N154 WeakPolarHBondContact CA-OD1 3.39Å; G96-N154 PolarHBondContact N-ND2 2.69Å; G96-M158 WeakPolarHBondContact O-CG 3.31Å
97	R	84.7	Confident	91.4	Very high	104 Å²	104	23 Å²	23	39%	0.392	11%	0.112	S	C	.	.			trans	-82	155.4	-174.8	-60.7	175.5	72.7	89.8	-4.1	114.4	D617	R97-D617 IonicContact CZ-OD2 3.87Å; R97-D617 VanDerWaalsContact CZ-OD2 3.26Å; R97-D617 IonicContact NE-OD2 2.84Å; R97-D617 PolarHBondContact NE-OD2 3.15Å; R97-D617 IonicContact NH2-OD1 2.69Å; R97-D617 IonicContact NH2-OD2 2.78Å; R97-D617 PolarHBondContact NH2-OD2 3.01Å
98	L	89.6	Confident	91.4	Very high	5 Å²	5	23.4 Å²	23.4	3%	0.026	11%	0.114	C	C	.	.			trans	-65.8	161.3	169.9	-64.4	177.9	0	0	0	111.9	H102 Y106 M158 Q161 L162 P618	L98-H102 HydrophobicContact CB-CB 4.44Å; L98-H102 HydrophobicContact CD2-CB 3.77Å; L98-Y106 HydrophobicContact CD2-CE2 4.44Å; L98-M158 HydrophobicContact CD2-CE 3.46Å; L98-M158 VanDerWaalsContact CD2-CE 3.46Å; L98-M158 HydrophobicContact CD2-CG 4.45Å; L98-M158 HydrophobicContact CG-CB 4.39Å; L98-M158 HydrophobicContact CG-CE 4.24Å; L98-M158 HydrophobicContact CG-CG 4.21Å; L98-Q161 HydrophobicContact CD1-CB 3.78Å; L98-Q161 HydrophobicContact CG-CB 4.43Å; L98-L162 HydrophobicContact CD1-CD2 3.54Å; L98-L162 HydrophobicContact CD1-CG 3.76Å; L98-P618 HydrophobicContact CB-CG 4.18Å; L98-P618 VanDerWaalsContact O-CD 3.28Å; L98-P618 WeakPolarHBondContact O-CD 3.26Å
99	H	89.3	Confident	91.3	Very high	39 Å²	39	21.8 Å²	21.8	18%	0.181	11%	0.106	C	C	.	.			trans	-138.6	167.5	173.8	59.7	56.2	0	0	0	109.6	G101 H102 V103 L616	H99-G101 WeakPolarHBondContact ND1-CA 3.4Å; H99-G101 PolarHBondContact ND1-N 3.41Å; H99-G101 VanDerWaalsContact ND1-N 3.1Å; H99-G101 PolarHBondContact O-N 3.16Å; H99-H102 AromaticContact CD2-CE1 3.5Å; H99-H102 PolarHBondContact CD2-CE1 3.03Å; H99-H102 VanDerWaalsContact CD2-CE1 3.5Å; H99-H102 AromaticContact CD2-ND1 3.48Å; H99-H102 PolarHBondContact CD2-ND1 3.38Å; H99-H102 AromaticContact CE1-CE1 3.47Å; H99-H102 PolarHBondContact CE1-CE1 3.09Å; H99-H102 VanDerWaalsContact CE1-CE1 3.47Å; H99-H102 AromaticContact CE1-ND1 3.23Å; H99-H102 PolarHBondContact CE1-ND1 3.32Å; H99-H102 AromaticContact CG-CE1 3.96Å; H99-H102 AromaticContact CG-ND1 3.45Å; H99-H102 PolarHBondContact N-ND1 2.84Å; H99-H102 AromaticContact ND1-CE1 3.93Å; H99-H102 PolarHBondContact ND1-N 2.93Å; H99-H102 AromaticContact ND1-ND1 3.28Å; H99-H102 PolarHBondContact ND1-ND1 3.35Å; H99-H102 AromaticContact NE2-CE1 3.17Å; H99-H102 PolarHBondContact NE2-CE1 3.02Å; H99-H102 AromaticContact NE2-ND1 3.35Å; H99-H102 PolarHBondContact NE2-ND1 3.47Å; H99-H102 WeakPolarHBondContact O-CB 3.46Å; H99-H102 PolarHBondContact O-N 2.82Å; H99-V103 PolarHBondContact O-N 3.1Å; H99-L616 WeakPolarHBondContact CA-O 3.33Å
100	M	90.1	Very high	91.2	Very high	1 Å²	1	21.8 Å²	21.8	1%	0.005	11%	0.105	C	C	.	.	H	α-helix	trans	-54.5	-31.6	-176.4	-67.1	-51.5	-63.3	0	0	114.9	H102 V103 R104 I567 M608 L616 P618 V621 V630 I634 W646	M100-H102 VanDerWaalsContact C-N 3.31Å; M100-H102 PolarHBondContact O-N 3.33Å; M100-V103 HydrophobicContact CE-CB 4.18Å; M100-V103 HydrophobicContact CE-CG1 4.26Å; M100-V103 HydrophobicContact CE-CG2 4.38Å; M100-V103 WeakPolarHBondContact O-CB 3.46Å; M100-V103 PolarHBondContact O-N 3.4Å; M100-V103 VanDerWaalsContact O-N 3.16Å; M100-V103 HydrophobicContact SD-CB 4.41Å; M100-V103 HydrophobicContact SD-CG2 3.98Å; M100-R104 PolarHBondContact O-N 3.43Å; M100-I567 HydrophobicContact CB-CD1 4.03Å; M100-I567 HydrophobicContact CB-CG2 4.37Å; M100-I567 WeakPolarHBondContact O-CD1 3.25Å; M100-M608 HydrophobicContact CB-SD 3.99Å; M100-L616 HydrophobicContact CG-CB 3.95Å; M100-L616 PolarHBondContact N-O 2.96Å; M100-P618 HydrophobicContact SD-CB 4.08Å; M100-P618 HydrophobicContact SD-CG 4.17Å; M100-V621 HydrophobicContact CG-CG2 4.45Å; M100-V621 HydrophobicContact SD-CB 4.35Å; M100-V621 HydrophobicContact SD-CG2 4.15Å; M100-V630 HydrophobicContact CE-CG1 3.56Å; M100-I634 HydrophobicContact CE-CD1 3.65Å; M100-I634 HydrophobicContact CE-CG1 4.26Å; M100-W646 HydrophobicContact CB-CZ3 4.47Å; M100-W646 HydrophobicContact CE-CH2 3.67Å; M100-W646 HydrophobicContact CE-CZ3 3.77Å; M100-W646 HydrophobicContact CG-CH2 4.37Å; M100-W646 HydrophobicContact CG-CZ3 4.32Å
101	G	89.4	Confident	91.3	Very high	16 Å²	16	23.3 Å²	23.3	17%	0.165	12%	0.116	C	C	.	.	H	α-helix	trans	-55.5	-39	170.4	0	0	0	0	0	114.7	H99	H99-G101 WeakPolarHBondContact ND1-CA 3.4Å; H99-G101 PolarHBondContact ND1-N 3.41Å; H99-G101 VanDerWaalsContact ND1-N 3.1Å; H99-G101 PolarHBondContact O-N 3.16Å
102	H	91.8	Very high	91.4	Very high	42 Å²	42	22.5 Å²	22.5	19%	0.194	11%	0.114	C	C	.	.	H	α-helix	trans	-67.8	-45.8	173.6	-65.2	102.7	0	0	0	111	L98 H99 M100 R104 V105 Y106	L98-H102 HydrophobicContact CB-CB 4.44Å; L98-H102 HydrophobicContact CD2-CB 3.77Å; H99-H102 AromaticContact CD2-CE1 3.5Å; H99-H102 PolarHBondContact CD2-CE1 3.03Å; H99-H102 VanDerWaalsContact CD2-CE1 3.5Å; H99-H102 AromaticContact CD2-ND1 3.48Å; H99-H102 PolarHBondContact CD2-ND1 3.38Å; H99-H102 AromaticContact CE1-CE1 3.47Å; H99-H102 PolarHBondContact CE1-CE1 3.09Å; H99-H102 VanDerWaalsContact CE1-CE1 3.47Å; H99-H102 AromaticContact CE1-ND1 3.23Å; H99-H102 PolarHBondContact CE1-ND1 3.32Å; H99-H102 AromaticContact CG-CE1 3.96Å; H99-H102 AromaticContact CG-ND1 3.45Å; H99-H102 PolarHBondContact N-ND1 2.84Å; H99-H102 AromaticContact ND1-CE1 3.93Å; H99-H102 PolarHBondContact ND1-N 2.93Å; H99-H102 AromaticContact ND1-ND1 3.28Å; H99-H102 PolarHBondContact ND1-ND1 3.35Å; H99-H102 AromaticContact NE2-CE1 3.17Å; H99-H102 PolarHBondContact NE2-CE1 3.02Å; H99-H102 AromaticContact NE2-ND1 3.35Å; H99-H102 PolarHBondContact NE2-ND1 3.47Å; H99-H102 WeakPolarHBondContact O-CB 3.46Å; H99-H102 PolarHBondContact O-N 2.82Å; M100-H102 VanDerWaalsContact C-N 3.31Å; M100-H102 PolarHBondContact O-N 3.33Å; H102-R104 PolarHBondContact O-N 2.89Å; H102-V105 PolarHBondContact O-N 3.07Å; H102-V105 VanDerWaalsContact O-N 3.13Å; H102-Y106 HydrophobicContact CB-CD2 4.19Å; H102-Y106 HydrophobicContact CB-CE2 3.78Å; H102-Y106 WeakPolarHBondContact O-CD2 3.21Å; H102-Y106 PolarHBondContact O-N 3.2Å; H102-Y106 VanDerWaalsContact O-N 3.07Å
103	V	92.8	Very high	91.5	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	11%	0.113	C	C	.	.	H	α-helix	trans	-56.6	-38	179.1	-170.4	0	0	0	0	110.9	H99 M100 T107 L165 P618 I634	H99-V103 PolarHBondContact O-N 3.1Å; M100-V103 HydrophobicContact CE-CB 4.18Å; M100-V103 HydrophobicContact CE-CG1 4.26Å; M100-V103 HydrophobicContact CE-CG2 4.38Å; M100-V103 WeakPolarHBondContact O-CB 3.46Å; M100-V103 PolarHBondContact O-N 3.4Å; M100-V103 VanDerWaalsContact O-N 3.16Å; M100-V103 HydrophobicContact SD-CB 4.41Å; M100-V103 HydrophobicContact SD-CG2 3.98Å; V103-T107 WeakPolarHBondContact O-CB 3.44Å; V103-T107 PolarHBondContact O-N 3.39Å; V103-T107 PolarHBondContact O-OG1 2.95Å; V103-L165 HydrophobicContact CG1-CD1 4.3Å; V103-L165 HydrophobicContact CG1-CD2 4.11Å; V103-L165 HydrophobicContact CG2-CD1 3.91Å; V103-L165 HydrophobicContact CG2-CD2 4.48Å; V103-P618 HydrophobicContact CG2-CB 3.61Å; V103-P618 HydrophobicContact CG2-CG 3.4Å; V103-I634 HydrophobicContact CB-CD1 3.99Å; V103-I634 HydrophobicContact CG1-CD1 3.48Å; V103-I634 VanDerWaalsContact CG1-CD1 3.48Å
104	R	93.9	Very high	91.8	Very high	2 Å²	2	20.3 Å²	20.3	1%	0.008	11%	0.107	C	C	.	.	H	α-helix	trans	-56.7	-55.6	175.4	-177	170.1	-167.6	-175.4	7.5	112.4	M100 H102 Y106 T107 I108 G565 L566 I567 I634 P639 P640 Q642	M100-R104 PolarHBondContact O-N 3.43Å; H102-R104 PolarHBondContact O-N 2.89Å; R104-Y106 VanDerWaalsContact C-N 3.32Å; R104-Y106 PolarHBondContact O-N 3.08Å; R104-T107 PolarHBondContact O-N 2.84Å; R104-I108 HydrophobicContact CG-CD1 3.89Å; R104-I108 WeakPolarHBondContact O-CD1 3.34Å; R104-I108 VanDerWaalsContact O-CG1 3.24Å; R104-I108 WeakPolarHBondContact O-CG1 3.37Å; R104-I108 PolarHBondContact O-N 3.03Å; R104-I108 VanDerWaalsContact O-N 3.07Å; R104-G565 PolarHBondContact NH1-O 3.1Å; R104-L566 PolarHBondContact NH1-O 3.41Å; R104-I567 HydrophobicContact CB-CD1 3.87Å; R104-I567 HydrophobicContact CB-CG1 4.15Å; R104-I634 HydrophobicContact CB-CG2 4.08Å; R104-I634 HydrophobicContact CG-CG2 3.91Å; R104-P639 PolarHBondContact NH2-O 3.26Å; R104-P640 PolarHBondContact NH2-O 3.06Å; R104-Q642 PolarHBondContact NH1-O 2.95Å; R104-Q642 PolarHBondContact NH2-O 2.59Å
105	V	94.9	Very high	92.1	Very high	11 Å²	11	25.7 Å²	25.7	7%	0.067	13%	0.13	C	C	.	.	H	α-helix	trans	-58.1	-48.6	-177.7	178.7	0	0	0	0	110.3	H102 I108 S109 I526 Q564	H102-V105 PolarHBondContact O-N 3.07Å; H102-V105 VanDerWaalsContact O-N 3.13Å; V105-I108 PolarHBondContact O-N 2.83Å; V105-S109 PolarHBondContact O-N 2.82Å; V105-I526 HydrophobicContact CG1-CG2 4.07Å; V105-Q564 VanDerWaalsContact CG2-CD 3.43Å; V105-Q564 HydrophobicContact CG2-CG 3.81Å; V105-Q564 VanDerWaalsContact CG2-NE2 3.34Å
106	Y	96.2	Very high	93.2	Very high	5 Å²	5	24.8 Å²	24.8	2%	0.02	12%	0.121	C	C	.	.	H	α-helix	trans	-74.1	-32	-174.3	-57.1	-33.7	0	0	0	113.2	S89 M90 P92 L98 H102 R104 I108 S109 D110 M127 L162 F169	S89-Y106 WeakPolarHBondContact OG-CD1 3.33Å; M90-Y106 PolarHBondContact O-OH 2.88Å; P92-Y106 WeakPolarHBondContact CB-OH 3.34Å; P92-Y106 VanDerWaalsContact CD-OH 3.23Å; P92-Y106 WeakPolarHBondContact CD-OH 3.23Å; P92-Y106 WeakPolarHBondContact CG-OH 3.28Å; L98-Y106 HydrophobicContact CD2-CE2 4.44Å; H102-Y106 HydrophobicContact CB-CD2 4.19Å; H102-Y106 HydrophobicContact CB-CE2 3.78Å; H102-Y106 WeakPolarHBondContact O-CD2 3.21Å; H102-Y106 PolarHBondContact O-N 3.2Å; H102-Y106 VanDerWaalsContact O-N 3.07Å; R104-Y106 VanDerWaalsContact C-N 3.32Å; R104-Y106 PolarHBondContact O-N 3.08Å; Y106-I108 VanDerWaalsContact C-N 3.35Å; Y106-S109 WeakPolarHBondContact CA-OG 3.49Å; Y106-S109 PolarHBondContact O-N 3.1Å; Y106-S109 PolarHBondContact O-OG 2.91Å; Y106-D110 VanDerWaalsContact O-CB 3.24Å; Y106-D110 WeakPolarHBondContact O-CB 3.19Å; Y106-D110 PolarHBondContact O-N 3.08Å; Y106-M127 HydrophobicContact CD1-CE 3.71Å; Y106-M127 HydrophobicContact CE1-CE 3.55Å; Y106-M127 HydrophobicContact CE1-SD 4.41Å; Y106-M127 HydrophobicContact CG-CE 4.48Å; Y106-L162 HydrophobicContact CD2-CD2 3.53Å; Y106-L162 HydrophobicContact CE2-CD2 3.97Å; Y106-L162 HydrophobicContact CG-CD2 4.39Å; Y106-F169 HydrophobicContact CD1-CZ 4.3Å; Y106-F169 HydrophobicContact CG-CZ 4.18Å
107	T	96.1	Very high	93.7	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-66.1	-39	172	-59.2	0	0	0	0	111.1	V103 R104 T111 R631 I634 L635	V103-T107 WeakPolarHBondContact O-CB 3.44Å; V103-T107 PolarHBondContact O-N 3.39Å; V103-T107 PolarHBondContact O-OG1 2.95Å; R104-T107 PolarHBondContact O-N 2.84Å; T107-T111 WeakPolarHBondContact O-CB 3.3Å; T107-T111 PolarHBondContact O-N 2.96Å; T107-T111 PolarHBondContact O-OG1 3.1Å; T107-R631 HydrophobicContact CG2-CB 3.82Å; T107-R631 HydrophobicContact CG2-CG 4.01Å; T107-I634 HydrophobicContact CG2-CG2 4.4Å; T107-L635 HydrophobicContact CG2-CD1 4.05Å; T107-L635 HydrophobicContact CG2-CD2 4.16Å; T107-L635 HydrophobicContact CG2-CG 3.97Å
108	I	96.8	Very high	94.1	Very high	9 Å²	9	29.7 Å²	29.7	5%	0.046	15%	0.147	C	C	.	.	H	α-helix	trans	-63.8	-49.1	175.5	-67.7	162.8	0	0	0	110.2	R104 V105 Y106 D110 T111 I112 I526 L562 L635 P640	R104-I108 HydrophobicContact CG-CD1 3.89Å; R104-I108 WeakPolarHBondContact O-CD1 3.34Å; R104-I108 VanDerWaalsContact O-CG1 3.24Å; R104-I108 WeakPolarHBondContact O-CG1 3.37Å; R104-I108 PolarHBondContact O-N 3.03Å; R104-I108 VanDerWaalsContact O-N 3.07Å; V105-I108 PolarHBondContact O-N 2.83Å; Y106-I108 VanDerWaalsContact C-N 3.35Å; I108-D110 VanDerWaalsContact C-N 3.35Å; I108-D110 PolarHBondContact O-N 2.6Å; I108-T111 PolarHBondContact O-N 2.95Å; I108-I112 HydrophobicContact CG2-CD1 3.99Å; I108-I112 WeakPolarHBondContact O-CG1 3.43Å; I108-I112 PolarHBondContact O-N 3.43Å; I108-I112 VanDerWaalsContact O-N 3.1Å; I108-I526 HydrophobicContact CG2-CD1 4.14Å; I108-I526 HydrophobicContact CG2-CG2 4.38Å; I108-L562 HydrophobicContact CG2-CD2 3.65Å; I108-L635 HydrophobicContact CG1-CD2 3.97Å; I108-P640 HydrophobicContact CD1-CB 4.19Å
109	S	97	Very high	94.3	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-60.6	-45.1	178.7	59.1	0	0	0	0	111.9	V105 Y106 T111 I112 A113	V105-S109 PolarHBondContact O-N 2.82Å; Y106-S109 WeakPolarHBondContact CA-OG 3.49Å; Y106-S109 PolarHBondContact O-N 3.1Å; Y106-S109 PolarHBondContact O-OG 2.91Å; S109-T111 PolarHBondContact O-N 2.99Å; S109-I112 PolarHBondContact O-N 3.43Å; S109-A113 VanDerWaalsContact O-CB 3.3Å; S109-A113 WeakPolarHBondContact O-CB 3.38Å; S109-A113 PolarHBondContact O-N 3.06Å
110	D	96.2	Very high	94.3	Very high	1 Å²	1	36.8 Å²	36.8	1%	0.005	18%	0.184	C	C	.	.	H	α-helix	trans	-63.1	-41.6	180	-172.4	79	0	0	0	112.1	Y106 I108 I112 A113 H114 L167 C168 R631	Y106-D110 VanDerWaalsContact O-CB 3.24Å; Y106-D110 WeakPolarHBondContact O-CB 3.19Å; Y106-D110 PolarHBondContact O-N 3.08Å; I108-D110 VanDerWaalsContact C-N 3.35Å; I108-D110 PolarHBondContact O-N 2.6Å; D110-I112 PolarHBondContact O-N 2.88Å; D110-A113 PolarHBondContact O-N 2.93Å; D110-H114 PolarHBondContact O-CD2 3.33Å; D110-H114 PolarHBondContact O-N 3.35Å; D110-H114 IonicContact OD1-CD2 3.83Å; D110-H114 IonicContact OD2-CD2 2.71Å; D110-H114 PolarHBondContact OD2-CD2 2.8Å; D110-H114 VanDerWaalsContact OD2-CD2 3.29Å; D110-H114 IonicContact OD2-NE2 2.7Å; D110-L167 HydrophobicContact CB-CD2 3.81Å; D110-C168 WeakPolarHBondContact OD1-CA 3.33Å; D110-C168 WeakPolarHBondContact OD1-CB 3.32Å; D110-C168 PolarHBondContact OD1-N 3.38Å; D110-R631 IonicContact OD2-CZ 3.21Å; D110-R631 IonicContact OD2-NH1 2.79Å; D110-R631 IonicContact OD2-NH2 2.67Å; D110-R631 PolarHBondContact OD2-NH2 2.61Å
111	T	96.7	Very high	94.4	Very high	56 Å²	56	37.9 Å²	37.9	34%	0.344	19%	0.189	S	C	.	.	H	α-helix	trans	-60.6	-45.6	176.5	-59.4	0	0	0	0	111.7	T107 I108 S109 A113 F115 L635	T107-T111 WeakPolarHBondContact O-CB 3.3Å; T107-T111 PolarHBondContact O-N 2.96Å; T107-T111 PolarHBondContact O-OG1 3.1Å; I108-T111 PolarHBondContact O-N 2.95Å; S109-T111 PolarHBondContact O-N 2.99Å; T111-A113 VanDerWaalsContact C-N 3.34Å; T111-F115 WeakPolarHBondContact O-CB 3.37Å; T111-F115 PolarHBondContact O-N 3.14Å; T111-L635 HydrophobicContact CG2-CD1 4.19Å; T111-L635 WeakPolarHBondContact OG1-CD1 3.41Å
112	I	97.3	Very high	94.5	Very high	37 Å²	37	38.3 Å²	38.3	19%	0.19	19%	0.186	C	C	.	.	H	α-helix	trans	-65.7	-41.5	177.9	-65.8	172.7	0	0	0	110.4	F85 V87 I108 S109 D110 F115 Q116 I524 I526	F85-I112 HydrophobicContact CE1-CG2 4.12Å; V87-I112 HydrophobicContact CG2-CG2 3.94Å; I108-I112 HydrophobicContact CG2-CD1 3.99Å; I108-I112 WeakPolarHBondContact O-CG1 3.43Å; I108-I112 PolarHBondContact O-N 3.43Å; I108-I112 VanDerWaalsContact O-N 3.1Å; S109-I112 PolarHBondContact O-N 3.43Å; D110-I112 PolarHBondContact O-N 2.88Å; I112-F115 PolarHBondContact O-N 3.39Å; I112-Q116 HydrophobicContact CG2-CG 4.32Å; I112-Q116 WeakPolarHBondContact O-CG 3.4Å; I112-Q116 PolarHBondContact O-N 3.41Å; I112-I524 HydrophobicContact CD1-CD1 3.87Å; I112-I524 HydrophobicContact CG2-CG2 4.25Å; I112-I526 HydrophobicContact CD1-CD1 4.21Å
113	A	96.1	Very high	94.5	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-63	-46.3	179.7	0	0	0	0	0	111.5	W71 V87 S109 D110 T111 F115 Q116 R117 V123 N125	W71-A113 HydrophobicContact CH2-CB 3.67Å; W71-A113 HydrophobicContact CZ2-CB 4.42Å; V87-A113 HydrophobicContact CG2-CB 4.13Å; S109-A113 VanDerWaalsContact O-CB 3.3Å; S109-A113 WeakPolarHBondContact O-CB 3.38Å; S109-A113 PolarHBondContact O-N 3.06Å; D110-A113 PolarHBondContact O-N 2.93Å; T111-A113 VanDerWaalsContact C-N 3.34Å; A113-F115 PolarHBondContact O-N 2.89Å; A113-Q116 PolarHBondContact O-N 3.03Å; A113-R117 WeakPolarHBondContact O-CB 3.48Å; A113-R117 PolarHBondContact O-N 2.82Å; A113-V123 HydrophobicContact CB-CG1 3.75Å; A113-N125 HydrophobicContact CB-CB 3.98Å
114	H	95.1	Very high	94.6	Very high	51 Å²	51	37.7 Å²	37.7	24%	0.236	19%	0.185	C	C	.	.	H	α-helix	trans	-58.5	-47.4	172.1	-91.9	-82.2	0	0	0	112.3	W71 D110 Q116 R117 M118	W71-H114 AromaticContact CE2-CE1 3.91Å; W71-H114 AromaticContact CE2-NE2 3.68Å; W71-H114 AromaticContact CZ2-CD2 3.6Å; W71-H114 AromaticContact CZ2-NE2 3.55Å; W71-H114 AromaticContact NE1-CE1 3.17Å; W71-H114 PolarHBondContact NE1-CE1 3Å; W71-H114 AromaticContact NE1-ND1 3.99Å; W71-H114 AromaticContact NE1-NE2 3.21Å; W71-H114 PolarHBondContact NE1-NE2 2.97Å; D110-H114 PolarHBondContact O-CD2 3.33Å; D110-H114 PolarHBondContact O-N 3.35Å; D110-H114 IonicContact OD1-CD2 3.83Å; D110-H114 IonicContact OD2-CD2 2.71Å; D110-H114 PolarHBondContact OD2-CD2 2.8Å; D110-H114 VanDerWaalsContact OD2-CD2 3.29Å; D110-H114 IonicContact OD2-NE2 2.7Å; H114-Q116 PolarHBondContact O-N 2.88Å; H114-R117 PolarHBondContact O-N 3Å; H114-M118 VanDerWaalsContact O-CG 3.3Å; H114-M118 WeakPolarHBondContact O-CG 3.35Å; H114-M118 PolarHBondContact O-N 3.06Å
115	F	96.4	Very high	94.6	Very high	114 Å²	114	37.6 Å²	37.6	50%	0.5	19%	0.185	S	C	.	.	H	α-helix	trans	-58	-47.3	178.7	173.2	-106.8	0	0	0	112.2	T111 I112 A113 M118 R119	T111-F115 WeakPolarHBondContact O-CB 3.37Å; T111-F115 PolarHBondContact O-N 3.14Å; I112-F115 PolarHBondContact O-N 3.39Å; A113-F115 PolarHBondContact O-N 2.89Å; F115-M118 PolarHBondContact O-N 3.34Å; F115-R119 HydrophobicContact CZ-CG 4.37Å; F115-R119 WeakPolarHBondContact O-CG 3.47Å; F115-R119 PolarHBondContact O-N 2.89Å; F115-R119 VanDerWaalsContact O-N 3.09Å
116	Q	95.6	Very high	94.6	Very high	19 Å²	19	37.8 Å²	37.8	9%	0.089	19%	0.186	C	C	.	.	H	α-helix	trans	-70.8	-34.3	-178.5	-64.1	-69.5	20.2	0	0	112.5	F85 I112 A113 H114 R119 G120 H121 V123	F85-Q116 HydrophobicContact CB-CB 4.27Å; F85-Q116 HydrophobicContact CD1-CB 4.07Å; F85-Q116 HydrophobicContact CD1-CG 3.67Å; F85-Q116 HydrophobicContact CD2-CB 4.43Å; F85-Q116 HydrophobicContact CD2-CG 3.96Å; F85-Q116 HydrophobicContact CE1-CG 3.72Å; F85-Q116 HydrophobicContact CE2-CG 4.03Å; F85-Q116 HydrophobicContact CG-CB 3.98Å; F85-Q116 HydrophobicContact CG-CG 3.79Å; F85-Q116 HydrophobicContact CZ-CG 3.91Å; I112-Q116 HydrophobicContact CG2-CG 4.32Å; I112-Q116 WeakPolarHBondContact O-CG 3.4Å; I112-Q116 PolarHBondContact O-N 3.41Å; A113-Q116 PolarHBondContact O-N 3.03Å; H114-Q116 PolarHBondContact O-N 2.88Å; Q116-R119 CarbonylContact O-C 3.58Å; Q116-R119 WeakPolarHBondContact O-CA 3.49Å; Q116-R119 WeakPolarHBondContact O-CB 3.26Å; Q116-R119 PolarHBondContact O-N 2.82Å; Q116-R119 VanDerWaalsContact O-N 3.15Å; Q116-R119 VanDerWaalsContact OE1-NH1 3.15Å; Q116-G120 PolarHBondContact O-N 3.43Å; Q116-H121 HydrophobicContact CB-CB 4.39Å; Q116-H121 WeakPolarHBondContact O-CB 3.26Å; Q116-H121 PolarHBondContact O-N 3.23Å; Q116-H121 VanDerWaalsContact O-N 3.11Å; Q116-H121 PolarHBondContact O-ND1 3.29Å; Q116-H121 PolarHBondContact OE1-CE1 3Å; Q116-H121 PolarHBondContact OE1-ND1 3.11Å; Q116-V123 HydrophobicContact CB-CG2 3.96Å
117	R	91.4	Very high	94.6	Very high	49 Å²	49	37.8 Å²	37.8	19%	0.185	19%	0.187	C	C	.	.	H	α-helix	trans	-62	-44.6	171.9	-174.6	179.6	177.7	-163.9	2.1	111.3	Q70 W71 D74 A113 H114 R119 G120 V123	Q70-R117 PolarHBondContact O-NH2 2.85Å; W71-R117 VanDerWaalsContact CG-NH1 3.25Å; D74-R117 IonicContact OD1-NH2 3.56Å; D74-R117 PolarHBondContact OD1-NH2 3.23Å; D74-R117 IonicContact OD2-CZ 3.71Å; D74-R117 IonicContact OD2-NE 2.84Å; D74-R117 PolarHBondContact OD2-NE 2.96Å; D74-R117 IonicContact OD2-NH2 2.65Å; D74-R117 PolarHBondContact OD2-NH2 2.76Å; A113-R117 WeakPolarHBondContact O-CB 3.48Å; A113-R117 PolarHBondContact O-N 2.82Å; H114-R117 PolarHBondContact O-N 3Å; R117-R119 PolarHBondContact O-N 3.23Å; R117-G120 WeakPolarHBondContact O-CA 3.4Å; R117-G120 PolarHBondContact O-N 3.48Å; R117-V123 HydrophobicContact CB-CG2 3.9Å
118	M	93.3	Very high	94.6	Very high	166 Å²	166	37.9 Å²	37.9	82%	0.818	19%	0.187	S	C	*	.	H	α-helix	trans	-63	-25.6	174.9	-70.6	175.1	71.6	0	0	112.8	H114 F115 G120	H114-M118 VanDerWaalsContact O-CG 3.3Å; H114-M118 WeakPolarHBondContact O-CG 3.35Å; H114-M118 PolarHBondContact O-N 3.06Å; F115-M118 PolarHBondContact O-N 3.34Å; M118-G120 PolarHBondContact O-N 3.08Å
119	R	93.7	Very high	94.6	Very high	155 Å²	155	37.4 Å²	37.4	59%	0.585	19%	0.185	S	C	*	.	T	Hydrogen-bonded Turn	trans	-79.1	0	170.7	-68.8	-176.4	66.9	-158.6	8.2	114.3	F115 Q116 R117	F115-R119 HydrophobicContact CZ-CG 4.37Å; F115-R119 WeakPolarHBondContact O-CG 3.47Å; F115-R119 PolarHBondContact O-N 2.89Å; F115-R119 VanDerWaalsContact O-N 3.09Å; Q116-R119 CarbonylContact O-C 3.58Å; Q116-R119 WeakPolarHBondContact O-CA 3.49Å; Q116-R119 WeakPolarHBondContact O-CB 3.26Å; Q116-R119 PolarHBondContact O-N 2.82Å; Q116-R119 VanDerWaalsContact O-N 3.15Å; Q116-R119 VanDerWaalsContact OE1-NH1 3.15Å; R117-R119 PolarHBondContact O-N 3.23Å
120	G	90.3	Very high	94.4	Very high	39 Å²	39	39.3 Å²	39.3	40%	0.402	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	90.6	12	176.7	0	0	0	0	0	115.1	K82 Q116 R117 M118	K82-G120 WeakPolarHBondContact CB-O 3.03Å; K82-G120 WeakPolarHBondContact CD-O 3.36Å; Q116-G120 PolarHBondContact O-N 3.43Å; R117-G120 WeakPolarHBondContact O-CA 3.4Å; R117-G120 PolarHBondContact O-N 3.48Å; M118-G120 PolarHBondContact O-N 3.08Å
121	H	91.8	Very high	94.2	Very high	23 Å²	23	39.3 Å²	39.3	11%	0.106	20%	0.195	C	C	.	.			trans	-76.2	155.3	175.9	-61.2	86.2	0	0	0	112	K83 F85 Q116 V123	K83-H121 CarbonylContact O-C 3.5Å; K83-H121 WeakPolarHBondContact O-CA 3.34Å; K83-H121 WeakPolarHBondContact O-CB 3.43Å; F85-H121 HydrophobicContact CB-CB 3.91Å; Q116-H121 HydrophobicContact CB-CB 4.39Å; Q116-H121 WeakPolarHBondContact O-CB 3.26Å; Q116-H121 PolarHBondContact O-N 3.23Å; Q116-H121 VanDerWaalsContact O-N 3.11Å; Q116-H121 PolarHBondContact O-ND1 3.29Å; Q116-H121 PolarHBondContact OE1-CE1 3Å; Q116-H121 PolarHBondContact OE1-ND1 3.11Å; H121-V123 HydrophobicContact CB-CG2 4.14Å
122	Q	91.3	Very high	93.7	Very high	25 Å²	25	37.6 Å²	37.6	12%	0.117	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	110.3	161.4	-171.9	-173.1	9	0	0	107.9	N77 K82 K83 K84 F85 W519	N77-Q122 PolarHBondContact O-NE2 3.41Å; K82-Q122 HydrophobicContact CB-CB 4.21Å; K83-Q122 PolarHBondContact O-N 3.41Å; K84-Q122 CarbonylContact C-O 3.6Å; K84-Q122 WeakPolarHBondContact CA-O 3.45Å; F85-Q122 PolarHBondContact N-O 2.75Å; Q122-W519 HydrophobicContact CG-CH2 3.95Å; Q122-W519 HydrophobicContact CG-CZ2 4.45Å
123	V	92.8	Very high	92.8	Very high	20 Å²	20	37 Å²	37	12%	0.121	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	132.2	-171.4	-178.5	0	0	0	0	110.6	F85 V87 A113 Q116 R117 H121	F85-V123 HydrophobicContact CB-CG2 4.36Å; F85-V123 VanDerWaalsContact O-CA 3.27Å; F85-V123 WeakPolarHBondContact O-CA 3.35Å; V87-V123 HydrophobicContact CG2-CG1 4.35Å; A113-V123 HydrophobicContact CB-CG1 3.75Å; Q116-V123 HydrophobicContact CB-CG2 3.96Å; R117-V123 HydrophobicContact CB-CG2 3.9Å; H121-V123 HydrophobicContact CB-CG2 4.14Å
124	L	93	Very high	91.6	Very high	9 Å²	9	37.8 Å²	37.8	5%	0.047	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	118.4	166	175.8	59.2	0	0	0	107.9	F85 Y86 V87 P126 N170 R173 W519	F85-L124 PolarHBondContact O-N 3Å; Y86-L124 HydrophobicContact CD1-CB 4.06Å; Y86-L124 HydrophobicContact CD1-CD2 3.89Å; Y86-L124 HydrophobicContact CD1-CG 3.81Å; Y86-L124 WeakPolarHBondContact CD1-O 3.48Å; Y86-L124 HydrophobicContact CD2-CD2 4.12Å; Y86-L124 HydrophobicContact CE1-CD2 3.8Å; Y86-L124 HydrophobicContact CE1-CG 3.84Å; Y86-L124 HydrophobicContact CE2-CD2 4Å; Y86-L124 HydrophobicContact CG-CB 4.41Å; Y86-L124 HydrophobicContact CG-CD2 4.07Å; Y86-L124 HydrophobicContact CG-CG 4.37Å; V87-L124 PolarHBondContact N-O 3.15Å; V87-L124 VanDerWaalsContact O-O 3.05Å; L124-P126 HydrophobicContact CD1-CB 4.17Å; L124-P126 HydrophobicContact CD1-CG 4.28Å; L124-P126 HydrophobicContact CG-CG 4.25Å; L124-N170 HydrophobicContact CD1-CB 4.06Å; L124-R173 VanDerWaalsContact CD1-CD 3.4Å; L124-W519 HydrophobicContact CB-CD2 4.2Å; L124-W519 HydrophobicContact CB-CE3 3.61Å; L124-W519 HydrophobicContact CB-CH2 3.6Å; L124-W519 HydrophobicContact CB-CZ2 4.19Å; L124-W519 HydrophobicContact CB-CZ3 3.29Å; L124-W519 HydrophobicContact CD2-CB 4.41Å; L124-W519 HydrophobicContact CD2-CD2 3.62Å; L124-W519 HydrophobicContact CD2-CE3 3.76Å; L124-W519 HydrophobicContact CD2-CG 3.91Å; L124-W519 HydrophobicContact CD2-CZ3 4.29Å; L124-W519 HydrophobicContact CG-CE3 4.33Å; L124-W519 HydrophobicContact CG-CZ3 4.41Å
125	N	95.4	Very high	90.6	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	19%	0.187	C	C	.	.			trans	-130.9	78.9	173.8	-176.9	38.4	0	0	0	107.7	W71 V87 A113 C168 F169 N170	W71-N125 HydrophobicContact CH2-CB 4.49Å; W71-N125 HydrophobicContact CZ3-CB 4.28Å; V87-N125 WeakPolarHBondContact O-CA 3.49Å; A113-N125 HydrophobicContact CB-CB 3.98Å; N125-C168 PolarHBondContact ND2-O 3.44Å; N125-F169 WeakPolarHBondContact ND2-CD1 3.21Å; N125-F169 CarbonylContact O-C 3.57Å; N125-F169 VanDerWaalsContact O-CA 3.25Å; N125-F169 WeakPolarHBondContact O-CA 3.12Å; N125-F169 WeakPolarHBondContact O-CD1 3.38Å; N125-N170 PolarHBondContact N-OD1 3.42Å; N125-N170 PolarHBondContact O-N 3.11Å; N125-N170 PolarHBondContact O-OD1 2.98Å
126	P	95	Very high	89.4	Confident	15 Å²	15	31.3 Å²	31.3	10%	0.097	16%	0.164	C	C	.	.			trans	-84	166.9	-174.7	35.4	-29.6	0	0	0	110.6	Y86 V87 L88 L124	Y86-P126 HydrophobicContact CE1-CG 3.59Å; V87-P126 WeakPolarHBondContact O-CD 3.41Å; L88-P126 HydrophobicContact CD1-CG 3.71Å; L124-P126 HydrophobicContact CD1-CB 4.17Å; L124-P126 HydrophobicContact CD1-CG 4.28Å; L124-P126 HydrophobicContact CG-CG 4.25Å
127	M	95.8	Very high	88.4	Confident	6 Å²	6	30.9 Å²	30.9	3%	0.03	16%	0.162	C	C	.	.			trans	-143.9	159.1	172.8	-173.7	50.5	60.9	0	0	109.2	S89 F91 Y106 L162 F169 W171 E174	S89-M127 WeakPolarHBondContact OG-CE 3.47Å; F91-M127 HydrophobicContact CB-SD 3.99Å; Y106-M127 HydrophobicContact CD1-CE 3.71Å; Y106-M127 HydrophobicContact CE1-CE 3.55Å; Y106-M127 HydrophobicContact CE1-SD 4.41Å; Y106-M127 HydrophobicContact CG-CE 4.48Å; M127-L162 HydrophobicContact CG-CD1 4.17Å; M127-F169 HydrophobicContact CB-CB 4.02Å; M127-F169 HydrophobicContact CB-CD1 3.82Å; M127-F169 HydrophobicContact CB-CD2 4.19Å; M127-F169 HydrophobicContact CB-CE1 4.31Å; M127-F169 HydrophobicContact CB-CG 3.75Å; M127-F169 HydrophobicContact CE-CD1 4.08Å; M127-F169 HydrophobicContact CE-CE1 3.43Å; M127-F169 VanDerWaalsContact CE-CE1 3.43Å; M127-F169 HydrophobicContact CE-CE2 4.27Å; M127-F169 HydrophobicContact CE-CZ 3.54Å; M127-W171 HydrophobicContact CB-CE3 4.06Å; M127-W171 HydrophobicContact CB-CH2 3.83Å; M127-W171 HydrophobicContact CB-CZ3 3.51Å; M127-W171 HydrophobicContact CG-CH2 3.61Å; M127-W171 HydrophobicContact CG-CZ3 3.61Å; M127-E174 WeakPolarHBondContact O-CA 3.42Å
128	G	96	Very high	87.6	Confident	1 Å²	1	29.7 Å²	29.7	1%	0.01	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-166.2	-161.9	177	0	0	0	0	0	110.6	P92 I175	P92-G128 WeakPolarHBondContact CD-O 3.48Å; G128-I175 CarbonylContact C-O 3.5Å; G128-I175 WeakPolarHBondContact CA-O 3.31Å
129	W	95.9	Very high	86.6	Confident	0 Å²	0	22.3 Å²	22.3	0%	0	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	121	-173	-47.4	98.4	0	0	0	111	P92 P94 A131 I155 M158 R159 L162 W171 E174 I175 T176 T177	P92-W129 HydrophobicContact CG-CE3 3.9Å; P92-W129 HydrophobicContact CG-CZ3 3.83Å; P94-W129 HydrophobicContact CG-CB 4.42Å; W129-A131 VanDerWaalsContact C-N 3.26Å; W129-A131 HydrophobicContact CB-CB 4.35Å; W129-A131 PolarHBondContact O-N 3.12Å; W129-I155 HydrophobicContact CB-CD1 3.81Å; W129-I155 HydrophobicContact CB-CG1 3.93Å; W129-I155 HydrophobicContact CD2-CB 4.28Å; W129-I155 HydrophobicContact CD2-CD1 4.47Å; W129-I155 HydrophobicContact CD2-CG1 3.77Å; W129-I155 HydrophobicContact CD2-CG2 4.01Å; W129-I155 HydrophobicContact CE3-CG1 4.2Å; W129-I155 HydrophobicContact CG-CB 4.42Å; W129-I155 HydrophobicContact CG-CD1 3.78Å; W129-I155 HydrophobicContact CG-CG1 3.61Å; W129-I155 HydrophobicContact CG-CG2 4.11Å; W129-I155 HydrophobicContact CZ2-CG2 4.11Å; W129-M158 HydrophobicContact CE3-CE 4.31Å; W129-M158 HydrophobicContact CE3-SD 4.43Å; W129-M158 HydrophobicContact CH2-CB 3.59Å; W129-M158 HydrophobicContact CZ3-CB 3.44Å; W129-M158 VanDerWaalsContact CZ3-CB 3.44Å; W129-M158 HydrophobicContact CZ3-CE 3.76Å; W129-M158 HydrophobicContact CZ3-CG 4.32Å; W129-M158 HydrophobicContact CZ3-SD 3.97Å; W129-R159 HydrophobicContact CH2-CB 4.22Å; W129-R159 HydrophobicContact CZ2-CB 3.88Å; W129-L162 HydrophobicContact CH2-CD1 3.91Å; W129-W171 HydrophobicContact CZ2-CH2 4.33Å; W129-W171 HydrophobicContact CZ2-CZ3 4.39Å; W129-E174 PolarHBondContact NE1-OE1 3.29Å; W129-I175 PolarHBondContact N-O 3.3Å; W129-T176 HydrophobicContact CB-CG2 4.4Å; W129-T177 PolarHBondContact O-N 3.38Å; W129-T177 PolarHBondContact O-OG1 2.89Å
130	D	94.3	Very high	85.8	Confident	40 Å²	40	14.9 Å²	14.9	21%	0.214	10%	0.097	C	C	.	.			trans	-81.5	78.4	172	-163.9	0.6	0	0	0	109.8	F91 P92 Y93 P94 T177	F91-D130 HydrophobicContact CD1-CB 4.12Å; F91-D130 HydrophobicContact CE1-CB 3.64Å; F91-D130 HydrophobicContact CE2-CB 4.07Å; F91-D130 HydrophobicContact CZ-CB 3.61Å; P92-D130 PolarHBondContact O-N 3.34Å; Y93-D130 HydrophobicContact CD1-CB 3.89Å; Y93-D130 WeakPolarHBondContact CD1-O 3.5Å; Y93-D130 HydrophobicContact CE1-CB 4.02Å; Y93-D130 WeakPolarHBondContact CE1-OD2 3.4Å; P94-D130 WeakPolarHBondContact CD-O 3.3Å; D130-T177 PolarHBondContact OD1-OG1 2.93Å
131	A	90.5	Very high	85.1	Confident	0 Å²	0	18.1 Å²	18.1	0%	0	10%	0.104	C	C	.	.			trans	-93.7	-13.1	-159	0	0	0	0	0	114.7	P94 W129 T151 I155 T176 T177 C178 W456	P94-A131 HydrophobicContact CG-CB 3.91Å; W129-A131 VanDerWaalsContact C-N 3.26Å; W129-A131 HydrophobicContact CB-CB 4.35Å; W129-A131 PolarHBondContact O-N 3.12Å; A131-T151 HydrophobicContact CB-CG2 3.68Å; A131-I155 HydrophobicContact CB-CD1 4.43Å; A131-T176 HydrophobicContact CB-CG2 3.7Å; A131-T177 PolarHBondContact N-OG1 3.37Å; A131-C178 HydrophobicContact CB-CB 3.82Å; A131-C178 VanDerWaalsContact CB-SG 3.56Å; A131-W456 PolarHBondContact O-NE1 2.89Å
132	F	86.1	Confident	84.2	Confident	20 Å²	20	24 Å²	24	9%	0.088	13%	0.131	C	C	.	.			trans	-90.7	166.6	174.9	-94.4	-34.5	0	0	0	113.4	T177 C178 Y183 W456 T458 L482	F132-T177 VanDerWaalsContact CD2-O 3.23Å; F132-T177 WeakPolarHBondContact CD2-O 3.14Å; F132-T177 WeakPolarHBondContact CE2-O 3.42Å; F132-T177 PolarHBondContact N-OG1 2.76Å; F132-C178 HydrophobicContact CD1-CB 3.58Å; F132-C178 HydrophobicContact CD2-CB 4.16Å; F132-C178 HydrophobicContact CE1-CB 3.61Å; F132-C178 VanDerWaalsContact CE2-CA 3.48Å; F132-C178 HydrophobicContact CE2-CB 4.23Å; F132-C178 HydrophobicContact CG-CB 3.84Å; F132-C178 HydrophobicContact CZ-CB 3.94Å; F132-Y183 AromaticContact CE2-CD1 3.42Å; F132-Y183 HydrophobicContact CE2-CD1 3.42Å; F132-Y183 VanDerWaalsContact CE2-CD1 3.42Å; F132-Y183 HydrophobicContact CE2-CE1 4.11Å; F132-Y183 AromaticContact CE2-CG 3.9Å; F132-Y183 HydrophobicContact CE2-CG 3.9Å; F132-Y183 AromaticContact CZ-CD1 3.71Å; F132-Y183 HydrophobicContact CZ-CD1 3.71Å; F132-Y183 AromaticContact CZ-CE1 3.9Å; F132-Y183 HydrophobicContact CZ-CE1 3.9Å; F132-Y183 HydrophobicContact CZ-CG 4.48Å; F132-W456 AromaticContact CD1-CD1 3.98Å; F132-W456 HydrophobicContact CD1-CD2 4.04Å; F132-W456 AromaticContact CD1-CE2 3.91Å; F132-W456 HydrophobicContact CD1-CG 4.09Å; F132-W456 HydrophobicContact CD1-CZ2 4.45Å; F132-W456 AromaticContact CD1-NE1 3.87Å; F132-W456 HydrophobicContact CE1-CD2 4.07Å; F132-W456 HydrophobicContact CE1-CE3 4.29Å; F132-W456 HydrophobicContact CE1-CG 4.5Å; F132-W456 HydrophobicContact CE1-CH2 4.49Å; F132-W456 HydrophobicContact CE1-CZ2 4.32Å; F132-T458 WeakPolarHBondContact CE2-OG1 3.36Å; F132-L482 HydrophobicContact CE1-CD1 3.61Å; F132-L482 HydrophobicContact CZ-CD1 3.71Å
133	G	78.7	Confident	83.6	Confident	26 Å²	26	28.9 Å²	28.9	27%	0.268	15%	0.149	S	C	.	.	S	Bend	trans	89.9	-177.5	170.3	0	0	0	0	0	114.2	P135 A136 E137 W456	G133-P135 VanDerWaalsContact C-N 3.35Å; G133-P135 WeakPolarHBondContact O-CD 3.46Å; G133-P135 VanDerWaalsContact O-N 3.16Å; G133-A136 PolarHBondContact O-N 3.24Å; G133-E137 PolarHBondContact O-N 3.19Å; G133-W456 WeakPolarHBondContact CA-O 3.4Å; G133-W456 PolarHBondContact N-O 3.48Å
134	L	71.1	Confident	82.9	Confident	15 Å²	15	31.4 Å²	31.4	8%	0.079	18%	0.178	C	C	.	.	H	α-helix	trans	-52.7	-37.3	-169.5	-62.1	173.2	0	0	0	114.9	A136 E137 N138 T214 R229 R454	L134-A136 PolarHBondContact O-N 3.37Å; L134-E137 PolarHBondContact O-N 3.15Å; L134-N138 VanDerWaalsContact O-CB 3.31Å; L134-N138 WeakPolarHBondContact O-CB 3.42Å; L134-N138 PolarHBondContact O-N 2.93Å; L134-T214 HydrophobicContact CD1-CG2 4.16Å; L134-T214 HydrophobicContact CD2-CG2 4.16Å; L134-R229 PolarHBondContact O-NH1 3.38Å; L134-R229 VanDerWaalsContact O-NH1 3.16Å; L134-R454 HydrophobicContact CD2-CG 3.85Å
135	P	73.8	Confident	82.5	Confident	26 Å²	26	34.9 Å²	34.9	17%	0.169	20%	0.197	C	C	.	.	H	α-helix	trans	-62.4	-43.2	-175	-24	34.3	0	0	0	113.5	Y93 G133 A139 R229	Y93-P135 HydrophobicContact CD1-CB 4.37Å; Y93-P135 HydrophobicContact CD1-CG 3.96Å; Y93-P135 HydrophobicContact CE1-CG 4.19Å; Y93-P135 HydrophobicContact CG-CB 4.46Å; Y93-P135 HydrophobicContact CG-CG 4.34Å; G133-P135 VanDerWaalsContact C-N 3.35Å; G133-P135 WeakPolarHBondContact O-CD 3.46Å; G133-P135 VanDerWaalsContact O-N 3.16Å; P135-A139 WeakPolarHBondContact O-CB 3.41Å; P135-A139 PolarHBondContact O-N 2.79Å; P135-R229 VanDerWaalsContact CA-NH1 3.3Å
136	A	72.8	Confident	81.9	Confident	3 Å²	3	37.4 Å²	37.4	3%	0.025	21%	0.21	C	C	.	.	H	α-helix	trans	-72.9	-44	178.1	0	0	0	0	0	110.9	G133 L134 A139 A140	G133-A136 PolarHBondContact O-N 3.24Å; L134-A136 PolarHBondContact O-N 3.37Å; A136-A139 PolarHBondContact O-N 3.18Å; A136-A140 WeakPolarHBondContact O-CB 3.47Å; A136-A140 PolarHBondContact O-N 2.97Å
137	E	74.1	Confident	81.3	Confident	11 Å²	11	37.3 Å²	37.3	5%	0.051	21%	0.21	C	C	.	.	H	α-helix	trans	-64.9	-49.4	-177.4	-163.4	177.8	-154.8	0	0	112.8	G133 L134 A139 A140 I141 P147 R454 Y455 W456	G133-E137 PolarHBondContact O-N 3.19Å; L134-E137 PolarHBondContact O-N 3.15Å; E137-A139 VanDerWaalsContact C-N 3.32Å; E137-A139 PolarHBondContact O-N 3.47Å; E137-A140 PolarHBondContact O-N 2.9Å; E137-I141 HydrophobicContact CG-CD1 3.91Å; E137-I141 VanDerWaalsContact O-CG1 3.29Å; E137-I141 WeakPolarHBondContact O-CG1 3.41Å; E137-I141 PolarHBondContact O-N 3.08Å; E137-P147 HydrophobicContact CG-CG 4.25Å; E137-R454 IonicContact OE1-NE 2.82Å; E137-R454 IonicContact OE2-CZ 3.43Å; E137-R454 IonicContact OE2-NE 3.91Å; E137-R454 PolarHBondContact OE2-NE 2.81Å; E137-R454 IonicContact OE2-NH2 3.99Å; E137-R454 PolarHBondContact OE2-NH2 3.46Å; E137-Y455 PolarHBondContact OE1-N 3.36Å; E137-Y455 VanDerWaalsContact OE1-N 3.1Å; E137-W456 HydrophobicContact CB-CB 3.76Å; E137-W456 HydrophobicContact CB-CG 4.36Å; E137-W456 HydrophobicContact CG-CB 3.68Å; E137-W456 PolarHBondContact OE1-N 3.42Å
138	N	73.8	Confident	80.8	Confident	23 Å²	23	39.9 Å²	39.9	12%	0.123	22%	0.222	C	C	.	.	H	α-helix	trans	-61.4	-43.1	179.2	-75.3	5	0	0	0	111.2	L134 A140 I141 E142 D212 R454	L134-N138 VanDerWaalsContact O-CB 3.31Å; L134-N138 WeakPolarHBondContact O-CB 3.42Å; L134-N138 PolarHBondContact O-N 2.93Å; N138-A140 VanDerWaalsContact C-N 3.28Å; N138-A140 PolarHBondContact O-N 3.42Å; N138-I141 PolarHBondContact O-N 3.42Å; N138-E142 WeakPolarHBondContact O-CB 3.43Å; N138-E142 VanDerWaalsContact O-CG 3.32Å; N138-E142 WeakPolarHBondContact O-CG 3.47Å; N138-E142 PolarHBondContact O-N 2.99Å; N138-D212 PolarHBondContact ND2-OD1 2.89Å; N138-R454 PolarHBondContact OD1-NH1 2.74Å; N138-R454 PolarHBondContact OD1-NH2 3.37Å
139	A	73.3	Confident	80.3	Confident	11 Å²	11	46.2 Å²	46.2	9%	0.091	25%	0.251	C	S	.	.	H	α-helix	trans	-63.5	-36.2	179.8	0	0	0	0	0	112.1	P135 A136 E137 R143 W150	P135-A139 WeakPolarHBondContact O-CB 3.41Å; P135-A139 PolarHBondContact O-N 2.79Å; A136-A139 PolarHBondContact O-N 3.18Å; E137-A139 VanDerWaalsContact C-N 3.32Å; E137-A139 PolarHBondContact O-N 3.47Å; A139-R143 WeakPolarHBondContact O-CD 3.43Å; A139-R143 PolarHBondContact O-NH1 3.38Å; A139-W150 HydrophobicContact CB-CZ2 4.12Å
140	A	77.3	Confident	79.9	Confident	0 Å²	0	47.9 Å²	47.9	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-69.3	-46.7	174.2	0	0	0	0	0	111.7	A136 E137 N138 E142 R143 G144 L145 P147 W150	A136-A140 WeakPolarHBondContact O-CB 3.47Å; A136-A140 PolarHBondContact O-N 2.97Å; E137-A140 PolarHBondContact O-N 2.9Å; N138-A140 VanDerWaalsContact C-N 3.28Å; N138-A140 PolarHBondContact O-N 3.42Å; A140-E142 PolarHBondContact O-N 3.31Å; A140-R143 CarbonylContact O-C 3.55Å; A140-R143 PolarHBondContact O-N 3.01Å; A140-G144 PolarHBondContact O-N 2.99Å; A140-L145 PolarHBondContact O-N 3.17Å; A140-P147 HydrophobicContact CB-CB 4.2Å; A140-P147 HydrophobicContact CB-CG 4.06Å; A140-W150 HydrophobicContact CB-CB 3.77Å; A140-W150 HydrophobicContact CB-CG 3.86Å
141	I	74.3	Confident	79.6	Confident	106 Å²	106	46 Å²	46	54%	0.544	25%	0.247	S	C	.	.	H	α-helix	trans	-58.9	-47	178.2	-70.2	168.2	0	0	0	111.5	E137 N138 R143 G144	E137-I141 HydrophobicContact CG-CD1 3.91Å; E137-I141 VanDerWaalsContact O-CG1 3.29Å; E137-I141 WeakPolarHBondContact O-CG1 3.41Å; E137-I141 PolarHBondContact O-N 3.08Å; N138-I141 PolarHBondContact O-N 3.42Å; I141-R143 PolarHBondContact O-N 3.41Å; I141-G144 PolarHBondContact O-N 2.83Å
142	E	74.1	Confident	79.6	Confident	147 Å²	147	50.7 Å²	50.7	69%	0.687	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.8	-25.4	176.4	-77.9	172.9	-174.7	0	0	113.2	N138 A140	N138-E142 WeakPolarHBondContact O-CB 3.43Å; N138-E142 VanDerWaalsContact O-CG 3.32Å; N138-E142 WeakPolarHBondContact O-CG 3.47Å; N138-E142 PolarHBondContact O-N 2.99Å; A140-E142 PolarHBondContact O-N 3.31Å
143	R	77.1	Confident	79.8	Confident	128 Å²	128	52.2 Å²	52.2	48%	0.483	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-105.7	-1.4	-175.9	-70.1	164.8	-177.6	65.1	9.6	112.9	A139 A140 I141 L145 W150	A139-R143 WeakPolarHBondContact O-CD 3.43Å; A139-R143 PolarHBondContact O-NH1 3.38Å; A140-R143 CarbonylContact O-C 3.55Å; A140-R143 PolarHBondContact O-N 3.01Å; I141-R143 PolarHBondContact O-N 3.41Å; R143-L145 HydrophobicContact CB-CD1 3.94Å; R143-L145 HydrophobicContact CB-CG 3.99Å; R143-L145 PolarHBondContact O-N 2.95Å; R143-W150 VanDerWaalsContact CD-CH2 3.43Å
144	G	79.4	Confident	80.5	Confident	72 Å²	72	51.6 Å²	51.6	74%	0.742	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.2	29.9	-174.7	0	0	0	0	0	113.3	A140 I141	A140-G144 PolarHBondContact O-N 2.99Å; I141-G144 PolarHBondContact O-N 2.83Å
145	L	83.6	Confident	81.6	Confident	83 Å²	83	51.9 Å²	51.9	44%	0.435	27%	0.273	S	S	.	.			trans	-105.8	156	-179.6	-63.6	174.9	0	0	0	111	A140 R143 W150	A140-L145 PolarHBondContact O-N 3.17Å; R143-L145 HydrophobicContact CB-CD1 3.94Å; R143-L145 HydrophobicContact CB-CG 3.99Å; R143-L145 PolarHBondContact O-N 2.95Å; L145-W150 HydrophobicContact CB-CB 4.48Å; L145-W150 HydrophobicContact CD1-CD2 4.47Å; L145-W150 HydrophobicContact CD1-CE3 3.54Å; L145-W150 HydrophobicContact CD1-CZ3 4.03Å
146	D	83.1	Confident	82.5	Confident	52 Å²	52	56.8 Å²	56.8	28%	0.278	29%	0.293	S	S	.	.			trans	-68.4	133	170.1	176.5	-94.9	0	0	0	110.6	E148 E149 W150	D146-E148 VanDerWaalsContact C-N 3.3Å; D146-E148 PolarHBondContact O-N 3.17Å; D146-E148 WeakPolarHBondContact OD1-CA 3.49Å; D146-E148 WeakPolarHBondContact OD1-CB 3.41Å; D146-E148 PolarHBondContact OD1-N 2.86Å; D146-E149 HydrophobicContact CB-CB 4.24Å; D146-E149 HydrophobicContact CB-CG 4.14Å; D146-E149 PolarHBondContact O-N 3.14Å; D146-E149 PolarHBondContact OD1-N 2.89Å; D146-E149 VanDerWaalsContact OD1-N 3.07Å; D146-W150 VanDerWaalsContact O-CB 3.31Å; D146-W150 WeakPolarHBondContact O-CB 3.39Å; D146-W150 PolarHBondContact O-N 2.79Å
147	P	82	Confident	83.4	Confident	13 Å²	13	58.1 Å²	58.1	8%	0.084	30%	0.302	C	S	.	.	H	α-helix	trans	-59.7	-33.2	179.9	-27.1	35.4	0	0	0	114.8	E137 A140 T151 W456	E137-P147 HydrophobicContact CG-CG 4.25Å; A140-P147 HydrophobicContact CB-CB 4.2Å; A140-P147 HydrophobicContact CB-CG 4.06Å; P147-T151 WeakPolarHBondContact O-CB 3.39Å; P147-T151 PolarHBondContact O-N 3.3Å; P147-T151 PolarHBondContact O-OG1 3.19Å; P147-W456 HydrophobicContact CB-CB 4.29Å; P147-W456 HydrophobicContact CB-CD2 3.6Å; P147-W456 HydrophobicContact CB-CE3 3.85Å; P147-W456 HydrophobicContact CB-CG 3.8Å; P147-W456 HydrophobicContact CB-CZ3 4.47Å
148	E	85.6	Confident	84.3	Confident	61 Å²	61	57.7 Å²	57.7	29%	0.285	30%	0.3	S	S	.	.	H	α-helix	trans	-69.1	-48.3	177.8	-170.8	-179.4	163.3	0	0	110.3	D146 T151 K152 W456	D146-E148 VanDerWaalsContact C-N 3.3Å; D146-E148 PolarHBondContact O-N 3.17Å; D146-E148 WeakPolarHBondContact OD1-CA 3.49Å; D146-E148 WeakPolarHBondContact OD1-CB 3.41Å; D146-E148 PolarHBondContact OD1-N 2.86Å; E148-T151 PolarHBondContact O-N 3.02Å; E148-K152 HydrophobicContact CG-CD 4.36Å; E148-K152 WeakPolarHBondContact O-CG 3.34Å; E148-K152 PolarHBondContact O-N 2.85Å; E148-K152 WeakPolarHBondContact OE1-CE 3.3Å; E148-K152 IonicContact OE1-NZ 3.86Å; E148-K152 PolarHBondContact OE1-NZ 2.59Å; E148-W456 VanDerWaalsContact CA-CH2 3.43Å; E148-W456 HydrophobicContact CB-CH2 3.42Å; E148-W456 VanDerWaalsContact CB-CH2 3.42Å; E148-W456 HydrophobicContact CB-CZ2 4.25Å; E148-W456 HydrophobicContact CB-CZ3 3.84Å; E148-W456 HydrophobicContact CG-CH2 3.78Å
149	E	86.4	Confident	85.2	Confident	134 Å²	134	58.8 Å²	58.8	63%	0.626	30%	0.303	S	S	*	.	H	α-helix	trans	-63.2	-45.1	177.5	-64.9	-173.3	148.6	0	0	111.8	D146 T151 K152 S153	D146-E149 HydrophobicContact CB-CB 4.24Å; D146-E149 HydrophobicContact CB-CG 4.14Å; D146-E149 PolarHBondContact O-N 3.14Å; D146-E149 PolarHBondContact OD1-N 2.89Å; D146-E149 VanDerWaalsContact OD1-N 3.07Å; E149-T151 VanDerWaalsContact C-N 3.34Å; E149-T151 PolarHBondContact O-N 3.02Å; E149-K152 PolarHBondContact O-N 2.93Å; E149-S153 PolarHBondContact O-N 2.95Å; E149-S153 PolarHBondContact O-OG 3.32Å
150	W	86.3	Confident	86	Confident	35 Å²	35	64.5 Å²	64.5	13%	0.133	33%	0.327	C	S	.	.	H	α-helix	trans	-59.1	-46	176.3	174.9	-109.1	0	0	0	111.5	A139 A140 R143 L145 D146 S153 N154	A139-W150 HydrophobicContact CB-CZ2 4.12Å; A140-W150 HydrophobicContact CB-CB 3.77Å; A140-W150 HydrophobicContact CB-CG 3.86Å; R143-W150 VanDerWaalsContact CD-CH2 3.43Å; L145-W150 HydrophobicContact CB-CB 4.48Å; L145-W150 HydrophobicContact CD1-CD2 4.47Å; L145-W150 HydrophobicContact CD1-CE3 3.54Å; L145-W150 HydrophobicContact CD1-CZ3 4.03Å; D146-W150 VanDerWaalsContact O-CB 3.31Å; D146-W150 WeakPolarHBondContact O-CB 3.39Å; D146-W150 PolarHBondContact O-N 2.79Å; W150-S153 PolarHBondContact O-N 2.78Å; W150-S153 PolarHBondContact O-OG 3.35Å; W150-N154 WeakPolarHBondContact CZ2-ND2 3.32Å; W150-N154 PolarHBondContact NE1-ND2 2.9Å; W150-N154 PolarHBondContact O-N 3.02Å; W150-N154 PolarHBondContact O-ND2 3.28Å
151	T	88.9	Confident	86.7	Confident	1 Å²	1	64.5 Å²	64.5	1%	0.006	33%	0.327	C	S	.	.	H	α-helix	trans	-62.5	-47.7	179	-65.3	0	0	0	0	111.5	P94 A131 P147 E148 E149 S153 N154 I155	P94-T151 HydrophobicContact CG-CG2 3.9Å; A131-T151 HydrophobicContact CB-CG2 3.68Å; P147-T151 WeakPolarHBondContact O-CB 3.39Å; P147-T151 PolarHBondContact O-N 3.3Å; P147-T151 PolarHBondContact O-OG1 3.19Å; E148-T151 PolarHBondContact O-N 3.02Å; E149-T151 VanDerWaalsContact C-N 3.34Å; E149-T151 PolarHBondContact O-N 3.02Å; T151-S153 PolarHBondContact O-N 3.34Å; T151-N154 PolarHBondContact O-N 2.81Å; T151-I155 HydrophobicContact CG2-CD1 3.88Å; T151-I155 HydrophobicContact CG2-CG1 4.5Å; T151-I155 VanDerWaalsContact O-CG1 3.3Å; T151-I155 WeakPolarHBondContact O-CG1 3.35Å; T151-I155 PolarHBondContact O-N 2.64Å
152	K	90	Very high	87.5	Confident	97 Å²	97	59.4 Å²	59.4	42%	0.422	30%	0.302	S	S	.	.	H	α-helix	trans	-59.3	-47.6	178.2	-74.9	173.6	-175.8	169.6	0	111.7	E148 E149 N154 I155 E156	E148-K152 HydrophobicContact CG-CD 4.36Å; E148-K152 WeakPolarHBondContact O-CG 3.34Å; E148-K152 PolarHBondContact O-N 2.85Å; E148-K152 WeakPolarHBondContact OE1-CE 3.3Å; E148-K152 IonicContact OE1-NZ 3.86Å; E148-K152 PolarHBondContact OE1-NZ 2.59Å; E149-K152 PolarHBondContact O-N 2.93Å; K152-N154 VanDerWaalsContact C-N 3.32Å; K152-N154 PolarHBondContact O-N 3.33Å; K152-I155 WeakPolarHBondContact O-CB 3.49Å; K152-I155 PolarHBondContact O-N 3.4Å; K152-E156 WeakPolarHBondContact O-CG 3.35Å; K152-E156 PolarHBondContact O-N 2.83Å
153	S	91.3	Very high	88.2	Confident	52 Å²	52	54.3 Å²	54.3	36%	0.364	28%	0.279	S	S	.	.	H	α-helix	trans	-63.1	-37.5	-179.9	70.1	0	0	0	0	112.8	E149 W150 T151 S157	E149-S153 PolarHBondContact O-N 2.95Å; E149-S153 PolarHBondContact O-OG 3.32Å; W150-S153 PolarHBondContact O-N 2.78Å; W150-S153 PolarHBondContact O-OG 3.35Å; T151-S153 PolarHBondContact O-N 3.34Å; S153-S157 PolarHBondContact O-N 3.08Å
154	N	91.8	Very high	88.7	Confident	13 Å²	13	50.4 Å²	50.4	7%	0.07	27%	0.271	C	S	.	.	H	α-helix	trans	-69	-39.4	174.2	-72.4	-28.9	0	0	0	112.9	P94 G96 W150 T151 K152 E156 S157 M158	P94-N154 HydrophobicContact CB-CB 4.06Å; P94-N154 WeakPolarHBondContact O-CB 3.41Å; P94-N154 PolarHBondContact O-ND2 2.6Å; G96-N154 WeakPolarHBondContact CA-OD1 3.39Å; G96-N154 PolarHBondContact N-ND2 2.69Å; W150-N154 WeakPolarHBondContact CZ2-ND2 3.32Å; W150-N154 PolarHBondContact NE1-ND2 2.9Å; W150-N154 PolarHBondContact O-N 3.02Å; W150-N154 PolarHBondContact O-ND2 3.28Å; T151-N154 PolarHBondContact O-N 2.81Å; K152-N154 VanDerWaalsContact C-N 3.32Å; K152-N154 PolarHBondContact O-N 3.33Å; N154-E156 VanDerWaalsContact C-N 3.35Å; N154-S157 PolarHBondContact O-N 2.84Å; N154-M158 VanDerWaalsContact O-CB 3.3Å; N154-M158 WeakPolarHBondContact O-CB 3.44Å; N154-M158 WeakPolarHBondContact O-CG 3.48Å; N154-M158 PolarHBondContact O-N 3.35Å
155	I	93.9	Very high	89.1	Confident	21 Å²	21	47.1 Å²	47.1	11%	0.108	24%	0.237	C	C	.	.	H	α-helix	trans	-58.8	-49.2	175.3	-74.5	172	0	0	0	109.8	P94 W129 A131 T151 K152 S157 M158 R159 T176	P94-I155 HydrophobicContact CB-CG1 3.68Å; P94-I155 HydrophobicContact CG-CD1 4.44Å; P94-I155 HydrophobicContact CG-CG1 4.11Å; W129-I155 HydrophobicContact CB-CD1 3.81Å; W129-I155 HydrophobicContact CB-CG1 3.93Å; W129-I155 HydrophobicContact CD2-CB 4.28Å; W129-I155 HydrophobicContact CD2-CD1 4.47Å; W129-I155 HydrophobicContact CD2-CG1 3.77Å; W129-I155 HydrophobicContact CD2-CG2 4.01Å; W129-I155 HydrophobicContact CE3-CG1 4.2Å; W129-I155 HydrophobicContact CG-CB 4.42Å; W129-I155 HydrophobicContact CG-CD1 3.78Å; W129-I155 HydrophobicContact CG-CG1 3.61Å; W129-I155 HydrophobicContact CG-CG2 4.11Å; W129-I155 HydrophobicContact CZ2-CG2 4.11Å; A131-I155 HydrophobicContact CB-CD1 4.43Å; T151-I155 HydrophobicContact CG2-CD1 3.88Å; T151-I155 HydrophobicContact CG2-CG1 4.5Å; T151-I155 VanDerWaalsContact O-CG1 3.3Å; T151-I155 WeakPolarHBondContact O-CG1 3.35Å; T151-I155 PolarHBondContact O-N 2.64Å; K152-I155 WeakPolarHBondContact O-CB 3.49Å; K152-I155 PolarHBondContact O-N 3.4Å; I155-S157 PolarHBondContact O-N 3.07Å; I155-M158 PolarHBondContact O-N 3.34Å; I155-R159 WeakPolarHBondContact O-CB 3.24Å; I155-R159 PolarHBondContact O-N 2.89Å; I155-T176 HydrophobicContact CD1-CG2 3.57Å
