A0A096MSM0_PAPAN Loading...

leucine--tRNA ligase

AlphaFold DB , UniProt , Accession A0A096MSM0, Species PAPAN (Papio anubis, Olive baboon), Gene LARS2, Length 903 aa.

						>A0A096MSM0_PAPAN|A0A096MSM0|LARS2
MASAWQRLGFYASLLKIQLNGGPDVIKWERRVIPRCTRSIYSATGKWTKEYTLQTRKDVEKWWHQRIKEQASKISEADKSKPKYYVLSMFPYPSGKLHMGHVRVYTISDTIARFQKMRGMQVINPMGWDAFGLPAENAAIERNLHPESWTQSNIKHMRKQLDRLGLCFSWDREITTCLPDYYKWTQYLFVKLYEAGLAYQKEALVNWDPVDQTVLANEQVDEHGCSWRSGAKVEQKYLRQWFIKTTAYAKAMQDALADLPEWYGIKGMQAHWIGDCVGCHLDFTLKVHGQATGEKLTAYTATPEAIYGTSHVAISPSHRLLHGHSSLKEALRMALVPGKDCLTPVMAVNMLTQQEVPVVILAKADLEGSLDSKIGIPSTSSEDTILAQTLGLAYSEVIETLPDGTERLSSSAEFTGMTRQDAFLALTQKAREKRVGGDVTSDKLKDWLISRQRYWGTPIPIVHCPACGPTPVPLEDLPVTLPNIASFTGKGGSPLAMASEWVNCSCPRCKGAAKRETDTMDTFVDSAWYYFRYTDPHNSHSPFNTAVADYWMPVDLYIGGKEHAVMHLFYARFFSHFCHDQKMVKHREPFHKLLAQGLIKGQTFRLPSGQYLQGEEVDLTGSVPVHAKTKEKLEVTWEKMSKSKHNGVDPEEVVEQYGIDTIRLYILFAAPPEKDILWDVKTDALPGVLRWQQRLWALTTRFIEARASGKAPQPQLLSDKEKAEARKLWEYKNSIIAQVTTHFTEDFSLNSAISQLMGLSSALLQASQRVILHSPEFEDALCALMVMAAPMAPHITSEIWAGLALVPRKLCAHYSWDASVLLQAWPAVDPEFLQPPEIIQMAVLINNKACGKIPVPQQVAQDRDKVHEFVLQSELGVKLLQGRSIKKSFLSPRTALINFLVQD
					

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	29.9	Very low	28.7	Very low	235 Å²	235	153 Å²	153	100%	1.158	80%	0.799	S	S	*	*				0	94.4	0	-68.6	-166.5	-87.6	0	0	106.5
2	A	29.3	Very low	28.3	Very low	102 Å²	102	147.5 Å²	147.5	84%	0.843	79%	0.793	S	S	*	*				65.2	115.7	84.8	0	0	0	0	0	110.6
3	S	32	Very low	28.1	Very low	120 Å²	120	143.5 Å²	143.5	84%	0.839	78%	0.783	S	S	*	*				-166	159.6	85.2	57.7	0	0	0	0	109.9
4	A	25.7	Very low	27.7	Very low	93 Å²	93	143.6 Å²	143.6	77%	0.769	78%	0.781	S	S	*	*			cis	-168.5	151.7	-6	0	0	0	0	0	106.1
5	W	27	Very low	27.5	Very low	237 Å²	237	142.6 Å²	142.6	90%	0.898	77%	0.774	S	S	*	*			trans	-81.8	173.5	176.5	-84.1	57.8	0	0	0	112.6
6	Q	34.3	Very low	27.4	Very low	140 Å²	140	145.1 Å²	145.1	65%	0.654	78%	0.775	S	S	*	*			trans	95.5	130.5	155.2	-69.1	-174	-6.2	0	0	115.4
7	R	30.6	Very low	27.4	Very low	184 Å²	184	143.6 Å²	143.6	69%	0.694	77%	0.766	S	S	*	*			cis	-173	146.9	22.6	-110.6	162.7	-154	-132.2	5.6	111.4
8	L	30.5	Very low	27.5	Very low	145 Å²	145	144.7 Å²	144.7	76%	0.759	77%	0.765	S	S	*	*			trans	51.3	138.6	134.5	-62.6	160.1	0	0	0	119.9
9	G	26.5	Very low	27.4	Very low	67 Å²	67	143.7 Å²	143.7	69%	0.691	76%	0.76	S	S	*	*			cis	136.5	146.2	13.2	0	0	0	0	0	110.6
10	F	25	Very low	27.4	Very low	163 Å²	163	144.2 Å²	144.2	72%	0.715	76%	0.763	S	S	*	*			trans	104.4	132	144.1	-89	-73.7	0	0	0	124.8
11	Y	25.1	Very low	27.4	Very low	197 Å²	197	141.1 Å²	141.1	77%	0.773	77%	0.766	S	S	*	*			trans	72.8	106.5	153.8	-76	-69.8	0	0	0	118.8
12	A	24.1	Very low	27.3	Very low	87 Å²	87	133.5 Å²	133.5	72%	0.719	75%	0.748	S	S	*	*				83.1	148.6	86.6	0	0	0	0	0	112.9
13	S	24.7	Very low	27.6	Very low	95 Å²	95	134.4 Å²	134.4	66%	0.664	75%	0.745	S	S	*	*			cis	-169.2	154.7	-11.4	58.2	0	0	0	0	106.2
14	L	23.1	Very low	27.4	Very low	145 Å²	145	135.5 Å²	135.5	76%	0.759	74%	0.742	S	S	*	*			trans	59.4	122.1	139	-72.8	158.1	0	0	0	120.6
15	L	25.1	Very low	27.5	Very low	129 Å²	129	137.3 Å²	137.3	68%	0.675	74%	0.743	S	S	*	*			trans	73.1	105.8	131.8	-84.8	158.9	0	0	0	119.2
16	K	24.8	Very low	27.9	Very low	182 Å²	182	133.3 Å²	133.3	79%	0.791	74%	0.737	S	S	*	*				162.8	112.5	106.9	-93.5	175.2	175.1	178.7	0	109.7
17	I	27.8	Very low	27.5	Very low	120 Å²	120	135.7 Å²	135.7	62%	0.615	75%	0.745	S	S	*	*				87.9	117.8	81	-80.2	-177.1	0	0	0	111.7
18	Q	28.6	Very low	27.4	Very low	163 Å²	163	138.5 Å²	138.5	76%	0.762	76%	0.756	S	S	*	*			trans	72.5	142.3	148.9	-74.8	176.8	-26.7	0	0	117.9
19	L	26.9	Very low	27.2	Very low	126 Å²	126	139.5 Å²	139.5	66%	0.66	76%	0.757	S	S	*	*			cis	-168.3	160.7	15.6	-109	154.9	0	0	0	109.6
20	N	26.9	Very low	27.3	Very low	153 Å²	153	147.5 Å²	147.5	82%	0.818	77%	0.766	S	S	*	*			trans	88	120.8	148.9	-67.3	-16.6	0	0	0	121.5
21	G	27.4	Very low	27.3	Very low	80 Å²	80	150 Å²	150	83%	0.825	77%	0.771	S	S	*	*			trans	167.2	38.4	153.7	0	0	0	0	0	121.9
22	G	27.5	Very low	27.6	Very low	76 Å²	76	146.8 Å²	146.8	78%	0.784	77%	0.772	S	S	*	*			trans	78.2	168.1	148	0	0	0	0	0	121.2
23	P	35.5	Very low	27.8	Very low	121 Å²	121	149.2 Å²	149.2	79%	0.786	77%	0.771	S	S	*	*			trans	-107.1	178.3	-141.6	42.7	-33.5	0	0	0	112.7
24	D	28.1	Very low	28.4	Very low	143 Å²	143	150 Å²	150	77%	0.765	77%	0.774	S	S	*	*			cis	-161.8	151.1	17	-115.6	-35.6	0	0	0	106.1
25	V	29	Very low	28.9	Very low	130 Å²	130	154.4 Å²	154.4	79%	0.788	78%	0.78	S	S	*	*			trans	-179.9	118.4	137.5	170.2	0	0	0	0	107.9	K27	V25-K27 PolarHBondContact O-N 2.83Å; V25-K27 VanDerWaalsContact O-N 3.16Å
26	I	34.4	Very low	29.3	Very low	153 Å²	153	153.4 Å²	153.4	79%	0.785	78%	0.783	S	S	*	*			trans	-55.6	111.1	172.3	-63.8	164.7	0	0	0	110
27	K	26.6	Very low	30	Very low	190 Å²	190	151.2 Å²	151.2	83%	0.826	79%	0.785	S	S	*	*			trans	-110.4	119.5	165.7	-91.2	-177.7	177.9	174.3	0	109.3	V25 E29	V25-K27 PolarHBondContact O-N 2.83Å; V25-K27 VanDerWaalsContact O-N 3.16Å; K27-E29 PolarHBondContact O-N 3.05Å
28	W	28	Very low	31	Very low	244 Å²	244	151.4 Å²	151.4	92%	0.924	78%	0.778	S	S	*	*			trans	-57.2	116.9	166.1	-87.2	62	0	0	0	110.2	R30	W28-R30 PolarHBondContact O-N 3.13Å
29	E	26.1	Very low	32.6	Very low	165 Å²	165	145.7 Å²	145.7	77%	0.771	76%	0.756	S	S	*	*			trans	-64.1	108.9	169.2	-72.7	-175.3	156.6	0	0	110.2	K27 R31	K27-E29 PolarHBondContact O-N 3.05Å; E29-R31 PolarHBondContact O-N 2.98Å
30	R	27.9	Very low	35.4	Very low	235 Å²	235	140 Å²	140	89%	0.887	73%	0.726	S	S	*	*			trans	-78.4	97.5	150.1	-87.7	-175.3	176.5	-176.2	0	107.3	W28 V32	W28-R30 PolarHBondContact O-N 3.13Å; R30-V32 PolarHBondContact O-N 3.46Å
31	R	26.5	Very low	38.1	Very low	215 Å²	215	134.1 Å²	134.1	81%	0.811	69%	0.693	S	S	*	*			trans	-54.1	103.8	159.2	-80.7	-178	-179.6	-178.2	-0.6	108.4	E29 I33	E29-R31 PolarHBondContact O-N 2.98Å; R31-I33 VanDerWaalsContact C-N 3.3Å; R31-I33 PolarHBondContact O-N 3.21Å
32	V	29.9	Very low	40.9	Very low	130 Å²	130	131.9 Å²	131.9	79%	0.788	67%	0.665	S	S	*	*			trans	-73.1	94.1	162.6	179.2	0	0	0	0	106.1	R30 P34	R30-V32 PolarHBondContact O-N 3.46Å; V32-P34 WeakPolarHBondContact O-CD 3.08Å
33	I	29.7	Very low	43.5	Very low	138 Å²	138	130.6 Å²	130.6	71%	0.708	65%	0.646	S	S	*	*	P	Polyproline II helix	trans	-63.5	122	163.2	-59.1	172.1	0	0	0	105.9	R31 R35	R31-I33 VanDerWaalsContact C-N 3.3Å; R31-I33 PolarHBondContact O-N 3.21Å; I33-R35 PolarHBondContact O-N 2.84Å; I33-R35 VanDerWaalsContact O-N 3.09Å
34	P	37.1	Very low	45.9	Very low	111 Å²	111	128 Å²	128	72%	0.721	63%	0.629	S	S	*	*	P	Polyproline II helix	trans	-60.3	118.9	169.4	-13.6	27.1	0	0	0	107.2	V32 C36	V32-P34 WeakPolarHBondContact O-CD 3.08Å; P34-C36 PolarHBondContact O-N 3.22Å
35	R	33.6	Very low	48.5	Very low	238 Å²	238	123.5 Å²	123.5	90%	0.898	62%	0.616	S	S	*	*	P	Polyproline II helix	trans	-52.7	116.4	174.7	-93.5	-179.2	170.5	-179.7	-2.7	108.4	I33 T37	I33-R35 PolarHBondContact O-N 2.84Å; I33-R35 VanDerWaalsContact O-N 3.09Å; R35-T37 PolarHBondContact O-N 3.18Å
36	C	33	Very low	51.2	Low	108 Å²	108	125 Å²	125	73%	0.73	61%	0.612	S	S	*	*			trans	-49.4	106.5	176.6	-158.6	0	0	0	0	109.9	P34 R38	P34-C36 PolarHBondContact O-N 3.22Å; C36-R38 VanDerWaalsContact C-N 3.27Å; C36-R38 PolarHBondContact O-N 3.48Å
37	T	39.9	Very low	53.9	Low	137 Å²	137	119.5 Å²	119.5	84%	0.84	58%	0.581	S	S	*	*			trans	-70.1	87.6	170.5	35.2	0	0	0	0	108.1	R35 S39	R35-T37 PolarHBondContact O-N 3.18Å; T37-S39 PolarHBondContact O-N 2.83Å
38	R	48.5	Very low	56.9	Low	123 Å²	123	111.5 Å²	111.5	46%	0.464	55%	0.549	S	S	.	.	P	Polyproline II helix	trans	-69.6	120.9	167.4	-72.1	-178.9	174.9	-180	-6.7	107.7	C36 E50	C36-R38 VanDerWaalsContact C-N 3.27Å; C36-R38 PolarHBondContact O-N 3.48Å; R38-E50 IonicContact CZ-OE1 2.6Å; R38-E50 IonicContact CZ-OE2 3.62Å; R38-E50 IonicContact NH1-OE1 3.82Å; R38-E50 PolarHBondContact NH1-OE1 3.29Å; R38-E50 VanDerWaalsContact NH1-OE1 3.13Å; R38-E50 IonicContact NH1-OE2 3.7Å; R38-E50 PolarHBondContact NH1-OE2 3.2Å; R38-E50 IonicContact NH2-OE1 2.71Å; R38-E50 PolarHBondContact NH2-OE1 3.05Å; R38-E50 IonicContact NH2-OE2 2.54Å
39	S	63.2	Low	59.8	Low	44 Å²	44	106.7 Å²	106.7	31%	0.308	53%	0.534	S	S	.	.	P	Polyproline II helix	trans	-101	158.1	178.9	53.1	0	0	0	0	111.2	T37 T44 T48	T37-S39 PolarHBondContact O-N 2.83Å; S39-T44 WeakPolarHBondContact CB-OG1 3.29Å; S39-T44 VanDerWaalsContact OG-CB 3.31Å; S39-T44 WeakPolarHBondContact OG-CB 3.34Å; S39-T44 WeakPolarHBondContact OG-CG2 3.38Å; S39-T44 PolarHBondContact OG-OG1 3.19Å; S39-T48 PolarHBondContact O-OG1 2.97Å
40	I	83.9	Confident	62.8	Low	6 Å²	6	103.3 Å²	103.3	3%	0.031	52%	0.518	C	S	.	.	P	Polyproline II helix	trans	-82.2	163.2	174.2	64.8	169	0	0	0	111	A43 T44 T55 D58 V59 W62 E798	I40-A43 HydrophobicContact CG1-CB 3.77Å; I40-A43 PolarHBondContact O-N 2.74Å; I40-T44 PolarHBondContact O-N 2.96Å; I40-T44 PolarHBondContact O-OG1 3.43Å; I40-T55 HydrophobicContact CG2-CG2 4.42Å; I40-D58 HydrophobicContact CG2-CB 3.55Å; I40-V59 HydrophobicContact CB-CG2 4.31Å; I40-V59 HydrophobicContact CD1-CG2 4.48Å; I40-V59 HydrophobicContact CG2-CG2 3.68Å; I40-W62 HydrophobicContact CD1-CB 3.31Å; I40-W62 HydrophobicContact CD1-CD2 4.22Å; I40-W62 HydrophobicContact CD1-CG 3.59Å; I40-E798 WeakPolarHBondContact CB-OE1 3.49Å
41	Y	84.8	Confident	65.9	Low	30 Å²	30	92.8 Å²	92.8	12%	0.118	48%	0.479	C	S	.	.	H	α-helix	trans	-59.1	-51.1	-176.7	-176.5	-104.2	0	0	0	111.7	A43 T44 G45 K46 W47 E798 A801 L805	Y41-A43 PolarHBondContact O-N 2.87Å; Y41-A43 VanDerWaalsContact O-N 3.08Å; Y41-T44 PolarHBondContact O-N 2.8Å; Y41-G45 VanDerWaalsContact CE2-C 3.45Å; Y41-G45 WeakPolarHBondContact CE2-O 3.48Å; Y41-G45 WeakPolarHBondContact O-CA 3.45Å; Y41-G45 PolarHBondContact O-N 2.88Å; Y41-K46 WeakPolarHBondContact CA-O 3.19Å; Y41-W47 HydrophobicContact CD2-CB 3.97Å; Y41-W47 HydrophobicContact CD2-CE3 4.11Å; Y41-W47 AromaticContact CG-CE3 3.85Å; Y41-W47 HydrophobicContact CG-CE3 3.85Å; Y41-W47 HydrophobicContact CG-CZ3 4.49Å; Y41-E798 VanDerWaalsContact CA-OE1 3.28Å; Y41-E798 WeakPolarHBondContact CA-OE1 3.43Å; Y41-E798 WeakPolarHBondContact CB-OE1 3.45Å; Y41-E798 PolarHBondContact N-OE1 3.48Å; Y41-A801 HydrophobicContact CD1-CB 4.44Å; Y41-A801 WeakPolarHBondContact CE1-O 3.36Å; Y41-L805 HydrophobicContact CE1-CB 4.11Å; Y41-L805 HydrophobicContact CE1-CD1 3.57Å; Y41-L805 HydrophobicContact CE1-CG 4.06Å; Y41-L805 WeakPolarHBondContact OH-CB 3.18Å; Y41-L805 WeakPolarHBondContact OH-CD1 3.42Å; Y41-L805 WeakPolarHBondContact OH-CG 3.47Å
42	S	85.1	Confident	69	Low	33 Å²	33	85 Å²	85	23%	0.231	46%	0.455	C	S	.	.	H	α-helix	trans	-62.4	-23.4	-176.3	-58.2	0	0	0	0	113.7	W62 W63 E798	S42-W62 WeakPolarHBondContact O-CZ2 3.4Å; S42-W63 VanDerWaalsContact OG-CZ2 3.25Å; S42-W63 WeakPolarHBondContact OG-CZ2 3.03Å; S42-E798 VanDerWaalsContact CB-OE2 3.22Å; S42-E798 WeakPolarHBondContact CB-OE2 3.45Å; S42-E798 PolarHBondContact N-OE1 3.25Å; S42-E798 PolarHBondContact OG-OE2 2.63Å
43	A	83.8	Confident	72	Confident	48 Å²	48	82.2 Å²	82.2	40%	0.397	44%	0.435	S	S	.	.	H	α-helix	trans	-87.3	-25.4	177.8	0	0	0	0	0	113.5	I40 Y41 W62	I40-A43 HydrophobicContact CG1-CB 3.77Å; I40-A43 PolarHBondContact O-N 2.74Å; Y41-A43 PolarHBondContact O-N 2.87Å; Y41-A43 VanDerWaalsContact O-N 3.08Å; A43-W62 HydrophobicContact CB-CD2 4.46Å; A43-W62 HydrophobicContact CB-CE3 3.89Å; A43-W62 HydrophobicContact CB-CH2 4.2Å; A43-W62 HydrophobicContact CB-CZ3 3.75Å
44	T	85.3	Confident	74.9	Confident	67 Å²	67	80.9 Å²	80.9	41%	0.411	43%	0.426	S	S	.	.	H	α-helix	trans	-135.8	-4.9	-167.1	56.9	0	0	0	0	116.2	S39 I40 Y41 K46	S39-T44 WeakPolarHBondContact CB-OG1 3.29Å; S39-T44 VanDerWaalsContact OG-CB 3.31Å; S39-T44 WeakPolarHBondContact OG-CB 3.34Å; S39-T44 WeakPolarHBondContact OG-CG2 3.38Å; S39-T44 PolarHBondContact OG-OG1 3.19Å; I40-T44 PolarHBondContact O-N 2.96Å; I40-T44 PolarHBondContact O-OG1 3.43Å; Y41-T44 PolarHBondContact O-N 2.8Å; T44-K46 PolarHBondContact O-N 3.27Å
45	G	82.8	Confident	77.6	Confident	49 Å²	49	75.9 Å²	75.9	51%	0.505	39%	0.394	S	S	.	.	S	Bend	trans	66.9	7.1	-174	0	0	0	0	0	114.2	Y41	Y41-G45 VanDerWaalsContact CE2-C 3.45Å; Y41-G45 WeakPolarHBondContact CE2-O 3.48Å; Y41-G45 WeakPolarHBondContact O-CA 3.45Å; Y41-G45 PolarHBondContact O-N 2.88Å
46	K	85.8	Confident	80.5	Confident	160 Å²	160	65 Å²	65	70%	0.696	35%	0.353	S	S	*	.			trans	-113.7	123.8	179.8	-69.6	-173.6	179.3	180	0	110.6	Y41 T44	Y41-K46 WeakPolarHBondContact CA-O 3.19Å; T44-K46 PolarHBondContact O-N 3.27Å
47	W	89.7	Confident	83.4	Confident	38 Å²	38	62.4 Å²	62.4	14%	0.144	33%	0.329	C	S	.	.			trans	-80.5	123.3	-177.4	-175.8	-97.1	0	0	0	110.2	Y41 W696 T699 T700 I703 I799	Y41-W47 HydrophobicContact CD2-CB 3.97Å; Y41-W47 HydrophobicContact CD2-CE3 4.11Å; Y41-W47 AromaticContact CG-CE3 3.85Å; Y41-W47 HydrophobicContact CG-CE3 3.85Å; Y41-W47 HydrophobicContact CG-CZ3 4.49Å; W47-W696 AromaticContact CE2-CE2 3.98Å; W47-W696 HydrophobicContact CH2-CD2 4.11Å; W47-W696 AromaticContact CH2-CE2 3.93Å; W47-W696 AromaticContact CH2-CE3 3.99Å; W47-W696 HydrophobicContact CH2-CE3 3.99Å; W47-W696 AromaticContact CH2-CH2 3.55Å; W47-W696 HydrophobicContact CH2-CH2 3.55Å; W47-W696 AromaticContact CH2-CZ2 3.68Å; W47-W696 HydrophobicContact CH2-CZ2 3.68Å; W47-W696 AromaticContact CH2-CZ3 3.72Å; W47-W696 HydrophobicContact CH2-CZ3 3.72Å; W47-W696 AromaticContact CZ2-CD2 3.73Å; W47-W696 HydrophobicContact CZ2-CD2 3.73Å; W47-W696 AromaticContact CZ2-CE2 3.44Å; W47-W696 VanDerWaalsContact CZ2-CE2 3.44Å; W47-W696 HydrophobicContact CZ2-CE3 4.09Å; W47-W696 HydrophobicContact CZ2-CG 4.29Å; W47-W696 AromaticContact CZ2-CH2 3.95Å; W47-W696 HydrophobicContact CZ2-CH2 3.95Å; W47-W696 AromaticContact CZ2-CZ2 3.57Å; W47-W696 HydrophobicContact CZ2-CZ2 3.57Å; W47-W696 HydrophobicContact CZ2-CZ3 4.19Å; W47-W696 AromaticContact CZ2-NE1 3.81Å; W47-W696 HydrophobicContact CZ3-CH2 4.03Å; W47-W696 HydrophobicContact CZ3-CZ2 4.24Å; W47-W696 HydrophobicContact CZ3-CZ3 4.49Å; W47-T699 HydrophobicContact CH2-CG2 3.71Å; W47-T699 HydrophobicContact CZ2-CG2 3.64Å; W47-T699 HydrophobicContact CZ3-CG2 4.41Å; W47-T700 PolarHBondContact NE1-OG1 3.48Å; W47-I703 HydrophobicContact CB-CD1 4.45Å; W47-I703 HydrophobicContact CD2-CD1 3.47Å; W47-I703 VanDerWaalsContact CD2-CD1 3.47Å; W47-I703 HydrophobicContact CE3-CD1 3.68Å; W47-I703 HydrophobicContact CG-CD1 3.8Å; W47-I703 HydrophobicContact CZ2-CD1 4.35Å; W47-I703 HydrophobicContact CZ3-CD1 4.23Å; W47-I799 HydrophobicContact CH2-CG1 4.13Å