156	E	93.3	Very high	89.4	Confident	130 Å²	130	43.8 Å²	43.8	61%	0.607	22%	0.222	S	C	*	.	H	α-helix	trans	-57.3	-51	177.2	-71.8	172.5	-178.9	0	0	111.2	K152 N154 M158 R159 E160	K152-E156 WeakPolarHBondContact O-CG 3.35Å; K152-E156 PolarHBondContact O-N 2.83Å; N154-E156 VanDerWaalsContact C-N 3.35Å; E156-M158 PolarHBondContact O-N 3.33Å; E156-R159 WeakPolarHBondContact O-CB 3.37Å; E156-R159 PolarHBondContact O-N 3Å; E156-E160 WeakPolarHBondContact O-CG 3.38Å; E156-E160 PolarHBondContact O-N 3Å
157	S	91.8	Very high	89.7	Confident	30 Å²	30	41.3 Å²	41.3	21%	0.21	21%	0.209	C	C	.	.	H	α-helix	trans	-63.2	-44.2	-179.6	-175.1	0	0	0	0	112.9	S153 N154 I155 R159 E160 Q161	S153-S157 PolarHBondContact O-N 3.08Å; N154-S157 PolarHBondContact O-N 2.84Å; I155-S157 PolarHBondContact O-N 3.07Å; S157-R159 VanDerWaalsContact C-N 3.31Å; S157-R159 PolarHBondContact O-N 3.24Å; S157-E160 PolarHBondContact O-N 3.18Å; S157-Q161 WeakPolarHBondContact O-CG 3.44Å; S157-Q161 PolarHBondContact O-N 2.97Å
158	M	93.4	Very high	90.2	Very high	2 Å²	2	41 Å²	41	1%	0.01	21%	0.207	C	C	.	.	H	α-helix	trans	-68.8	-33.2	178.4	-70.3	169.2	74.7	0	0	111.5	P92 P94 G96 L98 W129 N154 I155 E156 Q161 L162	P92-M158 HydrophobicContact CB-CE 3.59Å; P92-M158 HydrophobicContact CG-CE 3.58Å; P94-M158 HydrophobicContact CB-SD 4.16Å; G96-M158 WeakPolarHBondContact O-CG 3.31Å; L98-M158 HydrophobicContact CD2-CE 3.46Å; L98-M158 VanDerWaalsContact CD2-CE 3.46Å; L98-M158 HydrophobicContact CD2-CG 4.45Å; L98-M158 HydrophobicContact CG-CB 4.39Å; L98-M158 HydrophobicContact CG-CE 4.24Å; L98-M158 HydrophobicContact CG-CG 4.21Å; W129-M158 HydrophobicContact CE3-CE 4.31Å; W129-M158 HydrophobicContact CE3-SD 4.43Å; W129-M158 HydrophobicContact CH2-CB 3.59Å; W129-M158 HydrophobicContact CZ3-CB 3.44Å; W129-M158 VanDerWaalsContact CZ3-CB 3.44Å; W129-M158 HydrophobicContact CZ3-CE 3.76Å; W129-M158 HydrophobicContact CZ3-CG 4.32Å; W129-M158 HydrophobicContact CZ3-SD 3.97Å; N154-M158 VanDerWaalsContact O-CB 3.3Å; N154-M158 WeakPolarHBondContact O-CB 3.44Å; N154-M158 WeakPolarHBondContact O-CG 3.48Å; N154-M158 PolarHBondContact O-N 3.35Å; I155-M158 PolarHBondContact O-N 3.34Å; E156-M158 PolarHBondContact O-N 3.33Å; M158-Q161 WeakPolarHBondContact O-CB 3.5Å; M158-Q161 PolarHBondContact O-N 2.63Å; M158-L162 WeakPolarHBondContact O-CG 3.37Å; M158-L162 PolarHBondContact O-N 2.85Å
159	R	92.7	Very high	90.5	Very high	47 Å²	47	38.6 Å²	38.6	18%	0.177	20%	0.196	C	C	.	.	H	α-helix	trans	-63.2	-47.3	175.3	179.5	51.5	176.7	-89	-9.6	110.9	W129 I155 E156 S157 Q161 L162 D163 W171 E174	W129-R159 HydrophobicContact CH2-CB 4.22Å; W129-R159 HydrophobicContact CZ2-CB 3.88Å; I155-R159 WeakPolarHBondContact O-CB 3.24Å; I155-R159 PolarHBondContact O-N 2.89Å; E156-R159 WeakPolarHBondContact O-CB 3.37Å; E156-R159 PolarHBondContact O-N 3Å; S157-R159 VanDerWaalsContact C-N 3.31Å; S157-R159 PolarHBondContact O-N 3.24Å; R159-Q161 VanDerWaalsContact C-N 3.29Å; R159-Q161 PolarHBondContact O-N 2.82Å; R159-L162 PolarHBondContact O-N 2.88Å; R159-D163 IonicContact NE-OD1 3.8Å; R159-D163 IonicContact NE-OD2 2.76Å; R159-D163 PolarHBondContact NE-OD2 3.48Å; R159-D163 WeakPolarHBondContact O-CB 3.46Å; R159-D163 PolarHBondContact O-N 2.96Å; R159-W171 VanDerWaalsContact NE-CZ2 3.26Å; R159-W171 VanDerWaalsContact NH2-CD1 3.31Å; R159-E174 IonicContact CZ-OE2 2.76Å; R159-E174 IonicContact NH1-OE1 3.53Å; R159-E174 PolarHBondContact NH1-OE1 3.3Å; R159-E174 IonicContact NH1-OE2 2.83Å; R159-E174 PolarHBondContact NH1-OE2 2.75Å
160	E	90.8	Very high	90.8	Very high	130 Å²	130	32.6 Å²	32.6	61%	0.607	17%	0.168	S	C	*	.	H	α-helix	trans	-58.1	-41.6	172.7	-70.1	176.8	172.2	0	0	111.8	E156 S157 D163 S164	E156-E160 WeakPolarHBondContact O-CG 3.38Å; E156-E160 PolarHBondContact O-N 3Å; S157-E160 PolarHBondContact O-N 3.18Å; E160-D163 PolarHBondContact O-N 2.92Å; E160-S164 VanDerWaalsContact O-CB 3.3Å; E160-S164 WeakPolarHBondContact O-CB 3.45Å; E160-S164 PolarHBondContact O-N 3.25Å; E160-S164 PolarHBondContact O-OG 2.9Å
161	Q	90.7	Very high	91	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-61.4	-47.3	175.1	-71.9	-175.9	-55.1	0	0	111.9	L98 S157 M158 R159 S164 L165 D617 Q619	L98-Q161 HydrophobicContact CD1-CB 3.78Å; L98-Q161 HydrophobicContact CG-CB 4.43Å; S157-Q161 WeakPolarHBondContact O-CG 3.44Å; S157-Q161 PolarHBondContact O-N 2.97Å; M158-Q161 WeakPolarHBondContact O-CB 3.5Å; M158-Q161 PolarHBondContact O-N 2.63Å; R159-Q161 VanDerWaalsContact C-N 3.29Å; R159-Q161 PolarHBondContact O-N 2.82Å; Q161-S164 WeakPolarHBondContact CA-OG 3.47Å; Q161-S164 PolarHBondContact O-N 3.4Å; Q161-S164 PolarHBondContact O-OG 2.86Å; Q161-L165 VanDerWaalsContact O-CG 3.27Å; Q161-L165 WeakPolarHBondContact O-CG 3.43Å; Q161-L165 PolarHBondContact O-N 2.9Å; Q161-L165 VanDerWaalsContact O-N 3.1Å; Q161-D617 PolarHBondContact NE2-OD1 2.86Å; Q161-Q619 HydrophobicContact CG-CG 4.27Å
162	L	91.7	Very high	90.9	Very high	0 Å²	0	36.7 Å²	36.7	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-63.3	-42.6	178.3	-69.1	174.1	0	0	0	112.2	L98 Y106 M127 W129 M158 R159 S164 L165 L167 F169 W171	L98-L162 HydrophobicContact CD1-CD2 3.54Å; L98-L162 HydrophobicContact CD1-CG 3.76Å; Y106-L162 HydrophobicContact CD2-CD2 3.53Å; Y106-L162 HydrophobicContact CE2-CD2 3.97Å; Y106-L162 HydrophobicContact CG-CD2 4.39Å; M127-L162 HydrophobicContact CG-CD1 4.17Å; W129-L162 HydrophobicContact CH2-CD1 3.91Å; M158-L162 WeakPolarHBondContact O-CG 3.37Å; M158-L162 PolarHBondContact O-N 2.85Å; R159-L162 PolarHBondContact O-N 2.88Å; L162-S164 VanDerWaalsContact C-N 3.34Å; L162-L165 WeakPolarHBondContact O-CB 3.45Å; L162-L165 PolarHBondContact O-N 2.68Å; L162-L165 VanDerWaalsContact O-N 3.16Å; L162-L167 HydrophobicContact CD2-CD1 3.82Å; L162-F169 HydrophobicContact CD1-CE2 4.45Å; L162-F169 HydrophobicContact CD2-CE2 4.4Å; L162-W171 HydrophobicContact CB-CH2 4.46Å; L162-W171 HydrophobicContact CB-CZ2 4.12Å; L162-W171 HydrophobicContact CD1-CH2 3.71Å; L162-W171 HydrophobicContact CD1-CZ2 4.18Å
163	D	87.9	Confident	90.9	Very high	39 Å²	39	37.2 Å²	37.2	21%	0.209	19%	0.19	C	C	.	.	H	α-helix	trans	-64.8	-40.4	177	-75.6	-25.1	0	0	0	110.4	Q64 R159 E160 L165 G166 W171	Q64-D163 PolarHBondContact NE2-O 2.85Å; R159-D163 IonicContact NE-OD1 3.8Å; R159-D163 IonicContact NE-OD2 2.76Å; R159-D163 PolarHBondContact NE-OD2 3.48Å; R159-D163 WeakPolarHBondContact O-CB 3.46Å; R159-D163 PolarHBondContact O-N 2.96Å; E160-D163 PolarHBondContact O-N 2.92Å; D163-L165 PolarHBondContact O-N 2.71Å; D163-G166 PolarHBondContact O-N 3.34Å; D163-W171 PolarHBondContact OD1-NE1 3.23Å
164	S	87.4	Confident	91	Very high	47 Å²	47	38.1 Å²	38.1	33%	0.329	19%	0.188	S	C	.	.	H	α-helix	trans	-64.6	-21.6	174.8	77.1	0	0	0	0	113.9	E160 Q161 L162 G166	E160-S164 VanDerWaalsContact O-CB 3.3Å; E160-S164 WeakPolarHBondContact O-CB 3.45Å; E160-S164 PolarHBondContact O-N 3.25Å; E160-S164 PolarHBondContact O-OG 2.9Å; Q161-S164 WeakPolarHBondContact CA-OG 3.47Å; Q161-S164 PolarHBondContact O-N 3.4Å; Q161-S164 PolarHBondContact O-OG 2.86Å; L162-S164 VanDerWaalsContact C-N 3.34Å; S164-G166 PolarHBondContact O-N 2.81Å
165	L	89.2	Confident	91.2	Very high	2 Å²	2	40.8 Å²	40.8	1%	0.01	20%	0.202	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.1	3.7	174.5	-68.5	164.2	0	0	0	113	V103 Q161 L162 D163 L167 P618 V622 L627 R631	V103-L165 HydrophobicContact CG1-CD1 4.3Å; V103-L165 HydrophobicContact CG1-CD2 4.11Å; V103-L165 HydrophobicContact CG2-CD1 3.91Å; V103-L165 HydrophobicContact CG2-CD2 4.48Å; Q161-L165 VanDerWaalsContact O-CG 3.27Å; Q161-L165 WeakPolarHBondContact O-CG 3.43Å; Q161-L165 PolarHBondContact O-N 2.9Å; Q161-L165 VanDerWaalsContact O-N 3.1Å; L162-L165 WeakPolarHBondContact O-CB 3.45Å; L162-L165 PolarHBondContact O-N 2.68Å; L162-L165 VanDerWaalsContact O-N 3.16Å; D163-L165 PolarHBondContact O-N 2.71Å; L165-L167 HydrophobicContact CB-CD1 3.77Å; L165-L167 HydrophobicContact CB-CG 3.82Å; L165-L167 HydrophobicContact CD1-CD1 4.09Å; L165-L167 PolarHBondContact O-N 2.94Å; L165-P618 HydrophobicContact CD1-CB 4.4Å; L165-P618 HydrophobicContact CD2-CB 4.21Å; L165-V622 HydrophobicContact CD2-CG2 3.78Å; L165-L627 HydrophobicContact CB-CD1 4.3Å; L165-L627 HydrophobicContact CD2-CD1 4.07Å; L165-L627 VanDerWaalsContact O-CD1 3.3Å; L165-L627 WeakPolarHBondContact O-CD1 3.37Å; L165-L627 WeakPolarHBondContact O-CD2 3.11Å; L165-R631 PolarHBondContact O-NH1 2.76Å; L165-R631 VanDerWaalsContact O-NH1 3.15Å
166	G	88.5	Confident	91.2	Very high	13 Å²	13	40.7 Å²	40.7	13%	0.134	20%	0.202	C	C	.	.	T	Hydrogen-bonded Turn	trans	56.8	26.1	-179.3	0	0	0	0	0	113.2	D163 S164 R631	D163-G166 PolarHBondContact O-N 3.34Å; S164-G166 PolarHBondContact O-N 2.81Å; G166-R631 PolarHBondContact O-NH1 2.81Å
167	L	91.1	Very high	91.3	Very high	0 Å²	0	35 Å²	35	0%	0	18%	0.176	C	C	.	.			trans	-80.2	132	177.6	-63.2	167.4	0	0	0	108.6	D110 L162 L165 F169	D110-L167 HydrophobicContact CB-CD2 3.81Å; L162-L167 HydrophobicContact CD2-CD1 3.82Å; L165-L167 HydrophobicContact CB-CD1 3.77Å; L165-L167 HydrophobicContact CB-CG 3.82Å; L165-L167 HydrophobicContact CD1-CD1 4.09Å; L165-L167 PolarHBondContact O-N 2.94Å; L167-F169 HydrophobicContact CB-CD2 4.18Å; L167-F169 HydrophobicContact CB-CE2 3.59Å; L167-F169 HydrophobicContact CB-CZ 4.21Å; L167-F169 HydrophobicContact CD1-CE2 4.2Å
168	C	91.8	Very high	91.3	Very high	6 Å²	6	34.2 Å²	34.2	4%	0.041	17%	0.171	C	C	.	.			trans	-101.2	103.6	-174.5	-65.9	0	0	0	0	110.7	W71 D110 N125	W71-C168 VanDerWaalsContact CD1-SG 3.56Å; W71-C168 HydrophobicContact CD2-CB 3.45Å; W71-C168 VanDerWaalsContact CD2-CB 3.45Å; W71-C168 HydrophobicContact CE3-CB 3.87Å; W71-C168 HydrophobicContact CG-CB 3.81Å; W71-C168 HydrophobicContact CH2-CB 3.92Å; W71-C168 HydrophobicContact CZ2-CB 3.55Å; W71-C168 HydrophobicContact CZ3-CB 4.08Å; W71-C168 WeakPolarHBondContact CZ3-O 3.29Å; W71-C168 PolarHBondContact NE1-SG 2.96Å; D110-C168 WeakPolarHBondContact OD1-CA 3.33Å; D110-C168 WeakPolarHBondContact OD1-CB 3.32Å; D110-C168 PolarHBondContact OD1-N 3.38Å; N125-C168 PolarHBondContact ND2-O 3.44Å
169	F	92.8	Very high	91.1	Very high	12 Å²	12	37 Å²	37	5%	0.053	19%	0.185	C	C	.	.			trans	-111.2	154.1	174.6	-61.8	-71.1	0	0	0	112.3	Y106 N125 M127 L162 L167 W171	Y106-F169 HydrophobicContact CD1-CZ 4.3Å; Y106-F169 HydrophobicContact CG-CZ 4.18Å; N125-F169 WeakPolarHBondContact ND2-CD1 3.21Å; N125-F169 CarbonylContact O-C 3.57Å; N125-F169 VanDerWaalsContact O-CA 3.25Å; N125-F169 WeakPolarHBondContact O-CA 3.12Å; N125-F169 WeakPolarHBondContact O-CD1 3.38Å; M127-F169 HydrophobicContact CB-CB 4.02Å; M127-F169 HydrophobicContact CB-CD1 3.82Å; M127-F169 HydrophobicContact CB-CD2 4.19Å; M127-F169 HydrophobicContact CB-CE1 4.31Å; M127-F169 HydrophobicContact CB-CG 3.75Å; M127-F169 HydrophobicContact CE-CD1 4.08Å; M127-F169 HydrophobicContact CE-CE1 3.43Å; M127-F169 VanDerWaalsContact CE-CE1 3.43Å; M127-F169 HydrophobicContact CE-CE2 4.27Å; M127-F169 HydrophobicContact CE-CZ 3.54Å; L162-F169 HydrophobicContact CD1-CE2 4.45Å; L162-F169 HydrophobicContact CD2-CE2 4.4Å; L167-F169 HydrophobicContact CB-CD2 4.18Å; L167-F169 HydrophobicContact CB-CE2 3.59Å; L167-F169 HydrophobicContact CB-CZ 4.21Å; L167-F169 HydrophobicContact CD1-CE2 4.2Å; F169-W171 HydrophobicContact CB-CD2 3.84Å; F169-W171 HydrophobicContact CB-CE3 4.31Å; F169-W171 HydrophobicContact CB-CG 4.27Å; F169-W171 HydrophobicContact CB-CZ2 4.17Å; F169-W171 AromaticContact CD2-CE2 3.95Å; F169-W171 HydrophobicContact CD2-CH2 4.1Å; F169-W171 AromaticContact CD2-CZ2 3.57Å; F169-W171 HydrophobicContact CD2-CZ2 3.57Å; F169-W171 HydrophobicContact CE2-CZ2 4.41Å; F169-W171 HydrophobicContact CG-CZ2 4.26Å; F169-W171 PolarHBondContact O-N 3.05Å
170	N	91.4	Very high	90.9	Very high	8 Å²	8	37.3 Å²	37.3	4%	0.043	19%	0.194	C	C	.	.			trans	-75.6	72.2	168.1	-66.9	105.4	0	0	0	110.3	A75 L124 N125 D172 R173	A75-N170 WeakPolarHBondContact CB-ND2 3.28Å; L124-N170 HydrophobicContact CD1-CB 4.06Å; N125-N170 PolarHBondContact N-OD1 3.42Å; N125-N170 PolarHBondContact O-N 3.11Å; N125-N170 PolarHBondContact O-OD1 2.98Å; N170-D172 VanDerWaalsContact C-OD1 3.28Å; N170-D172 WeakPolarHBondContact CA-OD1 3.41Å; N170-D172 PolarHBondContact O-N 3.03Å; N170-R173 WeakPolarHBondContact O-CB 3.48Å; N170-R173 PolarHBondContact O-N 3.04Å
171	W	90.3	Very high	90.8	Very high	27 Å²	27	36.1 Å²	36.1	10%	0.102	19%	0.191	C	C	.	.	G	3₁₀ helix	trans	-65.6	-14.9	-178.3	-67.7	132.9	0	0	0	114.2	M127 W129 R159 L162 D163 F169 R173 E174	M127-W171 HydrophobicContact CB-CE3 4.06Å; M127-W171 HydrophobicContact CB-CH2 3.83Å; M127-W171 HydrophobicContact CB-CZ3 3.51Å; M127-W171 HydrophobicContact CG-CH2 3.61Å; M127-W171 HydrophobicContact CG-CZ3 3.61Å; W129-W171 HydrophobicContact CZ2-CH2 4.33Å; W129-W171 HydrophobicContact CZ2-CZ3 4.39Å; R159-W171 VanDerWaalsContact NE-CZ2 3.26Å; R159-W171 VanDerWaalsContact NH2-CD1 3.31Å; L162-W171 HydrophobicContact CB-CH2 4.46Å; L162-W171 HydrophobicContact CB-CZ2 4.12Å; L162-W171 HydrophobicContact CD1-CH2 3.71Å; L162-W171 HydrophobicContact CD1-CZ2 4.18Å; D163-W171 PolarHBondContact OD1-NE1 3.23Å; F169-W171 HydrophobicContact CB-CD2 3.84Å; F169-W171 HydrophobicContact CB-CE3 4.31Å; F169-W171 HydrophobicContact CB-CG 4.27Å; F169-W171 HydrophobicContact CB-CZ2 4.17Å; F169-W171 AromaticContact CD2-CE2 3.95Å; F169-W171 HydrophobicContact CD2-CH2 4.1Å; F169-W171 AromaticContact CD2-CZ2 3.57Å; F169-W171 HydrophobicContact CD2-CZ2 3.57Å; F169-W171 HydrophobicContact CE2-CZ2 4.41Å; F169-W171 HydrophobicContact CG-CZ2 4.26Å; F169-W171 PolarHBondContact O-N 3.05Å; W171-R173 PolarHBondContact O-N 3.45Å; W171-E174 HydrophobicContact CE3-CB 4.39Å; W171-E174 HydrophobicContact CE3-CG 4.5Å; W171-E174 WeakPolarHBondContact O-CB 3.25Å; W171-E174 PolarHBondContact O-N 3.06Å
172	D	87.4	Confident	90.8	Very high	95 Å²	95	40 Å²	40	51%	0.508	21%	0.207	S	C	.	.	G	3₁₀ helix	trans	-63.5	-11.6	166.1	59.4	-63.1	0	0	0	113.3	N170	N170-D172 VanDerWaalsContact C-OD1 3.28Å; N170-D172 WeakPolarHBondContact CA-OD1 3.41Å; N170-D172 PolarHBondContact O-N 3.03Å
173	R	89.9	Confident	90.9	Very high	108 Å²	108	40.3 Å²	40.3	41%	0.408	21%	0.208	S	C	.	.	G	3₁₀ helix	trans	-119.8	22.9	179.5	-58.2	174.4	-178.5	-88.3	-3.6	112	L124 N170 W171 I175	L124-R173 VanDerWaalsContact CD1-CD 3.4Å; N170-R173 WeakPolarHBondContact O-CB 3.48Å; N170-R173 PolarHBondContact O-N 3.04Å; W171-R173 PolarHBondContact O-N 3.45Å; R173-I175 PolarHBondContact O-N 2.91Å
174	E	94.3	Very high	91	Very high	71 Å²	71	41.6 Å²	41.6	33%	0.332	21%	0.211	S	C	.	.			trans	-59.7	133.4	175.1	-178.8	170.1	-150.4	0	0	110.9	M127 W129 R159 W171	M127-E174 WeakPolarHBondContact O-CA 3.42Å; W129-E174 PolarHBondContact NE1-OE1 3.29Å; R159-E174 IonicContact CZ-OE2 2.76Å; R159-E174 IonicContact NH1-OE1 3.53Å; R159-E174 PolarHBondContact NH1-OE1 3.3Å; R159-E174 IonicContact NH1-OE2 2.83Å; R159-E174 PolarHBondContact NH1-OE2 2.75Å; W171-E174 HydrophobicContact CE3-CB 4.39Å; W171-E174 HydrophobicContact CE3-CG 4.5Å; W171-E174 WeakPolarHBondContact O-CB 3.25Å; W171-E174 PolarHBondContact O-N 3.06Å
175	I	94.3	Very high	91.2	Very high	69 Å²	69	42.5 Å²	42.5	35%	0.354	21%	0.208	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	147.4	176.2	58.8	165.5	0	0	0	110.1	F91 G128 W129 R173 Y182	F91-I175 HydrophobicContact CE2-CD1 4.21Å; G128-I175 CarbonylContact C-O 3.5Å; G128-I175 WeakPolarHBondContact CA-O 3.31Å; W129-I175 PolarHBondContact N-O 3.3Å; R173-I175 PolarHBondContact O-N 2.91Å; I175-Y182 HydrophobicContact CB-CD2 4.05Å; I175-Y182 HydrophobicContact CB-CE2 4.16Å; I175-Y182 HydrophobicContact CD1-CD2 4.34Å; I175-Y182 HydrophobicContact CD1-CE2 3.58Å; I175-Y182 HydrophobicContact CG1-CE2 4.42Å; I175-Y182 HydrophobicContact CG2-CD2 4.34Å; I175-Y182 HydrophobicContact CG2-CE2 4.46Å
176	T	94.8	Very high	91.5	Very high	18 Å²	18	45.3 Å²	45.3	11%	0.11	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	114	175.2	-58.6	0	0	0	0	108.4	W129 A131 I155 C178 L179	W129-T176 HydrophobicContact CB-CG2 4.4Å; A131-T176 HydrophobicContact CB-CG2 3.7Å; I155-T176 HydrophobicContact CD1-CG2 3.57Å; T176-C178 PolarHBondContact O-N 3.46Å; T176-C178 VanDerWaalsContact O-N 3.13Å; T176-L179 HydrophobicContact CG2-CD1 4.26Å; T176-L179 HydrophobicContact CG2-CG 3.92Å; T176-L179 PolarHBondContact O-N 2.83Å; T176-L179 VanDerWaalsContact O-N 3.1Å
177	T	95	Very high	91.8	Very high	11 Å²	11	44.8 Å²	44.8	7%	0.067	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.3	-20	-167.3	62	0	0	0	0	114.3	F91 W129 D130 A131 F132 L179 Y182	F91-T177 HydrophobicContact CE2-CG2 3.71Å; F91-T177 HydrophobicContact CZ-CG2 3.87Å; W129-T177 PolarHBondContact O-N 3.38Å; W129-T177 PolarHBondContact O-OG1 2.89Å; D130-T177 PolarHBondContact OD1-OG1 2.93Å; A131-T177 PolarHBondContact N-OG1 3.37Å; F132-T177 VanDerWaalsContact CD2-O 3.23Å; F132-T177 WeakPolarHBondContact CD2-O 3.14Å; F132-T177 WeakPolarHBondContact CE2-O 3.42Å; F132-T177 PolarHBondContact N-OG1 2.76Å; T177-L179 VanDerWaalsContact C-N 3.34Å; T177-Y182 HydrophobicContact CG2-CD1 4.13Å; T177-Y182 HydrophobicContact CG2-CE1 3.64Å
178	C	91.2	Very high	91.9	Very high	13 Å²	13	45.8 Å²	45.8	9%	0.088	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.6	-5.6	177.6	74	0	0	0	0	114.7	A131 F132 T176 Y183 W456	A131-C178 HydrophobicContact CB-CB 3.82Å; A131-C178 VanDerWaalsContact CB-SG 3.56Å; F132-C178 HydrophobicContact CD1-CB 3.58Å; F132-C178 HydrophobicContact CD2-CB 4.16Å; F132-C178 HydrophobicContact CE1-CB 3.61Å; F132-C178 VanDerWaalsContact CE2-CA 3.48Å; F132-C178 HydrophobicContact CE2-CB 4.23Å; F132-C178 HydrophobicContact CG-CB 3.84Å; F132-C178 HydrophobicContact CZ-CB 3.94Å; T176-C178 PolarHBondContact O-N 3.46Å; T176-C178 VanDerWaalsContact O-N 3.13Å; C178-Y183 WeakPolarHBondContact O-CE1 3.44Å; C178-W456 HydrophobicContact CB-CH2 4.33Å; C178-W456 HydrophobicContact CB-CZ2 3.66Å
179	L	90.4	Very high	92	Very high	60 Å²	60	47.3 Å²	47.3	31%	0.314	23%	0.23	S	C	.	.	S	Bend	trans	-85.5	143	-179.1	-63.7	-179	0	0	0	111.9	T176 T177 D181 Y182 Y183	T176-L179 HydrophobicContact CG2-CD1 4.26Å; T176-L179 HydrophobicContact CG2-CG 3.92Å; T176-L179 PolarHBondContact O-N 2.83Å; T176-L179 VanDerWaalsContact O-N 3.1Å; T177-L179 VanDerWaalsContact C-N 3.34Å; L179-D181 VanDerWaalsContact C-N 3.25Å; L179-D181 WeakPolarHBondContact CB-OD1 3.04Å; L179-D181 PolarHBondContact O-N 2.82Å; L179-Y182 WeakPolarHBondContact O-CB 3.37Å; L179-Y182 PolarHBondContact O-N 3.42Å; L179-Y183 VanDerWaalsContact C-CE1 3.46Å; L179-Y183 WeakPolarHBondContact O-CD1 3.33Å; L179-Y183 PolarHBondContact O-N 3.1Å
180	P	88.4	Confident	92.2	Very high	55 Å²	55	47.5 Å²	47.5	36%	0.357	23%	0.231	S	C	.	.	H	α-helix	trans	-59.1	-31.6	-178.4	-21.2	29.5	0	0	0	114.9	Y182 Y183 K184 P479	P180-Y182 PolarHBondContact O-N 3.03Å; P180-Y183 VanDerWaalsContact CA-CZ 3.46Å; P180-Y183 HydrophobicContact CB-CE1 4Å; P180-Y183 HydrophobicContact CB-CE2 4.39Å; P180-Y183 HydrophobicContact CG-CE1 3.93Å; P180-Y183 WeakPolarHBondContact CG-OH 3.46Å; P180-Y183 VanDerWaalsContact N-CE1 3.3Å; P180-K184 VanDerWaalsContact O-CB 3.28Å; P180-K184 WeakPolarHBondContact O-CB 3.25Å; P180-K184 WeakPolarHBondContact O-CG 3.47Å; P180-K184 PolarHBondContact O-N 2.93Å; P180-P479 HydrophobicContact CB-CG 3.91Å
181	D	88.4	Confident	92.3	Very high	104 Å²	104	47.2 Å²	47.2	56%	0.556	23%	0.23	S	C	*	.	H	α-helix	trans	-67.8	-21.8	176.9	61.2	-11.4	0	0	0	113.2	L179 K184	L179-D181 VanDerWaalsContact C-N 3.25Å; L179-D181 WeakPolarHBondContact CB-OD1 3.04Å; L179-D181 PolarHBondContact O-N 2.82Å; D181-K184 WeakPolarHBondContact O-CE 3.39Å
182	Y	91.4	Very high	92.5	Very high	83 Å²	83	47.5 Å²	47.5	33%	0.325	23%	0.232	S	C	.	.	H	α-helix	trans	-89.5	-60.9	170.4	-172	-87.2	0	0	0	112	I175 T177 L179 P180 K184 W185	I175-Y182 HydrophobicContact CB-CD2 4.05Å; I175-Y182 HydrophobicContact CB-CE2 4.16Å; I175-Y182 HydrophobicContact CD1-CD2 4.34Å; I175-Y182 HydrophobicContact CD1-CE2 3.58Å; I175-Y182 HydrophobicContact CG1-CE2 4.42Å; I175-Y182 HydrophobicContact CG2-CD2 4.34Å; I175-Y182 HydrophobicContact CG2-CE2 4.46Å; T177-Y182 HydrophobicContact CG2-CD1 4.13Å; T177-Y182 HydrophobicContact CG2-CE1 3.64Å; L179-Y182 WeakPolarHBondContact O-CB 3.37Å; L179-Y182 PolarHBondContact O-N 3.42Å; P180-Y182 PolarHBondContact O-N 3.03Å; Y182-K184 PolarHBondContact O-N 2.9Å; Y182-K184 VanDerWaalsContact O-N 3.15Å; Y182-W185 WeakPolarHBondContact O-CB 3.38Å; Y182-W185 PolarHBondContact O-N 3.31Å
183	Y	92.2	Very high	93	Very high	6 Å²	6	43.2 Å²	43.2	2%	0.024	21%	0.209	C	C	.	.	H	α-helix	trans	-71.1	-14.3	-168.3	69.6	-112.8	0	0	0	114.1	F132 C178 L179 P180 W185 T186 Q187 T458 P479 T481	F132-Y183 AromaticContact CE2-CD1 3.42Å; F132-Y183 HydrophobicContact CE2-CD1 3.42Å; F132-Y183 VanDerWaalsContact CE2-CD1 3.42Å; F132-Y183 HydrophobicContact CE2-CE1 4.11Å; F132-Y183 AromaticContact CE2-CG 3.9Å; F132-Y183 HydrophobicContact CE2-CG 3.9Å; F132-Y183 AromaticContact CZ-CD1 3.71Å; F132-Y183 HydrophobicContact CZ-CD1 3.71Å; F132-Y183 AromaticContact CZ-CE1 3.9Å; F132-Y183 HydrophobicContact CZ-CE1 3.9Å; F132-Y183 HydrophobicContact CZ-CG 4.48Å; C178-Y183 WeakPolarHBondContact O-CE1 3.44Å; L179-Y183 VanDerWaalsContact C-CE1 3.46Å; L179-Y183 WeakPolarHBondContact O-CD1 3.33Å; L179-Y183 PolarHBondContact O-N 3.1Å; P180-Y183 VanDerWaalsContact CA-CZ 3.46Å; P180-Y183 HydrophobicContact CB-CE1 4Å; P180-Y183 HydrophobicContact CB-CE2 4.39Å; P180-Y183 HydrophobicContact CG-CE1 3.93Å; P180-Y183 WeakPolarHBondContact CG-OH 3.46Å; P180-Y183 VanDerWaalsContact N-CE1 3.3Å; Y183-W185 PolarHBondContact O-N 2.91Å; Y183-T186 WeakPolarHBondContact O-CB 3.35Å; Y183-T186 PolarHBondContact O-N 3.18Å; Y183-T186 VanDerWaalsContact O-N 3.08Å; Y183-Q187 WeakPolarHBondContact O-CG 3.34Å; Y183-Q187 PolarHBondContact O-N 3.23Å; Y183-T458 HydrophobicContact CD2-CG2 4.1Å; Y183-T458 HydrophobicContact CG-CG2 4.29Å; Y183-P479 HydrophobicContact CD2-CB 4.34Å; Y183-P479 HydrophobicContact CE2-CB 3.78Å; Y183-T481 WeakPolarHBondContact OH-CA 3.24Å
184	K	91.9	Very high	93.2	Very high	65 Å²	65	40.7 Å²	40.7	28%	0.283	20%	0.201	S	C	.	.	H	α-helix	trans	-53.2	-33.7	166.5	71.7	-176.6	-172.9	174.8	0	111.7	P180 D181 Y182 Q187 Y188 P479	P180-K184 VanDerWaalsContact O-CB 3.28Å; P180-K184 WeakPolarHBondContact O-CB 3.25Å; P180-K184 WeakPolarHBondContact O-CG 3.47Å; P180-K184 PolarHBondContact O-N 2.93Å; D181-K184 WeakPolarHBondContact O-CE 3.39Å; Y182-K184 PolarHBondContact O-N 2.9Å; Y182-K184 VanDerWaalsContact O-N 3.15Å; K184-Q187 WeakPolarHBondContact O-CB 3.26Å; K184-Q187 PolarHBondContact O-N 2.82Å; K184-Y188 WeakPolarHBondContact O-CB 3.44Å; K184-Y188 PolarHBondContact O-N 3.27Å; K184-P479 HydrophobicContact CB-CB 3.71Å; K184-P479 HydrophobicContact CB-CG 4.11Å
185	W	91.6	Very high	93.2	Very high	67 Å²	67	43 Å²	43	25%	0.254	21%	0.211	S	C	.	.	H	α-helix	trans	-80.5	-28.9	179.4	-59.1	126.7	0	0	0	112.7	Y182 Y183 Q187 Y188 L189 R509 P510	Y182-W185 WeakPolarHBondContact O-CB 3.38Å; Y182-W185 PolarHBondContact O-N 3.31Å; Y183-W185 PolarHBondContact O-N 2.91Å; W185-Q187 VanDerWaalsContact C-N 3.33Å; W185-Y188 HydrophobicContact CE3-CG 4.29Å; W185-Y188 PolarHBondContact O-N 2.76Å; W185-L189 WeakPolarHBondContact O-CG 3.43Å; W185-L189 PolarHBondContact O-N 3.22Å; W185-R509 WeakPolarHBondContact CH2-O 3.28Å; W185-R509 WeakPolarHBondContact CZ2-O 3.5Å; W185-P510 HydrophobicContact CB-CB 4.22Å; W185-P510 VanDerWaalsContact CD2-CA 3.46Å; W185-P510 HydrophobicContact CD2-CB 3.78Å; W185-P510 HydrophobicContact CE3-CB 3.56Å; W185-P510 HydrophobicContact CG-CB 4.12Å; W185-P510 VanDerWaalsContact CZ3-CA 3.43Å; W185-P510 HydrophobicContact CZ3-CB 4.1Å
186	T	94.5	Very high	93.2	Very high	61 Å²	61	41.9 Å²	41.9	37%	0.374	21%	0.213	S	C	.	.	H	α-helix	trans	-63.4	-42.2	166.9	-52.5	0	0	0	0	110.6	Y183 L189 F190 T458	Y183-T186 WeakPolarHBondContact O-CB 3.35Å; Y183-T186 PolarHBondContact O-N 3.18Å; Y183-T186 VanDerWaalsContact O-N 3.08Å; T186-L189 PolarHBondContact O-N 3.12Å; T186-F190 PolarHBondContact O-N 2.98Å; T186-T458 HydrophobicContact CG2-CG2 4.19Å
187	Q	93.9	Very high	93.1	Very high	1 Å²	1	42.8 Å²	42.8	1%	0.005	23%	0.225	C	C	.	.	H	α-helix	trans	-63.4	-46.3	174	-69.9	173.3	-19.4	0	0	111.7	Y183 K184 W185 L189 F190 I191 T458 P459 P461 L478 V480	Y183-Q187 WeakPolarHBondContact O-CG 3.34Å; Y183-Q187 PolarHBondContact O-N 3.23Å; K184-Q187 WeakPolarHBondContact O-CB 3.26Å; K184-Q187 PolarHBondContact O-N 2.82Å; W185-Q187 VanDerWaalsContact C-N 3.33Å; Q187-L189 VanDerWaalsContact C-N 3.34Å; Q187-L189 PolarHBondContact O-N 3.43Å; Q187-F190 WeakPolarHBondContact O-CB 3.4Å; Q187-F190 PolarHBondContact O-N 2.95Å; Q187-F190 VanDerWaalsContact O-N 3.15Å; Q187-I191 WeakPolarHBondContact O-CG1 3.45Å; Q187-I191 PolarHBondContact O-N 3.33Å; Q187-T458 HydrophobicContact CG-CG2 3.65Å; Q187-P459 WeakPolarHBondContact CG-O 3.3Å; Q187-P459 PolarHBondContact NE2-O 3.09Å; Q187-P461 HydrophobicContact CB-CB 4.13Å; Q187-P461 HydrophobicContact CB-CG 3.87Å; Q187-P461 HydrophobicContact CG-CB 4.33Å; Q187-P461 HydrophobicContact CG-CG 4.22Å; Q187-L478 HydrophobicContact CB-CD1 4.14Å; Q187-L478 HydrophobicContact CB-CD2 3.87Å; Q187-V480 PolarHBondContact NE2-O 2.67Å
188	Y	93.3	Very high	93.2	Very high	21 Å²	21	42.7 Å²	42.7	8%	0.082	23%	0.225	C	C	.	.	H	α-helix	trans	-55	-47.8	173.6	173.6	-87.2	0	0	0	112	K184 W185 F190 I191 K192 E475 P510	K184-Y188 WeakPolarHBondContact O-CB 3.44Å; K184-Y188 PolarHBondContact O-N 3.27Å; W185-Y188 HydrophobicContact CE3-CG 4.29Å; W185-Y188 PolarHBondContact O-N 2.76Å; Y188-F190 VanDerWaalsContact C-N 3.31Å; Y188-F190 PolarHBondContact O-N 3.41Å; Y188-I191 WeakPolarHBondContact O-CB 3.34Å; Y188-I191 PolarHBondContact O-N 3.21Å; Y188-I191 VanDerWaalsContact O-N 3.16Å; Y188-K192 HydrophobicContact CD1-CG 4.26Å; Y188-K192 HydrophobicContact CE1-CG 3.76Å; Y188-K192 PolarHBondContact O-N 3.21Å; Y188-K192 WeakPolarHBondContact OH-CE 3.41Å; Y188-E475 HydrophobicContact CD2-CG 4.19Å; Y188-E475 HydrophobicContact CE2-CG 4.33Å; Y188-E475 WeakPolarHBondContact CE2-OE2 3.47Å; Y188-P510 HydrophobicContact CD1-CB 4.28Å; Y188-P510 HydrophobicContact CD1-CG 4Å; Y188-P510 HydrophobicContact CE1-CG 3.75Å
189	L	94.9	Very high	93.4	Very high	38 Å²	38	42.2 Å²	42.2	20%	0.199	22%	0.222	C	C	.	.	H	α-helix	trans	-63.1	-37.4	177.8	-76.3	174.5	0	0	0	112.3	W185 T186 Q187 K192 L193 L551	W185-L189 WeakPolarHBondContact O-CG 3.43Å; W185-L189 PolarHBondContact O-N 3.22Å; T186-L189 PolarHBondContact O-N 3.12Å; Q187-L189 VanDerWaalsContact C-N 3.34Å; Q187-L189 PolarHBondContact O-N 3.43Å; L189-K192 PolarHBondContact O-N 3.01Å; L189-L193 WeakPolarHBondContact O-CG 3.42Å; L189-L193 PolarHBondContact O-N 3.19Å; L189-L551 HydrophobicContact CD2-CD1 4.22Å
190	F	96.2	Very high	93.6	Very high	16 Å²	16	41.6 Å²	41.6	7%	0.07	22%	0.216	C	C	.	.	H	α-helix	trans	-60.8	-44.9	172.9	177.7	-81.6	0	0	0	111.4	T186 Q187 Y188 K192 L193 F194 A199 W242 I450 I460 P461 V462	T186-F190 PolarHBondContact O-N 2.98Å; Q187-F190 WeakPolarHBondContact O-CB 3.4Å; Q187-F190 PolarHBondContact O-N 2.95Å; Q187-F190 VanDerWaalsContact O-N 3.15Å; Y188-F190 VanDerWaalsContact C-N 3.31Å; Y188-F190 PolarHBondContact O-N 3.41Å; F190-K192 VanDerWaalsContact C-N 3.31Å; F190-K192 PolarHBondContact O-N 3.22Å; F190-L193 WeakPolarHBondContact O-CB 3.23Å; F190-L193 PolarHBondContact O-N 2.84Å; F190-F194 HydrophobicContact CE1-CB 4.27Å; F190-F194 WeakPolarHBondContact O-CB 3.38Å; F190-F194 PolarHBondContact O-N 3.44Å; F190-A199 HydrophobicContact CD2-CB 4.37Å; F190-A199 HydrophobicContact CE2-CB 3.92Å; F190-A199 HydrophobicContact CZ-CB 4.06Å; F190-W242 HydrophobicContact CE2-CD2 4.45Å; F190-W242 HydrophobicContact CE2-CE3 4.17Å; F190-W242 HydrophobicContact CZ-CD2 4Å; F190-W242 AromaticContact CZ-CE3 3.64Å; F190-W242 HydrophobicContact CZ-CE3 3.64Å; F190-W242 HydrophobicContact CZ-CH2 4.31Å; F190-W242 AromaticContact CZ-CZ3 3.8Å; F190-W242 HydrophobicContact CZ-CZ3 3.8Å; F190-I450 HydrophobicContact CD2-CD1 3.77Å; F190-I450 HydrophobicContact CE2-CD1 3.6Å; F190-I460 HydrophobicContact CD1-CG2 4.34Å; F190-I460 HydrophobicContact CE1-CG2 3.76Å; F190-I460 HydrophobicContact CE2-CG2 3.9Å; F190-I460 HydrophobicContact CZ-CG2 3.5Å; F190-P461 HydrophobicContact CB-CG 4.37Å; F190-P461 HydrophobicContact CD1-CG 3.73Å; F190-P461 HydrophobicContact CE1-CG 4.49Å; F190-P461 HydrophobicContact CG-CG 4.36Å; F190-V462 HydrophobicContact CE1-CG2 3.55Å; F190-V462 HydrophobicContact CZ-CG2 4.11Å
191	I	94.3	Very high	93.8	Very high	2 Å²	2	42.6 Å²	42.6	1%	0.01	22%	0.215	C	C	.	.	H	α-helix	trans	-58.8	-45.1	176.4	-66.8	169.6	0	0	0	110.1	Q187 Y188 L193 F194 E195 P461 A472 V473 L478	Q187-I191 WeakPolarHBondContact O-CG1 3.45Å; Q187-I191 PolarHBondContact O-N 3.33Å; Y188-I191 WeakPolarHBondContact O-CB 3.34Å; Y188-I191 PolarHBondContact O-N 3.21Å; Y188-I191 VanDerWaalsContact O-N 3.16Å; I191-L193 VanDerWaalsContact C-N 3.32Å; I191-L193 PolarHBondContact O-N 2.78Å; I191-F194 WeakPolarHBondContact O-CA 3.03Å; I191-F194 WeakPolarHBondContact O-CB 3.36Å; I191-F194 PolarHBondContact O-N 3Å; I191-E195 HydrophobicContact CG2-CG 4.14Å; I191-E195 WeakPolarHBondContact O-CB 3.36Å; I191-E195 WeakPolarHBondContact O-CG 3.41Å; I191-E195 PolarHBondContact O-N 3.08Å; I191-P461 HydrophobicContact CD1-CB 4.34Å; I191-P461 HydrophobicContact CD1-CG 4.24Å; I191-P461 HydrophobicContact CG1-CB 4.38Å; I191-P461 HydrophobicContact CG1-CG 3.82Å; I191-A472 HydrophobicContact CG1-CB 4.29Å; I191-A472 HydrophobicContact CG2-CB 4.31Å; I191-V473 WeakPolarHBondContact CD1-O 3.39Å; I191-L478 HydrophobicContact CD1-CD1 3.94Å; I191-L478 HydrophobicContact CD1-CD2 4.21Å; I191-L478 HydrophobicContact CD1-CG 4.36Å
192	K	94.8	Very high	93.7	Very high	33 Å²	33	41 Å²	41	14%	0.143	20%	0.203	C	C	.	.	H	α-helix	trans	-61.8	-38.8	176.5	-62.8	-47	178.6	-172.8	0	113.1	Y188 L189 F190 F194 E195 A196 E475 F545	Y188-K192 HydrophobicContact CD1-CG 4.26Å; Y188-K192 HydrophobicContact CE1-CG 3.76Å; Y188-K192 PolarHBondContact O-N 3.21Å; Y188-K192 WeakPolarHBondContact OH-CE 3.41Å; L189-K192 PolarHBondContact O-N 3.01Å; F190-K192 VanDerWaalsContact C-N 3.31Å; F190-K192 PolarHBondContact O-N 3.22Å; K192-F194 VanDerWaalsContact C-N 3.34Å; K192-E195 VanDerWaalsContact CD-OE2 3.26Å; K192-E195 WeakPolarHBondContact CD-OE2 3.33Å; K192-E195 IonicContact NZ-OE1 2.6Å; K192-E195 IonicContact NZ-OE2 3.73Å; K192-E195 PolarHBondContact NZ-OE2 3.43Å; K192-A196 VanDerWaalsContact O-CB 3.23Å; K192-A196 WeakPolarHBondContact O-CB 3.42Å; K192-A196 PolarHBondContact O-N 2.8Å; K192-E475 WeakPolarHBondContact CE-OE1 3.49Å; K192-E475 IonicContact NZ-OE1 3.5Å; K192-E475 PolarHBondContact NZ-OE1 3.45Å; K192-F545 HydrophobicContact CB-CE1 4.11Å; K192-F545 HydrophobicContact CB-CZ 3.89Å
193	L	97.1	Very high	93.6	Very high	5 Å²	5	38.8 Å²	38.8	3%	0.026	20%	0.196	C	C	.	.	H	α-helix	trans	-65.5	-38.4	173.1	-71.7	163	0	0	0	111.6	L189 F190 I191 A196 G197 L198 A199 I244 F541 F545	L189-L193 WeakPolarHBondContact O-CG 3.42Å; L189-L193 PolarHBondContact O-N 3.19Å; F190-L193 WeakPolarHBondContact O-CB 3.23Å; F190-L193 PolarHBondContact O-N 2.84Å; I191-L193 VanDerWaalsContact C-N 3.32Å; I191-L193 PolarHBondContact O-N 2.78Å; L193-A196 PolarHBondContact O-N 3.24Å; L193-G197 PolarHBondContact O-N 3.38Å; L193-L198 HydrophobicContact CB-CB 4.42Å; L193-L198 HydrophobicContact CD2-CB 4.01Å; L193-L198 HydrophobicContact CD2-CD1 3.9Å; L193-L198 WeakPolarHBondContact O-CA 3.38Å; L193-L198 WeakPolarHBondContact O-CB 3.49Å; L193-L198 PolarHBondContact O-N 3.09Å; L193-A199 HydrophobicContact CB-CB 3.95Å; L193-A199 PolarHBondContact O-N 3.18Å; L193-I244 HydrophobicContact CD1-CD1 3.86Å; L193-I244 HydrophobicContact CD1-CG1 4.46Å; L193-I244 HydrophobicContact CD2-CG2 4.35Å; L193-F541 HydrophobicContact CD2-CE1 4.27Å; L193-F541 HydrophobicContact CD2-CZ 3.92Å; L193-F545 HydrophobicContact CB-CZ 4.47Å; L193-F545 HydrophobicContact CD2-CD1 3.76Å; L193-F545 HydrophobicContact CD2-CD2 3.76Å; L193-F545 HydrophobicContact CD2-CE1 3.7Å; L193-F545 HydrophobicContact CD2-CE2 3.72Å; L193-F545 HydrophobicContact CD2-CG 3.78Å; L193-F545 HydrophobicContact CD2-CZ 3.68Å; L193-F545 HydrophobicContact CG-CD1 4.17Å; L193-F545 HydrophobicContact CG-CE1 3.73Å; L193-F545 HydrophobicContact CG-CE2 4.37Å; L193-F545 HydrophobicContact CG-CZ 3.85Å
194	F	95	Very high	93.2	Very high	55 Å²	55	39.2 Å²	39.2	24%	0.241	20%	0.201	C	C	.	.	H	α-helix	trans	-67.3	-48.2	178.2	-175.6	-105.7	0	0	0	111.7	F190 I191 K192 A196 G197 A199 W242 A472	F190-F194 HydrophobicContact CE1-CB 4.27Å; F190-F194 WeakPolarHBondContact O-CB 3.38Å; F190-F194 PolarHBondContact O-N 3.44Å; I191-F194 WeakPolarHBondContact O-CA 3.03Å; I191-F194 WeakPolarHBondContact O-CB 3.36Å; I191-F194 PolarHBondContact O-N 3Å; K192-F194 VanDerWaalsContact C-N 3.34Å; F194-A196 PolarHBondContact O-N 3.17Å; F194-G197 PolarHBondContact O-N 2.64Å; F194-A199 HydrophobicContact CB-CB 4.12Å; F194-A199 HydrophobicContact CD2-CB 4.48Å; F194-A199 WeakPolarHBondContact CD2-O 3.41Å; F194-W242 HydrophobicContact CD2-CH2 4.1Å; F194-W242 AromaticContact CD2-CZ3 3.79Å; F194-W242 HydrophobicContact CD2-CZ3 3.79Å; F194-W242 AromaticContact CE2-CH2 3.74Å; F194-W242 HydrophobicContact CE2-CH2 3.74Å; F194-W242 AromaticContact CE2-CZ3 3.79Å; F194-W242 HydrophobicContact CE2-CZ3 3.79Å; F194-A472 HydrophobicContact CD1-CB 3.85Å; F194-A472 HydrophobicContact CE1-CB 4.14Å
195	E	93.3	Very high	92.8	Very high	119 Å²	119	39.9 Å²	39.9	56%	0.556	21%	0.21	S	C	*	.	H	α-helix	trans	-59.6	-35.5	174.6	-70.5	176.5	161.3	0	0	112	I191 K192 G197	I191-E195 HydrophobicContact CG2-CG 4.14Å; I191-E195 WeakPolarHBondContact O-CB 3.36Å; I191-E195 WeakPolarHBondContact O-CG 3.41Å; I191-E195 PolarHBondContact O-N 3.08Å; K192-E195 VanDerWaalsContact CD-OE2 3.26Å; K192-E195 WeakPolarHBondContact CD-OE2 3.33Å; K192-E195 IonicContact NZ-OE1 2.6Å; K192-E195 IonicContact NZ-OE2 3.73Å; K192-E195 PolarHBondContact NZ-OE2 3.43Å; E195-G197 PolarHBondContact O-N 2.81Å
196	A	93.9	Very high	92.4	Very high	47 Å²	47	37 Å²	37	39%	0.388	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.3	0.8	174.6	0	0	0	0	0	114	K192 L193 F194 L198 F545	K192-A196 VanDerWaalsContact O-CB 3.23Å; K192-A196 WeakPolarHBondContact O-CB 3.42Å; K192-A196 PolarHBondContact O-N 2.8Å; L193-A196 PolarHBondContact O-N 3.24Å; F194-A196 PolarHBondContact O-N 3.17Å; A196-L198 HydrophobicContact CB-CD1 4.15Å; A196-L198 HydrophobicContact CB-CG 4.22Å; A196-L198 PolarHBondContact O-N 3.4Å; A196-F545 HydrophobicContact CB-CE2 4.06Å
197	G	93.3	Very high	92.1	Very high	36 Å²	36	34.8 Å²	34.8	37%	0.371	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	69.2	16.3	-178.3	0	0	0	0	0	114.6	L193 F194 E195 K245	L193-G197 PolarHBondContact O-N 3.38Å; F194-G197 PolarHBondContact O-N 2.64Å; E195-G197 PolarHBondContact O-N 2.81Å; G197-K245 PolarHBondContact O-NZ 3.1Å
198	L	96.3	Very high	91.7	Very high	9 Å²	9	36.3 Å²	36.3	5%	0.047	19%	0.191	C	C	.	.			trans	-93.1	-33.9	179.6	-64.1	172.8	0	0	0	112.2	L193 A196 I244 K245 N248 Y249 F545	L193-L198 HydrophobicContact CB-CB 4.42Å; L193-L198 HydrophobicContact CD2-CB 4.01Å; L193-L198 HydrophobicContact CD2-CD1 3.9Å; L193-L198 WeakPolarHBondContact O-CA 3.38Å; L193-L198 WeakPolarHBondContact O-CB 3.49Å; L193-L198 PolarHBondContact O-N 3.09Å; A196-L198 HydrophobicContact CB-CD1 4.15Å; A196-L198 HydrophobicContact CB-CG 4.22Å; A196-L198 PolarHBondContact O-N 3.4Å; L198-I244 CarbonylContact O-C 3.59Å; L198-I244 WeakPolarHBondContact O-CA 3.22Å; L198-K245 HydrophobicContact CD2-CB 3.94Å; L198-K245 PolarHBondContact O-N 3.06Å; L198-N248 HydrophobicContact CD2-CB 3.96Å; L198-N248 WeakPolarHBondContact CD2-ND2 3.43Å; L198-Y249 HydrophobicContact CD1-CE2 3.81Å; L198-Y249 HydrophobicContact CD2-CE2 4.34Å; L198-F545 HydrophobicContact CD1-CD2 3.59Å; L198-F545 HydrophobicContact CD1-CE2 3.67Å
199	A	97.1	Very high	91.3	Very high	3 Å²	3	35.3 Å²	35.3	3%	0.025	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	127.7	169.2	0	0	0	0	0	109.7	F190 L193 F194 F243	F190-A199 HydrophobicContact CD2-CB 4.37Å; F190-A199 HydrophobicContact CE2-CB 3.92Å; F190-A199 HydrophobicContact CZ-CB 4.06Å; L193-A199 HydrophobicContact CB-CB 3.95Å; L193-A199 PolarHBondContact O-N 3.18Å; F194-A199 HydrophobicContact CB-CB 4.12Å; F194-A199 HydrophobicContact CD2-CB 4.48Å; F194-A199 WeakPolarHBondContact CD2-O 3.41Å; A199-F243 WeakPolarHBondContact CA-O 3.39Å
200	Y	94.4	Very high	90.8	Very high	48 Å²	48	35.6 Å²	35.6	19%	0.188	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.3	161.3	-177.1	73.1	-76.6	0	0	0	111.6	K202 W242 F243 K245 D447	Y200-K202 HydrophobicContact CD2-CB 4.45Å; Y200-K202 HydrophobicContact CD2-CG 4.48Å; Y200-K202 HydrophobicContact CE2-CB 4.15Å; Y200-K202 HydrophobicContact CE2-CD 3.81Å; Y200-K202 HydrophobicContact CE2-CG 3.82Å; Y200-K202 PolarHBondContact OH-NZ 3.39Å; Y200-W242 VanDerWaalsContact C-CE3 3.47Å; Y200-W242 WeakPolarHBondContact O-CA 3.28Å; Y200-F243 HydrophobicContact CD1-CB 4.1Å; Y200-F243 WeakPolarHBondContact CD1-O 3.35Å; Y200-F243 HydrophobicContact CE1-CB 3.56Å; Y200-F243 HydrophobicContact CE2-CB 4.34Å; Y200-F243 PolarHBondContact N-O 3.13Å; Y200-F243 PolarHBondContact O-N 3.16Å; Y200-K245 HydrophobicContact CD1-CD 4.23Å; Y200-K245 HydrophobicContact CD1-CG 3.61Å; Y200-K245 HydrophobicContact CE1-CD 4.22Å; Y200-K245 HydrophobicContact CE1-CG 3.34Å; Y200-D447 HydrophobicContact CE1-CB 4.47Å; Y200-D447 WeakPolarHBondContact CE1-OD2 3.49Å; Y200-D447 PolarHBondContact OH-OD2 3.43Å
201	Q	91.2	Very high	90.1	Very high	75 Å²	75	39.6 Å²	39.6	35%	0.35	22%	0.217	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	137.3	177.9	-157.5	-180	34.8	0	0	110.1	T240 Q241 W242 H464	Q201-T240 HydrophobicContact CG-CG2 3.47Å; Q201-T240 VanDerWaalsContact CG-CG2 3.47Å; Q201-Q241 WeakPolarHBondContact CA-O 3.22Å; Q201-Q241 WeakPolarHBondContact CG-O 3.32Å; Q201-W242 HydrophobicContact CB-CD2 4.17Å; Q201-W242 HydrophobicContact CB-CE3 4.2Å; Q201-W242 HydrophobicContact CB-CH2 4.33Å; Q201-W242 HydrophobicContact CB-CZ2 4.28Å; Q201-W242 HydrophobicContact CB-CZ3 4.29Å; Q201-W242 HydrophobicContact CG-CD2 4.33Å; Q201-H464 PolarHBondContact OE1-CE1 3.43Å
202	K	88	Confident	89.1	Confident	71 Å²	71	40.2 Å²	40.2	31%	0.309	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.1	153.6	170.7	63.4	167.5	173.6	-168.7	0	111.7	Y200 A204 T240 Q241 F243	Y200-K202 HydrophobicContact CD2-CB 4.45Å; Y200-K202 HydrophobicContact CD2-CG 4.48Å; Y200-K202 HydrophobicContact CE2-CB 4.15Å; Y200-K202 HydrophobicContact CE2-CD 3.81Å; Y200-K202 HydrophobicContact CE2-CG 3.82Å; Y200-K202 PolarHBondContact OH-NZ 3.39Å; K202-A204 HydrophobicContact CG-CB 4.43Å; K202-T240 WeakPolarHBondContact O-CA 3.45Å; K202-Q241 PolarHBondContact N-O 3.02Å; K202-Q241 PolarHBondContact O-N 3.49Å; K202-F243 HydrophobicContact CD-CD2 4.35Å; K202-F243 HydrophobicContact CD-CE2 4.26Å; K202-F243 HydrophobicContact CG-CD2 3.61Å; K202-F243 HydrophobicContact CG-CE2 3.53Å; K202-F243 HydrophobicContact CG-CZ 4.44Å
203	E	88	Confident	88.3	Confident	37 Å²	37	45 Å²	45	17%	0.173	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.9	126.7	159.2	-71.9	-173.3	113.5	0	0	108.6	L238 L239 T240 R320 S325	E203-L238 HydrophobicContact CB-CD1 4.45Å; E203-L239 WeakPolarHBondContact CA-O 3.4Å; E203-T240 WeakPolarHBondContact CG-OG1 3.49Å; E203-R320 WeakPolarHBondContact O-CD 3.24Å; E203-S325 VanDerWaalsContact CD-OG 3.26Å; E203-S325 PolarHBondContact OE1-N 3.42Å; E203-S325 WeakPolarHBondContact OE2-CB 3.2Å; E203-S325 PolarHBondContact OE2-N 3.05Å; E203-S325 PolarHBondContact OE2-OG 3.42Å
204	A	84.1	Confident	87.4	Confident	15 Å²	15	44.7 Å²	44.7	12%	0.124	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143	148.4	176.8	0	0	0	0	0	109.7	K202 V206 L239 F243	K202-A204 HydrophobicContact CG-CB 4.43Å; A204-V206 HydrophobicContact CB-CG1 4.07Å; A204-V206 PolarHBondContact O-N 3.26Å; A204-L239 PolarHBondContact N-O 3.38Å; A204-L239 PolarHBondContact O-N 3.47Å; A204-F243 HydrophobicContact CB-CE2 3.99Å; A204-F243 HydrophobicContact CB-CZ 3.67Å
205	V	83.4	Confident	86.7	Confident	79 Å²	79	42.1 Å²	42.1	48%	0.479	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.7	122.1	163.9	-173.2	0	0	0	0	106.6	Q236 K237 L238	V205-Q236 HydrophobicContact CG1-CB 3.77Å; V205-Q236 HydrophobicContact CG1-CG 4.36Å; V205-K237 CarbonylContact C-O 3.53Å; V205-K237 WeakPolarHBondContact CA-O 3.48Å; V205-L238 HydrophobicContact CG2-CD1 4.05Å
206	V	84.4	Confident	86	Confident	5 Å²	5	36.5 Å²	36.5	3%	0.03	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	146.9	-172.9	-63.3	0	0	0	0	110.8	A204 W208 V215 K237 L239 Q241 L449	A204-V206 HydrophobicContact CB-CG1 4.07Å; A204-V206 PolarHBondContact O-N 3.26Å; V206-W208 PolarHBondContact O-N 3.13Å; V206-V215 HydrophobicContact CB-CG1 4.14Å; V206-V215 HydrophobicContact CG2-CB 4.41Å; V206-V215 HydrophobicContact CG2-CG1 3.5Å; V206-V215 VanDerWaalsContact CG2-CG1 3.5Å; V206-K237 VanDerWaalsContact CG2-O 3.25Å; V206-K237 WeakPolarHBondContact CG2-O 3.46Å; V206-K237 PolarHBondContact N-O 3.34Å; V206-K237 PolarHBondContact O-N 3.48Å; V206-L239 HydrophobicContact CG2-CB 4Å; V206-L239 HydrophobicContact CG2-CD1 3.88Å; V206-L239 HydrophobicContact CG2-CG 4.15Å; V206-Q241 HydrophobicContact CG1-CG 4.1Å; V206-L449 HydrophobicContact CB-CD1 4.12Å; V206-L449 HydrophobicContact CG1-CD1 3.53Å
207	N	86.4	Confident	85.2	Confident	15 Å²	15	34.4 Å²	34.4	8%	0.08	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.1	122.1	170.8	-63	-38.8	0	0	0	109	V215 L216 D218 V221 V234 Q236	N207-V215 CarbonylContact O-C 3.52Å; N207-V215 VanDerWaalsContact O-CA 3.23Å; N207-V215 WeakPolarHBondContact O-CA 3.23Å; N207-L216 HydrophobicContact CB-CB 4.01Å; N207-L216 PolarHBondContact O-N 3.47Å; N207-D218 PolarHBondContact ND2-OD1 3.37Å; N207-V221 HydrophobicContact CB-CG2 3.85Å; N207-V234 HydrophobicContact CB-CG1 3.47Å; N207-V234 VanDerWaalsContact CB-CG1 3.47Å; N207-Q236 PolarHBondContact OD1-NE2 3.31Å
208	W	85.7	Confident	84.4	Confident	33 Å²	33	34.6 Å²	34.6	13%	0.125	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	125.3	179.2	178.6	-94.1	0	0	0	110.5	V206 P210 Q213 T214 V215 E235 K237 L239	V206-W208 PolarHBondContact O-N 3.13Å; W208-P210 WeakPolarHBondContact O-CD 3.32Å; W208-Q213 HydrophobicContact CH2-CB 4.33Å; W208-Q213 WeakPolarHBondContact CH2-O 3.33Å; W208-Q213 HydrophobicContact CZ2-CB 3.84Å; W208-Q213 HydrophobicContact CZ2-CG 4.47Å; W208-T214 VanDerWaalsContact CE3-C 3.44Å; W208-V215 HydrophobicContact CE3-CG1 3.99Å; W208-V215 HydrophobicContact CZ3-CG1 4.32Å; W208-E235 HydrophobicContact CB-CB 4.31Å; W208-E235 WeakPolarHBondContact CB-O 3.4Å; W208-E235 PolarHBondContact N-O 3.12Å; W208-E235 PolarHBondContact O-N 3.11Å; W208-K237 HydrophobicContact CB-CB 4.38Å; W208-K237 HydrophobicContact CB-CD 3.93Å; W208-K237 HydrophobicContact CB-CG 4.03Å; W208-K237 HydrophobicContact CD2-CD 3.91Å; W208-K237 HydrophobicContact CE3-CD 4.48Å; W208-K237 HydrophobicContact CG-CD 3.62Å; W208-K237 HydrophobicContact CG-CG 4.27Å; W208-L239 HydrophobicContact CE3-CD1 4.23Å; W208-L239 HydrophobicContact CZ3-CD1 4.32Å
209	D	84.6	Confident	83.3	Confident	0 Å²	0	35.9 Å²	35.9	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	114.1	169.2	-169.6	-39.6	0	0	0	109.4	V211 D212 Q213 T214 L216 S227 S230	D209-V211 VanDerWaalsContact C-N 3.28Å; D209-V211 PolarHBondContact O-N 3.32Å; D209-V211 WeakPolarHBondContact OD1-CA 3.34Å; D209-V211 WeakPolarHBondContact OD1-CB 3.31Å; D209-V211 PolarHBondContact OD1-N 3.12Å; D209-D212 HydrophobicContact CB-CB 4.05Å; D209-D212 PolarHBondContact OD1-N 3.2Å; D209-Q213 WeakPolarHBondContact O-CA 3.37Å; D209-Q213 PolarHBondContact O-N 2.83Å; D209-T214 PolarHBondContact N-O 2.83Å; D209-T214 PolarHBondContact O-N 3.41Å; D209-L216 HydrophobicContact CB-CD1 3.96Å; D209-L216 HydrophobicContact CB-CD2 4.46Å; D209-L216 HydrophobicContact CB-CG 4.11Å; D209-S227 WeakPolarHBondContact OD2-CB 3.25Å; D209-S227 PolarHBondContact OD2-OG 3.48Å; D209-S230 VanDerWaalsContact CG-OG 3.29Å; D209-S230 PolarHBondContact OD1-OG 3.5Å; D209-S230 WeakPolarHBondContact OD2-CB 3.24Å; D209-S230 PolarHBondContact OD2-OG 3.05Å
210	P	85.2	Confident	82.4	Confident	45 Å²	45	36.9 Å²	36.9	29%	0.292	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72	-20.8	-179.5	29.7	-34.9	0	0	0	113.4	W208 A232 L233	W208-P210 WeakPolarHBondContact O-CD 3.32Å; P210-A232 HydrophobicContact CG-CB 4.18Å; P210-L233 WeakPolarHBondContact CD-O 3.41Å
211	V	80.7	Confident	81.7	Confident	99 Å²	99	36.2 Å²	36.2	60%	0.6	19%	0.19	S	C	*	.	T	Hydrogen-bonded Turn	trans	-85	-52.6	178.6	175.3	0	0	0	0	110.2	D209 Q213 A232	D209-V211 VanDerWaalsContact C-N 3.28Å; D209-V211 PolarHBondContact O-N 3.32Å; D209-V211 WeakPolarHBondContact OD1-CA 3.34Å; D209-V211 WeakPolarHBondContact OD1-CB 3.31Å; D209-V211 PolarHBondContact OD1-N 3.12Å; V211-Q213 PolarHBondContact O-N 2.92Å; V211-A232 HydrophobicContact CB-CB 4.28Å; V211-A232 HydrophobicContact CG2-CB 3.65Å
212	D	73.8	Confident	81.1	Confident	16 Å²	16	35.8 Å²	35.8	9%	0.086	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78	-8.1	178.7	-77.8	-29.1	0	0	0	112.9	N138 D209 T214 R229 R454	N138-D212 PolarHBondContact ND2-OD1 2.89Å; D209-D212 HydrophobicContact CB-CB 4.05Å; D209-D212 PolarHBondContact OD1-N 3.2Å; D212-T214 VanDerWaalsContact C-N 3.31Å; D212-T214 HydrophobicContact CB-CG2 3.9Å; D212-T214 PolarHBondContact O-N 3.35Å; D212-R229 WeakPolarHBondContact OD2-CD 3.29Å; D212-R454 PolarHBondContact O-NH1 2.9Å
213	Q	78.9	Confident	80.5	Confident	132 Å²	132	42.4 Å²	42.4	62%	0.617	22%	0.223	S	C	*	.	T	Hydrogen-bonded Turn	trans	48.6	49.5	-179.3	-61.8	-168.9	-18.3	0	0	113.1	W208 D209 V211	W208-Q213 HydrophobicContact CH2-CB 4.33Å; W208-Q213 WeakPolarHBondContact CH2-O 3.33Å; W208-Q213 HydrophobicContact CZ2-CB 3.84Å; W208-Q213 HydrophobicContact CZ2-CG 4.47Å; D209-Q213 WeakPolarHBondContact O-CA 3.37Å; D209-Q213 PolarHBondContact O-N 2.83Å; V211-Q213 PolarHBondContact O-N 2.92Å