48	T	90.2	Very high	85.9	Confident	23 Å²	23	57.9 Å²	57.9	14%	0.141	30%	0.3	C	S	.	.			trans	-86.7	128.1	176.6	-70.4	0	0	0	0	109.7	S39 E50 W696	S39-T48 PolarHBondContact O-OG1 2.97Å; T48-E50 WeakPolarHBondContact CG2-O 3.33Å; T48-W696 PolarHBondContact O-NE1 2.89Å
49	K	88.9	Confident	88.2	Confident	142 Å²	142	52 Å²	52	62%	0.617	28%	0.278	S	S	*	.	S	Bend	trans	-75.1	-26.4	-176.1	-56.8	-167.6	-171.9	-161.3	0	114.2	T700 E704	K49-T700 HydrophobicContact CB-CG2 4.19Å; K49-T700 HydrophobicContact CG-CG2 4.03Å; K49-E704 WeakPolarHBondContact CD-OE1 3.13Å; K49-E704 WeakPolarHBondContact CE-OE1 3.23Å; K49-E704 IonicContact NZ-OE1 2.74Å; K49-E704 PolarHBondContact NZ-OE1 3.4Å
50	E	88.7	Confident	89.7	Confident	94 Å²	94	50.5 Å²	50.5	44%	0.439	27%	0.266	S	S	.	.			trans	-97	133.3	-176.7	-67.2	175.7	-139	0	0	111.1	R38 T48 T52 T55	R38-E50 IonicContact CZ-OE1 2.6Å; R38-E50 IonicContact CZ-OE2 3.62Å; R38-E50 IonicContact NH1-OE1 3.82Å; R38-E50 PolarHBondContact NH1-OE1 3.29Å; R38-E50 VanDerWaalsContact NH1-OE1 3.13Å; R38-E50 IonicContact NH1-OE2 3.7Å; R38-E50 PolarHBondContact NH1-OE2 3.2Å; R38-E50 IonicContact NH2-OE1 2.71Å; R38-E50 PolarHBondContact NH2-OE1 3.05Å; R38-E50 IonicContact NH2-OE2 2.54Å; T48-E50 WeakPolarHBondContact CG2-O 3.33Å; E50-T52 HydrophobicContact CB-CG2 4.17Å; E50-T55 PolarHBondContact O-OG1 2.93Å
51	Y	93.1	Very high	90.2	Very high	14 Å²	14	58.5 Å²	58.5	6%	0.055	30%	0.3	C	S	.	.			trans	-105.2	80.7	172.9	-166.1	-114.2	0	0	0	110.8	T55 R56 Q692 Q693 W696 I795	Y51-T55 HydrophobicContact CD2-CG2 3.96Å; Y51-T55 HydrophobicContact CE2-CG2 4.43Å; Y51-R56 HydrophobicContact CE1-CB 4.44Å; Y51-R56 HydrophobicContact CE2-CB 4.32Å; Y51-Q692 HydrophobicContact CD1-CB 4.3Å; Y51-Q692 HydrophobicContact CE1-CB 3.82Å; Y51-Q693 HydrophobicContact CD1-CG 4.45Å; Y51-W696 HydrophobicContact CD2-CB 4.46Å; Y51-W696 AromaticContact CD2-CD2 3.55Å; Y51-W696 HydrophobicContact CD2-CD2 3.55Å; Y51-W696 AromaticContact CD2-CE3 3.5Å; Y51-W696 HydrophobicContact CD2-CE3 3.5Å; Y51-W696 HydrophobicContact CD2-CG 4Å; Y51-W696 HydrophobicContact CD2-CH2 4.41Å; Y51-W696 HydrophobicContact CD2-CZ2 4.45Å; Y51-W696 AromaticContact CD2-CZ3 3.96Å; Y51-W696 HydrophobicContact CD2-CZ3 3.96Å; Y51-W696 HydrophobicContact CE2-CD2 4.33Å; Y51-W696 AromaticContact CE2-CE3 3.81Å; Y51-W696 HydrophobicContact CE2-CE3 3.81Å; Y51-W696 HydrophobicContact CE2-CZ3 4Å; Y51-W696 HydrophobicContact CG-CB 4.1Å; Y51-W696 HydrophobicContact CG-CD2 4.04Å; Y51-W696 HydrophobicContact CG-CE3 4.28Å; Y51-W696 AromaticContact CG-CG 3.98Å; Y51-W696 HydrophobicContact CG-CG 3.98Å; Y51-I795 HydrophobicContact CD1-CD1 4.46Å; Y51-I795 HydrophobicContact CE1-CD1 3.7Å; Y51-I795 HydrophobicContact CE2-CD1 4.11Å; Y51-I795 HydrophobicContact CE2-CG1 4.11Å; Y51-I795 VanDerWaalsContact CZ-CD1 3.49Å; Y51-I795 WeakPolarHBondContact OH-CD1 3.43Å
52	T	93	Very high	90.7	Very high	52 Å²	52	60.7 Å²	60.7	32%	0.319	31%	0.308	S	S	.	.			trans	-88.7	171	178.5	65.5	0	0	0	0	111.6	E50 Q54 T55 R56	E50-T52 HydrophobicContact CB-CG2 4.17Å; T52-Q54 PolarHBondContact O-N 2.91Å; T52-Q54 PolarHBondContact OG1-N 3.3Å; T52-T55 PolarHBondContact N-OG1 3.46Å; T52-T55 WeakPolarHBondContact O-CB 3.49Å; T52-T55 PolarHBondContact O-N 3.32Å; T52-T55 VanDerWaalsContact O-N 3.14Å; T52-T55 PolarHBondContact OG1-N 3.26Å; T52-T55 PolarHBondContact OG1-OG1 3.35Å; T52-R56 PolarHBondContact O-N 3.11Å
53	L	91.8	Very high	91.2	Very high	71 Å²	71	60.6 Å²	60.6	37%	0.372	30%	0.303	S	S	.	.	H	α-helix	trans	-55	-40.4	170.6	178.5	60.6	0	0	0	111.8	R56 K57 Q656	L53-R56 WeakPolarHBondContact O-CB 3.41Å; L53-R56 PolarHBondContact O-N 3.47Å; L53-K57 HydrophobicContact CD1-CG 4.46Å; L53-K57 HydrophobicContact CG-CD 4.49Å; L53-K57 WeakPolarHBondContact O-CG 3.28Å; L53-K57 PolarHBondContact O-N 3.13Å; L53-Q656 WeakPolarHBondContact CD1-O 3.23Å
54	Q	91.9	Very high	91.6	Very high	111 Å²	111	59.9 Å²	59.9	52%	0.519	29%	0.291	S	S	.	.	H	α-helix	trans	-62.9	-45.6	176.8	-172.9	59.1	51.1	0	0	111.4	T52 R56 K57 D58	T52-Q54 PolarHBondContact O-N 2.91Å; T52-Q54 PolarHBondContact OG1-N 3.3Å; Q54-R56 VanDerWaalsContact C-N 3.3Å; Q54-R56 PolarHBondContact O-N 3.09Å; Q54-K57 PolarHBondContact O-N 3.09Å; Q54-D58 PolarHBondContact NE2-OD1 3.06Å; Q54-D58 PolarHBondContact NE2-OD2 2.89Å; Q54-D58 PolarHBondContact O-N 3.29Å
55	T	93.1	Very high	92	Very high	6 Å²	6	60.8 Å²	60.8	4%	0.037	29%	0.291	C	S	.	.	H	α-helix	trans	-59.5	-43.7	178	-50.4	0	0	0	0	110.7	I40 E50 Y51 T52 D58 V59 W696	I40-T55 HydrophobicContact CG2-CG2 4.42Å; E50-T55 PolarHBondContact O-OG1 2.93Å; Y51-T55 HydrophobicContact CD2-CG2 3.96Å; Y51-T55 HydrophobicContact CE2-CG2 4.43Å; T52-T55 PolarHBondContact N-OG1 3.46Å; T52-T55 WeakPolarHBondContact O-CB 3.49Å; T52-T55 PolarHBondContact O-N 3.32Å; T52-T55 VanDerWaalsContact O-N 3.14Å; T52-T55 PolarHBondContact OG1-N 3.26Å; T52-T55 PolarHBondContact OG1-OG1 3.35Å; T55-D58 PolarHBondContact O-N 3Å; T55-V59 WeakPolarHBondContact O-CB 3.46Å; T55-V59 VanDerWaalsContact O-CG2 3.31Å; T55-V59 WeakPolarHBondContact O-CG2 3.49Å; T55-V59 PolarHBondContact O-N 3.15Å; T55-W696 HydrophobicContact CG2-CH2 4.43Å; T55-W696 HydrophobicContact CG2-CZ2 4.19Å
56	R	94	Very high	92.5	Very high	10 Å²	10	63.5 Å²	63.5	4%	0.038	29%	0.286	C	S	.	.	H	α-helix	trans	-58.5	-48.7	175	-178.8	-176.7	-50.1	154	6.6	112.1	Y51 T52 L53 Q54 D58 V59 E60 Y657 T661	Y51-R56 HydrophobicContact CE1-CB 4.44Å; Y51-R56 HydrophobicContact CE2-CB 4.32Å; T52-R56 PolarHBondContact O-N 3.11Å; L53-R56 WeakPolarHBondContact O-CB 3.41Å; L53-R56 PolarHBondContact O-N 3.47Å; Q54-R56 VanDerWaalsContact C-N 3.3Å; Q54-R56 PolarHBondContact O-N 3.09Å; R56-D58 VanDerWaalsContact C-N 3.29Å; R56-D58 PolarHBondContact O-N 3.12Å; R56-V59 WeakPolarHBondContact O-CB 3.21Å; R56-V59 PolarHBondContact O-N 2.78Å; R56-E60 HydrophobicContact CG-CG 4.47Å; R56-E60 WeakPolarHBondContact CG-OE1 3.08Å; R56-E60 WeakPolarHBondContact O-CB 3.41Å; R56-E60 WeakPolarHBondContact O-CG 3.43Å; R56-E60 PolarHBondContact O-N 3.33Å; R56-Y657 WeakPolarHBondContact CD-O 3.16Å; R56-Y657 PolarHBondContact NH1-O 2.63Å; R56-T661 VanDerWaalsContact CZ-OG1 3.29Å; R56-T661 PolarHBondContact NE-OG1 3.26Å; R56-T661 PolarHBondContact NH1-OG1 2.99Å; R56-T661 VanDerWaalsContact NH1-OG1 3.16Å
57	K	93.1	Very high	92.9	Very high	52 Å²	52	56.1 Å²	56.1	23%	0.226	25%	0.254	C	S	.	.	H	α-helix	trans	-60.3	-40.3	177.5	-74.2	-176.5	175.6	-176.6	0	111.9	L53 Q54 K61 E655	L53-K57 HydrophobicContact CD1-CG 4.46Å; L53-K57 HydrophobicContact CG-CD 4.49Å; L53-K57 WeakPolarHBondContact O-CG 3.28Å; L53-K57 PolarHBondContact O-N 3.13Å; Q54-K57 PolarHBondContact O-N 3.09Å; K57-K61 WeakPolarHBondContact O-CB 3.27Å; K57-K61 PolarHBondContact O-N 3.42Å; K57-E655 WeakPolarHBondContact CE-O 3.48Å; K57-E655 PolarHBondContact NZ-O 3.36Å; K57-E655 IonicContact NZ-OE1 3.35Å; K57-E655 PolarHBondContact NZ-OE1 2.95Å; K57-E655 IonicContact NZ-OE2 3.82Å
58	D	94.3	Very high	92.9	Very high	43 Å²	43	57.6 Å²	57.6	23%	0.23	26%	0.261	C	S	.	.	H	α-helix	trans	-67.3	-42.1	178.3	-63.3	-27.8	0	0	0	111.4	I40 Q54 T55 R56 W62	I40-D58 HydrophobicContact CG2-CB 3.55Å; Q54-D58 PolarHBondContact NE2-OD1 3.06Å; Q54-D58 PolarHBondContact NE2-OD2 2.89Å; Q54-D58 PolarHBondContact O-N 3.29Å; T55-D58 PolarHBondContact O-N 3Å; R56-D58 VanDerWaalsContact C-N 3.29Å; R56-D58 PolarHBondContact O-N 3.12Å; D58-W62 WeakPolarHBondContact O-CB 3.34Å; D58-W62 PolarHBondContact O-N 3.27Å
59	V	95.7	Very high	92.8	Very high	0 Å²	0	61 Å²	61	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-59.2	-52.7	173.7	163.7	0	0	0	0	110.9	I40 T55 R56 K61 W62 W63 W696 H794 E798	I40-V59 HydrophobicContact CB-CG2 4.31Å; I40-V59 HydrophobicContact CD1-CG2 4.48Å; I40-V59 HydrophobicContact CG2-CG2 3.68Å; T55-V59 WeakPolarHBondContact O-CB 3.46Å; T55-V59 VanDerWaalsContact O-CG2 3.31Å; T55-V59 WeakPolarHBondContact O-CG2 3.49Å; T55-V59 PolarHBondContact O-N 3.15Å; R56-V59 WeakPolarHBondContact O-CB 3.21Å; R56-V59 PolarHBondContact O-N 2.78Å; V59-K61 PolarHBondContact O-N 3.3Å; V59-W62 PolarHBondContact O-N 3.31Å; V59-W63 PolarHBondContact O-N 3.35Å; V59-W696 HydrophobicContact CG2-CH2 4.29Å; V59-W696 HydrophobicContact CG2-CZ3 4.42Å; V59-H794 HydrophobicContact CG1-CB 4.29Å; V59-H794 WeakPolarHBondContact CG1-O 3.13Å; V59-E798 HydrophobicContact CG1-CB 3.81Å; V59-E798 HydrophobicContact CG1-CG 4.43Å; V59-E798 HydrophobicContact CG2-CB 3.99Å; V59-E798 HydrophobicContact CG2-CG 3.67Å
60	E	95.1	Very high	92.5	Very high	11 Å²	11	56.5 Å²	56.5	5%	0.051	26%	0.257	C	S	.	.	H	α-helix	trans	-59.4	-49.6	179.9	-72.9	172.9	-178.8	0	0	110.1	R56 W62 W63 H64 G658 I659 D660 H794	R56-E60 HydrophobicContact CG-CG 4.47Å; R56-E60 WeakPolarHBondContact CG-OE1 3.08Å; R56-E60 WeakPolarHBondContact O-CB 3.41Å; R56-E60 WeakPolarHBondContact O-CG 3.43Å; R56-E60 PolarHBondContact O-N 3.33Å; E60-W62 VanDerWaalsContact C-N 3.27Å; E60-W62 PolarHBondContact O-N 3.1Å; E60-W63 PolarHBondContact O-N 3.1Å; E60-H64 WeakPolarHBondContact O-CB 3.5Å; E60-H64 PolarHBondContact O-N 3.47Å; E60-G658 WeakPolarHBondContact OE1-CA 3.4Å; E60-G658 VanDerWaalsContact OE2-CA 3.26Å; E60-G658 WeakPolarHBondContact OE2-CA 3.26Å; E60-I659 HydrophobicContact CB-CD1 4.32Å; E60-I659 HydrophobicContact CG-CB 4.37Å; E60-I659 PolarHBondContact OE1-N 3.31Å; E60-I659 PolarHBondContact OE2-N 2.62Å; E60-D660 PolarHBondContact OE1-N 2.82Å; E60-D660 VanDerWaalsContact OE1-N 3.11Å; E60-H794 HydrophobicContact CG-CB 3.91Å
61	K	94.2	Very high	92.3	Very high	174 Å²	174	53.1 Å²	53.1	76%	0.757	25%	0.245	S	C	*	.	H	α-helix	trans	-55.6	-40	177	-177.3	179.1	179.3	-178.7	0	113	K57 V59	K57-K61 WeakPolarHBondContact O-CB 3.27Å; K57-K61 PolarHBondContact O-N 3.42Å; V59-K61 PolarHBondContact O-N 3.3Å
62	W	94.7	Very high	91.2	Very high	76 Å²	76	56 Å²	56	29%	0.288	27%	0.268	S	S	.	.	H	α-helix	trans	-72.4	-44.8	-179.8	178.5	-92	0	0	0	112.9	I40 S42 A43 D58 V59 E60 R66	I40-W62 HydrophobicContact CD1-CB 3.31Å; I40-W62 HydrophobicContact CD1-CD2 4.22Å; I40-W62 HydrophobicContact CD1-CG 3.59Å; S42-W62 WeakPolarHBondContact O-CZ2 3.4Å; A43-W62 HydrophobicContact CB-CD2 4.46Å; A43-W62 HydrophobicContact CB-CE3 3.89Å; A43-W62 HydrophobicContact CB-CH2 4.2Å; A43-W62 HydrophobicContact CB-CZ3 3.75Å; D58-W62 WeakPolarHBondContact O-CB 3.34Å; D58-W62 PolarHBondContact O-N 3.27Å; V59-W62 PolarHBondContact O-N 3.31Å; E60-W62 VanDerWaalsContact C-N 3.27Å; E60-W62 PolarHBondContact O-N 3.1Å; W62-R66 PolarHBondContact O-NH1 3.47Å
63	W	95.2	Very high	90	Very high	31 Å²	31	62 Å²	62	12%	0.117	29%	0.289	C	S	.	.	H	α-helix	trans	-86.1	-26.4	-172.1	-77.2	105.7	0	0	0	114.2	S42 V59 E60 Q65 R66 I67 S797 E798 A801	S42-W63 VanDerWaalsContact OG-CZ2 3.25Å; S42-W63 WeakPolarHBondContact OG-CZ2 3.03Å; V59-W63 PolarHBondContact O-N 3.35Å; E60-W63 PolarHBondContact O-N 3.1Å; W63-Q65 PolarHBondContact O-N 2.94Å; W63-R66 HydrophobicContact CE3-CB 4.2Å; W63-R66 PolarHBondContact O-N 3.14Å; W63-I67 HydrophobicContact CB-CD1 3.78Å; W63-I67 HydrophobicContact CB-CG1 4.32Å; W63-I67 WeakPolarHBondContact O-CB 3.32Å; W63-I67 WeakPolarHBondContact O-CG1 3.36Å; W63-I67 PolarHBondContact O-N 2.71Å; W63-S797 VanDerWaalsContact CD2-CB 3.47Å; W63-S797 WeakPolarHBondContact CZ2-O 3.4Å; W63-E798 PolarHBondContact NE1-OE2 3.19Å; W63-A801 HydrophobicContact CH2-CB 4.33Å; W63-A801 HydrophobicContact CZ2-CB 3.84Å
64	H	94.1	Very high	88.2	Confident	33 Å²	33	62.9 Å²	62.9	15%	0.153	29%	0.293	C	S	.	.	H	α-helix	trans	-49.4	-56.2	-172.5	-170.7	81.9	0	0	0	113.6	E60 R66 I67 K68 D162 G165 H794	E60-H64 WeakPolarHBondContact O-CB 3.5Å; E60-H64 PolarHBondContact O-N 3.47Å; H64-R66 VanDerWaalsContact C-N 3.35Å; H64-R66 PolarHBondContact O-N 3.14Å; H64-I67 PolarHBondContact O-N 3.21Å; H64-K68 WeakPolarHBondContact O-CB 3.39Å; H64-K68 PolarHBondContact O-N 3.38Å; H64-D162 PolarHBondContact CE1-O 2.74Å; H64-D162 PolarHBondContact NE2-O 2.82Å; H64-G165 VanDerWaalsContact CE1-CA 3.49Å; H64-G165 WeakPolarHBondContact CE1-CA 3.21Å; H64-H794 AromaticContact ND1-NE2 3.49Å; H64-H794 PolarHBondContact ND1-NE2 2.76Å
65	Q	92.6	Very high	86.4	Confident	87 Å²	87	60.5 Å²	60.5	41%	0.407	29%	0.289	S	S	.	.	H	α-helix	trans	-65.8	-37.3	-179	-177.1	58.7	28.4	0	0	112.2	W63 K68 E69	W63-Q65 PolarHBondContact O-N 2.94Å; Q65-K68 WeakPolarHBondContact O-CB 3.42Å; Q65-K68 PolarHBondContact O-N 3.46Å; Q65-E69 WeakPolarHBondContact CG-OE1 3.22Å; Q65-E69 PolarHBondContact NE2-OE1 3.49Å; Q65-E69 WeakPolarHBondContact O-CB 3.44Å; Q65-E69 WeakPolarHBondContact O-CG 3.46Å; Q65-E69 PolarHBondContact O-N 2.94Å
66	R	93.1	Very high	84.7	Confident	106 Å²	106	68.7 Å²	68.7	40%	0.4	33%	0.327	S	S	.	.	H	α-helix	trans	-67.1	-43.1	179.6	-68.5	173.4	169.8	76	3.5	111.9	W62 W63 H64 K68 E69 Q70	W62-R66 PolarHBondContact O-NH1 3.47Å; W63-R66 HydrophobicContact CE3-CB 4.2Å; W63-R66 PolarHBondContact O-N 3.14Å; H64-R66 VanDerWaalsContact C-N 3.35Å; H64-R66 PolarHBondContact O-N 3.14Å; R66-K68 VanDerWaalsContact C-N 3.31Å; R66-E69 PolarHBondContact O-N 2.85Å; R66-Q70 VanDerWaalsContact O-CB 3.32Å; R66-Q70 WeakPolarHBondContact O-CB 3.48Å; R66-Q70 PolarHBondContact O-N 2.98Å
67	I	93.5	Very high	83.2	Confident	4 Å²	4	70.6 Å²	70.6	2%	0.021	35%	0.345	C	S	.	.	H	α-helix	trans	-63.8	-41.6	176.8	-69.4	170.5	0	0	0	109.9	W63 H64 Q70 A71 R113 P793 L821	W63-I67 HydrophobicContact CB-CD1 3.78Å; W63-I67 HydrophobicContact CB-CG1 4.32Å; W63-I67 WeakPolarHBondContact O-CB 3.32Å; W63-I67 WeakPolarHBondContact O-CG1 3.36Å; W63-I67 PolarHBondContact O-N 2.71Å; H64-I67 PolarHBondContact O-N 3.21Å; I67-Q70 PolarHBondContact O-N 3.21Å; I67-A71 WeakPolarHBondContact O-CB 3.25Å; I67-A71 PolarHBondContact O-N 2.83Å; I67-R113 VanDerWaalsContact CG2-NH1 3.29Å; I67-P793 HydrophobicContact CD1-CB 4.15Å; I67-P793 WeakPolarHBondContact CD1-O 3.34Å; I67-L821 HydrophobicContact CD1-CD1 4.46Å; I67-L821 HydrophobicContact CG1-CD1 4.12Å; I67-L821 HydrophobicContact CG2-CD1 3.78Å
68	K	89.9	Confident	82.2	Confident	70 Å²	70	71 Å²	71	30%	0.304	35%	0.349	S	S	.	.	H	α-helix	trans	-61.8	-49.8	175.9	-178.7	-179.4	175.2	180	0	112.2	H64 Q65 R66 Q70 A71 S72 D162	H64-K68 WeakPolarHBondContact O-CB 3.39Å; H64-K68 PolarHBondContact O-N 3.38Å; Q65-K68 WeakPolarHBondContact O-CB 3.42Å; Q65-K68 PolarHBondContact O-N 3.46Å; R66-K68 VanDerWaalsContact C-N 3.31Å; K68-Q70 VanDerWaalsContact C-N 3.29Å; K68-Q70 PolarHBondContact O-N 2.88Å; K68-A71 PolarHBondContact O-N 3.43Å; K68-A71 VanDerWaalsContact O-N 3.12Å; K68-S72 PolarHBondContact O-N 3.03Å; K68-S72 PolarHBondContact O-OG 3.21Å; K68-D162 WeakPolarHBondContact CD-OD1 3.44Å; K68-D162 VanDerWaalsContact CE-OD1 3.27Å; K68-D162 WeakPolarHBondContact CE-OD1 3.43Å; K68-D162 IonicContact NZ-OD1 2.74Å; K68-D162 PolarHBondContact NZ-OD1 2.65Å; K68-D162 IonicContact NZ-OD2 2.8Å