214	T	76.9	Confident	80	Confident	0 Å²	0	44 Å²	44	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.7	156	-179.1	-175	0	0	0	0	111.1	L134 W208 D209 D212 L216	L134-T214 HydrophobicContact CD1-CG2 4.16Å; L134-T214 HydrophobicContact CD2-CG2 4.16Å; W208-T214 VanDerWaalsContact CE3-C 3.44Å; D209-T214 PolarHBondContact N-O 2.83Å; D209-T214 PolarHBondContact O-N 3.41Å; D212-T214 VanDerWaalsContact C-N 3.31Å; D212-T214 HydrophobicContact CB-CG2 3.9Å; D212-T214 PolarHBondContact O-N 3.35Å; T214-L216 HydrophobicContact CG2-CD2 4.4Å
215	V	81.6	Confident	80	Confident	0 Å²	0	44.6 Å²	44.6	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.2	144.5	164.7	-62	0	0	0	0	111.3	V206 N207 W208 L239 L449 S451 R452 Q453	V206-V215 HydrophobicContact CB-CG1 4.14Å; V206-V215 HydrophobicContact CG2-CB 4.41Å; V206-V215 HydrophobicContact CG2-CG1 3.5Å; V206-V215 VanDerWaalsContact CG2-CG1 3.5Å; N207-V215 CarbonylContact O-C 3.52Å; N207-V215 VanDerWaalsContact O-CA 3.23Å; N207-V215 WeakPolarHBondContact O-CA 3.23Å; W208-V215 HydrophobicContact CE3-CG1 3.99Å; W208-V215 HydrophobicContact CZ3-CG1 4.32Å; V215-L239 HydrophobicContact CG1-CD1 3.77Å; V215-L449 HydrophobicContact CB-CD2 4.45Å; V215-L449 HydrophobicContact CG2-CD2 3.71Å; V215-S451 WeakPolarHBondContact CG2-O 3.22Å; V215-R452 VanDerWaalsContact O-CD 3.24Å; V215-R452 WeakPolarHBondContact O-CD 3.28Å; V215-R452 PolarHBondContact O-NE 3.45Å; V215-Q453 VanDerWaalsContact CG1-OE1 3.28Å
216	L	78	Confident	80	Confident	1 Å²	1	46.4 Å²	46.4	1%	0.005	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	139.9	173.4	-64.1	-178.7	0	0	0	108.6	N207 D209 T214 Q220 V221 V234	N207-L216 HydrophobicContact CB-CB 4.01Å; N207-L216 PolarHBondContact O-N 3.47Å; D209-L216 HydrophobicContact CB-CD1 3.96Å; D209-L216 HydrophobicContact CB-CD2 4.46Å; D209-L216 HydrophobicContact CB-CG 4.11Å; T214-L216 HydrophobicContact CG2-CD2 4.4Å; L216-Q220 HydrophobicContact CB-CB 4.05Å; L216-Q220 HydrophobicContact CD2-CB 4.16Å; L216-V221 HydrophobicContact CB-CG2 4.23Å; L216-V221 HydrophobicContact CD1-CG2 4.25Å; L216-V234 HydrophobicContact CD1-CG2 3.94Å
217	A	76.8	Confident	79.8	Confident	3 Å²	3	46.2 Å²	46.2	3%	0.025	24%	0.243	C	C	.	.			trans	-70.7	160.9	162.9	0	0	0	0	0	109	E219 Q220	A217-E219 WeakPolarHBondContact CB-OE2 3.32Å; A217-E219 PolarHBondContact O-N 3.44Å; A217-Q220 HydrophobicContact CB-CG 4.32Å; A217-Q220 WeakPolarHBondContact O-CA 3.11Å; A217-Q220 VanDerWaalsContact O-CB 3.29Å; A217-Q220 WeakPolarHBondContact O-CB 3.12Å; A217-Q220 PolarHBondContact O-N 3.42Å
218	D	76.2	Confident	79.1	Confident	40 Å²	40	51.9 Å²	51.9	21%	0.214	26%	0.263	C	S	.	.	G	3₁₀ helix	trans	-62.1	-31.9	-177.7	-61.7	-67.5	0	0	0	112.7	N207 Q220 V221 R446	N207-D218 PolarHBondContact ND2-OD1 3.37Å; D218-Q220 PolarHBondContact O-N 2.87Å; D218-Q220 VanDerWaalsContact O-N 3.11Å; D218-V221 PolarHBondContact O-N 2.61Å; D218-V221 VanDerWaalsContact O-N 3.1Å; D218-R446 IonicContact OD1-CZ 3.79Å; D218-R446 IonicContact OD1-NH1 2.64Å; D218-R446 PolarHBondContact OD1-NH1 3.29Å; D218-R446 IonicContact OD1-NH2 3.43Å; D218-R446 PolarHBondContact OD1-NH2 3.43Å; D218-R446 IonicContact OD2-CZ 3.6Å; D218-R446 IonicContact OD2-NE 3.13Å; D218-R446 PolarHBondContact OD2-NE 3.41Å; D218-R446 IonicContact OD2-NH1 2.75Å; D218-R446 PolarHBondContact OD2-NH1 2.67Å; D218-R446 IonicContact OD2-NH2 3.06Å; D218-R446 PolarHBondContact OD2-NH2 2.95Å
219	E	74.8	Confident	78.5	Confident	37 Å²	37	53.7 Å²	53.7	17%	0.173	27%	0.27	C	S	.	.	G	3₁₀ helix	trans	-64.1	-14.3	174.2	-56.5	84.6	171.9	0	0	113.3	A217 W273 M534 Y538	A217-E219 WeakPolarHBondContact CB-OE2 3.32Å; A217-E219 PolarHBondContact O-N 3.44Å; E219-W273 HydrophobicContact CG-CH2 3.77Å; E219-W273 HydrophobicContact CG-CZ2 3.41Å; E219-W273 VanDerWaalsContact CG-CZ2 3.41Å; E219-M534 HydrophobicContact CB-CE 3.86Å; E219-M534 HydrophobicContact CB-CG 3.57Å; E219-M534 HydrophobicContact CB-SD 3.74Å; E219-M534 HydrophobicContact CG-CG 3.97Å; E219-Y538 PolarHBondContact OE1-OH 2.77Å; E219-Y538 PolarHBondContact OE2-OH 2.8Å
220	Q	76.9	Confident	78	Confident	23 Å²	23	55.6 Å²	55.6	11%	0.107	28%	0.283	C	S	.	.	G	3₁₀ helix	trans	-100.1	4	-179.3	-58.8	-176.3	-63.2	0	0	112	L216 A217 D218 W228 M534	L216-Q220 HydrophobicContact CB-CB 4.05Å; L216-Q220 HydrophobicContact CD2-CB 4.16Å; A217-Q220 HydrophobicContact CB-CG 4.32Å; A217-Q220 WeakPolarHBondContact O-CA 3.11Å; A217-Q220 VanDerWaalsContact O-CB 3.29Å; A217-Q220 WeakPolarHBondContact O-CB 3.12Å; A217-Q220 PolarHBondContact O-N 3.42Å; D218-Q220 PolarHBondContact O-N 2.87Å; D218-Q220 VanDerWaalsContact O-N 3.11Å; Q220-W228 HydrophobicContact CB-CG 4.38Å; Q220-W228 WeakPolarHBondContact O-CB 3.46Å; Q220-W228 PolarHBondContact O-N 2.96Å; Q220-M534 HydrophobicContact CG-CE 3.86Å
221	V	80.3	Confident	77.8	Confident	34 Å²	34	55 Å²	55	21%	0.206	29%	0.285	C	S	.	.	B	Isolated β-bridge	trans	-111.3	127.6	173.6	-172.5	0	0	0	0	108.3	N207 L216 D218 R226 V234	N207-V221 HydrophobicContact CB-CG2 3.85Å; L216-V221 HydrophobicContact CB-CG2 4.23Å; L216-V221 HydrophobicContact CD1-CG2 4.25Å; D218-V221 PolarHBondContact O-N 2.61Å; D218-V221 VanDerWaalsContact O-N 3.1Å; V221-R226 CarbonylContact C-O 3.58Å; V221-R226 WeakPolarHBondContact CA-O 3.39Å; V221-V234 HydrophobicContact CG1-CB 4.43Å; V221-V234 HydrophobicContact CG1-CG2 3.96Å; V221-V234 HydrophobicContact CG2-CG1 4.34Å; V221-V234 HydrophobicContact CG2-CG2 3.98Å
222	D	78.7	Confident	78.1	Confident	67 Å²	67	51 Å²	51	36%	0.358	26%	0.262	S	S	.	.			trans	-77.7	173.5	177.9	72.1	24.2	0	0	0	112.5	S224 G225 R226	D222-S224 PolarHBondContact O-N 3.06Å; D222-S224 VanDerWaalsContact OD1-CA 3.3Å; D222-S224 WeakPolarHBondContact OD1-CA 3.29Å; D222-S224 WeakPolarHBondContact OD1-CB 3.12Å; D222-S224 PolarHBondContact OD1-N 3.27Å; D222-S224 PolarHBondContact OD1-OG 2.82Å; D222-S224 PolarHBondContact OD2-OG 3.46Å; D222-G225 PolarHBondContact O-N 3.31Å; D222-G225 PolarHBondContact OD1-N 2.87Å; D222-R226 PolarHBondContact N-O 3.03Å; D222-R226 PolarHBondContact OD1-N 2.99Å
223	E	74.6	Confident	78.8	Confident	210 Å²	210	55.5 Å²	55.5	98%	0.981	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.4	-18.5	-179.5	-62.3	176.2	-178.7	0	0	113.6	G225	E223-G225 VanDerWaalsContact C-N 3.34Å
224	S	77.8	Confident	79.4	Confident	70 Å²	70	50.2 Å²	50.2	49%	0.49	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.1	6.6	176.5	75.6	0	0	0	0	113.4	D222 R226	D222-S224 PolarHBondContact O-N 3.06Å; D222-S224 VanDerWaalsContact OD1-CA 3.3Å; D222-S224 WeakPolarHBondContact OD1-CA 3.29Å; D222-S224 WeakPolarHBondContact OD1-CB 3.12Å; D222-S224 PolarHBondContact OD1-N 3.27Å; D222-S224 PolarHBondContact OD1-OG 2.82Å; D222-S224 PolarHBondContact OD2-OG 3.46Å; S224-R226 VanDerWaalsContact C-N 3.32Å; S224-R226 WeakPolarHBondContact OG-CD 3.31Å; S224-R226 WeakPolarHBondContact OG-CG 3.41Å
225	G	83.6	Confident	80.1	Confident	28 Å²	28	54.3 Å²	54.3	29%	0.289	28%	0.282	S	S	.	.	S	Bend	trans	73.5	23.8	-178.2	0	0	0	0	0	113.1	D222 E223 V234	D222-G225 PolarHBondContact O-N 3.31Å; D222-G225 PolarHBondContact OD1-N 2.87Å; E223-G225 VanDerWaalsContact C-N 3.34Å; G225-V234 WeakPolarHBondContact O-CB 3.29Å; G225-V234 WeakPolarHBondContact O-CG2 3.39Å; G225-V234 PolarHBondContact O-N 2.92Å
226	R	84.3	Confident	80.3	Confident	116 Å²	116	59.7 Å²	59.7	44%	0.438	31%	0.307	S	S	.	.	B	Isolated β-bridge	trans	-108.2	150.9	-178.5	-65.7	175.5	178.4	-93.4	-2.7	111.8	V221 D222 S224 W228 G231 A232 L233	V221-R226 CarbonylContact C-O 3.58Å; V221-R226 WeakPolarHBondContact CA-O 3.39Å; D222-R226 PolarHBondContact N-O 3.03Å; D222-R226 PolarHBondContact OD1-N 2.99Å; S224-R226 VanDerWaalsContact C-N 3.32Å; S224-R226 WeakPolarHBondContact OG-CD 3.31Å; S224-R226 WeakPolarHBondContact OG-CG 3.41Å; R226-W228 PolarHBondContact O-N 2.94Å; R226-G231 WeakPolarHBondContact CD-O 3.42Å; R226-G231 PolarHBondContact NH1-O 3.33Å; R226-A232 CarbonylContact C-O 3.28Å; R226-A232 WeakPolarHBondContact CA-O 3.22Å; R226-A232 WeakPolarHBondContact CB-O 3.46Å; R226-L233 HydrophobicContact CG-CD1 4.4Å
227	S	79.1	Confident	80.5	Confident	2 Å²	2	63.1 Å²	63.1	1%	0.014	32%	0.322	C	S	.	.	B	Isolated β-bridge	trans	-59.2	128.6	171.6	172.8	0	0	0	0	110.3	D209 R229 S230 G231 A232	D209-S227 WeakPolarHBondContact OD2-CB 3.25Å; D209-S227 PolarHBondContact OD2-OG 3.48Å; S227-R229 PolarHBondContact O-N 3.32Å; S227-R229 PolarHBondContact OG-N 3.46Å; S227-S230 WeakPolarHBondContact CB-OG 3.23Å; S227-S230 PolarHBondContact OG-N 3.37Å; S227-S230 PolarHBondContact OG-OG 3.44Å; S227-G231 WeakPolarHBondContact O-CA 3.46Å; S227-G231 PolarHBondContact O-N 3.14Å; S227-A232 PolarHBondContact N-O 3.07Å
228	W	72.7	Confident	80.9	Confident	133 Å²	133	66 Å²	66	50%	0.504	34%	0.337	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.3	-16.7	177.7	75.5	-72.2	0	0	0	114.3	Q220 R226	Q220-W228 HydrophobicContact CB-CG 4.38Å; Q220-W228 WeakPolarHBondContact O-CB 3.46Å; Q220-W228 PolarHBondContact O-N 2.96Å; R226-W228 PolarHBondContact O-N 2.94Å
229	R	72.3	Confident	81.3	Confident	71 Å²	71	66.7 Å²	66.7	27%	0.268	34%	0.34	S	S	.	.	T	Hydrogen-bonded Turn	trans	-113.5	-63.1	-175	-178.2	-167.9	-56.6	-128.2	-8.8	112.7	L134 P135 D212 S227 G231	L134-R229 PolarHBondContact O-NH1 3.38Å; L134-R229 VanDerWaalsContact O-NH1 3.16Å; P135-R229 VanDerWaalsContact CA-NH1 3.3Å; D212-R229 WeakPolarHBondContact OD2-CD 3.29Å; S227-R229 PolarHBondContact O-N 3.32Å; S227-R229 PolarHBondContact OG-N 3.46Å; R229-G231 PolarHBondContact O-N 3.13Å
230	S	75.4	Confident	81.9	Confident	41 Å²	41	68.1 Å²	68.1	29%	0.287	35%	0.351	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.7	-20.7	-174.8	71.3	0	0	0	0	111.7	D209 S227 A232	D209-S230 VanDerWaalsContact CG-OG 3.29Å; D209-S230 PolarHBondContact OD1-OG 3.5Å; D209-S230 WeakPolarHBondContact OD2-CB 3.24Å; D209-S230 PolarHBondContact OD2-OG 3.05Å; S227-S230 WeakPolarHBondContact CB-OG 3.23Å; S227-S230 PolarHBondContact OG-N 3.37Å; S227-S230 PolarHBondContact OG-OG 3.44Å; S230-A232 PolarHBondContact O-N 3.31Å; S230-A232 VanDerWaalsContact OG-CB 3.26Å; S230-A232 WeakPolarHBondContact OG-CB 3.47Å; S230-A232 PolarHBondContact OG-N 2.89Å; S230-A232 VanDerWaalsContact OG-N 3.13Å
231	G	80.8	Confident	82.5	Confident	31 Å²	31	67.4 Å²	67.4	32%	0.32	35%	0.348	S	S	.	.			trans	68.5	4.2	-171.2	0	0	0	0	0	113.5	R226 S227 R229	R226-G231 WeakPolarHBondContact CD-O 3.42Å; R226-G231 PolarHBondContact NH1-O 3.33Å; S227-G231 WeakPolarHBondContact O-CA 3.46Å; S227-G231 PolarHBondContact O-N 3.14Å; R229-G231 PolarHBondContact O-N 3.13Å
232	A	85.9	Confident	83	Confident	16 Å²	16	66.5 Å²	66.5	13%	0.132	34%	0.341	C	S	.	.	P	Polyproline II helix	trans	-68.2	148.5	176.9	0	0	0	0	0	110.8	P210 V211 R226 S227 S230 V234	P210-A232 HydrophobicContact CG-CB 4.18Å; V211-A232 HydrophobicContact CB-CB 4.28Å; V211-A232 HydrophobicContact CG2-CB 3.65Å; R226-A232 CarbonylContact C-O 3.28Å; R226-A232 WeakPolarHBondContact CA-O 3.22Å; R226-A232 WeakPolarHBondContact CB-O 3.46Å; S227-A232 PolarHBondContact N-O 3.07Å; S230-A232 PolarHBondContact O-N 3.31Å; S230-A232 VanDerWaalsContact OG-CB 3.26Å; S230-A232 WeakPolarHBondContact OG-CB 3.47Å; S230-A232 PolarHBondContact OG-N 2.89Å; S230-A232 VanDerWaalsContact OG-N 3.13Å; A232-V234 PolarHBondContact O-N 3.03Å
233	L	90.3	Very high	83.8	Confident	110 Å²	110	64 Å²	64	58%	0.576	33%	0.327	S	S	*	.	B	Isolated β-bridge	trans	-67.9	128.5	171.4	-166.8	71.9	0	0	0	108.5	P210 R226	P210-L233 WeakPolarHBondContact CD-O 3.41Å; R226-L233 HydrophobicContact CG-CD1 4.4Å
234	V	90.9	Very high	84.8	Confident	21 Å²	21	54.3 Å²	54.3	13%	0.127	28%	0.282	C	S	.	.	P	Polyproline II helix	trans	-76	134.4	-177.1	172.2	0	0	0	0	110.2	N207 L216 V221 G225 A232	N207-V234 HydrophobicContact CB-CG1 3.47Å; N207-V234 VanDerWaalsContact CB-CG1 3.47Å; L216-V234 HydrophobicContact CD1-CG2 3.94Å; V221-V234 HydrophobicContact CG1-CB 4.43Å; V221-V234 HydrophobicContact CG1-CG2 3.96Å; V221-V234 HydrophobicContact CG2-CG1 4.34Å; V221-V234 HydrophobicContact CG2-CG2 3.98Å; G225-V234 WeakPolarHBondContact O-CB 3.29Å; G225-V234 WeakPolarHBondContact O-CG2 3.39Å; G225-V234 PolarHBondContact O-N 2.92Å; A232-V234 PolarHBondContact O-N 3.03Å
235	E	90.4	Very high	85.7	Confident	86 Å²	86	53.6 Å²	53.6	40%	0.402	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	152.3	173.2	-64	176.3	178.3	0	0	110.6	W208 K237	W208-E235 HydrophobicContact CB-CB 4.31Å; W208-E235 WeakPolarHBondContact CB-O 3.4Å; W208-E235 PolarHBondContact N-O 3.12Å; W208-E235 PolarHBondContact O-N 3.11Å; E235-K237 VanDerWaalsContact OE2-CE 3.25Å; E235-K237 WeakPolarHBondContact OE2-CE 3.34Å; E235-K237 IonicContact OE2-NZ 3.95Å; E235-K237 PolarHBondContact OE2-NZ 3.07Å
236	Q	85.5	Confident	86.3	Confident	114 Å²	114	52.3 Å²	52.3	53%	0.533	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	124	171.7	-64.7	-59.5	-40.6	0	0	109.7	V205 N207	V205-Q236 HydrophobicContact CG1-CB 3.77Å; V205-Q236 HydrophobicContact CG1-CG 4.36Å; N207-Q236 PolarHBondContact OD1-NE2 3.31Å
237	K	84	Confident	86.8	Confident	73 Å²	73	47.1 Å²	47.1	32%	0.317	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	140	176.8	-70.1	-171.8	-179.9	168.4	0	111.2	V205 V206 W208 E235 L239	V205-K237 CarbonylContact C-O 3.53Å; V205-K237 WeakPolarHBondContact CA-O 3.48Å; V206-K237 VanDerWaalsContact CG2-O 3.25Å; V206-K237 WeakPolarHBondContact CG2-O 3.46Å; V206-K237 PolarHBondContact N-O 3.34Å; V206-K237 PolarHBondContact O-N 3.48Å; W208-K237 HydrophobicContact CB-CB 4.38Å; W208-K237 HydrophobicContact CB-CD 3.93Å; W208-K237 HydrophobicContact CB-CG 4.03Å; W208-K237 HydrophobicContact CD2-CD 3.91Å; W208-K237 HydrophobicContact CE3-CD 4.48Å; W208-K237 HydrophobicContact CG-CD 3.62Å; W208-K237 HydrophobicContact CG-CG 4.27Å; E235-K237 VanDerWaalsContact OE2-CE 3.25Å; E235-K237 WeakPolarHBondContact OE2-CE 3.34Å; E235-K237 IonicContact OE2-NZ 3.95Å; E235-K237 PolarHBondContact OE2-NZ 3.07Å; K237-L239 HydrophobicContact CB-CD1 4.48Å; K237-L239 HydrophobicContact CB-CG 4.34Å; K237-L239 PolarHBondContact O-N 3.47Å
238	L	84.3	Confident	87.6	Confident	64 Å²	64	48.6 Å²	48.6	34%	0.335	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	113.8	172.1	-174.3	69.1	0	0	0	109.1	E203 V205 H323	E203-L238 HydrophobicContact CB-CD1 4.45Å; V205-L238 HydrophobicContact CG2-CD1 4.05Å; L238-H323 HydrophobicContact CD2-CB 4.37Å; L238-H323 VanDerWaalsContact CD2-O 3.26Å; L238-H323 WeakPolarHBondContact CD2-O 3.39Å
239	L	84.4	Confident	88.8	Confident	53 Å²	53	43.4 Å²	43.4	28%	0.277	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-137	150.3	179.9	-66.3	175.3	0	0	0	110.9	E203 A204 V206 W208 V215 K237 Q241	E203-L239 WeakPolarHBondContact CA-O 3.4Å; A204-L239 PolarHBondContact N-O 3.38Å; A204-L239 PolarHBondContact O-N 3.47Å; V206-L239 HydrophobicContact CG2-CB 4Å; V206-L239 HydrophobicContact CG2-CD1 3.88Å; V206-L239 HydrophobicContact CG2-CG 4.15Å; W208-L239 HydrophobicContact CE3-CD1 4.23Å; W208-L239 HydrophobicContact CZ3-CD1 4.32Å; V215-L239 HydrophobicContact CG1-CD1 3.77Å; K237-L239 HydrophobicContact CB-CD1 4.48Å; K237-L239 HydrophobicContact CB-CG 4.34Å; K237-L239 PolarHBondContact O-N 3.47Å; L239-Q241 HydrophobicContact CB-CG 4.15Å
240	T	87.6	Confident	90	Very high	68 Å²	68	40 Å²	40	42%	0.417	21%	0.213	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	119.8	167.1	-61.9	0	0	0	0	108.8	Q201 K202 E203	Q201-T240 HydrophobicContact CG-CG2 3.47Å; Q201-T240 VanDerWaalsContact CG-CG2 3.47Å; K202-T240 WeakPolarHBondContact O-CA 3.45Å; E203-T240 WeakPolarHBondContact CG-OG1 3.49Å
241	Q	88.8	Confident	91.1	Very high	8 Å²	8	41.3 Å²	41.3	4%	0.037	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135	160.8	-175.8	-65	-62.2	-58.1	0	0	111.7	Q201 K202 V206 L239 F243 L449 S451	Q201-Q241 WeakPolarHBondContact CA-O 3.22Å; Q201-Q241 WeakPolarHBondContact CG-O 3.32Å; K202-Q241 PolarHBondContact N-O 3.02Å; K202-Q241 PolarHBondContact O-N 3.49Å; V206-Q241 HydrophobicContact CG1-CG 4.1Å; L239-Q241 HydrophobicContact CB-CG 4.15Å; Q241-F243 HydrophobicContact CB-CD2 4.44Å; Q241-F243 HydrophobicContact CB-CE2 3.73Å; Q241-F243 HydrophobicContact CB-CZ 4.2Å; Q241-F243 WeakPolarHBondContact O-CD2 3.37Å; Q241-L449 HydrophobicContact CB-CG 4.37Å; Q241-S451 WeakPolarHBondContact CA-OG 3.34Å; Q241-S451 WeakPolarHBondContact CB-OG 3.43Å; Q241-S451 PolarHBondContact OE1-O 3.2Å; Q241-S451 PolarHBondContact OE1-OG 2.91Å
242	W	92.5	Very high	91.8	Very high	15 Å²	15	41.7 Å²	41.7	6%	0.057	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	133.7	172.9	-74	95.6	0	0	0	111.4	F190 F194 Y200 Q201 I450 S451 I460 V462 A470	F190-W242 HydrophobicContact CE2-CD2 4.45Å; F190-W242 HydrophobicContact CE2-CE3 4.17Å; F190-W242 HydrophobicContact CZ-CD2 4Å; F190-W242 AromaticContact CZ-CE3 3.64Å; F190-W242 HydrophobicContact CZ-CE3 3.64Å; F190-W242 HydrophobicContact CZ-CH2 4.31Å; F190-W242 AromaticContact CZ-CZ3 3.8Å; F190-W242 HydrophobicContact CZ-CZ3 3.8Å; F194-W242 HydrophobicContact CD2-CH2 4.1Å; F194-W242 AromaticContact CD2-CZ3 3.79Å; F194-W242 HydrophobicContact CD2-CZ3 3.79Å; F194-W242 AromaticContact CE2-CH2 3.74Å; F194-W242 HydrophobicContact CE2-CH2 3.74Å; F194-W242 AromaticContact CE2-CZ3 3.79Å; F194-W242 HydrophobicContact CE2-CZ3 3.79Å; Y200-W242 VanDerWaalsContact C-CE3 3.47Å; Y200-W242 WeakPolarHBondContact O-CA 3.28Å; Q201-W242 HydrophobicContact CB-CD2 4.17Å; Q201-W242 HydrophobicContact CB-CE3 4.2Å; Q201-W242 HydrophobicContact CB-CH2 4.33Å; Q201-W242 HydrophobicContact CB-CZ2 4.28Å; Q201-W242 HydrophobicContact CB-CZ3 4.29Å; Q201-W242 HydrophobicContact CG-CD2 4.33Å; W242-I450 HydrophobicContact CB-CD1 4.25Å; W242-I450 HydrophobicContact CB-CG1 3.93Å; W242-I450 WeakPolarHBondContact O-CG1 3.1Å; W242-I450 PolarHBondContact O-N 3.43Å; W242-S451 PolarHBondContact N-OG 2.91Å; W242-I460 HydrophobicContact CB-CD1 4.21Å; W242-I460 HydrophobicContact CG-CD1 3.97Å; W242-V462 HydrophobicContact CH2-CB 4.49Å; W242-V462 HydrophobicContact CH2-CG1 4.17Å; W242-V462 HydrophobicContact CH2-CG2 3.89Å; W242-V462 HydrophobicContact CZ2-CB 4.04Å; W242-V462 HydrophobicContact CZ2-CG1 3.8Å; W242-V462 HydrophobicContact CZ2-CG2 3.85Å; W242-A470 HydrophobicContact CH2-CB 4.16Å; W242-A470 HydrophobicContact CZ2-CB 4.36Å
243	F	94.4	Very high	92.4	Very high	14 Å²	14	41 Å²	41	6%	0.061	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	151	179.3	-66	-95.4	0	0	0	110.6	A199 Y200 K202 A204 Q241 D447 W448 L449	A199-F243 WeakPolarHBondContact CA-O 3.39Å; Y200-F243 HydrophobicContact CD1-CB 4.1Å; Y200-F243 WeakPolarHBondContact CD1-O 3.35Å; Y200-F243 HydrophobicContact CE1-CB 3.56Å; Y200-F243 HydrophobicContact CE2-CB 4.34Å; Y200-F243 PolarHBondContact N-O 3.13Å; Y200-F243 PolarHBondContact O-N 3.16Å; K202-F243 HydrophobicContact CD-CD2 4.35Å; K202-F243 HydrophobicContact CD-CE2 4.26Å; K202-F243 HydrophobicContact CG-CD2 3.61Å; K202-F243 HydrophobicContact CG-CE2 3.53Å; K202-F243 HydrophobicContact CG-CZ 4.44Å; A204-F243 HydrophobicContact CB-CE2 3.99Å; A204-F243 HydrophobicContact CB-CZ 3.67Å; Q241-F243 HydrophobicContact CB-CD2 4.44Å; Q241-F243 HydrophobicContact CB-CE2 3.73Å; Q241-F243 HydrophobicContact CB-CZ 4.2Å; Q241-F243 WeakPolarHBondContact O-CD2 3.37Å; F243-D447 HydrophobicContact CB-CB 4.28Å; F243-D447 HydrophobicContact CD1-CB 4.34Å; F243-W448 CarbonylContact C-O 3.57Å; F243-W448 VanDerWaalsContact CA-O 3.25Å; F243-W448 WeakPolarHBondContact CA-O 3.33Å; F243-L449 HydrophobicContact CD1-CB 3.9Å; F243-L449 HydrophobicContact CD1-CG 4.28Å; F243-L449 HydrophobicContact CE1-CB 3.6Å; F243-L449 HydrophobicContact CE1-CD1 3.93Å; F243-L449 HydrophobicContact CE1-CG 3.72Å; F243-L449 HydrophobicContact CZ-CB 4.32Å; F243-L449 HydrophobicContact CZ-CD1 3.91Å; F243-L449 HydrophobicContact CZ-CG 3.91Å
244	I	97	Very high	92.8	Very high	7 Å²	7	37.1 Å²	37.1	4%	0.036	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	128.9	167.8	-62.4	173.5	0	0	0	108.6	L193 L198 T246 D447 W448 I450 F541	L193-I244 HydrophobicContact CD1-CD1 3.86Å; L193-I244 HydrophobicContact CD1-CG1 4.46Å; L193-I244 HydrophobicContact CD2-CG2 4.35Å; L198-I244 CarbonylContact O-C 3.59Å; L198-I244 WeakPolarHBondContact O-CA 3.22Å; I244-T246 HydrophobicContact CG2-CG2 4.19Å; I244-T246 PolarHBondContact O-N 2.91Å; I244-D447 WeakPolarHBondContact O-CB 3.29Å; I244-W448 HydrophobicContact CB-CB 4.37Å; I244-W448 HydrophobicContact CB-CE3 4.3Å; I244-W448 HydrophobicContact CD1-CD2 4.43Å; I244-W448 HydrophobicContact CD1-CE3 3.62Å; I244-W448 HydrophobicContact CD1-CZ3 3.74Å; I244-W448 HydrophobicContact CG1-CE3 4.46Å; I244-W448 PolarHBondContact N-O 2.99Å; I244-W448 PolarHBondContact O-N 3.25Å; I244-I450 HydrophobicContact CD1-CD1 3.93Å; I244-I450 HydrophobicContact CD1-CG1 4.5Å; I244-I450 HydrophobicContact CD1-CG2 3.71Å; I244-I450 HydrophobicContact CG1-CD1 3.9Å; I244-I450 HydrophobicContact CG1-CG1 4.31Å; I244-I450 HydrophobicContact CG1-CG2 4.11Å; I244-F541 HydrophobicContact CG2-CE1 3.63Å; I244-F541 HydrophobicContact CG2-CE2 4.44Å; I244-F541 HydrophobicContact CG2-CZ 3.42Å; I244-F541 VanDerWaalsContact CG2-CZ 3.42Å
245	K	95.6	Very high	93.1	Very high	54 Å²	54	39.6 Å²	39.6	24%	0.235	20%	0.196	C	C	.	.			trans	-69.9	62.7	177.8	-65.5	-176.8	-176.3	167.8	0	113	G197 L198 Y200 T247 N248 D447	G197-K245 PolarHBondContact O-NZ 3.1Å; L198-K245 HydrophobicContact CD2-CB 3.94Å; L198-K245 PolarHBondContact O-N 3.06Å; Y200-K245 HydrophobicContact CD1-CD 4.23Å; Y200-K245 HydrophobicContact CD1-CG 3.61Å; Y200-K245 HydrophobicContact CE1-CD 4.22Å; Y200-K245 HydrophobicContact CE1-CG 3.34Å; K245-T247 PolarHBondContact O-N 3.23Å; K245-N248 HydrophobicContact CB-CB 4.41Å; K245-N248 WeakPolarHBondContact O-CB 3.38Å; K245-N248 PolarHBondContact O-N 2.95Å; K245-N248 VanDerWaalsContact O-N 3.13Å; K245-D447 VanDerWaalsContact CA-OD1 3.31Å; K245-D447 WeakPolarHBondContact CA-OD1 3.48Å
246	T	95.4	Very high	93.4	Very high	1 Å²	1	35.5 Å²	35.5	1%	0.006	18%	0.177	C	C	.	.	G	3₁₀ helix	trans	-62.6	-26.7	174.3	47.2	0	0	0	0	111.6	I244 N248 Y249 A250 R446 W448 Y537 F541	I244-T246 HydrophobicContact CG2-CG2 4.19Å; I244-T246 PolarHBondContact O-N 2.91Å; T246-N248 PolarHBondContact O-N 2.88Å; T246-Y249 PolarHBondContact O-N 2.74Å; T246-A250 PolarHBondContact O-N 3.21Å; T246-R446 PolarHBondContact OG1-O 2.78Å; T246-W448 HydrophobicContact CG2-CB 3.77Å; T246-W448 HydrophobicContact CG2-CE3 4.41Å; T246-W448 PolarHBondContact OG1-N 2.9Å; T246-Y537 HydrophobicContact CG2-CE1 4.42Å; T246-F541 HydrophobicContact CG2-CD1 4.04Å; T246-F541 HydrophobicContact CG2-CD2 4Å; T246-F541 HydrophobicContact CG2-CE1 4.16Å; T246-F541 HydrophobicContact CG2-CE2 4.1Å; T246-F541 HydrophobicContact CG2-CG 3.97Å; T246-F541 HydrophobicContact CG2-CZ 4.19Å
247	T	95.3	Very high	93.9	Very high	7 Å²	7	30.6 Å²	30.6	4%	0.043	16%	0.155	C	C	.	.	G	3₁₀ helix	trans	-57.9	-30.4	172.6	55.3	0	0	0	0	112.9	K245 Y249 A250 L445 D447	K245-T247 PolarHBondContact O-N 3.23Å; T247-Y249 PolarHBondContact O-N 3.13Å; T247-Y249 VanDerWaalsContact O-N 3.12Å; T247-A250 VanDerWaalsContact O-CB 3.25Å; T247-A250 WeakPolarHBondContact O-CB 3.36Å; T247-A250 PolarHBondContact O-N 3.27Å; T247-A250 VanDerWaalsContact O-N 3.11Å; T247-L445 HydrophobicContact CG2-CB 4.38Å; T247-L445 HydrophobicContact CG2-CD2 4.15Å; T247-L445 HydrophobicContact CG2-CG 4.04Å; T247-L445 WeakPolarHBondContact CG2-O 3.12Å; T247-D447 WeakPolarHBondContact CB-OD1 3.31Å; T247-D447 WeakPolarHBondContact CG2-OD1 3.27Å; T247-D447 PolarHBondContact N-OD1 3.27Å; T247-D447 PolarHBondContact OG1-OD1 3.37Å
248	N	96.7	Very high	94.4	Very high	34 Å²	34	31 Å²	31	18%	0.182	17%	0.172	C	C	.	.	G	3₁₀ helix	trans	-64.1	-19.5	176.1	-75.4	6.2	0	0	0	113.7	L198 K245 T246 H439	L198-N248 HydrophobicContact CD2-CB 3.96Å; L198-N248 WeakPolarHBondContact CD2-ND2 3.43Å; K245-N248 HydrophobicContact CB-CB 4.41Å; K245-N248 WeakPolarHBondContact O-CB 3.38Å; K245-N248 PolarHBondContact O-N 2.95Å; K245-N248 VanDerWaalsContact O-N 3.13Å; T246-N248 PolarHBondContact O-N 2.88Å; N248-H439 HydrophobicContact CB-CB 4.16Å; N248-H439 PolarHBondContact O-ND1 3.08Å; N248-H439 VanDerWaalsContact O-ND1 3.09Å
249	Y	97.6	Very high	94.8	Very high	24 Å²	24	33.2 Å²	33.2	9%	0.094	18%	0.184	C	C	.	.	G	3₁₀ helix	trans	-108.2	3.2	179.7	-79.4	-97.2	0	0	0	113.1	L198 T246 T247 K251 P252 L253 F541 H544 D548	L198-Y249 HydrophobicContact CD1-CE2 3.81Å; L198-Y249 HydrophobicContact CD2-CE2 4.34Å; T246-Y249 PolarHBondContact O-N 2.74Å; T247-Y249 PolarHBondContact O-N 3.13Å; T247-Y249 VanDerWaalsContact O-N 3.12Å; Y249-K251 PolarHBondContact O-N 3.18Å; Y249-P252 WeakPolarHBondContact O-CD 3.19Å; Y249-L253 VanDerWaalsContact O-CB 3.31Å; Y249-L253 WeakPolarHBondContact O-CB 3.48Å; Y249-L253 WeakPolarHBondContact O-CD1 3.29Å; Y249-L253 WeakPolarHBondContact O-CG 3.48Å; Y249-L253 PolarHBondContact O-N 3.08Å; Y249-F541 HydrophobicContact CD2-CD2 4.03Å; Y249-F541 AromaticContact CD2-CE2 3.55Å; Y249-F541 HydrophobicContact CD2-CE2 3.55Å; Y249-F541 HydrophobicContact CE2-CE2 4.11Å; Y249-F541 AromaticContact CG-CD2 3.93Å; Y249-F541 HydrophobicContact CG-CD2 3.93Å; Y249-F541 AromaticContact CG-CE2 3.96Å; Y249-F541 HydrophobicContact CG-CE2 3.96Å; Y249-H544 HydrophobicContact CD1-CB 3.76Å; Y249-H544 HydrophobicContact CE1-CB 3.87Å; Y249-D548 WeakPolarHBondContact CE1-OD2 3.46Å; Y249-D548 PolarHBondContact OH-OD2 3.46Å
250	A	97.4	Very high	95.3	Very high	0 Å²	0	31 Å²	31	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-54.5	-56.6	-174.8	0	0	0	0	0	112.7	T246 T247 L253 L254 I274 T441 L445	T246-A250 PolarHBondContact O-N 3.21Å; T247-A250 VanDerWaalsContact O-CB 3.25Å; T247-A250 WeakPolarHBondContact O-CB 3.36Å; T247-A250 PolarHBondContact O-N 3.27Å; T247-A250 VanDerWaalsContact O-N 3.11Å; A250-L253 PolarHBondContact O-N 2.89Å; A250-L254 WeakPolarHBondContact O-CB 3.03Å; A250-L254 PolarHBondContact O-N 2.81Å; A250-I274 HydrophobicContact CB-CG2 4.2Å; A250-T441 WeakPolarHBondContact CB-OG1 3.34Å; A250-L445 HydrophobicContact CB-CD2 3.53Å
251	K	97.6	Very high	95.5	Very high	68 Å²	68	30.6 Å²	30.6	30%	0.296	17%	0.171	S	C	.	.	H	α-helix	trans	-61.2	-49.5	178.7	179.2	61.4	172	163.3	0	113.1	Y249 L253 L254 D255 C277 L440	Y249-K251 PolarHBondContact O-N 3.18Å; K251-L253 VanDerWaalsContact C-N 3.28Å; K251-L253 PolarHBondContact O-N 3.39Å; K251-L254 PolarHBondContact O-N 3.45Å; K251-D255 WeakPolarHBondContact CD-OD2 3.3Å; K251-D255 VanDerWaalsContact CE-OD1 3.25Å; K251-D255 WeakPolarHBondContact CE-OD1 3.48Å; K251-D255 WeakPolarHBondContact CE-OD2 3.3Å; K251-D255 IonicContact NZ-OD1 3.29Å; K251-D255 PolarHBondContact NZ-OD1 3.32Å; K251-D255 IonicContact NZ-OD2 2.64Å; K251-D255 PolarHBondContact NZ-OD2 2.61Å; K251-D255 WeakPolarHBondContact O-CB 3.44Å; K251-D255 VanDerWaalsContact O-CG 3.3Å; K251-D255 PolarHBondContact O-N 3.27Å; K251-C277 HydrophobicContact CB-CB 3.95Å; K251-C277 HydrophobicContact CD-CB 3.92Å; K251-C277 HydrophobicContact CG-CB 4.48Å; K251-L440 HydrophobicContact CB-CB 3.76Å; K251-L440 WeakPolarHBondContact CB-O 3.5Å; K251-L440 HydrophobicContact CG-CB 4.1Å; K251-L440 HydrophobicContact CG-CD1 4.37Å; K251-L440 PolarHBondContact N-O 3.22Å
252	P	97.1	Very high	95.6	Very high	39 Å²	39	34.1 Å²	34.1	25%	0.253	19%	0.187	S	C	.	.	H	α-helix	trans	-55.2	-38.3	173.3	-28.5	33.4	0	0	0	114.9	Y249 A256 H544 R555	Y249-P252 WeakPolarHBondContact O-CD 3.19Å; P252-A256 VanDerWaalsContact O-CB 3.29Å; P252-A256 WeakPolarHBondContact O-CB 3.31Å; P252-A256 PolarHBondContact O-N 3.35Å; P252-A256 VanDerWaalsContact O-N 3.16Å; P252-H544 PolarHBondContact O-CE1 3.02Å; P252-R555 PolarHBondContact O-NH2 3.29Å
253	L	97.8	Very high	95.7	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-72.6	-38.9	177.9	-73	166.5	0	0	0	111.7	Y249 A250 K251 I274 Y537 R540 F541	Y249-L253 VanDerWaalsContact O-CB 3.31Å; Y249-L253 WeakPolarHBondContact O-CB 3.48Å; Y249-L253 WeakPolarHBondContact O-CD1 3.29Å; Y249-L253 WeakPolarHBondContact O-CG 3.48Å; Y249-L253 PolarHBondContact O-N 3.08Å; A250-L253 PolarHBondContact O-N 2.89Å; K251-L253 VanDerWaalsContact C-N 3.28Å; K251-L253 PolarHBondContact O-N 3.39Å; L253-I274 HydrophobicContact CB-CD1 4.16Å; L253-Y537 HydrophobicContact CD1-CD2 4.47Å; L253-Y537 HydrophobicContact CD1-CE2 3.67Å; L253-R540 HydrophobicContact CD2-CB 3.7Å; L253-R540 PolarHBondContact O-NH1 2.84Å; L253-R540 PolarHBondContact O-NH2 3.14Å; L253-F541 HydrophobicContact CD1-CB 4.08Å
254	L	97.9	Very high	95.5	Very high	30 Å²	30	41.6 Å²	41.6	16%	0.157	22%	0.216	C	C	.	.	H	α-helix	trans	-63.8	-49.9	175.3	-178.1	64	0	0	0	110.8	A250 K251 A256 L257 A271 I274 C277	A250-L254 WeakPolarHBondContact O-CB 3.03Å; A250-L254 PolarHBondContact O-N 2.81Å; K251-L254 PolarHBondContact O-N 3.45Å; L254-A256 VanDerWaalsContact C-N 3.33Å; L254-A256 PolarHBondContact O-N 2.75Å; L254-L257 HydrophobicContact CD1-CD1 4.21Å; L254-L257 VanDerWaalsContact O-CB 3.29Å; L254-L257 WeakPolarHBondContact O-CB 3.44Å; L254-L257 PolarHBondContact O-N 3.13Å; L254-L257 VanDerWaalsContact O-N 3.15Å; L254-A271 HydrophobicContact CD1-CB 3.93Å; L254-I274 HydrophobicContact CB-CD1 4.38Å; L254-I274 HydrophobicContact CB-CG2 4.15Å; L254-C277 HydrophobicContact CD2-CB 4.25Å
255	D	97.3	Very high	95.1	Very high	72 Å²	72	43.6 Å²	43.6	39%	0.385	24%	0.239	S	C	.	.	H	α-helix	trans	-63.2	-40	-177.9	-68.4	-18.7	0	0	0	111.9	K251 L257 A258	K251-D255 WeakPolarHBondContact CD-OD2 3.3Å; K251-D255 VanDerWaalsContact CE-OD1 3.25Å; K251-D255 WeakPolarHBondContact CE-OD1 3.48Å; K251-D255 WeakPolarHBondContact CE-OD2 3.3Å; K251-D255 IonicContact NZ-OD1 3.29Å; K251-D255 PolarHBondContact NZ-OD1 3.32Å; K251-D255 IonicContact NZ-OD2 2.64Å; K251-D255 PolarHBondContact NZ-OD2 2.61Å; K251-D255 WeakPolarHBondContact O-CB 3.44Å; K251-D255 VanDerWaalsContact O-CG 3.3Å; K251-D255 PolarHBondContact O-N 3.27Å; D255-L257 PolarHBondContact O-N 3.22Å; D255-L257 VanDerWaalsContact O-N 3.16Å; D255-A258 WeakPolarHBondContact O-CB 3.48Å; D255-A258 PolarHBondContact O-N 2.92Å
256	A	96.8	Very high	95.1	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-65.4	-16.5	179.4	0	0	0	0	0	113.8	P252 L254 A258 D259 E556	P252-A256 VanDerWaalsContact O-CB 3.29Å; P252-A256 WeakPolarHBondContact O-CB 3.31Å; P252-A256 PolarHBondContact O-N 3.35Å; P252-A256 VanDerWaalsContact O-N 3.16Å; L254-A256 VanDerWaalsContact C-N 3.33Å; L254-A256 PolarHBondContact O-N 2.75Å; A256-A258 PolarHBondContact O-N 2.7Å; A256-D259 PolarHBondContact O-N 2.62Å; A256-D259 VanDerWaalsContact O-N 3.11Å; A256-E556 WeakPolarHBondContact CB-OE1 3.35Å
257	L	96.7	Very high	95.1	Very high	11 Å²	11	43.9 Å²	43.9	6%	0.058	24%	0.241	C	C	.	.	G	3₁₀ helix	trans	-60.4	-29.4	174.3	-68.6	175.2	0	0	0	111.9	L254 D255 D259 L260 K267 Q270 A271 R540	L254-L257 HydrophobicContact CD1-CD1 4.21Å; L254-L257 VanDerWaalsContact O-CB 3.29Å; L254-L257 WeakPolarHBondContact O-CB 3.44Å; L254-L257 PolarHBondContact O-N 3.13Å; L254-L257 VanDerWaalsContact O-N 3.15Å; D255-L257 PolarHBondContact O-N 3.22Å; D255-L257 VanDerWaalsContact O-N 3.16Å; L257-D259 PolarHBondContact O-N 2.99Å; L257-L260 HydrophobicContact CD2-CD1 4.06Å; L257-L260 PolarHBondContact O-N 3.2Å; L257-K267 HydrophobicContact CD2-CG 4.45Å; L257-K267 VanDerWaalsContact O-CD 3.3Å; L257-K267 WeakPolarHBondContact O-CD 3.37Å; L257-K267 WeakPolarHBondContact O-CE 3.39Å; L257-K267 PolarHBondContact O-NZ 2.91Å; L257-Q270 HydrophobicContact CD1-CB 4.12Å; L257-Q270 HydrophobicContact CD2-CB 4.24Å; L257-A271 HydrophobicContact CD1-CB 3.95Å; L257-R540 VanDerWaalsContact CD2-NH1 3.28Å
258	A	95.1	Very high	95	Very high	82 Å²	82	46.9 Å²	46.9	68%	0.678	27%	0.266	S	S	*	.	G	3₁₀ helix	trans	-59.4	-37.1	176.9	0	0	0	0	0	111.6	D255 A256 L260 K267	D255-A258 WeakPolarHBondContact O-CB 3.48Å; D255-A258 PolarHBondContact O-N 2.92Å; A256-A258 PolarHBondContact O-N 2.7Å; A258-L260 PolarHBondContact O-N 2.8Å; A258-K267 PolarHBondContact O-NZ 3.43Å
259	D	92.6	Very high	94.9	Very high	111 Å²	111	47.8 Å²	47.8	59%	0.594	27%	0.27	S	S	*	.	G	3₁₀ helix	trans	-82.5	-10.3	-171.9	-58.2	-33.3	0	0	0	114.1	A256 L257 P261 R555	A256-D259 PolarHBondContact O-N 2.62Å; A256-D259 VanDerWaalsContact O-N 3.11Å; L257-D259 PolarHBondContact O-N 2.99Å; D259-P261 WeakPolarHBondContact O-CD 3.43Å; D259-R555 IonicContact OD2-NH1 2.68Å
260	L	94.1	Very high	94.9	Very high	5 Å²	5	46.6 Å²	46.6	3%	0.026	27%	0.265	C	S	.	.			trans	-85.9	102.6	-173.6	-70.1	174.5	0	0	0	112.9	L257 A258 W263 K267 E556	L257-L260 HydrophobicContact CD2-CD1 4.06Å; L257-L260 PolarHBondContact O-N 3.2Å; A258-L260 PolarHBondContact O-N 2.8Å; L260-W263 HydrophobicContact CB-CB 4.46Å; L260-W263 HydrophobicContact CB-CD2 4.3Å; L260-W263 HydrophobicContact CB-CG 4Å; L260-W263 HydrophobicContact CD1-CD2 3.91Å; L260-W263 HydrophobicContact CD1-CE3 4.02Å; L260-W263 HydrophobicContact CD1-CG 4.46Å; L260-W263 HydrophobicContact CD1-CH2 4.13Å; L260-W263 HydrophobicContact CD1-CZ2 3.99Å; L260-W263 HydrophobicContact CD1-CZ3 4.15Å; L260-W263 HydrophobicContact CD2-CZ2 4.15Å; L260-K267 WeakPolarHBondContact O-CE 3.23Å; L260-K267 PolarHBondContact O-NZ 3.35Å; L260-E556 HydrophobicContact CD2-CB 3.79Å; L260-E556 HydrophobicContact CD2-CG 3.64Å; L260-E556 HydrophobicContact CG-CG 4.36Å
261	P	91.3	Very high	94.8	Very high	61 Å²	61	48.3 Å²	48.3	40%	0.396	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71	144.6	-179.2	31.1	-35.8	0	0	0	111.6	D259 W263 S559	D259-P261 WeakPolarHBondContact O-CD 3.43Å; P261-W263 PolarHBondContact O-N 3.34Å; P261-W263 VanDerWaalsContact O-N 3.15Å; P261-S559 WeakPolarHBondContact CD-O 3.39Å
262	E	92.4	Very high	94.7	Very high	81 Å²	81	50.7 Å²	50.7	38%	0.379	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	63.5	21.4	168.4	-59.2	165.4	-135.2	0	0	115.2	Y264 K560	E262-Y264 VanDerWaalsContact C-N 3.25Å; E262-Y264 HydrophobicContact CB-CD2 4.43Å; E262-Y264 HydrophobicContact CB-CE2 3.76Å; E262-Y264 HydrophobicContact CG-CE2 4.01Å; E262-Y264 WeakPolarHBondContact O-CD2 3.23Å; E262-Y264 PolarHBondContact O-N 3.24Å; E262-Y264 VanDerWaalsContact O-N 3.15Å; E262-K560 VanDerWaalsContact OE1-CE 3.24Å; E262-K560 WeakPolarHBondContact OE1-CE 3.49Å; E262-K560 IonicContact OE1-NZ 3.2Å; E262-K560 PolarHBondContact OE1-NZ 2.61Å; E262-K560 WeakPolarHBondContact OE2-CD 3.41Å; E262-K560 WeakPolarHBondContact OE2-CE 3.34Å; E262-K560 IonicContact OE2-NZ 2.91Å; E262-K560 PolarHBondContact OE2-NZ 2.7Å
263	W	94.8	Very high	94.4	Very high	5 Å²	5	52.6 Å²	52.6	2%	0.019	30%	0.297	C	S	.	.			trans	-85.9	56.9	169.4	-79	52.2	0	0	0	112.1	L260 P261 G265 V266 K267 L536 R540 F558 L561	L260-W263 HydrophobicContact CB-CB 4.46Å; L260-W263 HydrophobicContact CB-CD2 4.3Å; L260-W263 HydrophobicContact CB-CG 4Å; L260-W263 HydrophobicContact CD1-CD2 3.91Å; L260-W263 HydrophobicContact CD1-CE3 4.02Å; L260-W263 HydrophobicContact CD1-CG 4.46Å; L260-W263 HydrophobicContact CD1-CH2 4.13Å; L260-W263 HydrophobicContact CD1-CZ2 3.99Å; L260-W263 HydrophobicContact CD1-CZ3 4.15Å; L260-W263 HydrophobicContact CD2-CZ2 4.15Å; P261-W263 PolarHBondContact O-N 3.34Å; P261-W263 VanDerWaalsContact O-N 3.15Å; W263-G265 PolarHBondContact O-N 3.03Å; W263-V266 HydrophobicContact CE3-CB 4.25Å; W263-V266 HydrophobicContact CE3-CG1 3.75Å; W263-V266 HydrophobicContact CZ3-CG1 4.08Å; W263-V266 PolarHBondContact O-N 3.02Å; W263-K267 HydrophobicContact CB-CG 3.91Å; W263-K267 PolarHBondContact O-N 2.98Å; W263-L536 HydrophobicContact CZ3-CB 4.49Å; W263-R540 HydrophobicContact CH2-CG 4.19Å; W263-F558 AromaticContact CH2-CD2 3.89Å; W263-F558 HydrophobicContact CH2-CD2 3.89Å; W263-F558 HydrophobicContact CZ2-CB 3.88Å; W263-F558 AromaticContact CZ2-CD2 3.84Å; W263-F558 HydrophobicContact CZ2-CD2 3.84Å; W263-F558 HydrophobicContact CZ2-CG 4.36Å; W263-F558 PolarHBondContact NE1-O 2.87Å; W263-L561 HydrophobicContact CD2-CB 3.93Å; W263-L561 HydrophobicContact CD2-CD2 4.02Å; W263-L561 HydrophobicContact CE3-CD2 3.9Å; W263-L561 HydrophobicContact CG-CB 3.9Å; W263-L561 HydrophobicContact CG-CD2 4.45Å; W263-L561 HydrophobicContact CZ3-CD2 4.35Å
264	Y	90.1	Very high	94.3	Very high	181 Å²	181	52.6 Å²	52.6	71%	0.71	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.4	130.4	-173	-57.1	-70	0	0	0	112.3	E262 V266	E262-Y264 VanDerWaalsContact C-N 3.25Å; E262-Y264 HydrophobicContact CB-CD2 4.43Å; E262-Y264 HydrophobicContact CB-CE2 3.76Å; E262-Y264 HydrophobicContact CG-CE2 4.01Å; E262-Y264 WeakPolarHBondContact O-CD2 3.23Å; E262-Y264 PolarHBondContact O-N 3.24Å; E262-Y264 VanDerWaalsContact O-N 3.15Å; Y264-V266 PolarHBondContact O-N 3.32Å
265	G	88.2	Confident	94.2	Very high	50 Å²	50	51.4 Å²	51.4	52%	0.515	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	73.3	-34.4	-177.8	0	0	0	0	0	115.4	W263 M269	W263-G265 PolarHBondContact O-N 3.03Å; G265-M269 VanDerWaalsContact O-CE 3.32Å; G265-M269 WeakPolarHBondContact O-CE 3.25Å; G265-M269 PolarHBondContact O-N 3.04Å
266	V	94.6	Very high	94	Very high	1 Å²	1	55.1 Å²	55.1	1%	0.006	31%	0.307	C	S	.	.	H	α-helix	trans	-70.8	-36.8	-176.5	179.3	0	0	0	0	113.2	W263 Y264 A268 M269 Q270 A532 L536 L561 V563	W263-V266 HydrophobicContact CE3-CB 4.25Å; W263-V266 HydrophobicContact CE3-CG1 3.75Å; W263-V266 HydrophobicContact CZ3-CG1 4.08Å; W263-V266 PolarHBondContact O-N 3.02Å; Y264-V266 PolarHBondContact O-N 3.32Å; V266-A268 VanDerWaalsContact C-N 3.34Å; V266-A268 PolarHBondContact O-N 2.91Å; V266-M269 HydrophobicContact CB-CE 4.45Å; V266-M269 HydrophobicContact CG2-CE 3.96Å; V266-M269 PolarHBondContact O-N 3.36Å; V266-Q270 HydrophobicContact CG1-CG 4.35Å; V266-Q270 PolarHBondContact O-N 3.5Å; V266-A532 HydrophobicContact CG1-CB 4.1Å; V266-A532 HydrophobicContact CG2-CB 4.37Å; V266-L536 HydrophobicContact CG1-CD1 4.06Å; V266-L561 HydrophobicContact CB-CD2 3.97Å; V266-L561 HydrophobicContact CG1-CD2 4.06Å; V266-L561 HydrophobicContact CG2-CD2 3.65Å; V266-V563 HydrophobicContact CG2-CG2 3.72Å
267	K	95.3	Very high	94	Very high	60 Å²	60	55.5 Å²	55.5	26%	0.261	31%	0.31	S	S	.	.	H	α-helix	trans	-55.6	-48.6	175	-66.5	-172	-176.5	-160.5	0	112.5	L257 A258 L260 W263 M269 Q270 A271	L257-K267 HydrophobicContact CD2-CG 4.45Å; L257-K267 VanDerWaalsContact O-CD 3.3Å; L257-K267 WeakPolarHBondContact O-CD 3.37Å; L257-K267 WeakPolarHBondContact O-CE 3.39Å; L257-K267 PolarHBondContact O-NZ 2.91Å; A258-K267 PolarHBondContact O-NZ 3.43Å; L260-K267 WeakPolarHBondContact O-CE 3.23Å; L260-K267 PolarHBondContact O-NZ 3.35Å; W263-K267 HydrophobicContact CB-CG 3.91Å; W263-K267 PolarHBondContact O-N 2.98Å; K267-M269 PolarHBondContact O-N 2.89Å; K267-Q270 PolarHBondContact O-N 3.24Å; K267-A271 VanDerWaalsContact O-CB 3.31Å; K267-A271 WeakPolarHBondContact O-CB 3.32Å; K267-A271 PolarHBondContact O-N 3.33Å
268	A	94.8	Very high	94	Very high	70 Å²	70	58.8 Å²	58.8	58%	0.579	33%	0.331	S	S	*	.	H	α-helix	trans	-65.7	-39.7	-177.9	0	0	0	0	0	111.6	V266 A271 N272	V266-A268 VanDerWaalsContact C-N 3.34Å; V266-A268 PolarHBondContact O-N 2.91Å; A268-A271 PolarHBondContact O-N 2.85Å; A268-N272 WeakPolarHBondContact O-CB 3.42Å; A268-N272 PolarHBondContact O-N 3.14Å
269	M	94.7	Very high	94	Very high	52 Å²	52	54.9 Å²	54.9	26%	0.256	30%	0.299	S	S	.	.	H	α-helix	trans	-62.4	-45.7	174.9	-72.3	-176.7	-76.7	0	0	111.8	G265 V266 K267 W273 K529 A532 V533	G265-M269 VanDerWaalsContact O-CE 3.32Å; G265-M269 WeakPolarHBondContact O-CE 3.25Å; G265-M269 PolarHBondContact O-N 3.04Å; V266-M269 HydrophobicContact CB-CE 4.45Å; V266-M269 HydrophobicContact CG2-CE 3.96Å; V266-M269 PolarHBondContact O-N 3.36Å; K267-M269 PolarHBondContact O-N 2.89Å; M269-W273 VanDerWaalsContact O-CB 3.25Å; M269-W273 WeakPolarHBondContact O-CB 3.48Å; M269-W273 PolarHBondContact O-N 3.4Å; M269-K529 HydrophobicContact CE-CD 4.06Å; M269-K529 HydrophobicContact CE-CG 3.74Å; M269-K529 HydrophobicContact SD-CD 4.46Å; M269-K529 WeakPolarHBondContact SD-CE 3.39Å; M269-K529 HydrophobicContact SD-CG 4.34Å; M269-A532 HydrophobicContact CB-CB 4.41Å; M269-A532 HydrophobicContact CE-CB 3.91Å; M269-A532 HydrophobicContact SD-CB 4.16Å; M269-V533 HydrophobicContact CB-CG1 4.2Å
270	Q	95.8	Very high	94.3	Very high	0 Å²	0	49.6 Å²	49.6	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-68.7	-38.9	176.8	-72.7	-163.5	3.2	0	0	112.8	L257 V266 K267 W273 I274 A532	L257-Q270 HydrophobicContact CD1-CB 4.12Å; L257-Q270 HydrophobicContact CD2-CB 4.24Å; V266-Q270 HydrophobicContact CG1-CG 4.35Å; V266-Q270 PolarHBondContact O-N 3.5Å; K267-Q270 PolarHBondContact O-N 3.24Å; Q270-W273 PolarHBondContact O-N 3.5Å; Q270-I274 WeakPolarHBondContact O-CB 3.26Å; Q270-I274 VanDerWaalsContact O-CG1 3.27Å; Q270-I274 WeakPolarHBondContact O-CG1 3.35Å; Q270-I274 PolarHBondContact O-N 3.01Å; Q270-A532 VanDerWaalsContact CG-O 3.29Å; Q270-A532 WeakPolarHBondContact CG-O 3.11Å; Q270-A532 PolarHBondContact NE2-O 3.1Å
271	A	96.5	Very high	94.4	Very high	35 Å²	35	52.2 Å²	52.2	29%	0.289	28%	0.28	S	S	.	.	H	α-helix	trans	-62.5	-44.8	176.5	0	0	0	0	0	111.4	L254 L257 K267 A268 W273 I274 G275	L254-A271 HydrophobicContact CD1-CB 3.93Å; L257-A271 HydrophobicContact CD1-CB 3.95Å; K267-A271 VanDerWaalsContact O-CB 3.31Å; K267-A271 WeakPolarHBondContact O-CB 3.32Å; K267-A271 PolarHBondContact O-N 3.33Å; A268-A271 PolarHBondContact O-N 2.85Å; A271-W273 VanDerWaalsContact C-N 3.34Å; A271-W273 PolarHBondContact O-N 2.91Å; A271-I274 PolarHBondContact O-N 3.44Å; A271-G275 PolarHBondContact O-N 3.24Å
272	N	94.4	Very high	94.8	Very high	118 Å²	118	49.3 Å²	49.3	63%	0.631	26%	0.261	S	S	*	.	H	α-helix	trans	-65.1	-38	175.4	-176.9	66.1	0	0	0	112.4	A268	A268-N272 WeakPolarHBondContact O-CB 3.42Å; A268-N272 PolarHBondContact O-N 3.14Å
273	W	92	Very high	95	Very high	79 Å²	79	47 Å²	47	30%	0.299	25%	0.251	S	S	.	.	H	α-helix	trans	-65.1	-46.8	176.6	-177.1	-100.2	0	0	0	112.5	E219 M269 Q270 A271 G275 V533	E219-W273 HydrophobicContact CG-CH2 3.77Å; E219-W273 HydrophobicContact CG-CZ2 3.41Å; E219-W273 VanDerWaalsContact CG-CZ2 3.41Å; M269-W273 VanDerWaalsContact O-CB 3.25Å; M269-W273 WeakPolarHBondContact O-CB 3.48Å; M269-W273 PolarHBondContact O-N 3.4Å; Q270-W273 PolarHBondContact O-N 3.5Å; A271-W273 VanDerWaalsContact C-N 3.34Å; A271-W273 PolarHBondContact O-N 2.91Å; W273-G275 VanDerWaalsContact C-N 3.35Å; W273-V533 HydrophobicContact CB-CB 4.17Å; W273-V533 HydrophobicContact CB-CG1 3.72Å; W273-V533 HydrophobicContact CD2-CB 3.89Å; W273-V533 HydrophobicContact CD2-CG1 4.28Å; W273-V533 HydrophobicContact CD2-CG2 4.25Å; W273-V533 HydrophobicContact CE3-CB 4.28Å; W273-V533 HydrophobicContact CE3-CG2 4.22Å; W273-V533 HydrophobicContact CG-CB 3.79Å; W273-V533 HydrophobicContact CG-CG1 3.92Å
274	I	95.4	Very high	95.2	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	25%	0.25	C	S	.	.	H	α-helix	trans	-67.8	-38.2	177.7	-66.9	166	0	0	0	110.2	A250 L253 L254 Q270 A271 S442 Y537	A250-I274 HydrophobicContact CB-CG2 4.2Å; L253-I274 HydrophobicContact CB-CD1 4.16Å; L254-I274 HydrophobicContact CB-CD1 4.38Å; L254-I274 HydrophobicContact CB-CG2 4.15Å; Q270-I274 WeakPolarHBondContact O-CB 3.26Å; Q270-I274 VanDerWaalsContact O-CG1 3.27Å; Q270-I274 WeakPolarHBondContact O-CG1 3.35Å; Q270-I274 PolarHBondContact O-N 3.01Å; A271-I274 PolarHBondContact O-N 3.44Å; I274-S442 WeakPolarHBondContact O-CB 3.28Å; I274-S442 PolarHBondContact O-OG 3.45Å; I274-Y537 HydrophobicContact CD1-CD2 4.25Å; I274-Y537 HydrophobicContact CD1-CE2 3.88Å; I274-Y537 HydrophobicContact CG1-CD2 4.27Å; I274-Y537 HydrophobicContact CG1-CE2 3.75Å
275	G	94.9	Very high	95.6	Very high	6 Å²	6	40.4 Å²	40.4	6%	0.062	23%	0.227	C	C	.	.			trans	74.2	176.3	-176	0	0	0	0	0	113.6	A271 W273 C277	A271-G275 PolarHBondContact O-N 3.24Å; W273-G275 VanDerWaalsContact C-N 3.35Å; G275-C277 PolarHBondContact O-N 3.26Å
276	E	94.8	Very high	96	Very high	149 Å²	149	38 Å²	38	70%	0.696	20%	0.202	S	C	*	.			trans	-69.5	116.5	-179.3	-67.6	-60	141.9	0	0	110.8	T278 S442	E276-T278 VanDerWaalsContact C-N 3.28Å; E276-T278 HydrophobicContact CB-CG2 4.35Å; E276-T278 PolarHBondContact O-N 3.35Å; E276-S442 VanDerWaalsContact O-CA 3.25Å; E276-S442 WeakPolarHBondContact O-CA 3.2Å; E276-S442 WeakPolarHBondContact O-CB 3.37Å
277	C	96.8	Very high	96.2	Very high	9 Å²	9	39.5 Å²	39.5	6%	0.061	21%	0.208	C	C	.	.			trans	-87.1	64.4	-176.9	-66.8	0	0	0	0	111.7	K251 L254 G275 T441	K251-C277 HydrophobicContact CB-CB 3.95Å; K251-C277 HydrophobicContact CD-CB 3.92Å; K251-C277 HydrophobicContact CG-CB 4.48Å; L254-C277 HydrophobicContact CD2-CB 4.25Å; G275-C277 PolarHBondContact O-N 3.26Å; C277-T441 WeakPolarHBondContact CA-O 3.44Å
278	T	95.1	Very high	96.2	Very high	80 Å²	80	38 Å²	38	49%	0.491	20%	0.204	S	C	.	.			trans	-98.2	-24	-177.3	52.7	0	0	0	0	113.6	E276 P304	E276-T278 VanDerWaalsContact C-N 3.28Å; E276-T278 HydrophobicContact CB-CG2 4.35Å; E276-T278 PolarHBondContact O-N 3.35Å; T278-P304 WeakPolarHBondContact O-CD 3.26Å
279	G	96.4	Very high	96	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	179.2	179.5	0	0	0	0	0	113.6	Y300 C301 L440 T441	G279-Y300 WeakPolarHBondContact CA-OH 3.36Å; G279-Y300 PolarHBondContact N-OH 2.93Å; G279-C301 CarbonylContact C-O 3.59Å; G279-C301 WeakPolarHBondContact CA-O 3.47Å; G279-L440 CarbonylContact O-C 3.51Å; G279-L440 VanDerWaalsContact O-CA 3.27Å; G279-L440 WeakPolarHBondContact O-CA 3.45Å; G279-L440 WeakPolarHBondContact O-CD2 3.3Å; G279-T441 CarbonylContact C-O 3.58Å; G279-T441 PolarHBondContact N-O 2.81Å; G279-T441 PolarHBondContact O-N 2.82Å
280	C	97.8	Very high	95.7	Very high	0 Å²	0	41 Å²	41	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155	163.9	169.9	71.2	0	0	0	0	111.7	F282 C301 P304 H439	C280-F282 WeakPolarHBondContact SG-CE2 3.27Å; C280-C301 PolarHBondContact N-O 3.29Å; C280-C301 VanDerWaalsContact O-CB 3.27Å; C280-C301 WeakPolarHBondContact O-CB 3.32Å; C280-C301 PolarHBondContact O-N 3.2Å; C280-P304 HydrophobicContact CB-CG 4.22Å; C280-P304 VanDerWaalsContact SG-CB 3.52Å; C280-P304 WeakPolarHBondContact SG-CG 2.77Å; C280-H439 WeakPolarHBondContact CB-O 3.29Å
281	Y	97.6	Very high	95.6	Very high	59 Å²	59	48.8 Å²	48.8	23%	0.231	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85	148.6	171.4	-68.3	-93.3	0	0	0	111.5	A299 Y300 L371 G437 G438 T441	Y281-A299 WeakPolarHBondContact CA-O 3.04Å; Y281-Y300 HydrophobicContact CD2-CD2 4.22Å; Y281-Y300 HydrophobicContact CE1-CD2 4.38Å; Y281-Y300 AromaticContact CE2-CD2 3.82Å; Y281-Y300 HydrophobicContact CE2-CD2 3.82Å; Y281-Y300 AromaticContact CZ-CD2 3.92Å; Y281-L371 VanDerWaalsContact OH-CD2 3.31Å; Y281-L371 WeakPolarHBondContact OH-CD2 3.39Å; Y281-G437 VanDerWaalsContact O-CA 3.22Å; Y281-G437 WeakPolarHBondContact O-CA 3.39Å; Y281-G438 PolarHBondContact O-N 2.91Å; Y281-T441 HydrophobicContact CD2-CG2 3.88Å; Y281-T441 HydrophobicContact CE2-CG2 3.79Å
282	F	98.3	Very high	95.5	Very high	0 Å²	0	52 Å²	52	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	146.1	165	-68.9	-85.7	0	0	0	110.2	C280 F284 S298 A299 C301 P304 V307 F352 I375 I427 A431 V436	C280-F282 WeakPolarHBondContact SG-CE2 3.27Å; F282-F284 HydrophobicContact CB-CE2 3.8Å; F282-F284 HydrophobicContact CB-CZ 4.36Å; F282-F284 VanDerWaalsContact O-CD2 3.24Å; F282-F284 WeakPolarHBondContact O-CD2 3.4Å; F282-F284 VanDerWaalsContact O-CE2 3.31Å; F282-F284 WeakPolarHBondContact O-CE2 3.46Å; F282-S298 WeakPolarHBondContact O-CA 3.34Å; F282-A299 PolarHBondContact N-O 2.91Å; F282-A299 VanDerWaalsContact N-O 3.08Å; F282-A299 PolarHBondContact O-N 3.41Å; F282-C301 HydrophobicContact CD2-CB 3.81Å; F282-C301 HydrophobicContact CE2-CB 3.82Å; F282-P304 HydrophobicContact CE2-CB 4.09Å; F282-P304 HydrophobicContact CZ-CB 4.23Å; F282-V307 HydrophobicContact CD1-CG2 4.4Å; F282-V307 HydrophobicContact CD2-CG2 3.81Å; F282-V307 HydrophobicContact CE1-CG1 4.46Å; F282-V307 HydrophobicContact CE1-CG2 4.35Å; F282-V307 HydrophobicContact CE2-CB 3.96Å; F282-V307 HydrophobicContact CE2-CG1 4.47Å; F282-V307 HydrophobicContact CE2-CG2 3.76Å; F282-V307 HydrophobicContact CG-CG2 4.13Å; F282-V307 HydrophobicContact CZ-CB 4.07Å; F282-V307 HydrophobicContact CZ-CG1 4.06Å; F282-V307 HydrophobicContact CZ-CG2 4.04Å; F282-F352 HydrophobicContact CD1-CB 3.87Å; F282-F352 HydrophobicContact CD1-CD1 4.38Å; F282-F352 HydrophobicContact CD1-CG 4.21Å; F282-F352 HydrophobicContact CE1-CB 4.15Å; F282-F352 AromaticContact CE1-CD1 3.87Å; F282-F352 HydrophobicContact CE1-CD1 3.87Å; F282-F352 HydrophobicContact CE1-CE1 4.5Å; F282-F352 AromaticContact CE1-CG 3.97Å; F282-F352 HydrophobicContact CE1-CG 3.97Å; F282-I375 HydrophobicContact CB-CD1 4.32Å; F282-I375 HydrophobicContact CD2-CD1 3.96Å; F282-I427 HydrophobicContact CE1-CG2 4.34Å; F282-I427 HydrophobicContact CZ-CG2 3.96Å; F282-A431 HydrophobicContact CD1-CB 4.32Å; F282-A431 HydrophobicContact CE1-CB 3.76Å; F282-V436 WeakPolarHBondContact CA-O 3.38Å
283	D	97.6	Very high	95.5	Very high	32 Å²	32	48.4 Å²	48.4	17%	0.171	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	137.1	-179.5	-68.3	-22.1	0	0	0	112.4	T296 S298 R351 V436	D283-T296 HydrophobicContact CB-CG2 4Å; D283-S298 WeakPolarHBondContact OD1-CB 3.48Å; D283-S298 PolarHBondContact OD1-OG 2.71Å; D283-R351 VanDerWaalsContact O-CB 3.28Å; D283-R351 WeakPolarHBondContact O-CB 3.47Å; D283-R351 WeakPolarHBondContact O-CG 3.47Å; D283-R351 PolarHBondContact O-N 2.91Å; D283-V436 PolarHBondContact N-O 3.42Å
284	F	98.3	Very high	95.4	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	133.7	179.5	-62.3	-107.9	0	0	0	111.4	F282 T296 L297 A299 L313 A348 L349 N350 V357 I375	F282-F284 HydrophobicContact CB-CE2 3.8Å; F282-F284 HydrophobicContact CB-CZ 4.36Å; F282-F284 VanDerWaalsContact O-CD2 3.24Å; F282-F284 WeakPolarHBondContact O-CD2 3.4Å; F282-F284 VanDerWaalsContact O-CE2 3.31Å; F282-F284 WeakPolarHBondContact O-CE2 3.46Å; F284-T296 CarbonylContact O-C 3.41Å; F284-T296 VanDerWaalsContact O-CA 3.25Å; F284-T296 WeakPolarHBondContact O-CA 3.45Å; F284-T296 WeakPolarHBondContact O-CG2 3.45Å; F284-L297 WeakPolarHBondContact CB-O 3.36Å; F284-L297 PolarHBondContact N-O 2.88Å; F284-L297 PolarHBondContact O-N 2.99Å; F284-A299 HydrophobicContact CD2-CB 4.37Å; F284-A299 HydrophobicContact CE2-CB 4.13Å; F284-L313 HydrophobicContact CB-CD1 4.02Å; F284-L313 HydrophobicContact CD1-CD1 3.8Å; F284-L313 HydrophobicContact CD1-CD2 4.28Å; F284-L313 HydrophobicContact CD1-CG 4.29Å; F284-L313 HydrophobicContact CD2-CD1 3.9Å; F284-L313 HydrophobicContact CD2-CD2 4.29Å; F284-L313 HydrophobicContact CE1-CD1 4.21Å; F284-L313 HydrophobicContact CE1-CD2 3.83Å; F284-L313 HydrophobicContact CE1-CG 4.26Å; F284-L313 HydrophobicContact CE2-CD1 4.34Å; F284-L313 HydrophobicContact CE2-CD2 3.89Å; F284-L313 HydrophobicContact CG-CD1 3.65Å; F284-L313 HydrophobicContact CZ-CD2 3.66Å; F284-A348 HydrophobicContact CB-CB 3.93Å; F284-A348 HydrophobicContact CD1-CB 4.04Å; F284-A348 HydrophobicContact CG-CB 4.33Å; F284-L349 CarbonylContact C-O 3.55Å; F284-L349 VanDerWaalsContact CA-O 3.23Å; F284-L349 WeakPolarHBondContact CA-O 3.13Å; F284-N350 HydrophobicContact CD1-CB 3.71Å; F284-N350 HydrophobicContact CE1-CB 3.38Å; F284-N350 WeakPolarHBondContact CE1-ND2 3.41Å; F284-N350 HydrophobicContact CZ-CB 4.07Å; F284-N350 VanDerWaalsContact CZ-ND2 3.32Å; F284-N350 WeakPolarHBondContact CZ-ND2 3.44Å; F284-V357 HydrophobicContact CD1-CG2 4.44Å; F284-V357 HydrophobicContact CE1-CG2 4.14Å; F284-I375 HydrophobicContact CE2-CD1 3.84Å; F284-I375 HydrophobicContact CE2-CG1 4.2Å; F284-I375 HydrophobicContact CZ-CD1 3.67Å; F284-I375 HydrophobicContact CZ-CG1 4.09Å
285	K	97.9	Very high	95.2	Very high	49 Å²	49	49 Å²	49	21%	0.213	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	123.6	171	-70.8	-71.8	-179	-169.4	0	109.6	T296 A348 L349 R351	K285-T296 WeakPolarHBondContact CE-OG1 3.34Å; K285-T296 PolarHBondContact NZ-OG1 2.72Å; K285-A348 WeakPolarHBondContact O-CA 3.31Å; K285-L349 HydrophobicContact CB-CB 4.46Å; K285-L349 PolarHBondContact N-O 3.2Å; K285-L349 PolarHBondContact O-N 2.91Å; K285-R351 HydrophobicContact CG-CG 4.12Å
286	L	97.7	Very high	95.1	Very high	0 Å²	0	50.9 Å²	50.9	0%	0	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	142	178.5	-62	-175.6	0	0	0	110.5	E292 T293 E295 L297 L321 V328 V346 T347 A348 V359	L286-E292 WeakPolarHBondContact O-CA 3.45Å; L286-T293 PolarHBondContact O-N 3.47Å; L286-T293 PolarHBondContact O-OG1 3.27Å; L286-E295 HydrophobicContact CB-CB 4.48Å; L286-E295 HydrophobicContact CD1-CB 4.07Å; L286-E295 HydrophobicContact CG-CB 4.5Å; L286-E295 PolarHBondContact N-O 2.99Å; L286-L297 HydrophobicContact CD1-CB 4.49Å; L286-L297 HydrophobicContact CD2-CB 3.92Å; L286-L297 HydrophobicContact CD2-CD2 4.3Å; L286-L297 HydrophobicContact CG-CB 4.27Å; L286-L321 HydrophobicContact CD1-CD1 3.86Å; L286-L321 HydrophobicContact CD1-CD2 3.92Å; L286-V328 HydrophobicContact CD1-CG2 4.21Å; L286-V346 HydrophobicContact CD2-CG1 4.38Å; L286-T347 WeakPolarHBondContact CA-O 3.49Å; L286-A348 HydrophobicContact CD2-CB 4.11Å; L286-V359 HydrophobicContact CD2-CG2 4.25Å
287	K	97.8	Very high	95.2	Very high	31 Å²	31	44 Å²	44	14%	0.135	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	147.8	-178.3	-80.9	-177.8	159.2	-168.3	0	111.2	G290 K291 E292 V346 T347 E356	K287-G290 WeakPolarHBondContact CE-O 3.15Å; K287-K291 CarbonylContact C-O 3.55Å; K287-K291 WeakPolarHBondContact CA-O 3.45Å; K287-E292 HydrophobicContact CG-CG 4.02Å; K287-V346 WeakPolarHBondContact O-CA 3.29Å; K287-T347 VanDerWaalsContact CB-OG1 3.3Å; K287-T347 WeakPolarHBondContact CB-OG1 3.31Å; K287-T347 PolarHBondContact N-O 2.84Å; K287-T347 PolarHBondContact O-N 2.88Å; K287-E356 WeakPolarHBondContact CD-OE1 3.35Å; K287-E356 VanDerWaalsContact CD-OE2 3.31Å; K287-E356 WeakPolarHBondContact CD-OE2 3.14Å; K287-E356 IonicContact NZ-OE2 2.8Å; K287-E356 PolarHBondContact NZ-OE2 3.44Å
288	V	95.7	Very high	95.1	Very high	29 Å²	29	46.1 Å²	46.1	18%	0.176	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	128.2	171	176.8	0	0	0	0	107.5	G290 K291 T293 V328 L331 V346	V288-G290 PolarHBondContact O-N 2.89Å; V288-K291 PolarHBondContact N-O 2.93Å; V288-K291 PolarHBondContact O-N 3.34Å; V288-T293 HydrophobicContact CB-CG2 4.4Å; V288-T293 HydrophobicContact CG2-CG2 3.82Å; V288-V328 HydrophobicContact CG2-CG1 3.82Å; V288-L331 HydrophobicContact CB-CD1 4.35Å; V288-L331 HydrophobicContact CG1-CD1 3.63Å; V288-L331 HydrophobicContact CG2-CD1 3.71Å; V288-V346 HydrophobicContact CG2-CG2 4.35Å
289	N	90.4	Very high	95.2	Very high	138 Å²	138	42.3 Å²	42.3	74%	0.738	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	51.2	40.1	-177.6	-61.8	-37.5	0	0	0	112.9	K291	N289-K291 PolarHBondContact O-N 3.44Å
290	G	88.6	Confident	95.3	Very high	46 Å²	46	43 Å²	43	47%	0.474	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	76.3	-3.7	179.8	0	0	0	0	0	116	K287 V288	K287-G290 WeakPolarHBondContact CE-O 3.15Å; V288-G290 PolarHBondContact O-N 2.89Å
291	K	94.3	Very high	95.3	Very high	164 Å²	164	43 Å²	43	71%	0.713	24%	0.241	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-101.6	137.8	179.3	-64.9	-176.6	-179.6	179.6	0	111.3	K287 V288 N289	K287-K291 CarbonylContact C-O 3.55Å; K287-K291 WeakPolarHBondContact CA-O 3.45Å; V288-K291 PolarHBondContact N-O 2.93Å; V288-K291 PolarHBondContact O-N 3.34Å; N289-K291 PolarHBondContact O-N 3.44Å
292	E	94.4	Very high	95.2	Very high	104 Å²	104	43.3 Å²	43.3	49%	0.486	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.8	138.2	176.3	-66.2	-172.7	-168.1	0	0	111.2	L286 K287	L286-E292 WeakPolarHBondContact O-CA 3.45Å; K287-E292 HydrophobicContact CG-CG 4.02Å
293	T	93.2	Very high	95.2	Very high	42 Å²	42	43.7 Å²	43.7	26%	0.258	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	-12.1	177.5	68.2	0	0	0	0	112.8	L286 V288 E295 V328	L286-T293 PolarHBondContact O-N 3.47Å; L286-T293 PolarHBondContact O-OG1 3.27Å; V288-T293 HydrophobicContact CB-CG2 4.4Å; V288-T293 HydrophobicContact CG2-CG2 3.82Å; T293-E295 VanDerWaalsContact C-N 3.25Å; T293-E295 PolarHBondContact O-N 3.46Å; T293-E295 PolarHBondContact OG1-N 2.92Å; T293-V328 HydrophobicContact CG2-CG1 3.83Å
294	G	89.9	Confident	95.2	Very high	56 Å²	56	42.2 Å²	42.2	58%	0.577	25%	0.247	S	C	*	.	E	Extended strand (participates in β ladder)	trans	87	-17.8	-170.4	0	0	0	0	0	113.7
295	E	92.1	Very high	95.1	Very high	35 Å²	35	42.8 Å²	42.8	16%	0.164	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	146.9	177	-70.5	-176.8	-104.4	0	0	112.3	L286 T293 R320 S326 S327	L286-E295 HydrophobicContact CB-CB 4.48Å; L286-E295 HydrophobicContact CD1-CB 4.07Å; L286-E295 HydrophobicContact CG-CB 4.5Å; L286-E295 PolarHBondContact N-O 2.99Å; T293-E295 VanDerWaalsContact C-N 3.25Å; T293-E295 PolarHBondContact O-N 3.46Å; T293-E295 PolarHBondContact OG1-N 2.92Å; E295-R320 IonicContact OE2-NH1 3.86Å; E295-S326 VanDerWaalsContact CD-OG 3.27Å; E295-S326 PolarHBondContact OE1-OG 3.41Å; E295-S326 WeakPolarHBondContact OE2-CB 3.12Å; E295-S326 PolarHBondContact OE2-OG 2.99Å; E295-S327 VanDerWaalsContact OE1-CB 3.29Å; E295-S327 WeakPolarHBondContact OE1-CB 3.23Å; E295-S327 PolarHBondContact OE1-N 3.38Å; E295-S327 PolarHBondContact OE1-OG 2.93Å
296	T	93.9	Very high	95.1	Very high	46 Å²	46	40.5 Å²	40.5	28%	0.282	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	135.2	175.1	-50.2	0	0	0	0	109.4	D283 F284 K285 R320	D283-T296 HydrophobicContact CB-CG2 4Å; F284-T296 CarbonylContact O-C 3.41Å; F284-T296 VanDerWaalsContact O-CA 3.25Å; F284-T296 WeakPolarHBondContact O-CA 3.45Å; F284-T296 WeakPolarHBondContact O-CG2 3.45Å; K285-T296 WeakPolarHBondContact CE-OG1 3.34Å; K285-T296 PolarHBondContact NZ-OG1 2.72Å; T296-R320 PolarHBondContact O-NH2 3.02Å
297	L	95.2	Very high	95.1	Very high	5 Å²	5	40.5 Å²	40.5	3%	0.026	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	121.4	172.9	177.8	60.6	0	0	0	108.5	F284 L286 L313 I315 L321 A373	F284-L297 WeakPolarHBondContact CB-O 3.36Å; F284-L297 PolarHBondContact N-O 2.88Å; F284-L297 PolarHBondContact O-N 2.99Å; L286-L297 HydrophobicContact CD1-CB 4.49Å; L286-L297 HydrophobicContact CD2-CB 3.92Å; L286-L297 HydrophobicContact CD2-CD2 4.3Å; L286-L297 HydrophobicContact CG-CB 4.27Å; L297-L313 HydrophobicContact CD2-CD1 3.91Å; L297-I315 HydrophobicContact CD2-CG2 3.94Å; L297-L321 HydrophobicContact CD1-CD1 4.2Å; L297-L321 HydrophobicContact CD2-CD1 4.03Å; L297-A373 HydrophobicContact CD1-CB 4.02Å
298	S	95.6	Very high	95.1	Very high	52 Å²	52	39.4 Å²	39.4	36%	0.364	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	126.9	168.9	-51.9	0	0	0	0	108.2	F282 D283	F282-S298 WeakPolarHBondContact O-CA 3.34Å; D283-S298 WeakPolarHBondContact OD1-CB 3.48Å; D283-S298 PolarHBondContact OD1-OG 2.71Å
299	A	97.3	Very high	95.2	Very high	0 Å²	0	38.1 Å²	38.1	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	141.7	-179.1	0	0	0	0	0	111	Y281 F282 F284 L313 A373 I375	Y281-A299 WeakPolarHBondContact CA-O 3.04Å; F282-A299 PolarHBondContact N-O 2.91Å; F282-A299 VanDerWaalsContact N-O 3.08Å; F282-A299 PolarHBondContact O-N 3.41Å; F284-A299 HydrophobicContact CD2-CB 4.37Å; F284-A299 HydrophobicContact CE2-CB 4.13Å; A299-L313 HydrophobicContact CB-CD1 4.39Å; A299-L313 HydrophobicContact CB-CD2 3.79Å; A299-A373 HydrophobicContact CB-CB 4.29Å; A299-I375 HydrophobicContact CB-CG1 3.88Å
300	Y	97.9	Very high	95.6	Very high	14 Å²	14	32 Å²	32	6%	0.055	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	134.4	-178.6	-177.1	-98.1	0	0	0	111.7	G279 Y281 L371 A373 V374 I375 T441 S443	G279-Y300 WeakPolarHBondContact CA-OH 3.36Å; G279-Y300 PolarHBondContact N-OH 2.93Å; Y281-Y300 HydrophobicContact CD2-CD2 4.22Å; Y281-Y300 HydrophobicContact CE1-CD2 4.38Å; Y281-Y300 AromaticContact CE2-CD2 3.82Å; Y281-Y300 HydrophobicContact CE2-CD2 3.82Å; Y281-Y300 AromaticContact CZ-CD2 3.92Å; Y300-L371 HydrophobicContact CD1-CD1 3.46Å; Y300-L371 VanDerWaalsContact CD1-CD1 3.46Å; Y300-L371 HydrophobicContact CD1-CD2 4.16Å; Y300-L371 HydrophobicContact CD1-CG 4.47Å; Y300-L371 HydrophobicContact CD2-CD2 4.09Å; Y300-L371 HydrophobicContact CE1-CD1 3.97Å; Y300-L371 HydrophobicContact CG-CD1 3.91Å; Y300-L371 HydrophobicContact CG-CD2 3.71Å; Y300-L371 HydrophobicContact CG-CG 4.49Å; Y300-A373 PolarHBondContact N-O 3.02Å; Y300-V374 WeakPolarHBondContact O-CA 3.22Å; Y300-I375 PolarHBondContact O-N 2.83Å; Y300-T441 HydrophobicContact CE2-CG2 4.24Å; Y300-S443 PolarHBondContact OH-N 2.96Å
301	C	97.7	Very high	96	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	113.5	176.8	-164.1	0	0	0	0	109.4	G279 C280 F282 A303 I375	G279-C301 CarbonylContact C-O 3.59Å; G279-C301 WeakPolarHBondContact CA-O 3.47Å; C280-C301 PolarHBondContact N-O 3.29Å; C280-C301 VanDerWaalsContact O-CB 3.27Å; C280-C301 WeakPolarHBondContact O-CB 3.32Å; C280-C301 PolarHBondContact O-N 3.2Å; F282-C301 HydrophobicContact CD2-CB 3.81Å; F282-C301 HydrophobicContact CE2-CB 3.82Å; C301-A303 VanDerWaalsContact C-N 3.32Å; C301-A303 PolarHBondContact SG-O 3.06Å; C301-I375 HydrophobicContact CB-CD1 3.73Å; C301-I375 HydrophobicContact CB-CG1 4.41Å
302	S	96.1	Very high	96.2	Very high	67 Å²	67	22.2 Å²	22.2	47%	0.469	14%	0.141	S	C	.	.	S	Bend	trans	-72.9	-23.7	179.4	55.8	0	0	0	0	113.4
303	A	97.1	Very high	96.4	Very high	8 Å²	8	17.3 Å²	17.3	7%	0.066	12%	0.118	C	C	.	.	S	Bend	trans	-131.5	79.4	174.8	0	0	0	0	0	110.1	C301 E305 M306 L377 V380	C301-A303 VanDerWaalsContact C-N 3.32Å; C301-A303 PolarHBondContact SG-O 3.06Å; A303-E305 VanDerWaalsContact C-OE2 3.23Å; A303-E305 PolarHBondContact O-N 2.67Å; A303-E305 VanDerWaalsContact O-N 3.12Å; A303-M306 HydrophobicContact CB-CB 4.28Å; A303-M306 HydrophobicContact CB-CG 3.84Å; A303-M306 WeakPolarHBondContact O-CB 3.41Å; A303-M306 PolarHBondContact O-N 3.38Å; A303-L377 HydrophobicContact CB-CD1 4.08Å; A303-V380 HydrophobicContact CB-CG2 4.16Å
304	P	97.9	Very high	96.7	Very high	0 Å²	0	15.6 Å²	15.6	0%	0	11%	0.108	C	C	.	.	G	3₁₀ helix	trans	-55.9	-30.4	-173	-28.1	36.7	0	0	0	115.1	T278 C280 F282 M306 V307 L424 T428 L440	T278-P304 WeakPolarHBondContact O-CD 3.26Å; C280-P304 HydrophobicContact CB-CG 4.22Å; C280-P304 VanDerWaalsContact SG-CB 3.52Å; C280-P304 WeakPolarHBondContact SG-CG 2.77Å; F282-P304 HydrophobicContact CE2-CB 4.09Å; F282-P304 HydrophobicContact CZ-CB 4.23Å; P304-M306 PolarHBondContact O-N 3.49Å; P304-V307 WeakPolarHBondContact O-CB 3.19Å; P304-V307 WeakPolarHBondContact O-CG1 3.38Å; P304-V307 PolarHBondContact O-N 3.06Å; P304-L424 HydrophobicContact CB-CD1 3.8Å; P304-L424 HydrophobicContact CG-CD1 3.92Å; P304-T428 HydrophobicContact CB-CG2 3.95Å; P304-L440 HydrophobicContact CG-CD2 4.39Å
305	E	97.5	Very high	97	Very high	13 Å²	13	13 Å²	13	6%	0.061	8%	0.081	C	C	.	.	G	3₁₀ helix	trans	-63.3	-19.6	176.1	74.4	-78.4	-168.4	0	0	113.1	A303 L409 R420 A423 L424 I427	A303-E305 VanDerWaalsContact C-OE2 3.23Å; A303-E305 PolarHBondContact O-N 2.67Å; A303-E305 VanDerWaalsContact O-N 3.12Å; E305-L409 VanDerWaalsContact O-CD2 3.26Å; E305-L409 WeakPolarHBondContact O-CD2 3.45Å; E305-R420 HydrophobicContact CG-CB 4.21Å; E305-R420 HydrophobicContact CG-CG 4.39Å; E305-R420 IonicContact OE1-CZ 3.26Å; E305-R420 IonicContact OE1-NE 3.8Å; E305-R420 PolarHBondContact OE1-NE 2.9Å; E305-R420 IonicContact OE1-NH2 2.79Å; E305-R420 PolarHBondContact OE1-NH2 3.48Å; E305-A423 HydrophobicContact CB-CB 3.87Å; E305-L424 HydrophobicContact CB-CB 4.07Å; E305-I427 WeakPolarHBondContact O-CD1 3.42Å
306	M	97.2	Very high	97.2	Very high	1 Å²	1	11.8 Å²	11.8	1%	0.005	8%	0.076	C	C	.	.	G	3₁₀ helix	trans	-97	6.2	-177.6	-52.5	-53.8	-72.1	0	0	113.3	A303 P304 Y308 G309 L377 D379 V380 V398 L399 L409	A303-M306 HydrophobicContact CB-CB 4.28Å; A303-M306 HydrophobicContact CB-CG 3.84Å; A303-M306 WeakPolarHBondContact O-CB 3.41Å; A303-M306 PolarHBondContact O-N 3.38Å; P304-M306 PolarHBondContact O-N 3.49Å; M306-Y308 PolarHBondContact O-N 3.4Å; M306-G309 PolarHBondContact O-N 2.87Å; M306-L377 HydrophobicContact CB-CD1 4.32Å; M306-L377 HydrophobicContact CB-CD2 4.29Å; M306-D379 HydrophobicContact CE-CB 4.25Å; M306-V380 HydrophobicContact CE-CG1 3.95Å; M306-V380 HydrophobicContact CG-CG1 4.01Å; M306-V380 HydrophobicContact CG-CG2 4.44Å; M306-V398 HydrophobicContact CB-CG2 4.43Å; M306-V398 HydrophobicContact CE-CG2 3.58Å; M306-V398 HydrophobicContact SD-CG2 4.47Å; M306-L399 HydrophobicContact CE-CB 3.48Å; M306-L399 VanDerWaalsContact CE-CB 3.48Å; M306-L399 HydrophobicContact CE-CD1 3.73Å; M306-L399 HydrophobicContact CE-CD2 4.11Å; M306-L399 HydrophobicContact CE-CG 3.95Å; M306-L399 HydrophobicContact SD-CD1 4.17Å; M306-L409 HydrophobicContact SD-CD1 4.48Å
307	V	97.8	Very high	97.2	Very high	0 Å²	0	10.8 Å²	10.8	0%	0	7%	0.07	C	C	.	.	G	3₁₀ helix	trans	-57.2	-25.7	-170.3	67.8	0	0	0	0	114.7	F282 P304 G309 A310 N350 F352 T353 I375 I427	F282-V307 HydrophobicContact CD1-CG2 4.4Å; F282-V307 HydrophobicContact CD2-CG2 3.81Å; F282-V307 HydrophobicContact CE1-CG1 4.46Å; F282-V307 HydrophobicContact CE1-CG2 4.35Å; F282-V307 HydrophobicContact CE2-CB 3.96Å; F282-V307 HydrophobicContact CE2-CG1 4.47Å; F282-V307 HydrophobicContact CE2-CG2 3.76Å; F282-V307 HydrophobicContact CG-CG2 4.13Å; F282-V307 HydrophobicContact CZ-CB 4.07Å; F282-V307 HydrophobicContact CZ-CG1 4.06Å; F282-V307 HydrophobicContact CZ-CG2 4.04Å; P304-V307 WeakPolarHBondContact O-CB 3.19Å; P304-V307 WeakPolarHBondContact O-CG1 3.38Å; P304-V307 PolarHBondContact O-N 3.06Å; V307-G309 PolarHBondContact O-N 3.18Å; V307-A310 WeakPolarHBondContact O-CB 3.48Å; V307-A310 PolarHBondContact O-N 2.84Å; V307-N350 WeakPolarHBondContact CG2-ND2 3.4Å; V307-F352 HydrophobicContact CG1-CD1 3.85Å; V307-F352 HydrophobicContact CG1-CE1 3.88Å; V307-T353 HydrophobicContact CB-CG2 4.45Å; V307-T353 HydrophobicContact CG1-CG2 3.81Å; V307-T353 HydrophobicContact CG2-CG2 4.06Å; V307-I375 HydrophobicContact CG2-CD1 4.39Å; V307-I427 HydrophobicContact CG1-CG2 4.06Å
308	Y	97.9	Very high	97	Very high	7 Å²	7	13.6 Å²	13.6	3%	0.027	9%	0.09	C	C	.	.	G	3₁₀ helix	trans	-70.6	-14.7	174.7	-77.4	-85.5	0	0	0	114	M306 F352 T353 Q355 Q413 F415	M306-Y308 PolarHBondContact O-N 3.4Å; Y308-F352 AromaticContact CE2-CE1 3.78Å; Y308-F352 HydrophobicContact CE2-CE1 3.78Å; Y308-T353 HydrophobicContact CD1-CG2 3.76Å; Y308-T353 HydrophobicContact CD2-CG2 4.06Å; Y308-T353 HydrophobicContact CE1-CG2 3.74Å; Y308-T353 HydrophobicContact CE2-CG2 4.04Å; Y308-T353 HydrophobicContact CG-CG2 3.92Å; Y308-Q355 PolarHBondContact O-NE2 2.98Å; Y308-Q355 PolarHBondContact O-OE1 3.01Å; Y308-Q355 VanDerWaalsContact O-OE1 3.1Å; Y308-Q413 HydrophobicContact CD1-CG 4.37Å; Y308-Q413 HydrophobicContact CE1-CB 4.42Å; Y308-Q413 HydrophobicContact CE1-CG 3.71Å; Y308-Q413 PolarHBondContact OH-OE1 2.9Å; Y308-F415 AromaticContact CE2-CD2 3.72Å; Y308-F415 HydrophobicContact CE2-CD2 3.72Å; Y308-F415 HydrophobicContact CE2-CE2 4Å
309	G	97.6	Very high	96.9	Very high	2 Å²	2	11.5 Å²	11.5	2%	0.021	8%	0.075	C	C	.	.	G	3₁₀ helix	trans	-96.8	12.5	175.7	0	0	0	0	0	113.6	M306 V307 A311 T396	M306-G309 PolarHBondContact O-N 2.87Å; V307-G309 PolarHBondContact O-N 3.18Å; G309-A311 PolarHBondContact O-N 2.98Å; G309-T396 WeakPolarHBondContact CA-O 2.97Å
310	A	98.2	Very high	96.6	Very high	9 Å²	9	14 Å²	14	7%	0.074	8%	0.084	C	C	.	.			trans	-58.2	126.5	177.4	0	0	0	0	0	111.3	V307 V357 I375 L377	V307-A310 WeakPolarHBondContact O-CB 3.48Å; V307-A310 PolarHBondContact O-N 2.84Å; A310-V357 HydrophobicContact CB-CG1 4.29Å; A310-V357 WeakPolarHBondContact O-CG1 3.32Å; A310-I375 HydrophobicContact CB-CG2 3.5Å; A310-L377 HydrophobicContact CB-CD2 4.46Å
311	A	98.3	Very high	96.4	Very high	2 Å²	2	13.4 Å²	13.4	2%	0.017	8%	0.082	C	C	.	.			trans	-96.1	-34	179.6	0	0	0	0	0	112.7	G309 P358 G376 P378 A388 W395	G309-A311 PolarHBondContact O-N 2.98Å; A311-P358 WeakPolarHBondContact O-CD 3.26Å; A311-G376 PolarHBondContact N-O 3.38Å; A311-P378 HydrophobicContact CB-CG 3.6Å; A311-A388 HydrophobicContact CB-CB 4.34Å; A311-W395 HydrophobicContact CB-CB 3.63Å; A311-W395 HydrophobicContact CB-CG 4.27Å
312	Y	98.6	Very high	96.1	Very high	4 Å²	4	13.5 Å²	13.5	2%	0.016	8%	0.082	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-162.2	168	-177.9	57.6	-91.3	0	0	0	110.5	A314 P358 V360 G376 D384 V387 A388 L393	Y312-A314 HydrophobicContact CD2-CB 3.98Å; Y312-A314 HydrophobicContact CE2-CB 3.7Å; Y312-P358 WeakPolarHBondContact CA-O 3.45Å; Y312-P358 WeakPolarHBondContact CB-O 3.41Å; Y312-V360 HydrophobicContact CD2-CB 4.21Å; Y312-V360 HydrophobicContact CD2-CG2 4.18Å; Y312-V360 HydrophobicContact CG-CG2 4.09Å; Y312-G376 PolarHBondContact O-N 3.06Å; Y312-D384 WeakPolarHBondContact OH-CA 3.4Å; Y312-D384 WeakPolarHBondContact OH-CB 3.11Å; Y312-D384 PolarHBondContact OH-OD1 2.98Å; Y312-V387 HydrophobicContact CE1-CB 4.16Å; Y312-V387 HydrophobicContact CE1-CG1 3.9Å; Y312-V387 HydrophobicContact CE2-CG1 4.27Å; Y312-V387 WeakPolarHBondContact OH-CB 3.2Å; Y312-A388 HydrophobicContact CE1-CB 4.24Å; Y312-L393 HydrophobicContact CD1-CD1 3.69Å; Y312-L393 HydrophobicContact CG-CD1 4.08Å
313	L	98.4	Very high	95.6	Very high	1 Å²	1	14.4 Å²	14.4	1%	0.005	8%	0.079	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	130	159.1	-63.1	-172.1	0	0	0	109.3	F284 L297 A299 A348 V357 P358 V359 V360 V374 I375	F284-L313 HydrophobicContact CB-CD1 4.02Å; F284-L313 HydrophobicContact CD1-CD1 3.8Å; F284-L313 HydrophobicContact CD1-CD2 4.28Å; F284-L313 HydrophobicContact CD1-CG 4.29Å; F284-L313 HydrophobicContact CD2-CD1 3.9Å; F284-L313 HydrophobicContact CD2-CD2 4.29Å; F284-L313 HydrophobicContact CE1-CD1 4.21Å; F284-L313 HydrophobicContact CE1-CD2 3.83Å; F284-L313 HydrophobicContact CE1-CG 4.26Å; F284-L313 HydrophobicContact CE2-CD1 4.34Å; F284-L313 HydrophobicContact CE2-CD2 3.89Å; F284-L313 HydrophobicContact CG-CD1 3.65Å; F284-L313 HydrophobicContact CZ-CD2 3.66Å; L297-L313 HydrophobicContact CD2-CD1 3.91Å; A299-L313 HydrophobicContact CB-CD1 4.39Å; A299-L313 HydrophobicContact CB-CD2 3.79Å; L313-A348 HydrophobicContact CD1-CB 3.45Å; L313-A348 VanDerWaalsContact CD1-CB 3.45Å; L313-A348 HydrophobicContact CG-CB 4.15Å; L313-V357 HydrophobicContact CD2-CG2 4.42Å; L313-V357 HydrophobicContact CG-CG2 3.97Å; L313-P358 PolarHBondContact N-O 3.25Å; L313-V359 CarbonylContact O-C 3.58Å; L313-V359 WeakPolarHBondContact O-CA 3.33Å; L313-V360 PolarHBondContact O-N 3.49Å; L313-V374 WeakPolarHBondContact CA-O 3.49Å; L313-I375 HydrophobicContact CD2-CB 4.28Å; L313-I375 HydrophobicContact CD2-CG1 3.73Å; L313-I375 HydrophobicContact CD2-CG2 4.42Å
314	A	98.3	Very high	94.9	Very high	6 Å²	6	15 Å²	15	5%	0.05	9%	0.085	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	131.4	171.9	0	0	0	0	0	110.4	Y312 V360 F367 A373 V374	Y312-A314 HydrophobicContact CD2-CB 3.98Å; Y312-A314 HydrophobicContact CE2-CB 3.7Å; A314-V360 WeakPolarHBondContact CA-O 3.39Å; A314-F367 HydrophobicContact CB-CE1 4.48Å; A314-F367 HydrophobicContact CB-CZ 3.85Å; A314-A373 CarbonylContact O-C 3.55Å; A314-A373 VanDerWaalsContact O-CA 3.32Å; A314-A373 WeakPolarHBondContact O-CA 3.41Å; A314-V374 HydrophobicContact CB-CG2 3.95Å; A314-V374 PolarHBondContact N-O 3.47Å; A314-V374 PolarHBondContact O-N 2.84Å
315	I	97.6	Very high	94.3	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	149	172.3	61.6	175.8	0	0	0	110.1	L297 H319 L321 L322 L332 V359 V360 I361 S362 D372 A373	L297-I315 HydrophobicContact CD2-CG2 3.94Å; I315-H319 HydrophobicContact CB-CB 4.06Å; I315-L321 HydrophobicContact CD1-CB 4.41Å; I315-L321 HydrophobicContact CD1-CD1 4.4Å; I315-L322 HydrophobicContact CD1-CD1 3.57Å; I315-L322 HydrophobicContact CG1-CD1 4.23Å; I315-L332 HydrophobicContact CD1-CD1 4.08Å; I315-V359 HydrophobicContact CD1-CG1 3.94Å; I315-V359 HydrophobicContact CG1-CG1 4.16Å; I315-V359 HydrophobicContact CG2-CG1 4.47Å; I315-V360 PolarHBondContact N-O 2.83Å; I315-I361 HydrophobicContact CD1-CG1 4.41Å; I315-I361 HydrophobicContact CG1-CG1 4.29Å; I315-S362 PolarHBondContact O-N 2.88Å; I315-D372 WeakPolarHBondContact CA-O 3.41Å; I315-A373 HydrophobicContact CG2-CB 4Å
316	L	95.7	Very high	94	Very high	10 Å²	10	19.2 Å²	19.2	5%	0.052	12%	0.117	C	C	.	.			trans	-71.1	153.5	174.2	-67.2	178.1	0	0	0	111.6	S318 H319 K364 F367 L371 D372	L316-S318 PolarHBondContact O-N 3.1Å; L316-S318 VanDerWaalsContact O-N 3.14Å; L316-H319 WeakPolarHBondContact O-CB 3.18Å; L316-H319 PolarHBondContact O-N 2.58Å; L316-K364 HydrophobicContact CD2-CB 4.34Å; L316-K364 WeakPolarHBondContact CD2-O 3.18Å; L316-F367 HydrophobicContact CD1-CD2 4.17Å; L316-F367 HydrophobicContact CD2-CD1 3.96Å; L316-F367 HydrophobicContact CD2-CD2 3.71Å; L316-F367 HydrophobicContact CD2-CE1 3.93Å; L316-F367 HydrophobicContact CD2-CE2 3.67Å; L316-F367 HydrophobicContact CD2-CG 3.85Å; L316-F367 HydrophobicContact CD2-CZ 3.76Å; L316-F367 HydrophobicContact CG-CD2 3.64Å; L316-F367 HydrophobicContact CG-CE2 3.61Å; L316-F367 HydrophobicContact CG-CG 4.23Å; L316-F367 HydrophobicContact CG-CZ 4.18Å; L316-L371 WeakPolarHBondContact CD1-O 3.4Å; L316-D372 HydrophobicContact CD1-CB 4.36Å; L316-D372 PolarHBondContact N-O 3.39Å
317	P	94.4	Very high	93.8	Very high	25 Å²	25	22.6 Å²	22.6	16%	0.162	14%	0.14	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.2	-26.7	170.4	-27.3	36.7	0	0	0	113.9	H319 H323 F336 I361 S362 K364	P317-H319 VanDerWaalsContact C-N 3.35Å; P317-H323 PolarHBondContact O-CD2 2.97Å; P317-H323 PolarHBondContact O-NE2 2.52Å; P317-F336 HydrophobicContact CB-CE2 3.68Å; P317-F336 HydrophobicContact CB-CZ 3.66Å; P317-F336 HydrophobicContact CG-CE2 3.7Å; P317-F336 HydrophobicContact CG-CZ 4.04Å; P317-I361 HydrophobicContact CG-CG2 4.19Å; P317-S362 WeakPolarHBondContact CD-O 3.39Å; P317-S362 VanDerWaalsContact CG-O 3.31Å; P317-S362 WeakPolarHBondContact CG-O 3.39Å; P317-K364 WeakPolarHBondContact CD-O 3.3Å
318	S	90.4	Very high	93.6	Very high	65 Å²	65	22.7 Å²	22.7	46%	0.455	14%	0.141	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.5	-4.5	177.2	55.3	0	0	0	0	114.1	L316 H323	L316-S318 PolarHBondContact O-N 3.1Å; L316-S318 VanDerWaalsContact O-N 3.14Å; S318-H323 PolarHBondContact O-CD2 3.35Å
319	H	92.6	Very high	93.5	Very high	7 Å²	7	27.4 Å²	27.4	3%	0.032	16%	0.159	C	C	.	.	S	Bend	trans	-63.7	145.7	-174.8	-172.6	-95.5	0	0	0	112.5	I315 L316 P317 L321 L322 H323 D372	I315-H319 HydrophobicContact CB-CB 4.06Å; L316-H319 WeakPolarHBondContact O-CB 3.18Å; L316-H319 PolarHBondContact O-N 2.58Å; P317-H319 VanDerWaalsContact C-N 3.35Å; H319-L321 VanDerWaalsContact CE1-CG 3.43Å; H319-L321 WeakPolarHBondContact CE1-CG 3.34Å; H319-L321 WeakPolarHBondContact ND1-CG 3.38Å; H319-L321 PolarHBondContact ND1-N 3.11Å; H319-L321 PolarHBondContact O-N 2.77Å; H319-L322 HydrophobicContact CB-CD1 4.26Å; H319-L322 PolarHBondContact O-N 3.1Å; H319-H323 PolarHBondContact O-CD2 2.84Å; H319-H323 PolarHBondContact O-N 2.9Å; H319-D372 PolarHBondContact CD2-O 2.78Å; H319-D372 IonicContact CD2-OD1 2.81Å; H319-D372 IonicContact CD2-OD2 3.35Å; H319-D372 PolarHBondContact CD2-OD2 3.26Å; H319-D372 IonicContact NE2-OD2 2.78Å
320	R	91.2	Very high	93.3	Very high	53 Å²	53	30.4 Å²	30.4	20%	0.2	18%	0.179	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.8	-20.3	-177.3	70.4	169.9	-172.2	81.5	2.7	115.2	E203 E295 T296 L322 H323	E203-R320 WeakPolarHBondContact O-CD 3.24Å; E295-R320 IonicContact OE2-NH1 3.86Å; T296-R320 PolarHBondContact O-NH2 3.02Å; R320-L322 VanDerWaalsContact C-N 3.26Å; R320-L322 PolarHBondContact O-N 3.41Å; R320-H323 CarbonylContact C-O 3.56Å; R320-H323 VanDerWaalsContact C-O 3.3Å; R320-H323 VanDerWaalsContact CA-O 3.3Å; R320-H323 WeakPolarHBondContact CA-O 3.35Å; R320-H323 CarbonylContact O-C 3.53Å; R320-H323 VanDerWaalsContact O-C 3.24Å; R320-H323 PolarHBondContact O-N 3.33Å
321	L	93.1	Very high	93.2	Very high	1 Å²	1	31.7 Å²	31.7	1%	0.005	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.5	-26.7	177	-65	172.5	0	0	0	111.3	L286 L297 I315 H319 S326 V328 R329 L332	L286-L321 HydrophobicContact CD1-CD1 3.86Å; L286-L321 HydrophobicContact CD1-CD2 3.92Å; L297-L321 HydrophobicContact CD1-CD1 4.2Å; L297-L321 HydrophobicContact CD2-CD1 4.03Å; I315-L321 HydrophobicContact CD1-CB 4.41Å; I315-L321 HydrophobicContact CD1-CD1 4.4Å; H319-L321 VanDerWaalsContact CE1-CG 3.43Å; H319-L321 WeakPolarHBondContact CE1-CG 3.34Å; H319-L321 WeakPolarHBondContact ND1-CG 3.38Å; H319-L321 PolarHBondContact ND1-N 3.11Å; H319-L321 PolarHBondContact O-N 2.77Å; L321-S326 WeakPolarHBondContact CD2-OG 3.42Å; L321-V328 HydrophobicContact CB-CG2 4.4Å; L321-V328 HydrophobicContact CD2-CG2 4.14Å; L321-R329 VanDerWaalsContact O-CA 3.28Å; L321-R329 WeakPolarHBondContact O-CA 3.49Å; L321-L332 HydrophobicContact CB-CD1 3.45Å; L321-L332 VanDerWaalsContact CB-CD1 3.45Å
322	L	92.6	Very high	93.1	Very high	3 Å²	3	31.7 Å²	31.7	2%	0.016	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.1	-20.5	171.5	-69.8	92.2	0	0	0	112.5	I315 H319 R320 R329 L332 Q333 F336 I361	I315-L322 HydrophobicContact CD1-CD1 3.57Å; I315-L322 HydrophobicContact CG1-CD1 4.23Å; H319-L322 HydrophobicContact CB-CD1 4.26Å; H319-L322 PolarHBondContact O-N 3.1Å; R320-L322 VanDerWaalsContact C-N 3.26Å; R320-L322 PolarHBondContact O-N 3.41Å; L322-R329 WeakPolarHBondContact O-CG 3.22Å; L322-L332 HydrophobicContact CD1-CD1 4.38Å; L322-L332 HydrophobicContact CG-CB 4.04Å; L322-L332 HydrophobicContact CG-CD1 4.5Å; L322-Q333 PolarHBondContact O-NE2 3.44Å; L322-F336 HydrophobicContact CD2-CB 4.31Å; L322-F336 HydrophobicContact CD2-CG 4.28Å; L322-I361 HydrophobicContact CD1-CG1 4.49Å; L322-I361 HydrophobicContact CD2-CD1 4.05Å; L322-I361 HydrophobicContact CD2-CG1 4.45Å; L322-I361 HydrophobicContact CD2-CG2 4.29Å
323	H	85.8	Confident	92.9	Very high	86 Å²	86	36 Å²	36	40%	0.398	21%	0.205	S	C	.	.	S	Bend	trans	-134.6	112	-172.2	-54.1	-70.8	0	0	0	110.9	L238 P317 S318 H319 R320	L238-H323 HydrophobicContact CD2-CB 4.37Å; L238-H323 VanDerWaalsContact CD2-O 3.26Å; L238-H323 WeakPolarHBondContact CD2-O 3.39Å; P317-H323 PolarHBondContact O-CD2 2.97Å; P317-H323 PolarHBondContact O-NE2 2.52Å; S318-H323 PolarHBondContact O-CD2 3.35Å; H319-H323 PolarHBondContact O-CD2 2.84Å; H319-H323 PolarHBondContact O-N 2.9Å; R320-H323 CarbonylContact C-O 3.56Å; R320-H323 VanDerWaalsContact C-O 3.3Å; R320-H323 VanDerWaalsContact CA-O 3.3Å; R320-H323 WeakPolarHBondContact CA-O 3.35Å; R320-H323 CarbonylContact O-C 3.53Å; R320-H323 VanDerWaalsContact O-C 3.24Å; R320-H323 PolarHBondContact O-N 3.33Å
324	G	81.9	Confident	92.8	Very high	19 Å²	19	43.1 Å²	43.1	20%	0.196	24%	0.238	C	C	.	.	S	Bend	trans	131.8	-144.4	179.2	0	0	0	0	0	113.1	R329	G324-R329 WeakPolarHBondContact O-CD 3.32Å; G324-R329 PolarHBondContact O-NH1 3.4Å
325	S	86.1	Confident	92.6	Very high	93 Å²	93	44 Å²	44	65%	0.65	25%	0.245	S	C	*	.	S	Bend	trans	-98.4	3.7	-171.9	70	0	0	0	0	115.2	E203	E203-S325 VanDerWaalsContact CD-OG 3.26Å; E203-S325 PolarHBondContact OE1-N 3.42Å; E203-S325 WeakPolarHBondContact OE2-CB 3.2Å; E203-S325 PolarHBondContact OE2-N 3.05Å; E203-S325 PolarHBondContact OE2-OG 3.42Å
326	S	90.8	Very high	92.5	Very high	10 Å²	10	47.1 Å²	47.1	7%	0.07	26%	0.259	C	S	.	.			trans	-57.4	140.3	-176.1	-175.9	0	0	0	0	113.4	E295 L321 V328 R329	E295-S326 VanDerWaalsContact CD-OG 3.27Å; E295-S326 PolarHBondContact OE1-OG 3.41Å; E295-S326 WeakPolarHBondContact OE2-CB 3.12Å; E295-S326 PolarHBondContact OE2-OG 2.99Å; L321-S326 WeakPolarHBondContact CD2-OG 3.42Å; S326-V328 VanDerWaalsContact C-N 3.25Å; S326-V328 PolarHBondContact O-N 2.97Å; S326-V328 VanDerWaalsContact OG-CG2 3.28Å; S326-V328 WeakPolarHBondContact OG-CG2 3.09Å; S326-V328 PolarHBondContact OG-N 2.86Å; S326-R329 VanDerWaalsContact O-CB 3.25Å; S326-R329 WeakPolarHBondContact O-CB 3.48Å; S326-R329 PolarHBondContact O-N 3.25Å
327	S	91.9	Very high	92.5	Very high	72 Å²	72	51.9 Å²	51.9	50%	0.503	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.7	-24.7	178.1	68.2	0	0	0	0	113.1	E295	E295-S327 VanDerWaalsContact OE1-CB 3.29Å; E295-S327 WeakPolarHBondContact OE1-CB 3.23Å; E295-S327 PolarHBondContact OE1-N 3.38Å; E295-S327 PolarHBondContact OE1-OG 2.93Å
328	V	94.2	Very high	92.4	Very high	1 Å²	1	55.9 Å²	55.9	1%	0.006	31%	0.307	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.7	-0.6	179.3	-62.4	0	0	0	0	113.5	L286 V288 T293 L321 S326 S330 L331 L332 V346	L286-V328 HydrophobicContact CD1-CG2 4.21Å; V288-V328 HydrophobicContact CG2-CG1 3.82Å; T293-V328 HydrophobicContact CG2-CG1 3.83Å; L321-V328 HydrophobicContact CB-CG2 4.4Å; L321-V328 HydrophobicContact CD2-CG2 4.14Å; S326-V328 VanDerWaalsContact C-N 3.25Å; S326-V328 PolarHBondContact O-N 2.97Å; S326-V328 VanDerWaalsContact OG-CG2 3.28Å; S326-V328 WeakPolarHBondContact OG-CG2 3.09Å; S326-V328 PolarHBondContact OG-N 2.86Å; V328-S330 PolarHBondContact O-N 3.06Å; V328-L331 PolarHBondContact O-N 2.62Å; V328-L332 HydrophobicContact CG2-CD1 3.79Å; V328-L332 HydrophobicContact CG2-CG 4.32Å; V328-L332 WeakPolarHBondContact O-CG 3.38Å; V328-L332 PolarHBondContact O-N 2.84Å; V328-L332 VanDerWaalsContact O-N 3.12Å; V328-V346 HydrophobicContact CB-CG2 3.94Å; V328-V346 HydrophobicContact CG1-CG1 4.18Å; V328-V346 HydrophobicContact CG1-CG2 4.14Å
329	R	95	Very high	92.5	Very high	107 Å²	107	55.8 Å²	55.8	40%	0.404	32%	0.316	S	S	.	.	H	α-helix	trans	-54.3	-49.2	-171.5	-174.7	-174.1	76.1	-179.1	5.2	113.9	L321 L322 G324 S326 L331 L332 Q333	L321-R329 VanDerWaalsContact O-CA 3.28Å; L321-R329 WeakPolarHBondContact O-CA 3.49Å; L322-R329 WeakPolarHBondContact O-CG 3.22Å; G324-R329 WeakPolarHBondContact O-CD 3.32Å; G324-R329 PolarHBondContact O-NH1 3.4Å; S326-R329 VanDerWaalsContact O-CB 3.25Å; S326-R329 WeakPolarHBondContact O-CB 3.48Å; S326-R329 PolarHBondContact O-N 3.25Å; R329-L331 VanDerWaalsContact C-N 3.28Å; R329-L331 PolarHBondContact O-N 2.69Å; R329-L332 PolarHBondContact O-N 3.45Å; R329-Q333 HydrophobicContact CG-CG 4.31Å; R329-Q333 WeakPolarHBondContact O-CB 3.45Å; R329-Q333 WeakPolarHBondContact O-CG 3.48Å; R329-Q333 PolarHBondContact O-N 3.08Å
330	S	94.6	Very high	92.5	Very high	64 Å²	64	63.4 Å²	63.4	45%	0.448	34%	0.344	S	S	.	.	H	α-helix	trans	-62.7	-37.1	-176.7	53.4	0	0	0	0	112.3	V328 Q334	V328-S330 PolarHBondContact O-N 3.06Å; S330-Q334 WeakPolarHBondContact O-CB 3.33Å; S330-Q334 WeakPolarHBondContact O-CG 3.31Å; S330-Q334 PolarHBondContact O-N 3.18Å
331	L	94.9	Very high	92.8	Very high	37 Å²	37	62.8 Å²	62.8	19%	0.194	35%	0.345	C	S	.	.	H	α-helix	trans	-68.5	-44.4	178.3	-63	171.1	0	0	0	110.9	V288 V328 R329 Q334 A335 V346	V288-L331 HydrophobicContact CB-CD1 4.35Å; V288-L331 HydrophobicContact CG1-CD1 3.63Å; V288-L331 HydrophobicContact CG2-CD1 3.71Å; V328-L331 PolarHBondContact O-N 2.62Å; R329-L331 VanDerWaalsContact C-N 3.28Å; R329-L331 PolarHBondContact O-N 2.69Å; L331-Q334 PolarHBondContact O-N 2.82Å; L331-A335 PolarHBondContact O-N 3.2Å; L331-A335 VanDerWaalsContact O-N 3.1Å; L331-V346 HydrophobicContact CB-CG2 4.34Å; L331-V346 HydrophobicContact CD1-CG2 4.49Å
332	L	96.1	Very high	93	Very high	1 Å²	1	63.2 Å²	63.2	1%	0.005	35%	0.348	C	S	.	.	H	α-helix	trans	-64.5	-42.4	177.3	-62.9	178	0	0	0	111.7	I315 L321 L322 V328 R329 Q334 A335 F336 T344 V346 I361	I315-L332 HydrophobicContact CD1-CD1 4.08Å; L321-L332 HydrophobicContact CB-CD1 3.45Å; L321-L332 VanDerWaalsContact CB-CD1 3.45Å; L322-L332 HydrophobicContact CD1-CD1 4.38Å; L322-L332 HydrophobicContact CG-CB 4.04Å; L322-L332 HydrophobicContact CG-CD1 4.5Å; V328-L332 HydrophobicContact CG2-CD1 3.79Å; V328-L332 HydrophobicContact CG2-CG 4.32Å; V328-L332 WeakPolarHBondContact O-CG 3.38Å; V328-L332 PolarHBondContact O-N 2.84Å; V328-L332 VanDerWaalsContact O-N 3.12Å; R329-L332 PolarHBondContact O-N 3.45Å; L332-Q334 VanDerWaalsContact C-N 3.33Å; L332-Q334 PolarHBondContact O-N 2.82Å; L332-A335 PolarHBondContact O-N 2.93Å; L332-F336 WeakPolarHBondContact O-CB 3.33Å; L332-F336 PolarHBondContact O-N 3.47Å; L332-T344 HydrophobicContact CD2-CG2 3.68Å; L332-V346 HydrophobicContact CD2-CB 4.22Å; L332-V346 HydrophobicContact CD2-CG2 3.75Å; L332-V346 HydrophobicContact CG-CG2 4.22Å; L332-I361 HydrophobicContact CB-CD1 4.28Å; L332-I361 HydrophobicContact CD2-CD1 4.48Å; L332-I361 VanDerWaalsContact O-CD1 3.26Å; L332-I361 WeakPolarHBondContact O-CD1 3.27Å
333	Q	95.4	Very high	93.2	Very high	96 Å²	96	67 Å²	67	45%	0.449	37%	0.367	S	S	.	.	H	α-helix	trans	-64.8	-34.8	177.3	-73.9	179.2	-17.1	0	0	112.9	L322 R329	L322-Q333 PolarHBondContact O-NE2 3.44Å; R329-Q333 HydrophobicContact CG-CG 4.31Å; R329-Q333 WeakPolarHBondContact O-CB 3.45Å; R329-Q333 WeakPolarHBondContact O-CG 3.48Å; R329-Q333 PolarHBondContact O-N 3.08Å
334	Q	95.4	Very high	93.7	Very high	149 Å²	149	63.5 Å²	63.5	70%	0.696	35%	0.352	S	S	*	.	H	α-helix	trans	-69.6	-36	175.5	-76	170.2	4.2	0	0	112.5	S330 L331 L332	S330-Q334 WeakPolarHBondContact O-CB 3.33Å; S330-Q334 WeakPolarHBondContact O-CG 3.31Å; S330-Q334 PolarHBondContact O-N 3.18Å; L331-Q334 PolarHBondContact O-N 2.82Å; L332-Q334 VanDerWaalsContact C-N 3.33Å; L332-Q334 PolarHBondContact O-N 2.82Å
335	A	94.8	Very high	94.3	Very high	24 Å²	24	68.6 Å²	68.6	20%	0.198	37%	0.371	C	S	.	.	H	α-helix	trans	-76.7	-25.5	178.2	0	0	0	0	0	113.1	L331 L332 Q337 C342 T344	L331-A335 PolarHBondContact O-N 3.2Å; L331-A335 VanDerWaalsContact O-N 3.1Å; L332-A335 PolarHBondContact O-N 2.93Å; A335-Q337 PolarHBondContact O-N 3.2Å; A335-C342 WeakPolarHBondContact O-CB 3.38Å; A335-T344 HydrophobicContact CB-CG2 3.94Å
336	F	96.2	Very high	94.9	Very high	67 Å²	67	64.2 Å²	64.2	29%	0.294	34%	0.34	S	S	.	.			trans	-66.2	124.8	-173	-179.7	-125.3	0	0	0	113.3	P317 L322 L332 P338 I361	P317-F336 HydrophobicContact CB-CE2 3.68Å; P317-F336 HydrophobicContact CB-CZ 3.66Å; P317-F336 HydrophobicContact CG-CE2 3.7Å; P317-F336 HydrophobicContact CG-CZ 4.04Å; L322-F336 HydrophobicContact CD2-CB 4.31Å; L322-F336 HydrophobicContact CD2-CG 4.28Å; L332-F336 WeakPolarHBondContact O-CB 3.33Å; L332-F336 PolarHBondContact O-N 3.47Å; F336-P338 HydrophobicContact CE1-CG 4Å; F336-P338 HydrophobicContact CZ-CB 4.43Å; F336-P338 HydrophobicContact CZ-CG 4.16Å; F336-I361 HydrophobicContact CB-CD1 3.95Å; F336-I361 HydrophobicContact CD2-CB 4.43Å; F336-I361 HydrophobicContact CD2-CD1 4.46Å; F336-I361 HydrophobicContact CD2-CG2 3.61Å; F336-I361 HydrophobicContact CE2-CG2 4.01Å
337	Q	94.3	Very high	95.2	Very high	110 Å²	110	65.3 Å²	65.3	51%	0.514	35%	0.347	S	S	.	.			trans	-125.8	118.5	170.9	-59.8	179.7	17.2	0	0	109.3	A335 G339 R340 C342	A335-Q337 PolarHBondContact O-N 3.2Å; Q337-G339 PolarHBondContact O-N 3.28Å; Q337-R340 PolarHBondContact O-N 3.48Å; Q337-C342 PolarHBondContact N-SG 3.47Å
338	P	92.9	Very high	95.5	Very high	109 Å²	109	61.9 Å²	61.9	71%	0.708	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.8	135.9	-178.6	-27.2	34.7	0	0	0	113.2	F336 R340	F336-P338 HydrophobicContact CE1-CG 4Å; F336-P338 HydrophobicContact CZ-CB 4.43Å; F336-P338 HydrophobicContact CZ-CG 4.16Å; P338-R340 VanDerWaalsContact C-N 3.33Å; P338-R340 PolarHBondContact O-N 3.34Å
339	G	92.3	Very high	95.7	Very high	63 Å²	63	63.4 Å²	63.4	65%	0.649	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	76	12.8	176.2	0	0	0	0	0	115.4	Q337	Q337-G339 PolarHBondContact O-N 3.28Å
340	R	94	Very high	95.8	Very high	167 Å²	167	58.4 Å²	58.4	63%	0.63	31%	0.312	S	S	*	.	S	Bend	trans	-138.4	148.1	176.1	-65.4	-174.1	176.3	-175.5	-1.9	111.8	Q337 P338 C342 H363	Q337-R340 PolarHBondContact O-N 3.48Å; P338-R340 VanDerWaalsContact C-N 3.33Å; P338-R340 PolarHBondContact O-N 3.34Å; R340-C342 PolarHBondContact O-N 3.35Å; R340-C342 PolarHBondContact O-SG 3.19Å; R340-H363 VanDerWaalsContact C-CB 3.47Å
341	D	97.1	Very high	96	Very high	40 Å²	40	61 Å²	61	21%	0.214	31%	0.312	C	S	.	.			trans	-70.1	128	169.9	-59.7	-54.1	0	0	0	108.7	V360 I361 S362 H363 V387 L391	D341-V360 HydrophobicContact CB-CG1 4.25Å; D341-I361 CarbonylContact C-O 3.24Å; D341-I361 WeakPolarHBondContact CA-O 3.39Å; D341-S362 WeakPolarHBondContact OD1-CA 3.3Å; D341-H363 VanDerWaalsContact CG-ND1 3.26Å; D341-H363 IonicContact OD1-CE1 3.62Å; D341-H363 IonicContact OD1-CG 3.2Å; D341-H363 PolarHBondContact OD1-N 2.96Å; D341-H363 IonicContact OD1-ND1 3.46Å; D341-H363 PolarHBondContact OD1-ND1 2.85Å; D341-H363 IonicContact OD2-CE1 3.67Å; D341-H363 IonicContact OD2-ND1 2.84Å; D341-H363 PolarHBondContact OD2-ND1 2.78Å; D341-V387 HydrophobicContact CB-CG1 4.41Å; D341-L391 HydrophobicContact CB-CD1 4.15Å
342	C	97.1	Very high	96.1	Very high	9 Å²	9	60 Å²	60	6%	0.061	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	113.4	-172.6	-59.6	0	0	0	0	110.3	A335 Q337 R340 V360 I361	A335-C342 WeakPolarHBondContact O-CB 3.38Å; Q337-C342 PolarHBondContact N-SG 3.47Å; R340-C342 PolarHBondContact O-N 3.35Å; R340-C342 PolarHBondContact O-SG 3.19Å; C342-V360 WeakPolarHBondContact O-CA 3.45Å; C342-I361 HydrophobicContact CB-CB 4.25Å; C342-I361 PolarHBondContact N-O 3.29Å; C342-I361 PolarHBondContact O-N 3.47Å
343	L	97.1	Very high	96.2	Very high	82 Å²	82	60.4 Å²	60.4	43%	0.429	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.3	136	168.2	-177.9	60.7	0	0	0	109.8	P358 V360 L391 L393	L343-P358 HydrophobicContact CD1-CB 3.51Å; L343-P358 HydrophobicContact CD1-CG 4.12Å; L343-V360 HydrophobicContact CD1-CG2 4.22Å; L343-L391 HydrophobicContact CB-CD2 4.48Å; L343-L393 HydrophobicContact CD1-CD2 3.99Å; L343-L393 HydrophobicContact CD2-CD2 4.18Å
344	T	96.3	Very high	96.2	Very high	13 Å²	13	58.3 Å²	58.3	8%	0.08	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	163.9	-177.9	78.8	0	0	0	0	111.7	L332 A335 V346 V359 I361	L332-T344 HydrophobicContact CD2-CG2 3.68Å; A335-T344 HydrophobicContact CB-CG2 3.94Å; T344-V346 PolarHBondContact O-N 3.46Å; T344-V346 PolarHBondContact OG1-N 3.2Å; T344-V346 PolarHBondContact OG1-O 2.84Å; T344-V359 WeakPolarHBondContact CB-O 3.48Å; T344-V359 WeakPolarHBondContact CG2-O 3.33Å; T344-V359 PolarHBondContact N-O 2.87Å; T344-V359 PolarHBondContact OG1-O 3.16Å; T344-I361 HydrophobicContact CG2-CD1 3.72Å; T344-I361 HydrophobicContact CG2-CG1 3.8Å
345	E	94.5	Very high	96.2	Very high	126 Å²	126	53.8 Å²	53.8	59%	0.589	29%	0.292	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-74.6	-3.6	171.6	-61.1	-170.1	135.1	0	0	113.1
346	V	97.5	Very high	96.4	Very high	1 Å²	1	56.6 Å²	56.6	1%	0.006	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	129.1	179.8	-174.2	0	0	0	0	108.9	L286 K287 V288 V328 L331 L332 T344 V359	L286-V346 HydrophobicContact CD2-CG1 4.38Å; K287-V346 WeakPolarHBondContact O-CA 3.29Å; V288-V346 HydrophobicContact CG2-CG2 4.35Å; V328-V346 HydrophobicContact CB-CG2 3.94Å; V328-V346 HydrophobicContact CG1-CG1 4.18Å; V328-V346 HydrophobicContact CG1-CG2 4.14Å; L331-V346 HydrophobicContact CB-CG2 4.34Å; L331-V346 HydrophobicContact CD1-CG2 4.49Å; L332-V346 HydrophobicContact CD2-CB 4.22Å; L332-V346 HydrophobicContact CD2-CG2 3.75Å; L332-V346 HydrophobicContact CG-CG2 4.22Å; T344-V346 PolarHBondContact O-N 3.46Å; T344-V346 PolarHBondContact OG1-N 3.2Å; T344-V346 PolarHBondContact OG1-O 2.84Å; V346-V359 HydrophobicContact CB-CB 4.28Å; V346-V359 HydrophobicContact CB-CG2 4.36Å; V346-V359 HydrophobicContact CG1-CB 4.43Å; V346-V359 HydrophobicContact CG1-CG2 4Å; V346-V359 WeakPolarHBondContact O-CB 3.3Å; V346-V359 PolarHBondContact O-N 3.41Å
347	T	98	Very high	96.4	Very high	33 Å²	33	53.9 Å²	53.9	20%	0.202	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	163.6	172.3	57.4	0	0	0	0	110.5	L286 K287 E356 V357	L286-T347 WeakPolarHBondContact CA-O 3.49Å; K287-T347 VanDerWaalsContact CB-OG1 3.3Å; K287-T347 WeakPolarHBondContact CB-OG1 3.31Å; K287-T347 PolarHBondContact N-O 2.84Å; K287-T347 PolarHBondContact O-N 2.88Å; T347-E356 VanDerWaalsContact CB-OE1 3.3Å; T347-E356 WeakPolarHBondContact CB-OE1 3.25Å; T347-E356 PolarHBondContact OG1-OE1 3.2Å; T347-V357 CarbonylContact C-O 3.57Å; T347-V357 WeakPolarHBondContact CA-O 3.49Å
348	A	98.1	Very high	96.6	Very high	0 Å²	0	50 Å²	50	0%	0	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	116.3	-174.7	0	0	0	0	0	109.6	F284 K285 L286 L313 E356 V357 V359	F284-A348 HydrophobicContact CB-CB 3.93Å; F284-A348 HydrophobicContact CD1-CB 4.04Å; F284-A348 HydrophobicContact CG-CB 4.33Å; K285-A348 WeakPolarHBondContact O-CA 3.31Å; L286-A348 HydrophobicContact CD2-CB 4.11Å; L313-A348 HydrophobicContact CD1-CB 3.45Å; L313-A348 VanDerWaalsContact CD1-CB 3.45Å; L313-A348 HydrophobicContact CG-CB 4.15Å; A348-E356 WeakPolarHBondContact O-CA 3.02Å; A348-V357 HydrophobicContact CB-CG2 4.4Å; A348-V357 PolarHBondContact N-O 3.43Å; A348-V357 PolarHBondContact O-N 3Å; A348-V359 HydrophobicContact CB-CG2 3.91Å
349	L	98.2	Very high	96.9	Very high	34 Å²	34	44.9 Å²	44.9	18%	0.178	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	112	176.9	178	68.2	0	0	0	109.9	F284 K285 R351 G354 E356	F284-L349 CarbonylContact C-O 3.55Å; F284-L349 VanDerWaalsContact CA-O 3.23Å; F284-L349 WeakPolarHBondContact CA-O 3.13Å; K285-L349 HydrophobicContact CB-CB 4.46Å; K285-L349 PolarHBondContact N-O 3.2Å; K285-L349 PolarHBondContact O-N 2.91Å; L349-R351 PolarHBondContact O-N 3.21Å; L349-G354 VanDerWaalsContact CD1-O 3.3Å; L349-G354 WeakPolarHBondContact CD1-O 3.33Å; L349-E356 HydrophobicContact CD1-CB 4.28Å