69	E	88	Confident	81.2	Confident	94 Å²	94	77.1 Å²	77.1	44%	0.439	37%	0.374	S	S	.	.	H	α-helix	trans	-61.1	-38.2	177.3	-75	168.2	-171.1	0	0	112.3	Q65 R66 S72 K73	Q65-E69 WeakPolarHBondContact CG-OE1 3.22Å; Q65-E69 PolarHBondContact NE2-OE1 3.49Å; Q65-E69 WeakPolarHBondContact O-CB 3.44Å; Q65-E69 WeakPolarHBondContact O-CG 3.46Å; Q65-E69 PolarHBondContact O-N 2.94Å; R66-E69 PolarHBondContact O-N 2.85Å; E69-S72 WeakPolarHBondContact CA-OG 3.27Å; E69-S72 PolarHBondContact O-OG 2.78Å; E69-K73 WeakPolarHBondContact O-CG 3.38Å; E69-K73 PolarHBondContact O-N 3.22Å
70	Q	84.4	Confident	80.6	Confident	47 Å²	47	82 Å²	82	22%	0.22	41%	0.407	C	S	.	.	H	α-helix	trans	-65.7	-40.7	174.7	-171.4	-169.9	-49.8	0	0	111.3	R66 I67 K68 S819 L822	R66-Q70 VanDerWaalsContact O-CB 3.32Å; R66-Q70 WeakPolarHBondContact O-CB 3.48Å; R66-Q70 PolarHBondContact O-N 2.98Å; I67-Q70 PolarHBondContact O-N 3.21Å; K68-Q70 VanDerWaalsContact C-N 3.29Å; K68-Q70 PolarHBondContact O-N 2.88Å; Q70-S819 PolarHBondContact OE1-OG 3.46Å; Q70-L822 HydrophobicContact CG-CD1 4.45Å; Q70-L822 HydrophobicContact CG-CD2 3.85Å; Q70-L822 HydrophobicContact CG-CG 4.2Å
71	A	82.6	Confident	80.3	Confident	23 Å²	23	85.7 Å²	85.7	19%	0.19	42%	0.423	C	S	.	.	H	α-helix	trans	-70.9	-29.8	179.3	0	0	0	0	0	113.3	I67 K68 K116 C167	I67-A71 WeakPolarHBondContact O-CB 3.25Å; I67-A71 PolarHBondContact O-N 2.83Å; K68-A71 PolarHBondContact O-N 3.43Å; K68-A71 VanDerWaalsContact O-N 3.12Å; A71-K116 PolarHBondContact O-NZ 2.92Å; A71-C167 HydrophobicContact CB-CB 3.62Å
72	S	72	Confident	80.2	Confident	76 Å²	76	81.1 Å²	81.1	53%	0.531	41%	0.411	S	S	.	.	H	α-helix	trans	-82.6	-12.5	-178.7	64	0	0	0	0	114.6	K68 E69 I74	K68-S72 PolarHBondContact O-N 3.03Å; K68-S72 PolarHBondContact O-OG 3.21Å; E69-S72 WeakPolarHBondContact CA-OG 3.27Å; E69-S72 PolarHBondContact O-OG 2.78Å; S72-I74 VanDerWaalsContact C-N 3.3Å; S72-I74 PolarHBondContact O-N 2.94Å
73	K	66.1	Low	80.2	Confident	176 Å²	176	79.3 Å²	79.3	77%	0.765	41%	0.406	S	S	*	.			trans	-71.2	89.4	171.7	-74.8	178.4	-175.1	-177.6	0	109.1	E69 S75	E69-K73 WeakPolarHBondContact O-CG 3.38Å; E69-K73 PolarHBondContact O-N 3.22Å; K73-S75 PolarHBondContact O-N 2.85Å
74	I	55.4	Low	80.3	Confident	90 Å²	90	78.9 Å²	78.9	46%	0.462	40%	0.404	S	S	.	.			trans	-75.5	116.5	172.2	-63.4	170.5	0	0	0	106.9	S72 E76 D171	S72-I74 VanDerWaalsContact C-N 3.3Å; S72-I74 PolarHBondContact O-N 2.94Å; I74-E76 PolarHBondContact O-N 3Å; I74-D171 HydrophobicContact CD1-CB 4.12Å; I74-D171 WeakPolarHBondContact CD1-OD1 3.49Å; I74-D171 WeakPolarHBondContact CD1-OD2 3.14Å
75	S	53.4	Low	80.5	Confident	61 Å²	61	77.3 Å²	77.3	43%	0.427	40%	0.397	S	S	.	.			trans	-59.5	132	157.7	175.3	0	0	0	0	106.5	K73 A77	K73-S75 PolarHBondContact O-N 2.85Å; S75-A77 PolarHBondContact O-N 3.44Å
76	E	58	Low	80.7	Confident	179 Å²	179	73.1 Å²	73.1	84%	0.836	38%	0.378	S	S	*	.			trans	-42.5	138.6	158.4	-71.2	-178.6	167	0	0	108.2	I74 D78	I74-E76 PolarHBondContact O-N 3Å; E76-D78 VanDerWaalsContact C-N 3.31Å; E76-D78 PolarHBondContact O-N 2.82Å
77	A	62.5	Low	81	Confident	50 Å²	50	68.1 Å²	68.1	41%	0.413	36%	0.358	S	S	.	.			trans	-58.3	95.6	-172.4	0	0	0	0	0	109.6	S75 K79 Y550	S75-A77 PolarHBondContact O-N 3.44Å; A77-K79 VanDerWaalsContact C-N 3.34Å; A77-K79 PolarHBondContact O-N 3.49Å; A77-Y550 HydrophobicContact CB-CE1 4.49Å
78	D	71.1	Confident	81.2	Confident	60 Å²	60	68 Å²	68	32%	0.321	36%	0.358	S	S	.	.			trans	-72.1	96.3	173.8	176.5	2.8	0	0	0	106.5	E76 S80 K81	E76-D78 VanDerWaalsContact C-N 3.31Å; E76-D78 PolarHBondContact O-N 2.82Å; D78-S80 PolarHBondContact O-N 3.25Å; D78-S80 VanDerWaalsContact OD1-CB 3.26Å; D78-S80 WeakPolarHBondContact OD1-CB 3.49Å; D78-S80 PolarHBondContact OD1-N 3.11Å; D78-S80 VanDerWaalsContact OD1-N 3.08Å; D78-S80 PolarHBondContact OD1-OG 2.99Å; D78-S80 PolarHBondContact OD2-OG 2.86Å; D78-K81 HydrophobicContact CB-CD 4.45Å; D78-K81 PolarHBondContact O-N 2.96Å; D78-K81 WeakPolarHBondContact OD2-CE 3.43Å
79	K	73.6	Confident	81.5	Confident	172 Å²	172	65.7 Å²	65.7	75%	0.748	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.6	-10.5	-177.4	-64.8	-175	179.4	-178.3	0	113	A77 K81 Y550	A77-K79 VanDerWaalsContact C-N 3.34Å; A77-K79 PolarHBondContact O-N 3.49Å; K79-K81 VanDerWaalsContact C-N 3.29Å; K79-Y550 HydrophobicContact CG-CE2 4.35Å
80	S	83.7	Confident	81.9	Confident	101 Å²	101	62 Å²	62	71%	0.706	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.9	-21	172.5	75.6	0	0	0	0	113.1	D78	D78-S80 PolarHBondContact O-N 3.25Å; D78-S80 VanDerWaalsContact OD1-CB 3.26Å; D78-S80 WeakPolarHBondContact OD1-CB 3.49Å; D78-S80 PolarHBondContact OD1-N 3.11Å; D78-S80 VanDerWaalsContact OD1-N 3.08Å; D78-S80 PolarHBondContact OD1-OG 2.99Å; D78-S80 PolarHBondContact OD2-OG 2.86Å
81	K	87.4	Confident	82.3	Confident	89 Å²	89	59.9 Å²	59.9	39%	0.387	32%	0.322	S	S	.	.	S	Bend	trans	-92.6	143.3	179.6	-69.6	178.2	-173.8	173.2	0	111.3	D78 K79 Q121	D78-K81 HydrophobicContact CB-CD 4.45Å; D78-K81 PolarHBondContact O-N 2.96Å; D78-K81 WeakPolarHBondContact OD2-CE 3.43Å; K79-K81 VanDerWaalsContact C-N 3.29Å; K81-Q121 HydrophobicContact CB-CG 3.73Å; K81-Q121 HydrophobicContact CD-CG 4.42Å
82	P	93.5	Very high	82.7	Confident	78 Å²	78	61.9 Å²	61.9	51%	0.506	33%	0.325	S	S	.	.	P	Polyproline II helix	trans	-64.8	140.8	175.1	28.4	-34.5	0	0	0	110.6	M120 Q121	P82-M120 HydrophobicContact CB-CE 4Å; P82-M120 HydrophobicContact CG-CE 4.26Å; P82-M120 HydrophobicContact CG-CG 4.27Å; P82-M120 CarbonylContact O-C 3.53Å; P82-M120 VanDerWaalsContact O-CA 3.31Å; P82-M120 WeakPolarHBondContact O-CA 3.29Å; P82-M120 WeakPolarHBondContact O-CB 3.34Å; P82-Q121 PolarHBondContact O-N 3.34Å
83	K	94.7	Very high	83.5	Confident	38 Å²	38	58.3 Å²	58.3	17%	0.165	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	153.4	177.8	70	91.2	176.1	172.5	0	111.9	M120 Q121 Y550 W551 P553 D555	K83-M120 VanDerWaalsContact O-CE 3.27Å; K83-M120 WeakPolarHBondContact O-CE 3.33Å; K83-Q121 CarbonylContact C-O 3.56Å; K83-Q121 WeakPolarHBondContact CA-O 3.41Å; K83-Y550 HydrophobicContact CB-CE1 4.11Å; K83-Y550 WeakPolarHBondContact CG-O 3.07Å; K83-W551 HydrophobicContact CB-CE3 4.02Å; K83-W551 HydrophobicContact CB-CZ3 3.83Å; K83-W551 HydrophobicContact CD-CE3 4.33Å; K83-W551 VanDerWaalsContact CE-O 3.28Å; K83-W551 WeakPolarHBondContact CE-O 3.48Å; K83-W551 PolarHBondContact NZ-O 3.34Å; K83-P553 PolarHBondContact NZ-O 2.71Å; K83-D555 WeakPolarHBondContact CD-OD2 3.46Å; K83-D555 IonicContact NZ-OD1 2.74Å; K83-D555 PolarHBondContact NZ-OD1 3.37Å; K83-D555 IonicContact NZ-OD2 2.82Å; K83-D555 PolarHBondContact NZ-OD2 3.47Å
84	Y	97	Very high	83.9	Confident	22 Å²	22	51.5 Å²	51.5	9%	0.086	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	113.7	165.8	-156.8	-88.9	0	0	0	110.5	V86 I111 Q115 M120 Q121 V122 I123 D555 L556	Y84-V86 HydrophobicContact CD1-CB 4.14Å; Y84-V86 HydrophobicContact CE1-CB 4.01Å; Y84-I111 HydrophobicContact CE1-CG2 4.03Å; Y84-Q115 HydrophobicContact CD1-CB 4.27Å; Y84-Q115 HydrophobicContact CD1-CG 3.69Å; Y84-Q115 HydrophobicContact CD2-CG 4.05Å; Y84-Q115 HydrophobicContact CE1-CG 3.86Å; Y84-Q115 HydrophobicContact CE2-CG 4.21Å; Y84-Q115 HydrophobicContact CG-CB 4.16Å; Y84-Q115 HydrophobicContact CG-CG 3.77Å; Y84-M120 HydrophobicContact CD2-CE 3.83Å; Y84-M120 HydrophobicContact CD2-SD 3.89Å; Y84-M120 HydrophobicContact CG-CE 4.37Å; Y84-M120 HydrophobicContact CG-SD 4.23Å; Y84-Q121 PolarHBondContact N-O 2.86Å; Y84-V122 VanDerWaalsContact O-CA 3.28Å; Y84-V122 WeakPolarHBondContact O-CA 3.33Å; Y84-I123 PolarHBondContact O-N 2.85Å; Y84-D555 WeakPolarHBondContact CA-OD2 3.15Å; Y84-D555 HydrophobicContact CD1-CB 4.35Å; Y84-D555 HydrophobicContact CD2-CB 3.93Å; Y84-D555 HydrophobicContact CE1-CB 4.2Å; Y84-D555 HydrophobicContact CE2-CB 3.76Å; Y84-D555 HydrophobicContact CG-CB 4.25Å; Y84-L556 HydrophobicContact CE1-CB 4.21Å
85	Y	97.9	Very high	85.2	Confident	0 Å²	0	47.6 Å²	47.6	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	101.1	174	-171	-0.9	0	0	0	108.9	L87 I123 P125 Y530 Y533 T534 W551 M552 V554 D555 L556	Y85-L87 HydrophobicContact CD1-CB 4.27Å; Y85-L87 HydrophobicContact CE1-CB 3.81Å; Y85-L87 HydrophobicContact CE1-CD1 4.27Å; Y85-L87 HydrophobicContact CE1-CD2 4.35Å; Y85-L87 HydrophobicContact CE1-CG 4.38Å; Y85-I123 HydrophobicContact CD1-CD1 3.63Å; Y85-I123 HydrophobicContact CD1-CG1 3.49Å; Y85-I123 VanDerWaalsContact CD1-CG1 3.49Å; Y85-I123 HydrophobicContact CD2-CD1 3.8Å; Y85-I123 HydrophobicContact CD2-CG1 4.4Å; Y85-I123 HydrophobicContact CE1-CD1 3.79Å; Y85-I123 HydrophobicContact CE1-CG1 4Å; Y85-I123 HydrophobicContact CE2-CD1 3.94Å; Y85-I123 HydrophobicContact CG-CD1 3.64Å; Y85-I123 HydrophobicContact CG-CG1 3.73Å; Y85-P125 HydrophobicContact CE1-CG 3.58Å; Y85-Y530 PolarHBondContact OH-O 3.21Å; Y85-Y530 VanDerWaalsContact OH-O 3.09Å; Y85-Y533 WeakPolarHBondContact OH-CB 3.23Å; Y85-Y533 WeakPolarHBondContact OH-CD2 3.42Å; Y85-T534 HydrophobicContact CE2-CG2 4.23Å; Y85-W551 HydrophobicContact CD2-CB 4.27Å; Y85-M552 HydrophobicContact CD2-SD 4.14Å; Y85-M552 HydrophobicContact CE2-SD 3.97Å; Y85-V554 HydrophobicContact CD1-CG1 4.48Å; Y85-V554 HydrophobicContact CD2-CB 4.38Å; Y85-V554 HydrophobicContact CD2-CG2 3.8Å; Y85-V554 HydrophobicContact CE2-CG2 3.74Å; Y85-V554 HydrophobicContact CG-CB 4.5Å; Y85-V554 HydrophobicContact CG-CG1 4.4Å; Y85-V554 HydrophobicContact CG-CG2 4.27Å; Y85-V554 WeakPolarHBondContact O-CG1 3.42Å; Y85-D555 PolarHBondContact N-OD2 3.24Å; Y85-D555 PolarHBondContact O-N 3.12Å; Y85-L556 PolarHBondContact O-N 3.49Å
86	V	97.9	Very high	86.7	Confident	0 Å²	0	49.7 Å²	49.7	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	131.8	168.7	59.6	0	0	0	0	109.1	Y84 I111 A112 V122 I123 N124 L556 I558	Y84-V86 HydrophobicContact CD1-CB 4.14Å; Y84-V86 HydrophobicContact CE1-CB 4.01Å; V86-I111 HydrophobicContact CG2-CG2 4.34Å; V86-A112 HydrophobicContact CG1-CB 3.79Å; V86-V122 HydrophobicContact CG1-CG1 4.2Å; V86-I123 PolarHBondContact N-O 2.92Å; V86-N124 HydrophobicContact CG1-CB 3.74Å; V86-N124 WeakPolarHBondContact O-CA 2.94Å; V86-L556 HydrophobicContact CG2-CD2 4.35Å; V86-I558 HydrophobicContact CG2-CD1 3.82Å
87	L	98.4	Very high	88.2	Confident	0 Å²	0	41.4 Å²	41.4	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	128.2	-177.1	179.1	62.5	0	0	0	110.1	Y85 P125 Y529 Y533 V554 L556 Y557 I558	Y85-L87 HydrophobicContact CD1-CB 4.27Å; Y85-L87 HydrophobicContact CE1-CB 3.81Å; Y85-L87 HydrophobicContact CE1-CD1 4.27Å; Y85-L87 HydrophobicContact CE1-CD2 4.35Å; Y85-L87 HydrophobicContact CE1-CG 4.38Å; L87-P125 HydrophobicContact CD1-CG 3.9Å; L87-Y529 HydrophobicContact CD1-CE2 4.32Å; L87-Y529 HydrophobicContact CD2-CE2 4.34Å; L87-Y533 HydrophobicContact CD1-CD2 3.96Å; L87-Y533 HydrophobicContact CD1-CE2 3.71Å; L87-V554 HydrophobicContact CB-CG1 3.7Å; L87-V554 HydrophobicContact CD2-CG2 4.05Å; L87-L556 PolarHBondContact N-O 3.4Å; L87-Y557 HydrophobicContact CB-CD2 3.92Å; L87-Y557 HydrophobicContact CB-CE2 4.34Å; L87-Y557 HydrophobicContact CD2-CD2 3.76Å; L87-Y557 HydrophobicContact CD2-CE2 3.54Å; L87-Y557 HydrophobicContact CG-CD2 3.78Å; L87-Y557 HydrophobicContact CG-CE2 3.68Å; L87-Y557 CarbonylContact O-C 3.52Å; L87-Y557 WeakPolarHBondContact O-CA 3.31Å; L87-I558 PolarHBondContact O-N 2.58Å
88	S	97.4	Very high	89.5	Confident	1 Å²	1	40.8 Å²	40.8	1%	0.007	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	147.6	167.2	46.7	0	0	0	0	110	F90 Y105 M126 I558	S88-F90 PolarHBondContact O-N 3.48Å; S88-F90 VanDerWaalsContact O-N 3.08Å; S88-Y105 WeakPolarHBondContact OG-CD1 3.41Å; S88-M126 VanDerWaalsContact OG-CE 3.32Å; S88-M126 WeakPolarHBondContact OG-CE 3.49Å; S88-I558 WeakPolarHBondContact CA-O 3.47Å
89	M	96.3	Very high	90.4	Very high	22 Å²	22	37.9 Å²	37.9	11%	0.108	19%	0.192	C	C	.	.	P	Polyproline II helix	trans	-53.7	116.6	168.5	-76	176.5	-173.4	0	0	109.6	Y105 Y557 I558 G559 H563 L568	M89-Y105 WeakPolarHBondContact O-CE1 3.22Å; M89-Y105 PolarHBondContact O-OH 2.98Å; M89-Y557 HydrophobicContact CE-CD1 4.32Å; M89-Y557 HydrophobicContact CE-CE1 3.49Å; M89-Y557 VanDerWaalsContact CE-CE1 3.49Å; M89-Y557 HydrophobicContact CG-CE1 3.77Å; M89-Y557 WeakPolarHBondContact CG-OH 3.28Å; M89-Y557 HydrophobicContact SD-CE1 4.49Å; M89-I558 PolarHBondContact N-O 3.13Å; M89-G559 WeakPolarHBondContact SD-CA 3.49Å; M89-H563 HydrophobicContact CE-CB 3.66Å; M89-H563 HydrophobicContact SD-CB 4.17Å; M89-H563 PolarHBondContact SD-CD2 3.21Å; M89-L568 HydrophobicContact CE-CD2 4.25Å; M89-L568 HydrophobicContact CE-CG 4.31Å
90	F	95.7	Very high	91.1	Very high	16 Å²	16	30.5 Å²	30.5	7%	0.07	17%	0.165	C	C	.	.	P	Polyproline II helix	trans	-65	151.5	178.3	68	-11.3	0	0	0	111.9	S88 M126 D129 I174 T176 Y529	S88-F90 PolarHBondContact O-N 3.48Å; S88-F90 VanDerWaalsContact O-N 3.08Å; F90-M126 HydrophobicContact CB-SD 4.1Å; F90-D129 HydrophobicContact CD1-CB 3.94Å; F90-D129 HydrophobicContact CD2-CB 4.49Å; F90-D129 HydrophobicContact CE1-CB 3.41Å; F90-D129 VanDerWaalsContact CE1-CB 3.41Å; F90-D129 HydrophobicContact CE2-CB 4.04Å; F90-D129 HydrophobicContact CG-CB 4.45Å; F90-D129 HydrophobicContact CZ-CB 3.46Å; F90-D129 VanDerWaalsContact CZ-CB 3.46Å; F90-I174 HydrophobicContact CE2-CD1 4.48Å; F90-T176 HydrophobicContact CE2-CG2 3.72Å; F90-T176 HydrophobicContact CZ-CG2 3.94Å; F90-Y529 HydrophobicContact CB-CE2 4.16Å; F90-Y529 HydrophobicContact CD1-CD2 4.17Å; F90-Y529 AromaticContact CD1-CE2 3.78Å; F90-Y529 HydrophobicContact CD1-CE2 3.78Å; F90-Y529 AromaticContact CD2-CD2 3.59Å; F90-Y529 HydrophobicContact CD2-CD2 3.59Å; F90-Y529 AromaticContact CD2-CE2 3.84Å; F90-Y529 HydrophobicContact CD2-CE2 3.84Å; F90-Y529 HydrophobicContact CD2-CG 4.44Å; F90-Y529 HydrophobicContact CE1-CD2 4.16Å; F90-Y529 HydrophobicContact CE1-CE2 4.11Å; F90-Y529 HydrophobicContact CE1-CG 4.4Å; F90-Y529 AromaticContact CE2-CD2 3.57Å; F90-Y529 HydrophobicContact CE2-CD2 3.57Å; F90-Y529 HydrophobicContact CE2-CE2 4.15Å; F90-Y529 AromaticContact CE2-CG 3.98Å; F90-Y529 HydrophobicContact CE2-CG 3.98Å; F90-Y529 AromaticContact CG-CD2 3.92Å; F90-Y529 HydrophobicContact CG-CD2 3.92Å; F90-Y529 AromaticContact CG-CE2 3.65Å; F90-Y529 HydrophobicContact CG-CE2 3.65Å; F90-Y529 HydrophobicContact CZ-CD1 4.48Å; F90-Y529 AromaticContact CZ-CD2 3.88Å; F90-Y529 HydrophobicContact CZ-CD2 3.88Å; F90-Y529 HydrophobicContact CZ-CE2 4.29Å; F90-Y529 AromaticContact CZ-CG 3.97Å; F90-Y529 HydrophobicContact CZ-CG 3.97Å