350	N	98	Very high	97.2	Very high	2 Å²	2	41.9 Å²	41.9	1%	0.011	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.5	119.9	175.1	-171.2	-42.3	0	0	0	110.2	F284 V307 F352 T353 G354 Q355	F284-N350 HydrophobicContact CD1-CB 3.71Å; F284-N350 HydrophobicContact CE1-CB 3.38Å; F284-N350 WeakPolarHBondContact CE1-ND2 3.41Å; F284-N350 HydrophobicContact CZ-CB 4.07Å; F284-N350 VanDerWaalsContact CZ-ND2 3.32Å; F284-N350 WeakPolarHBondContact CZ-ND2 3.44Å; V307-N350 WeakPolarHBondContact CG2-ND2 3.4Å; N350-F352 VanDerWaalsContact C-N 3.26Å; N350-F352 PolarHBondContact O-N 3.22Å; N350-F352 WeakPolarHBondContact OD1-CA 3.16Å; N350-F352 WeakPolarHBondContact OD1-CB 3.25Å; N350-F352 PolarHBondContact OD1-N 2.86Å; N350-T353 VanDerWaalsContact CB-OG1 3.3Å; N350-T353 WeakPolarHBondContact CB-OG1 3.42Å; N350-T353 VanDerWaalsContact CG-OG1 3.32Å; N350-T353 PolarHBondContact OD1-N 3.3Å; N350-T353 VanDerWaalsContact OD1-N 3.08Å; N350-G354 VanDerWaalsContact O-CA 3.26Å; N350-G354 WeakPolarHBondContact O-CA 3.3Å; N350-G354 PolarHBondContact O-N 2.65Å; N350-Q355 WeakPolarHBondContact CB-O 3.26Å; N350-Q355 PolarHBondContact N-O 2.74Å
351	R	97.6	Very high	97.4	Very high	119 Å²	119	33.9 Å²	33.9	45%	0.449	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.5	-18.1	-177	-67	-69.9	-71.7	-161.6	3.1	113.9	D283 K285 L349 V436	D283-R351 VanDerWaalsContact O-CB 3.28Å; D283-R351 WeakPolarHBondContact O-CB 3.47Å; D283-R351 WeakPolarHBondContact O-CG 3.47Å; D283-R351 PolarHBondContact O-N 2.91Å; K285-R351 HydrophobicContact CG-CG 4.12Å; L349-R351 PolarHBondContact O-N 3.21Å; R351-V436 HydrophobicContact CB-CB 3.97Å; R351-V436 HydrophobicContact CB-CG1 3.61Å
352	F	97.9	Very high	97.4	Very high	16 Å²	16	32.3 Å²	32.3	7%	0.07	17%	0.172	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.1	-54.2	174.6	177.9	-108.4	0	0	0	112.2	F282 V307 Y308 N350 F415 I427 K430 A431 V436	F282-F352 HydrophobicContact CD1-CB 3.87Å; F282-F352 HydrophobicContact CD1-CD1 4.38Å; F282-F352 HydrophobicContact CD1-CG 4.21Å; F282-F352 HydrophobicContact CE1-CB 4.15Å; F282-F352 AromaticContact CE1-CD1 3.87Å; F282-F352 HydrophobicContact CE1-CD1 3.87Å; F282-F352 HydrophobicContact CE1-CE1 4.5Å; F282-F352 AromaticContact CE1-CG 3.97Å; F282-F352 HydrophobicContact CE1-CG 3.97Å; V307-F352 HydrophobicContact CG1-CD1 3.85Å; V307-F352 HydrophobicContact CG1-CE1 3.88Å; Y308-F352 AromaticContact CE2-CE1 3.78Å; Y308-F352 HydrophobicContact CE2-CE1 3.78Å; N350-F352 VanDerWaalsContact C-N 3.26Å; N350-F352 PolarHBondContact O-N 3.22Å; N350-F352 WeakPolarHBondContact OD1-CA 3.16Å; N350-F352 WeakPolarHBondContact OD1-CB 3.25Å; N350-F352 PolarHBondContact OD1-N 2.86Å; F352-F415 HydrophobicContact CE1-CE2 4.42Å; F352-F415 AromaticContact CZ-CE2 3.85Å; F352-F415 HydrophobicContact CZ-CE2 3.85Å; F352-F415 HydrophobicContact CZ-CZ 4.04Å; F352-I427 HydrophobicContact CD1-CG2 4.4Å; F352-I427 HydrophobicContact CE1-CB 4.34Å; F352-I427 HydrophobicContact CE1-CG1 4.22Å; F352-I427 HydrophobicContact CE1-CG2 3.57Å; F352-I427 HydrophobicContact CZ-CB 4.18Å; F352-I427 HydrophobicContact CZ-CG1 4.15Å; F352-I427 HydrophobicContact CZ-CG2 3.75Å; F352-K430 HydrophobicContact CE2-CB 3.91Å; F352-K430 HydrophobicContact CE2-CG 3.97Å; F352-K430 HydrophobicContact CZ-CB 4.39Å; F352-A431 HydrophobicContact CD2-CB 3.7Å; F352-A431 HydrophobicContact CE2-CB 3.96Å; F352-A431 HydrophobicContact CG-CB 4.26Å; F352-V436 HydrophobicContact CB-CG2 3.8Å; F352-V436 HydrophobicContact CD2-CG2 4.19Å; F352-V436 HydrophobicContact CG-CG2 4.48Å
353	T	97.3	Very high	97.3	Very high	8 Å²	8	35.6 Å²	35.6	5%	0.049	19%	0.186	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.5	-21.9	-174.1	68.6	0	0	0	0	113.6	V307 Y308 N350 Q355	V307-T353 HydrophobicContact CB-CG2 4.45Å; V307-T353 HydrophobicContact CG1-CG2 3.81Å; V307-T353 HydrophobicContact CG2-CG2 4.06Å; Y308-T353 HydrophobicContact CD1-CG2 3.76Å; Y308-T353 HydrophobicContact CD2-CG2 4.06Å; Y308-T353 HydrophobicContact CE1-CG2 3.74Å; Y308-T353 HydrophobicContact CE2-CG2 4.04Å; Y308-T353 HydrophobicContact CG-CG2 3.92Å; N350-T353 VanDerWaalsContact CB-OG1 3.3Å; N350-T353 WeakPolarHBondContact CB-OG1 3.42Å; N350-T353 VanDerWaalsContact CG-OG1 3.32Å; N350-T353 PolarHBondContact OD1-N 3.3Å; N350-T353 VanDerWaalsContact OD1-N 3.08Å; T353-Q355 PolarHBondContact O-N 3.27Å; T353-Q355 WeakPolarHBondContact OG1-CB 3.22Å; T353-Q355 PolarHBondContact OG1-N 2.84Å; T353-Q355 PolarHBondContact OG1-OE1 2.66Å
354	G	96.1	Very high	97.1	Very high	53 Å²	53	34.2 Å²	34.2	55%	0.546	18%	0.176	S	C	.	.			trans	74.2	5.9	-170.8	0	0	0	0	0	114.2	L349 N350	L349-G354 VanDerWaalsContact CD1-O 3.3Å; L349-G354 WeakPolarHBondContact CD1-O 3.33Å; N350-G354 VanDerWaalsContact O-CA 3.26Å; N350-G354 WeakPolarHBondContact O-CA 3.3Å; N350-G354 PolarHBondContact O-N 2.65Å
355	Q	95.9	Very high	96.8	Very high	53 Å²	53	42.3 Å²	42.3	25%	0.248	21%	0.213	C	C	.	.			trans	-83.3	138.3	177.7	-66.8	167.6	-39.5	0	0	110.8	Y308 N350 T353	Y308-Q355 PolarHBondContact O-NE2 2.98Å; Y308-Q355 PolarHBondContact O-OE1 3.01Å; Y308-Q355 VanDerWaalsContact O-OE1 3.1Å; N350-Q355 WeakPolarHBondContact CB-O 3.26Å; N350-Q355 PolarHBondContact N-O 2.74Å; T353-Q355 PolarHBondContact O-N 3.27Å; T353-Q355 WeakPolarHBondContact OG1-CB 3.22Å; T353-Q355 PolarHBondContact OG1-N 2.84Å; T353-Q355 PolarHBondContact OG1-OE1 2.66Å
356	E	97.3	Very high	96.6	Very high	84 Å²	84	39.3 Å²	39.3	39%	0.393	21%	0.21	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	124.6	173.9	-170.4	166.8	156.4	0	0	109.2	K287 T347 A348 L349	K287-E356 WeakPolarHBondContact CD-OE1 3.35Å; K287-E356 VanDerWaalsContact CD-OE2 3.31Å; K287-E356 WeakPolarHBondContact CD-OE2 3.14Å; K287-E356 IonicContact NZ-OE2 2.8Å; K287-E356 PolarHBondContact NZ-OE2 3.44Å; T347-E356 VanDerWaalsContact CB-OE1 3.3Å; T347-E356 WeakPolarHBondContact CB-OE1 3.25Å; T347-E356 PolarHBondContact OG1-OE1 3.2Å; A348-E356 WeakPolarHBondContact O-CA 3.02Å; L349-E356 HydrophobicContact CD1-CB 4.28Å
357	V	97.9	Very high	96.3	Very high	9 Å²	9	40.4 Å²	40.4	6%	0.055	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	149.5	-178.7	-62.4	0	0	0	0	110.3	F284 A310 L313 T347 A348	F284-V357 HydrophobicContact CD1-CG2 4.44Å; F284-V357 HydrophobicContact CE1-CG2 4.14Å; A310-V357 HydrophobicContact CB-CG1 4.29Å; A310-V357 WeakPolarHBondContact O-CG1 3.32Å; L313-V357 HydrophobicContact CD2-CG2 4.42Å; L313-V357 HydrophobicContact CG-CG2 3.97Å; T347-V357 CarbonylContact C-O 3.57Å; T347-V357 WeakPolarHBondContact CA-O 3.49Å; A348-V357 HydrophobicContact CB-CG2 4.4Å; A348-V357 PolarHBondContact N-O 3.43Å; A348-V357 PolarHBondContact O-N 3Å
358	P	98	Very high	95.7	Very high	29 Å²	29	44.6 Å²	44.6	19%	0.188	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.2	150.6	176.2	27.9	-34.3	0	0	0	112.2	A311 Y312 L313 L343 L393	A311-P358 WeakPolarHBondContact O-CD 3.26Å; Y312-P358 WeakPolarHBondContact CA-O 3.45Å; Y312-P358 WeakPolarHBondContact CB-O 3.41Å; L313-P358 PolarHBondContact N-O 3.25Å; L343-P358 HydrophobicContact CD1-CB 3.51Å; L343-P358 HydrophobicContact CD1-CG 4.12Å; P358-L393 HydrophobicContact CG-CD1 4.1Å; P358-L393 HydrophobicContact CG-CD2 3.98Å
359	V	98.3	Very high	95.2	Very high	1 Å²	1	48.2 Å²	48.2	1%	0.006	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	129	166.5	-178.3	0	0	0	0	108.7	L286 L313 I315 T344 V346 A348	L286-V359 HydrophobicContact CD2-CG2 4.25Å; L313-V359 CarbonylContact O-C 3.58Å; L313-V359 WeakPolarHBondContact O-CA 3.33Å; I315-V359 HydrophobicContact CD1-CG1 3.94Å; I315-V359 HydrophobicContact CG1-CG1 4.16Å; I315-V359 HydrophobicContact CG2-CG1 4.47Å; T344-V359 WeakPolarHBondContact CB-O 3.48Å; T344-V359 WeakPolarHBondContact CG2-O 3.33Å; T344-V359 PolarHBondContact N-O 2.87Å; T344-V359 PolarHBondContact OG1-O 3.16Å; V346-V359 HydrophobicContact CB-CB 4.28Å; V346-V359 HydrophobicContact CB-CG2 4.36Å; V346-V359 HydrophobicContact CG1-CB 4.43Å; V346-V359 HydrophobicContact CG1-CG2 4Å; V346-V359 WeakPolarHBondContact O-CB 3.3Å; V346-V359 PolarHBondContact O-N 3.41Å; A348-V359 HydrophobicContact CB-CG2 3.91Å
360	V	98.3	Very high	94.5	Very high	0 Å²	0	52.8 Å²	52.8	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	134.7	179.5	175	0	0	0	0	108.6	Y312 L313 A314 I315 D341 C342 L343 L391 L393	Y312-V360 HydrophobicContact CD2-CB 4.21Å; Y312-V360 HydrophobicContact CD2-CG2 4.18Å; Y312-V360 HydrophobicContact CG-CG2 4.09Å; L313-V360 PolarHBondContact O-N 3.49Å; A314-V360 WeakPolarHBondContact CA-O 3.39Å; I315-V360 PolarHBondContact N-O 2.83Å; D341-V360 HydrophobicContact CB-CG1 4.25Å; C342-V360 WeakPolarHBondContact O-CA 3.45Å; L343-V360 HydrophobicContact CD1-CG2 4.22Å; V360-L391 HydrophobicContact CB-CD1 4.39Å; V360-L391 HydrophobicContact CG1-CD1 3.62Å; V360-L391 HydrophobicContact CG2-CD1 3.77Å; V360-L393 HydrophobicContact CG2-CD1 4.25Å
361	I	98.1	Very high	94.2	Very high	0 Å²	0	53.2 Å²	53.2	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	118	169	-55	158.2	0	0	0	106.9	I315 P317 L322 L332 F336 D341 C342 T344	I315-I361 HydrophobicContact CD1-CG1 4.41Å; I315-I361 HydrophobicContact CG1-CG1 4.29Å; P317-I361 HydrophobicContact CG-CG2 4.19Å; L322-I361 HydrophobicContact CD1-CG1 4.49Å; L322-I361 HydrophobicContact CD2-CD1 4.05Å; L322-I361 HydrophobicContact CD2-CG1 4.45Å; L322-I361 HydrophobicContact CD2-CG2 4.29Å; L332-I361 HydrophobicContact CB-CD1 4.28Å; L332-I361 HydrophobicContact CD2-CD1 4.48Å; L332-I361 VanDerWaalsContact O-CD1 3.26Å; L332-I361 WeakPolarHBondContact O-CD1 3.27Å; F336-I361 HydrophobicContact CB-CD1 3.95Å; F336-I361 HydrophobicContact CD2-CB 4.43Å; F336-I361 HydrophobicContact CD2-CD1 4.46Å; F336-I361 HydrophobicContact CD2-CG2 3.61Å; F336-I361 HydrophobicContact CE2-CG2 4.01Å; D341-I361 CarbonylContact C-O 3.24Å; D341-I361 WeakPolarHBondContact CA-O 3.39Å; C342-I361 HydrophobicContact CB-CB 4.25Å; C342-I361 PolarHBondContact N-O 3.29Å; C342-I361 PolarHBondContact O-N 3.47Å; T344-I361 HydrophobicContact CG2-CD1 3.72Å; T344-I361 HydrophobicContact CG2-CG1 3.8Å
362	S	97.2	Very high	93.9	Very high	6 Å²	6	50.7 Å²	50.7	4%	0.042	27%	0.269	C	S	.	.			trans	-68	145.9	-178.3	-178.9	0	0	0	0	111.4	I315 P317 D341 K364	I315-S362 PolarHBondContact O-N 2.88Å; P317-S362 WeakPolarHBondContact CD-O 3.39Å; P317-S362 VanDerWaalsContact CG-O 3.31Å; P317-S362 WeakPolarHBondContact CG-O 3.39Å; D341-S362 WeakPolarHBondContact OD1-CA 3.3Å; S362-K364 PolarHBondContact O-N 3.27Å; S362-K364 WeakPolarHBondContact OG-CB 3.36Å; S362-K364 PolarHBondContact OG-N 3.42Å; S362-K364 VanDerWaalsContact OG-N 3.1Å
363	H	95.3	Very high	93.8	Very high	79 Å²	79	50 Å²	50	37%	0.366	27%	0.266	S	S	.	.	S	Bend	trans	-68.3	-19.7	167.9	71.8	-82.7	0	0	0	112.8	R340 D341	R340-H363 VanDerWaalsContact C-CB 3.47Å; D341-H363 VanDerWaalsContact CG-ND1 3.26Å; D341-H363 IonicContact OD1-CE1 3.62Å; D341-H363 IonicContact OD1-CG 3.2Å; D341-H363 PolarHBondContact OD1-N 2.96Å; D341-H363 IonicContact OD1-ND1 3.46Å; D341-H363 PolarHBondContact OD1-ND1 2.85Å; D341-H363 IonicContact OD2-CE1 3.67Å; D341-H363 IonicContact OD2-ND1 2.84Å; D341-H363 PolarHBondContact OD2-ND1 2.78Å
364	K	94.1	Very high	93.9	Very high	52 Å²	52	50.7 Å²	50.7	23%	0.226	27%	0.27	C	S	.	.			trans	-69.5	145.3	-177.3	-62.9	-176.3	175.6	-178.1	0	111.5	L316 P317 S362 A366 F367 E383	L316-K364 HydrophobicContact CD2-CB 4.34Å; L316-K364 WeakPolarHBondContact CD2-O 3.18Å; P317-K364 WeakPolarHBondContact CD-O 3.3Å; S362-K364 PolarHBondContact O-N 3.27Å; S362-K364 WeakPolarHBondContact OG-CB 3.36Å; S362-K364 PolarHBondContact OG-N 3.42Å; S362-K364 VanDerWaalsContact OG-N 3.1Å; K364-A366 WeakPolarHBondContact CB-O 3.46Å; K364-F367 HydrophobicContact CD-CD1 3.94Å; K364-F367 HydrophobicContact CD-CE1 4.16Å; K364-E383 WeakPolarHBondContact CE-OE1 3.5Å; K364-E383 IonicContact NZ-OE1 2.66Å; K364-E383 PolarHBondContact NZ-OE1 3.26Å; K364-E383 IonicContact NZ-OE2 3.76Å; K364-E383 PolarHBondContact NZ-OE2 3.27Å
365	E	88.8	Confident	94	Very high	183 Å²	183	48.3 Å²	48.3	86%	0.855	25%	0.245	S	C	*	.	S	Bend	trans	-80.9	-24.7	171.2	-63.1	-174.8	166.9	0	0	112.3
366	A	90.8	Very high	94.1	Very high	63 Å²	63	45.8 Å²	45.8	52%	0.521	23%	0.233	S	C	.	.			trans	-148.4	148.8	175.7	0	0	0	0	0	111	K364	K364-A366 WeakPolarHBondContact CB-O 3.46Å
367	F	92.3	Very high	94.1	Very high	24 Å²	24	41.9 Å²	41.9	11%	0.105	22%	0.215	C	C	.	.			trans	-90.8	-175.3	163.2	-63.5	-48.7	0	0	0	109.9	A314 L316 K364 D369 L371 V374	A314-F367 HydrophobicContact CB-CE1 4.48Å; A314-F367 HydrophobicContact CB-CZ 3.85Å; L316-F367 HydrophobicContact CD1-CD2 4.17Å; L316-F367 HydrophobicContact CD2-CD1 3.96Å; L316-F367 HydrophobicContact CD2-CD2 3.71Å; L316-F367 HydrophobicContact CD2-CE1 3.93Å; L316-F367 HydrophobicContact CD2-CE2 3.67Å; L316-F367 HydrophobicContact CD2-CG 3.85Å; L316-F367 HydrophobicContact CD2-CZ 3.76Å; L316-F367 HydrophobicContact CG-CD2 3.64Å; L316-F367 HydrophobicContact CG-CE2 3.61Å; L316-F367 HydrophobicContact CG-CG 4.23Å; L316-F367 HydrophobicContact CG-CZ 4.18Å; K364-F367 HydrophobicContact CD-CD1 3.94Å; K364-F367 HydrophobicContact CD-CE1 4.16Å; F367-D369 PolarHBondContact O-N 3.48Å; F367-L371 HydrophobicContact CB-CB 3.95Å; F367-L371 HydrophobicContact CD2-CB 4.43Å; F367-L371 WeakPolarHBondContact CD2-O 3.49Å; F367-V374 HydrophobicContact CD1-CG2 4.43Å; F367-V374 HydrophobicContact CD2-CG1 3.91Å; F367-V374 HydrophobicContact CD2-CG2 4.28Å; F367-V374 HydrophobicContact CE1-CG2 4.12Å; F367-V374 HydrophobicContact CE2-CG1 4.29Å; F367-V374 HydrophobicContact CE2-CG2 3.95Å; F367-V374 HydrophobicContact CG-CG1 4.23Å; F367-V374 HydrophobicContact CZ-CG2 3.88Å
368	D	85.4	Confident	94.1	Very high	122 Å²	122	41.8 Å²	41.8	65%	0.652	22%	0.215	S	C	*	.	S	Bend	trans	-59	135.3	173.3	-66.9	-19.3	0	0	0	110.9	Y370 L371	D368-Y370 PolarHBondContact O-N 2.85Å; D368-Y370 VanDerWaalsContact O-N 3.13Å; D368-L371 WeakPolarHBondContact O-CG 3.41Å; D368-L371 PolarHBondContact O-N 2.98Å
369	D	86.8	Confident	94	Very high	76 Å²	76	42.3 Å²	42.3	41%	0.406	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.1	-107.4	179.4	-55.2	-60.5	0	0	0	113.5	F367 S443 K444	F367-D369 PolarHBondContact O-N 3.48Å; D369-S443 WeakPolarHBondContact CB-O 3.49Å; D369-S443 VanDerWaalsContact OD2-CB 3.32Å; D369-S443 WeakPolarHBondContact OD2-CB 3.18Å; D369-S443 PolarHBondContact OD2-OG 3.33Å; D369-K444 HydrophobicContact CB-CG 4.01Å; D369-K444 WeakPolarHBondContact OD1-CE 3.22Å; D369-K444 WeakPolarHBondContact OD1-CG 3.37Å; D369-K444 VanDerWaalsContact OD2-CG 3.26Å; D369-K444 WeakPolarHBondContact OD2-CG 3.41Å
370	Y	82.4	Confident	93.8	Very high	129 Å²	129	44.9 Å²	44.9	51%	0.506	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-123.8	17.4	-175.6	-53.8	-73	0	0	0	113	D368 K444 R446	D368-Y370 PolarHBondContact O-N 2.85Å; D368-Y370 VanDerWaalsContact O-N 3.13Å; Y370-K444 VanDerWaalsContact CD2-O 3.25Å; Y370-K444 WeakPolarHBondContact CD2-O 3.46Å; Y370-R446 VanDerWaalsContact CD1-NH2 3.35Å; Y370-R446 HydrophobicContact CD2-CG 4.37Å; Y370-R446 HydrophobicContact CG-CG 4.37Å; Y370-R446 VanDerWaalsContact CG-NE 3.27Å; Y370-R446 VanDerWaalsContact CZ-NH2 3.3Å
371	L	91.6	Very high	93.7	Very high	11 Å²	11	46.4 Å²	46.4	6%	0.058	24%	0.242	C	C	.	.			trans	-71.8	138	179.4	-62.1	177.6	0	0	0	110.5	Y281 Y300 L316 F367 D368 V374	Y281-L371 VanDerWaalsContact OH-CD2 3.31Å; Y281-L371 WeakPolarHBondContact OH-CD2 3.39Å; Y300-L371 HydrophobicContact CD1-CD1 3.46Å; Y300-L371 VanDerWaalsContact CD1-CD1 3.46Å; Y300-L371 HydrophobicContact CD1-CD2 4.16Å; Y300-L371 HydrophobicContact CD1-CG 4.47Å; Y300-L371 HydrophobicContact CD2-CD2 4.09Å; Y300-L371 HydrophobicContact CE1-CD1 3.97Å; Y300-L371 HydrophobicContact CG-CD1 3.91Å; Y300-L371 HydrophobicContact CG-CD2 3.71Å; Y300-L371 HydrophobicContact CG-CG 4.49Å; L316-L371 WeakPolarHBondContact CD1-O 3.4Å; F367-L371 HydrophobicContact CB-CB 3.95Å; F367-L371 HydrophobicContact CD2-CB 4.43Å; F367-L371 WeakPolarHBondContact CD2-O 3.49Å; D368-L371 WeakPolarHBondContact O-CG 3.41Å; D368-L371 PolarHBondContact O-N 2.98Å; L371-V374 HydrophobicContact CB-CG1 4.02Å; L371-V374 HydrophobicContact CD1-CG1 3.9Å
372	D	92.1	Very high	93.7	Very high	67 Å²	67	53.7 Å²	53.7	36%	0.358	28%	0.276	S	S	.	.	S	Bend	trans	-123.4	-12.4	176.9	64.8	-10.4	0	0	0	113.1	I315 L316 H319	I315-D372 WeakPolarHBondContact CA-O 3.41Å; L316-D372 HydrophobicContact CD1-CB 4.36Å; L316-D372 PolarHBondContact N-O 3.39Å; H319-D372 PolarHBondContact CD2-O 2.78Å; H319-D372 IonicContact CD2-OD1 2.81Å; H319-D372 IonicContact CD2-OD2 3.35Å; H319-D372 PolarHBondContact CD2-OD2 3.26Å; H319-D372 IonicContact NE2-OD2 2.78Å
373	A	96.3	Very high	93.6	Very high	1 Å²	1	57.9 Å²	57.9	1%	0.008	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	125	172.7	0	0	0	0	0	111.5	L297 A299 Y300 A314 I315	L297-A373 HydrophobicContact CD1-CB 4.02Å; A299-A373 HydrophobicContact CB-CB 4.29Å; Y300-A373 PolarHBondContact N-O 3.02Å; A314-A373 CarbonylContact O-C 3.55Å; A314-A373 VanDerWaalsContact O-CA 3.32Å; A314-A373 WeakPolarHBondContact O-CA 3.41Å; I315-A373 HydrophobicContact CG2-CB 4Å
374	V	97.9	Very high	93.7	Very high	22 Å²	22	55.1 Å²	55.1	13%	0.133	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	155.2	-177.7	-58.9	0	0	0	0	112.3	Y300 L313 A314 F367 L371	Y300-V374 WeakPolarHBondContact O-CA 3.22Å; L313-V374 WeakPolarHBondContact CA-O 3.49Å; A314-V374 HydrophobicContact CB-CG2 3.95Å; A314-V374 PolarHBondContact N-O 3.47Å; A314-V374 PolarHBondContact O-N 2.84Å; F367-V374 HydrophobicContact CD1-CG2 4.43Å; F367-V374 HydrophobicContact CD2-CG1 3.91Å; F367-V374 HydrophobicContact CD2-CG2 4.28Å; F367-V374 HydrophobicContact CE1-CG2 4.12Å; F367-V374 HydrophobicContact CE2-CG1 4.29Å; F367-V374 HydrophobicContact CE2-CG2 3.95Å; F367-V374 HydrophobicContact CG-CG1 4.23Å; F367-V374 HydrophobicContact CZ-CG2 3.88Å; L371-V374 HydrophobicContact CB-CG1 4.02Å; L371-V374 HydrophobicContact CD1-CG1 3.9Å
375	I	98.4	Very high	93.9	Very high	4 Å²	4	53.5 Å²	53.5	2%	0.021	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92	124.5	173.5	-53.1	-178.9	0	0	0	109.1	F282 F284 A299 Y300 C301 V307 A310 L313 L377	F282-I375 HydrophobicContact CB-CD1 4.32Å; F282-I375 HydrophobicContact CD2-CD1 3.96Å; F284-I375 HydrophobicContact CE2-CD1 3.84Å; F284-I375 HydrophobicContact CE2-CG1 4.2Å; F284-I375 HydrophobicContact CZ-CD1 3.67Å; F284-I375 HydrophobicContact CZ-CG1 4.09Å; A299-I375 HydrophobicContact CB-CG1 3.88Å; Y300-I375 PolarHBondContact O-N 2.83Å; C301-I375 HydrophobicContact CB-CD1 3.73Å; C301-I375 HydrophobicContact CB-CG1 4.41Å; V307-I375 HydrophobicContact CG2-CD1 4.39Å; A310-I375 HydrophobicContact CB-CG2 3.5Å; L313-I375 HydrophobicContact CD2-CB 4.28Å; L313-I375 HydrophobicContact CD2-CG1 3.73Å; L313-I375 HydrophobicContact CD2-CG2 4.42Å; I375-L377 HydrophobicContact CG2-CD2 4.04Å; I375-L377 HydrophobicContact CG2-CG 4.3Å
376	G	98	Very high	94.3	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	123	174.8	0	0	0	0	0	111.9	A311 Y312	A311-G376 PolarHBondContact N-O 3.38Å; Y312-G376 PolarHBondContact O-N 3.06Å
377	L	97.8	Very high	94.6	Very high	2 Å²	2	46 Å²	46	1%	0.01	24%	0.24	C	C	.	.			trans	-124.9	82.3	-174.7	-63	171.4	0	0	0	111.9	A303 M306 A310 I375 D379 V380 S381 D384	A303-L377 HydrophobicContact CB-CD1 4.08Å; M306-L377 HydrophobicContact CB-CD1 4.32Å; M306-L377 HydrophobicContact CB-CD2 4.29Å; A310-L377 HydrophobicContact CB-CD2 4.46Å; I375-L377 HydrophobicContact CG2-CD2 4.04Å; I375-L377 HydrophobicContact CG2-CG 4.3Å; L377-D379 PolarHBondContact O-N 2.88Å; L377-D379 VanDerWaalsContact O-N 3.07Å; L377-V380 HydrophobicContact CB-CG2 3.74Å; L377-V380 HydrophobicContact CD1-CG2 4.28Å; L377-V380 PolarHBondContact O-N 3.5Å; L377-V380 VanDerWaalsContact O-N 3.13Å; L377-S381 PolarHBondContact O-N 2.83Å; L377-S381 VanDerWaalsContact O-N 3.14Å; L377-D384 PolarHBondContact N-OD2 3.29Å
378	P	97.8	Very high	94.8	Very high	7 Å²	7	44.9 Å²	44.9	5%	0.045	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.1	-27	-173.5	-29.6	37.8	0	0	0	116	A311 V380 L385 A388 W395	A311-P378 HydrophobicContact CB-CG 3.6Å; P378-V380 PolarHBondContact O-N 2.95Å; P378-L385 HydrophobicContact CB-CB 4.09Å; P378-L385 HydrophobicContact CB-CD1 3.93Å; P378-A388 HydrophobicContact CG-CB 3.93Å; P378-W395 HydrophobicContact CB-CD2 3.96Å; P378-W395 HydrophobicContact CB-CG 4.26Å; P378-W395 HydrophobicContact CB-CZ2 3.88Å; P378-W395 HydrophobicContact CG-CD2 3.83Å; P378-W395 HydrophobicContact CG-CE3 4.3Å; P378-W395 HydrophobicContact CG-CG 3.92Å
379	D	95.8	Very high	95.4	Very high	39 Å²	39	46.7 Å²	46.7	21%	0.209	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.4	-17.5	-178.7	-81.5	10	0	0	0	113.8	M306 L377 W395 T397 V398 L399	M306-D379 HydrophobicContact CE-CB 4.25Å; L377-D379 PolarHBondContact O-N 2.88Å; L377-D379 VanDerWaalsContact O-N 3.07Å; D379-W395 PolarHBondContact OD1-NE1 3.49Å; D379-T397 VanDerWaalsContact OD2-CA 3.23Å; D379-T397 WeakPolarHBondContact OD2-CA 3.4Å; D379-T397 WeakPolarHBondContact OD2-CG2 3.42Å; D379-V398 PolarHBondContact OD2-N 2.76Å; D379-L399 HydrophobicContact CB-CB 4.28Å; D379-L399 PolarHBondContact OD2-N 2.88Å
380	V	95.1	Very high	95.9	Very high	56 Å²	56	46.1 Å²	46.1	34%	0.339	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	-130.8	-1	-176	-64.6	0	0	0	0	113.6	A303 M306 L377 P378 L399	A303-V380 HydrophobicContact CB-CG2 4.16Å; M306-V380 HydrophobicContact CE-CG1 3.95Å; M306-V380 HydrophobicContact CG-CG1 4.01Å; M306-V380 HydrophobicContact CG-CG2 4.44Å; L377-V380 HydrophobicContact CB-CG2 3.74Å; L377-V380 HydrophobicContact CD1-CG2 4.28Å; L377-V380 PolarHBondContact O-N 3.5Å; L377-V380 VanDerWaalsContact O-N 3.13Å; P378-V380 PolarHBondContact O-N 2.95Å; V380-L399 HydrophobicContact CG1-CD2 4.03Å
381	S	96.1	Very high	96.6	Very high	31 Å²	31	41.5 Å²	41.5	22%	0.217	22%	0.222	C	C	.	.			trans	-137.5	111.8	-177.9	174.4	0	0	0	0	110.1	L377 E383 D384 L385	L377-S381 PolarHBondContact O-N 2.83Å; L377-S381 VanDerWaalsContact O-N 3.14Å; S381-E383 PolarHBondContact O-N 3.3Å; S381-D384 WeakPolarHBondContact CB-OD2 3.29Å; S381-D384 PolarHBondContact O-N 3.45Å; S381-D384 VanDerWaalsContact OG-CG 3.3Å; S381-D384 PolarHBondContact OG-N 3.41Å; S381-D384 PolarHBondContact OG-OD2 3.45Å; S381-D384 VanDerWaalsContact OG-OD2 3.08Å; S381-L385 WeakPolarHBondContact O-CB 3.38Å; S381-L385 PolarHBondContact O-N 3.32Å
382	E	96.8	Very high	96.9	Very high	153 Å²	153	50.9 Å²	50.9	72%	0.715	26%	0.259	S	S	*	.	H	α-helix	trans	-61.8	-31.8	175.6	-74.1	-67.9	165.6	0	0	112	S386	E382-S386 WeakPolarHBondContact O-CB 3.46Å; E382-S386 PolarHBondContact O-N 3.25Å
383	E	95.4	Very high	97.1	Very high	94 Å²	94	48.6 Å²	48.6	44%	0.439	25%	0.246	S	C	.	.	H	α-helix	trans	-66.5	-47.4	174.7	-179.4	167	-145.9	0	0	111.1	K364 S381 L385 S386 V387	K364-E383 WeakPolarHBondContact CE-OE1 3.5Å; K364-E383 IonicContact NZ-OE1 2.66Å; K364-E383 PolarHBondContact NZ-OE1 3.26Å; K364-E383 IonicContact NZ-OE2 3.76Å; K364-E383 PolarHBondContact NZ-OE2 3.27Å; S381-E383 PolarHBondContact O-N 3.3Å; E383-L385 VanDerWaalsContact C-N 3.27Å; E383-L385 PolarHBondContact O-N 3.29Å; E383-S386 WeakPolarHBondContact O-CB 3.41Å; E383-S386 PolarHBondContact O-N 3.07Å; E383-S386 VanDerWaalsContact O-N 3.11Å; E383-V387 PolarHBondContact O-N 3.19Å
384	D	97.3	Very high	97	Very high	21 Å²	21	56 Å²	56	11%	0.112	29%	0.286	C	S	.	.	H	α-helix	trans	-65.8	-34.7	178.4	-65.4	-37.2	0	0	0	111.9	Y312 L377 S381 S386 V387 A388	Y312-D384 WeakPolarHBondContact OH-CA 3.4Å; Y312-D384 WeakPolarHBondContact OH-CB 3.11Å; Y312-D384 PolarHBondContact OH-OD1 2.98Å; L377-D384 PolarHBondContact N-OD2 3.29Å; S381-D384 WeakPolarHBondContact CB-OD2 3.29Å; S381-D384 PolarHBondContact O-N 3.45Å; S381-D384 VanDerWaalsContact OG-CG 3.3Å; S381-D384 PolarHBondContact OG-N 3.41Å; S381-D384 PolarHBondContact OG-OD2 3.45Å; S381-D384 VanDerWaalsContact OG-OD2 3.08Å; D384-S386 VanDerWaalsContact C-N 3.34Å; D384-V387 PolarHBondContact O-N 3.24Å; D384-A388 VanDerWaalsContact O-CB 3.29Å; D384-A388 WeakPolarHBondContact O-CB 3.44Å; D384-A388 PolarHBondContact O-N 3.46Å
385	L	97.8	Very high	97	Very high	19 Å²	19	58.6 Å²	58.6	10%	0.099	29%	0.293	C	S	.	.	H	α-helix	trans	-62.3	-41.2	172.8	-179.7	62.6	0	0	0	111.9	P378 S381 E383 R389 W395	P378-L385 HydrophobicContact CB-CB 4.09Å; P378-L385 HydrophobicContact CB-CD1 3.93Å; S381-L385 WeakPolarHBondContact O-CB 3.38Å; S381-L385 PolarHBondContact O-N 3.32Å; E383-L385 VanDerWaalsContact C-N 3.27Å; E383-L385 PolarHBondContact O-N 3.29Å; L385-R389 HydrophobicContact CD1-CG 4.43Å; L385-R389 WeakPolarHBondContact O-CB 3.5Å; L385-R389 VanDerWaalsContact O-CG 3.29Å; L385-R389 WeakPolarHBondContact O-CG 3.1Å; L385-R389 PolarHBondContact O-N 3.45Å; L385-W395 HydrophobicContact CD1-CH2 3.43Å; L385-W395 VanDerWaalsContact CD1-CH2 3.43Å; L385-W395 HydrophobicContact CD1-CZ2 3.37Å; L385-W395 HydrophobicContact CD1-CZ3 4.5Å
386	S	97.4	Very high	96.8	Very high	75 Å²	75	61.3 Å²	61.3	52%	0.524	31%	0.31	S	S	.	.	H	α-helix	trans	-62.7	-48	176.3	-173.7	0	0	0	0	111.4	E382 E383 D384 R389 A390	E382-S386 WeakPolarHBondContact O-CB 3.46Å; E382-S386 PolarHBondContact O-N 3.25Å; E383-S386 WeakPolarHBondContact O-CB 3.41Å; E383-S386 PolarHBondContact O-N 3.07Å; E383-S386 VanDerWaalsContact O-N 3.11Å; D384-S386 VanDerWaalsContact C-N 3.34Å; S386-R389 PolarHBondContact O-N 3.28Å; S386-A390 WeakPolarHBondContact O-CB 3.24Å; S386-A390 PolarHBondContact O-N 2.95Å
387	V	97.3	Very high	96.8	Very high	14 Å²	14	64.5 Å²	64.5	9%	0.085	33%	0.33	C	S	.	.	H	α-helix	trans	-62.6	-47.9	178	174.9	0	0	0	0	111	Y312 D341 E383 D384 R389 A390 L391	Y312-V387 HydrophobicContact CE1-CB 4.16Å; Y312-V387 HydrophobicContact CE1-CG1 3.9Å; Y312-V387 HydrophobicContact CE2-CG1 4.27Å; Y312-V387 WeakPolarHBondContact OH-CB 3.2Å; D341-V387 HydrophobicContact CB-CG1 4.41Å; E383-V387 PolarHBondContact O-N 3.19Å; D384-V387 PolarHBondContact O-N 3.24Å; V387-R389 VanDerWaalsContact C-N 3.29Å; V387-R389 PolarHBondContact O-N 3.12Å; V387-A390 PolarHBondContact O-N 3.28Å; V387-L391 HydrophobicContact CG1-CD1 3.93Å; V387-L391 WeakPolarHBondContact O-CB 3.27Å; V387-L391 PolarHBondContact O-N 3.43Å
388	A	97.8	Very high	96.7	Very high	0 Å²	0	64.4 Å²	64.4	0%	0	33%	0.329	C	S	.	.	H	α-helix	trans	-58	-42	178.5	0	0	0	0	0	111.8	A311 Y312 P378 D384 Y392 L393 W395	A311-A388 HydrophobicContact CB-CB 4.34Å; Y312-A388 HydrophobicContact CE1-CB 4.24Å; P378-A388 HydrophobicContact CG-CB 3.93Å; D384-A388 VanDerWaalsContact O-CB 3.29Å; D384-A388 WeakPolarHBondContact O-CB 3.44Å; D384-A388 PolarHBondContact O-N 3.46Å; A388-Y392 PolarHBondContact O-N 3.29Å; A388-Y392 VanDerWaalsContact O-N 3.14Å; A388-L393 HydrophobicContact CB-CB 4.35Å; A388-L393 PolarHBondContact O-N 2.75Å; A388-W395 HydrophobicContact CB-CE3 4.04Å; A388-W395 HydrophobicContact CB-CZ3 3.98Å
389	R	97.6	Very high	96.6	Very high	159 Å²	159	65.3 Å²	65.3	60%	0.6	33%	0.333	S	S	*	.	H	α-helix	trans	-68.7	-44.1	176.2	-75.1	174.4	174	164.5	2.4	112.8	L385 S386 V387 L391 Y392 W395	L385-R389 HydrophobicContact CD1-CG 4.43Å; L385-R389 WeakPolarHBondContact O-CB 3.5Å; L385-R389 VanDerWaalsContact O-CG 3.29Å; L385-R389 WeakPolarHBondContact O-CG 3.1Å; L385-R389 PolarHBondContact O-N 3.45Å; S386-R389 PolarHBondContact O-N 3.28Å; V387-R389 VanDerWaalsContact C-N 3.29Å; V387-R389 PolarHBondContact O-N 3.12Å; R389-L391 PolarHBondContact O-N 3.25Å; R389-Y392 PolarHBondContact O-N 3.11Å; R389-Y392 VanDerWaalsContact O-N 3.12Å; R389-W395 HydrophobicContact CG-CH2 4.49Å
390	A	96.9	Very high	96.6	Very high	64 Å²	64	68.4 Å²	68.4	53%	0.529	35%	0.345	S	S	.	.	H	α-helix	trans	-62.3	-33	-179.6	0	0	0	0	0	112.3	S386 V387	S386-A390 WeakPolarHBondContact O-CB 3.24Å; S386-A390 PolarHBondContact O-N 2.95Å; V387-A390 PolarHBondContact O-N 3.28Å
391	L	97.3	Very high	96.6	Very high	32 Å²	32	69.9 Å²	69.9	17%	0.168	35%	0.354	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95	5.8	177.7	-63.3	-179.5	0	0	0	113.7	D341 L343 V360 V387 R389 L393	D341-L391 HydrophobicContact CB-CD1 4.15Å; L343-L391 HydrophobicContact CB-CD2 4.48Å; V360-L391 HydrophobicContact CB-CD1 4.39Å; V360-L391 HydrophobicContact CG1-CD1 3.62Å; V360-L391 HydrophobicContact CG2-CD1 3.77Å; V387-L391 HydrophobicContact CG1-CD1 3.93Å; V387-L391 WeakPolarHBondContact O-CB 3.27Å; V387-L391 PolarHBondContact O-N 3.43Å; R389-L391 PolarHBondContact O-N 3.25Å; L391-L393 HydrophobicContact CB-CD1 4.12Å; L391-L393 HydrophobicContact CB-CD2 4.23Å; L391-L393 HydrophobicContact CB-CG 3.78Å; L391-L393 HydrophobicContact CD1-CD1 4.38Å; L391-L393 PolarHBondContact O-N 3.26Å
392	Y	97.4	Very high	96.5	Very high	208 Å²	208	71.5 Å²	71.5	82%	0.816	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	54	37.9	-179	-53.9	-82.8	0	0	0	113.8	A388 R389	A388-Y392 PolarHBondContact O-N 3.29Å; A388-Y392 VanDerWaalsContact O-N 3.14Å; R389-Y392 PolarHBondContact O-N 3.11Å; R389-Y392 VanDerWaalsContact O-N 3.12Å
393	L	97.3	Very high	96.3	Very high	20 Å²	20	75 Å²	75	11%	0.105	37%	0.371	C	S	.	.			trans	-82.9	142.7	-180	-56.3	-176.9	0	0	0	111.2	Y312 L343 P358 V360 A388 L391	Y312-L393 HydrophobicContact CD1-CD1 3.69Å; Y312-L393 HydrophobicContact CG-CD1 4.08Å; L343-L393 HydrophobicContact CD1-CD2 3.99Å; L343-L393 HydrophobicContact CD2-CD2 4.18Å; P358-L393 HydrophobicContact CG-CD1 4.1Å; P358-L393 HydrophobicContact CG-CD2 3.98Å; V360-L393 HydrophobicContact CG2-CD1 4.25Å; A388-L393 HydrophobicContact CB-CB 4.35Å; A388-L393 PolarHBondContact O-N 2.75Å; L391-L393 HydrophobicContact CB-CD1 4.12Å; L391-L393 HydrophobicContact CB-CD2 4.23Å; L391-L393 HydrophobicContact CB-CG 3.78Å; L391-L393 HydrophobicContact CD1-CD1 4.38Å; L391-L393 PolarHBondContact O-N 3.26Å
394	N	94.7	Very high	96.1	Very high	157 Å²	157	76.3 Å²	76.3	84%	0.84	38%	0.381	S	S	*	.			trans	-94.2	140	172.4	-67	-35.6	0	0	0	109.8
395	W	96.3	Very high	95.8	Very high	75 Å²	75	77.8 Å²	77.8	28%	0.284	40%	0.402	S	S	.	.			trans	-139.9	164.6	170.5	72.7	100.5	0	0	0	110.1	A311 P378 D379 L385 A388 R389	A311-W395 HydrophobicContact CB-CB 3.63Å; A311-W395 HydrophobicContact CB-CG 4.27Å; P378-W395 HydrophobicContact CB-CD2 3.96Å; P378-W395 HydrophobicContact CB-CG 4.26Å; P378-W395 HydrophobicContact CB-CZ2 3.88Å; P378-W395 HydrophobicContact CG-CD2 3.83Å; P378-W395 HydrophobicContact CG-CE3 4.3Å; P378-W395 HydrophobicContact CG-CG 3.92Å; D379-W395 PolarHBondContact OD1-NE1 3.49Å; L385-W395 HydrophobicContact CD1-CH2 3.43Å; L385-W395 VanDerWaalsContact CD1-CH2 3.43Å; L385-W395 HydrophobicContact CD1-CZ2 3.37Å; L385-W395 HydrophobicContact CD1-CZ3 4.5Å; A388-W395 HydrophobicContact CB-CE3 4.04Å; A388-W395 HydrophobicContact CB-CZ3 3.98Å; R389-W395 HydrophobicContact CG-CH2 4.49Å
396	T	95.8	Very high	95.5	Very high	62 Å²	62	80.3 Å²	80.3	38%	0.38	42%	0.418	S	S	.	.			trans	-98	123.6	176.2	-59.7	0	0	0	0	108.9	G309 V398 N411	G309-T396 WeakPolarHBondContact CA-O 2.97Å; T396-V398 HydrophobicContact CG2-CG1 4.36Å; T396-V398 PolarHBondContact O-N 2.94Å; T396-N411 HydrophobicContact CG2-CB 3.5Å; T396-N411 VanDerWaalsContact CG2-CB 3.5Å
397	T	96.8	Very high	95.4	Very high	67 Å²	67	79.7 Å²	79.7	41%	0.411	41%	0.407	S	S	.	.			trans	-66.4	125.7	169.6	-63.4	0	0	0	0	109.3	D379 I410 N411	D379-T397 VanDerWaalsContact OD2-CA 3.23Å; D379-T397 WeakPolarHBondContact OD2-CA 3.4Å; D379-T397 WeakPolarHBondContact OD2-CG2 3.42Å; T397-I410 HydrophobicContact CG2-CD1 4.42Å; T397-N411 PolarHBondContact O-ND2 2.83Å
398	V	97.1	Very high	95.4	Very high	0 Å²	0	80 Å²	80	0%	0	41%	0.408	C	S	.	.			trans	-119.2	-7.6	-179.4	-61.5	0	0	0	0	113	M306 D379 T396 L409 I410 N411	M306-V398 HydrophobicContact CB-CG2 4.43Å; M306-V398 HydrophobicContact CE-CG2 3.58Å; M306-V398 HydrophobicContact SD-CG2 4.47Å; D379-V398 PolarHBondContact OD2-N 2.76Å; T396-V398 HydrophobicContact CG2-CG1 4.36Å; T396-V398 PolarHBondContact O-N 2.94Å; V398-L409 CarbonylContact O-C 3.47Å; V398-L409 VanDerWaalsContact O-CA 3.28Å; V398-L409 WeakPolarHBondContact O-CA 3.35Å; V398-I410 WeakPolarHBondContact CA-O 3.43Å; V398-I410 WeakPolarHBondContact CB-O 3.46Å; V398-I410 PolarHBondContact O-N 3.16Å; V398-N411 HydrophobicContact CG1-CB 4.33Å
399	L	95.6	Very high	95.3	Very high	25 Å²	25	80 Å²	80	13%	0.131	41%	0.408	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	131.9	173.6	-158.5	53.8	0	0	0	112.3	M306 D379 V380 Q407 R420	M306-L399 HydrophobicContact CE-CB 3.48Å; M306-L399 VanDerWaalsContact CE-CB 3.48Å; M306-L399 HydrophobicContact CE-CD1 3.73Å; M306-L399 HydrophobicContact CE-CD2 4.11Å; M306-L399 HydrophobicContact CE-CG 3.95Å; M306-L399 HydrophobicContact SD-CD1 4.17Å; D379-L399 HydrophobicContact CB-CB 4.28Å; D379-L399 PolarHBondContact OD2-N 2.88Å; V380-L399 HydrophobicContact CG1-CD2 4.03Å; L399-Q407 HydrophobicContact CD1-CB 3.98Å; L399-Q407 HydrophobicContact CD1-CG 4.39Å; L399-R420 HydrophobicContact CD1-CG 4.31Å
400	K	95.9	Very high	95.3	Very high	104 Å²	104	74.5 Å²	74.5	45%	0.452	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	122.8	166.7	-175.9	177.4	175.6	-177.9	0	110.3	Q407 T408 I410	K400-Q407 WeakPolarHBondContact O-CA 3.12Å; K400-T408 PolarHBondContact N-O 3.44Å; K400-T408 PolarHBondContact O-N 3Å; K400-I410 HydrophobicContact CB-CD1 4.25Å; K400-I410 HydrophobicContact CB-CG1 4.46Å; K400-I410 HydrophobicContact CB-CG2 3.77Å; K400-I410 HydrophobicContact CD-CG2 4.02Å
401	T	94.6	Very high	95.3	Very high	87 Å²	87	76.1 Å²	76.1	53%	0.534	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	124.3	171.3	-55.1	0	0	0	0	109.6	Q407	T401-Q407 HydrophobicContact CG2-CG 4.47Å; T401-Q407 PolarHBondContact OG1-NE2 3.05Å
402	H	93.3	Very high	95.3	Very high	65 Å²	65	74.6 Å²	74.6	30%	0.301	38%	0.383	S	S	.	.			trans	-84.6	167.5	176.6	-62	-78.6	0	0	0	111.3	D404 G405 T406 T408	H402-D404 WeakPolarHBondContact CB-OD1 3.5Å; H402-D404 PolarHBondContact O-N 2.81Å; H402-G405 PolarHBondContact O-N 2.81Å; H402-T406 PolarHBondContact CD2-O 2.89Å; H402-T406 PolarHBondContact CD2-OG1 3.47Å; H402-T406 PolarHBondContact N-O 3.24Å; H402-T408 WeakPolarHBondContact NE2-CG2 3.36Å; H402-T408 PolarHBondContact NE2-OG1 2.86Å
403	K	92.8	Very high	95.2	Very high	226 Å²	226	70.6 Å²	70.6	98%	0.983	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.3	-25.9	-177.2	-67.8	-175.4	179	-179.3	0	113.7	G405	K403-G405 VanDerWaalsContact C-N 3.28Å
404	D	91.9	Very high	95.1	Very high	122 Å²	122	75.9 Å²	75.9	65%	0.652	39%	0.394	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.8	2.5	177.7	62.6	1.8	0	0	0	113.2	H402 T406	H402-D404 WeakPolarHBondContact CB-OD1 3.5Å; H402-D404 PolarHBondContact O-N 2.81Å; D404-T406 VanDerWaalsContact C-N 3.3Å; D404-T406 WeakPolarHBondContact OD1-CB 3.25Å; D404-T406 WeakPolarHBondContact OD1-CG2 3.4Å; D404-T406 PolarHBondContact OD1-N 3.11Å; D404-T406 PolarHBondContact OD1-OG1 3.01Å
405	G	90.6	Very high	95.2	Very high	53 Å²	53	68.8 Å²	68.8	55%	0.546	36%	0.355	S	S	.	.	S	Bend	trans	85.4	-5	-178.7	0	0	0	0	0	114.3	H402 K403	H402-G405 PolarHBondContact O-N 2.81Å; K403-G405 VanDerWaalsContact C-N 3.28Å
406	T	91.2	Very high	95.2	Very high	71 Å²	71	66.8 Å²	66.8	44%	0.436	35%	0.353	S	S	.	.			trans	-68.1	148.9	174.6	63.5	0	0	0	0	110.9	H402 D404	H402-T406 PolarHBondContact CD2-O 2.89Å; H402-T406 PolarHBondContact CD2-OG1 3.47Å; H402-T406 PolarHBondContact N-O 3.24Å; D404-T406 VanDerWaalsContact C-N 3.3Å; D404-T406 WeakPolarHBondContact OD1-CB 3.25Å; D404-T406 WeakPolarHBondContact OD1-CG2 3.4Å; D404-T406 PolarHBondContact OD1-N 3.11Å; D404-T406 PolarHBondContact OD1-OG1 3.01Å
407	Q	95	Very high	95.2	Very high	63 Å²	63	70.1 Å²	70.1	29%	0.294	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	129.3	-179.3	-69	-175.2	-26.7	0	0	110.6	L399 K400 T401 R420	L399-Q407 HydrophobicContact CD1-CB 3.98Å; L399-Q407 HydrophobicContact CD1-CG 4.39Å; K400-Q407 WeakPolarHBondContact O-CA 3.12Å; T401-Q407 HydrophobicContact CG2-CG 4.47Å; T401-Q407 PolarHBondContact OG1-NE2 3.05Å; Q407-R420 HydrophobicContact CB-CG 4.24Å; Q407-R420 VanDerWaalsContact OE1-NH1 3.17Å
408	T	96.8	Very high	95.3	Very high	19 Å²	19	70.2 Å²	70.2	12%	0.117	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	155.8	173.3	61.2	0	0	0	0	110.9	K400 H402 F418	K400-T408 PolarHBondContact N-O 3.44Å; K400-T408 PolarHBondContact O-N 3Å; H402-T408 WeakPolarHBondContact NE2-CG2 3.36Å; H402-T408 PolarHBondContact NE2-OG1 2.86Å; T408-F418 CarbonylContact C-O 3.51Å; T408-F418 VanDerWaalsContact CA-O 3.23Å; T408-F418 WeakPolarHBondContact CA-O 3.23Å; T408-F418 WeakPolarHBondContact CB-O 3.5Å
409	L	97.3	Very high	95.3	Very high	0 Å²	0	72.9 Å²	72.9	0%	0	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	145	176.8	-82.4	59.9	0	0	0	111.2	E305 M306 V398 D417 F418 R420 A423 I427	E305-L409 VanDerWaalsContact O-CD2 3.26Å; E305-L409 WeakPolarHBondContact O-CD2 3.45Å; M306-L409 HydrophobicContact SD-CD1 4.48Å; V398-L409 CarbonylContact O-C 3.47Å; V398-L409 VanDerWaalsContact O-CA 3.28Å; V398-L409 WeakPolarHBondContact O-CA 3.35Å; L409-D417 PolarHBondContact O-N 3.46Å; L409-F418 PolarHBondContact N-O 3.28Å; L409-R420 HydrophobicContact CD1-CG 4.08Å; L409-A423 HydrophobicContact CD1-CB 3.9Å; L409-A423 HydrophobicContact CD2-CB 3.22Å; L409-A423 HydrophobicContact CG-CB 4.17Å; L409-I427 HydrophobicContact CD2-CD1 4.35Å
410	I	97.4	Very high	95.2	Very high	44 Å²	44	75.4 Å²	75.4	23%	0.226	39%	0.387	C	S	.	.			trans	-129.3	164.2	169	61.2	174.3	0	0	0	108.5	T397 V398 K400 S412	T397-I410 HydrophobicContact CG2-CD1 4.42Å; V398-I410 WeakPolarHBondContact CA-O 3.43Å; V398-I410 WeakPolarHBondContact CB-O 3.46Å; V398-I410 PolarHBondContact O-N 3.16Å; K400-I410 HydrophobicContact CB-CD1 4.25Å; K400-I410 HydrophobicContact CB-CG1 4.46Å; K400-I410 HydrophobicContact CB-CG2 3.77Å; K400-I410 HydrophobicContact CD-CG2 4.02Å; I410-S412 PolarHBondContact O-N 3.15Å; I410-S412 PolarHBondContact O-OG 3.18Å
411	N	96.8	Very high	95.2	Very high	99 Å²	99	76.9 Å²	76.9	53%	0.529	40%	0.396	S	S	.	.	S	Bend	trans	51.6	25	175.9	-56.6	-38.4	0	0	0	114.8	T396 T397 V398	T396-N411 HydrophobicContact CG2-CB 3.5Å; T396-N411 VanDerWaalsContact CG2-CB 3.5Å; T397-N411 PolarHBondContact O-ND2 2.83Å; V398-N411 HydrophobicContact CG1-CB 4.33Å
412	S	96.7	Very high	95.4	Very high	0 Å²	0	77.4 Å²	77.4	0%	0	39%	0.392	C	S	.	.	S	Bend	trans	-113	36.7	-173.6	-63	0	0	0	0	110.9	I410 K414 F415 S416	I410-S412 PolarHBondContact O-N 3.15Å; I410-S412 PolarHBondContact O-OG 3.18Å; S412-K414 PolarHBondContact O-N 3.21Å; S412-F415 WeakPolarHBondContact O-CB 3.14Å; S412-F415 WeakPolarHBondContact O-CD2 3.41Å; S412-F415 PolarHBondContact O-N 2.87Å; S412-S416 PolarHBondContact N-OG 3Å; S412-S416 VanDerWaalsContact N-OG 3.14Å
413	Q	94.9	Very high	95.6	Very high	124 Å²	124	74.3 Å²	74.3	58%	0.579	38%	0.378	S	S	*	.	G	3₁₀ helix	trans	49.7	-128.6	-174.1	-57.2	-178.2	1.5	0	0	111.3	Y308 F415 S416	Y308-Q413 HydrophobicContact CD1-CG 4.37Å; Y308-Q413 HydrophobicContact CE1-CB 4.42Å; Y308-Q413 HydrophobicContact CE1-CG 3.71Å; Y308-Q413 PolarHBondContact OH-OE1 2.9Å; Q413-F415 PolarHBondContact O-N 3.36Å; Q413-F415 VanDerWaalsContact O-N 3.15Å; Q413-S416 WeakPolarHBondContact O-CB 3.37Å; Q413-S416 PolarHBondContact O-N 3.39Å; Q413-S416 VanDerWaalsContact O-N 3.12Å; Q413-S416 PolarHBondContact O-OG 3.48Å
414	K	95.7	Very high	95.8	Very high	131 Å²	131	65.5 Å²	65.5	57%	0.57	34%	0.341	S	S	*	.	G	3₁₀ helix	trans	-65.8	-9.2	179.6	69.1	178.1	-176.3	178.1	0	115.1	S412	S412-K414 PolarHBondContact O-N 3.21Å
415	F	96.8	Very high	96	Very high	7 Å²	7	65 Å²	65	3%	0.031	34%	0.335	C	S	.	.	G	3₁₀ helix	trans	-95.6	1.5	176.9	-50.5	-75.1	0	0	0	112.1	Y308 F352 S412 Q413 F418 I427 K430	Y308-F415 AromaticContact CE2-CD2 3.72Å; Y308-F415 HydrophobicContact CE2-CD2 3.72Å; Y308-F415 HydrophobicContact CE2-CE2 4Å; F352-F415 HydrophobicContact CE1-CE2 4.42Å; F352-F415 AromaticContact CZ-CE2 3.85Å; F352-F415 HydrophobicContact CZ-CE2 3.85Å; F352-F415 HydrophobicContact CZ-CZ 4.04Å; S412-F415 WeakPolarHBondContact O-CB 3.14Å; S412-F415 WeakPolarHBondContact O-CD2 3.41Å; S412-F415 PolarHBondContact O-N 2.87Å; Q413-F415 PolarHBondContact O-N 3.36Å; Q413-F415 VanDerWaalsContact O-N 3.15Å; F415-F418 HydrophobicContact CD1-CD2 4.41Å; F415-F418 HydrophobicContact CD1-CE2 4.21Å; F415-F418 WeakPolarHBondContact O-CB 3.47Å; F415-F418 PolarHBondContact O-N 3.39Å; F415-I427 HydrophobicContact CB-CD1 4.33Å; F415-I427 HydrophobicContact CB-CG1 4.49Å; F415-I427 HydrophobicContact CD1-CG1 3.92Å; F415-I427 HydrophobicContact CD2-CD1 4.2Å; F415-I427 HydrophobicContact CD2-CG1 3.78Å; F415-I427 HydrophobicContact CE1-CG1 3.96Å; F415-I427 HydrophobicContact CE2-CG1 3.84Å; F415-I427 HydrophobicContact CG-CD1 4.15Å; F415-I427 HydrophobicContact CG-CG1 3.81Å; F415-I427 HydrophobicContact CZ-CG1 3.9Å; F415-K430 HydrophobicContact CZ-CB 4.24Å; F415-K430 HydrophobicContact CZ-CG 4.45Å
416	S	96.8	Very high	96.4	Very high	34 Å²	34	64.3 Å²	64.3	24%	0.238	32%	0.322	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.5	149.5	170.4	-51.1	0	0	0	0	110.1	S412 Q413 F418	S412-S416 PolarHBondContact N-OG 3Å; S412-S416 VanDerWaalsContact N-OG 3.14Å; Q413-S416 WeakPolarHBondContact O-CB 3.37Å; Q413-S416 PolarHBondContact O-N 3.39Å; Q413-S416 VanDerWaalsContact O-N 3.12Å; Q413-S416 PolarHBondContact O-OG 3.48Å; S416-F418 PolarHBondContact O-N 3.2Å
417	D	95.9	Very high	96.7	Very high	132 Å²	132	60.9 Å²	60.9	71%	0.706	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	68.8	-2.2	-174.9	-52.7	-47.8	0	0	0	115.8	L409	L409-D417 PolarHBondContact O-N 3.46Å
418	F	97.6	Very high	96.9	Very high	68 Å²	68	58.1 Å²	58.1	30%	0.298	29%	0.288	S	S	.	.			trans	-73.2	148.1	173	-75.8	20.6	0	0	0	110.6	T408 L409 F415 S416 Q422 A423 S426	T408-F418 CarbonylContact C-O 3.51Å; T408-F418 VanDerWaalsContact CA-O 3.23Å; T408-F418 WeakPolarHBondContact CA-O 3.23Å; T408-F418 WeakPolarHBondContact CB-O 3.5Å; L409-F418 PolarHBondContact N-O 3.28Å; F415-F418 HydrophobicContact CD1-CD2 4.41Å; F415-F418 HydrophobicContact CD1-CE2 4.21Å; F415-F418 WeakPolarHBondContact O-CB 3.47Å; F415-F418 PolarHBondContact O-N 3.39Å; S416-F418 PolarHBondContact O-N 3.2Å; F418-Q422 HydrophobicContact CB-CB 4.09Å; F418-Q422 HydrophobicContact CD2-CB 4Å; F418-Q422 HydrophobicContact CG-CB 4.25Å; F418-A423 HydrophobicContact CB-CB 4.05Å; F418-S426 WeakPolarHBondContact CE2-OG 3.21Å
419	T	96.8	Very high	96.9	Very high	57 Å²	57	62.1 Å²	62.1	35%	0.35	31%	0.305	S	S	.	.	B	Isolated β-bridge	trans	-66.2	160	162.8	71.7	0	0	0	0	109.8	E421 Q422 A423	T419-E421 VanDerWaalsContact C-N 3.26Å; T419-E421 PolarHBondContact O-N 2.82Å; T419-Q422 PolarHBondContact O-N 3.34Å; T419-Q422 WeakPolarHBondContact OG1-CG 3.12Å; T419-Q422 PolarHBondContact OG1-N 3.49Å; T419-Q422 PolarHBondContact OG1-OE1 3.39Å; T419-A423 WeakPolarHBondContact O-CB 3.35Å; T419-A423 PolarHBondContact O-N 2.95Å
420	R	95.3	Very high	96.9	Very high	78 Å²	78	64.9 Å²	64.9	29%	0.294	32%	0.318	S	S	.	.	H	α-helix	trans	-55.3	-40.6	178.2	-70.6	-174	66.5	176.5	2	113.2	E305 L399 Q407 L409 A423 L424	E305-R420 HydrophobicContact CG-CB 4.21Å; E305-R420 HydrophobicContact CG-CG 4.39Å; E305-R420 IonicContact OE1-CZ 3.26Å; E305-R420 IonicContact OE1-NE 3.8Å; E305-R420 PolarHBondContact OE1-NE 2.9Å; E305-R420 IonicContact OE1-NH2 2.79Å; E305-R420 PolarHBondContact OE1-NH2 3.48Å; L399-R420 HydrophobicContact CD1-CG 4.31Å; Q407-R420 HydrophobicContact CB-CG 4.24Å; Q407-R420 VanDerWaalsContact OE1-NH1 3.17Å; L409-R420 HydrophobicContact CD1-CG 4.08Å; R420-A423 PolarHBondContact O-N 3.28Å; R420-L424 WeakPolarHBondContact O-CB 3.31Å; R420-L424 PolarHBondContact O-N 3.05Å
421	E	96	Very high	96.9	Very high	135 Å²	135	62.8 Å²	62.8	63%	0.631	31%	0.307	S	S	*	.	H	α-helix	trans	-66.5	-46.7	178.9	-174.1	-179.6	-179.5	0	0	112.2	T419 A423 L424 Q425	T419-E421 VanDerWaalsContact C-N 3.26Å; T419-E421 PolarHBondContact O-N 2.82Å; E421-A423 VanDerWaalsContact C-N 3.28Å; E421-A423 PolarHBondContact O-N 3.45Å; E421-L424 PolarHBondContact O-N 3.24Å; E421-Q425 WeakPolarHBondContact O-CG 3.43Å; E421-Q425 PolarHBondContact O-N 3.36Å; E421-Q425 VanDerWaalsContact O-N 3.1Å
422	Q	97.4	Very high	96.9	Very high	97 Å²	97	63.5 Å²	63.5	45%	0.453	30%	0.302	S	S	.	.	H	α-helix	trans	-60.5	-41.5	176.6	-72.1	172.1	-31.6	0	0	111.3	F418 T419 S426	F418-Q422 HydrophobicContact CB-CB 4.09Å; F418-Q422 HydrophobicContact CD2-CB 4Å; F418-Q422 HydrophobicContact CG-CB 4.25Å; T419-Q422 PolarHBondContact O-N 3.34Å; T419-Q422 WeakPolarHBondContact OG1-CG 3.12Å; T419-Q422 PolarHBondContact OG1-N 3.49Å; T419-Q422 PolarHBondContact OG1-OE1 3.39Å; Q422-S426 VanDerWaalsContact O-CB 3.29Å; Q422-S426 WeakPolarHBondContact O-CB 3.38Å; Q422-S426 PolarHBondContact O-N 2.95Å; Q422-S426 PolarHBondContact O-OG 2.79Å
423	A	97.4	Very high	96.9	Very high	0 Å²	0	68.9 Å²	68.9	0%	0	33%	0.327	C	S	.	.	H	α-helix	trans	-66.5	-45.3	177.9	0	0	0	0	0	112.2	E305 L409 F418 T419 R420 E421 Q425 S426 I427	E305-A423 HydrophobicContact CB-CB 3.87Å; L409-A423 HydrophobicContact CD1-CB 3.9Å; L409-A423 HydrophobicContact CD2-CB 3.22Å; L409-A423 HydrophobicContact CG-CB 4.17Å; F418-A423 HydrophobicContact CB-CB 4.05Å; T419-A423 WeakPolarHBondContact O-CB 3.35Å; T419-A423 PolarHBondContact O-N 2.95Å; R420-A423 PolarHBondContact O-N 3.28Å; E421-A423 VanDerWaalsContact C-N 3.28Å; E421-A423 PolarHBondContact O-N 3.45Å; A423-Q425 VanDerWaalsContact C-N 3.34Å; A423-Q425 PolarHBondContact O-N 2.71Å; A423-S426 PolarHBondContact O-N 3.07Å; A423-I427 HydrophobicContact CB-CD1 4.38Å; A423-I427 VanDerWaalsContact O-CB 3.23Å; A423-I427 WeakPolarHBondContact O-CB 3.25Å; A423-I427 WeakPolarHBondContact O-CG1 3.46Å; A423-I427 PolarHBondContact O-N 3.38Å
424	L	97.6	Very high	96.9	Very high	42 Å²	42	67.3 Å²	67.3	22%	0.22	32%	0.32	C	S	.	.	H	α-helix	trans	-54.5	-51.5	176.4	178.7	62.6	0	0	0	110.6	P304 E305 R420 E421 S426 T428 L440	P304-L424 HydrophobicContact CB-CD1 3.8Å; P304-L424 HydrophobicContact CG-CD1 3.92Å; E305-L424 HydrophobicContact CB-CB 4.07Å; R420-L424 WeakPolarHBondContact O-CB 3.31Å; R420-L424 PolarHBondContact O-N 3.05Å; E421-L424 PolarHBondContact O-N 3.24Å; L424-S426 PolarHBondContact O-N 3.29Å; L424-T428 HydrophobicContact CD1-CG2 3.96Å; L424-T428 VanDerWaalsContact O-CB 3.3Å; L424-T428 WeakPolarHBondContact O-CB 3.42Å; L424-T428 WeakPolarHBondContact O-CG2 3.27Å; L424-T428 PolarHBondContact O-N 2.9Å; L424-T428 VanDerWaalsContact O-N 3.08Å; L424-T428 PolarHBondContact O-OG1 3.17Å; L424-L440 HydrophobicContact CD1-CD2 4.21Å
425	Q	97	Very high	96.9	Very high	111 Å²	111	63.9 Å²	63.9	52%	0.519	32%	0.322	S	S	.	.	H	α-helix	trans	-61	-47.4	178.9	-67.7	174.9	4.6	0	0	111.6	E421 A423 T428 Q429	E421-Q425 WeakPolarHBondContact O-CG 3.43Å; E421-Q425 PolarHBondContact O-N 3.36Å; E421-Q425 VanDerWaalsContact O-N 3.1Å; A423-Q425 VanDerWaalsContact C-N 3.34Å; A423-Q425 PolarHBondContact O-N 2.71Å; Q425-T428 PolarHBondContact O-OG1 3.47Å; Q425-Q429 WeakPolarHBondContact O-CB 3.48Å; Q425-Q429 PolarHBondContact O-N 3.5Å
426	S	97.8	Very high	96.8	Very high	38 Å²	38	64.2 Å²	64.2	27%	0.266	32%	0.324	S	S	.	.	H	α-helix	trans	-72.1	-40.3	-174.2	-57.2	0	0	0	0	113.2	F418 Q422 A423 L424 K430	F418-S426 WeakPolarHBondContact CE2-OG 3.21Å; Q422-S426 VanDerWaalsContact O-CB 3.29Å; Q422-S426 WeakPolarHBondContact O-CB 3.38Å; Q422-S426 PolarHBondContact O-N 2.95Å; Q422-S426 PolarHBondContact O-OG 2.79Å; A423-S426 PolarHBondContact O-N 3.07Å; L424-S426 PolarHBondContact O-N 3.29Å; S426-K430 VanDerWaalsContact O-CB 3.26Å; S426-K430 WeakPolarHBondContact O-CB 3.5Å; S426-K430 PolarHBondContact O-N 3.48Å
427	I	98.3	Very high	96.8	Very high	0 Å²	0	63.2 Å²	63.2	0%	0	32%	0.32	C	S	.	.	H	α-helix	trans	-68.3	-49.9	178.2	-76.6	167	0	0	0	110.1	F282 E305 V307 F352 L409 F415 A423 Q429 K430 A431	F282-I427 HydrophobicContact CE1-CG2 4.34Å; F282-I427 HydrophobicContact CZ-CG2 3.96Å; E305-I427 WeakPolarHBondContact O-CD1 3.42Å; V307-I427 HydrophobicContact CG1-CG2 4.06Å; F352-I427 HydrophobicContact CD1-CG2 4.4Å; F352-I427 HydrophobicContact CE1-CB 4.34Å; F352-I427 HydrophobicContact CE1-CG1 4.22Å; F352-I427 HydrophobicContact CE1-CG2 3.57Å; F352-I427 HydrophobicContact CZ-CB 4.18Å; F352-I427 HydrophobicContact CZ-CG1 4.15Å; F352-I427 HydrophobicContact CZ-CG2 3.75Å; L409-I427 HydrophobicContact CD2-CD1 4.35Å; F415-I427 HydrophobicContact CB-CD1 4.33Å; F415-I427 HydrophobicContact CB-CG1 4.49Å; F415-I427 HydrophobicContact CD1-CG1 3.92Å; F415-I427 HydrophobicContact CD2-CD1 4.2Å; F415-I427 HydrophobicContact CD2-CG1 3.78Å; F415-I427 HydrophobicContact CE1-CG1 3.96Å; F415-I427 HydrophobicContact CE2-CG1 3.84Å; F415-I427 HydrophobicContact CG-CD1 4.15Å; F415-I427 HydrophobicContact CG-CG1 3.81Å; F415-I427 HydrophobicContact CZ-CG1 3.9Å; A423-I427 HydrophobicContact CB-CD1 4.38Å; A423-I427 VanDerWaalsContact O-CB 3.23Å; A423-I427 WeakPolarHBondContact O-CB 3.25Å; A423-I427 WeakPolarHBondContact O-CG1 3.46Å; A423-I427 PolarHBondContact O-N 3.38Å; I427-Q429 VanDerWaalsContact C-N 3.34Å; I427-Q429 PolarHBondContact O-N 3.35Å; I427-K430 PolarHBondContact O-N 3.28Å; I427-A431 WeakPolarHBondContact O-CB 3.25Å; I427-A431 PolarHBondContact O-N 3.1Å
428	T	97.9	Very high	96.8	Very high	4 Å²	4	57 Å²	57	3%	0.025	29%	0.286	C	S	.	.	H	α-helix	trans	-64.6	-38.5	-179.8	57.3	0	0	0	0	111.9	P304 L424 Q425 R432 G438 L440	P304-T428 HydrophobicContact CB-CG2 3.95Å; L424-T428 HydrophobicContact CD1-CG2 3.96Å; L424-T428 VanDerWaalsContact O-CB 3.3Å; L424-T428 WeakPolarHBondContact O-CB 3.42Å; L424-T428 WeakPolarHBondContact O-CG2 3.27Å; L424-T428 PolarHBondContact O-N 2.9Å; L424-T428 VanDerWaalsContact O-N 3.08Å; L424-T428 PolarHBondContact O-OG1 3.17Å; Q425-T428 PolarHBondContact O-OG1 3.47Å; T428-R432 VanDerWaalsContact O-CG 3.3Å; T428-R432 WeakPolarHBondContact O-CG 3.5Å; T428-R432 PolarHBondContact O-N 2.67Å; T428-R432 VanDerWaalsContact O-N 3.17Å; T428-R432 PolarHBondContact O-NE 3.32Å; T428-G438 VanDerWaalsContact CB-O 3.31Å; T428-G438 WeakPolarHBondContact CB-O 3.44Å; T428-L440 HydrophobicContact CG2-CD2 4Å; T428-L440 HydrophobicContact CG2-CG 4.39Å
429	Q	97.6	Very high	96.9	Very high	103 Å²	103	56.3 Å²	56.3	48%	0.481	28%	0.284	S	S	.	.	H	α-helix	trans	-61.1	-50.1	171	179.9	177	-3.9	0	0	111.5	Q425 I427 A431 R432 E433	Q425-Q429 WeakPolarHBondContact O-CB 3.48Å; Q425-Q429 PolarHBondContact O-N 3.5Å; I427-Q429 VanDerWaalsContact C-N 3.34Å; I427-Q429 PolarHBondContact O-N 3.35Å; Q429-A431 VanDerWaalsContact C-N 3.34Å; Q429-A431 PolarHBondContact O-N 3.23Å; Q429-R432 PolarHBondContact O-N 3.28Å; Q429-E433 WeakPolarHBondContact CG-OE1 3.49Å; Q429-E433 PolarHBondContact NE2-OE1 3.14Å; Q429-E433 VanDerWaalsContact NE2-OE1 3.12Å; Q429-E433 WeakPolarHBondContact O-CG 3.35Å; Q429-E433 PolarHBondContact O-N 2.88Å
430	K	97.9	Very high	96.9	Very high	59 Å²	59	55.1 Å²	55.1	26%	0.257	28%	0.275	S	S	.	.	H	α-helix	trans	-65	-37.4	-176.9	-169	72	-148.4	158.7	0	112.7	F352 F415 S426 I427 E433 Q434	F352-K430 HydrophobicContact CE2-CB 3.91Å; F352-K430 HydrophobicContact CE2-CG 3.97Å; F352-K430 HydrophobicContact CZ-CB 4.39Å; F415-K430 HydrophobicContact CZ-CB 4.24Å; F415-K430 HydrophobicContact CZ-CG 4.45Å; S426-K430 VanDerWaalsContact O-CB 3.26Å; S426-K430 WeakPolarHBondContact O-CB 3.5Å; S426-K430 PolarHBondContact O-N 3.48Å; I427-K430 PolarHBondContact O-N 3.28Å; K430-E433 WeakPolarHBondContact CD-OE2 3.3Å; K430-E433 IonicContact NZ-OE2 3.76Å; K430-E433 PolarHBondContact NZ-OE2 3.06Å; K430-E433 PolarHBondContact O-N 3.18Å; K430-Q434 WeakPolarHBondContact O-CG 3.48Å; K430-Q434 PolarHBondContact O-N 2.72Å; K430-Q434 VanDerWaalsContact O-N 3.11Å
431	A	97.7	Very high	97	Very high	0 Å²	0	51.5 Å²	51.5	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-64.7	-38.9	175.8	0	0	0	0	0	112	F282 F352 I427 Q429 Q434 G435 V436 G437	F282-A431 HydrophobicContact CD1-CB 4.32Å; F282-A431 HydrophobicContact CE1-CB 3.76Å; F352-A431 HydrophobicContact CD2-CB 3.7Å; F352-A431 HydrophobicContact CE2-CB 3.96Å; F352-A431 HydrophobicContact CG-CB 4.26Å; I427-A431 WeakPolarHBondContact O-CB 3.25Å; I427-A431 PolarHBondContact O-N 3.1Å; Q429-A431 VanDerWaalsContact C-N 3.34Å; Q429-A431 PolarHBondContact O-N 3.23Å; A431-Q434 PolarHBondContact O-N 3.33Å; A431-G435 PolarHBondContact O-N 2.89Å; A431-G435 VanDerWaalsContact O-N 3.1Å; A431-V436 HydrophobicContact CB-CG2 4.23Å; A431-V436 PolarHBondContact O-N 3.09Å; A431-V436 VanDerWaalsContact O-N 3.09Å; A431-G437 CarbonylContact C-O 3.3Å; A431-G437 VanDerWaalsContact C-O 3.28Å
432	R	96.2	Very high	97	Very high	114 Å²	114	45.1 Å²	45.1	43%	0.43	23%	0.232	S	C	.	.	H	α-helix	trans	-64.4	-45.3	173.3	-73.4	-178.6	-70.9	179.1	-0.9	112.2	T428 Q429 Q434 G435 G437 G438	T428-R432 VanDerWaalsContact O-CG 3.3Å; T428-R432 WeakPolarHBondContact O-CG 3.5Å; T428-R432 PolarHBondContact O-N 2.67Å; T428-R432 VanDerWaalsContact O-N 3.17Å; T428-R432 PolarHBondContact O-NE 3.32Å; Q429-R432 PolarHBondContact O-N 3.28Å; R432-Q434 PolarHBondContact O-N 2.76Å; R432-G435 PolarHBondContact O-N 2.64Å; R432-G437 WeakPolarHBondContact CA-O 3.38Å; R432-G437 WeakPolarHBondContact CG-O 3.3Å; R432-G437 PolarHBondContact N-O 3.25Å; R432-G438 WeakPolarHBondContact CD-O 3.47Å
433	E	96.3	Very high	96.8	Very high	112 Å²	112	41.7 Å²	41.7	52%	0.523	22%	0.219	S	C	.	.	H	α-helix	trans	-59.5	-29.7	175.8	-71.5	171.9	-171.3	0	0	112.9	Q429 K430	Q429-E433 WeakPolarHBondContact CG-OE1 3.49Å; Q429-E433 PolarHBondContact NE2-OE1 3.14Å; Q429-E433 VanDerWaalsContact NE2-OE1 3.12Å; Q429-E433 WeakPolarHBondContact O-CG 3.35Å; Q429-E433 PolarHBondContact O-N 2.88Å; K430-E433 WeakPolarHBondContact CD-OE2 3.3Å; K430-E433 IonicContact NZ-OE2 3.76Å; K430-E433 PolarHBondContact NZ-OE2 3.06Å; K430-E433 PolarHBondContact O-N 3.18Å
434	Q	95.7	Very high	96.4	Very high	92 Å²	92	45.9 Å²	45.9	43%	0.43	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.9	-8.8	177.4	-73.2	176.6	-2.2	0	0	113.4	K430 A431 R432 V436	K430-Q434 WeakPolarHBondContact O-CG 3.48Å; K430-Q434 PolarHBondContact O-N 2.72Å; K430-Q434 VanDerWaalsContact O-N 3.11Å; A431-Q434 PolarHBondContact O-N 3.33Å; R432-Q434 PolarHBondContact O-N 2.76Å; Q434-V436 VanDerWaalsContact C-N 3.35Å; Q434-V436 HydrophobicContact CB-CG1 4.33Å; Q434-V436 HydrophobicContact CB-CG2 3.81Å
435	G	94.6	Very high	96.2	Very high	59 Å²	59	44 Å²	44	61%	0.608	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	66.3	32.7	-176.9	0	0	0	0	0	113.8	A431 R432	A431-G435 PolarHBondContact O-N 2.89Å; A431-G435 VanDerWaalsContact O-N 3.1Å; R432-G435 PolarHBondContact O-N 2.64Å
436	V	96.1	Very high	95.8	Very high	13 Å²	13	42.6 Å²	42.6	8%	0.079	22%	0.217	C	C	.	.	S	Bend	trans	-119.9	19	-175.6	-61.8	0	0	0	0	113.1	F282 D283 R351 F352 A431 Q434	F282-V436 WeakPolarHBondContact CA-O 3.38Å; D283-V436 PolarHBondContact N-O 3.42Å; R351-V436 HydrophobicContact CB-CB 3.97Å; R351-V436 HydrophobicContact CB-CG1 3.61Å; F352-V436 HydrophobicContact CB-CG2 3.8Å; F352-V436 HydrophobicContact CD2-CG2 4.19Å; F352-V436 HydrophobicContact CG-CG2 4.48Å; A431-V436 HydrophobicContact CB-CG2 4.23Å; A431-V436 PolarHBondContact O-N 3.09Å; A431-V436 VanDerWaalsContact O-N 3.09Å; Q434-V436 VanDerWaalsContact C-N 3.35Å; Q434-V436 HydrophobicContact CB-CG1 4.33Å; Q434-V436 HydrophobicContact CB-CG2 3.81Å
437	G	95.8	Very high	95.6	Very high	14 Å²	14	42 Å²	42	14%	0.144	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	117.1	-146.4	-178.2	0	0	0	0	0	113.3	Y281 A431 R432	Y281-G437 VanDerWaalsContact O-CA 3.22Å; Y281-G437 WeakPolarHBondContact O-CA 3.39Å; A431-G437 CarbonylContact C-O 3.3Å; A431-G437 VanDerWaalsContact C-O 3.28Å; R432-G437 WeakPolarHBondContact CA-O 3.38Å; R432-G437 WeakPolarHBondContact CG-O 3.3Å; R432-G437 PolarHBondContact N-O 3.25Å
438	G	96.9	Very high	95.3	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	82.2	8.6	176.8	0	0	0	0	0	115.7	Y281 T428 R432 L440	Y281-G438 PolarHBondContact O-N 2.91Å; T428-G438 VanDerWaalsContact CB-O 3.31Å; T428-G438 WeakPolarHBondContact CB-O 3.44Å; R432-G438 WeakPolarHBondContact CD-O 3.47Å; G438-L440 PolarHBondContact O-N 2.81Å
439	H	97.8	Very high	95	Very high	54 Å²	54	45 Å²	45	25%	0.25	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	115.3	171.4	-64.1	-96	0	0	0	109.8	N248 C280 T441	N248-H439 HydrophobicContact CB-CB 4.16Å; N248-H439 PolarHBondContact O-ND1 3.08Å; N248-H439 VanDerWaalsContact O-ND1 3.09Å; C280-H439 WeakPolarHBondContact CB-O 3.29Å; H439-T441 PolarHBondContact O-N 3Å
440	L	98.2	Very high	94.6	Very high	33 Å²	33	41.9 Å²	41.9	17%	0.173	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63	126.3	178.8	-71.8	178.6	0	0	0	110.8	K251 G279 P304 L424 T428 G438	K251-L440 HydrophobicContact CB-CB 3.76Å; K251-L440 WeakPolarHBondContact CB-O 3.5Å; K251-L440 HydrophobicContact CG-CB 4.1Å; K251-L440 HydrophobicContact CG-CD1 4.37Å; K251-L440 PolarHBondContact N-O 3.22Å; G279-L440 CarbonylContact O-C 3.51Å; G279-L440 VanDerWaalsContact O-CA 3.27Å; G279-L440 WeakPolarHBondContact O-CA 3.45Å; G279-L440 WeakPolarHBondContact O-CD2 3.3Å; P304-L440 HydrophobicContact CG-CD2 4.39Å; L424-L440 HydrophobicContact CD1-CD2 4.21Å; T428-L440 HydrophobicContact CG2-CD2 4Å; T428-L440 HydrophobicContact CG2-CG 4.39Å; G438-L440 PolarHBondContact O-N 2.81Å
441	T	97.1	Very high	94	Very high	1 Å²	1	39.5 Å²	39.5	1%	0.006	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.6	167.8	-178.9	-171.7	0	0	0	0	109.8	A250 C277 G279 Y281 Y300 H439	A250-T441 WeakPolarHBondContact CB-OG1 3.34Å; C277-T441 WeakPolarHBondContact CA-O 3.44Å; G279-T441 CarbonylContact C-O 3.58Å; G279-T441 PolarHBondContact N-O 2.81Å; G279-T441 PolarHBondContact O-N 2.82Å; Y281-T441 HydrophobicContact CD2-CG2 3.88Å; Y281-T441 HydrophobicContact CE2-CG2 3.79Å; Y300-T441 HydrophobicContact CE2-CG2 4.24Å; H439-T441 PolarHBondContact O-N 3Å
442	S	95.1	Very high	93.2	Very high	1 Å²	1	42.9 Å²	42.9	1%	0.007	21%	0.213	C	C	.	.			trans	-89.4	167.8	171.2	77.1	0	0	0	0	111.6	I274 E276 K444 L445	I274-S442 WeakPolarHBondContact O-CB 3.28Å; I274-S442 PolarHBondContact O-OG 3.45Å; E276-S442 VanDerWaalsContact O-CA 3.25Å; E276-S442 WeakPolarHBondContact O-CA 3.2Å; E276-S442 WeakPolarHBondContact O-CB 3.37Å; S442-K444 PolarHBondContact OG-N 3.42Å; S442-K444 VanDerWaalsContact OG-N 3.1Å; S442-L445 PolarHBondContact OG-N 3.08Å
443	S	92.9	Very high	92.2	Very high	26 Å²	26	41.2 Å²	41.2	18%	0.182	21%	0.21	C	C	.	.	S	Bend	trans	-68.9	-20	166.2	47.9	0	0	0	0	113.6	Y300 D369	Y300-S443 PolarHBondContact OH-N 2.96Å; D369-S443 WeakPolarHBondContact CB-O 3.49Å; D369-S443 VanDerWaalsContact OD2-CB 3.32Å; D369-S443 WeakPolarHBondContact OD2-CB 3.18Å; D369-S443 PolarHBondContact OD2-OG 3.33Å
444	K	91.1	Very high	91.1	Very high	87 Å²	87	38.4 Å²	38.4	38%	0.378	19%	0.194	S	C	.	.	S	Bend	trans	-83.1	-38	-176.2	-69.2	-178.9	177.4	-176.5	0	113.6	D369 Y370 S442	D369-K444 HydrophobicContact CB-CG 4.01Å; D369-K444 WeakPolarHBondContact OD1-CE 3.22Å; D369-K444 WeakPolarHBondContact OD1-CG 3.37Å; D369-K444 VanDerWaalsContact OD2-CG 3.26Å; D369-K444 WeakPolarHBondContact OD2-CG 3.41Å; Y370-K444 VanDerWaalsContact CD2-O 3.25Å; Y370-K444 WeakPolarHBondContact CD2-O 3.46Å; S442-K444 PolarHBondContact OG-N 3.42Å; S442-K444 VanDerWaalsContact OG-N 3.1Å
445	L	91.6	Very high	90	Very high	4 Å²	4	37.1 Å²	37.1	2%	0.021	19%	0.186	C	C	.	.			trans	-77.8	129.2	-171.3	-174.4	68.6	0	0	0	110.2	T247 A250 S442 Y537	T247-L445 HydrophobicContact CG2-CB 4.38Å; T247-L445 HydrophobicContact CG2-CD2 4.15Å; T247-L445 HydrophobicContact CG2-CG 4.04Å; T247-L445 WeakPolarHBondContact CG2-O 3.12Å; A250-L445 HydrophobicContact CB-CD2 3.53Å; S442-L445 PolarHBondContact OG-N 3.08Å; L445-Y537 WeakPolarHBondContact CD2-OH 3.3Å
446	R	89.4	Confident	89.5	Confident	80 Å²	80	34.7 Å²	34.7	30%	0.302	16%	0.158	S	C	.	.			trans	-104.7	157.9	173.9	-73.1	-175.1	-89.3	174.6	2	111.3	D218 T246 Y370	D218-R446 IonicContact OD1-CZ 3.79Å; D218-R446 IonicContact OD1-NH1 2.64Å; D218-R446 PolarHBondContact OD1-NH1 3.29Å; D218-R446 IonicContact OD1-NH2 3.43Å; D218-R446 PolarHBondContact OD1-NH2 3.43Å; D218-R446 IonicContact OD2-CZ 3.6Å; D218-R446 IonicContact OD2-NE 3.13Å; D218-R446 PolarHBondContact OD2-NE 3.41Å; D218-R446 IonicContact OD2-NH1 2.75Å; D218-R446 PolarHBondContact OD2-NH1 2.67Å; D218-R446 IonicContact OD2-NH2 3.06Å; D218-R446 PolarHBondContact OD2-NH2 2.95Å; T246-R446 PolarHBondContact OG1-O 2.78Å; Y370-R446 VanDerWaalsContact CD1-NH2 3.35Å; Y370-R446 HydrophobicContact CD2-CG 4.37Å; Y370-R446 HydrophobicContact CG-CG 4.37Å; Y370-R446 VanDerWaalsContact CG-NE 3.27Å; Y370-R446 VanDerWaalsContact CZ-NH2 3.3Å
447	D	92.5	Very high	88.9	Confident	27 Å²	27	35.1 Å²	35.1	14%	0.144	17%	0.166	C	C	.	.			trans	-68.9	145.8	171.7	-75.2	-17.3	0	0	0	111	Y200 F243 I244 K245 T247 L449	Y200-D447 HydrophobicContact CE1-CB 4.47Å; Y200-D447 WeakPolarHBondContact CE1-OD2 3.49Å; Y200-D447 PolarHBondContact OH-OD2 3.43Å; F243-D447 HydrophobicContact CB-CB 4.28Å; F243-D447 HydrophobicContact CD1-CB 4.34Å; I244-D447 WeakPolarHBondContact O-CB 3.29Å; K245-D447 VanDerWaalsContact CA-OD1 3.31Å; K245-D447 WeakPolarHBondContact CA-OD1 3.48Å; T247-D447 WeakPolarHBondContact CB-OD1 3.31Å; T247-D447 WeakPolarHBondContact CG2-OD1 3.27Å; T247-D447 PolarHBondContact N-OD1 3.27Å; T247-D447 PolarHBondContact OG1-OD1 3.37Å; D447-L449 PolarHBondContact O-N 3.27Å
448	W	93.3	Very high	88.7	Confident	54 Å²	54	36.6 Å²	36.6	21%	0.205	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	112.1	-174.4	176.9	25.6	0	0	0	111.7	F243 I244 T246 I450 Y538	F243-W448 CarbonylContact C-O 3.57Å; F243-W448 VanDerWaalsContact CA-O 3.25Å; F243-W448 WeakPolarHBondContact CA-O 3.33Å; I244-W448 HydrophobicContact CB-CB 4.37Å; I244-W448 HydrophobicContact CB-CE3 4.3Å; I244-W448 HydrophobicContact CD1-CD2 4.43Å; I244-W448 HydrophobicContact CD1-CE3 3.62Å; I244-W448 HydrophobicContact CD1-CZ3 3.74Å; I244-W448 HydrophobicContact CG1-CE3 4.46Å; I244-W448 PolarHBondContact N-O 2.99Å; I244-W448 PolarHBondContact O-N 3.25Å; T246-W448 HydrophobicContact CG2-CB 3.77Å; T246-W448 HydrophobicContact CG2-CE3 4.41Å; T246-W448 PolarHBondContact OG1-N 2.9Å; W448-I450 HydrophobicContact CD2-CG2 3.47Å; W448-I450 VanDerWaalsContact CD2-CG2 3.47Å; W448-I450 VanDerWaalsContact CE2-CG2 3.41Å; W448-I450 HydrophobicContact CE3-CG2 3.92Å; W448-I450 HydrophobicContact CG-CG2 3.85Å; W448-I450 HydrophobicContact CH2-CG2 4.19Å; W448-I450 HydrophobicContact CZ2-CG2 3.79Å; W448-I450 HydrophobicContact CZ3-CG2 4.25Å; W448-I450 PolarHBondContact O-N 3.45Å; W448-Y538 HydrophobicContact CB-CE1 4.01Å; W448-Y538 AromaticContact CD1-CE1 3.84Å; W448-Y538 AromaticContact CD1-CZ 3.66Å; W448-Y538 AromaticContact CD2-CD1 3.82Å; W448-Y538 HydrophobicContact CD2-CD1 3.82Å; W448-Y538 AromaticContact CD2-CE1 3.74Å; W448-Y538 HydrophobicContact CD2-CE1 3.74Å; W448-Y538 HydrophobicContact CD2-CG 4.32Å; W448-Y538 AromaticContact CE3-CD1 3.89Å; W448-Y538 HydrophobicContact CE3-CD1 3.89Å; W448-Y538 HydrophobicContact CE3-CE1 4.25Å; W448-Y538 HydrophobicContact CE3-CG 4.33Å; W448-Y538 HydrophobicContact CG-CD1 4.18Å; W448-Y538 AromaticContact CG-CE1 3.61Å; W448-Y538 HydrophobicContact CG-CE1 3.61Å; W448-Y538 AromaticContact CG-CZ 3.93Å; W448-Y538 HydrophobicContact CH2-CG 4.38Å; W448-Y538 HydrophobicContact CZ2-CD2 4.22Å; W448-Y538 HydrophobicContact CZ2-CE2 4.46Å; W448-Y538 HydrophobicContact CZ2-CG 4.33Å; W448-Y538 HydrophobicContact CZ3-CD1 4.35Å; W448-Y538 HydrophobicContact CZ3-CG 4.37Å; W448-Y538 AromaticContact NE1-CE2 3.93Å; W448-Y538 AromaticContact NE1-CZ 3.73Å
449	L	91.4	Very high	88.2	Confident	11 Å²	11	37.9 Å²	37.9	6%	0.058	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	113.5	173	-165.8	170.2	0	0	0	110.5	V206 V215 Q241 F243 D447 S451 R452	V206-L449 HydrophobicContact CB-CD1 4.12Å; V206-L449 HydrophobicContact CG1-CD1 3.53Å; V215-L449 HydrophobicContact CB-CD2 4.45Å; V215-L449 HydrophobicContact CG2-CD2 3.71Å; Q241-L449 HydrophobicContact CB-CG 4.37Å; F243-L449 HydrophobicContact CD1-CB 3.9Å; F243-L449 HydrophobicContact CD1-CG 4.28Å; F243-L449 HydrophobicContact CE1-CB 3.6Å; F243-L449 HydrophobicContact CE1-CD1 3.93Å; F243-L449 HydrophobicContact CE1-CG 3.72Å; F243-L449 HydrophobicContact CZ-CB 4.32Å; F243-L449 HydrophobicContact CZ-CD1 3.91Å; F243-L449 HydrophobicContact CZ-CG 3.91Å; D447-L449 PolarHBondContact O-N 3.27Å; L449-S451 VanDerWaalsContact CD2-O 3.29Å; L449-S451 WeakPolarHBondContact CD2-O 3.35Å; L449-R452 VanDerWaalsContact CD2-NH1 3.25Å; L449-R452 PolarHBondContact O-NH1 3.17Å; L449-R452 PolarHBondContact O-NH2 2.96Å
450	I	90.1	Very high	87.8	Confident	38 Å²	38	38 Å²	38	20%	0.195	18%	0.182	C	C	.	.			trans	-108.7	-27.6	-173.7	54.2	158.8	0	0	0	115.6	F190 W242 I244 W448 R452	F190-I450 HydrophobicContact CD2-CD1 3.77Å; F190-I450 HydrophobicContact CE2-CD1 3.6Å; W242-I450 HydrophobicContact CB-CD1 4.25Å; W242-I450 HydrophobicContact CB-CG1 3.93Å; W242-I450 WeakPolarHBondContact O-CG1 3.1Å; W242-I450 PolarHBondContact O-N 3.43Å; I244-I450 HydrophobicContact CD1-CD1 3.93Å; I244-I450 HydrophobicContact CD1-CG1 4.5Å; I244-I450 HydrophobicContact CD1-CG2 3.71Å; I244-I450 HydrophobicContact CG1-CD1 3.9Å; I244-I450 HydrophobicContact CG1-CG1 4.31Å; I244-I450 HydrophobicContact CG1-CG2 4.11Å; W448-I450 HydrophobicContact CD2-CG2 3.47Å; W448-I450 VanDerWaalsContact CD2-CG2 3.47Å; W448-I450 VanDerWaalsContact CE2-CG2 3.41Å; W448-I450 HydrophobicContact CE3-CG2 3.92Å; W448-I450 HydrophobicContact CG-CG2 3.85Å; W448-I450 HydrophobicContact CH2-CG2 4.19Å; W448-I450 HydrophobicContact CZ2-CG2 3.79Å; W448-I450 HydrophobicContact CZ3-CG2 4.25Å; W448-I450 PolarHBondContact O-N 3.45Å; I450-R452 PolarHBondContact O-NH1 2.96Å
451	S	85.1	Confident	87.5	Confident	9 Å²	9	36.5 Å²	36.5	6%	0.063	18%	0.175	C	C	.	.			trans	-68.6	144.6	179.5	46.4	0	0	0	0	111.3	V215 Q241 W242 L449	V215-S451 WeakPolarHBondContact CG2-O 3.22Å; Q241-S451 WeakPolarHBondContact CA-OG 3.34Å; Q241-S451 WeakPolarHBondContact CB-OG 3.43Å; Q241-S451 PolarHBondContact OE1-O 3.2Å; Q241-S451 PolarHBondContact OE1-OG 2.91Å; W242-S451 PolarHBondContact N-OG 2.91Å; L449-S451 VanDerWaalsContact CD2-O 3.29Å; L449-S451 WeakPolarHBondContact CD2-O 3.35Å
452	R	79.2	Confident	87	Confident	72 Å²	72	37.5 Å²	37.5	27%	0.272	18%	0.181	S	C	.	.			trans	-137	142.4	177.1	-62.8	-64.4	-180	-76.1	3.1	108.7	V215 L449 I450 R454	V215-R452 VanDerWaalsContact O-CD 3.24Å; V215-R452 WeakPolarHBondContact O-CD 3.28Å; V215-R452 PolarHBondContact O-NE 3.45Å; L449-R452 VanDerWaalsContact CD2-NH1 3.25Å; L449-R452 PolarHBondContact O-NH1 3.17Å; L449-R452 PolarHBondContact O-NH2 2.96Å; I450-R452 PolarHBondContact O-NH1 2.96Å; R452-R454 HydrophobicContact CB-CB 4.46Å; R452-R454 HydrophobicContact CB-CG 4.36Å; R452-R454 PolarHBondContact O-N 3.02Å; R452-R454 VanDerWaalsContact O-N 3.08Å
453	Q	76.7	Confident	86.4	Confident	78 Å²	78	41.5 Å²	41.5	36%	0.364	21%	0.205	S	C	.	.	S	Bend	trans	-88.5	55.9	-179.6	-69.6	66.4	52.1	0	0	109.9	V215	V215-Q453 VanDerWaalsContact CG1-OE1 3.28Å
454	R	72.3	Confident	85.7	Confident	54 Å²	54	45.5 Å²	45.5	20%	0.204	22%	0.22	C	C	.	.			trans	-136.1	151	-169.5	-62.9	-65	-65.1	-118.2	-8.3	110.4	L134 E137 N138 D212 R452	L134-R454 HydrophobicContact CD2-CG 3.85Å; E137-R454 IonicContact OE1-NE 2.82Å; E137-R454 IonicContact OE2-CZ 3.43Å; E137-R454 IonicContact OE2-NE 3.91Å; E137-R454 PolarHBondContact OE2-NE 2.81Å; E137-R454 IonicContact OE2-NH2 3.99Å; E137-R454 PolarHBondContact OE2-NH2 3.46Å; N138-R454 PolarHBondContact OD1-NH1 2.74Å; N138-R454 PolarHBondContact OD1-NH2 3.37Å; D212-R454 PolarHBondContact O-NH1 2.9Å; R452-R454 HydrophobicContact CB-CB 4.46Å; R452-R454 HydrophobicContact CB-CG 4.36Å; R452-R454 PolarHBondContact O-N 3.02Å; R452-R454 VanDerWaalsContact O-N 3.08Å
455	Y	73.9	Confident	85	Confident	65 Å²	65	43.6 Å²	43.6	26%	0.255	22%	0.217	S	C	.	.	S	Bend	trans	-80.5	-45.8	-177	166.9	-106	0	0	0	111.1	E137 G457 L482 P483 T485	E137-Y455 PolarHBondContact OE1-N 3.36Å; E137-Y455 VanDerWaalsContact OE1-N 3.1Å; Y455-G457 VanDerWaalsContact C-N 3.32Å; Y455-G457 PolarHBondContact O-N 2.97Å; Y455-L482 HydrophobicContact CE2-CD2 4.43Å; Y455-L482 WeakPolarHBondContact O-CD2 3.41Å; Y455-P483 PolarHBondContact OH-O 2.74Å; Y455-P483 VanDerWaalsContact OH-O 3.14Å; Y455-T485 HydrophobicContact CD2-CG2 4.41Å; Y455-T485 HydrophobicContact CE2-CG2 3.95Å
456	W	82.2	Confident	84.3	Confident	7 Å²	7	51.9 Å²	51.9	3%	0.027	26%	0.262	C	S	.	.	S	Bend	trans	-82.1	71.2	-172.4	-161.5	-116.8	0	0	0	113.4	A131 F132 G133 E137 P147 E148 C178 L482	A131-W456 PolarHBondContact O-NE1 2.89Å; F132-W456 AromaticContact CD1-CD1 3.98Å; F132-W456 HydrophobicContact CD1-CD2 4.04Å; F132-W456 AromaticContact CD1-CE2 3.91Å; F132-W456 HydrophobicContact CD1-CG 4.09Å; F132-W456 HydrophobicContact CD1-CZ2 4.45Å; F132-W456 AromaticContact CD1-NE1 3.87Å; F132-W456 HydrophobicContact CE1-CD2 4.07Å; F132-W456 HydrophobicContact CE1-CE3 4.29Å; F132-W456 HydrophobicContact CE1-CG 4.5Å; F132-W456 HydrophobicContact CE1-CH2 4.49Å; F132-W456 HydrophobicContact CE1-CZ2 4.32Å; G133-W456 WeakPolarHBondContact CA-O 3.4Å; G133-W456 PolarHBondContact N-O 3.48Å; E137-W456 HydrophobicContact CB-CB 3.76Å; E137-W456 HydrophobicContact CB-CG 4.36Å; E137-W456 HydrophobicContact CG-CB 3.68Å; E137-W456 PolarHBondContact OE1-N 3.42Å; P147-W456 HydrophobicContact CB-CB 4.29Å; P147-W456 HydrophobicContact CB-CD2 3.6Å; P147-W456 HydrophobicContact CB-CE3 3.85Å; P147-W456 HydrophobicContact CB-CG 3.8Å; P147-W456 HydrophobicContact CB-CZ3 4.47Å; E148-W456 VanDerWaalsContact CA-CH2 3.43Å; E148-W456 HydrophobicContact CB-CH2 3.42Å; E148-W456 VanDerWaalsContact CB-CH2 3.42Å; E148-W456 HydrophobicContact CB-CZ2 4.25Å; E148-W456 HydrophobicContact CB-CZ3 3.84Å; E148-W456 HydrophobicContact CG-CH2 3.78Å; C178-W456 HydrophobicContact CB-CH2 4.33Å; C178-W456 HydrophobicContact CB-CZ2 3.66Å; W456-L482 HydrophobicContact CE3-CD1 4.25Å; W456-L482 HydrophobicContact CZ3-CD1 4.25Å
457	G	84.9	Confident	83.9	Confident	22 Å²	22	53.2 Å²	53.2	23%	0.227	28%	0.283	C	S	.	.	S	Bend	trans	-158.3	175.8	178.7	0	0	0	0	0	112.8	Y455 P459 L482	Y455-G457 VanDerWaalsContact C-N 3.32Å; Y455-G457 PolarHBondContact O-N 2.97Å; G457-P459 WeakPolarHBondContact O-CD 3.4Å; G457-L482 WeakPolarHBondContact O-CD2 3.29Å
458	T	90.3	Very high	83.1	Confident	46 Å²	46	56.2 Å²	56.2	28%	0.282	31%	0.305	S	S	.	.	P	Polyproline II helix	trans	-71.1	123.5	176.6	-55.5	0	0	0	0	110.6	F132 Y183 T186 Q187 I460	F132-T458 WeakPolarHBondContact CE2-OG1 3.36Å; Y183-T458 HydrophobicContact CD2-CG2 4.1Å; Y183-T458 HydrophobicContact CG-CG2 4.29Å; T186-T458 HydrophobicContact CG2-CG2 4.19Å; Q187-T458 HydrophobicContact CG-CG2 3.65Å; T458-I460 PolarHBondContact O-N 2.86Å
459	P	87.4	Confident	82.6	Confident	27 Å²	27	55.4 Å²	55.4	18%	0.175	31%	0.314	C	S	.	.	P	Polyproline II helix	trans	-60.1	131.7	172.5	-25.3	36.5	0	0	0	110.9	Q187 G457 V480 L482	Q187-P459 WeakPolarHBondContact CG-O 3.3Å; Q187-P459 PolarHBondContact NE2-O 3.09Å; G457-P459 WeakPolarHBondContact O-CD 3.4Å; P459-V480 HydrophobicContact CB-CB 4.28Å; P459-V480 HydrophobicContact CB-CG1 3.89Å; P459-V480 WeakPolarHBondContact CG-O 3.49Å; P459-L482 HydrophobicContact CG-CD2 3.78Å; P459-L482 HydrophobicContact CG-CG 3.98Å
460	I	89.3	Confident	82.3	Confident	56 Å²	56	56.5 Å²	56.5	29%	0.287	33%	0.325	S	S	.	.	P	Polyproline II helix	trans	-71.3	122.5	174.1	-64.8	176.5	0	0	0	107.7	F190 W242 T458 V462	F190-I460 HydrophobicContact CD1-CG2 4.34Å; F190-I460 HydrophobicContact CE1-CG2 3.76Å; F190-I460 HydrophobicContact CE2-CG2 3.9Å; F190-I460 HydrophobicContact CZ-CG2 3.5Å; W242-I460 HydrophobicContact CB-CD1 4.21Å; W242-I460 HydrophobicContact CG-CD1 3.97Å; T458-I460 PolarHBondContact O-N 2.86Å; I460-V462 HydrophobicContact CG2-CB 4.29Å; I460-V462 HydrophobicContact CG2-CG2 3.94Å; I460-V462 PolarHBondContact O-N 3.23Å
461	P	91.7	Very high	82.1	Confident	2 Å²	2	57.9 Å²	57.9	1%	0.013	33%	0.334	C	S	.	.			trans	-81.6	60.9	-171.2	36	-38.6	0	0	0	111.4	Q187 F190 I191 V473 L478 V480	Q187-P461 HydrophobicContact CB-CB 4.13Å; Q187-P461 HydrophobicContact CB-CG 3.87Å; Q187-P461 HydrophobicContact CG-CB 4.33Å; Q187-P461 HydrophobicContact CG-CG 4.22Å; F190-P461 HydrophobicContact CB-CG 4.37Å; F190-P461 HydrophobicContact CD1-CG 3.73Å; F190-P461 HydrophobicContact CE1-CG 4.49Å; F190-P461 HydrophobicContact CG-CG 4.36Å; I191-P461 HydrophobicContact CD1-CB 4.34Å; I191-P461 HydrophobicContact CD1-CG 4.24Å; I191-P461 HydrophobicContact CG1-CB 4.38Å; I191-P461 HydrophobicContact CG1-CG 3.82Å; P461-V473 HydrophobicContact CB-CB 4.16Å; P461-V473 HydrophobicContact CB-CG2 4.34Å; P461-V473 PolarHBondContact O-N 2.93Å; P461-L478 HydrophobicContact CB-CD2 3.99Å; P461-V480 HydrophobicContact CB-CG2 4.28Å
462	V	86.8	Confident	82.3	Confident	22 Å²	22	58.6 Å²	58.6	13%	0.133	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	134.7	179.1	176.1	0	0	0	0	110.2	F190 W242 I460 A470 V471	F190-V462 HydrophobicContact CE1-CG2 3.55Å; F190-V462 HydrophobicContact CZ-CG2 4.11Å; W242-V462 HydrophobicContact CH2-CB 4.49Å; W242-V462 HydrophobicContact CH2-CG1 4.17Å; W242-V462 HydrophobicContact CH2-CG2 3.89Å; W242-V462 HydrophobicContact CZ2-CB 4.04Å; W242-V462 HydrophobicContact CZ2-CG1 3.8Å; W242-V462 HydrophobicContact CZ2-CG2 3.85Å; I460-V462 HydrophobicContact CG2-CB 4.29Å; I460-V462 HydrophobicContact CG2-CG2 3.94Å; I460-V462 PolarHBondContact O-N 3.23Å; V462-A470 HydrophobicContact CG1-CB 3.82Å; V462-V471 CarbonylContact C-O 3.57Å; V462-V471 WeakPolarHBondContact CA-O 3.32Å
463	V	81.8	Confident	82.6	Confident	85 Å²	85	55.9 Å²	55.9	52%	0.515	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103	132.5	170.1	-178.8	0	0	0	0	108.7	V471 V473	V463-V471 PolarHBondContact N-O 3.06Å; V463-V471 PolarHBondContact O-N 2.95Å; V463-V473 HydrophobicContact CG2-CG2 3.96Å
464	H	79	Confident	83.1	Confident	110 Å²	110	54.6 Å²	54.6	51%	0.509	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	116	171	-68.3	-77.9	0	0	0	109.3	Q201	Q201-H464 PolarHBondContact OE1-CE1 3.43Å
465	C	76.5	Confident	83.8	Confident	46 Å²	46	55 Å²	55	31%	0.311	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	131	176.6	175.1	0	0	0	0	109.4	S467 C468 G469	C465-S467 PolarHBondContact O-N 3.45Å; C465-S467 VanDerWaalsContact O-N 3.13Å; C465-S467 PolarHBondContact SG-OG 3.33Å; C465-C468 HydrophobicContact CB-CB 3.92Å; C465-C468 PolarHBondContact O-N 3.39Å; C465-G469 PolarHBondContact N-O 3.46Å; C465-G469 WeakPolarHBondContact O-CA 3.22Å; C465-G469 PolarHBondContact O-N 2.76Å
466	D	76.4	Confident	84.4	Confident	179 Å²	179	59.6 Å²	59.6	96%	0.957	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.6	-27.9	-177.7	-65	-25.8	0	0	0	113.4
467	S	81.6	Confident	84.5	Confident	107 Å²	107	65.3 Å²	65.3	75%	0.748	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.1	-34.6	177.5	57.6	0	0	0	0	114.1	C465	C465-S467 PolarHBondContact O-N 3.45Å; C465-S467 VanDerWaalsContact O-N 3.13Å; C465-S467 PolarHBondContact SG-OG 3.33Å
468	C	76.1	Confident	84.7	Confident	90 Å²	90	65.8 Å²	65.8	61%	0.608	38%	0.383	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.6	-10.7	-171.2	-54.9	0	0	0	0	113.4	C465 V471	C465-C468 HydrophobicContact CB-CB 3.92Å; C465-C468 PolarHBondContact O-N 3.39Å; C468-V471 HydrophobicContact CB-CG2 3.72Å
469	G	81.4	Confident	84.8	Confident	37 Å²	37	64.7 Å²	64.7	38%	0.381	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	75	-144.9	-172.6	0	0	0	0	0	112.4	C465	C465-G469 PolarHBondContact N-O 3.46Å; C465-G469 WeakPolarHBondContact O-CA 3.22Å; C465-G469 PolarHBondContact O-N 2.76Å
470	A	85.4	Confident	84.7	Confident	35 Å²	35	65.8 Å²	65.8	29%	0.289	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	119.4	176.8	0	0	0	0	0	110.7	W242 V462	W242-A470 HydrophobicContact CH2-CB 4.16Å; W242-A470 HydrophobicContact CZ2-CB 4.36Å; V462-A470 HydrophobicContact CG1-CB 3.82Å
471	V	86.4	Confident	84.5	Confident	66 Å²	66	66.7 Å²	66.7	40%	0.4	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	128.2	-179.4	-175.8	0	0	0	0	109.4	V462 V463 C468	V462-V471 CarbonylContact C-O 3.57Å; V462-V471 WeakPolarHBondContact CA-O 3.32Å; V463-V471 PolarHBondContact N-O 3.06Å; V463-V471 PolarHBondContact O-N 2.95Å; C468-V471 HydrophobicContact CB-CG2 3.72Å
472	A	90	Very high	83.8	Confident	25 Å²	25	68.2 Å²	68.2	21%	0.207	40%	0.399	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65	141.6	175.1	0	0	0	0	0	111.2	I191 F194	I191-A472 HydrophobicContact CG1-CB 4.29Å; I191-A472 HydrophobicContact CG2-CB 4.31Å; F194-A472 HydrophobicContact CD1-CB 3.85Å; F194-A472 HydrophobicContact CE1-CB 4.14Å
473	V	84.4	Confident	83.1	Confident	15 Å²	15	71.4 Å²	71.4	9%	0.091	42%	0.42	C	S	.	.	P	Polyproline II helix	trans	-65.9	138.2	171.1	174.3	0	0	0	0	109.1	I191 P461 V463 E477 L478 V480	I191-V473 WeakPolarHBondContact CD1-O 3.39Å; P461-V473 HydrophobicContact CB-CB 4.16Å; P461-V473 HydrophobicContact CB-CG2 4.34Å; P461-V473 PolarHBondContact O-N 2.93Å; V463-V473 HydrophobicContact CG2-CG2 3.96Å; V473-E477 HydrophobicContact CG1-CB 3.8Å; V473-L478 HydrophobicContact CG1-CD2 4.39Å; V473-V480 HydrophobicContact CB-CG2 4.37Å; V473-V480 HydrophobicContact CG1-CG2 4.07Å; V473-V480 HydrophobicContact CG2-CG2 4.02Å
474	P	87.3	Confident	82.4	Confident	51 Å²	51	75.5 Å²	75.5	33%	0.331	43%	0.431	S	S	.	.	P	Polyproline II helix	trans	-56.8	144.5	175.8	-24.4	34.2	0	0	0	112.7	E476 E477	P474-E476 VanDerWaalsContact CB-CD 3.47Å; P474-E476 HydrophobicContact CB-CG 4.15Å; P474-E476 PolarHBondContact O-N 2.9Å; P474-E477 HydrophobicContact CB-CG 4.23Å; P474-E477 HydrophobicContact CG-CG 4.4Å; P474-E477 PolarHBondContact O-N 2.8Å
475	E	88.1	Confident	81.2	Confident	63 Å²	63	73.8 Å²	73.8	29%	0.294	43%	0.428	S	S	.	.	G	3₁₀ helix	trans	-60.1	-35.6	-176.5	-69.9	179.2	-160.6	0	0	112.8	Y188 K192 E477 L478	Y188-E475 HydrophobicContact CD2-CG 4.19Å; Y188-E475 HydrophobicContact CE2-CG 4.33Å; Y188-E475 WeakPolarHBondContact CE2-OE2 3.47Å; K192-E475 WeakPolarHBondContact CE-OE1 3.49Å; K192-E475 IonicContact NZ-OE1 3.5Å; K192-E475 PolarHBondContact NZ-OE1 3.45Å; E475-E477 PolarHBondContact O-N 2.9Å; E475-L478 WeakPolarHBondContact O-CB 3.04Å; E475-L478 WeakPolarHBondContact O-CG 3.5Å; E475-L478 PolarHBondContact O-N 2.93Å
476	E	85.8	Confident	79.8	Confident	160 Å²	160	76.5 Å²	76.5	75%	0.748	45%	0.445	S	S	*	.	G	3₁₀ helix	trans	-67.9	-17.8	177.6	61.7	-91.1	-147	0	0	114	P474	P474-E476 VanDerWaalsContact CB-CD 3.47Å; P474-E476 HydrophobicContact CB-CG 4.15Å; P474-E476 PolarHBondContact O-N 2.9Å
477	E	84.9	Confident	78.4	Confident	128 Å²	128	72.9 Å²	72.9	60%	0.598	43%	0.432	S	S	*	.	G	3₁₀ helix	trans	-93	-0.2	177.6	-66.2	-176.2	-164.9	0	0	112.6	V473 P474 E475	V473-E477 HydrophobicContact CG1-CB 3.8Å; P474-E477 HydrophobicContact CB-CG 4.23Å; P474-E477 HydrophobicContact CG-CG 4.4Å; P474-E477 PolarHBondContact O-N 2.8Å; E475-E477 PolarHBondContact O-N 2.9Å
478	L	87.6	Confident	76.9	Confident	31 Å²	31	76.5 Å²	76.5	16%	0.162	44%	0.442	C	S	.	.			trans	-75.4	148.1	174.9	-61.8	-177.1	0	0	0	112.2	Q187 I191 P461 V473 E475 V480	Q187-L478 HydrophobicContact CB-CD1 4.14Å; Q187-L478 HydrophobicContact CB-CD2 3.87Å; I191-L478 HydrophobicContact CD1-CD1 3.94Å; I191-L478 HydrophobicContact CD1-CD2 4.21Å; I191-L478 HydrophobicContact CD1-CG 4.36Å; P461-L478 HydrophobicContact CB-CD2 3.99Å; V473-L478 HydrophobicContact CG1-CD2 4.39Å; E475-L478 WeakPolarHBondContact O-CB 3.04Å; E475-L478 WeakPolarHBondContact O-CG 3.5Å; E475-L478 PolarHBondContact O-N 2.93Å; L478-V480 HydrophobicContact CD2-CG2 4.4Å
479	P	92.1	Very high	75.3	Confident	24 Å²	24	77.4 Å²	77.4	16%	0.156	45%	0.445	C	S	.	.			cis	-80	145.7	-1.6	24.5	-26.6	0	0	0	114	P180 Y183 K184 T481	P180-P479 HydrophobicContact CB-CG 3.91Å; Y183-P479 HydrophobicContact CD2-CB 4.34Å; Y183-P479 HydrophobicContact CE2-CB 3.78Å; K184-P479 HydrophobicContact CB-CB 3.71Å; K184-P479 HydrophobicContact CB-CG 4.11Å; P479-T481 HydrophobicContact CB-CG2 4.45Å; P479-T481 HydrophobicContact CG-CG2 4.07Å; P479-T481 PolarHBondContact O-N 3.15Å; P479-T481 VanDerWaalsContact O-N 3.1Å
480	V	85.8	Confident	73.4	Confident	49 Å²	49	79.3 Å²	79.3	30%	0.297	46%	0.464	S	S	.	.			trans	-70.5	105	156.2	-179.2	0	0	0	0	107.2	Q187 P459 P461 V473 L478	Q187-V480 PolarHBondContact NE2-O 2.67Å; P459-V480 HydrophobicContact CB-CB 4.28Å; P459-V480 HydrophobicContact CB-CG1 3.89Å; P459-V480 WeakPolarHBondContact CG-O 3.49Å; P461-V480 HydrophobicContact CB-CG2 4.28Å; V473-V480 HydrophobicContact CB-CG2 4.37Å; V473-V480 HydrophobicContact CG1-CG2 4.07Å; V473-V480 HydrophobicContact CG2-CG2 4.02Å; L478-V480 HydrophobicContact CD2-CG2 4.4Å
481	T	86	Confident	70.9	Confident	76 Å²	76	87.9 Å²	87.9	47%	0.466	50%	0.495	S	S	.	.	P	Polyproline II helix	trans	-80.9	144.5	-174.8	55.4	0	0	0	0	112.4	Y183 P479	Y183-T481 WeakPolarHBondContact OH-CA 3.24Å; P479-T481 HydrophobicContact CB-CG2 4.45Å; P479-T481 HydrophobicContact CG-CG2 4.07Å; P479-T481 PolarHBondContact O-N 3.15Å; P479-T481 VanDerWaalsContact O-N 3.1Å
482	L	75.9	Confident	68.4	Low	34 Å²	34	88.5 Å²	88.5	18%	0.178	51%	0.514	C	S	.	.	P	Polyproline II helix	trans	-58.6	129.4	168	-76.7	170.2	0	0	0	110.1	F132 Y455 W456 G457 P459 K484	F132-L482 HydrophobicContact CE1-CD1 3.61Å; F132-L482 HydrophobicContact CZ-CD1 3.71Å; Y455-L482 HydrophobicContact CE2-CD2 4.43Å; Y455-L482 WeakPolarHBondContact O-CD2 3.41Å; W456-L482 HydrophobicContact CE3-CD1 4.25Å; W456-L482 HydrophobicContact CZ3-CD1 4.25Å; G457-L482 WeakPolarHBondContact O-CD2 3.29Å; P459-L482 HydrophobicContact CG-CD2 3.78Å; P459-L482 HydrophobicContact CG-CG 3.98Å; L482-K484 PolarHBondContact O-N 2.77Å
483	P	73.3	Confident	66	Low	89 Å²	89	92.6 Å²	92.6	58%	0.578	55%	0.548	S	S	*	.	P	Polyproline II helix	trans	-67.5	133.9	175.1	28.3	-32.6	0	0	0	108.8	Y455 T485	Y455-P483 PolarHBondContact OH-O 2.74Å; Y455-P483 VanDerWaalsContact OH-O 3.14Å; P483-T485 PolarHBondContact O-N 3.44Å
484	K	65.7	Low	63.6	Low	171 Å²	171	97.5 Å²	97.5	74%	0.743	58%	0.583	S	S	*	*			trans	-63.8	105.9	168	-68.1	-171.6	176.9	-173.1	0	108	L482	L482-K484 PolarHBondContact O-N 2.77Å
485	T	55.3	Low	61.6	Low	73 Å²	73	100.3 Å²	100.3	45%	0.448	60%	0.602	S	S	.	*	P	Polyproline II helix	trans	-68.1	140.7	169.6	39.6	0	0	0	0	108.5	Y455 P483	Y455-T485 HydrophobicContact CD2-CG2 4.41Å; Y455-T485 HydrophobicContact CE2-CG2 3.95Å; P483-T485 PolarHBondContact O-N 3.44Å
486	P	46.7	Very low	58.9	Low	103 Å²	103	104.7 Å²	104.7	67%	0.669	63%	0.626	S	S	*	*	P	Polyproline II helix	trans	-58.7	152.3	165.3	25.1	-30.3	0	0	0	108.5
487	P	47.4	Very low	56.7	Low	103 Å²	103	101 Å²	101	67%	0.669	63%	0.631	S	S	*	*	P	Polyproline II helix	trans	-51.3	150.7	166.6	22.8	-31.6	0	0	0	108.7	T489	P487-T489 PolarHBondContact O-N 3.02Å
488	L	49.6	Very low	54.7	Low	184 Å²	184	99 Å²	99	96%	0.963	64%	0.636	S	S	*	*	S	Bend	trans	-64.4	72.3	168.6	-82	163.8	0	0	0	110.1
489	T	42	Very low	52.4	Low	109 Å²	109	103 Å²	103	67%	0.669	66%	0.662	S	S	*	*	S	Bend	trans	-162.1	135.9	164.2	47.6	0	0	0	0	108.4	P487	P487-T489 PolarHBondContact O-N 3.02Å
490	G	42.5	Very low	50.2	Low	76 Å²	76	110.4 Å²	110.4	78%	0.784	69%	0.694	S	S	*	*	S	Bend	trans	-62.1	137.5	-176.9	0	0	0	0	0	114.3
491	K	31.5	Very low	48.1	Very low	215 Å²	215	115.1 Å²	115.1	94%	0.935	72%	0.717	S	S	*	*			trans	93.9	124.1	162.5	-58.2	-179.3	178.3	179.5	0	118.3
492	G	34.9	Very low	46	Very low	79 Å²	79	122 Å²	122	81%	0.814	74%	0.735	S	S	*	*			trans	126.8	122	148	0	0	0	0	0	115.3
493	A	38.8	Very low	43.9	Very low	111 Å²	111	126.5 Å²	126.5	92%	0.917	76%	0.764	S	S	*	*			trans	-85.3	158.3	-178.1	0	0	0	0	0	113.3
494	S	33.6	Very low	42.1	Very low	118 Å²	118	129.7 Å²	129.7	83%	0.825	78%	0.776	S	S	*	*			trans	-139.1	146.3	174.6	-172.7	0	0	0	0	112.6
495	P	45	Very low	40.6	Very low	111 Å²	111	126.9 Å²	126.9	72%	0.721	78%	0.776	S	S	*	*			trans	-101.8	141	-157.2	36.8	-26.2	0	0	0	113.5
496	L	33	Very low	39.9	Very low	154 Å²	154	133 Å²	133	81%	0.806	80%	0.797	S	S	*	*			trans	-132.8	85.3	169.2	-76.3	169.1	0	0	0	109.6
497	G	38.4	Very low	39.6	Very low	82 Å²	82	131.8 Å²	131.8	85%	0.845	79%	0.79	S	S	*	*			trans	-126	15.6	175.8	0	0	0	0	0	114
498	A	44	Very low	40.1	Very low	87 Å²	87	131.4 Å²	131.4	72%	0.719	79%	0.788	S	S	*	*			trans	-156	77.6	179.5	0	0	0	0	0	112.4
499	V	39.3	Very low	40.5	Very low	115 Å²	115	129.5 Å²	129.5	70%	0.697	77%	0.768	S	S	*	*			trans	-141.4	88	158.5	-168.4	0	0	0	0	108.8	D501	V499-D501 PolarHBondContact O-N 3.25Å
500	H	45.9	Very low	41.6	Very low	179 Å²	179	125.2 Å²	125.2	83%	0.829	74%	0.741	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.1	88.8	169.2	-74.7	-51.8	0	0	0	109.3
501	D	42.1	Very low	42.9	Very low	148 Å²	148	125.1 Å²	125.1	79%	0.791	72%	0.719	S	S	*	*	T	Hydrogen-bonded Turn	trans	-153.2	12.1	150.6	-90.4	-29.3	0	0	0	112	V499 V503	V499-D501 PolarHBondContact O-N 3.25Å; D501-V503 PolarHBondContact O-N 3.1Å
502	W	41.5	Very low	45.1	Very low	222 Å²	222	120.7 Å²	120.7	84%	0.841	70%	0.702	S	S	*	*	T	Hydrogen-bonded Turn	trans	-86.7	4.9	-170.9	-162.8	28.4	0	0	0	115.1
503	V	31.2	Very low	47.2	Very low	128 Å²	128	118.2 Å²	118.2	78%	0.776	67%	0.672	S	S	*	*	T	Hydrogen-bonded Turn	trans	-116.9	19	-169.7	-158.2	0	0	0	0	113.8	D501	D501-V503 PolarHBondContact O-N 3.1Å
504	N	36.2	Very low	49.2	Very low	155 Å²	155	119.6 Å²	119.6	83%	0.829	66%	0.659	S	S	*	*			trans	-111.1	87.6	173.1	-74.5	-39.9	0	0	0	111.3
505	C	34.2	Very low	51.5	Low	112 Å²	112	118 Å²	118	76%	0.757	64%	0.641	S	S	*	*			trans	-95.3	130.7	171.8	167.6	0	0	0	0	110.9
506	K	40.1	Very low	53.5	Low	202 Å²	202	113.6 Å²	113.6	88%	0.878	61%	0.614	S	S	*	*			trans	-115.2	138.2	158.9	-85.5	-171.1	178.3	-179.9	0	109.5
507	C	41.2	Very low	56	Low	77 Å²	77	108.4 Å²	108.4	52%	0.52	59%	0.587	S	S	.	*			trans	56.4	117.7	177.1	-159	0	0	0	0	116.2	R509	C507-R509 PolarHBondContact O-N 3.16Å; C507-R509 VanDerWaalsContact O-N 3.08Å
508	P	56.8	Low	58.4	Low	96 Å²	96	108.5 Å²	108.5	62%	0.623	57%	0.565	S	S	*	*	S	Bend	trans	-75.2	12.3	176.3	32.9	-36.4	0	0	0	114
509	R	58.3	Low	60.6	Low	144 Å²	144	105.5 Å²	105.5	54%	0.543	54%	0.535	S	S	.	.	S	Bend	trans	-102	144.9	-175.4	-65.9	-175.7	178.5	164.1	-0.7	111.7	W185 C507 F511	W185-R509 WeakPolarHBondContact CH2-O 3.28Å; W185-R509 WeakPolarHBondContact CZ2-O 3.5Å; C507-R509 PolarHBondContact O-N 3.16Å; C507-R509 VanDerWaalsContact O-N 3.08Å; R509-F511 PolarHBondContact O-N 3.31Å
510	P	64.6	Low	63.2	Low	18 Å²	18	101.8 Å²	101.8	12%	0.117	51%	0.512	C	S	.	.	S	Bend	trans	-64.8	-24	-174.4	26.5	-36	0	0	0	114.9	W185 Y188	W185-P510 HydrophobicContact CB-CB 4.22Å; W185-P510 VanDerWaalsContact CD2-CA 3.46Å; W185-P510 HydrophobicContact CD2-CB 3.78Å; W185-P510 HydrophobicContact CE3-CB 3.56Å; W185-P510 HydrophobicContact CG-CB 4.12Å; W185-P510 VanDerWaalsContact CZ3-CA 3.43Å; W185-P510 HydrophobicContact CZ3-CB 4.1Å; Y188-P510 HydrophobicContact CD1-CB 4.28Å; Y188-P510 HydrophobicContact CD1-CG 4Å; Y188-P510 HydrophobicContact CE1-CG 3.75Å
511	F	70.4	Confident	65.5	Low	74 Å²	74	94.8 Å²	94.8	33%	0.325	48%	0.482	S	S	.	.	S	Bend	trans	-160.6	164.4	175.5	47.4	-93.4	0	0	0	109.4	R509 P513 A516 L551 V552	R509-F511 PolarHBondContact O-N 3.31Å; F511-P513 VanDerWaalsContact O-CD 3.28Å; F511-P513 WeakPolarHBondContact O-CD 3.21Å; F511-A516 HydrophobicContact CD2-CB 3.46Å; F511-A516 VanDerWaalsContact CD2-CB 3.46Å; F511-A516 HydrophobicContact CE2-CB 3.59Å; F511-A516 HydrophobicContact CG-CB 4.42Å; F511-L551 HydrophobicContact CE2-CB 4.49Å; F511-L551 WeakPolarHBondContact CE2-O 3.37Å; F511-L551 HydrophobicContact CZ-CB 3.89Å; F511-V552 HydrophobicContact CE2-CG1 3.78Å; F511-V552 HydrophobicContact CZ-CG1 3.72Å
512	E	78.1	Confident	68.2	Low	123 Å²	123	87.9 Å²	87.9	58%	0.575	45%	0.445	S	S	*	.			trans	-75.3	114.5	171.1	-66.3	179.6	-161.2	0	0	109.2	Q514 L515 A516	E512-Q514 PolarHBondContact O-N 3.43Å; E512-L515 HydrophobicContact CB-CB 4.11Å; E512-L515 HydrophobicContact CB-CD1 3.97Å; E512-L515 HydrophobicContact CB-CG 3.98Å; E512-L515 HydrophobicContact CG-CD1 4.31Å; E512-L515 PolarHBondContact O-N 3.15Å; E512-L515 WeakPolarHBondContact OE2-CD1 3.49Å; E512-A516 PolarHBondContact O-N 2.84Å
513	P	77.9	Confident	70.8	Confident	27 Å²	27	78.9 Å²	78.9	18%	0.175	41%	0.413	C	S	.	.	H	α-helix	trans	-57.5	-37.8	-175.3	-26.9	36.4	0	0	0	112.5	F511 L515 A516 D517	F511-P513 VanDerWaalsContact O-CD 3.28Å; F511-P513 WeakPolarHBondContact O-CD 3.21Å; P513-L515 VanDerWaalsContact C-N 3.3Å; P513-L515 PolarHBondContact O-N 3.43Å; P513-A516 PolarHBondContact O-N 3.46Å; P513-D517 VanDerWaalsContact O-CB 3.3Å; P513-D517 WeakPolarHBondContact O-CB 3.13Å; P513-D517 VanDerWaalsContact O-CG 3.27Å; P513-D517 PolarHBondContact O-N 3.07Å
514	Q	81.3	Confident	74	Confident	139 Å²	139	74 Å²	74	65%	0.65	38%	0.383	S	S	*	.	H	α-helix	trans	-62.5	-36.7	178.4	-60.8	84.2	1.8	0	0	112.5	E512 H518	E512-Q514 PolarHBondContact O-N 3.43Å; Q514-H518 VanDerWaalsContact O-CB 3.22Å; Q514-H518 WeakPolarHBondContact O-CB 3.14Å; Q514-H518 PolarHBondContact O-N 3.12Å; Q514-H518 VanDerWaalsContact O-N 3.08Å
515	L	83	Confident	76.9	Confident	86 Å²	86	67 Å²	67	45%	0.45	35%	0.345	S	S	.	.	H	α-helix	trans	-73.5	-41.5	176.4	-68.9	-178.2	0	0	0	111.4	E512 P513 H518 W519	E512-L515 HydrophobicContact CB-CB 4.11Å; E512-L515 HydrophobicContact CB-CD1 3.97Å; E512-L515 HydrophobicContact CB-CG 3.98Å; E512-L515 HydrophobicContact CG-CD1 4.31Å; E512-L515 PolarHBondContact O-N 3.15Å; E512-L515 WeakPolarHBondContact OE2-CD1 3.49Å; P513-L515 VanDerWaalsContact C-N 3.3Å; P513-L515 PolarHBondContact O-N 3.43Å; L515-H518 PolarHBondContact O-N 3.41Å; L515-W519 PolarHBondContact O-N 3.04Å
516	A	85.2	Confident	79.9	Confident	18 Å²	18	61.7 Å²	61.7	15%	0.149	31%	0.309	C	S	.	.	H	α-helix	trans	-62.1	-48.6	176.1	0	0	0	0	0	111.2	F511 E512 P513 H518 W519 L520 V552	F511-A516 HydrophobicContact CD2-CB 3.46Å; F511-A516 VanDerWaalsContact CD2-CB 3.46Å; F511-A516 HydrophobicContact CE2-CB 3.59Å; F511-A516 HydrophobicContact CG-CB 4.42Å; E512-A516 PolarHBondContact O-N 2.84Å; P513-A516 PolarHBondContact O-N 3.46Å; A516-H518 VanDerWaalsContact C-N 3.3Å; A516-H518 PolarHBondContact O-N 3.38Å; A516-W519 PolarHBondContact O-N 3.39Å; A516-L520 WeakPolarHBondContact O-CB 3.44Å; A516-L520 WeakPolarHBondContact O-CG 3.27Å; A516-L520 PolarHBondContact O-N 3.31Å; A516-V552 HydrophobicContact CB-CG1 4.43Å
517	D	85.9	Confident	82.5	Confident	45 Å²	45	52.1 Å²	52.1	24%	0.241	27%	0.267	C	S	.	.	H	α-helix	trans	-65.4	-32.4	179.4	-72	-33.3	0	0	0	112.9	P513 T553 H554	P513-D517 VanDerWaalsContact O-CB 3.3Å; P513-D517 WeakPolarHBondContact O-CB 3.13Å; P513-D517 VanDerWaalsContact O-CG 3.27Å; P513-D517 PolarHBondContact O-N 3.07Å; D517-T553 VanDerWaalsContact CG-OG1 3.24Å; D517-T553 WeakPolarHBondContact OD1-CB 3.37Å; D517-T553 WeakPolarHBondContact OD1-CG2 3.2Å; D517-T553 PolarHBondContact OD1-N 3.29Å; D517-T553 PolarHBondContact OD1-OG1 3.43Å; D517-T553 WeakPolarHBondContact OD2-CG2 3.32Å; D517-H554 PolarHBondContact O-NE2 3.41Å; D517-H554 VanDerWaalsContact O-NE2 3.12Å; D517-H554 IonicContact OD1-CD2 2.67Å
518	H	88.8	Confident	84.7	Confident	84 Å²	84	48.5 Å²	48.5	39%	0.389	24%	0.243	S	C	.	.	H	α-helix	trans	-64.7	-45.9	174.5	174.4	81.6	0	0	0	112	Q514 L515 A516	Q514-H518 VanDerWaalsContact O-CB 3.22Å; Q514-H518 WeakPolarHBondContact O-CB 3.14Å; Q514-H518 PolarHBondContact O-N 3.12Å; Q514-H518 VanDerWaalsContact O-N 3.08Å; L515-H518 PolarHBondContact O-N 3.41Å; A516-H518 VanDerWaalsContact C-N 3.3Å; A516-H518 PolarHBondContact O-N 3.38Å
519	W	91.1	Very high	86.2	Confident	24 Å²	24	49.8 Å²	49.8	9%	0.091	24%	0.239	C	C	.	.	H	α-helix	trans	-85.6	-35.2	-175	-77.3	110.9	0	0	0	113.4	K84 Y86 Q122 L124 L515 A516 P521	K84-W519 HydrophobicContact CB-CE3 4.15Å; K84-W519 HydrophobicContact CB-CH2 4.45Å; K84-W519 HydrophobicContact CB-CZ3 3.86Å; K84-W519 HydrophobicContact CD-CE3 4.27Å; K84-W519 WeakPolarHBondContact CE-O 3.37Å; K84-W519 PolarHBondContact NZ-O 3.43Å; Y86-W519 HydrophobicContact CD2-CB 4.17Å; Q122-W519 HydrophobicContact CG-CH2 3.95Å; Q122-W519 HydrophobicContact CG-CZ2 4.45Å; L124-W519 HydrophobicContact CB-CD2 4.2Å; L124-W519 HydrophobicContact CB-CE3 3.61Å; L124-W519 HydrophobicContact CB-CH2 3.6Å; L124-W519 HydrophobicContact CB-CZ2 4.19Å; L124-W519 HydrophobicContact CB-CZ3 3.29Å; L124-W519 HydrophobicContact CD2-CB 4.41Å; L124-W519 HydrophobicContact CD2-CD2 3.62Å; L124-W519 HydrophobicContact CD2-CE3 3.76Å; L124-W519 HydrophobicContact CD2-CG 3.91Å; L124-W519 HydrophobicContact CD2-CZ3 4.29Å; L124-W519 HydrophobicContact CG-CE3 4.33Å; L124-W519 HydrophobicContact CG-CZ3 4.41Å; L515-W519 PolarHBondContact O-N 3.04Å; A516-W519 PolarHBondContact O-N 3.39Å; W519-P521 VanDerWaalsContact O-O 3.09Å