91	P	93.4	Very high	91.5	Very high	4 Å²	4	27.3 Å²	27.3	3%	0.026	14%	0.139	C	C	.	.	P	Polyproline II helix	trans	-86.5	153.4	-173.8	32.2	-32.9	0	0	0	113	Y105 M126 G127 W128 D129 M157	P91-Y105 VanDerWaalsContact CB-OH 3.26Å; P91-Y105 WeakPolarHBondContact CB-OH 3.42Å; P91-Y105 WeakPolarHBondContact CD-OH 3.31Å; P91-Y105 WeakPolarHBondContact CG-OH 3.45Å; P91-M126 VanDerWaalsContact CD-SD 3.52Å; P91-M126 HydrophobicContact CG-SD 4.49Å; P91-G127 WeakPolarHBondContact CD-O 3.43Å; P91-W128 HydrophobicContact CG-CE3 3.86Å; P91-W128 HydrophobicContact CG-CZ3 3.8Å; P91-D129 PolarHBondContact O-N 3.06Å; P91-D129 VanDerWaalsContact O-N 3.07Å; P91-M157 HydrophobicContact CB-CE 3.56Å; P91-M157 HydrophobicContact CG-CE 3.66Å
92	Y	90.8	Very high	91.7	Very high	64 Å²	64	23.1 Å²	23.1	25%	0.251	12%	0.121	S	C	.	.	P	Polyproline II helix	trans	-73	125	160.4	-64.3	-76.7	0	0	0	110.3	S94 D129 P134 T522	Y92-S94 PolarHBondContact O-N 2.95Å; Y92-D129 HydrophobicContact CD1-CB 3.86Å; Y92-D129 WeakPolarHBondContact CD1-O 3.43Å; Y92-D129 HydrophobicContact CE1-CB 3.95Å; Y92-D129 VanDerWaalsContact CE1-OD2 3.28Å; Y92-D129 WeakPolarHBondContact CE1-OD2 3.39Å; Y92-P134 HydrophobicContact CD1-CG 4.49Å; Y92-T522 HydrophobicContact CE1-CG2 4.38Å
93	P	90.1	Very high	91.7	Very high	1 Å²	1	19.5 Å²	19.5	1%	0.006	10%	0.097	C	C	.	.			trans	-80.2	55.1	178.5	35.9	-34.8	0	0	0	112	G95 W128 D129 A130 T150 N153 I154 M157	P93-G95 VanDerWaalsContact C-N 3.32Å; P93-G95 PolarHBondContact O-N 3.44Å; P93-W128 HydrophobicContact CB-CE3 4.45Å; P93-W128 HydrophobicContact CG-CB 4.42Å; P93-D129 WeakPolarHBondContact CD-O 3.27Å; P93-A130 HydrophobicContact CG-CB 3.92Å; P93-T150 HydrophobicContact CG-CG2 3.88Å; P93-N153 HydrophobicContact CB-CB 4.12Å; P93-N153 WeakPolarHBondContact O-CB 3.39Å; P93-N153 PolarHBondContact O-ND2 2.94Å; P93-I154 HydrophobicContact CB-CD1 4.49Å; P93-I154 HydrophobicContact CB-CG1 3.64Å; P93-I154 HydrophobicContact CG-CD1 4.38Å; P93-I154 HydrophobicContact CG-CG1 4.04Å; P93-M157 HydrophobicContact CB-SD 4.17Å
94	S	74.2	Confident	91.7	Very high	34 Å²	34	18.2 Å²	18.2	24%	0.238	9%	0.092	C	C	.	.	S	Bend	trans	-87.1	4.6	-178.1	62.2	0	0	0	0	113.6	Y92 K642	Y92-S94 PolarHBondContact O-N 2.95Å; S94-K642 PolarHBondContact O-NZ 3.22Å; S94-K642 PolarHBondContact OG-NZ 2.6Å
95	G	81.6	Confident	91.7	Very high	8 Å²	8	17.3 Å²	17.3	8%	0.082	9%	0.089	C	C	.	.	S	Bend	trans	152.5	-127.4	-178.8	0	0	0	0	0	111.6	P93 N153 M157	P93-G95 VanDerWaalsContact C-N 3.32Å; P93-G95 PolarHBondContact O-N 3.44Å; G95-N153 PolarHBondContact N-ND2 2.82Å; G95-M157 VanDerWaalsContact O-CG 3.25Å; G95-M157 WeakPolarHBondContact O-CG 2.9Å
96	K	86.1	Confident	91.7	Very high	104 Å²	104	17.4 Å²	17.4	45%	0.452	9%	0.089	S	C	.	.			trans	-95.3	158.6	180	-55.9	-172.1	175.5	179.8	0	113.9	D649	K96-D649 IonicContact NZ-OD2 3.9Å
97	L	89.9	Confident	91.7	Very high	6 Å²	6	17.5 Å²	17.5	3%	0.031	9%	0.09	C	C	.	.			trans	-65.6	160.4	166.4	-61.8	179.4	0	0	0	111.8	H101 Y105 M157 Q160 L161 L164 P650	L97-H101 HydrophobicContact CB-CB 4.41Å; L97-H101 HydrophobicContact CD2-CB 3.83Å; L97-Y105 HydrophobicContact CD2-CE2 4.38Å; L97-M157 HydrophobicContact CD2-CB 4.46Å; L97-M157 HydrophobicContact CD2-CE 3.51Å; L97-M157 HydrophobicContact CD2-CG 4.28Å; L97-M157 HydrophobicContact CG-CB 4.36Å; L97-M157 HydrophobicContact CG-CE 4.42Å; L97-M157 HydrophobicContact CG-CG 4.2Å; L97-Q160 HydrophobicContact CD1-CB 3.63Å; L97-Q160 HydrophobicContact CG-CB 4.24Å; L97-L161 HydrophobicContact CD1-CD2 3.55Å; L97-L161 HydrophobicContact CD1-CG 3.84Å; L97-L164 HydrophobicContact CD1-CD1 4.12Å; L97-P650 HydrophobicContact CB-CG 4.32Å; L97-P650 WeakPolarHBondContact O-CD 3.19Å
98	H	88.3	Confident	91.6	Very high	36 Å²	36	17.5 Å²	17.5	17%	0.167	9%	0.09	C	C	.	.			trans	-139.6	168.9	173.3	57.5	60.3	0	0	0	109.1	G100 H101 V102	H98-G100 WeakPolarHBondContact ND1-CA 3.39Å; H98-G100 PolarHBondContact ND1-N 3.02Å; H98-G100 VanDerWaalsContact ND1-N 3.12Å; H98-G100 PolarHBondContact O-N 3.13Å; H98-G100 VanDerWaalsContact O-N 3.07Å; H98-H101 AromaticContact CD2-CE1 3.49Å; H98-H101 PolarHBondContact CD2-CE1 3.1Å; H98-H101 VanDerWaalsContact CD2-CE1 3.49Å; H98-H101 AromaticContact CD2-ND1 3.41Å; H98-H101 PolarHBondContact CD2-ND1 3.14Å; H98-H101 AromaticContact CE1-CE1 3.52Å; H98-H101 AromaticContact CE1-CG 3.97Å; H98-H101 AromaticContact CE1-ND1 3.25Å; H98-H101 PolarHBondContact CE1-ND1 3.43Å; H98-H101 VanDerWaalsContact CE1-ND1 3.25Å; H98-H101 AromaticContact CG-ND1 3.47Å; H98-H101 PolarHBondContact N-ND1 2.89Å; H98-H101 PolarHBondContact ND1-N 3.41Å; H98-H101 AromaticContact ND1-ND1 3.37Å; H98-H101 PolarHBondContact ND1-ND1 3.39Å; H98-H101 AromaticContact NE2-CE1 3.12Å; H98-H101 PolarHBondContact NE2-CE1 2.85Å; H98-H101 AromaticContact NE2-ND1 3.27Å; H98-H101 PolarHBondContact NE2-ND1 3.27Å; H98-H101 WeakPolarHBondContact O-CB 3.19Å; H98-H101 PolarHBondContact O-N 2.9Å; H98-V102 PolarHBondContact O-N 3.47Å
99	M	89.8	Confident	91.6	Very high	0 Å²	0	17.5 Å²	17.5	0%	0	9%	0.09	C	C	.	.	H	α-helix	trans	-56.3	-30.3	-176	-66.5	-49.6	-58.1	0	0	115	H101 V102 R103 I599 M640 V648 P650 V653 I662 I666 W678	M99-H101 VanDerWaalsContact C-N 3.34Å; M99-H101 PolarHBondContact O-N 3.27Å; M99-V102 HydrophobicContact CE-CB 4.06Å; M99-V102 HydrophobicContact CE-CG1 4.25Å; M99-V102 HydrophobicContact CE-CG2 4.2Å; M99-V102 PolarHBondContact O-N 3.13Å; M99-V102 HydrophobicContact SD-CG2 4.02Å; M99-R103 PolarHBondContact O-N 3.03Å; M99-I599 HydrophobicContact CB-CG2 4.05Å; M99-M640 HydrophobicContact CB-SD 4.03Å; M99-V648 HydrophobicContact CG-CB 4Å; M99-V648 HydrophobicContact CG-CG1 4.15Å; M99-P650 HydrophobicContact SD-CB 3.94Å; M99-P650 HydrophobicContact SD-CG 3.97Å; M99-V653 HydrophobicContact SD-CG2 4.3Å; M99-I662 HydrophobicContact CE-CG2 3.64Å; M99-I666 HydrophobicContact CE-CD1 3.71Å; M99-I666 HydrophobicContact CE-CG1 4.2Å; M99-W678 HydrophobicContact CB-CE3 4.27Å; M99-W678 HydrophobicContact CB-CZ3 4.18Å; M99-W678 HydrophobicContact CE-CH2 3.67Å; M99-W678 HydrophobicContact CE-CZ3 3.57Å; M99-W678 HydrophobicContact CG-CD2 4.49Å; M99-W678 HydrophobicContact CG-CE3 4.09Å; M99-W678 HydrophobicContact CG-CH2 3.87Å; M99-W678 HydrophobicContact CG-CZ2 4.27Å; M99-W678 HydrophobicContact CG-CZ3 3.76Å; M99-W678 HydrophobicContact SD-CH2 4.07Å; M99-W678 HydrophobicContact SD-CZ3 4.28Å
100	G	88.8	Confident	91.7	Very high	17 Å²	17	16.5 Å²	16.5	18%	0.175	9%	0.085	C	C	.	.	H	α-helix	trans	-53.6	-43.7	168.6	0	0	0	0	0	114.3	H98 R103 V104	H98-G100 WeakPolarHBondContact ND1-CA 3.39Å; H98-G100 PolarHBondContact ND1-N 3.02Å; H98-G100 VanDerWaalsContact ND1-N 3.12Å; H98-G100 PolarHBondContact O-N 3.13Å; H98-G100 VanDerWaalsContact O-N 3.07Å; G100-R103 PolarHBondContact O-N 3.49Å; G100-V104 VanDerWaalsContact O-CG2 3.26Å; G100-V104 WeakPolarHBondContact O-CG2 3.43Å
101	H	91.4	Very high	91.8	Very high	33 Å²	33	15.7 Å²	15.7	15%	0.153	8%	0.081	C	C	.	.	H	α-helix	trans	-66.1	-44.6	175.3	-67.4	106.4	0	0	0	111.5	L97 H98 M99 R103 V104 Y105	L97-H101 HydrophobicContact CB-CB 4.41Å; L97-H101 HydrophobicContact CD2-CB 3.83Å; H98-H101 AromaticContact CD2-CE1 3.49Å; H98-H101 PolarHBondContact CD2-CE1 3.1Å; H98-H101 VanDerWaalsContact CD2-CE1 3.49Å; H98-H101 AromaticContact CD2-ND1 3.41Å; H98-H101 PolarHBondContact CD2-ND1 3.14Å; H98-H101 AromaticContact CE1-CE1 3.52Å; H98-H101 AromaticContact CE1-CG 3.97Å; H98-H101 AromaticContact CE1-ND1 3.25Å; H98-H101 PolarHBondContact CE1-ND1 3.43Å; H98-H101 VanDerWaalsContact CE1-ND1 3.25Å; H98-H101 AromaticContact CG-ND1 3.47Å; H98-H101 PolarHBondContact N-ND1 2.89Å; H98-H101 PolarHBondContact ND1-N 3.41Å; H98-H101 AromaticContact ND1-ND1 3.37Å; H98-H101 PolarHBondContact ND1-ND1 3.39Å; H98-H101 AromaticContact NE2-CE1 3.12Å; H98-H101 PolarHBondContact NE2-CE1 2.85Å; H98-H101 AromaticContact NE2-ND1 3.27Å; H98-H101 PolarHBondContact NE2-ND1 3.27Å; H98-H101 WeakPolarHBondContact O-CB 3.19Å; H98-H101 PolarHBondContact O-N 2.9Å; M99-H101 VanDerWaalsContact C-N 3.34Å; M99-H101 PolarHBondContact O-N 3.27Å; H101-R103 PolarHBondContact O-N 3.32Å; H101-V104 PolarHBondContact O-N 3.5Å; H101-Y105 HydrophobicContact CB-CD2 4.12Å; H101-Y105 HydrophobicContact CB-CE2 3.72Å; H101-Y105 WeakPolarHBondContact O-CD2 3.43Å; H101-Y105 VanDerWaalsContact O-CG 3.27Å; H101-Y105 PolarHBondContact O-N 3.32Å; H101-Y105 VanDerWaalsContact O-N 3.12Å
102	V	93.2	Very high	92	Very high	2 Å²	2	15.7 Å²	15.7	1%	0.012	8%	0.082	C	C	.	.	H	α-helix	trans	-58.4	-36	-179.7	-167.2	0	0	0	0	110.7	H98 M99 T106 L164 P650 I662 I666	H98-V102 PolarHBondContact O-N 3.47Å; M99-V102 HydrophobicContact CE-CB 4.06Å; M99-V102 HydrophobicContact CE-CG1 4.25Å; M99-V102 HydrophobicContact CE-CG2 4.2Å; M99-V102 PolarHBondContact O-N 3.13Å; M99-V102 HydrophobicContact SD-CG2 4.02Å; V102-T106 WeakPolarHBondContact O-CB 3.43Å; V102-T106 PolarHBondContact O-N 3.44Å; V102-T106 PolarHBondContact O-OG1 3.12Å; V102-L164 HydrophobicContact CG1-CD1 4.34Å; V102-L164 HydrophobicContact CG1-CD2 4.12Å; V102-L164 HydrophobicContact CG2-CD1 3.91Å; V102-L164 HydrophobicContact CG2-CD2 4.37Å; V102-P650 HydrophobicContact CG2-CB 3.69Å; V102-P650 HydrophobicContact CG2-CG 3.5Å; V102-I662 HydrophobicContact CG1-CG2 4.37Å; V102-I666 HydrophobicContact CB-CD1 3.75Å; V102-I666 HydrophobicContact CG1-CD1 3.31Å
103	R	93.7	Very high	92.3	Very high	2 Å²	2	13.5 Å²	13.5	1%	0.008	7%	0.073	C	C	.	.	H	α-helix	trans	-58.1	-57.6	175.9	-176.5	173.4	-165.9	-177.6	7.5	112.6	M99 G100 H101 Y105 T106 I107 G597 I599 I666 P671 P672 K674 I676	M99-R103 PolarHBondContact O-N 3.03Å; G100-R103 PolarHBondContact O-N 3.49Å; H101-R103 PolarHBondContact O-N 3.32Å; R103-Y105 VanDerWaalsContact C-N 3.28Å; R103-Y105 PolarHBondContact O-N 2.88Å; R103-T106 PolarHBondContact O-N 2.8Å; R103-I107 HydrophobicContact CG-CD1 4Å; R103-I107 WeakPolarHBondContact O-CD1 3.46Å; R103-I107 VanDerWaalsContact O-CG1 3.28Å; R103-I107 WeakPolarHBondContact O-CG1 3.07Å; R103-I107 PolarHBondContact O-N 2.86Å; R103-I107 VanDerWaalsContact O-N 3.15Å; R103-G597 PolarHBondContact NH1-O 3.45Å; R103-I599 HydrophobicContact CB-CD1 4.39Å; R103-I599 HydrophobicContact CB-CG1 4.13Å; R103-I666 HydrophobicContact CB-CG2 3.98Å; R103-I666 HydrophobicContact CG-CG2 3.9Å; R103-P671 PolarHBondContact NH2-O 3.29Å; R103-P672 PolarHBondContact NH2-O 2.59Å; R103-P672 VanDerWaalsContact NH2-O 3.14Å; R103-K674 PolarHBondContact NH1-O 3.16Å; R103-K674 PolarHBondContact NH2-O 3.32Å; R103-I676 VanDerWaalsContact CZ-CD1 3.48Å
104	V	94.6	Very high	92.7	Very high	10 Å²	10	13.4 Å²	13.4	6%	0.061	7%	0.072	C	C	.	.	H	α-helix	trans	-54.4	-49.1	-179.2	-165.3	0	0	0	0	110.6	G100 H101 I107 S108 I558 Q596	G100-V104 VanDerWaalsContact O-CG2 3.26Å; G100-V104 WeakPolarHBondContact O-CG2 3.43Å; H101-V104 PolarHBondContact O-N 3.5Å; V104-I107 PolarHBondContact O-N 3.34Å; V104-S108 PolarHBondContact O-N 3Å; V104-S108 VanDerWaalsContact O-N 3.08Å; V104-I558 HydrophobicContact CG1-CG2 4Å; V104-Q596 VanDerWaalsContact CG1-OE1 3.26Å; V104-Q596 VanDerWaalsContact CG2-CD 3.45Å; V104-Q596 VanDerWaalsContact CG2-OE1 3.26Å
105	Y	96.8	Very high	93.8	Very high	4 Å²	4	12 Å²	12	2%	0.016	6%	0.062	C	C	.	.	H	α-helix	trans	-75.7	-35.5	-170	-60.1	-27	0	0	0	112.3	S88 M89 P91 L97 H101 R103 S108 D109 M126 L161 F168	S88-Y105 WeakPolarHBondContact OG-CD1 3.41Å; M89-Y105 WeakPolarHBondContact O-CE1 3.22Å; M89-Y105 PolarHBondContact O-OH 2.98Å; P91-Y105 VanDerWaalsContact CB-OH 3.26Å; P91-Y105 WeakPolarHBondContact CB-OH 3.42Å; P91-Y105 WeakPolarHBondContact CD-OH 3.31Å; P91-Y105 WeakPolarHBondContact CG-OH 3.45Å; L97-Y105 HydrophobicContact CD2-CE2 4.38Å; H101-Y105 HydrophobicContact CB-CD2 4.12Å; H101-Y105 HydrophobicContact CB-CE2 3.72Å; H101-Y105 WeakPolarHBondContact O-CD2 3.43Å; H101-Y105 VanDerWaalsContact O-CG 3.27Å; H101-Y105 PolarHBondContact O-N 3.32Å; H101-Y105 VanDerWaalsContact O-N 3.12Å; R103-Y105 VanDerWaalsContact C-N 3.28Å; R103-Y105 PolarHBondContact O-N 2.88Å; Y105-S108 PolarHBondContact O-N 3.42Å; Y105-S108 PolarHBondContact O-OG 2.83Å; Y105-D109 WeakPolarHBondContact O-CB 3.34Å; Y105-D109 PolarHBondContact O-N 2.85Å; Y105-M126 HydrophobicContact CD1-CE 3.65Å; Y105-M126 HydrophobicContact CE1-CE 3.5Å; Y105-M126 VanDerWaalsContact CE1-CE 3.5Å; Y105-M126 HydrophobicContact CE1-SD 4.45Å; Y105-M126 HydrophobicContact CG-CE 4.39Å; Y105-L161 HydrophobicContact CD2-CD2 3.49Å; Y105-L161 VanDerWaalsContact CD2-CD2 3.49Å; Y105-L161 HydrophobicContact CE2-CD2 4Å; Y105-L161 HydrophobicContact CG-CD2 4.35Å; Y105-F168 HydrophobicContact CD1-CZ 4.24Å; Y105-F168 HydrophobicContact CG-CZ 4.05Å
106	T	97.2	Very high	94.4	Very high	1 Å²	1	15.8 Å²	15.8	1%	0.006	8%	0.076	C	C	.	.	H	α-helix	trans	-62.9	-43.5	172.6	-58.4	0	0	0	0	111	V102 R103 S108 D109 T110 R663 I666 L667	V102-T106 WeakPolarHBondContact O-CB 3.43Å; V102-T106 PolarHBondContact O-N 3.44Å; V102-T106 PolarHBondContact O-OG1 3.12Å; R103-T106 PolarHBondContact O-N 2.8Å; T106-S108 PolarHBondContact O-N 3.45Å; T106-D109 PolarHBondContact O-N 2.89Å; T106-T110 VanDerWaalsContact O-CB 3.3Å; T106-T110 WeakPolarHBondContact O-CB 3.31Å; T106-T110 PolarHBondContact O-N 2.88Å; T106-T110 PolarHBondContact O-OG1 3.42Å; T106-R663 HydrophobicContact CG2-CB 3.85Å; T106-R663 HydrophobicContact CG2-CG 3.94Å; T106-I666 HydrophobicContact CG2-CG2 4.45Å; T106-L667 HydrophobicContact CG2-CD1 4Å; T106-L667 HydrophobicContact CG2-CD2 4.05Å; T106-L667 HydrophobicContact CG2-CG 3.88Å
107	I	97.4	Very high	94.8	Very high	3 Å²	3	11.2 Å²	11.2	2%	0.015	6%	0.057	C	C	.	.	H	α-helix	trans	-59.5	-49.3	176.5	-64.5	163.3	0	0	0	110	R103 V104 D109 T110 I111 I558 L594 L667 P672 L749	R103-I107 HydrophobicContact CG-CD1 4Å; R103-I107 WeakPolarHBondContact O-CD1 3.46Å; R103-I107 VanDerWaalsContact O-CG1 3.28Å; R103-I107 WeakPolarHBondContact O-CG1 3.07Å; R103-I107 PolarHBondContact O-N 2.86Å; R103-I107 VanDerWaalsContact O-N 3.15Å; V104-I107 PolarHBondContact O-N 3.34Å; I107-D109 PolarHBondContact O-N 2.8Å; I107-T110 PolarHBondContact O-N 2.89Å; I107-I111 HydrophobicContact CG2-CD1 3.83Å; I107-I111 WeakPolarHBondContact O-CG1 3.27Å; I107-I111 PolarHBondContact O-N 2.83Å; I107-I558 HydrophobicContact CG2-CD1 3.95Å; I107-I558 HydrophobicContact CG2-CG2 4.4Å; I107-L594 HydrophobicContact CG2-CD2 3.77Å; I107-L667 HydrophobicContact CG1-CD2 3.81Å; I107-P672 HydrophobicContact CD1-CB 4.23Å; I107-L749 HydrophobicContact CG1-CD1 4.49Å; I107-L749 HydrophobicContact CG2-CD1 4.16Å
108	S	97.3	Very high	95.1	Very high	0 Å²	0	16.6 Å²	16.6	0%	0	8%	0.076	C	C	.	.	H	α-helix	trans	-60.6	-44.6	179.8	71.6	0	0	0	0	113	V104 Y105 T106 I111 A112	V104-S108 PolarHBondContact O-N 3Å; V104-S108 VanDerWaalsContact O-N 3.08Å; Y105-S108 PolarHBondContact O-N 3.42Å; Y105-S108 PolarHBondContact O-OG 2.83Å; T106-S108 PolarHBondContact O-N 3.45Å; S108-I111 PolarHBondContact O-N 3.34Å; S108-A112 VanDerWaalsContact O-CB 3.3Å; S108-A112 WeakPolarHBondContact O-CB 3.39Å; S108-A112 PolarHBondContact O-N 3.05Å
109	D	97.6	Very high	95.3	Very high	1 Å²	1	16.8 Å²	16.8	1%	0.005	9%	0.088	C	C	.	.	H	α-helix	trans	-68.1	-39	179.8	172.9	84.8	0	0	0	111.7	Y105 T106 I107 A112 R113 L166 C167 R663	Y105-D109 WeakPolarHBondContact O-CB 3.34Å; Y105-D109 PolarHBondContact O-N 2.85Å; T106-D109 PolarHBondContact O-N 2.89Å; I107-D109 PolarHBondContact O-N 2.8Å; D109-A112 PolarHBondContact O-N 2.98Å; D109-R113 VanDerWaalsContact CG-NE 3.35Å; D109-R113 VanDerWaalsContact O-CG 3.27Å; D109-R113 WeakPolarHBondContact O-CG 3.28Å; D109-R113 PolarHBondContact O-N 3.13Å; D109-R113 IonicContact OD1-CZ 2.59Å; D109-R113 IonicContact OD1-NE 3.97Å; D109-R113 PolarHBondContact OD1-NE 3.18Å; D109-R113 IonicContact OD1-NH2 3.5Å; D109-R113 PolarHBondContact OD1-NH2 3.37Å; D109-R113 IonicContact OD2-CZ 3.5Å; D109-R113 IonicContact OD2-NE 3.14Å; D109-R113 PolarHBondContact OD2-NE 2.68Å; D109-R113 IonicContact OD2-NH2 3.34Å; D109-R113 PolarHBondContact OD2-NH2 3.49Å; D109-L166 HydrophobicContact CB-CD2 3.91Å; D109-C167 WeakPolarHBondContact OD1-CB 3.3Å; D109-C167 PolarHBondContact OD1-N 2.73Å; D109-R663 IonicContact OD2-CZ 3.86Å; D109-R663 IonicContact OD2-NH1 3.83Å; D109-R663 PolarHBondContact OD2-NH1 2.84Å; D109-R663 IonicContact OD2-NH2 3.36Å; D109-R663 PolarHBondContact OD2-NH2 3.33Å
110	T	98.1	Very high	95.5	Very high	0 Å²	0	18.5 Å²	18.5	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-62.8	-45.1	174.7	-76.4	0	0	0	0	111.9	T106 I107 R113 F114 R663 L667 F743 L749 P790 M791	T106-T110 VanDerWaalsContact O-CB 3.3Å; T106-T110 WeakPolarHBondContact O-CB 3.31Å; T106-T110 PolarHBondContact O-N 2.88Å; T106-T110 PolarHBondContact O-OG1 3.42Å; I107-T110 PolarHBondContact O-N 2.89Å; T110-R113 PolarHBondContact O-N 2.89Å; T110-F114 WeakPolarHBondContact O-CB 3.45Å; T110-F114 PolarHBondContact O-N 3.14Å; T110-R663 PolarHBondContact OG1-NH2 3.27Å; T110-L667 HydrophobicContact CG2-CD1 4.15Å; T110-L667 WeakPolarHBondContact OG1-CD1 3.4Å; T110-F743 HydrophobicContact CG2-CE1 3.59Å; T110-F743 HydrophobicContact CG2-CZ 3.92Å; T110-L749 HydrophobicContact CG2-CD1 4.06Å; T110-L749 HydrophobicContact CG2-CD2 4.39Å; T110-P790 WeakPolarHBondContact CA-O 3.5Å; T110-P790 HydrophobicContact CG2-CB 4.17Å; T110-P790 WeakPolarHBondContact O-CB 3.24Å; T110-P790 PolarHBondContact OG1-O 2.82Å; T110-M791 HydrophobicContact CG2-CG 3.68Å
111	I	98.1	Very high	95.7	Very high	0 Å²	0	18.7 Å²	18.7	0%	0	9%	0.093	C	C	.	.	H	α-helix	trans	-67.7	-40.5	177.1	-65.6	172	0	0	0	110.6	Y84 V86 I107 S108 R113 F114 Q115 L556 I558 F747	Y84-I111 HydrophobicContact CE1-CG2 4.03Å; V86-I111 HydrophobicContact CG2-CG2 4.34Å; I107-I111 HydrophobicContact CG2-CD1 3.83Å; I107-I111 WeakPolarHBondContact O-CG1 3.27Å; I107-I111 PolarHBondContact O-N 2.83Å; S108-I111 PolarHBondContact O-N 3.34Å; I111-R113 PolarHBondContact O-N 2.73Å; I111-F114 PolarHBondContact O-N 2.8Å; I111-Q115 HydrophobicContact CG2-CG 4.25Å; I111-Q115 WeakPolarHBondContact O-CG 3.17Å; I111-Q115 PolarHBondContact O-N 3.02Å; I111-L556 HydrophobicContact CD1-CD2 3.34Å; I111-L556 HydrophobicContact CG2-CD2 4.07Å; I111-I558 HydrophobicContact CD1-CD1 4.37Å; I111-F747 HydrophobicContact CD1-CD1 3.67Å; I111-F747 HydrophobicContact CD1-CE1 4.16Å; I111-F747 HydrophobicContact CD1-CG 4.4Å; I111-F747 HydrophobicContact CG1-CD1 4.47Å
112	A	97.1	Very high	95.8	Very high	4 Å²	4	17.8 Å²	17.8	3%	0.033	9%	0.089	C	C	.	.	H	α-helix	trans	-58.4	-46	176.6	0	0	0	0	0	112.1	V86 S108 D109 Q115 K116 V122 N124	V86-A112 HydrophobicContact CG1-CB 3.79Å; S108-A112 VanDerWaalsContact O-CB 3.3Å; S108-A112 WeakPolarHBondContact O-CB 3.39Å; S108-A112 PolarHBondContact O-N 3.05Å; D109-A112 PolarHBondContact O-N 2.98Å; A112-Q115 PolarHBondContact O-N 3.46Å; A112-K116 WeakPolarHBondContact O-CG 3.35Å; A112-K116 PolarHBondContact O-N 3.44Å; A112-V122 HydrophobicContact CB-CG1 4.01Å; A112-N124 HydrophobicContact CB-CB 3.8Å
113	R	96.8	Very high	95.9	Very high	17 Å²	17	18 Å²	18	6%	0.064	9%	0.09	C	C	.	.	H	α-helix	trans	-62.2	-46.7	176.6	-72.2	170	-167.5	-77.2	-6.9	111.6	I67 D109 T110 I111 Q115 K116 M117 G165 C167 P790 L821	I67-R113 VanDerWaalsContact CG2-NH1 3.29Å; D109-R113 VanDerWaalsContact CG-NE 3.35Å; D109-R113 VanDerWaalsContact O-CG 3.27Å; D109-R113 WeakPolarHBondContact O-CG 3.28Å; D109-R113 PolarHBondContact O-N 3.13Å; D109-R113 IonicContact OD1-CZ 2.59Å; D109-R113 IonicContact OD1-NE 3.97Å; D109-R113 PolarHBondContact OD1-NE 3.18Å; D109-R113 IonicContact OD1-NH2 3.5Å; D109-R113 PolarHBondContact OD1-NH2 3.37Å; D109-R113 IonicContact OD2-CZ 3.5Å; D109-R113 IonicContact OD2-NE 3.14Å; D109-R113 PolarHBondContact OD2-NE 2.68Å; D109-R113 IonicContact OD2-NH2 3.34Å; D109-R113 PolarHBondContact OD2-NH2 3.49Å; T110-R113 PolarHBondContact O-N 2.89Å; I111-R113 PolarHBondContact O-N 2.73Å; R113-Q115 PolarHBondContact O-N 3.27Å; R113-K116 PolarHBondContact O-N 2.6Å; R113-M117 VanDerWaalsContact O-CG 3.28Å; R113-M117 WeakPolarHBondContact O-CG 3.33Å; R113-M117 PolarHBondContact O-N 3.5Å; R113-G165 PolarHBondContact NH2-O 3.36Å; R113-C167 PolarHBondContact NH2-SG 2.84Å; R113-P790 HydrophobicContact CB-CB 3.86Å; R113-P790 HydrophobicContact CB-CG 4.34Å; R113-L821 HydrophobicContact CG-CD2 4.47Å; R113-L821 VanDerWaalsContact NH1-CD1 3.34Å
114	F	98	Very high	96	Very high	0 Å²	0	18.1 Å²	18.1	0%	0	9%	0.091	C	C	.	.	H	α-helix	trans	-56.7	-49.4	177	163.4	-102.1	0	0	0	112	T110 I111 K116 M117 R118 T740 F743 T744 P790 W825	T110-F114 WeakPolarHBondContact O-CB 3.45Å; T110-F114 PolarHBondContact O-N 3.14Å; I111-F114 PolarHBondContact O-N 2.8Å; F114-K116 VanDerWaalsContact C-N 3.35Å; F114-K116 PolarHBondContact O-N 3.22Å; F114-M117 PolarHBondContact O-N 2.87Å; F114-M117 VanDerWaalsContact O-N 3.14Å; F114-R118 HydrophobicContact CE2-CG 4.2Å; F114-R118 HydrophobicContact CZ-CG 4.19Å; F114-R118 PolarHBondContact O-N 3.27Å; F114-T740 HydrophobicContact CZ-CG2 4.36Å; F114-F743 HydrophobicContact CB-CD1 3.52Å; F114-F743 HydrophobicContact CB-CE1 3.66Å; F114-F743 HydrophobicContact CB-CG 4.5Å; F114-F743 HydrophobicContact CD1-CB 3.79Å; F114-F743 AromaticContact CD1-CD1 3.68Å; F114-F743 HydrophobicContact CD1-CD1 3.68Å; F114-F743 HydrophobicContact CD1-CG 4.12Å; F114-F743 HydrophobicContact CD2-CB 3.98Å; F114-F743 AromaticContact CD2-CD1 3.71Å; F114-F743 HydrophobicContact CD2-CD1 3.71Å; F114-F743 HydrophobicContact CD2-CE1 4.27Å; F114-F743 AromaticContact CD2-CG 3.86Å; F114-F743 HydrophobicContact CD2-CG 3.86Å; F114-F743 HydrophobicContact CE1-CB 3.5Å; F114-F743 HydrophobicContact CE1-CD1 4.29Å; F114-F743 HydrophobicContact CE1-CG 4.29Å; F114-F743 HydrophobicContact CE2-CB 3.68Å; F114-F743 HydrophobicContact CE2-CD1 4.3Å; F114-F743 HydrophobicContact CE2-CG 4.02Å; F114-F743 HydrophobicContact CG-CB 4.02Å; F114-F743 AromaticContact CG-CD1 3.34Å; F114-F743 HydrophobicContact CG-CD1 3.34Å; F114-F743 AromaticContact CG-CE1 3.96Å; F114-F743 HydrophobicContact CG-CE1 3.96Å; F114-F743 AromaticContact CG-CG 3.9Å; F114-F743 HydrophobicContact CG-CG 3.9Å; F114-F743 HydrophobicContact CZ-CB 3.41Å; F114-F743 VanDerWaalsContact CZ-CB 3.41Å; F114-F743 HydrophobicContact CZ-CG 4.22Å; F114-T744 HydrophobicContact CE1-CG2 3.81Å; F114-T744 HydrophobicContact CZ-CG2 3.73Å; F114-P790 HydrophobicContact CB-CB 4.37Å; F114-P790 HydrophobicContact CB-CG 4.23Å; F114-W825 AromaticContact CD2-CD2 3.76Å; F114-W825 HydrophobicContact CD2-CD2 3.76Å; F114-W825 AromaticContact CD2-CE2 3.86Å; F114-W825 AromaticContact CD2-CE3 3.71Å; F114-W825 HydrophobicContact CD2-CE3 3.71Å; F114-W825 AromaticContact CD2-CH2 3.8Å; F114-W825 HydrophobicContact CD2-CH2 3.8Å; F114-W825 AromaticContact CD2-CZ2 3.88Å; F114-W825 HydrophobicContact CD2-CZ2 3.88Å; F114-W825 AromaticContact CD2-CZ3 3.73Å; F114-W825 HydrophobicContact CD2-CZ3 3.73Å; F114-W825 AromaticContact CE2-CD2 3.73Å; F114-W825 HydrophobicContact CE2-CD2 3.73Å; F114-W825 AromaticContact CE2-CE2 3.5Å; F114-W825 VanDerWaalsContact CE2-CE2 3.5Å; F114-W825 HydrophobicContact CE2-CE3 4.17Å; F114-W825 HydrophobicContact CE2-CG 4.21Å; F114-W825 HydrophobicContact CE2-CH2 4.13Å; F114-W825 AromaticContact CE2-CZ2 3.71Å; F114-W825 HydrophobicContact CE2-CZ2 3.71Å; F114-W825 HydrophobicContact CE2-CZ3 4.36Å; F114-W825 AromaticContact CE2-NE1 3.84Å
115	Q	97.3	Very high	96.1	Very high	3 Å²	3	17.6 Å²	17.6	1%	0.014	9%	0.088	C	C	.	.	H	α-helix	trans	-67.6	-34.8	-179	-62	-66	27.6	0	0	112.3	Y84 I111 A112 R113 M117 R118 G119 M120 V122	Y84-Q115 HydrophobicContact CD1-CB 4.27Å; Y84-Q115 HydrophobicContact CD1-CG 3.69Å; Y84-Q115 HydrophobicContact CD2-CG 4.05Å; Y84-Q115 HydrophobicContact CE1-CG 3.86Å; Y84-Q115 HydrophobicContact CE2-CG 4.21Å; Y84-Q115 HydrophobicContact CG-CB 4.16Å; Y84-Q115 HydrophobicContact CG-CG 3.77Å; I111-Q115 HydrophobicContact CG2-CG 4.25Å; I111-Q115 WeakPolarHBondContact O-CG 3.17Å; I111-Q115 PolarHBondContact O-N 3.02Å; A112-Q115 PolarHBondContact O-N 3.46Å; R113-Q115 PolarHBondContact O-N 3.27Å; Q115-M117 VanDerWaalsContact C-N 3.33Å; Q115-M117 PolarHBondContact O-N 2.96Å; Q115-R118 PolarHBondContact O-N 3.45Å; Q115-R118 VanDerWaalsContact O-N 3.16Å; Q115-G119 PolarHBondContact O-N 2.94Å; Q115-M120 HydrophobicContact CB-CB 4.39Å; Q115-M120 HydrophobicContact CB-CG 4.42Å; Q115-M120 HydrophobicContact CB-SD 3.95Å; Q115-M120 HydrophobicContact CG-SD 4.22Å; Q115-M120 WeakPolarHBondContact O-CB 3.47Å; Q115-M120 WeakPolarHBondContact O-CG 3.39Å; Q115-M120 PolarHBondContact O-N 3.38Å; Q115-M120 VanDerWaalsContact O-N 3.13Å; Q115-M120 PolarHBondContact OE1-SD 2.66Å; Q115-V122 HydrophobicContact CB-CG2 3.74Å
116	K	94.6	Very high	96.1	Very high	88 Å²	88	17.4 Å²	17.4	38%	0.383	9%	0.088	S	C	.	.	H	α-helix	trans	-60.4	-43.6	170.9	-75.2	-176.2	179.5	-174.9	0	111.4	A71 A112 R113 F114 R118 G119 V122	A71-K116 PolarHBondContact O-NZ 2.92Å; A112-K116 WeakPolarHBondContact O-CG 3.35Å; A112-K116 PolarHBondContact O-N 3.44Å; R113-K116 PolarHBondContact O-N 2.6Å; F114-K116 VanDerWaalsContact C-N 3.35Å; F114-K116 PolarHBondContact O-N 3.22Å; K116-R118 PolarHBondContact O-N 3.39Å; K116-G119 PolarHBondContact O-N 3.45Å; K116-V122 HydrophobicContact CB-CG2 4.35Å; K116-V122 HydrophobicContact CD-CB 4.43Å; K116-V122 HydrophobicContact CG-CB 3.67Å; K116-V122 HydrophobicContact CG-CG1 4.46Å; K116-V122 HydrophobicContact CG-CG2 3.53Å
117	M	96	Very high	96.2	Very high	9 Å²	9	17.4 Å²	17.4	4%	0.044	9%	0.087	C	C	.	.	H	α-helix	trans	-67.2	-21.4	177.5	-66.5	172.2	72.7	0	0	112.7	R113 F114 Q115 G119 V786 P790 L821 A824 W825	R113-M117 VanDerWaalsContact O-CG 3.28Å; R113-M117 WeakPolarHBondContact O-CG 3.33Å; R113-M117 PolarHBondContact O-N 3.5Å; F114-M117 PolarHBondContact O-N 2.87Å; F114-M117 VanDerWaalsContact O-N 3.14Å; Q115-M117 VanDerWaalsContact C-N 3.33Å; Q115-M117 PolarHBondContact O-N 2.96Å; M117-G119 PolarHBondContact O-N 3.03Å; M117-V786 HydrophobicContact CE-CB 4.45Å; M117-V786 HydrophobicContact CE-CG1 3.37Å; M117-V786 WeakPolarHBondContact CE-O 3.47Å; M117-P790 HydrophobicContact SD-CG 3.76Å; M117-L821 HydrophobicContact SD-CD2 4.25Å; M117-A824 CarbonylContact O-C 3.56Å; M117-A824 WeakPolarHBondContact O-CA 3.35Å; M117-W825 HydrophobicContact CB-CB 4.28Å; M117-W825 HydrophobicContact CB-CE3 4.46Å; M117-W825 HydrophobicContact CE-CE3 4.36Å; M117-W825 PolarHBondContact O-N 3.39Å
118	R	95.3	Very high	96.2	Very high	119 Å²	119	17.2 Å²	17.2	45%	0.449	9%	0.086	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81	3.8	168.9	-70.4	-174.3	63.7	-146.6	9.6	114.2	F114 Q115 K116 M120 W825	F114-R118 HydrophobicContact CE2-CG 4.2Å; F114-R118 HydrophobicContact CZ-CG 4.19Å; F114-R118 PolarHBondContact O-N 3.27Å; Q115-R118 PolarHBondContact O-N 3.45Å; Q115-R118 VanDerWaalsContact O-N 3.16Å; K116-R118 PolarHBondContact O-N 3.39Å; R118-M120 HydrophobicContact CB-CG 4.37Å; R118-W825 HydrophobicContact CG-CB 3.82Å; R118-W825 HydrophobicContact CG-CG 4.09Å
119	G	92.6	Very high	96.1	Very high	40 Å²	40	17.4 Å²	17.4	41%	0.412	9%	0.087	S	C	.	.	T	Hydrogen-bonded Turn	trans	83.3	13.1	178.4	0	0	0	0	0	114.6	Q115 K116 M117	Q115-G119 PolarHBondContact O-N 2.94Å; K116-G119 PolarHBondContact O-N 3.45Å; M117-G119 PolarHBondContact O-N 3.03Å
120	M	93.5	Very high	95.9	Very high	35 Å²	35	17.3 Å²	17.3	17%	0.172	9%	0.087	C	C	.	.			trans	-80.3	152.9	179	-51.2	-170.1	81.2	0	0	112.1	P82 K83 Y84 Q115 R118 V122	P82-M120 HydrophobicContact CB-CE 4Å; P82-M120 HydrophobicContact CG-CE 4.26Å; P82-M120 HydrophobicContact CG-CG 4.27Å; P82-M120 CarbonylContact O-C 3.53Å; P82-M120 VanDerWaalsContact O-CA 3.31Å; P82-M120 WeakPolarHBondContact O-CA 3.29Å; P82-M120 WeakPolarHBondContact O-CB 3.34Å; K83-M120 VanDerWaalsContact O-CE 3.27Å; K83-M120 WeakPolarHBondContact O-CE 3.33Å; Y84-M120 HydrophobicContact CD2-CE 3.83Å; Y84-M120 HydrophobicContact CD2-SD 3.89Å; Y84-M120 HydrophobicContact CG-CE 4.37Å; Y84-M120 HydrophobicContact CG-SD 4.23Å; Q115-M120 HydrophobicContact CB-CB 4.39Å; Q115-M120 HydrophobicContact CB-CG 4.42Å; Q115-M120 HydrophobicContact CB-SD 3.95Å; Q115-M120 HydrophobicContact CG-SD 4.22Å; Q115-M120 WeakPolarHBondContact O-CB 3.47Å; Q115-M120 WeakPolarHBondContact O-CG 3.39Å; Q115-M120 PolarHBondContact O-N 3.38Å; Q115-M120 VanDerWaalsContact O-N 3.13Å; Q115-M120 PolarHBondContact OE1-SD 2.66Å; R118-M120 HydrophobicContact CB-CG 4.37Å; M120-V122 HydrophobicContact CB-CG2 4.05Å
121	Q	92.9	Very high	95.6	Very high	22 Å²	22	17.4 Å²	17.4	10%	0.103	9%	0.087	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	112.6	165.3	-71.1	-68.7	-12	0	0	108.9	K81 P82 K83 Y84 W551	K81-Q121 HydrophobicContact CB-CG 3.73Å; K81-Q121 HydrophobicContact CD-CG 4.42Å; P82-Q121 PolarHBondContact O-N 3.34Å; K83-Q121 CarbonylContact C-O 3.56Å; K83-Q121 WeakPolarHBondContact CA-O 3.41Å; Y84-Q121 PolarHBondContact N-O 2.86Å; Q121-W551 HydrophobicContact CB-CH2 4.07Å; Q121-W551 WeakPolarHBondContact O-CZ3 3.25Å