520	L	92.5	Very high	87.4	Confident	37 Å²	37	47.1 Å²	47.1	19%	0.194	23%	0.232	C	C	.	.	P	Polyproline II helix	trans	-73.8	155.3	177.5	-71.8	174	0	0	0	111.9	A516 V522 V552 H554	A516-L520 WeakPolarHBondContact O-CB 3.44Å; A516-L520 WeakPolarHBondContact O-CG 3.27Å; A516-L520 PolarHBondContact O-N 3.31Å; L520-V522 HydrophobicContact CD2-CG2 4.41Å; L520-V552 HydrophobicContact CD1-CG1 4.02Å; L520-H554 VanDerWaalsContact CB-CD2 3.42Å; L520-H554 WeakPolarHBondContact CB-CD2 3.42Å; L520-H554 PolarHBondContact O-CE1 3.5Å; L520-H554 VanDerWaalsContact O-CE1 3.25Å; L520-H554 PolarHBondContact O-NE2 2.93Å
521	P	95.2	Very high	88.7	Confident	31 Å²	31	48.6 Å²	48.6	20%	0.201	24%	0.238	C	C	.	.	S	Bend	cis	-69	162.2	-11.9	34.4	-36.5	0	0	0	110.6	K84 W519 D523 H554 E556	K84-P521 PolarHBondContact NZ-O 3.21Å; W519-P521 VanDerWaalsContact O-O 3.09Å; P521-D523 PolarHBondContact O-N 2.93Å; P521-H554 WeakPolarHBondContact CD-ND1 3.49Å; P521-E556 WeakPolarHBondContact CB-O 3.41Å
522	V	97.7	Very high	89.5	Confident	4 Å²	4	45.3 Å²	45.3	2%	0.024	22%	0.224	C	C	.	.	B	Isolated β-bridge	trans	-57	126.4	167.2	176.7	0	0	0	0	108.2	Y86 L88 L520 I524 P557 F558 S559	Y86-V522 HydrophobicContact CD2-CB 4.35Å; Y86-V522 HydrophobicContact CD2-CG2 3.82Å; Y86-V522 HydrophobicContact CE2-CG2 3.72Å; Y86-V522 HydrophobicContact CG-CG1 4.45Å; Y86-V522 HydrophobicContact CG-CG2 4.31Å; L88-V522 HydrophobicContact CB-CG1 3.64Å; L88-V522 HydrophobicContact CB-CG2 4.33Å; L88-V522 HydrophobicContact CD2-CG2 3.88Å; L520-V522 HydrophobicContact CD2-CG2 4.41Å; V522-I524 VanDerWaalsContact CG1-O 3.3Å; V522-I524 WeakPolarHBondContact CG1-O 3.47Å; V522-P557 WeakPolarHBondContact CB-O 3.47Å; V522-P557 PolarHBondContact N-O 3.35Å; V522-F558 HydrophobicContact CB-CD1 3.91Å; V522-F558 HydrophobicContact CG1-CD1 4.44Å; V522-F558 HydrophobicContact CG2-CD1 3.88Å; V522-F558 HydrophobicContact CG2-CE1 4.31Å; V522-S559 WeakPolarHBondContact O-CB 3.27Å; V522-S559 PolarHBondContact O-N 3.24Å
523	D	97.8	Very high	90	Very high	33 Å²	33	41 Å²	41	18%	0.176	21%	0.206	C	C	.	.	S	Bend	trans	-70.7	-38	-176.8	-67.4	-85.1	0	0	0	111.5	K84 F85 Y86 P521 K560	K84-D523 WeakPolarHBondContact CD-OD2 3.4Å; K84-D523 IonicContact NZ-OD1 3.23Å; K84-D523 IonicContact NZ-OD2 3.1Å; K84-D523 PolarHBondContact NZ-OD2 2.86Å; F85-D523 WeakPolarHBondContact CA-OD2 3.26Å; F85-D523 HydrophobicContact CD1-CB 4.25Å; F85-D523 HydrophobicContact CD2-CB 4.2Å; F85-D523 HydrophobicContact CE1-CB 4.01Å; F85-D523 HydrophobicContact CE2-CB 3.94Å; F85-D523 HydrophobicContact CG-CB 4.34Å; F85-D523 HydrophobicContact CZ-CB 3.85Å; Y86-D523 PolarHBondContact N-OD2 3.38Å; Y86-D523 PolarHBondContact O-N 3.16Å; P521-D523 PolarHBondContact O-N 2.93Å; D523-K560 WeakPolarHBondContact O-CB 3.47Å; D523-K560 PolarHBondContact O-N 3.01Å
524	I	97.8	Very high	90.4	Very high	25 Å²	25	42.1 Å²	42.1	13%	0.128	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145	124.6	171.3	-168.5	174.5	0	0	0	111.4	F85 Y86 V87 L88 I112 V522 I526 K560 L562	F85-I524 HydrophobicContact CE1-CG2 3.91Å; F85-I524 HydrophobicContact CZ-CG2 4.37Å; Y86-I524 PolarHBondContact O-N 3.13Å; V87-I524 HydrophobicContact CB-CG2 4.29Å; V87-I524 HydrophobicContact CG1-CG2 3.98Å; V87-I524 HydrophobicContact CG2-CG2 4.17Å; L88-I524 PolarHBondContact N-O 3.46Å; I112-I524 HydrophobicContact CD1-CD1 3.87Å; I112-I524 HydrophobicContact CG2-CG2 4.25Å; V522-I524 VanDerWaalsContact CG1-O 3.3Å; V522-I524 WeakPolarHBondContact CG1-O 3.47Å; I524-I526 HydrophobicContact CG1-CG1 4.35Å; I524-K560 HydrophobicContact CG1-CB 4.37Å; I524-L562 HydrophobicContact CD1-CB 4.19Å; I524-L562 HydrophobicContact CG1-CB 4.43Å
525	Y	98.1	Very high	91	Very high	9 Å²	9	38.5 Å²	38.5	4%	0.035	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	133.5	172.4	-165.7	-119.4	0	0	0	110.2	L88 M90 H535 L536 F558 K560 L561 L562	L88-Y525 HydrophobicContact CB-CD2 3.85Å; L88-Y525 HydrophobicContact CB-CE2 4.27Å; L88-Y525 HydrophobicContact CD2-CD2 3.67Å; L88-Y525 HydrophobicContact CD2-CE2 3.49Å; L88-Y525 VanDerWaalsContact CD2-CE2 3.49Å; L88-Y525 HydrophobicContact CG-CD2 3.72Å; L88-Y525 HydrophobicContact CG-CE2 3.61Å; L88-Y525 CarbonylContact O-C 3.57Å; L88-Y525 VanDerWaalsContact O-CA 3.3Å; L88-Y525 WeakPolarHBondContact O-CA 3.16Å; L88-Y525 WeakPolarHBondContact O-CD2 3.3Å; M90-Y525 HydrophobicContact CE-CD1 4.3Å; M90-Y525 HydrophobicContact CE-CE1 3.45Å; M90-Y525 VanDerWaalsContact CE-CE1 3.45Å; M90-Y525 HydrophobicContact CG-CE1 3.8Å; M90-Y525 HydrophobicContact CG-CE2 4.45Å; M90-Y525 WeakPolarHBondContact CG-OH 3.4Å; M90-Y525 HydrophobicContact SD-CE1 4.49Å; Y525-H535 AromaticContact CE1-NE2 3.73Å; Y525-H535 AromaticContact CZ-NE2 3.58Å; Y525-H535 PolarHBondContact OH-NE2 2.92Å; Y525-L536 HydrophobicContact CD1-CD2 3.76Å; Y525-L536 HydrophobicContact CE1-CD2 3.64Å; Y525-F558 HydrophobicContact CD1-CD1 4.34Å; Y525-F558 HydrophobicContact CD1-CD2 4.26Å; Y525-F558 HydrophobicContact CD1-CE1 4.32Å; Y525-F558 HydrophobicContact CD1-CE2 4.25Å; Y525-F558 HydrophobicContact CD1-CG 4.32Å; Y525-F558 HydrophobicContact CD1-CZ 4.27Å; Y525-F558 AromaticContact CD2-CD1 3.91Å; Y525-F558 HydrophobicContact CD2-CD1 3.91Å; Y525-F558 AromaticContact CD2-CE1 3.83Å; Y525-F558 HydrophobicContact CD2-CE1 3.83Å; Y525-F558 HydrophobicContact CD2-CZ 4.46Å; Y525-F558 HydrophobicContact CE1-CE1 4.46Å; Y525-F558 HydrophobicContact CE1-CE2 4.35Å; Y525-F558 HydrophobicContact CE1-CZ 4.17Å; Y525-F558 HydrophobicContact CE2-CE1 4.01Å; Y525-F558 HydrophobicContact CE2-CZ 4.38Å; Y525-F558 AromaticContact CG-CD1 3.8Å; Y525-F558 HydrophobicContact CG-CD1 3.8Å; Y525-F558 HydrophobicContact CG-CD2 4.44Å; Y525-F558 AromaticContact CG-CE1 4Å; Y525-F558 HydrophobicContact CG-CE1 4Å; Y525-F558 HydrophobicContact CG-CG 4.04Å; Y525-F558 HydrophobicContact CG-CZ 4.41Å; Y525-K560 PolarHBondContact N-O 3.35Å; Y525-L561 HydrophobicContact CD1-CD1 3.67Å; Y525-L561 HydrophobicContact CG-CD1 4.36Å; Y525-L561 CarbonylContact O-C 3.52Å; Y525-L561 WeakPolarHBondContact O-CA 3.4Å; Y525-L562 PolarHBondContact O-N 2.84Å
526	I	97.3	Very high	91.6	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	121.6	-175.8	-54	155.1	0	0	0	108.4	V87 L88 S89 M90 V105 I108 I112 I524 L562	V87-I526 HydrophobicContact CG1-CD1 3.94Å; L88-I526 PolarHBondContact O-N 3.18Å; S89-I526 WeakPolarHBondContact CA-O 3.36Å; M90-I526 PolarHBondContact N-O 3.35Å; V105-I526 HydrophobicContact CG1-CG2 4.07Å; I108-I526 HydrophobicContact CG2-CD1 4.14Å; I108-I526 HydrophobicContact CG2-CG2 4.38Å; I112-I526 HydrophobicContact CD1-CD1 4.21Å; I524-I526 HydrophobicContact CG1-CG1 4.35Å; I526-L562 WeakPolarHBondContact CA-O 3.34Å; I526-L562 HydrophobicContact CG1-CB 4.14Å; I526-L562 HydrophobicContact CG1-CD2 4.31Å; I526-L562 HydrophobicContact CG2-CD2 4.37Å
527	G	93.4	Very high	92.1	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-171.3	170.4	-172.4	0	0	0	0	0	115.9	M90 L562 V563 Q564	M90-G527 WeakPolarHBondContact SD-CA 3.43Å; G527-L562 PolarHBondContact N-O 2.97Å; G527-L562 VanDerWaalsContact N-O 3.12Å; G527-V563 VanDerWaalsContact O-CA 3.3Å; G527-V563 WeakPolarHBondContact O-CA 3.16Å; G527-Q564 PolarHBondContact O-N 3.35Å; G527-Q564 PolarHBondContact O-OE1 3.45Å
528	G	88.6	Confident	92.6	Very high	2 Å²	2	32.6 Å²	32.6	2%	0.021	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	149.3	-174.4	0	0	0	0	0	113.1	M90 E530 H531	M90-G528 PolarHBondContact SD-N 3.43Å; G528-E530 WeakPolarHBondContact CA-OE2 3.49Å; G528-E530 PolarHBondContact O-N 3.42Å; G528-H531 PolarHBondContact O-N 2.89Å
529	K	88.1	Confident	93	Very high	122 Å²	122	29.6 Å²	29.6	53%	0.53	15%	0.147	S	C	.	.	G	3₁₀ helix	trans	-62.8	-28.1	177.8	-165.1	-176.8	173.6	-172.7	0	112.2	M269 H531 A532 V563	M269-K529 HydrophobicContact CE-CD 4.06Å; M269-K529 HydrophobicContact CE-CG 3.74Å; M269-K529 HydrophobicContact SD-CD 4.46Å; M269-K529 WeakPolarHBondContact SD-CE 3.39Å; M269-K529 HydrophobicContact SD-CG 4.34Å; K529-H531 PolarHBondContact O-N 3.18Å; K529-A532 VanDerWaalsContact O-CB 3.22Å; K529-A532 WeakPolarHBondContact O-CB 3.39Å; K529-A532 PolarHBondContact O-N 3.21Å; K529-A532 VanDerWaalsContact O-N 3.07Å; K529-V563 HydrophobicContact CB-CG1 3.55Å; K529-V563 HydrophobicContact CG-CG1 4.12Å
530	E	83.9	Confident	93.4	Very high	88 Å²	88	28.4 Å²	28.4	41%	0.411	14%	0.143	S	C	.	.	G	3₁₀ helix	trans	-57.5	-19.2	177.6	61.9	-95	-128	0	0	113.5	G528 K607	G528-E530 WeakPolarHBondContact CA-OE2 3.49Å; G528-E530 PolarHBondContact O-N 3.42Å; E530-K607 IonicContact OE1-NZ 2.95Å; E530-K607 PolarHBondContact OE1-NZ 3.02Å
531	H	89.9	Confident	93.6	Very high	50 Å²	50	26.7 Å²	26.7	23%	0.231	13%	0.134	C	C	.	.	G	3₁₀ helix	trans	-94.5	6.7	-178.9	-67.6	-60.8	0	0	0	113.6	M90 G528 K529 V533 H535 L536	M90-H531 HydrophobicContact CE-CB 3.54Å; M90-H531 HydrophobicContact SD-CB 4.2Å; M90-H531 PolarHBondContact SD-CD2 3.37Å; G528-H531 PolarHBondContact O-N 2.89Å; K529-H531 PolarHBondContact O-N 3.18Å; H531-V533 PolarHBondContact O-N 2.92Å; H531-H535 HydrophobicContact CB-CB 4.02Å; H531-L536 WeakPolarHBondContact O-CB 3.05Å; H531-L536 WeakPolarHBondContact O-CG 3.3Å; H531-L536 PolarHBondContact O-N 3.35Å
532	A	88.5	Confident	93.7	Very high	4 Å²	4	27.7 Å²	27.7	3%	0.033	14%	0.137	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.6	-47.9	-173.8	0	0	0	0	0	114.5	V266 M269 Q270 K529	V266-A532 HydrophobicContact CG1-CB 4.1Å; V266-A532 HydrophobicContact CG2-CB 4.37Å; M269-A532 HydrophobicContact CB-CB 4.41Å; M269-A532 HydrophobicContact CE-CB 3.91Å; M269-A532 HydrophobicContact SD-CB 4.16Å; Q270-A532 VanDerWaalsContact CG-O 3.29Å; Q270-A532 WeakPolarHBondContact CG-O 3.11Å; Q270-A532 PolarHBondContact NE2-O 3.1Å; K529-A532 VanDerWaalsContact O-CB 3.22Å; K529-A532 WeakPolarHBondContact O-CB 3.39Å; K529-A532 PolarHBondContact O-N 3.21Å; K529-A532 VanDerWaalsContact O-N 3.07Å
533	V	87.8	Confident	93.7	Very high	34 Å²	34	28.1 Å²	28.1	21%	0.206	14%	0.14	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105.5	-6.3	-172.6	-61	0	0	0	0	113.8	M269 W273 H531 Y537	M269-V533 HydrophobicContact CB-CG1 4.2Å; W273-V533 HydrophobicContact CB-CB 4.17Å; W273-V533 HydrophobicContact CB-CG1 3.72Å; W273-V533 HydrophobicContact CD2-CB 3.89Å; W273-V533 HydrophobicContact CD2-CG1 4.28Å; W273-V533 HydrophobicContact CD2-CG2 4.25Å; W273-V533 HydrophobicContact CE3-CB 4.28Å; W273-V533 HydrophobicContact CE3-CG2 4.22Å; W273-V533 HydrophobicContact CG-CB 3.79Å; W273-V533 HydrophobicContact CG-CG1 3.92Å; H531-V533 PolarHBondContact O-N 2.92Å; V533-Y537 VanDerWaalsContact O-CB 3.31Å; V533-Y537 WeakPolarHBondContact O-CB 3.49Å
534	M	87	Confident	93.6	Very high	50 Å²	50	26.6 Å²	26.6	25%	0.246	13%	0.132	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104.5	-96.2	175.3	-65.7	-179	76	0	0	110.4	E219 Q220 L536 Y537 Y538	E219-M534 HydrophobicContact CB-CE 3.86Å; E219-M534 HydrophobicContact CB-CG 3.57Å; E219-M534 HydrophobicContact CB-SD 3.74Å; E219-M534 HydrophobicContact CG-CG 3.97Å; Q220-M534 HydrophobicContact CG-CE 3.86Å; M534-L536 VanDerWaalsContact C-N 3.33Å; M534-L536 PolarHBondContact O-N 3.44Å; M534-Y537 WeakPolarHBondContact O-CA 3.43Å; M534-Y537 WeakPolarHBondContact O-CB 2.73Å; M534-Y537 PolarHBondContact O-N 2.85Å; M534-Y538 HydrophobicContact CB-CE2 4.15Å; M534-Y538 VanDerWaalsContact O-CD2 3.26Å; M534-Y538 WeakPolarHBondContact O-CD2 3.47Å; M534-Y538 PolarHBondContact O-N 3.39Å
535	H	93.4	Very high	93.6	Very high	63 Å²	63	25.4 Å²	25.4	29%	0.292	13%	0.126	S	C	.	.	H	α-helix	trans	-48.8	-49.4	-176.4	168.3	76.5	0	0	0	113.3	Y525 H531 Y537 Y538 A539	Y525-H535 AromaticContact CE1-NE2 3.73Å; Y525-H535 AromaticContact CZ-NE2 3.58Å; Y525-H535 PolarHBondContact OH-NE2 2.92Å; H531-H535 HydrophobicContact CB-CB 4.02Å; H535-Y537 VanDerWaalsContact C-N 3.29Å; H535-Y537 PolarHBondContact O-N 3.18Å; H535-Y538 PolarHBondContact O-N 3.04Å; H535-A539 VanDerWaalsContact O-CB 3.24Å; H535-A539 WeakPolarHBondContact O-CB 3.42Å; H535-A539 PolarHBondContact O-N 3.2Å
536	L	96.6	Very high	93.4	Very high	2 Å²	2	25.5 Å²	25.5	1%	0.01	13%	0.128	C	C	.	.	H	α-helix	trans	-67.5	-30.3	-179.7	-68.9	179.1	0	0	0	112.4	M90 W263 V266 Y525 H531 M534 R540 F558 L561	M90-L536 HydrophobicContact CE-CD2 4.38Å; M90-L536 HydrophobicContact CE-CG 4.46Å; W263-L536 HydrophobicContact CZ3-CB 4.49Å; V266-L536 HydrophobicContact CG1-CD1 4.06Å; Y525-L536 HydrophobicContact CD1-CD2 3.76Å; Y525-L536 HydrophobicContact CE1-CD2 3.64Å; H531-L536 WeakPolarHBondContact O-CB 3.05Å; H531-L536 WeakPolarHBondContact O-CG 3.3Å; H531-L536 PolarHBondContact O-N 3.35Å; M534-L536 VanDerWaalsContact C-N 3.33Å; M534-L536 PolarHBondContact O-N 3.44Å; L536-R540 WeakPolarHBondContact O-CD 3.3Å; L536-R540 WeakPolarHBondContact O-CG 3.28Å; L536-R540 PolarHBondContact O-N 2.87Å; L536-F558 HydrophobicContact CD2-CD2 3.95Å; L536-F558 HydrophobicContact CD2-CE2 3.58Å; L536-F558 HydrophobicContact CD2-CZ 4.47Å; L536-L561 HydrophobicContact CD1-CD1 4.09Å; L536-L561 HydrophobicContact CD1-CD2 3.56Å; L536-L561 HydrophobicContact CD2-CD1 4.26Å
537	Y	96	Very high	93.2	Very high	1 Å²	1	29.3 Å²	29.3	0%	0.004	14%	0.142	C	C	.	.	H	α-helix	trans	-72.6	-49	174.5	173.6	-98.1	0	0	0	111	T246 L253 I274 L445 V533 M534 H535 A539 R540 F541	T246-Y537 HydrophobicContact CG2-CE1 4.42Å; L253-Y537 HydrophobicContact CD1-CD2 4.47Å; L253-Y537 HydrophobicContact CD1-CE2 3.67Å; I274-Y537 HydrophobicContact CD1-CD2 4.25Å; I274-Y537 HydrophobicContact CD1-CE2 3.88Å; I274-Y537 HydrophobicContact CG1-CD2 4.27Å; I274-Y537 HydrophobicContact CG1-CE2 3.75Å; L445-Y537 WeakPolarHBondContact CD2-OH 3.3Å; V533-Y537 VanDerWaalsContact O-CB 3.31Å; V533-Y537 WeakPolarHBondContact O-CB 3.49Å; M534-Y537 WeakPolarHBondContact O-CA 3.43Å; M534-Y537 WeakPolarHBondContact O-CB 2.73Å; M534-Y537 PolarHBondContact O-N 2.85Å; H535-Y537 VanDerWaalsContact C-N 3.29Å; H535-Y537 PolarHBondContact O-N 3.18Å; Y537-A539 PolarHBondContact O-N 3.25Å; Y537-R540 WeakPolarHBondContact O-CB 3.47Å; Y537-R540 PolarHBondContact O-N 3.22Å; Y537-F541 PolarHBondContact O-N 2.93Å
538	Y	96.3	Very high	93.3	Very high	21 Å²	21	33 Å²	33	8%	0.082	16%	0.162	C	C	.	.	H	α-helix	trans	-65.6	-36.4	-179.9	-57.3	-45.7	0	0	0	112.8	E219 W448 M534 H535 R540 F541 L542	E219-Y538 PolarHBondContact OE1-OH 2.77Å; E219-Y538 PolarHBondContact OE2-OH 2.8Å; W448-Y538 HydrophobicContact CB-CE1 4.01Å; W448-Y538 AromaticContact CD1-CE1 3.84Å; W448-Y538 AromaticContact CD1-CZ 3.66Å; W448-Y538 AromaticContact CD2-CD1 3.82Å; W448-Y538 HydrophobicContact CD2-CD1 3.82Å; W448-Y538 AromaticContact CD2-CE1 3.74Å; W448-Y538 HydrophobicContact CD2-CE1 3.74Å; W448-Y538 HydrophobicContact CD2-CG 4.32Å; W448-Y538 AromaticContact CE3-CD1 3.89Å; W448-Y538 HydrophobicContact CE3-CD1 3.89Å; W448-Y538 HydrophobicContact CE3-CE1 4.25Å; W448-Y538 HydrophobicContact CE3-CG 4.33Å; W448-Y538 HydrophobicContact CG-CD1 4.18Å; W448-Y538 AromaticContact CG-CE1 3.61Å; W448-Y538 HydrophobicContact CG-CE1 3.61Å; W448-Y538 AromaticContact CG-CZ 3.93Å; W448-Y538 HydrophobicContact CH2-CG 4.38Å; W448-Y538 HydrophobicContact CZ2-CD2 4.22Å; W448-Y538 HydrophobicContact CZ2-CE2 4.46Å; W448-Y538 HydrophobicContact CZ2-CG 4.33Å; W448-Y538 HydrophobicContact CZ3-CD1 4.35Å; W448-Y538 HydrophobicContact CZ3-CG 4.37Å; W448-Y538 AromaticContact NE1-CE2 3.93Å; W448-Y538 AromaticContact NE1-CZ 3.73Å; M534-Y538 HydrophobicContact CB-CE2 4.15Å; M534-Y538 VanDerWaalsContact O-CD2 3.26Å; M534-Y538 WeakPolarHBondContact O-CD2 3.47Å; M534-Y538 PolarHBondContact O-N 3.39Å; H535-Y538 PolarHBondContact O-N 3.04Å; Y538-R540 VanDerWaalsContact C-N 3.33Å; Y538-R540 PolarHBondContact O-N 3.45Å; Y538-F541 PolarHBondContact O-N 3.25Å; Y538-L542 WeakPolarHBondContact O-CB 3.32Å; Y538-L542 WeakPolarHBondContact O-CG 3.26Å; Y538-L542 PolarHBondContact O-N 2.86Å
539	A	97.3	Very high	93.4	Very high	21 Å²	21	37.1 Å²	37.1	17%	0.174	18%	0.181	C	C	.	.	H	α-helix	trans	-62.4	-40.4	174.3	0	0	0	0	0	112	H535 Y537 C543 P557 F558	H535-A539 VanDerWaalsContact O-CB 3.24Å; H535-A539 WeakPolarHBondContact O-CB 3.42Å; H535-A539 PolarHBondContact O-N 3.2Å; Y537-A539 PolarHBondContact O-N 3.25Å; A539-C543 WeakPolarHBondContact O-CB 3.39Å; A539-C543 PolarHBondContact O-N 2.79Å; A539-P557 HydrophobicContact CB-CG 4.43Å; A539-F558 HydrophobicContact CB-CE2 3.87Å; A539-F558 HydrophobicContact CB-CZ 3.8Å
540	R	97.9	Very high	93.4	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-66.5	-46.4	174.6	-67.1	174.6	69.1	-133.5	-7.9	111.3	L253 L257 W263 L536 Y537 Y538 L542 C543 H544 E556 P557	L253-R540 HydrophobicContact CD2-CB 3.7Å; L253-R540 PolarHBondContact O-NH1 2.84Å; L253-R540 PolarHBondContact O-NH2 3.14Å; L257-R540 VanDerWaalsContact CD2-NH1 3.28Å; W263-R540 HydrophobicContact CH2-CG 4.19Å; L536-R540 WeakPolarHBondContact O-CD 3.3Å; L536-R540 WeakPolarHBondContact O-CG 3.28Å; L536-R540 PolarHBondContact O-N 2.87Å; Y537-R540 WeakPolarHBondContact O-CB 3.47Å; Y537-R540 PolarHBondContact O-N 3.22Å; Y538-R540 VanDerWaalsContact C-N 3.33Å; Y538-R540 PolarHBondContact O-N 3.45Å; R540-L542 PolarHBondContact O-N 2.93Å; R540-C543 WeakPolarHBondContact O-CB 3.45Å; R540-C543 PolarHBondContact O-N 3.39Å; R540-C543 VanDerWaalsContact O-N 3.14Å; R540-H544 PolarHBondContact O-CD2 2.84Å; R540-H544 PolarHBondContact O-N 2.8Å; R540-E556 VanDerWaalsContact CG-OE2 3.27Å; R540-E556 WeakPolarHBondContact CG-OE2 3.33Å; R540-E556 IonicContact CZ-OE1 2.67Å; R540-E556 IonicContact CZ-OE2 3.94Å; R540-E556 IonicContact NE-OE1 3.2Å; R540-E556 PolarHBondContact NE-OE1 2.78Å; R540-E556 IonicContact NE-OE2 2.97Å; R540-E556 PolarHBondContact NE-OE2 3.28Å; R540-E556 IonicContact NH2-OE1 3.43Å; R540-E556 PolarHBondContact NH2-OE1 2.69Å; R540-E556 IonicContact NH2-OE2 3.8Å; R540-P557 HydrophobicContact CG-CG 4.21Å
541	F	97.9	Very high	93.6	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-53.5	-51.6	174.7	163.4	-101.1	0	0	0	111.6	L193 I244 T246 Y249 L253 Y537 Y538 C543 H544 F545	L193-F541 HydrophobicContact CD2-CE1 4.27Å; L193-F541 HydrophobicContact CD2-CZ 3.92Å; I244-F541 HydrophobicContact CG2-CE1 3.63Å; I244-F541 HydrophobicContact CG2-CE2 4.44Å; I244-F541 HydrophobicContact CG2-CZ 3.42Å; I244-F541 VanDerWaalsContact CG2-CZ 3.42Å; T246-F541 HydrophobicContact CG2-CD1 4.04Å; T246-F541 HydrophobicContact CG2-CD2 4Å; T246-F541 HydrophobicContact CG2-CE1 4.16Å; T246-F541 HydrophobicContact CG2-CE2 4.1Å; T246-F541 HydrophobicContact CG2-CG 3.97Å; T246-F541 HydrophobicContact CG2-CZ 4.19Å; Y249-F541 HydrophobicContact CD2-CD2 4.03Å; Y249-F541 AromaticContact CD2-CE2 3.55Å; Y249-F541 HydrophobicContact CD2-CE2 3.55Å; Y249-F541 HydrophobicContact CE2-CE2 4.11Å; Y249-F541 AromaticContact CG-CD2 3.93Å; Y249-F541 HydrophobicContact CG-CD2 3.93Å; Y249-F541 AromaticContact CG-CE2 3.96Å; Y249-F541 HydrophobicContact CG-CE2 3.96Å; L253-F541 HydrophobicContact CD1-CB 4.08Å; Y537-F541 PolarHBondContact O-N 2.93Å; Y538-F541 PolarHBondContact O-N 3.25Å; F541-C543 VanDerWaalsContact C-N 3.28Å; F541-C543 PolarHBondContact O-N 2.9Å; F541-H544 PolarHBondContact O-N 3.4Å; F541-F545 WeakPolarHBondContact O-CB 3.13Å; F541-F545 PolarHBondContact O-N 2.81Å
542	L	96.9	Very high	93.6	Very high	53 Å²	53	29.2 Å²	29.2	28%	0.277	16%	0.164	S	C	.	.	H	α-helix	trans	-61.6	-36.7	178.7	-73.9	172.4	0	0	0	112	Y538 R540 F545 C546	Y538-L542 WeakPolarHBondContact O-CB 3.32Å; Y538-L542 WeakPolarHBondContact O-CG 3.26Å; Y538-L542 PolarHBondContact O-N 2.86Å; R540-L542 PolarHBondContact O-N 2.93Å; L542-F545 PolarHBondContact O-N 2.88Å; L542-C546 VanDerWaalsContact O-CB 3.24Å; L542-C546 WeakPolarHBondContact O-CB 3.03Å; L542-C546 PolarHBondContact O-N 3.11Å; L542-C546 PolarHBondContact O-SG 3.33Å
543	C	96.5	Very high	93.8	Very high	13 Å²	13	33.4 Å²	33.4	9%	0.088	19%	0.189	C	C	.	.	H	α-helix	trans	-66.7	-44.4	176.1	-166.1	0	0	0	0	112.2	A539 R540 F541 C546 R547 H554 P557	A539-C543 WeakPolarHBondContact O-CB 3.39Å; A539-C543 PolarHBondContact O-N 2.79Å; R540-C543 WeakPolarHBondContact O-CB 3.45Å; R540-C543 PolarHBondContact O-N 3.39Å; R540-C543 VanDerWaalsContact O-N 3.14Å; F541-C543 VanDerWaalsContact C-N 3.28Å; F541-C543 PolarHBondContact O-N 2.9Å; C543-C546 PolarHBondContact O-N 3.27Å; C543-R547 WeakPolarHBondContact O-CB 3.47Å; C543-R547 PolarHBondContact O-N 2.98Å; C543-H554 PolarHBondContact SG-O 2.88Å; C543-P557 HydrophobicContact CB-CB 4.05Å; C543-P557 HydrophobicContact CB-CG 4.08Å
544	H	97.4	Very high	94	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-61.1	-45.5	174.1	-79.2	-127.6	0	0	0	111.2	Y249 P252 R540 F541 R547 D548 R555 E556	Y249-H544 HydrophobicContact CD1-CB 3.76Å; Y249-H544 HydrophobicContact CE1-CB 3.87Å; P252-H544 PolarHBondContact O-CE1 3.02Å; R540-H544 PolarHBondContact O-CD2 2.84Å; R540-H544 PolarHBondContact O-N 2.8Å; F541-H544 PolarHBondContact O-N 3.4Å; H544-R547 PolarHBondContact O-N 3.4Å; H544-D548 VanDerWaalsContact O-CG 3.25Å; H544-D548 PolarHBondContact O-N 2.97Å; H544-R555 PolarHBondContact CD2-O 3.43Å; H544-R555 PolarHBondContact CE1-NE 3.24Å; H544-R555 VanDerWaalsContact CE1-NE 3.29Å; H544-R555 PolarHBondContact NE2-O 2.9Å; H544-E556 IonicContact CD2-OE1 2.64Å; H544-E556 IonicContact CE1-OE1 3.7Å; H544-E556 IonicContact NE2-OE1 2.72Å; H544-E556 PolarHBondContact NE2-OE1 3.02Å
545	F	96.7	Very high	94.3	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-60.6	-51.4	176.4	173.1	-106.9	0	0	0	111.7	K192 L193 A196 L198 F541 L542 R547 D548 Q549	K192-F545 HydrophobicContact CB-CE1 4.11Å; K192-F545 HydrophobicContact CB-CZ 3.89Å; L193-F545 HydrophobicContact CB-CZ 4.47Å; L193-F545 HydrophobicContact CD2-CD1 3.76Å; L193-F545 HydrophobicContact CD2-CD2 3.76Å; L193-F545 HydrophobicContact CD2-CE1 3.7Å; L193-F545 HydrophobicContact CD2-CE2 3.72Å; L193-F545 HydrophobicContact CD2-CG 3.78Å; L193-F545 HydrophobicContact CD2-CZ 3.68Å; L193-F545 HydrophobicContact CG-CD1 4.17Å; L193-F545 HydrophobicContact CG-CE1 3.73Å; L193-F545 HydrophobicContact CG-CE2 4.37Å; L193-F545 HydrophobicContact CG-CZ 3.85Å; A196-F545 HydrophobicContact CB-CE2 4.06Å; L198-F545 HydrophobicContact CD1-CD2 3.59Å; L198-F545 HydrophobicContact CD1-CE2 3.67Å; F541-F545 WeakPolarHBondContact O-CB 3.13Å; F541-F545 PolarHBondContact O-N 2.81Å; L542-F545 PolarHBondContact O-N 2.88Å; F545-R547 PolarHBondContact O-N 2.64Å; F545-D548 PolarHBondContact O-N 2.97Å; F545-D548 VanDerWaalsContact O-N 3.09Å; F545-Q549 HydrophobicContact CD1-CG 4.41Å; F545-Q549 HydrophobicContact CD2-CG 4.14Å; F545-Q549 HydrophobicContact CE1-CG 3.94Å; F545-Q549 HydrophobicContact CE2-CG 3.63Å; F545-Q549 HydrophobicContact CZ-CG 3.52Å; F545-Q549 WeakPolarHBondContact O-CG 3.42Å; F545-Q549 PolarHBondContact O-N 3.15Å
546	C	94	Very high	94.5	Very high	12 Å²	12	33.4 Å²	33.4	8%	0.081	18%	0.183	C	C	.	.	H	α-helix	trans	-59.1	-36	177.9	-75.3	0	0	0	0	112.2	L542 C543 Q549 G550 L551 V552	L542-C546 VanDerWaalsContact O-CB 3.24Å; L542-C546 WeakPolarHBondContact O-CB 3.03Å; L542-C546 PolarHBondContact O-N 3.11Å; L542-C546 PolarHBondContact O-SG 3.33Å; C543-C546 PolarHBondContact O-N 3.27Å; C546-Q549 CarbonylContact O-C 3.53Å; C546-Q549 PolarHBondContact O-N 2.71Å; C546-G550 PolarHBondContact O-N 3.36Å; C546-L551 HydrophobicContact CB-CB 4.15Å; C546-L551 HydrophobicContact CB-CD1 4.4Å; C546-L551 WeakPolarHBondContact O-CB 3.39Å; C546-L551 PolarHBondContact O-N 3.21Å; C546-V552 HydrophobicContact CB-CG2 3.9Å
547	R	94.2	Very high	94.5	Very high	79 Å²	79	33.9 Å²	33.9	30%	0.298	19%	0.186	S	C	.	.	H	α-helix	trans	-65.1	-46.1	174	-174.1	-156.5	65	-178.1	-3.6	111.8	C543 H544 F545 Q549 G550 V552 R555	C543-R547 WeakPolarHBondContact O-CB 3.47Å; C543-R547 PolarHBondContact O-N 2.98Å; H544-R547 PolarHBondContact O-N 3.4Å; F545-R547 PolarHBondContact O-N 2.64Å; R547-Q549 PolarHBondContact O-N 3.15Å; R547-G550 WeakPolarHBondContact O-CA 3.38Å; R547-G550 PolarHBondContact O-N 2.87Å; R547-V552 WeakPolarHBondContact CA-O 3.21Å; R547-V552 HydrophobicContact CB-CG2 4.14Å; R547-R555 VanDerWaalsContact NH1-CD 3.26Å
548	D	94.3	Very high	94.5	Very high	78 Å²	78	34.5 Å²	34.5	42%	0.417	19%	0.189	S	C	.	.	H	α-helix	trans	-65.3	-28.2	179	-66.1	-5.8	0	0	0	111.9	Y249 H544 F545 G550	Y249-D548 WeakPolarHBondContact CE1-OD2 3.46Å; Y249-D548 PolarHBondContact OH-OD2 3.46Å; H544-D548 VanDerWaalsContact O-CG 3.25Å; H544-D548 PolarHBondContact O-N 2.97Å; F545-D548 PolarHBondContact O-N 2.97Å; F545-D548 VanDerWaalsContact O-N 3.09Å; D548-G550 VanDerWaalsContact C-N 3.28Å
549	Q	90.6	Very high	94.6	Very high	88 Å²	88	35.5 Å²	35.5	41%	0.411	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.5	0.5	170.7	-61.9	-56.7	-54.7	0	0	113.8	F545 C546 R547 L551	F545-Q549 HydrophobicContact CD1-CG 4.41Å; F545-Q549 HydrophobicContact CD2-CG 4.14Å; F545-Q549 HydrophobicContact CE1-CG 3.94Å; F545-Q549 HydrophobicContact CE2-CG 3.63Å; F545-Q549 HydrophobicContact CZ-CG 3.52Å; F545-Q549 WeakPolarHBondContact O-CG 3.42Å; F545-Q549 PolarHBondContact O-N 3.15Å; C546-Q549 CarbonylContact O-C 3.53Å; C546-Q549 PolarHBondContact O-N 2.71Å; R547-Q549 PolarHBondContact O-N 3.15Å; Q549-L551 HydrophobicContact CB-CD1 4.24Å; Q549-L551 HydrophobicContact CB-CG 4.02Å; Q549-L551 PolarHBondContact O-N 3.17Å
550	G	89.4	Confident	94.5	Very high	61 Å²	61	38 Å²	38	63%	0.629	21%	0.206	S	C	*	.	T	Hydrogen-bonded Turn	trans	67.9	18.8	-178.8	0	0	0	0	0	114.7	C546 R547 D548	C546-G550 PolarHBondContact O-N 3.36Å; R547-G550 WeakPolarHBondContact O-CA 3.38Å; R547-G550 PolarHBondContact O-N 2.87Å; D548-G550 VanDerWaalsContact C-N 3.28Å
551	L	86.9	Confident	94.5	Very high	23 Å²	23	38.5 Å²	38.5	12%	0.12	21%	0.208	C	C	.	.	S	Bend	trans	-79.4	-31.7	178.1	-59.5	177.3	0	0	0	111.6	L189 F511 C546 Q549	L189-L551 HydrophobicContact CD2-CD1 4.22Å; F511-L551 HydrophobicContact CE2-CB 4.49Å; F511-L551 WeakPolarHBondContact CE2-O 3.37Å; F511-L551 HydrophobicContact CZ-CB 3.89Å; C546-L551 HydrophobicContact CB-CB 4.15Å; C546-L551 HydrophobicContact CB-CD1 4.4Å; C546-L551 WeakPolarHBondContact O-CB 3.39Å; C546-L551 PolarHBondContact O-N 3.21Å; Q549-L551 HydrophobicContact CB-CD1 4.24Å; Q549-L551 HydrophobicContact CB-CG 4.02Å; Q549-L551 PolarHBondContact O-N 3.17Å
552	V	90.2	Very high	94.4	Very high	11 Å²	11	39.6 Å²	39.6	7%	0.067	21%	0.214	C	C	.	.			trans	-135.5	156.2	174.7	-62.6	0	0	0	0	110.4	F511 A516 L520 C546 R547	F511-V552 HydrophobicContact CE2-CG1 3.78Å; F511-V552 HydrophobicContact CZ-CG1 3.72Å; A516-V552 HydrophobicContact CB-CG1 4.43Å; L520-V552 HydrophobicContact CD1-CG1 4.02Å; C546-V552 HydrophobicContact CB-CG2 3.9Å; R547-V552 WeakPolarHBondContact CA-O 3.21Å; R547-V552 HydrophobicContact CB-CG2 4.14Å
553	T	92	Very high	94.2	Very high	92 Å²	92	38.3 Å²	38.3	56%	0.564	21%	0.209	S	C	*	.	S	Bend	trans	-88.2	-23	175.7	55.5	0	0	0	0	113.5	D517	D517-T553 VanDerWaalsContact CG-OG1 3.24Å; D517-T553 WeakPolarHBondContact OD1-CB 3.37Å; D517-T553 WeakPolarHBondContact OD1-CG2 3.2Å; D517-T553 PolarHBondContact OD1-N 3.29Å; D517-T553 PolarHBondContact OD1-OG1 3.43Å; D517-T553 WeakPolarHBondContact OD2-CG2 3.32Å
554	H	92.8	Very high	94	Very high	50 Å²	50	38.8 Å²	38.8	23%	0.231	21%	0.209	C	C	.	.			trans	-83.9	138.3	-174.1	-59.5	-77.3	0	0	0	111.8	D517 L520 P521 C543	D517-H554 PolarHBondContact O-NE2 3.41Å; D517-H554 VanDerWaalsContact O-NE2 3.12Å; D517-H554 IonicContact OD1-CD2 2.67Å; L520-H554 VanDerWaalsContact CB-CD2 3.42Å; L520-H554 WeakPolarHBondContact CB-CD2 3.42Å; L520-H554 PolarHBondContact O-CE1 3.5Å; L520-H554 VanDerWaalsContact O-CE1 3.25Å; L520-H554 PolarHBondContact O-NE2 2.93Å; P521-H554 WeakPolarHBondContact CD-ND1 3.49Å; C543-H554 PolarHBondContact SG-O 2.88Å
555	R	93.6	Very high	93.6	Very high	74 Å²	74	39 Å²	39	28%	0.279	21%	0.212	S	C	.	.	S	Bend	trans	-79.1	-35.9	176.1	-177.4	179.1	-170.5	-166.4	-1.9	113.1	P252 D259 H544 R547	P252-R555 PolarHBondContact O-NH2 3.29Å; D259-R555 IonicContact OD2-NH1 2.68Å; H544-R555 PolarHBondContact CD2-O 3.43Å; H544-R555 PolarHBondContact CE1-NE 3.24Å; H544-R555 VanDerWaalsContact CE1-NE 3.29Å; H544-R555 PolarHBondContact NE2-O 2.9Å; R547-R555 VanDerWaalsContact NH1-CD 3.26Å
556	E	96.7	Very high	93.3	Very high	22 Å²	22	41.3 Å²	41.3	10%	0.103	22%	0.224	C	C	.	.			trans	-120.4	136.4	-174.2	-70.3	-68.7	160.2	0	0	109.9	A256 L260 P521 R540 H544	A256-E556 WeakPolarHBondContact CB-OE1 3.35Å; L260-E556 HydrophobicContact CD2-CB 3.79Å; L260-E556 HydrophobicContact CD2-CG 3.64Å; L260-E556 HydrophobicContact CG-CG 4.36Å; P521-E556 WeakPolarHBondContact CB-O 3.41Å; R540-E556 VanDerWaalsContact CG-OE2 3.27Å; R540-E556 WeakPolarHBondContact CG-OE2 3.33Å; R540-E556 IonicContact CZ-OE1 2.67Å; R540-E556 IonicContact CZ-OE2 3.94Å; R540-E556 IonicContact NE-OE1 3.2Å; R540-E556 PolarHBondContact NE-OE1 2.78Å; R540-E556 IonicContact NE-OE2 2.97Å; R540-E556 PolarHBondContact NE-OE2 3.28Å; R540-E556 IonicContact NH2-OE1 3.43Å; R540-E556 PolarHBondContact NH2-OE1 2.69Å; R540-E556 IonicContact NH2-OE2 3.8Å; H544-E556 IonicContact CD2-OE1 2.64Å; H544-E556 IonicContact CE1-OE1 3.7Å; H544-E556 IonicContact NE2-OE1 2.72Å; H544-E556 PolarHBondContact NE2-OE1 3.02Å
557	P	96.5	Very high	93.1	Very high	13 Å²	13	40.9 Å²	40.9	8%	0.084	22%	0.221	C	C	.	.	S	Bend	trans	-77.6	-27.1	-174.1	29.9	-33.9	0	0	0	112.7	V522 A539 R540 C543	V522-P557 WeakPolarHBondContact CB-O 3.47Å; V522-P557 PolarHBondContact N-O 3.35Å; A539-P557 HydrophobicContact CB-CG 4.43Å; R540-P557 HydrophobicContact CG-CG 4.21Å; C543-P557 HydrophobicContact CB-CB 4.05Å; C543-P557 HydrophobicContact CB-CG 4.08Å
558	F	97.4	Very high	92.9	Very high	13 Å²	13	39.7 Å²	39.7	6%	0.057	22%	0.218	C	C	.	.	B	Isolated β-bridge	trans	-127.4	122.1	-175.9	-32.6	-64.9	0	0	0	110.9	W263 V522 Y525 L536 A539	W263-F558 AromaticContact CH2-CD2 3.89Å; W263-F558 HydrophobicContact CH2-CD2 3.89Å; W263-F558 HydrophobicContact CZ2-CB 3.88Å; W263-F558 AromaticContact CZ2-CD2 3.84Å; W263-F558 HydrophobicContact CZ2-CD2 3.84Å; W263-F558 HydrophobicContact CZ2-CG 4.36Å; W263-F558 PolarHBondContact NE1-O 2.87Å; V522-F558 HydrophobicContact CB-CD1 3.91Å; V522-F558 HydrophobicContact CG1-CD1 4.44Å; V522-F558 HydrophobicContact CG2-CD1 3.88Å; V522-F558 HydrophobicContact CG2-CE1 4.31Å; Y525-F558 HydrophobicContact CD1-CD1 4.34Å; Y525-F558 HydrophobicContact CD1-CD2 4.26Å; Y525-F558 HydrophobicContact CD1-CE1 4.32Å; Y525-F558 HydrophobicContact CD1-CE2 4.25Å; Y525-F558 HydrophobicContact CD1-CG 4.32Å; Y525-F558 HydrophobicContact CD1-CZ 4.27Å; Y525-F558 AromaticContact CD2-CD1 3.91Å; Y525-F558 HydrophobicContact CD2-CD1 3.91Å; Y525-F558 AromaticContact CD2-CE1 3.83Å; Y525-F558 HydrophobicContact CD2-CE1 3.83Å; Y525-F558 HydrophobicContact CD2-CZ 4.46Å; Y525-F558 HydrophobicContact CE1-CE1 4.46Å; Y525-F558 HydrophobicContact CE1-CE2 4.35Å; Y525-F558 HydrophobicContact CE1-CZ 4.17Å; Y525-F558 HydrophobicContact CE2-CE1 4.01Å; Y525-F558 HydrophobicContact CE2-CZ 4.38Å; Y525-F558 AromaticContact CG-CD1 3.8Å; Y525-F558 HydrophobicContact CG-CD1 3.8Å; Y525-F558 HydrophobicContact CG-CD2 4.44Å; Y525-F558 AromaticContact CG-CE1 4Å; Y525-F558 HydrophobicContact CG-CE1 4Å; Y525-F558 HydrophobicContact CG-CG 4.04Å; Y525-F558 HydrophobicContact CG-CZ 4.41Å; L536-F558 HydrophobicContact CD2-CD2 3.95Å; L536-F558 HydrophobicContact CD2-CE2 3.58Å; L536-F558 HydrophobicContact CD2-CZ 4.47Å; A539-F558 HydrophobicContact CB-CE2 3.87Å; A539-F558 HydrophobicContact CB-CZ 3.8Å
559	S	96.6	Very high	92.6	Very high	42 Å²	42	36.1 Å²	36.1	29%	0.294	20%	0.199	S	C	.	.	S	Bend	trans	-70.8	-49.7	177.2	-176.6	0	0	0	0	111.2	P261 V522	P261-S559 WeakPolarHBondContact CD-O 3.39Å; V522-S559 WeakPolarHBondContact O-CB 3.27Å; V522-S559 PolarHBondContact O-N 3.24Å
560	K	96.7	Very high	92.5	Very high	73 Å²	73	35.5 Å²	35.5	32%	0.317	20%	0.196	S	C	.	.			trans	-124.8	152.6	177.6	-60.2	-179.2	172.3	-148.1	0	111	E262 D523 I524 Y525	E262-K560 VanDerWaalsContact OE1-CE 3.24Å; E262-K560 WeakPolarHBondContact OE1-CE 3.49Å; E262-K560 IonicContact OE1-NZ 3.2Å; E262-K560 PolarHBondContact OE1-NZ 2.61Å; E262-K560 WeakPolarHBondContact OE2-CD 3.41Å; E262-K560 WeakPolarHBondContact OE2-CE 3.34Å; E262-K560 IonicContact OE2-NZ 2.91Å; E262-K560 PolarHBondContact OE2-NZ 2.7Å; D523-K560 WeakPolarHBondContact O-CB 3.47Å; D523-K560 PolarHBondContact O-N 3.01Å; I524-K560 HydrophobicContact CG1-CB 4.37Å; Y525-K560 PolarHBondContact N-O 3.35Å
561	L	96.6	Very high	92.5	Very high	11 Å²	11	32.6 Å²	32.6	6%	0.058	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	122.1	177.3	-178.1	68.8	0	0	0	110.1	W263 V266 Y525 L536 V563	W263-L561 HydrophobicContact CD2-CB 3.93Å; W263-L561 HydrophobicContact CD2-CD2 4.02Å; W263-L561 HydrophobicContact CE3-CD2 3.9Å; W263-L561 HydrophobicContact CG-CB 3.9Å; W263-L561 HydrophobicContact CG-CD2 4.45Å; W263-L561 HydrophobicContact CZ3-CD2 4.35Å; V266-L561 HydrophobicContact CB-CD2 3.97Å; V266-L561 HydrophobicContact CG1-CD2 4.06Å; V266-L561 HydrophobicContact CG2-CD2 3.65Å; Y525-L561 HydrophobicContact CD1-CD1 3.67Å; Y525-L561 HydrophobicContact CG-CD1 4.36Å; Y525-L561 CarbonylContact O-C 3.52Å; Y525-L561 WeakPolarHBondContact O-CA 3.4Å; L536-L561 HydrophobicContact CD1-CD1 4.09Å; L536-L561 HydrophobicContact CD1-CD2 3.56Å; L536-L561 HydrophobicContact CD2-CD1 4.26Å; L561-V563 HydrophobicContact CD2-CG2 3.81Å; L561-V563 HydrophobicContact CG-CG2 3.93Å
562	L	95.9	Very high	92.6	Very high	23 Å²	23	32.3 Å²	32.3	12%	0.12	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	106.3	168.3	-178.5	61.4	0	0	0	108.9	I108 I524 Y525 I526 G527 Q564 P640 E641	I108-L562 HydrophobicContact CG2-CD2 3.65Å; I524-L562 HydrophobicContact CD1-CB 4.19Å; I524-L562 HydrophobicContact CG1-CB 4.43Å; Y525-L562 PolarHBondContact O-N 2.84Å; I526-L562 WeakPolarHBondContact CA-O 3.34Å; I526-L562 HydrophobicContact CG1-CB 4.14Å; I526-L562 HydrophobicContact CG1-CD2 4.31Å; I526-L562 HydrophobicContact CG2-CD2 4.37Å; G527-L562 PolarHBondContact N-O 2.97Å; G527-L562 VanDerWaalsContact N-O 3.12Å; L562-Q564 PolarHBondContact O-N 3.45Å; L562-P640 HydrophobicContact CD1-CB 4.14Å; L562-P640 HydrophobicContact CD2-CB 4.15Å; L562-P640 HydrophobicContact CG-CB 4.48Å; L562-E641 HydrophobicContact CD1-CG 4.22Å
563	V	94.4	Very high	92.7	Very high	27 Å²	27	33.5 Å²	33.5	16%	0.164	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	106.8	175.4	-178.2	0	0	0	0	108.8	V266 G527 K529 L561	V266-V563 HydrophobicContact CG2-CG2 3.72Å; G527-V563 VanDerWaalsContact O-CA 3.3Å; G527-V563 WeakPolarHBondContact O-CA 3.16Å; K529-V563 HydrophobicContact CB-CG1 3.55Å; K529-V563 HydrophobicContact CG-CG1 4.12Å; L561-V563 HydrophobicContact CD2-CG2 3.81Å; L561-V563 HydrophobicContact CG-CG2 3.93Å
564	Q	91.4	Very high	92.5	Very high	22 Å²	22	31.5 Å²	31.5	10%	0.103	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.1	148.2	180	76.6	-84.6	-15.9	0	0	112.4	V105 G527 L562 P640	V105-Q564 VanDerWaalsContact CG2-CD 3.43Å; V105-Q564 HydrophobicContact CG2-CG 3.81Å; V105-Q564 VanDerWaalsContact CG2-NE2 3.34Å; G527-Q564 PolarHBondContact O-N 3.35Å; G527-Q564 PolarHBondContact O-OE1 3.45Å; L562-Q564 PolarHBondContact O-N 3.45Å; Q564-P640 CarbonylContact C-O 3.57Å; Q564-P640 VanDerWaalsContact CA-O 3.28Å; Q564-P640 WeakPolarHBondContact CA-O 3.37Å
565	G	89.8	Confident	92.1	Very high	5 Å²	5	31.1 Å²	31.1	5%	0.052	16%	0.159	C	C	.	.	P	Polyproline II helix	trans	-70.5	159.3	162.3	0	0	0	0	0	111.6	R104 P640 E641	R104-G565 PolarHBondContact NH1-O 3.1Å; G565-P640 PolarHBondContact N-O 2.97Å; G565-E641 WeakPolarHBondContact CA-O 3.24Å; G565-E641 PolarHBondContact N-O 3.31Å
566	L	89.8	Confident	91.6	Very high	48 Å²	48	31.8 Å²	31.8	25%	0.251	19%	0.189	S	C	.	.	P	Polyproline II helix	trans	-82.3	150.6	-178.2	-58.7	175	0	0	0	111.3	R104 K568 K607 D643 I644	R104-L566 PolarHBondContact NH1-O 3.41Å; L566-K568 HydrophobicContact CB-CG 4.45Å; L566-K607 HydrophobicContact CD1-CB 4.09Å; L566-K607 HydrophobicContact CD1-CD 4.07Å; L566-K607 HydrophobicContact CD1-CG 4.14Å; L566-K607 HydrophobicContact CD2-CD 4.04Å; L566-K607 HydrophobicContact CD2-CG 4.29Å; L566-D643 PolarHBondContact N-OD1 3.15Å; L566-D643 CarbonylContact O-C 3.55Å; L566-D643 VanDerWaalsContact O-CA 3.23Å; L566-D643 WeakPolarHBondContact O-CA 3.38Å; L566-I644 PolarHBondContact O-N 3.13Å
567	I	89	Confident	91	Very high	4 Å²	4	34.4 Å²	34.4	2%	0.021	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	119.6	158.3	-59.1	-160	0	0	0	107.6	M100 R104 M608 I644 W646	M100-I567 HydrophobicContact CB-CD1 4.03Å; M100-I567 HydrophobicContact CB-CG2 4.37Å; M100-I567 WeakPolarHBondContact O-CD1 3.25Å; R104-I567 HydrophobicContact CB-CD1 3.87Å; R104-I567 HydrophobicContact CB-CG1 4.15Å; I567-M608 HydrophobicContact CB-SD 4.45Å; I567-M608 HydrophobicContact CG2-CE 3.62Å; I567-M608 HydrophobicContact CG2-CG 4.5Å; I567-M608 HydrophobicContact CG2-SD 3.78Å; I567-M608 PolarHBondContact O-N 3.31Å; I567-I644 HydrophobicContact CD1-CD1 4.45Å; I567-I644 HydrophobicContact CG1-CB 4.35Å; I567-I644 HydrophobicContact CG1-CD1 4.48Å; I567-W646 HydrophobicContact CD1-CE3 4.43Å; I567-W646 HydrophobicContact CG2-CB 4.12Å; I567-W646 HydrophobicContact CG2-CE3 4.08Å
568	K	90.3	Very high	90.4	Very high	54 Å²	54	35.4 Å²	35.4	24%	0.235	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	120.2	179.6	-67.8	178.8	165.4	167.2	0	109.7	L566 F605 E606 D643 I644 L645 W646	L566-K568 HydrophobicContact CB-CG 4.45Å; K568-F605 HydrophobicContact CB-CB 4.15Å; K568-E606 CarbonylContact C-O 3.41Å; K568-E606 WeakPolarHBondContact CA-O 3.26Å; K568-D643 HydrophobicContact CD-CB 4.22Å; K568-D643 WeakPolarHBondContact CE-OD2 3.38Å; K568-D643 IonicContact NZ-OD2 2.76Å; K568-D643 PolarHBondContact NZ-OD2 3.07Å; K568-I644 PolarHBondContact N-O 3.2Å; K568-L645 HydrophobicContact CB-CD2 3.9Å; K568-L645 HydrophobicContact CD-CD2 3.82Å; K568-L645 HydrophobicContact CG-CD2 4.4Å; K568-W646 PolarHBondContact O-N 3.05Å
569	G	87.9	Confident	89.9	Confident	2 Å²	2	40.4 Å²	40.4	2%	0.021	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	149.5	175.2	0	0	0	0	0	111.2	T571 E606	G569-T571 PolarHBondContact O-N 2.84Å; G569-T571 PolarHBondContact O-OG1 2.67Å; G569-E606 PolarHBondContact N-O 3.32Å; G569-E606 PolarHBondContact O-N 3.16Å; G569-E606 VanDerWaalsContact O-N 3.14Å
570	Q	88.3	Confident	89.5	Confident	76 Å²	76	41.7 Å²	41.7	36%	0.355	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-60.9	122.8	168.5	-170	174.8	36.8	0	0	109.1	F572 V603 F605 N614	Q570-F572 HydrophobicContact CG-CE1 4.31Å; Q570-F572 HydrophobicContact CG-CE2 4.21Å; Q570-F572 HydrophobicContact CG-CZ 3.81Å; Q570-V603 HydrophobicContact CG-CG1 3.6Å; Q570-F605 HydrophobicContact CB-CE1 4.12Å; Q570-F605 HydrophobicContact CB-CZ 4.32Å; Q570-F605 HydrophobicContact CG-CZ 4.47Å; Q570-N614 WeakPolarHBondContact O-CB 3.47Å
571	T	89.4	Confident	89	Confident	0 Å²	0	38.8 Å²	38.8	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	137.6	-170.6	-51.3	0	0	0	0	109.1	G569 Y580 V603 T604 K612 N614	G569-T571 PolarHBondContact O-N 2.84Å; G569-T571 PolarHBondContact O-OG1 2.67Å; T571-Y580 HydrophobicContact CG2-CD1 3.63Å; T571-Y580 HydrophobicContact CG2-CE1 3.69Å; T571-V603 WeakPolarHBondContact O-CA 3.32Å; T571-T604 PolarHBondContact N-O 3.07Å; T571-T604 PolarHBondContact O-N 3.3Å; T571-K612 HydrophobicContact CG2-CB 4.23Å; T571-N614 PolarHBondContact OG1-ND2 3.47Å
572	F	90.3	Very high	88.6	Confident	16 Å²	16	42.9 Å²	42.9	7%	0.07	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	131.3	-175.4	-58.4	-83.4	0	0	0	110	Q570 L581 I586 F588 P593 V601 E602 V603	Q570-F572 HydrophobicContact CG-CE1 4.31Å; Q570-F572 HydrophobicContact CG-CE2 4.21Å; Q570-F572 HydrophobicContact CG-CZ 3.81Å; F572-L581 HydrophobicContact CB-CB 4.2Å; F572-L581 PolarHBondContact O-N 3.04Å; F572-I586 HydrophobicContact CB-CD1 3.24Å; F572-I586 HydrophobicContact CD1-CD1 3.64Å; F572-I586 HydrophobicContact CD2-CD1 3.61Å; F572-I586 HydrophobicContact CE1-CD1 4.37Å; F572-I586 HydrophobicContact CE2-CD1 4.35Å; F572-I586 HydrophobicContact CG-CD1 3.2Å; F572-F588 AromaticContact CE1-CE1 3.9Å; F572-F588 HydrophobicContact CE1-CE1 3.9Å; F572-F588 HydrophobicContact CE1-CZ 4.07Å; F572-F588 HydrophobicContact CE2-CZ 4.43Å; F572-F588 AromaticContact CZ-CE1 3.87Å; F572-F588 HydrophobicContact CZ-CE1 3.87Å; F572-F588 AromaticContact CZ-CZ 3.75Å; F572-F588 HydrophobicContact CZ-CZ 3.75Å; F572-P593 HydrophobicContact CE1-CB 4.39Å; F572-P593 HydrophobicContact CE1-CG 4.35Å; F572-V601 HydrophobicContact CB-CG1 3.9Å; F572-V601 HydrophobicContact CD1-CG1 3.91Å; F572-V601 HydrophobicContact CG-CG1 4.4Å; F572-E602 WeakPolarHBondContact CA-O 3.24Å; F572-V603 HydrophobicContact CD1-CG1 4.37Å; F572-V603 HydrophobicContact CD1-CG2 3.91Å; F572-V603 HydrophobicContact CE1-CG1 4.09Å; F572-V603 HydrophobicContact CE1-CG2 3.97Å
573	K	90.6	Very high	88	Confident	37 Å²	37	48.4 Å²	48.4	16%	0.161	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	146.5	178.6	-66.4	179.1	-179.1	173.8	0	111.3	A575 Q579 Y580 V601 E602 E606	K573-A575 PolarHBondContact O-N 3.22Å; K573-Q579 CarbonylContact C-O 3.5Å; K573-Q579 VanDerWaalsContact CA-O 3.24Å; K573-Q579 WeakPolarHBondContact CA-O 3.32Å; K573-Y580 HydrophobicContact CD-CD1 4.48Å; K573-Y580 HydrophobicContact CD-CE1 4.21Å; K573-Y580 HydrophobicContact CG-CD1 3.96Å; K573-Y580 HydrophobicContact CG-CE1 4.18Å; K573-V601 CarbonylContact O-C 3.52Å; K573-V601 WeakPolarHBondContact O-CA 3.37Å; K573-E602 HydrophobicContact CB-CB 4.49Å; K573-E602 PolarHBondContact N-O 2.92Å; K573-E602 PolarHBondContact O-N 3.09Å; K573-E606 WeakPolarHBondContact CE-OE1 3.45Å; K573-E606 IonicContact NZ-OE1 2.74Å; K573-E606 PolarHBondContact NZ-OE1 3.3Å; K573-E606 IonicContact NZ-OE2 2.61Å
574	L	89.1	Confident	87.6	Confident	50 Å²	50	53.7 Å²	53.7	26%	0.262	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.4	124.2	169	-177.1	61.7	0	0	0	109.7	G576 G578 Q579 L581 T595	L574-G576 PolarHBondContact O-N 3Å; L574-G578 PolarHBondContact O-N 3.27Å; L574-Q579 PolarHBondContact N-O 2.8Å; L574-L581 HydrophobicContact CB-CD1 4.31Å; L574-L581 HydrophobicContact CB-CD2 4.41Å; L574-T595 HydrophobicContact CD1-CG2 3.83Å
575	A	84.9	Confident	87.4	Confident	41 Å²	41	56.4 Å²	56.4	34%	0.339	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.7	127.3	178.6	0	0	0	0	0	110.3	K573 R600	K573-A575 PolarHBondContact O-N 3.22Å; A575-R600 HydrophobicContact CB-CB 3.94Å; A575-R600 HydrophobicContact CB-CG 3.97Å; A575-R600 WeakPolarHBondContact CB-O 3.36Å; A575-R600 PolarHBondContact N-O 2.72Å
576	G	82.7	Confident	87.2	Confident	88 Å²	88	56.7 Å²	56.7	91%	0.907	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	102.8	-53	-178.3	0	0	0	0	0	113.6	L574	L574-G576 PolarHBondContact O-N 3Å
577	S	83.5	Confident	87	Confident	77 Å²	77	59.5 Å²	59.5	54%	0.538	32%	0.321	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.7	-24.6	179.5	71.8	0	0	0	0	113.8	Q579	S577-Q579 PolarHBondContact O-N 2.99Å; S577-Q579 WeakPolarHBondContact OG-CB 3.22Å; S577-Q579 PolarHBondContact OG-N 3.03Å
578	G	84	Confident	86.8	Confident	35 Å²	35	64.6 Å²	64.6	36%	0.361	34%	0.343	S	S	.	.			trans	72	6.9	-175.5	0	0	0	0	0	114.4	L574 Y580	L574-G578 PolarHBondContact O-N 3.27Å; G578-Y580 PolarHBondContact O-N 3.5Å
579	Q	86	Confident	86.2	Confident	118 Å²	118	64.7 Å²	64.7	55%	0.551	35%	0.349	S	S	*	.			trans	-62.5	130.1	178.1	-179.2	-179.9	-5.8	0	0	110.7	K573 L574 S577	K573-Q579 CarbonylContact C-O 3.5Å; K573-Q579 VanDerWaalsContact CA-O 3.24Å; K573-Q579 WeakPolarHBondContact CA-O 3.32Å; L574-Q579 PolarHBondContact N-O 2.8Å; S577-Q579 PolarHBondContact O-N 2.99Å; S577-Q579 WeakPolarHBondContact OG-CB 3.22Å; S577-Q579 PolarHBondContact OG-N 3.03Å
580	Y	89.1	Confident	85.3	Confident	69 Å²	69	68.8 Å²	68.8	27%	0.271	39%	0.391	S	S	.	.	B	Isolated β-bridge	trans	-67.1	136	174.6	-63.8	-75.9	0	0	0	111	T571 K573 G578 E606 K612	T571-Y580 HydrophobicContact CG2-CD1 3.63Å; T571-Y580 HydrophobicContact CG2-CE1 3.69Å; K573-Y580 HydrophobicContact CD-CD1 4.48Å; K573-Y580 HydrophobicContact CD-CE1 4.21Å; K573-Y580 HydrophobicContact CG-CD1 3.96Å; K573-Y580 HydrophobicContact CG-CE1 4.18Å; G578-Y580 PolarHBondContact O-N 3.5Å; Y580-E606 PolarHBondContact OH-OE2 2.98Å; Y580-K612 HydrophobicContact CD1-CB 4.03Å; Y580-K612 HydrophobicContact CD1-CG 3.97Å; Y580-K612 HydrophobicContact CD2-CG 4.49Å; Y580-K612 HydrophobicContact CE1-CB 4.05Å; Y580-K612 HydrophobicContact CE1-CD 3.96Å; Y580-K612 HydrophobicContact CE1-CG 3.54Å; Y580-K612 HydrophobicContact CE2-CG 4.16Å; Y580-K612 HydrophobicContact CG-CG 4.42Å
581	L	86.6	Confident	84.6	Confident	12 Å²	12	73.3 Å²	73.3	6%	0.063	42%	0.418	C	S	.	.			trans	-111.3	141.3	-179.1	-61	173	0	0	0	110	F572 L574 I586 T595 V601	F572-L581 HydrophobicContact CB-CB 4.2Å; F572-L581 PolarHBondContact O-N 3.04Å; L574-L581 HydrophobicContact CB-CD1 4.31Å; L574-L581 HydrophobicContact CB-CD2 4.41Å; L581-I586 HydrophobicContact CB-CD1 4.1Å; L581-I586 HydrophobicContact CB-CG1 4.27Å; L581-I586 HydrophobicContact CD1-CG1 4.45Å; L581-T595 HydrophobicContact CD1-CG2 3.85Å; L581-V601 HydrophobicContact CD1-CG1 4.17Å; L581-V601 HydrophobicContact CD1-CG2 3.74Å
582	K	88.3	Confident	84	Confident	97 Å²	97	74.6 Å²	74.6	42%	0.422	43%	0.431	S	S	.	.			trans	-76.8	157.4	168.5	-59.7	176.7	-178.5	173.9	0	110.1	E584 E585 I586 H613	K582-E584 VanDerWaalsContact CB-OE2 3.32Å; K582-E584 WeakPolarHBondContact CB-OE2 3.43Å; K582-E584 PolarHBondContact O-N 3.31Å; K582-E585 HydrophobicContact CB-CG 4.21Å; K582-E585 WeakPolarHBondContact CB-OE2 3.45Å; K582-E585 PolarHBondContact N-OE2 3.29Å; K582-E585 WeakPolarHBondContact O-CB 3.24Å; K582-E585 PolarHBondContact O-N 3.08Å; K582-E585 VanDerWaalsContact O-N 3.09Å; K582-I586 WeakPolarHBondContact O-CD1 3.41Å; K582-I586 WeakPolarHBondContact O-CG1 3.48Å; K582-H613 HydrophobicContact CG-CB 4.18Å
583	K	82.6	Confident	83.7	Confident	138 Å²	138	75.3 Å²	75.3	60%	0.6	44%	0.437	S	S	*	.	G	3₁₀ helix	trans	-63	-30.6	-178.3	-168.3	176.6	178.1	-176.4	0	112.3	E585 I586 F588	K583-E585 PolarHBondContact O-N 3.43Å; K583-I586 PolarHBondContact O-N 3.42Å; K583-F588 HydrophobicContact CG-CE2 4.28Å
584	E	86.7	Confident	83.6	Confident	139 Å²	139	75.3 Å²	75.3	65%	0.65	44%	0.44	S	S	*	.	G	3₁₀ helix	trans	-73.7	-16.7	179.6	-54.3	70.6	-139.7	0	0	112.6	K582 I586 L596	K582-E584 VanDerWaalsContact CB-OE2 3.32Å; K582-E584 WeakPolarHBondContact CB-OE2 3.43Å; K582-E584 PolarHBondContact O-N 3.31Å; E584-I586 VanDerWaalsContact C-N 3.26Å; E584-L596 WeakPolarHBondContact O-CD1 3.15Å