122	V	94.1	Very high	95	Very high	13 Å²	13	18 Å²	18	8%	0.079	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	127.2	-170.9	-174.9	0	0	0	0	111.7	Y84 V86 A112 Q115 K116 M120	Y84-V122 VanDerWaalsContact O-CA 3.28Å; Y84-V122 WeakPolarHBondContact O-CA 3.33Å; V86-V122 HydrophobicContact CG1-CG1 4.2Å; A112-V122 HydrophobicContact CB-CG1 4.01Å; Q115-V122 HydrophobicContact CB-CG2 3.74Å; K116-V122 HydrophobicContact CB-CG2 4.35Å; K116-V122 HydrophobicContact CD-CB 4.43Å; K116-V122 HydrophobicContact CG-CB 3.67Å; K116-V122 HydrophobicContact CG-CG1 4.46Å; K116-V122 HydrophobicContact CG-CG2 3.53Å; M120-V122 HydrophobicContact CB-CG2 4.05Å
123	I	94.6	Very high	94	Very high	7 Å²	7	18.4 Å²	18.4	4%	0.036	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	132.7	160.2	58.4	172.3	0	0	0	109.4	Y84 Y85 V86 W551	Y84-I123 PolarHBondContact O-N 2.85Å; Y85-I123 HydrophobicContact CD1-CD1 3.63Å; Y85-I123 HydrophobicContact CD1-CG1 3.49Å; Y85-I123 VanDerWaalsContact CD1-CG1 3.49Å; Y85-I123 HydrophobicContact CD2-CD1 3.8Å; Y85-I123 HydrophobicContact CD2-CG1 4.4Å; Y85-I123 HydrophobicContact CE1-CD1 3.79Å; Y85-I123 HydrophobicContact CE1-CG1 4Å; Y85-I123 HydrophobicContact CE2-CD1 3.94Å; Y85-I123 HydrophobicContact CG-CD1 3.64Å; Y85-I123 HydrophobicContact CG-CG1 3.73Å; V86-I123 PolarHBondContact N-O 2.92Å; I123-W551 HydrophobicContact CB-CH2 4.44Å; I123-W551 HydrophobicContact CB-CZ3 4.35Å; I123-W551 HydrophobicContact CD1-CB 4.24Å; I123-W551 HydrophobicContact CD1-CD2 3.57Å; I123-W551 HydrophobicContact CD1-CE3 3.66Å; I123-W551 HydrophobicContact CD1-CG 3.84Å; I123-W551 HydrophobicContact CD1-CZ3 4.26Å; I123-W551 HydrophobicContact CG1-CD2 4.04Å; I123-W551 HydrophobicContact CG1-CE3 3.63Å; I123-W551 HydrophobicContact CG1-CH2 4.3Å; I123-W551 HydrophobicContact CG1-CZ3 3.77Å; I123-W551 HydrophobicContact CG2-CD2 4.45Å; I123-W551 HydrophobicContact CG2-CE3 4.39Å; I123-W551 HydrophobicContact CG2-CH2 3.61Å; I123-W551 HydrophobicContact CG2-CZ2 3.65Å; I123-W551 HydrophobicContact CG2-CZ3 3.98Å
124	N	96.5	Very high	93	Very high	4 Å²	4	18.7 Å²	18.7	2%	0.021	10%	0.099	C	C	.	.			trans	-131.3	75.3	171.3	-178.8	32.8	0	0	0	106.7	V86 A112 C167 F168 S169	V86-N124 HydrophobicContact CG1-CB 3.74Å; V86-N124 WeakPolarHBondContact O-CA 2.94Å; A112-N124 HydrophobicContact CB-CB 3.8Å; N124-C167 PolarHBondContact ND2-O 2.84Å; N124-F168 WeakPolarHBondContact ND2-CD1 3.33Å; N124-F168 CarbonylContact O-C 3.58Å; N124-F168 WeakPolarHBondContact O-CA 3.41Å; N124-F168 WeakPolarHBondContact O-CB 3.33Å; N124-F168 WeakPolarHBondContact O-CD1 3.29Å; N124-S169 PolarHBondContact N-OG 3.21Å; N124-S169 PolarHBondContact O-N 3.37Å
125	P	96.9	Very high	92	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	10%	0.1	C	C	.	.			trans	-78.3	163.3	-173.4	34.9	-35.8	0	0	0	111.3	Y85 L87 R172 Y533	Y85-P125 HydrophobicContact CE1-CG 3.58Å; L87-P125 HydrophobicContact CD1-CG 3.9Å; P125-R172 HydrophobicContact CB-CB 4.17Å; P125-Y533 HydrophobicContact CB-CD1 3.51Å; P125-Y533 HydrophobicContact CB-CD2 4.11Å; P125-Y533 HydrophobicContact CB-CE1 3.85Å; P125-Y533 HydrophobicContact CB-CE2 4.39Å; P125-Y533 HydrophobicContact CB-CG 3.66Å; P125-Y533 HydrophobicContact CG-CD1 4Å; P125-Y533 HydrophobicContact CG-CD2 3.66Å; P125-Y533 HydrophobicContact CG-CE1 4.43Å; P125-Y533 HydrophobicContact CG-CE2 4.12Å; P125-Y533 HydrophobicContact CG-CG 3.59Å
126	M	97.4	Very high	91.3	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	10%	0.1	C	C	.	.			trans	-144.6	153.7	174.2	-175.5	51.1	62	0	0	109.1	S88 F90 P91 Y105 L161 F168 W170 E173 Y533	S88-M126 VanDerWaalsContact OG-CE 3.32Å; S88-M126 WeakPolarHBondContact OG-CE 3.49Å; F90-M126 HydrophobicContact CB-SD 4.1Å; P91-M126 VanDerWaalsContact CD-SD 3.52Å; P91-M126 HydrophobicContact CG-SD 4.49Å; Y105-M126 HydrophobicContact CD1-CE 3.65Å; Y105-M126 HydrophobicContact CE1-CE 3.5Å; Y105-M126 VanDerWaalsContact CE1-CE 3.5Å; Y105-M126 HydrophobicContact CE1-SD 4.45Å; Y105-M126 HydrophobicContact CG-CE 4.39Å; M126-L161 HydrophobicContact CG-CD1 4.1Å; M126-F168 HydrophobicContact CB-CB 3.87Å; M126-F168 HydrophobicContact CB-CD1 3.71Å; M126-F168 HydrophobicContact CB-CD2 3.98Å; M126-F168 HydrophobicContact CB-CE1 4.19Å; M126-F168 HydrophobicContact CB-CE2 4.42Å; M126-F168 HydrophobicContact CB-CG 3.58Å; M126-F168 HydrophobicContact CB-CZ 4.5Å; M126-F168 HydrophobicContact CE-CD1 4.12Å; M126-F168 HydrophobicContact CE-CE1 3.45Å; M126-F168 VanDerWaalsContact CE-CE1 3.45Å; M126-F168 HydrophobicContact CE-CE2 4.3Å; M126-F168 HydrophobicContact CE-CZ 3.54Å; M126-F168 HydrophobicContact CG-CD2 4.31Å; M126-F168 HydrophobicContact CG-CE2 4.36Å; M126-F168 HydrophobicContact CG-CG 4.37Å; M126-F168 HydrophobicContact CG-CZ 4.48Å; M126-W170 HydrophobicContact CB-CE3 4.49Å; M126-W170 HydrophobicContact CB-CH2 4.03Å; M126-W170 HydrophobicContact CB-CZ3 3.89Å; M126-W170 HydrophobicContact CG-CH2 3.84Å; M126-W170 HydrophobicContact CG-CZ3 3.98Å; M126-E173 WeakPolarHBondContact O-CA 3.27Å; M126-Y533 VanDerWaalsContact C-OH 3.26Å
127	G	97.4	Very high	90.5	Very high	0 Å²	0	15.6 Å²	15.6	0%	0	9%	0.087	C	C	.	.			trans	-164.7	-162.8	-177	0	0	0	0	0	109.7	P91 I174 Y533	P91-G127 WeakPolarHBondContact CD-O 3.43Å; G127-I174 CarbonylContact C-O 3.45Å; G127-I174 WeakPolarHBondContact CA-O 3.49Å; G127-Y533 VanDerWaalsContact CA-OH 3.25Å; G127-Y533 WeakPolarHBondContact CA-OH 3.27Å; G127-Y533 PolarHBondContact N-OH 3.48Å
128	W	97.4	Very high	89.6	Confident	0 Å²	0	15.6 Å²	15.6	0%	0	9%	0.088	C	C	.	.	B	Isolated β-bridge	trans	-138.3	121.3	-169.8	-46.4	96.2	0	0	0	111.1	P91 P93 A130 I154 M157 R158 L161 W170 E173 I174 T175 T176	P91-W128 HydrophobicContact CG-CE3 3.86Å; P91-W128 HydrophobicContact CG-CZ3 3.8Å; P93-W128 HydrophobicContact CB-CE3 4.45Å; P93-W128 HydrophobicContact CG-CB 4.42Å; W128-A130 VanDerWaalsContact C-N 3.31Å; W128-A130 HydrophobicContact CB-CB 4.35Å; W128-A130 PolarHBondContact O-N 3.34Å; W128-I154 HydrophobicContact CB-CD1 3.84Å; W128-I154 HydrophobicContact CB-CG1 3.92Å; W128-I154 HydrophobicContact CD2-CB 4.26Å; W128-I154 HydrophobicContact CD2-CG1 3.82Å; W128-I154 HydrophobicContact CD2-CG2 3.96Å; W128-I154 HydrophobicContact CE3-CG1 4.22Å; W128-I154 HydrophobicContact CG-CB 4.39Å; W128-I154 HydrophobicContact CG-CD1 3.86Å; W128-I154 HydrophobicContact CG-CG1 3.64Å; W128-I154 HydrophobicContact CG-CG2 4.04Å; W128-I154 HydrophobicContact CZ2-CG2 4.2Å; W128-M157 HydrophobicContact CE3-CE 4.32Å; W128-M157 HydrophobicContact CH2-CB 3.63Å; W128-M157 HydrophobicContact CZ3-CB 3.43Å; W128-M157 VanDerWaalsContact CZ3-CB 3.43Å; W128-M157 HydrophobicContact CZ3-CE 3.8Å; W128-M157 HydrophobicContact CZ3-CG 4.37Å; W128-M157 HydrophobicContact CZ3-SD 4.11Å; W128-R158 HydrophobicContact CH2-CB 4.16Å; W128-R158 HydrophobicContact CZ2-CB 3.8Å; W128-R158 HydrophobicContact CZ2-CG 4.41Å; W128-L161 HydrophobicContact CH2-CD1 3.89Å; W128-W170 HydrophobicContact CZ2-CH2 4.19Å; W128-W170 HydrophobicContact CZ2-CZ3 4.21Å; W128-E173 PolarHBondContact NE1-OE1 3.05Å; W128-I174 PolarHBondContact N-O 3.33Å; W128-T175 HydrophobicContact CB-CG2 4.37Å; W128-T176 PolarHBondContact O-N 2.67Å; W128-T176 PolarHBondContact O-OG1 3.43Å
129	D	95.6	Very high	88.9	Confident	3 Å²	3	10 Å²	10	2%	0.016	7%	0.067	C	C	.	.			trans	-81.5	81.5	171.7	-158.3	-3.9	0	0	0	109.5	F90 P91 Y92 P93 T176 T522	F90-D129 HydrophobicContact CD1-CB 3.94Å; F90-D129 HydrophobicContact CD2-CB 4.49Å; F90-D129 HydrophobicContact CE1-CB 3.41Å; F90-D129 VanDerWaalsContact CE1-CB 3.41Å; F90-D129 HydrophobicContact CE2-CB 4.04Å; F90-D129 HydrophobicContact CG-CB 4.45Å; F90-D129 HydrophobicContact CZ-CB 3.46Å; F90-D129 VanDerWaalsContact CZ-CB 3.46Å; P91-D129 PolarHBondContact O-N 3.06Å; P91-D129 VanDerWaalsContact O-N 3.07Å; Y92-D129 HydrophobicContact CD1-CB 3.86Å; Y92-D129 WeakPolarHBondContact CD1-O 3.43Å; Y92-D129 HydrophobicContact CE1-CB 3.95Å; Y92-D129 VanDerWaalsContact CE1-OD2 3.28Å; Y92-D129 WeakPolarHBondContact CE1-OD2 3.39Å; P93-D129 WeakPolarHBondContact CD-O 3.27Å; D129-T176 PolarHBondContact OD1-OG1 2.97Å; D129-T522 PolarHBondContact OD1-OG1 3.19Å
130	A	94.2	Very high	88.4	Confident	0 Å²	0	10.4 Å²	10.4	0%	0	6%	0.059	C	C	.	.			trans	-96.5	-13.6	-156.3	0	0	0	0	0	114.7	P93 W128 T150 I154 T175 T176 C177 W455	P93-A130 HydrophobicContact CG-CB 3.92Å; W128-A130 VanDerWaalsContact C-N 3.31Å; W128-A130 HydrophobicContact CB-CB 4.35Å; W128-A130 PolarHBondContact O-N 3.34Å; A130-T150 HydrophobicContact CB-CG2 3.69Å; A130-I154 HydrophobicContact CB-CD1 4.3Å; A130-T175 HydrophobicContact CB-CG2 3.67Å; A130-T176 PolarHBondContact N-OG1 2.7Å; A130-C177 HydrophobicContact CB-CB 3.76Å; A130-C177 VanDerWaalsContact CB-SG 3.52Å; A130-W455 PolarHBondContact O-NE1 3.4Å
131	F	92.4	Very high	87.7	Confident	2 Å²	2	15.2 Å²	15.2	1%	0.009	8%	0.082	C	C	.	.			trans	-87.8	174.3	172.2	-87.1	-39.5	0	0	0	112.7	T176 C177 Y182 W455 T457 L481 T522	F131-T176 PolarHBondContact N-OG1 2.83Å; F131-C177 HydrophobicContact CD1-CB 3.56Å; F131-C177 HydrophobicContact CD2-CB 4.05Å; F131-C177 HydrophobicContact CE1-CB 3.54Å; F131-C177 VanDerWaalsContact CE2-CA 3.46Å; F131-C177 HydrophobicContact CE2-CB 4.08Å; F131-C177 HydrophobicContact CG-CB 3.8Å; F131-C177 HydrophobicContact CZ-CB 3.82Å; F131-Y182 AromaticContact CE2-CD1 3.54Å; F131-Y182 HydrophobicContact CE2-CD1 3.54Å; F131-Y182 HydrophobicContact CE2-CE1 4.19Å; F131-Y182 HydrophobicContact CE2-CG 4Å; F131-Y182 AromaticContact CZ-CD1 3.82Å; F131-Y182 HydrophobicContact CZ-CD1 3.82Å; F131-Y182 AromaticContact CZ-CE1 3.98Å; F131-Y182 HydrophobicContact CZ-CE1 3.98Å; F131-W455 AromaticContact CD1-CD1 3.93Å; F131-W455 AromaticContact CD1-CD2 3.97Å; F131-W455 HydrophobicContact CD1-CD2 3.97Å; F131-W455 AromaticContact CD1-CE2 3.87Å; F131-W455 HydrophobicContact CD1-CG 4.02Å; F131-W455 HydrophobicContact CD1-CZ2 4.39Å; F131-W455 AromaticContact CD1-NE1 3.85Å; F131-W455 HydrophobicContact CE1-CD2 4.01Å; F131-W455 HydrophobicContact CE1-CE3 4.2Å; F131-W455 HydrophobicContact CE1-CG 4.47Å; F131-W455 HydrophobicContact CE1-CH2 4.36Å; F131-W455 HydrophobicContact CE1-CZ2 4.22Å; F131-W455 HydrophobicContact CE1-CZ3 4.37Å; F131-T457 WeakPolarHBondContact CD2-OG1 3.43Å; F131-T457 WeakPolarHBondContact CE2-OG1 3.47Å; F131-L481 HydrophobicContact CE1-CD1 3.55Å; F131-L481 HydrophobicContact CZ-CD1 3.73Å; F131-T522 PolarHBondContact O-OG1 3.09Å
132	G	84.2	Confident	87.1	Confident	11 Å²	11	20 Å²	20	11%	0.113	10%	0.099	C	C	.	.	S	Bend	trans	95.3	176.2	170.5	0	0	0	0	0	115.4	A135 E136 W455	G132-A135 PolarHBondContact O-N 3.03Å; G132-E136 PolarHBondContact O-N 3.39Å; G132-W455 WeakPolarHBondContact CA-O 3.06Å; G132-W455 PolarHBondContact N-O 3.39Å
133	L	76.1	Confident	86.6	Confident	13 Å²	13	26.9 Å²	26.9	7%	0.068	14%	0.135	C	C	.	.	H	α-helix	trans	-52.2	-41.6	-174.2	-63.4	175.4	0	0	0	114.4	A135 E136 N137 T213 R228 R453	L133-A135 PolarHBondContact O-N 3.41Å; L133-E136 PolarHBondContact O-N 3.19Å; L133-N137 PolarHBondContact O-N 3.06Å; L133-T213 HydrophobicContact CD1-CG2 4.26Å; L133-T213 HydrophobicContact CD2-CG2 4.2Å; L133-R228 VanDerWaalsContact CB-NH1 3.34Å; L133-R228 PolarHBondContact O-NH1 3.25Å; L133-R453 HydrophobicContact CD2-CG 3.76Å
134	P	75.2	Confident	86.3	Confident	24 Å²	24	30.4 Å²	30.4	16%	0.156	15%	0.154	C	C	.	.	H	α-helix	trans	-59.8	-44.4	-175.2	-26.2	36.2	0	0	0	113.4	Y92 A138	Y92-P134 HydrophobicContact CD1-CG 4.49Å; P134-A138 VanDerWaalsContact O-CB 3.29Å; P134-A138 WeakPolarHBondContact O-CB 3.34Å; P134-A138 PolarHBondContact O-N 3.46Å
135	A	78.1	Confident	85.9	Confident	3 Å²	3	32.1 Å²	32.1	3%	0.025	16%	0.161	C	C	.	.	H	α-helix	trans	-72	-42.8	179.6	0	0	0	0	0	111.6	G132 L133 A139	G132-A135 PolarHBondContact O-N 3.03Å; L133-A135 PolarHBondContact O-N 3.41Å; A135-A139 WeakPolarHBondContact O-CB 3.3Å; A135-A139 PolarHBondContact O-N 3.46Å; A135-A139 VanDerWaalsContact O-N 3.1Å
136	E	81.8	Confident	85.5	Confident	4 Å²	4	32.1 Å²	32.1	2%	0.019	16%	0.161	C	C	.	.	H	α-helix	trans	-63.8	-53.2	-176.9	-164.9	176.5	-154.3	0	0	112.6	G132 L133 A138 A139 I140 P146 R453 Y454 W455	G132-E136 PolarHBondContact O-N 3.39Å; L133-E136 PolarHBondContact O-N 3.19Å; E136-A138 VanDerWaalsContact C-N 3.33Å; E136-A138 PolarHBondContact O-N 3.09Å; E136-A139 WeakPolarHBondContact O-CB 3.37Å; E136-A139 PolarHBondContact O-N 2.98Å; E136-A139 VanDerWaalsContact O-N 3.14Å; E136-I140 HydrophobicContact CG-CD1 4.03Å; E136-I140 WeakPolarHBondContact O-CG1 3.34Å; E136-I140 PolarHBondContact O-N 3.46Å; E136-P146 HydrophobicContact CG-CG 4.07Å; E136-R453 IonicContact OE1-NE 3.13Å; E136-R453 IonicContact OE2-CZ 3.44Å; E136-R453 IonicContact OE2-NE 3.81Å; E136-R453 PolarHBondContact OE2-NE 3.22Å; E136-R453 IonicContact OE2-NH2 2.69Å; E136-R453 PolarHBondContact OE2-NH2 3.05Å; E136-Y454 WeakPolarHBondContact OE1-CB 3.39Å; E136-Y454 PolarHBondContact OE1-N 3.46Å; E136-W455 HydrophobicContact CB-CB 3.79Å; E136-W455 HydrophobicContact CB-CG 4.48Å; E136-W455 HydrophobicContact CG-CB 3.78Å; E136-W455 PolarHBondContact OE1-N 2.89Å; E136-W455 VanDerWaalsContact OE1-N 3.13Å
137	N	78	Confident	85.2	Confident	18 Å²	18	36.6 Å²	36.6	10%	0.096	18%	0.182	C	C	.	.	H	α-helix	trans	-63.9	-39.2	-179.9	-83.8	15.7	0	0	0	111.8	L133 A139 I140 E141 D211 R228 R453	L133-N137 PolarHBondContact O-N 3.06Å; N137-A139 PolarHBondContact O-N 3.49Å; N137-I140 PolarHBondContact O-N 3.13Å; N137-E141 WeakPolarHBondContact O-CB 3.23Å; N137-E141 VanDerWaalsContact O-CG 3.31Å; N137-E141 WeakPolarHBondContact O-CG 3.2Å; N137-E141 PolarHBondContact O-N 3.04Å; N137-D211 PolarHBondContact ND2-OD1 3.3Å; N137-R228 VanDerWaalsContact CB-CZ 3.47Å; N137-R228 VanDerWaalsContact CG-CZ 3.5Å; N137-R228 VanDerWaalsContact CG-NH1 3.34Å; N137-R228 PolarHBondContact ND2-NE 2.84Å; N137-R228 PolarHBondContact ND2-NH1 3.27Å; N137-R228 PolarHBondContact ND2-NH2 3.31Å; N137-R228 VanDerWaalsContact ND2-NH2 3.15Å; N137-R453 PolarHBondContact OD1-NH1 2.78Å; N137-R453 PolarHBondContact OD1-NH2 2.75Å
138	A	77.1	Confident	84.9	Confident	10 Å²	10	40.3 Å²	40.3	8%	0.083	21%	0.208	C	C	.	.	H	α-helix	trans	-62.6	-33.7	177.5	0	0	0	0	0	111.7	P134 E136 R142 W149	P134-A138 VanDerWaalsContact O-CB 3.29Å; P134-A138 WeakPolarHBondContact O-CB 3.34Å; P134-A138 PolarHBondContact O-N 3.46Å; E136-A138 VanDerWaalsContact C-N 3.33Å; E136-A138 PolarHBondContact O-N 3.09Å; A138-R142 WeakPolarHBondContact O-CD 3.31Å; A138-R142 PolarHBondContact O-NH1 2.93Å; A138-W149 HydrophobicContact CB-CZ2 4.34Å
139	A	81.9	Confident	84.5	Confident	0 Å²	0	42 Å²	42	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-71.7	-44.4	173.1	0	0	0	0	0	112	A135 E136 N137 E141 R142 N143 L144 P146 W149	A135-A139 WeakPolarHBondContact O-CB 3.3Å; A135-A139 PolarHBondContact O-N 3.46Å; A135-A139 VanDerWaalsContact O-N 3.1Å; E136-A139 WeakPolarHBondContact O-CB 3.37Å; E136-A139 PolarHBondContact O-N 2.98Å; E136-A139 VanDerWaalsContact O-N 3.14Å; N137-A139 PolarHBondContact O-N 3.49Å; A139-E141 PolarHBondContact O-N 3.16Å; A139-R142 CarbonylContact O-C 3.58Å; A139-R142 PolarHBondContact O-N 2.99Å; A139-R142 VanDerWaalsContact O-N 3.08Å; A139-N143 PolarHBondContact O-N 2.79Å; A139-L144 CarbonylContact C-O 3.58Å; A139-L144 WeakPolarHBondContact CB-O 3.5Å; A139-L144 PolarHBondContact O-N 3.42Å; A139-P146 HydrophobicContact CB-CB 4.28Å; A139-P146 HydrophobicContact CB-CG 4.17Å; A139-W149 HydrophobicContact CB-CB 3.75Å; A139-W149 HydrophobicContact CB-CG 3.92Å
140	I	81.1	Confident	84.4	Confident	49 Å²	49	41.9 Å²	41.9	25%	0.251	21%	0.214	S	C	.	.	H	α-helix	trans	-58.5	-48.1	176.7	-68.6	167.4	0	0	0	111.2	E136 N137 R142 N143 F487	E136-I140 HydrophobicContact CG-CD1 4.03Å; E136-I140 WeakPolarHBondContact O-CG1 3.34Å; E136-I140 PolarHBondContact O-N 3.46Å; N137-I140 PolarHBondContact O-N 3.13Å; I140-R142 PolarHBondContact O-N 2.81Å; I140-N143 PolarHBondContact O-N 2.9Å; I140-F487 HydrophobicContact CD1-CB 4.43Å; I140-F487 HydrophobicContact CG1-CB 4.08Å
141	E	78.5	Confident	84.3	Confident	137 Å²	137	45.2 Å²	45.2	64%	0.64	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.4	-26.9	176.5	-75.4	167.4	-165.5	0	0	113.3	N137 A139	N137-E141 WeakPolarHBondContact O-CB 3.23Å; N137-E141 VanDerWaalsContact O-CG 3.31Å; N137-E141 WeakPolarHBondContact O-CG 3.2Å; N137-E141 PolarHBondContact O-N 3.04Å; A139-E141 PolarHBondContact O-N 3.16Å
142	R	80.9	Confident	84.4	Confident	123 Å²	123	47.8 Å²	47.8	46%	0.464	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	-103.5	3.1	-177.1	-70.8	165.3	-176.6	65.8	9.2	112.8	A138 A139 I140 L144 W149	A138-R142 WeakPolarHBondContact O-CD 3.31Å; A138-R142 PolarHBondContact O-NH1 2.93Å; A139-R142 CarbonylContact O-C 3.58Å; A139-R142 PolarHBondContact O-N 2.99Å; A139-R142 VanDerWaalsContact O-N 3.08Å; I140-R142 PolarHBondContact O-N 2.81Å; R142-L144 VanDerWaalsContact C-N 3.27Å; R142-L144 HydrophobicContact CB-CD1 3.98Å; R142-L144 HydrophobicContact CB-CG 4.08Å; R142-L144 PolarHBondContact O-N 3.2Å; R142-W149 VanDerWaalsContact CD-CH2 3.46Å
143	N	83.9	Confident	84.8	Confident	157 Å²	157	47.8 Å²	47.8	84%	0.84	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	54.6	42.1	-175.2	-156.5	27.5	0	0	0	112.5	A139 I140	A139-N143 PolarHBondContact O-N 2.79Å; I140-N143 PolarHBondContact O-N 2.9Å
144	L	86.8	Confident	85.8	Confident	81 Å²	81	47.7 Å²	47.7	42%	0.424	25%	0.245	S	C	.	.			trans	-116.7	154.5	179.4	-65.7	175.2	0	0	0	111	A139 R142 W149	A139-L144 CarbonylContact C-O 3.58Å; A139-L144 WeakPolarHBondContact CB-O 3.5Å; A139-L144 PolarHBondContact O-N 3.42Å; R142-L144 VanDerWaalsContact C-N 3.27Å; R142-L144 HydrophobicContact CB-CD1 3.98Å; R142-L144 HydrophobicContact CB-CG 4.08Å; R142-L144 PolarHBondContact O-N 3.2Å; L144-W149 HydrophobicContact CD1-CD2 4.49Å; L144-W149 HydrophobicContact CD1-CE3 3.65Å; L144-W149 HydrophobicContact CD1-CZ3 4.23Å
145	H	88.4	Confident	86.7	Confident	39 Å²	39	54.5 Å²	54.5	18%	0.181	27%	0.272	C	S	.	.			trans	-69.4	133.2	170.5	-170.3	-82.3	0	0	0	110.1	E147 S148 W149 Y454 F487	H145-E147 VanDerWaalsContact C-N 3.29Å; H145-E147 IonicContact CE1-OE2 3.17Å; H145-E147 WeakPolarHBondContact ND1-CB 3.18Å; H145-E147 PolarHBondContact ND1-N 2.93Å; H145-E147 VanDerWaalsContact ND1-N 3.15Å; H145-E147 PolarHBondContact O-N 3.26Å; H145-S148 PolarHBondContact O-N 2.98Å; H145-W149 PolarHBondContact O-N 3.02Å; H145-Y454 AromaticContact NE2-CE1 3.98Å; H145-Y454 PolarHBondContact NE2-OH 3.29Å; H145-F487 AromaticContact CD2-CE2 3.39Å; H145-F487 WeakPolarHBondContact CD2-CE2 3.48Å; H145-F487 AromaticContact CD2-CZ 3.69Å; H145-F487 AromaticContact NE2-CE2 3.85Å; H145-F487 AromaticContact NE2-CZ 3.63Å
146	P	88.9	Confident	87.5	Confident	0 Å²	0	57 Å²	57	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-53.8	-40.1	-178.2	-30	36.4	0	0	0	114.4	E136 A139 T150 Y454 W455	E136-P146 HydrophobicContact CG-CG 4.07Å; A139-P146 HydrophobicContact CB-CB 4.28Å; A139-P146 HydrophobicContact CB-CG 4.17Å; P146-T150 WeakPolarHBondContact O-CB 3.45Å; P146-T150 PolarHBondContact O-N 3.17Å; P146-T150 PolarHBondContact O-OG1 3.1Å; P146-Y454 HydrophobicContact CG-CD1 4.38Å; P146-W455 HydrophobicContact CB-CB 4.07Å; P146-W455 HydrophobicContact CB-CD2 3.48Å; P146-W455 VanDerWaalsContact CB-CD2 3.48Å; P146-W455 HydrophobicContact CB-CE3 3.75Å; P146-W455 HydrophobicContact CB-CG 3.61Å; P146-W455 HydrophobicContact CB-CZ3 4.47Å; P146-W455 HydrophobicContact CG-CB 4.49Å
147	E	91.1	Very high	88.2	Confident	95 Å²	95	56.9 Å²	56.9	44%	0.444	28%	0.282	S	S	.	.	H	α-helix	trans	-59.3	-54.8	175.7	-171.3	174.2	-169.4	0	0	112.3	H145 W149 T150 Q151 W455	H145-E147 VanDerWaalsContact C-N 3.29Å; H145-E147 IonicContact CE1-OE2 3.17Å; H145-E147 WeakPolarHBondContact ND1-CB 3.18Å; H145-E147 PolarHBondContact ND1-N 2.93Å; H145-E147 VanDerWaalsContact ND1-N 3.15Å; H145-E147 PolarHBondContact O-N 3.26Å; E147-W149 VanDerWaalsContact C-N 3.3Å; E147-W149 PolarHBondContact O-N 2.59Å; E147-T150 WeakPolarHBondContact O-CB 3.43Å; E147-T150 PolarHBondContact O-N 3.08Å; E147-Q151 HydrophobicContact CG-CG 4.44Å; E147-Q151 WeakPolarHBondContact O-CB 3.26Å; E147-Q151 WeakPolarHBondContact O-CG 3.41Å; E147-Q151 PolarHBondContact O-N 3.16Å; E147-W455 HydrophobicContact CB-CH2 3.33Å; E147-W455 HydrophobicContact CB-CZ2 4.09Å; E147-W455 HydrophobicContact CB-CZ3 3.76Å; E147-W455 HydrophobicContact CG-CH2 3.73Å; E147-W455 HydrophobicContact CG-CZ3 4.47Å
148	S	90.3	Very high	89	Confident	78 Å²	78	60.2 Å²	60.2	55%	0.545	29%	0.294	S	S	.	.	H	α-helix	trans	-60.7	-40.8	-178.6	-54.7	0	0	0	0	111.8	H145 S152	H145-S148 PolarHBondContact O-N 2.98Å; S148-S152 WeakPolarHBondContact O-CB 3.44Å; S148-S152 PolarHBondContact O-N 2.83Å; S148-S152 PolarHBondContact O-OG 3.13Å
149	W	90.4	Very high	89.8	Confident	35 Å²	35	64.9 Å²	64.9	13%	0.133	31%	0.312	C	S	.	.	H	α-helix	trans	-61.7	-50.5	174.9	176	-113.8	0	0	0	111.5	A138 A139 R142 L144 H145 E147 Q151 S152 N153	A138-W149 HydrophobicContact CB-CZ2 4.34Å; A139-W149 HydrophobicContact CB-CB 3.75Å; A139-W149 HydrophobicContact CB-CG 3.92Å; R142-W149 VanDerWaalsContact CD-CH2 3.46Å; L144-W149 HydrophobicContact CD1-CD2 4.49Å; L144-W149 HydrophobicContact CD1-CE3 3.65Å; L144-W149 HydrophobicContact CD1-CZ3 4.23Å; H145-W149 PolarHBondContact O-N 3.02Å; E147-W149 VanDerWaalsContact C-N 3.3Å; E147-W149 PolarHBondContact O-N 2.59Å; W149-Q151 PolarHBondContact O-N 3.43Å; W149-S152 PolarHBondContact O-N 2.95Å; W149-S152 PolarHBondContact O-OG 3.19Å; W149-N153 WeakPolarHBondContact CZ2-ND2 3.47Å; W149-N153 PolarHBondContact NE1-ND2 3.3Å; W149-N153 PolarHBondContact O-N 2.81Å; W149-N153 PolarHBondContact O-ND2 3.33Å
150	T	92.4	Very high	90.3	Very high	0 Å²	0	65 Å²	65	0%	0	31%	0.312	C	S	.	.	H	α-helix	trans	-57.9	-50.4	179.1	-63.2	0	0	0	0	111.6	P93 A130 P146 E147 S152 N153 I154	P93-T150 HydrophobicContact CG-CG2 3.88Å; A130-T150 HydrophobicContact CB-CG2 3.69Å; P146-T150 WeakPolarHBondContact O-CB 3.45Å; P146-T150 PolarHBondContact O-N 3.17Å; P146-T150 PolarHBondContact O-OG1 3.1Å; E147-T150 WeakPolarHBondContact O-CB 3.43Å; E147-T150 PolarHBondContact O-N 3.08Å; T150-S152 VanDerWaalsContact C-N 3.31Å; T150-S152 PolarHBondContact O-N 3.45Å; T150-N153 PolarHBondContact O-N 3.47Å; T150-I154 HydrophobicContact CG2-CD1 3.91Å; T150-I154 WeakPolarHBondContact O-CG1 3.43Å; T150-I154 PolarHBondContact O-N 2.8Å
151	Q	93.2	Very high	91	Very high	70 Å²	70	62.6 Å²	62.6	33%	0.327	30%	0.3	S	S	.	.	H	α-helix	trans	-61.5	-39.2	178.5	-69	-61.1	-24.1	0	0	112.3	E147 W149 K155	E147-Q151 HydrophobicContact CG-CG 4.44Å; E147-Q151 WeakPolarHBondContact O-CB 3.26Å; E147-Q151 WeakPolarHBondContact O-CG 3.41Å; E147-Q151 PolarHBondContact O-N 3.16Å; W149-Q151 PolarHBondContact O-N 3.43Å; Q151-K155 WeakPolarHBondContact O-CB 3.41Å; Q151-K155 PolarHBondContact O-N 3.16Å
152	S	94.2	Very high	91.6	Very high	57 Å²	57	58.1 Å²	58.1	40%	0.399	28%	0.281	S	S	.	.	H	α-helix	trans	-64.7	-40	176.4	78.7	0	0	0	0	112.4	S148 W149 T150 H156	S148-S152 WeakPolarHBondContact O-CB 3.44Å; S148-S152 PolarHBondContact O-N 2.83Å; S148-S152 PolarHBondContact O-OG 3.13Å; W149-S152 PolarHBondContact O-N 2.95Å; W149-S152 PolarHBondContact O-OG 3.19Å; T150-S152 VanDerWaalsContact C-N 3.31Å; T150-S152 PolarHBondContact O-N 3.45Å; S152-H156 WeakPolarHBondContact O-CB 3.34Å; S152-H156 PolarHBondContact O-N 3.35Å
153	N	93.3	Very high	92.1	Very high	11 Å²	11	57.3 Å²	57.3	6%	0.059	28%	0.278	C	S	.	.	H	α-helix	trans	-70.1	-42.7	177.6	-70.2	-26.9	0	0	0	111.8	P93 G95 W149 T150 K155 H156 M157	P93-N153 HydrophobicContact CB-CB 4.12Å; P93-N153 WeakPolarHBondContact O-CB 3.39Å; P93-N153 PolarHBondContact O-ND2 2.94Å; G95-N153 PolarHBondContact N-ND2 2.82Å; W149-N153 WeakPolarHBondContact CZ2-ND2 3.47Å; W149-N153 PolarHBondContact NE1-ND2 3.3Å; W149-N153 PolarHBondContact O-N 2.81Å; W149-N153 PolarHBondContact O-ND2 3.33Å; T150-N153 PolarHBondContact O-N 3.47Å; N153-K155 VanDerWaalsContact C-N 3.33Å; N153-K155 PolarHBondContact O-N 3.37Å; N153-H156 PolarHBondContact O-N 3.02Å; N153-H156 VanDerWaalsContact O-N 3.16Å; N153-M157 WeakPolarHBondContact O-CB 3.29Å; N153-M157 WeakPolarHBondContact O-CG 3.37Å; N153-M157 PolarHBondContact O-N 3.44Å
154	I	95.7	Very high	92.5	Very high	10 Å²	10	50.2 Å²	50.2	5%	0.051	24%	0.24	C	C	.	.	H	α-helix	trans	-54.9	-51.4	173.6	-73.1	172.6	0	0	0	109.9	P93 W128 A130 T150 H156 M157 R158 T175	P93-I154 HydrophobicContact CB-CD1 4.49Å; P93-I154 HydrophobicContact CB-CG1 3.64Å; P93-I154 HydrophobicContact CG-CD1 4.38Å; P93-I154 HydrophobicContact CG-CG1 4.04Å; W128-I154 HydrophobicContact CB-CD1 3.84Å; W128-I154 HydrophobicContact CB-CG1 3.92Å; W128-I154 HydrophobicContact CD2-CB 4.26Å; W128-I154 HydrophobicContact CD2-CG1 3.82Å; W128-I154 HydrophobicContact CD2-CG2 3.96Å; W128-I154 HydrophobicContact CE3-CG1 4.22Å; W128-I154 HydrophobicContact CG-CB 4.39Å; W128-I154 HydrophobicContact CG-CD1 3.86Å; W128-I154 HydrophobicContact CG-CG1 3.64Å; W128-I154 HydrophobicContact CG-CG2 4.04Å; W128-I154 HydrophobicContact CZ2-CG2 4.2Å; A130-I154 HydrophobicContact CB-CD1 4.3Å; T150-I154 HydrophobicContact CG2-CD1 3.91Å; T150-I154 WeakPolarHBondContact O-CG1 3.43Å; T150-I154 PolarHBondContact O-N 2.8Å; I154-H156 VanDerWaalsContact C-N 3.3Å; I154-H156 PolarHBondContact O-N 3.39Å; I154-M157 PolarHBondContact O-N 3.32Å; I154-R158 VanDerWaalsContact O-CB 3.23Å; I154-R158 WeakPolarHBondContact O-CB 3.48Å; I154-R158 PolarHBondContact O-N 3.03Å; I154-T175 HydrophobicContact CD1-CG2 3.51Å
155	K	95.8	Very high	92.7	Very high	167 Å²	167	46.6 Å²	46.6	73%	0.726	22%	0.222	S	C	*	.	H	α-helix	trans	-59	-41.8	178	-175.7	177.3	-179	177	0	112.1	Q151 N153 K159	Q151-K155 WeakPolarHBondContact O-CB 3.41Å; Q151-K155 PolarHBondContact O-N 3.16Å; N153-K155 VanDerWaalsContact C-N 3.33Å; N153-K155 PolarHBondContact O-N 3.37Å; K155-K159 PolarHBondContact O-N 3.38Å
156	H	94.5	Very high	92.9	Very high	56 Å²	56	45 Å²	45	26%	0.259	22%	0.215	S	C	.	.	H	α-helix	trans	-67.4	-51.4	178.8	-174.5	75.5	0	0	0	112	S152 N153 I154 R158 K159 Q160	S152-H156 WeakPolarHBondContact O-CB 3.34Å; S152-H156 PolarHBondContact O-N 3.35Å; N153-H156 PolarHBondContact O-N 3.02Å; N153-H156 VanDerWaalsContact O-N 3.16Å; I154-H156 VanDerWaalsContact C-N 3.3Å; I154-H156 PolarHBondContact O-N 3.39Å; H156-R158 VanDerWaalsContact C-N 3.35Å; H156-R158 PolarHBondContact O-N 3.22Å; H156-K159 CarbonylContact O-C 3.47Å; H156-K159 WeakPolarHBondContact O-CA 3.47Å; H156-K159 WeakPolarHBondContact O-CB 3.49Å; H156-K159 PolarHBondContact O-N 2.9Å; H156-K159 VanDerWaalsContact O-N 3.09Å; H156-Q160 PolarHBondContact CD2-OE1 3.07Å; H156-Q160 WeakPolarHBondContact O-CG 3.41Å; H156-Q160 PolarHBondContact O-N 3.42Å
157	M	95	Very high	93.1	Very high	2 Å²	2	45.9 Å²	45.9	1%	0.01	22%	0.221	C	C	.	.	H	α-helix	trans	-64.3	-38.1	-179.9	-69.7	167.4	71.2	0	0	111.7	P91 P93 G95 L97 W128 N153 I154 K159 Q160 L161	P91-M157 HydrophobicContact CB-CE 3.56Å; P91-M157 HydrophobicContact CG-CE 3.66Å; P93-M157 HydrophobicContact CB-SD 4.17Å; G95-M157 VanDerWaalsContact O-CG 3.25Å; G95-M157 WeakPolarHBondContact O-CG 2.9Å; L97-M157 HydrophobicContact CD2-CB 4.46Å; L97-M157 HydrophobicContact CD2-CE 3.51Å; L97-M157 HydrophobicContact CD2-CG 4.28Å; L97-M157 HydrophobicContact CG-CB 4.36Å; L97-M157 HydrophobicContact CG-CE 4.42Å; L97-M157 HydrophobicContact CG-CG 4.2Å; W128-M157 HydrophobicContact CE3-CE 4.32Å; W128-M157 HydrophobicContact CH2-CB 3.63Å; W128-M157 HydrophobicContact CZ3-CB 3.43Å; W128-M157 VanDerWaalsContact CZ3-CB 3.43Å; W128-M157 HydrophobicContact CZ3-CE 3.8Å; W128-M157 HydrophobicContact CZ3-CG 4.37Å; W128-M157 HydrophobicContact CZ3-SD 4.11Å; N153-M157 WeakPolarHBondContact O-CB 3.29Å; N153-M157 WeakPolarHBondContact O-CG 3.37Å; N153-M157 PolarHBondContact O-N 3.44Å; I154-M157 PolarHBondContact O-N 3.32Å; M157-K159 VanDerWaalsContact C-N 3.26Å; M157-K159 PolarHBondContact O-N 3.31Å; M157-Q160 WeakPolarHBondContact O-CB 3.29Å; M157-Q160 PolarHBondContact O-N 2.81Å; M157-Q160 VanDerWaalsContact O-N 3.08Å; M157-L161 WeakPolarHBondContact O-CG 3.49Å; M157-L161 PolarHBondContact O-N 2.93Å
158	R	94.9	Very high	93.3	Very high	87 Å²	87	42.1 Å²	42.1	33%	0.328	20%	0.203	S	C	.	.	H	α-helix	trans	-57.3	-42.1	172.3	-171.6	-179.6	175.5	104.1	-11	111.1	W128 I154 H156 D162 W170 E173	W128-R158 HydrophobicContact CH2-CB 4.16Å; W128-R158 HydrophobicContact CZ2-CB 3.8Å; W128-R158 HydrophobicContact CZ2-CG 4.41Å; I154-R158 VanDerWaalsContact O-CB 3.23Å; I154-R158 WeakPolarHBondContact O-CB 3.48Å; I154-R158 PolarHBondContact O-N 3.03Å; H156-R158 VanDerWaalsContact C-N 3.35Å; H156-R158 PolarHBondContact O-N 3.22Å; R158-D162 WeakPolarHBondContact O-CB 3.32Å; R158-D162 PolarHBondContact O-N 3.4Å; R158-W170 HydrophobicContact CG-CH2 4.17Å; R158-W170 HydrophobicContact CG-CZ2 4.38Å; R158-W170 HydrophobicContact CG-CZ3 4.44Å; R158-E173 IonicContact CZ-OE1 3.38Å; R158-E173 IonicContact CZ-OE2 2.84Å; R158-E173 IonicContact NH1-OE1 2.73Å; R158-E173 PolarHBondContact NH1-OE1 3.18Å; R158-E173 IonicContact NH1-OE2 3.51Å; R158-E173 PolarHBondContact NH1-OE2 3.39Å; R158-E173 IonicContact NH2-OE2 3.83Å