585	E	85.8	Confident	83.5	Confident	79 Å²	79	73.4 Å²	73.4	37%	0.369	43%	0.431	S	S	.	.	G	3₁₀ helix	trans	-87.9	3.1	178.6	-60.4	175.7	117.3	0	0	112.4	K582 K583 T595 L596	K582-E585 HydrophobicContact CB-CG 4.21Å; K582-E585 WeakPolarHBondContact CB-OE2 3.45Å; K582-E585 PolarHBondContact N-OE2 3.29Å; K582-E585 WeakPolarHBondContact O-CB 3.24Å; K582-E585 PolarHBondContact O-N 3.08Å; K582-E585 VanDerWaalsContact O-N 3.09Å; K583-E585 PolarHBondContact O-N 3.43Å; E585-T595 WeakPolarHBondContact O-CA 3.35Å; E585-L596 PolarHBondContact O-N 2.88Å; E585-L596 VanDerWaalsContact O-N 3.08Å
586	I	86.9	Confident	83.5	Confident	11 Å²	11	77.2 Å²	77.2	6%	0.056	45%	0.445	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	131.8	-170.1	-57	168.5	0	0	0	110	F572 L581 K582 K583 E584 F588 P593 V594	F572-I586 HydrophobicContact CB-CD1 3.24Å; F572-I586 HydrophobicContact CD1-CD1 3.64Å; F572-I586 HydrophobicContact CD2-CD1 3.61Å; F572-I586 HydrophobicContact CE1-CD1 4.37Å; F572-I586 HydrophobicContact CE2-CD1 4.35Å; F572-I586 HydrophobicContact CG-CD1 3.2Å; L581-I586 HydrophobicContact CB-CD1 4.1Å; L581-I586 HydrophobicContact CB-CG1 4.27Å; L581-I586 HydrophobicContact CD1-CG1 4.45Å; K582-I586 WeakPolarHBondContact O-CD1 3.41Å; K582-I586 WeakPolarHBondContact O-CG1 3.48Å; K583-I586 PolarHBondContact O-N 3.42Å; E584-I586 VanDerWaalsContact C-N 3.26Å; I586-F588 HydrophobicContact CB-CE2 4.4Å; I586-F588 HydrophobicContact CG2-CD2 4.42Å; I586-F588 HydrophobicContact CG2-CE1 4.39Å; I586-F588 HydrophobicContact CG2-CE2 4.07Å; I586-F588 HydrophobicContact CG2-CZ 4.05Å; I586-P593 HydrophobicContact CG2-CB 3.57Å; I586-V594 CarbonylContact C-O 3.53Å; I586-V594 WeakPolarHBondContact CA-O 3.28Å
587	E	85.9	Confident	83.5	Confident	106 Å²	106	78.3 Å²	78.3	50%	0.495	44%	0.439	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	125.5	168.9	-169	174.2	-163.9	0	0	110	T589 P593 V594 L596	E587-T589 HydrophobicContact CG-CG2 4.14Å; E587-T589 PolarHBondContact O-N 2.88Å; E587-P593 WeakPolarHBondContact O-CA 3.46Å; E587-V594 HydrophobicContact CB-CG2 4.15Å; E587-V594 PolarHBondContact N-O 2.65Å; E587-V594 PolarHBondContact O-N 3.01Å; E587-L596 HydrophobicContact CB-CD2 4.41Å
588	F	84.2	Confident	83.3	Confident	111 Å²	111	77.5 Å²	77.5	49%	0.487	44%	0.442	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	93.9	178	-67	-87.6	0	0	0	110	F572 K583 I586 P593	F572-F588 AromaticContact CE1-CE1 3.9Å; F572-F588 HydrophobicContact CE1-CE1 3.9Å; F572-F588 HydrophobicContact CE1-CZ 4.07Å; F572-F588 HydrophobicContact CE2-CZ 4.43Å; F572-F588 AromaticContact CZ-CE1 3.87Å; F572-F588 HydrophobicContact CZ-CE1 3.87Å; F572-F588 AromaticContact CZ-CZ 3.75Å; F572-F588 HydrophobicContact CZ-CZ 3.75Å; K583-F588 HydrophobicContact CG-CE2 4.28Å; I586-F588 HydrophobicContact CB-CE2 4.4Å; I586-F588 HydrophobicContact CG2-CD2 4.42Å; I586-F588 HydrophobicContact CG2-CE1 4.39Å; I586-F588 HydrophobicContact CG2-CE2 4.07Å; I586-F588 HydrophobicContact CG2-CZ 4.05Å; F588-P593 HydrophobicContact CD1-CB 4.19Å; F588-P593 HydrophobicContact CE1-CB 4.18Å
589	T	77.6	Confident	83.4	Confident	57 Å²	57	76.9 Å²	76.9	35%	0.35	44%	0.436	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	167.9	176.9	74.9	0	0	0	0	111.6	E587 N591 G592 V594	E587-T589 HydrophobicContact CG-CG2 4.14Å; E587-T589 PolarHBondContact O-N 2.88Å; T589-N591 PolarHBondContact O-N 2.77Å; T589-N591 VanDerWaalsContact O-N 3.13Å; T589-N591 PolarHBondContact OG1-N 2.87Å; T589-G592 PolarHBondContact N-O 3.37Å; T589-G592 PolarHBondContact O-N 2.95Å; T589-G592 PolarHBondContact OG1-O 2.82Å; T589-V594 HydrophobicContact CG2-CG2 3.98Å
590	G	69.1	Low	83.5	Confident	88 Å²	88	80.8 Å²	80.8	91%	0.907	45%	0.446	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.8	-20.1	174.5	0	0	0	0	0	114.5
591	N	72.8	Confident	83.5	Confident	170 Å²	170	78.1 Å²	78.1	91%	0.909	44%	0.436	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.9	3.7	178.5	-66.6	-20	0	0	0	113.3	T589	T589-N591 PolarHBondContact O-N 2.77Å; T589-N591 VanDerWaalsContact O-N 3.13Å; T589-N591 PolarHBondContact OG1-N 2.87Å
592	G	77.8	Confident	83.6	Confident	27 Å²	27	82.3 Å²	82.3	28%	0.278	46%	0.456	S	S	.	.	E	Extended strand (participates in β ladder)	trans	114.8	177.9	-177.9	0	0	0	0	0	113.7	T589	T589-G592 PolarHBondContact N-O 3.37Å; T589-G592 PolarHBondContact O-N 2.95Å; T589-G592 PolarHBondContact OG1-O 2.82Å
593	P	84.1	Confident	83.6	Confident	31 Å²	31	80.4 Å²	80.4	20%	0.201	45%	0.452	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.9	135.5	179.2	27.7	-29.5	0	0	0	111.5	F572 I586 E587 F588 V601 V603	F572-P593 HydrophobicContact CE1-CB 4.39Å; F572-P593 HydrophobicContact CE1-CG 4.35Å; I586-P593 HydrophobicContact CG2-CB 3.57Å; E587-P593 WeakPolarHBondContact O-CA 3.46Å; F588-P593 HydrophobicContact CD1-CB 4.19Å; F588-P593 HydrophobicContact CE1-CB 4.18Å; P593-V601 HydrophobicContact CB-CB 4.33Å; P593-V601 HydrophobicContact CB-CG1 4.39Å; P593-V601 HydrophobicContact CG-CB 4.47Å; P593-V601 HydrophobicContact CG-CG1 4.43Å; P593-V603 HydrophobicContact CG-CG2 3.38Å
594	V	87.7	Confident	83.9	Confident	38 Å²	38	75.3 Å²	75.3	23%	0.23	43%	0.433	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	158.6	171.6	-65	0	0	0	0	109	I586 E587 T589 G599	I586-V594 CarbonylContact C-O 3.53Å; I586-V594 WeakPolarHBondContact CA-O 3.28Å; E587-V594 HydrophobicContact CB-CG2 4.15Å; E587-V594 PolarHBondContact N-O 2.65Å; E587-V594 PolarHBondContact O-N 3.01Å; T589-V594 HydrophobicContact CG2-CG2 3.98Å; V594-G599 CarbonylContact C-O 3.54Å; V594-G599 WeakPolarHBondContact CA-O 3.5Å
595	T	86.6	Confident	84	Confident	10 Å²	10	72 Å²	72	6%	0.061	42%	0.416	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.4	160.2	171	66.6	0	0	0	0	109.8	L574 L581 E585 S597 G598 G599 V601	L574-T595 HydrophobicContact CD1-CG2 3.83Å; L581-T595 HydrophobicContact CD1-CG2 3.85Å; E585-T595 WeakPolarHBondContact O-CA 3.35Å; T595-S597 PolarHBondContact O-N 3.38Å; T595-S597 PolarHBondContact OG1-N 3.39Å; T595-S597 PolarHBondContact OG1-OG 3.21Å; T595-G598 PolarHBondContact O-N 2.85Å; T595-G598 PolarHBondContact OG1-N 2.99Å; T595-G599 PolarHBondContact N-O 3.36Å; T595-G599 VanDerWaalsContact OG1-CA 3.29Å; T595-G599 WeakPolarHBondContact OG1-CA 3.44Å; T595-G599 PolarHBondContact OG1-N 3.45Å; T595-V601 HydrophobicContact CG2-CG2 3.7Å
596	L	85.1	Confident	84.1	Confident	121 Å²	121	69.8 Å²	69.8	63%	0.634	41%	0.406	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.2	-22.8	172.1	-65.1	176.9	0	0	0	113.5	E584 E585 E587	E584-L596 WeakPolarHBondContact O-CD1 3.15Å; E585-L596 PolarHBondContact O-N 2.88Å; E585-L596 VanDerWaalsContact O-N 3.08Å; E587-L596 HydrophobicContact CB-CD2 4.41Å
597	S	82.6	Confident	84	Confident	111 Å²	111	73.4 Å²	73.4	78%	0.776	42%	0.421	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.2	5.2	175.3	53.4	0	0	0	0	114.4	T595	T595-S597 PolarHBondContact O-N 3.38Å; T595-S597 PolarHBondContact OG1-N 3.39Å; T595-S597 PolarHBondContact OG1-OG 3.21Å
598	G	80.7	Confident	84	Confident	59 Å²	59	68.5 Å²	68.5	61%	0.608	40%	0.398	S	S	*	.	S	Bend	trans	80.9	9.8	-179.2	0	0	0	0	0	115.1	T595	T595-G598 PolarHBondContact O-N 2.85Å; T595-G598 PolarHBondContact OG1-N 2.99Å
599	G	84.4	Confident	83.8	Confident	23 Å²	23	64.6 Å²	64.6	24%	0.237	39%	0.385	C	S	.	.			trans	-70.3	148	175.2	0	0	0	0	0	112.3	V594 T595	V594-G599 CarbonylContact C-O 3.54Å; V594-G599 WeakPolarHBondContact CA-O 3.5Å; T595-G599 PolarHBondContact N-O 3.36Å; T595-G599 VanDerWaalsContact OG1-CA 3.29Å; T595-G599 WeakPolarHBondContact OG1-CA 3.44Å; T595-G599 PolarHBondContact OG1-N 3.45Å
600	R	88	Confident	83.7	Confident	200 Å²	200	67 Å²	67	76%	0.755	39%	0.39	S	S	*	.	B	Isolated β-bridge	trans	-71.3	130.8	178.4	-176.9	179.1	178.6	-178.6	-1	110.5	A575	A575-R600 HydrophobicContact CB-CB 3.94Å; A575-R600 HydrophobicContact CB-CG 3.97Å; A575-R600 WeakPolarHBondContact CB-O 3.36Å; A575-R600 PolarHBondContact N-O 2.72Å
601	V	90.2	Very high	84.1	Confident	12 Å²	12	66.8 Å²	66.8	7%	0.073	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	132.5	176.2	177.7	0	0	0	0	109.9	F572 K573 L581 P593 T595	F572-V601 HydrophobicContact CB-CG1 3.9Å; F572-V601 HydrophobicContact CD1-CG1 3.91Å; F572-V601 HydrophobicContact CG-CG1 4.4Å; K573-V601 CarbonylContact O-C 3.52Å; K573-V601 WeakPolarHBondContact O-CA 3.37Å; L581-V601 HydrophobicContact CD1-CG1 4.17Å; L581-V601 HydrophobicContact CD1-CG2 3.74Å; P593-V601 HydrophobicContact CB-CB 4.33Å; P593-V601 HydrophobicContact CB-CG1 4.39Å; P593-V601 HydrophobicContact CG-CB 4.47Å; P593-V601 HydrophobicContact CG-CG1 4.43Å; T595-V601 HydrophobicContact CG2-CG2 3.7Å
602	E	88.9	Confident	84.6	Confident	101 Å²	101	60.6 Å²	60.6	47%	0.472	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	135.2	168.6	-171.1	180	173	0	0	109.6	F572 K573 T604	F572-E602 WeakPolarHBondContact CA-O 3.24Å; K573-E602 HydrophobicContact CB-CB 4.49Å; K573-E602 PolarHBondContact N-O 2.92Å; K573-E602 PolarHBondContact O-N 3.09Å; E602-T604 HydrophobicContact CG-CG2 4.25Å
603	V	88.7	Confident	84.9	Confident	57 Å²	57	63.8 Å²	63.8	35%	0.345	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	118.8	-178.6	-171.7	0	0	0	0	109.3	Q570 T571 F572 P593	Q570-V603 HydrophobicContact CG-CG1 3.6Å; T571-V603 WeakPolarHBondContact O-CA 3.32Å; F572-V603 HydrophobicContact CD1-CG1 4.37Å; F572-V603 HydrophobicContact CD1-CG2 3.91Å; F572-V603 HydrophobicContact CE1-CG1 4.09Å; F572-V603 HydrophobicContact CE1-CG2 3.97Å; P593-V603 HydrophobicContact CG-CG2 3.38Å
604	T	88.8	Confident	84.9	Confident	31 Å²	31	62.8 Å²	62.8	19%	0.19	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	168.4	178.9	61	0	0	0	0	110.6	T571 E602 E606	T571-T604 PolarHBondContact N-O 3.07Å; T571-T604 PolarHBondContact O-N 3.3Å; E602-T604 HydrophobicContact CG-CG2 4.25Å; T604-E606 PolarHBondContact OG1-OE1 2.7Å
605	F	88.6	Confident	84.7	Confident	69 Å²	69	62.8 Å²	62.8	30%	0.303	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	114	168.3	-79	-93.6	0	0	0	109.2	K568 Q570 L645 W646 N647	K568-F605 HydrophobicContact CB-CB 4.15Å; Q570-F605 HydrophobicContact CB-CE1 4.12Å; Q570-F605 HydrophobicContact CB-CZ 4.32Å; Q570-F605 HydrophobicContact CG-CZ 4.47Å; F605-L645 HydrophobicContact CB-CD2 3.89Å; F605-L645 HydrophobicContact CD1-CB 3.96Å; F605-L645 HydrophobicContact CD1-CD2 4.3Å; F605-L645 HydrophobicContact CE1-CB 4.15Å; F605-L645 HydrophobicContact CG-CB 4.48Å; F605-L645 HydrophobicContact CG-CD2 4.2Å; F605-W646 WeakPolarHBondContact CE1-O 3.4Å; F605-N647 HydrophobicContact CE1-CB 4.42Å; F605-N647 HydrophobicContact CZ-CB 4.34Å
606	E	87.4	Confident	84.6	Confident	32 Å²	32	64.7 Å²	64.7	15%	0.15	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	158.3	-174.4	-63	-174	-151.4	0	0	111.5	K568 G569 K573 Y580 T604 M608 K612 N614	K568-E606 CarbonylContact C-O 3.41Å; K568-E606 WeakPolarHBondContact CA-O 3.26Å; G569-E606 PolarHBondContact N-O 3.32Å; G569-E606 PolarHBondContact O-N 3.16Å; G569-E606 VanDerWaalsContact O-N 3.14Å; K573-E606 WeakPolarHBondContact CE-OE1 3.45Å; K573-E606 IonicContact NZ-OE1 2.74Å; K573-E606 PolarHBondContact NZ-OE1 3.3Å; K573-E606 IonicContact NZ-OE2 2.61Å; Y580-E606 PolarHBondContact OH-OE2 2.98Å; T604-E606 PolarHBondContact OG1-OE1 2.7Å; E606-M608 PolarHBondContact O-N 3.18Å; E606-K612 HydrophobicContact CB-CD 4.14Å; E606-K612 WeakPolarHBondContact OE2-CE 3.23Å; E606-K612 IonicContact OE2-NZ 2.88Å; E606-K612 PolarHBondContact OE2-NZ 3.15Å; E606-N614 PolarHBondContact O-ND2 3.41Å
607	K	85.8	Confident	84.7	Confident	87 Å²	87	60.3 Å²	60.3	38%	0.378	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-45.6	129.5	174.3	-176.7	176.9	174	175.4	0	109.5	E530 L566 S609 N614	E530-K607 IonicContact OE1-NZ 2.95Å; E530-K607 PolarHBondContact OE1-NZ 3.02Å; L566-K607 HydrophobicContact CD1-CB 4.09Å; L566-K607 HydrophobicContact CD1-CD 4.07Å; L566-K607 HydrophobicContact CD1-CG 4.14Å; L566-K607 HydrophobicContact CD2-CD 4.04Å; L566-K607 HydrophobicContact CD2-CG 4.29Å; K607-S609 PolarHBondContact O-N 3.32Å; K607-N614 PolarHBondContact O-ND2 3.05Å
608	M	85.9	Confident	84.9	Confident	3 Å²	3	55 Å²	55	2%	0.015	30%	0.298	C	S	.	.			trans	-60.6	127.3	176.3	-73.4	-176.1	174.6	0	0	110.5	M100 I567 E606 N614 L616 W646	M100-M608 HydrophobicContact CB-SD 3.99Å; I567-M608 HydrophobicContact CB-SD 4.45Å; I567-M608 HydrophobicContact CG2-CE 3.62Å; I567-M608 HydrophobicContact CG2-CG 4.5Å; I567-M608 HydrophobicContact CG2-SD 3.78Å; I567-M608 PolarHBondContact O-N 3.31Å; E606-M608 PolarHBondContact O-N 3.18Å; M608-N614 VanDerWaalsContact CA-OD1 3.3Å; M608-N614 WeakPolarHBondContact CA-OD1 3.45Å; M608-L616 HydrophobicContact CE-CB 4.42Å; M608-L616 HydrophobicContact CE-CD1 3.76Å; M608-L616 HydrophobicContact CE-CG 3.9Å; M608-W646 HydrophobicContact CE-CB 3.74Å; M608-W646 HydrophobicContact CE-CG 3.97Å
609	S	79.9	Confident	85.3	Confident	29 Å²	29	55.5 Å²	55.5	20%	0.203	29%	0.285	C	S	.	.			trans	-154.1	156.3	172.9	74.1	0	0	0	0	111.2	K607 S611 K612 N614	K607-S609 PolarHBondContact O-N 3.32Å; S609-S611 VanDerWaalsContact C-N 3.3Å; S609-S611 PolarHBondContact O-N 2.94Å; S609-S611 PolarHBondContact OG-OG 2.89Å; S609-K612 PolarHBondContact O-N 3.2Å; S609-K612 WeakPolarHBondContact OG-CG 3.15Å; S609-K612 PolarHBondContact OG-N 3.43Å; S609-N614 PolarHBondContact N-OD1 3.1Å; S609-N614 PolarHBondContact O-OD1 3.17Å; S609-N614 VanDerWaalsContact O-OD1 3.14Å
610	K	75.5	Confident	85.3	Confident	107 Å²	107	60.5 Å²	60.5	47%	0.465	30%	0.301	S	S	.	.	G	3₁₀ helix	trans	-60.5	-40.4	177.2	-66.8	174.6	-176.3	151.7	0	112	S95 K612 H613	S95-K610 PolarHBondContact O-NZ 2.81Å; K610-K612 PolarHBondContact O-N 3.22Å; K610-H613 PolarHBondContact O-N 2.81Å; K610-H613 PolarHBondContact O-ND1 3Å
611	S	76.9	Confident	85.2	Confident	85 Å²	85	51.5 Å²	51.5	59%	0.594	27%	0.269	S	S	*	.	G	3₁₀ helix	trans	-64.9	-21.2	-179.8	53.5	0	0	0	0	114.4	S609	S609-S611 VanDerWaalsContact C-N 3.3Å; S609-S611 PolarHBondContact O-N 2.94Å; S609-S611 PolarHBondContact OG-OG 2.89Å
612	K	83.3	Confident	85	Confident	40 Å²	40	52 Å²	52	17%	0.174	27%	0.272	C	S	.	.	G	3₁₀ helix	trans	-99.5	-2.2	-179.2	-64.9	-177.5	-175.8	-164.2	0	113.4	T571 Y580 E606 S609 K610 N614	T571-K612 HydrophobicContact CG2-CB 4.23Å; Y580-K612 HydrophobicContact CD1-CB 4.03Å; Y580-K612 HydrophobicContact CD1-CG 3.97Å; Y580-K612 HydrophobicContact CD2-CG 4.49Å; Y580-K612 HydrophobicContact CE1-CB 4.05Å; Y580-K612 HydrophobicContact CE1-CD 3.96Å; Y580-K612 HydrophobicContact CE1-CG 3.54Å; Y580-K612 HydrophobicContact CE2-CG 4.16Å; Y580-K612 HydrophobicContact CG-CG 4.42Å; E606-K612 HydrophobicContact CB-CD 4.14Å; E606-K612 WeakPolarHBondContact OE2-CE 3.23Å; E606-K612 IonicContact OE2-NZ 2.88Å; E606-K612 PolarHBondContact OE2-NZ 3.15Å; S609-K612 PolarHBondContact O-N 3.2Å; S609-K612 WeakPolarHBondContact OG-CG 3.15Å; S609-K612 PolarHBondContact OG-N 3.43Å; K610-K612 PolarHBondContact O-N 3.22Å; K612-N614 HydrophobicContact CB-CB 4.4Å; K612-N614 PolarHBondContact O-N 3.35Å
613	H	83.9	Confident	84.8	Confident	94 Å²	94	54 Å²	54	44%	0.435	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.9	29.1	-178	-52.3	-52.1	0	0	0	114	K582 K610	K582-H613 HydrophobicContact CG-CB 4.18Å; K610-H613 PolarHBondContact O-N 2.81Å; K610-H613 PolarHBondContact O-ND1 3Å
614	N	84.8	Confident	84.4	Confident	10 Å²	10	56.9 Å²	56.9	5%	0.053	29%	0.291	C	S	.	.			trans	-118.6	3.9	-174.7	70.7	-10.8	0	0	0	113.1	Q570 T571 E606 K607 M608 S609 K612	Q570-N614 WeakPolarHBondContact O-CB 3.47Å; T571-N614 PolarHBondContact OG1-ND2 3.47Å; E606-N614 PolarHBondContact O-ND2 3.41Å; K607-N614 PolarHBondContact O-ND2 3.05Å; M608-N614 VanDerWaalsContact CA-OD1 3.3Å; M608-N614 WeakPolarHBondContact CA-OD1 3.45Å; S609-N614 PolarHBondContact N-OD1 3.1Å; S609-N614 PolarHBondContact O-OD1 3.17Å; S609-N614 VanDerWaalsContact O-OD1 3.14Å; K612-N614 HydrophobicContact CB-CB 4.4Å; K612-N614 PolarHBondContact O-N 3.35Å
615	G	82.6	Confident	84	Confident	38 Å²	38	57 Å²	57	39%	0.392	29%	0.288	S	S	.	.	P	Polyproline II helix	trans	-77.1	137.2	177.3	0	0	0	0	0	111.3
616	L	84.3	Confident	83.7	Confident	50 Å²	50	53.8 Å²	53.8	26%	0.262	28%	0.275	S	S	.	.	P	Polyproline II helix	trans	-101.7	132.7	174.3	-63	174.9	0	0	0	110	H99 M100 M608 P618 V621 W646	H99-L616 WeakPolarHBondContact CA-O 3.33Å; M100-L616 HydrophobicContact CG-CB 3.95Å; M100-L616 PolarHBondContact N-O 2.96Å; M608-L616 HydrophobicContact CE-CB 4.42Å; M608-L616 HydrophobicContact CE-CD1 3.76Å; M608-L616 HydrophobicContact CE-CG 3.9Å; L616-P618 WeakPolarHBondContact O-CD 3.44Å; L616-V621 HydrophobicContact CB-CG2 4.34Å; L616-W646 HydrophobicContact CD1-CD2 3.91Å; L616-W646 HydrophobicContact CD1-CG 3.69Å; L616-W646 HydrophobicContact CD1-CZ2 4.34Å
617	D	86.6	Confident	83.8	Confident	28 Å²	28	53 Å²	53	15%	0.15	27%	0.271	C	S	.	.	P	Polyproline II helix	trans	-71	120.3	173.5	-167.5	-39.2	0	0	0	109.2	R97 Q161 Q619 E620 V621	R97-D617 IonicContact CZ-OD2 3.87Å; R97-D617 VanDerWaalsContact CZ-OD2 3.26Å; R97-D617 IonicContact NE-OD2 2.84Å; R97-D617 PolarHBondContact NE-OD2 3.15Å; R97-D617 IonicContact NH2-OD1 2.69Å; R97-D617 IonicContact NH2-OD2 2.78Å; R97-D617 PolarHBondContact NH2-OD2 3.01Å; Q161-D617 PolarHBondContact NE2-OD1 2.86Å; D617-Q619 PolarHBondContact O-N 3.12Å; D617-Q619 WeakPolarHBondContact OD1-CB 3.37Å; D617-Q619 PolarHBondContact OD1-N 3.48Å; D617-E620 HydrophobicContact CB-CB 4.48Å; D617-E620 HydrophobicContact CB-CG 4.06Å; D617-E620 PolarHBondContact O-N 3.25Å; D617-V621 PolarHBondContact O-N 2.82Å
618	P	88.8	Confident	83.8	Confident	1 Å²	1	52.5 Å²	52.5	1%	0.006	27%	0.273	C	S	.	.	H	α-helix	trans	-55	-33.8	178.6	-28.4	38.5	0	0	0	113.9	L98 M100 V103 L165 L616 V621 V622	L98-P618 HydrophobicContact CB-CG 4.18Å; L98-P618 VanDerWaalsContact O-CD 3.28Å; L98-P618 WeakPolarHBondContact O-CD 3.26Å; M100-P618 HydrophobicContact SD-CB 4.08Å; M100-P618 HydrophobicContact SD-CG 4.17Å; V103-P618 HydrophobicContact CG2-CB 3.61Å; V103-P618 HydrophobicContact CG2-CG 3.4Å; L165-P618 HydrophobicContact CD1-CB 4.4Å; L165-P618 HydrophobicContact CD2-CB 4.21Å; L616-P618 WeakPolarHBondContact O-CD 3.44Å; P618-V621 PolarHBondContact O-N 3.33Å; P618-V622 WeakPolarHBondContact O-CB 3.43Å; P618-V622 VanDerWaalsContact O-CG2 3.28Å; P618-V622 WeakPolarHBondContact O-CG2 3.4Å; P618-V622 PolarHBondContact O-N 2.99Å
619	Q	87.5	Confident	83.8	Confident	69 Å²	69	52.5 Å²	52.5	32%	0.322	27%	0.273	S	S	.	.	H	α-helix	trans	-66.8	-39.5	-177.8	-69.1	-177.8	-26.2	0	0	111.5	Q161 D617 V621 V622 Q623	Q161-Q619 HydrophobicContact CG-CG 4.27Å; D617-Q619 PolarHBondContact O-N 3.12Å; D617-Q619 WeakPolarHBondContact OD1-CB 3.37Å; D617-Q619 PolarHBondContact OD1-N 3.48Å; Q619-V621 VanDerWaalsContact C-N 3.35Å; Q619-V622 PolarHBondContact O-N 2.9Å; Q619-Q623 VanDerWaalsContact O-CB 3.26Å; Q619-Q623 WeakPolarHBondContact O-CB 3.42Å; Q619-Q623 PolarHBondContact O-N 3.24Å
620	E	86.1	Confident	84.2	Confident	127 Å²	127	51.1 Å²	51.1	59%	0.593	26%	0.264	S	S	*	.	H	α-helix	trans	-63.7	-42.8	176.3	-66.4	179.2	176.4	0	0	111.1	D617 Q623 Q624	D617-E620 HydrophobicContact CB-CB 4.48Å; D617-E620 HydrophobicContact CB-CG 4.06Å; D617-E620 PolarHBondContact O-N 3.25Å; E620-Q623 PolarHBondContact O-N 3.34Å; E620-Q624 WeakPolarHBondContact O-CB 3.45Å; E620-Q624 PolarHBondContact O-N 2.8Å; E620-Q624 VanDerWaalsContact O-N 3.08Å
621	V	85.8	Confident	84.9	Confident	11 Å²	11	47.6 Å²	47.6	7%	0.067	25%	0.247	C	C	.	.	H	α-helix	trans	-66.5	-43.7	179.1	-172.7	0	0	0	0	110.9	M100 L616 D617 P618 Q619 Q624 Y625 V630 W646	M100-V621 HydrophobicContact CG-CG2 4.45Å; M100-V621 HydrophobicContact SD-CB 4.35Å; M100-V621 HydrophobicContact SD-CG2 4.15Å; L616-V621 HydrophobicContact CB-CG2 4.34Å; D617-V621 PolarHBondContact O-N 2.82Å; P618-V621 PolarHBondContact O-N 3.33Å; Q619-V621 VanDerWaalsContact C-N 3.35Å; V621-Q624 PolarHBondContact O-N 3.47Å; V621-Y625 HydrophobicContact CG1-CD2 3.91Å; V621-Y625 HydrophobicContact CG1-CE2 4.41Å; V621-Y625 WeakPolarHBondContact O-CD2 3.3Å; V621-Y625 PolarHBondContact O-N 3.19Å; V621-V630 HydrophobicContact CG1-CG1 4.33Å; V621-V630 HydrophobicContact CG1-CG2 3.68Å; V621-W646 HydrophobicContact CG1-CH2 4.07Å; V621-W646 HydrophobicContact CG1-CZ2 3.84Å; V621-W646 HydrophobicContact CG2-CZ2 4.45Å
622	V	85.7	Confident	85.5	Confident	24 Å²	24	46.8 Å²	46.8	15%	0.145	24%	0.236	C	C	.	.	H	α-helix	trans	-64.6	-42.7	176.5	169.5	0	0	0	0	111.1	L165 P618 Q619 Q624 Y625 G626 L627 V630	L165-V622 HydrophobicContact CD2-CG2 3.78Å; P618-V622 WeakPolarHBondContact O-CB 3.43Å; P618-V622 VanDerWaalsContact O-CG2 3.28Å; P618-V622 WeakPolarHBondContact O-CG2 3.4Å; P618-V622 PolarHBondContact O-N 2.99Å; Q619-V622 PolarHBondContact O-N 2.9Å; V622-Q624 PolarHBondContact O-N 2.84Å; V622-Y625 PolarHBondContact O-N 3.5Å; V622-G626 WeakPolarHBondContact O-CA 3.26Å; V622-G626 PolarHBondContact O-N 2.75Å; V622-L627 HydrophobicContact CG1-CB 4.17Å; V622-L627 HydrophobicContact CG1-CD1 4.48Å; V622-L627 HydrophobicContact CG2-CD1 4.11Å; V622-V630 HydrophobicContact CG2-CB 4.47Å; V622-V630 HydrophobicContact CG2-CG2 4.31Å
623	Q	84.3	Confident	85.7	Confident	143 Å²	143	45.6 Å²	45.6	67%	0.668	23%	0.23	S	C	*	.	H	α-helix	trans	-59.8	-36.4	177.2	-174	178.3	20	0	0	111.7	Q619 E620	Q619-Q623 VanDerWaalsContact O-CB 3.26Å; Q619-Q623 WeakPolarHBondContact O-CB 3.42Å; Q619-Q623 PolarHBondContact O-N 3.24Å; E620-Q623 PolarHBondContact O-N 3.34Å
624	Q	81.1	Confident	85.9	Confident	117 Å²	117	41.3 Å²	41.3	55%	0.547	21%	0.21	S	C	.	.	H	α-helix	trans	-77.6	-41.1	-179.2	-172.4	175.2	1.5	0	0	113.3	E620 V621 V622	E620-Q624 WeakPolarHBondContact O-CB 3.45Å; E620-Q624 PolarHBondContact O-N 2.8Å; E620-Q624 VanDerWaalsContact O-N 3.08Å; V621-Q624 PolarHBondContact O-N 3.47Å; V622-Q624 PolarHBondContact O-N 2.84Å
625	Y	79.4	Confident	86.2	Confident	33 Å²	33	44.2 Å²	44.2	13%	0.129	23%	0.226	C	C	.	.	H	α-helix	trans	-115.5	-15.6	-167	-61.5	-69.9	0	0	0	115.2	V621 V622 T629 Y655	V621-Y625 HydrophobicContact CG1-CD2 3.91Å; V621-Y625 HydrophobicContact CG1-CE2 4.41Å; V621-Y625 WeakPolarHBondContact O-CD2 3.3Å; V621-Y625 PolarHBondContact O-N 3.19Å; V622-Y625 PolarHBondContact O-N 3.5Å; Y625-T629 VanDerWaalsContact O-CB 3.26Å; Y625-T629 WeakPolarHBondContact O-CB 3.31Å; Y625-T629 PolarHBondContact O-OG1 3.13Å; Y625-Y655 HydrophobicContact CD1-CD1 4.47Å; Y625-Y655 AromaticContact CD1-CD2 3.83Å; Y625-Y655 HydrophobicContact CD1-CD2 3.83Å; Y625-Y655 HydrophobicContact CD1-CE2 4.35Å; Y625-Y655 AromaticContact CD1-CG 3.9Å; Y625-Y655 HydrophobicContact CD1-CG 3.9Å; Y625-Y655 HydrophobicContact CD2-CD2 4.41Å; Y625-Y655 HydrophobicContact CD2-CE2 4.12Å; Y625-Y655 AromaticContact CE1-CD2 3.69Å; Y625-Y655 HydrophobicContact CE1-CD2 3.69Å; Y625-Y655 HydrophobicContact CE1-CE2 4.25Å; Y625-Y655 HydrophobicContact CE1-CG 4.16Å; Y625-Y655 HydrophobicContact CE2-CD2 4.3Å; Y625-Y655 HydrophobicContact CE2-CE2 4.02Å; Y625-Y655 HydrophobicContact CG-CD1 4.47Å; Y625-Y655 HydrophobicContact CG-CD2 4.18Å; Y625-Y655 HydrophobicContact CG-CE2 4.28Å; Y625-Y655 HydrophobicContact CG-CG 4.29Å; Y625-Y655 AromaticContact CZ-CD2 3.93Å
626	G	82.9	Confident	86.6	Confident	2 Å²	2	50.1 Å²	50.1	2%	0.021	24%	0.237	C	C	.	.			trans	88.7	149.5	-171.7	0	0	0	0	0	112.5	V622 T629 V630	V622-G626 WeakPolarHBondContact O-CA 3.26Å; V622-G626 PolarHBondContact O-N 2.75Å; G626-T629 PolarHBondContact O-N 2.96Å; G626-V630 WeakPolarHBondContact O-CG2 3.46Å; G626-V630 PolarHBondContact O-N 3.25Å
627	L	88.2	Confident	86.7	Confident	14 Å²	14	49.6 Å²	49.6	7%	0.073	24%	0.24	C	C	.	.	H	α-helix	trans	-62	-52.3	-171.5	176.7	60	0	0	0	112.9	E60 L165 V622 T629 V630 R631	E60-L627 VanDerWaalsContact CD-N 3.33Å; E60-L627 HydrophobicContact CG-CB 4.34Å; E60-L627 PolarHBondContact OE1-N 2.89Å; E60-L627 WeakPolarHBondContact OE2-CB 3.38Å; E60-L627 PolarHBondContact OE2-N 3.28Å; E60-L627 VanDerWaalsContact OE2-N 3.1Å; L165-L627 HydrophobicContact CB-CD1 4.3Å; L165-L627 HydrophobicContact CD2-CD1 4.07Å; L165-L627 VanDerWaalsContact O-CD1 3.3Å; L165-L627 WeakPolarHBondContact O-CD1 3.37Å; L165-L627 WeakPolarHBondContact O-CD2 3.11Å; V622-L627 HydrophobicContact CG1-CB 4.17Å; V622-L627 HydrophobicContact CG1-CD1 4.48Å; V622-L627 HydrophobicContact CG2-CD1 4.11Å; L627-T629 PolarHBondContact O-N 3.41Å; L627-V630 PolarHBondContact O-N 3.02Å; L627-R631 HydrophobicContact CD1-CG 4.23Å; L627-R631 WeakPolarHBondContact O-CG 3.36Å; L627-R631 PolarHBondContact O-N 3.09Å
628	D	87.1	Confident	86.8	Confident	78 Å²	78	49 Å²	49	42%	0.417	24%	0.239	S	C	.	.	H	α-helix	trans	-65.6	-32.4	-176.1	-79.6	-17.5	0	0	0	111.4	E60 R631 L632	E60-D628 PolarHBondContact OE1-N 3.22Å; D628-R631 PolarHBondContact O-N 3.22Å; D628-L632 WeakPolarHBondContact O-CB 3.26Å; D628-L632 PolarHBondContact O-N 3.09Å
629	T	85.6	Confident	87	Confident	2 Å²	2	51.8 Å²	51.8	1%	0.012	26%	0.257	C	S	.	.	H	α-helix	trans	-66.1	-43.5	178	-63.6	0	0	0	0	111	R56 Y625 G626 L627 Y633 Y655	R56-T629 PolarHBondContact NH1-OG1 3.06Å; Y625-T629 VanDerWaalsContact O-CB 3.26Å; Y625-T629 WeakPolarHBondContact O-CB 3.31Å; Y625-T629 PolarHBondContact O-OG1 3.13Å; G626-T629 PolarHBondContact O-N 2.96Å; L627-T629 PolarHBondContact O-N 3.41Å; T629-Y633 WeakPolarHBondContact O-CB 3.49Å; T629-Y633 PolarHBondContact O-N 3.23Å; T629-Y655 HydrophobicContact CG2-CD1 3.34Å; T629-Y655 HydrophobicContact CG2-CE1 3.93Å; T629-Y655 HydrophobicContact CG2-CG 4.27Å
630	V	87.5	Confident	87.2	Confident	1 Å²	1	50.8 Å²	50.8	1%	0.006	26%	0.257	C	S	.	.	H	α-helix	trans	-65.1	-45.5	176.2	172.4	0	0	0	0	111.3	M100 V621 V622 G626 L627 Y633 I634	M100-V630 HydrophobicContact CE-CG1 3.56Å; V621-V630 HydrophobicContact CG1-CG1 4.33Å; V621-V630 HydrophobicContact CG1-CG2 3.68Å; V622-V630 HydrophobicContact CG2-CB 4.47Å; V622-V630 HydrophobicContact CG2-CG2 4.31Å; G626-V630 WeakPolarHBondContact O-CG2 3.46Å; G626-V630 PolarHBondContact O-N 3.25Å; L627-V630 PolarHBondContact O-N 3.02Å; V630-Y633 PolarHBondContact O-N 3.4Å; V630-I634 HydrophobicContact CG1-CD1 4.14Å; V630-I634 WeakPolarHBondContact O-CG1 3.35Å; V630-I634 PolarHBondContact O-N 3.29Å
631	R	90.4	Very high	87.5	Confident	33 Å²	33	50.2 Å²	50.2	13%	0.125	25%	0.254	C	S	.	.	H	α-helix	trans	-64.8	-44.6	179.6	-69.8	175.3	59.5	152.7	-3.9	112	T107 D110 L165 G166 L627 D628 Y633 I634 L635	T107-R631 HydrophobicContact CG2-CB 3.82Å; T107-R631 HydrophobicContact CG2-CG 4.01Å; D110-R631 IonicContact OD2-CZ 3.21Å; D110-R631 IonicContact OD2-NH1 2.79Å; D110-R631 IonicContact OD2-NH2 2.67Å; D110-R631 PolarHBondContact OD2-NH2 2.61Å; L165-R631 PolarHBondContact O-NH1 2.76Å; L165-R631 VanDerWaalsContact O-NH1 3.15Å; G166-R631 PolarHBondContact O-NH1 2.81Å; L627-R631 HydrophobicContact CD1-CG 4.23Å; L627-R631 WeakPolarHBondContact O-CG 3.36Å; L627-R631 PolarHBondContact O-N 3.09Å; D628-R631 PolarHBondContact O-N 3.22Å; R631-Y633 VanDerWaalsContact C-N 3.32Å; R631-Y633 PolarHBondContact O-N 2.87Å; R631-I634 WeakPolarHBondContact O-CB 3.18Å; R631-I634 PolarHBondContact O-N 3.34Å; R631-L635 WeakPolarHBondContact O-CG 3.19Å; R631-L635 PolarHBondContact O-N 3.09Å
632	L	88.9	Confident	87.8	Confident	67 Å²	67	55.2 Å²	55.2	35%	0.351	28%	0.277	S	S	.	.	H	α-helix	trans	-62.2	-41.9	175.8	-179.7	60.9	0	0	0	111.2	D628 I634 L635 Y636 M658	D628-L632 WeakPolarHBondContact O-CB 3.26Å; D628-L632 PolarHBondContact O-N 3.09Å; L632-I634 PolarHBondContact O-N 3.24Å; L632-L635 PolarHBondContact O-N 3.46Å; L632-Y636 WeakPolarHBondContact O-CB 3.39Å; L632-Y636 PolarHBondContact O-N 3.1Å; L632-M658 HydrophobicContact CD2-CB 4.14Å; L632-M658 HydrophobicContact CD2-CG 3.97Å; L632-M658 HydrophobicContact CD2-SD 4.29Å; L632-M658 HydrophobicContact CG-CG 4.43Å; L632-M658 HydrophobicContact CG-SD 4.15Å
633	Y	87.5	Confident	88.1	Confident	16 Å²	16	57.2 Å²	57.2	6%	0.063	29%	0.286	C	S	.	.	H	α-helix	trans	-59.4	-48.2	176.2	173.6	-95.8	0	0	0	111.8	T629 V630 R631 L635 Y636 A637 I644 W646 E651 C654 Y655 M658	T629-Y633 WeakPolarHBondContact O-CB 3.49Å; T629-Y633 PolarHBondContact O-N 3.23Å; V630-Y633 PolarHBondContact O-N 3.4Å; R631-Y633 VanDerWaalsContact C-N 3.32Å; R631-Y633 PolarHBondContact O-N 2.87Å; Y633-L635 PolarHBondContact O-N 3.41Å; Y633-Y636 PolarHBondContact O-N 3.17Å; Y633-Y636 VanDerWaalsContact O-N 3.12Å; Y633-A637 HydrophobicContact CD1-CB 4.46Å; Y633-A637 HydrophobicContact CD2-CB 4.39Å; Y633-A637 HydrophobicContact CE1-CB 4.05Å; Y633-A637 HydrophobicContact CE2-CB 3.98Å; Y633-A637 WeakPolarHBondContact O-CB 3.32Å; Y633-A637 PolarHBondContact O-N 2.79Å; Y633-I644 HydrophobicContact CE1-CG2 4.49Å; Y633-W646 AromaticContact CD1-CH2 4Å; Y633-W646 HydrophobicContact CD1-CH2 4Å; Y633-W646 AromaticContact CD1-CZ3 3.83Å; Y633-W646 HydrophobicContact CD1-CZ3 3.83Å; Y633-W646 AromaticContact CE1-CE3 3.94Å; Y633-W646 HydrophobicContact CE1-CE3 3.94Å; Y633-W646 AromaticContact CE1-CH2 3.96Å; Y633-W646 HydrophobicContact CE1-CH2 3.96Å; Y633-W646 AromaticContact CE1-CZ3 3.53Å; Y633-W646 HydrophobicContact CE1-CZ3 3.53Å; Y633-E651 HydrophobicContact CE2-CG 4.06Å; Y633-E651 PolarHBondContact OH-OE1 3.14Å; Y633-C654 HydrophobicContact CD2-CB 4.42Å; Y633-C654 HydrophobicContact CE2-CB 4.35Å; Y633-Y655 VanDerWaalsContact CB-CE1 3.47Å; Y633-Y655 HydrophobicContact CD1-CE1 4.33Å; Y633-Y655 WeakPolarHBondContact CD1-OH 3.08Å; Y633-Y655 HydrophobicContact CD2-CE1 4.12Å; Y633-Y655 AromaticContact CG-CE1 3.71Å; Y633-Y655 HydrophobicContact CG-CE1 3.71Å; Y633-Y655 AromaticContact CG-CZ 3.8Å; Y633-M658 HydrophobicContact CD2-CE 4.23Å; Y633-M658 HydrophobicContact CD2-SD 4.47Å
634	I	89.7	Confident	88.3	Confident	3 Å²	3	50.7 Å²	50.7	2%	0.015	26%	0.256	C	S	.	.	H	α-helix	trans	-53.1	-43	176.9	-78.6	165.1	0	0	0	111.8	M100 V103 R104 T107 V630 R631 L632	M100-I634 HydrophobicContact CE-CD1 3.65Å; M100-I634 HydrophobicContact CE-CG1 4.26Å; V103-I634 HydrophobicContact CB-CD1 3.99Å; V103-I634 HydrophobicContact CG1-CD1 3.48Å; V103-I634 VanDerWaalsContact CG1-CD1 3.48Å; R104-I634 HydrophobicContact CB-CG2 4.08Å; R104-I634 HydrophobicContact CG-CG2 3.91Å; T107-I634 HydrophobicContact CG2-CG2 4.4Å; V630-I634 HydrophobicContact CG1-CD1 4.14Å; V630-I634 WeakPolarHBondContact O-CG1 3.35Å; V630-I634 PolarHBondContact O-N 3.29Å; R631-I634 WeakPolarHBondContact O-CB 3.18Å; R631-I634 PolarHBondContact O-N 3.34Å; L632-I634 PolarHBondContact O-N 3.24Å
635	L	91	Very high	88.6	Confident	71 Å²	71	49.7 Å²	49.7	37%	0.372	25%	0.254	S	S	.	.	H	α-helix	trans	-79	-25.2	-177.4	-63.4	171.7	0	0	0	113	T107 I108 T111 R631 L632 Y633	T107-L635 HydrophobicContact CG2-CD1 4.05Å; T107-L635 HydrophobicContact CG2-CD2 4.16Å; T107-L635 HydrophobicContact CG2-CG 3.97Å; I108-L635 HydrophobicContact CG1-CD2 3.97Å; T111-L635 HydrophobicContact CG2-CD1 4.19Å; T111-L635 WeakPolarHBondContact OG1-CD1 3.41Å; R631-L635 WeakPolarHBondContact O-CG 3.19Å; R631-L635 PolarHBondContact O-N 3.09Å; L632-L635 PolarHBondContact O-N 3.46Å; Y633-L635 PolarHBondContact O-N 3.41Å
636	Y	89.8	Confident	88.8	Confident	163 Å²	163	48.6 Å²	48.6	64%	0.639	25%	0.25	S	C	*	.	H	α-helix	trans	-93.3	-32.6	-177.1	179.2	-93.5	0	0	0	113.4	L632 Y633 A638 M658	L632-Y636 WeakPolarHBondContact O-CB 3.39Å; L632-Y636 PolarHBondContact O-N 3.1Å; Y633-Y636 PolarHBondContact O-N 3.17Å; Y633-Y636 VanDerWaalsContact O-N 3.12Å; Y636-A638 VanDerWaalsContact C-N 3.28Å; Y636-A638 PolarHBondContact O-N 2.84Å; Y636-M658 HydrophobicContact CD1-CE 3.23Å; Y636-M658 HydrophobicContact CE1-CE 4.05Å; Y636-M658 HydrophobicContact CG-CE 3.53Å
637	A	87.1	Confident	88.4	Confident	39 Å²	39	51 Å²	51	32%	0.322	26%	0.262	S	S	.	.	S	Bend	trans	-59.9	-36.8	-168.4	0	0	0	0	0	113.1	Y633 I644	Y633-A637 HydrophobicContact CD1-CB 4.46Å; Y633-A637 HydrophobicContact CD2-CB 4.39Å; Y633-A637 HydrophobicContact CE1-CB 4.05Å; Y633-A637 HydrophobicContact CE2-CB 3.98Å; Y633-A637 WeakPolarHBondContact O-CB 3.32Å; Y633-A637 PolarHBondContact O-N 2.79Å; A637-I644 HydrophobicContact CB-CD1 3.98Å; A637-I644 HydrophobicContact CB-CG1 4.12Å; A637-I644 HydrophobicContact CB-CG2 4.19Å
638	A	89.1	Confident	86.9	Confident	14 Å²	14	53.9 Å²	53.9	12%	0.116	28%	0.28	C	S	.	.	S	Bend	trans	-157.3	158.7	175.1	0	0	0	0	0	110.3	Y636 Q642 I644	Y636-A638 VanDerWaalsContact C-N 3.28Å; Y636-A638 PolarHBondContact O-N 2.84Å; A638-Q642 HydrophobicContact CB-CB 4.08Å; A638-I644 HydrophobicContact CB-CG1 3.87Å
639	P	92.7	Very high	85.4	Confident	61 Å²	61	59.2 Å²	59.2	40%	0.396	30%	0.299	S	S	.	.			trans	-49.5	147.7	164.9	-25.5	34.5	0	0	0	111.6	R104 E641 Q642	R104-P639 PolarHBondContact NH2-O 3.26Å; P639-E641 PolarHBondContact O-N 3.04Å; P639-Q642 HydrophobicContact CB-CG 4.36Å; P639-Q642 HydrophobicContact CG-CG 4.4Å; P639-Q642 PolarHBondContact O-N 2.92Å
640	P	91.8	Very high	83.7	Confident	48 Å²	48	62.7 Å²	62.7	31%	0.312	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.6	-32.9	-175.8	-29.6	36.5	0	0	0	114.6	R104 I108 L562 Q564 G565	R104-P640 PolarHBondContact NH2-O 3.06Å; I108-P640 HydrophobicContact CD1-CB 4.19Å; L562-P640 HydrophobicContact CD1-CB 4.14Å; L562-P640 HydrophobicContact CD2-CB 4.15Å; L562-P640 HydrophobicContact CG-CB 4.48Å; Q564-P640 CarbonylContact C-O 3.57Å; Q564-P640 VanDerWaalsContact CA-O 3.28Å; Q564-P640 WeakPolarHBondContact CA-O 3.37Å; G565-P640 PolarHBondContact N-O 2.97Å
641	E	91.7	Very high	82.1	Confident	115 Å²	115	62.8 Å²	62.8	54%	0.537	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.6	-15.3	-176.8	-51.3	82.9	176.3	0	0	113.7	L562 G565 P639	L562-E641 HydrophobicContact CD1-CG 4.22Å; G565-E641 WeakPolarHBondContact CA-O 3.24Å; G565-E641 PolarHBondContact N-O 3.31Å; P639-E641 PolarHBondContact O-N 3.04Å
642	Q	92	Very high	80.4	Confident	116 Å²	116	63.9 Å²	63.9	54%	0.542	34%	0.337	S	S	.	.	S	Bend	trans	-94.9	148.2	-176.9	-70	-172.2	4.4	0	0	112.3	R104 A638 P639	R104-Q642 PolarHBondContact NH1-O 2.95Å; R104-Q642 PolarHBondContact NH2-O 2.59Å; A638-Q642 HydrophobicContact CB-CB 4.08Å; P639-Q642 HydrophobicContact CB-CG 4.36Å; P639-Q642 HydrophobicContact CG-CG 4.4Å; P639-Q642 PolarHBondContact O-N 2.92Å
643	D	91.4	Very high	78.6	Confident	65 Å²	65	62.8 Å²	62.8	35%	0.348	34%	0.342	S	S	.	.	P	Polyproline II helix	trans	-67.3	143.5	176.2	-66.5	-20.5	0	0	0	111.7	L566 K568	L566-D643 PolarHBondContact N-OD1 3.15Å; L566-D643 CarbonylContact O-C 3.55Å; L566-D643 VanDerWaalsContact O-CA 3.23Å; L566-D643 WeakPolarHBondContact O-CA 3.38Å; K568-D643 HydrophobicContact CD-CB 4.22Å; K568-D643 WeakPolarHBondContact CE-OD2 3.38Å; K568-D643 IonicContact NZ-OD2 2.76Å; K568-D643 PolarHBondContact NZ-OD2 3.07Å
644	I	89.6	Confident	77	Confident	6 Å²	6	64.2 Å²	64.2	3%	0.031	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	123.6	169.8	-64	167.8	0	0	0	107.8	L566 I567 K568 Y633 A637 A638	L566-I644 PolarHBondContact O-N 3.13Å; I567-I644 HydrophobicContact CD1-CD1 4.45Å; I567-I644 HydrophobicContact CG1-CB 4.35Å; I567-I644 HydrophobicContact CG1-CD1 4.48Å; K568-I644 PolarHBondContact N-O 3.2Å; Y633-I644 HydrophobicContact CE1-CG2 4.49Å; A637-I644 HydrophobicContact CB-CD1 3.98Å; A637-I644 HydrophobicContact CB-CG1 4.12Å; A637-I644 HydrophobicContact CB-CG2 4.19Å; A638-I644 HydrophobicContact CB-CG1 3.87Å
645	L	88.3	Confident	75.6	Confident	97 Å²	97	64.2 Å²	64.2	51%	0.508	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	108.5	171	-53.8	-174.5	0	0	0	108.5	K568 F605 N647	K568-L645 HydrophobicContact CB-CD2 3.9Å; K568-L645 HydrophobicContact CD-CD2 3.82Å; K568-L645 HydrophobicContact CG-CD2 4.4Å; F605-L645 HydrophobicContact CB-CD2 3.89Å; F605-L645 HydrophobicContact CD1-CB 3.96Å; F605-L645 HydrophobicContact CD1-CD2 4.3Å; F605-L645 HydrophobicContact CE1-CB 4.15Å; F605-L645 HydrophobicContact CG-CB 4.48Å; F605-L645 HydrophobicContact CG-CD2 4.2Å; L645-N647 PolarHBondContact O-N 3.06Å
646	W	82.8	Confident	73.8	Confident	10 Å²	10	64.5 Å²	64.5	4%	0.038	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	112.3	-176	-165.6	-69.2	0	0	0	111	M100 I567 K568 F605 M608 L616 V621 Y633 E651 Y655	M100-W646 HydrophobicContact CB-CZ3 4.47Å; M100-W646 HydrophobicContact CE-CH2 3.67Å; M100-W646 HydrophobicContact CE-CZ3 3.77Å; M100-W646 HydrophobicContact CG-CH2 4.37Å; M100-W646 HydrophobicContact CG-CZ3 4.32Å; I567-W646 HydrophobicContact CD1-CE3 4.43Å; I567-W646 HydrophobicContact CG2-CB 4.12Å; I567-W646 HydrophobicContact CG2-CE3 4.08Å; K568-W646 PolarHBondContact O-N 3.05Å; F605-W646 WeakPolarHBondContact CE1-O 3.4Å; M608-W646 HydrophobicContact CE-CB 3.74Å; M608-W646 HydrophobicContact CE-CG 3.97Å; L616-W646 HydrophobicContact CD1-CD2 3.91Å; L616-W646 HydrophobicContact CD1-CG 3.69Å; L616-W646 HydrophobicContact CD1-CZ2 4.34Å; V621-W646 HydrophobicContact CG1-CH2 4.07Å; V621-W646 HydrophobicContact CG1-CZ2 3.84Å; V621-W646 HydrophobicContact CG2-CZ2 4.45Å; Y633-W646 AromaticContact CD1-CH2 4Å; Y633-W646 HydrophobicContact CD1-CH2 4Å; Y633-W646 AromaticContact CD1-CZ3 3.83Å; Y633-W646 HydrophobicContact CD1-CZ3 3.83Å; Y633-W646 AromaticContact CE1-CE3 3.94Å; Y633-W646 HydrophobicContact CE1-CE3 3.94Å; Y633-W646 AromaticContact CE1-CH2 3.96Å; Y633-W646 HydrophobicContact CE1-CH2 3.96Å; Y633-W646 AromaticContact CE1-CZ3 3.53Å; Y633-W646 HydrophobicContact CE1-CZ3 3.53Å; W646-E651 WeakPolarHBondContact CA-OE1 3.2Å; W646-E651 VanDerWaalsContact CE2-OE2 3.27Å; W646-E651 PolarHBondContact NE1-OE2 3.41Å; W646-Y655 WeakPolarHBondContact CH2-OH 3.35Å; W646-Y655 WeakPolarHBondContact CZ2-OH 3.47Å
647	N	73.5	Confident	72.2	Confident	51 Å²	51	64 Å²	64	27%	0.273	36%	0.362	S	S	.	.			trans	-138.2	110.2	178.9	178.5	-0.6	0	0	0	111.7	F605 L645 K649 S650 E651	F605-N647 HydrophobicContact CE1-CB 4.42Å; F605-N647 HydrophobicContact CZ-CB 4.34Å; L645-N647 PolarHBondContact O-N 3.06Å; N647-K649 PolarHBondContact O-N 3.39Å; N647-K649 VanDerWaalsContact O-N 3.09Å; N647-K649 PolarHBondContact OD1-N 3.42Å; N647-S650 WeakPolarHBondContact CB-OG 3.22Å; N647-S650 PolarHBondContact O-N 3.15Å; N647-S650 PolarHBondContact O-OG 3.22Å; N647-E651 VanDerWaalsContact C-CD 3.43Å; N647-E651 PolarHBondContact N-OE1 3.14Å; N647-E651 WeakPolarHBondContact O-CB 3.42Å; N647-E651 WeakPolarHBondContact O-CG 3.15Å; N647-E651 PolarHBondContact O-N 3.15Å
648	V	58.5	Low	70.6	Confident	76 Å²	76	62.5 Å²	62.5	46%	0.461	35%	0.348	S	S	.	.	H	α-helix	trans	-53.9	-33.6	-178	-174.5	0	0	0	0	113.1	S652	V648-S652 PolarHBondContact O-OG 3.5Å
649	K	54.1	Low	69	Low	189 Å²	189	63.6 Å²	63.6	82%	0.822	35%	0.354	S	S	*	.	H	α-helix	trans	-73.8	-38.1	-176.7	-74.5	-173.5	179.2	180	0	113.7	N647 E651	N647-K649 PolarHBondContact O-N 3.39Å; N647-K649 VanDerWaalsContact O-N 3.09Å; N647-K649 PolarHBondContact OD1-N 3.42Å; K649-E651 VanDerWaalsContact C-N 3.34Å
650	S	51.3	Low	67.2	Low	75 Å²	75	71 Å²	71	52%	0.524	37%	0.374	S	S	.	.	H	α-helix	trans	-77.1	-25.4	175.7	39.6	0	0	0	0	112.4	N647	N647-S650 WeakPolarHBondContact CB-OG 3.22Å; N647-S650 PolarHBondContact O-N 3.15Å; N647-S650 PolarHBondContact O-OG 3.22Å
651	E	53.1	Low	65.2	Low	3 Å²	3	75.2 Å²	75.2	1%	0.014	39%	0.392	C	S	.	.	H	α-helix	trans	-77.3	-32.6	-171.9	-79.4	166.3	-161.5	0	0	114	Y633 W646 N647 K649 G653 C654 Y655	Y633-E651 HydrophobicContact CE2-CG 4.06Å; Y633-E651 PolarHBondContact OH-OE1 3.14Å; W646-E651 WeakPolarHBondContact CA-OE1 3.2Å; W646-E651 VanDerWaalsContact CE2-OE2 3.27Å; W646-E651 PolarHBondContact NE1-OE2 3.41Å; N647-E651 VanDerWaalsContact C-CD 3.43Å; N647-E651 PolarHBondContact N-OE1 3.14Å; N647-E651 WeakPolarHBondContact O-CB 3.42Å; N647-E651 WeakPolarHBondContact O-CG 3.15Å; N647-E651 PolarHBondContact O-N 3.15Å; K649-E651 VanDerWaalsContact C-N 3.34Å; E651-G653 PolarHBondContact O-N 3.48Å; E651-G653 VanDerWaalsContact O-N 3.07Å; E651-C654 PolarHBondContact O-N 2.79Å; E651-Y655 HydrophobicContact CB-CD2 3.84Å; E651-Y655 HydrophobicContact CB-CE2 3.66Å; E651-Y655 HydrophobicContact CG-CE2 4.24Å; E651-Y655 WeakPolarHBondContact O-CD2 3.42Å; E651-Y655 PolarHBondContact O-N 3.31Å
652	S	53.8	Low	62.8	Low	57 Å²	57	74.5 Å²	74.5	40%	0.399	39%	0.392	S	S	.	.	H	α-helix	trans	-50.7	-36.6	174	-47.7	0	0	0	0	112.2	V648 C656	V648-S652 PolarHBondContact O-OG 3.5Å; S652-C656 WeakPolarHBondContact O-CB 3.44Å; S652-C656 PolarHBondContact O-N 2.77Å; S652-C656 VanDerWaalsContact O-N 3.09Å; S652-C656 PolarHBondContact O-SG 2.87Å
653	G	52.9	Low	61.4	Low	44 Å²	44	72.4 Å²	72.4	45%	0.454	38%	0.384	S	S	.	.	H	α-helix	trans	-74.6	-32.1	176.9	0	0	0	0	0	114.6	E651 K657	E651-G653 PolarHBondContact O-N 3.48Å; E651-G653 VanDerWaalsContact O-N 3.07Å; G653-K657 PolarHBondContact O-N 2.95Å
654	C	53	Low	59.8	Low	45 Å²	45	72.8 Å²	72.8	30%	0.304	39%	0.386	S	S	.	.	H	α-helix	trans	-76.7	-45.3	175.7	-96.4	0	0	0	0	111.6	Y633 E651 C656 K657 M658	Y633-C654 HydrophobicContact CD2-CB 4.42Å; Y633-C654 HydrophobicContact CE2-CB 4.35Å; E651-C654 PolarHBondContact O-N 2.79Å; C654-C656 VanDerWaalsContact C-N 3.34Å; C654-C656 PolarHBondContact O-N 2.87Å; C654-K657 WeakPolarHBondContact O-CB 3.12Å; C654-K657 PolarHBondContact O-N 2.76Å; C654-M658 PolarHBondContact O-N 2.82Å
655	Y	59.3	Low	58.1	Low	4 Å²	4	76.5 Å²	76.5	2%	0.016	41%	0.406	C	S	.	.	H	α-helix	trans	-58.9	-46.8	174.6	-70.7	-56.2	0	0	0	110.5	Y625 T629 Y633 W646 E651 K657 M658 T659	Y625-Y655 HydrophobicContact CD1-CD1 4.47Å; Y625-Y655 AromaticContact CD1-CD2 3.83Å; Y625-Y655 HydrophobicContact CD1-CD2 3.83Å; Y625-Y655 HydrophobicContact CD1-CE2 4.35Å; Y625-Y655 AromaticContact CD1-CG 3.9Å; Y625-Y655 HydrophobicContact CD1-CG 3.9Å; Y625-Y655 HydrophobicContact CD2-CD2 4.41Å; Y625-Y655 HydrophobicContact CD2-CE2 4.12Å; Y625-Y655 AromaticContact CE1-CD2 3.69Å; Y625-Y655 HydrophobicContact CE1-CD2 3.69Å; Y625-Y655 HydrophobicContact CE1-CE2 4.25Å; Y625-Y655 HydrophobicContact CE1-CG 4.16Å; Y625-Y655 HydrophobicContact CE2-CD2 4.3Å; Y625-Y655 HydrophobicContact CE2-CE2 4.02Å; Y625-Y655 HydrophobicContact CG-CD1 4.47Å; Y625-Y655 HydrophobicContact CG-CD2 4.18Å; Y625-Y655 HydrophobicContact CG-CE2 4.28Å; Y625-Y655 HydrophobicContact CG-CG 4.29Å; Y625-Y655 AromaticContact CZ-CD2 3.93Å; T629-Y655 HydrophobicContact CG2-CD1 3.34Å; T629-Y655 HydrophobicContact CG2-CE1 3.93Å; T629-Y655 HydrophobicContact CG2-CG 4.27Å; Y633-Y655 VanDerWaalsContact CB-CE1 3.47Å; Y633-Y655 HydrophobicContact CD1-CE1 4.33Å; Y633-Y655 WeakPolarHBondContact CD1-OH 3.08Å; Y633-Y655 HydrophobicContact CD2-CE1 4.12Å; Y633-Y655 AromaticContact CG-CE1 3.71Å; Y633-Y655 HydrophobicContact CG-CE1 3.71Å; Y633-Y655 AromaticContact CG-CZ 3.8Å; W646-Y655 WeakPolarHBondContact CH2-OH 3.35Å; W646-Y655 WeakPolarHBondContact CZ2-OH 3.47Å; E651-Y655 HydrophobicContact CB-CD2 3.84Å; E651-Y655 HydrophobicContact CB-CE2 3.66Å; E651-Y655 HydrophobicContact CG-CE2 4.24Å; E651-Y655 WeakPolarHBondContact O-CD2 3.42Å; E651-Y655 PolarHBondContact O-N 3.31Å; Y655-K657 PolarHBondContact O-N 2.96Å; Y655-M658 PolarHBondContact O-N 3.23Å; Y655-M658 VanDerWaalsContact O-N 3.1Å; Y655-T659 WeakPolarHBondContact O-CG2 3.18Å; Y655-T659 PolarHBondContact O-N 2.9Å; Y655-T659 PolarHBondContact O-OG1 2.83Å
656	C	54.4	Low	56.4	Low	77 Å²	77	75.3 Å²	75.3	52%	0.52	40%	0.4	S	S	.	.	H	α-helix	trans	-61.2	-21.3	173.8	-77	0	0	0	0	115.2	S652 C654 T659	S652-C656 WeakPolarHBondContact O-CB 3.44Å; S652-C656 PolarHBondContact O-N 2.77Å; S652-C656 VanDerWaalsContact O-N 3.09Å; S652-C656 PolarHBondContact O-SG 2.87Å; C654-C656 VanDerWaalsContact C-N 3.34Å; C654-C656 PolarHBondContact O-N 2.87Å; C656-T659 VanDerWaalsContact CA-OG1 3.26Å; C656-T659 WeakPolarHBondContact CA-OG1 3.26Å; C656-T659 PolarHBondContact O-OG1 2.88Å
657	K	55.1	Low	54.7	Low	151 Å²	151	79.4 Å²	79.4	66%	0.657	42%	0.423	S	S	*	.	H	α-helix	trans	-82.6	-41.4	171.8	-83.9	179	178.7	177	0	111.4	G653 C654 Y655 T659 R660	G653-K657 PolarHBondContact O-N 2.95Å; C654-K657 WeakPolarHBondContact O-CB 3.12Å; C654-K657 PolarHBondContact O-N 2.76Å; Y655-K657 PolarHBondContact O-N 2.96Å; K657-T659 VanDerWaalsContact C-N 3.29Å; K657-T659 PolarHBondContact O-N 2.94Å; K657-R660 PolarHBondContact O-N 2.92Å; K657-R660 VanDerWaalsContact O-N 3.14Å
658	M	55.3	Low	53.5	Low	9 Å²	9	81.3 Å²	81.3	4%	0.044	43%	0.433	C	S	.	.	H	α-helix	trans	-65.7	-34.2	176.6	-70.4	170.1	-176.4	0	0	111.8	L632 Y633 Y636 C654 Y655 R660 I661	L632-M658 HydrophobicContact CD2-CB 4.14Å; L632-M658 HydrophobicContact CD2-CG 3.97Å; L632-M658 HydrophobicContact CD2-SD 4.29Å; L632-M658 HydrophobicContact CG-CG 4.43Å; L632-M658 HydrophobicContact CG-SD 4.15Å; Y633-M658 HydrophobicContact CD2-CE 4.23Å; Y633-M658 HydrophobicContact CD2-SD 4.47Å; Y636-M658 HydrophobicContact CD1-CE 3.23Å; Y636-M658 HydrophobicContact CE1-CE 4.05Å; Y636-M658 HydrophobicContact CG-CE 3.53Å; C654-M658 PolarHBondContact O-N 2.82Å; Y655-M658 PolarHBondContact O-N 3.23Å; Y655-M658 VanDerWaalsContact O-N 3.1Å; M658-R660 PolarHBondContact O-N 3.24Å; M658-R660 VanDerWaalsContact O-N 3.14Å; M658-I661 PolarHBondContact O-N 3.34Å; M658-I661 VanDerWaalsContact O-N 3.15Å
659	T	55.2	Low	53.1	Low	37 Å²	37	81.6 Å²	81.6	23%	0.227	43%	0.431	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.5	-14.4	173	60.7	0	0	0	0	114.4	R56 Y655 C656 K657	R56-T659 VanDerWaalsContact CZ-CG2 3.47Å; Y655-T659 WeakPolarHBondContact O-CG2 3.18Å; Y655-T659 PolarHBondContact O-N 2.9Å; Y655-T659 PolarHBondContact O-OG1 2.83Å; C656-T659 VanDerWaalsContact CA-OG1 3.26Å; C656-T659 WeakPolarHBondContact CA-OG1 3.26Å; C656-T659 PolarHBondContact O-OG1 2.88Å; K657-T659 VanDerWaalsContact C-N 3.29Å; K657-T659 PolarHBondContact O-N 2.94Å
660	R	54.4	Low	53	Low	216 Å²	216	73.4 Å²	73.4	82%	0.815	40%	0.4	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.8	-11.5	177.4	-68.5	-178	-177.1	-168.9	-0.5	113.3	K657 M658	K657-R660 PolarHBondContact O-N 2.92Å; K657-R660 VanDerWaalsContact O-N 3.14Å; M658-R660 PolarHBondContact O-N 3.24Å; M658-R660 VanDerWaalsContact O-N 3.14Å
661	I	50.4	Low	53.2	Low	137 Å²	137	73.3 Å²	73.3	70%	0.703	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.3	-31.4	-179.5	-64.7	174.6	0	0	0	110.7	M658	M658-I661 PolarHBondContact O-N 3.34Å; M658-I661 VanDerWaalsContact O-N 3.15Å
662	N	41.4	Very low	53.2	Low	99 Å²	99	79.6 Å²	79.6	53%	0.529	42%	0.424	S	S	.	.			trans	-84.7	0	166.6	-63.3	-28.6	0	0	0	110.2	Y51	Y51-N662 HydrophobicContact CD1-CB 3.53Å; Y51-N662 HydrophobicContact CE1-CB 3.44Å; Y51-N662 VanDerWaalsContact CE1-CB 3.44Å

Retrieved 662 of 662 residues in 4922.7 ms (Link to these results)

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