159	K	94.2	Very high	93.4	Very high	108 Å²	108	38.9 Å²	38.9	47%	0.47	18%	0.181	S	C	.	.	H	α-helix	trans	-67.5	-36.8	174.7	-171.1	-175.7	-178.1	-172	0	112.4	K155 H156 M157 D162 R163	K155-K159 PolarHBondContact O-N 3.38Å; H156-K159 CarbonylContact O-C 3.47Å; H156-K159 WeakPolarHBondContact O-CA 3.47Å; H156-K159 WeakPolarHBondContact O-CB 3.49Å; H156-K159 PolarHBondContact O-N 2.9Å; H156-K159 VanDerWaalsContact O-N 3.09Å; M157-K159 VanDerWaalsContact C-N 3.26Å; M157-K159 PolarHBondContact O-N 3.31Å; K159-D162 WeakPolarHBondContact O-CB 3.43Å; K159-R163 WeakPolarHBondContact O-CB 3.25Å; K159-R163 VanDerWaalsContact O-CG 3.26Å; K159-R163 WeakPolarHBondContact O-CG 3.18Å; K159-R163 PolarHBondContact O-N 2.96Å
160	Q	93.6	Very high	93.6	Very high	2 Å²	2	39.3 Å²	39.3	1%	0.009	18%	0.182	C	C	.	.	H	α-helix	trans	-66	-46.2	174.8	-66.4	-172.4	-71.2	0	0	111.3	L97 H156 M157 D162 R163 L164 E651	L97-Q160 HydrophobicContact CD1-CB 3.63Å; L97-Q160 HydrophobicContact CG-CB 4.24Å; H156-Q160 PolarHBondContact CD2-OE1 3.07Å; H156-Q160 WeakPolarHBondContact O-CG 3.41Å; H156-Q160 PolarHBondContact O-N 3.42Å; M157-Q160 WeakPolarHBondContact O-CB 3.29Å; M157-Q160 PolarHBondContact O-N 2.81Å; M157-Q160 VanDerWaalsContact O-N 3.08Å; Q160-D162 VanDerWaalsContact C-N 3.29Å; Q160-D162 PolarHBondContact O-N 2.93Å; Q160-R163 PolarHBondContact O-N 3.41Å; Q160-L164 WeakPolarHBondContact O-CD1 3.32Å; Q160-L164 VanDerWaalsContact O-CG 3.23Å; Q160-L164 WeakPolarHBondContact O-CG 3.19Å; Q160-L164 PolarHBondContact O-N 3.21Å; Q160-E651 HydrophobicContact CG-CG 4.4Å
161	L	94.1	Very high	93.5	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	20%	0.2	C	C	.	.	H	α-helix	trans	-58.9	-42.6	175.7	-67.8	175.1	0	0	0	111.5	L97 Y105 M126 W128 M157 L164 L166 F168 W170	L97-L161 HydrophobicContact CD1-CD2 3.55Å; L97-L161 HydrophobicContact CD1-CG 3.84Å; Y105-L161 HydrophobicContact CD2-CD2 3.49Å; Y105-L161 VanDerWaalsContact CD2-CD2 3.49Å; Y105-L161 HydrophobicContact CE2-CD2 4Å; Y105-L161 HydrophobicContact CG-CD2 4.35Å; M126-L161 HydrophobicContact CG-CD1 4.1Å; W128-L161 HydrophobicContact CH2-CD1 3.89Å; M157-L161 WeakPolarHBondContact O-CG 3.49Å; M157-L161 PolarHBondContact O-N 2.93Å; L161-L164 PolarHBondContact O-N 2.96Å; L161-L166 HydrophobicContact CD2-CD1 3.72Å; L161-L166 PolarHBondContact O-N 3.44Å; L161-F168 HydrophobicContact CB-CE2 4.45Å; L161-F168 HydrophobicContact CD1-CE2 4.11Å; L161-F168 HydrophobicContact CD2-CE2 4.24Å; L161-F168 HydrophobicContact CG-CE2 4.49Å; L161-W170 HydrophobicContact CB-CZ2 4.3Å; L161-W170 HydrophobicContact CD1-CH2 3.75Å; L161-W170 HydrophobicContact CD1-CZ2 4.17Å
162	D	92	Very high	93.6	Very high	43 Å²	43	41 Å²	41	23%	0.23	19%	0.191	C	C	.	.	H	α-helix	trans	-57.2	-56.1	172.9	-171.9	60.6	0	0	0	110.5	H64 K68 R158 K159 Q160 L164 G165	H64-D162 PolarHBondContact CE1-O 2.74Å; H64-D162 PolarHBondContact NE2-O 2.82Å; K68-D162 WeakPolarHBondContact CD-OD1 3.44Å; K68-D162 VanDerWaalsContact CE-OD1 3.27Å; K68-D162 WeakPolarHBondContact CE-OD1 3.43Å; K68-D162 IonicContact NZ-OD1 2.74Å; K68-D162 PolarHBondContact NZ-OD1 2.65Å; K68-D162 IonicContact NZ-OD2 2.8Å; R158-D162 WeakPolarHBondContact O-CB 3.32Å; R158-D162 PolarHBondContact O-N 3.4Å; K159-D162 WeakPolarHBondContact O-CB 3.43Å; Q160-D162 VanDerWaalsContact C-N 3.29Å; Q160-D162 PolarHBondContact O-N 2.93Å; D162-L164 PolarHBondContact O-N 3.49Å; D162-L164 VanDerWaalsContact O-N 3.1Å; D162-G165 PolarHBondContact O-N 3.19Å
163	R	91.4	Very high	93.8	Very high	105 Å²	105	40.9 Å²	40.9	40%	0.396	18%	0.184	S	C	.	.	H	α-helix	trans	-57.7	-27	178.8	-75.7	170.2	164.2	-170.8	-13.7	114.4	K159 Q160 G165 E651 I659	K159-R163 WeakPolarHBondContact O-CB 3.25Å; K159-R163 VanDerWaalsContact O-CG 3.26Å; K159-R163 WeakPolarHBondContact O-CG 3.18Å; K159-R163 PolarHBondContact O-N 2.96Å; Q160-R163 PolarHBondContact O-N 3.41Å; R163-G165 PolarHBondContact O-N 3.42Å; R163-E651 WeakPolarHBondContact CD-OE1 3.38Å; R163-E651 IonicContact CZ-OE1 3.98Å; R163-E651 IonicContact NE-OE1 2.67Å; R163-E651 IonicContact NH1-OE1 3.82Å; R163-E651 PolarHBondContact NH1-OE1 3.36Å; R163-E651 IonicContact NH1-OE2 3.68Å; R163-E651 PolarHBondContact NH1-OE2 3.3Å; R163-I659 VanDerWaalsContact O-CD1 3.28Å; R163-I659 WeakPolarHBondContact O-CD1 3.44Å
164	L	91.8	Very high	94	Very high	9 Å²	9	40.8 Å²	40.8	5%	0.047	18%	0.183	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.9	-0.9	174.9	-70.4	164.3	0	0	0	113.4	L97 V102 Q160 L161 D162 L166 P650 V654 I659	L97-L164 HydrophobicContact CD1-CD1 4.12Å; V102-L164 HydrophobicContact CG1-CD1 4.34Å; V102-L164 HydrophobicContact CG1-CD2 4.12Å; V102-L164 HydrophobicContact CG2-CD1 3.91Å; V102-L164 HydrophobicContact CG2-CD2 4.37Å; Q160-L164 WeakPolarHBondContact O-CD1 3.32Å; Q160-L164 VanDerWaalsContact O-CG 3.23Å; Q160-L164 WeakPolarHBondContact O-CG 3.19Å; Q160-L164 PolarHBondContact O-N 3.21Å; L161-L164 PolarHBondContact O-N 2.96Å; D162-L164 PolarHBondContact O-N 3.49Å; D162-L164 VanDerWaalsContact O-N 3.1Å; L164-L166 HydrophobicContact CB-CD1 3.88Å; L164-L166 HydrophobicContact CB-CG 3.99Å; L164-L166 HydrophobicContact CD1-CD1 4.19Å; L164-L166 PolarHBondContact O-N 2.97Å; L164-P650 HydrophobicContact CD1-CB 4.36Å; L164-P650 HydrophobicContact CD2-CB 3.98Å; L164-V654 HydrophobicContact CD2-CG2 3.67Å; L164-I659 WeakPolarHBondContact O-CG2 3.3Å
165	G	91.3	Very high	94.1	Very high	5 Å²	5	40.9 Å²	40.9	5%	0.052	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	69.7	20	179.1	0	0	0	0	0	113.6	H64 R113 D162 R163	H64-G165 VanDerWaalsContact CE1-CA 3.49Å; H64-G165 WeakPolarHBondContact CE1-CA 3.21Å; R113-G165 PolarHBondContact NH2-O 3.36Å; D162-G165 PolarHBondContact O-N 3.19Å; R163-G165 PolarHBondContact O-N 3.42Å
166	L	93.3	Very high	94.2	Very high	5 Å²	5	33 Å²	33	3%	0.026	15%	0.15	C	C	.	.			trans	-81.6	131.3	179.2	-62.5	166.5	0	0	0	109.6	D109 L161 L164 F168	D109-L166 HydrophobicContact CB-CD2 3.91Å; L161-L166 HydrophobicContact CD2-CD1 3.72Å; L161-L166 PolarHBondContact O-N 3.44Å; L164-L166 HydrophobicContact CB-CD1 3.88Å; L164-L166 HydrophobicContact CB-CG 3.99Å; L164-L166 HydrophobicContact CD1-CD1 4.19Å; L164-L166 PolarHBondContact O-N 2.97Å; L166-F168 HydrophobicContact CB-CD2 4.4Å; L166-F168 HydrophobicContact CB-CE2 3.79Å; L166-F168 HydrophobicContact CB-CZ 4.39Å; L166-F168 HydrophobicContact CD1-CE2 4.44Å
167	C	92.6	Very high	94.3	Very high	19 Å²	19	30.7 Å²	30.7	13%	0.128	14%	0.14	C	C	.	.			trans	-109.9	112.1	-178.7	-70.1	0	0	0	0	110.5	A71 D109 R113 N124	A71-C167 HydrophobicContact CB-CB 3.62Å; D109-C167 WeakPolarHBondContact OD1-CB 3.3Å; D109-C167 PolarHBondContact OD1-N 2.73Å; R113-C167 PolarHBondContact NH2-SG 2.84Å; N124-C167 PolarHBondContact ND2-O 2.84Å
168	F	94.7	Very high	94.4	Very high	15 Å²	15	33 Å²	33	7%	0.066	15%	0.153	C	C	.	.			trans	-111.2	159.2	173.9	-62	-75.4	0	0	0	111.2	Y105 N124 M126 L161 L166 W170	Y105-F168 HydrophobicContact CD1-CZ 4.24Å; Y105-F168 HydrophobicContact CG-CZ 4.05Å; N124-F168 WeakPolarHBondContact ND2-CD1 3.33Å; N124-F168 CarbonylContact O-C 3.58Å; N124-F168 WeakPolarHBondContact O-CA 3.41Å; N124-F168 WeakPolarHBondContact O-CB 3.33Å; N124-F168 WeakPolarHBondContact O-CD1 3.29Å; M126-F168 HydrophobicContact CB-CB 3.87Å; M126-F168 HydrophobicContact CB-CD1 3.71Å; M126-F168 HydrophobicContact CB-CD2 3.98Å; M126-F168 HydrophobicContact CB-CE1 4.19Å; M126-F168 HydrophobicContact CB-CE2 4.42Å; M126-F168 HydrophobicContact CB-CG 3.58Å; M126-F168 HydrophobicContact CB-CZ 4.5Å; M126-F168 HydrophobicContact CE-CD1 4.12Å; M126-F168 HydrophobicContact CE-CE1 3.45Å; M126-F168 VanDerWaalsContact CE-CE1 3.45Å; M126-F168 HydrophobicContact CE-CE2 4.3Å; M126-F168 HydrophobicContact CE-CZ 3.54Å; M126-F168 HydrophobicContact CG-CD2 4.31Å; M126-F168 HydrophobicContact CG-CE2 4.36Å; M126-F168 HydrophobicContact CG-CG 4.37Å; M126-F168 HydrophobicContact CG-CZ 4.48Å; L161-F168 HydrophobicContact CB-CE2 4.45Å; L161-F168 HydrophobicContact CD1-CE2 4.11Å; L161-F168 HydrophobicContact CD2-CE2 4.24Å; L161-F168 HydrophobicContact CG-CE2 4.49Å; L166-F168 HydrophobicContact CB-CD2 4.4Å; L166-F168 HydrophobicContact CB-CE2 3.79Å; L166-F168 HydrophobicContact CB-CZ 4.39Å; L166-F168 HydrophobicContact CD1-CE2 4.44Å; F168-W170 HydrophobicContact CB-CD2 4.14Å; F168-W170 HydrophobicContact CB-CG 4.48Å; F168-W170 HydrophobicContact CB-CZ2 4.24Å; F168-W170 HydrophobicContact CD2-CH2 4.14Å; F168-W170 AromaticContact CD2-CZ2 3.61Å; F168-W170 HydrophobicContact CD2-CZ2 3.61Å; F168-W170 HydrophobicContact CE2-CZ2 4.46Å; F168-W170 HydrophobicContact CG-CZ2 4.35Å; F168-W170 PolarHBondContact O-N 3.05Å
169	S	93.8	Very high	94.5	Very high	11 Å²	11	31.7 Å²	31.7	8%	0.077	16%	0.155	C	C	.	.			trans	-72.1	72.7	168.2	-58.7	0	0	0	0	109.7	N124 D171 R172	N124-S169 PolarHBondContact N-OG 3.21Å; N124-S169 PolarHBondContact O-N 3.37Å; S169-D171 WeakPolarHBondContact CA-OD1 3.41Å; S169-D171 WeakPolarHBondContact CB-OD1 3.32Å; S169-D171 PolarHBondContact O-N 3.35Å; S169-R172 WeakPolarHBondContact O-CA 3.44Å; S169-R172 WeakPolarHBondContact O-CB 3.25Å; S169-R172 PolarHBondContact O-N 2.9Å
170	W	93.3	Very high	94.6	Very high	44 Å²	44	31.2 Å²	31.2	17%	0.167	16%	0.158	C	C	.	.	G	3₁₀ helix	trans	-67.3	-16.3	-175.4	-70.7	118.9	0	0	0	114.4	M126 W128 R158 L161 F168 R172 E173	M126-W170 HydrophobicContact CB-CE3 4.49Å; M126-W170 HydrophobicContact CB-CH2 4.03Å; M126-W170 HydrophobicContact CB-CZ3 3.89Å; M126-W170 HydrophobicContact CG-CH2 3.84Å; M126-W170 HydrophobicContact CG-CZ3 3.98Å; W128-W170 HydrophobicContact CZ2-CH2 4.19Å; W128-W170 HydrophobicContact CZ2-CZ3 4.21Å; R158-W170 HydrophobicContact CG-CH2 4.17Å; R158-W170 HydrophobicContact CG-CZ2 4.38Å; R158-W170 HydrophobicContact CG-CZ3 4.44Å; L161-W170 HydrophobicContact CB-CZ2 4.3Å; L161-W170 HydrophobicContact CD1-CH2 3.75Å; L161-W170 HydrophobicContact CD1-CZ2 4.17Å; F168-W170 HydrophobicContact CB-CD2 4.14Å; F168-W170 HydrophobicContact CB-CG 4.48Å; F168-W170 HydrophobicContact CB-CZ2 4.24Å; F168-W170 HydrophobicContact CD2-CH2 4.14Å; F168-W170 AromaticContact CD2-CZ2 3.61Å; F168-W170 HydrophobicContact CD2-CZ2 3.61Å; F168-W170 HydrophobicContact CE2-CZ2 4.46Å; F168-W170 HydrophobicContact CG-CZ2 4.35Å; F168-W170 PolarHBondContact O-N 3.05Å; W170-R172 PolarHBondContact O-N 2.98Å; W170-E173 HydrophobicContact CE3-CB 4.35Å; W170-E173 HydrophobicContact CE3-CG 4.49Å; W170-E173 WeakPolarHBondContact O-CB 3.42Å; W170-E173 PolarHBondContact O-N 2.93Å
171	D	91.9	Very high	94.8	Very high	68 Å²	68	31.4 Å²	31.4	36%	0.364	16%	0.158	S	C	.	.	G	3₁₀ helix	trans	-61.9	-17.8	166	65	-55.6	0	0	0	112.3	I74 S169 H537	I74-D171 HydrophobicContact CD1-CB 4.12Å; I74-D171 WeakPolarHBondContact CD1-OD1 3.49Å; I74-D171 WeakPolarHBondContact CD1-OD2 3.14Å; S169-D171 WeakPolarHBondContact CA-OD1 3.41Å; S169-D171 WeakPolarHBondContact CB-OD1 3.32Å; S169-D171 PolarHBondContact O-N 3.35Å; D171-H537 PolarHBondContact O-NE2 3.09Å
172	R	94.8	Very high	95	Very high	37 Å²	37	31.8 Å²	31.8	14%	0.14	16%	0.16	C	C	.	.	G	3₁₀ helix	trans	-107.5	18	178.8	-61.8	169.2	179.2	-81.9	-5.4	113.4	P125 S169 W170 I174 Y533 T534 P536	P125-R172 HydrophobicContact CB-CB 4.17Å; S169-R172 WeakPolarHBondContact O-CA 3.44Å; S169-R172 WeakPolarHBondContact O-CB 3.25Å; S169-R172 PolarHBondContact O-N 2.9Å; W170-R172 PolarHBondContact O-N 2.98Å; R172-I174 PolarHBondContact O-N 3.13Å; R172-Y533 HydrophobicContact CB-CD1 4.48Å; R172-Y533 WeakPolarHBondContact CD-O 2.92Å; R172-Y533 PolarHBondContact NH1-O 3.27Å; R172-Y533 WeakPolarHBondContact O-CD1 3.4Å; R172-Y533 WeakPolarHBondContact O-CE1 3.48Å; R172-T534 PolarHBondContact NH1-O 3.21Å; R172-P536 HydrophobicContact CB-CG 3.87Å; R172-P536 HydrophobicContact CG-CG 4.02Å
173	E	97.2	Very high	95.3	Very high	55 Å²	55	32.3 Å²	32.3	26%	0.257	16%	0.16	S	C	.	.			trans	-60	136	178.2	-177.5	179.1	-137.5	0	0	111.8	M126 W128 R158 W170	M126-E173 WeakPolarHBondContact O-CA 3.27Å; W128-E173 PolarHBondContact NE1-OE1 3.05Å; R158-E173 IonicContact CZ-OE1 3.38Å; R158-E173 IonicContact CZ-OE2 2.84Å; R158-E173 IonicContact NH1-OE1 2.73Å; R158-E173 PolarHBondContact NH1-OE1 3.18Å; R158-E173 IonicContact NH1-OE2 3.51Å; R158-E173 PolarHBondContact NH1-OE2 3.39Å; R158-E173 IonicContact NH2-OE2 3.83Å; W170-E173 HydrophobicContact CE3-CB 4.35Å; W170-E173 HydrophobicContact CE3-CG 4.49Å; W170-E173 WeakPolarHBondContact O-CB 3.42Å; W170-E173 PolarHBondContact O-N 2.93Å
174	I	97.8	Very high	95.7	Very high	9 Å²	9	27.8 Å²	27.8	5%	0.046	14%	0.143	C	C	.	.			trans	-126.7	151.8	172.2	68.9	-175.6	0	0	0	109.5	F90 G127 W128 R172 Y181 Y529 R532 Y533 P536	F90-I174 HydrophobicContact CE2-CD1 4.48Å; G127-I174 CarbonylContact C-O 3.45Å; G127-I174 WeakPolarHBondContact CA-O 3.49Å; W128-I174 PolarHBondContact N-O 3.33Å; R172-I174 PolarHBondContact O-N 3.13Å; I174-Y181 HydrophobicContact CB-CD2 4.12Å; I174-Y181 HydrophobicContact CB-CE2 4.42Å; I174-Y181 HydrophobicContact CD1-CD2 4.32Å; I174-Y181 HydrophobicContact CD1-CE2 3.75Å; I174-Y181 HydrophobicContact CG1-CE2 4.43Å; I174-Y529 HydrophobicContact CD1-CD2 4.21Å; I174-R532 HydrophobicContact CG2-CG 3.97Å; I174-Y533 HydrophobicContact CB-CE1 4.29Å; I174-Y533 HydrophobicContact CD1-CD1 3.91Å; I174-Y533 HydrophobicContact CD1-CD2 4.41Å; I174-Y533 HydrophobicContact CD1-CE1 3.49Å; I174-Y533 VanDerWaalsContact CD1-CE1 3.49Å; I174-Y533 HydrophobicContact CD1-CE2 4.04Å; I174-Y533 HydrophobicContact CD1-CG 4.35Å; I174-Y533 HydrophobicContact CG1-CD1 4.17Å; I174-Y533 HydrophobicContact CG1-CE1 3.47Å; I174-Y533 VanDerWaalsContact CG1-CE1 3.47Å; I174-Y533 HydrophobicContact CG2-CD1 4.04Å; I174-Y533 HydrophobicContact CG2-CE1 4.1Å; I174-P536 HydrophobicContact CG2-CB 3.7Å
175	T	98	Very high	96	Very high	12 Å²	12	27.4 Å²	27.4	7%	0.074	14%	0.141	C	C	.	.	B	Isolated β-bridge	trans	-133	116.5	172.6	-58.7	0	0	0	0	108	W128 A130 I154 C177 L178 Y181	W128-T175 HydrophobicContact CB-CG2 4.37Å; A130-T175 HydrophobicContact CB-CG2 3.67Å; I154-T175 HydrophobicContact CD1-CG2 3.51Å; T175-C177 PolarHBondContact O-N 3.11Å; T175-C177 VanDerWaalsContact O-N 3.14Å; T175-L178 HydrophobicContact CG2-CD1 4.29Å; T175-L178 HydrophobicContact CG2-CG 3.94Å; T175-L178 PolarHBondContact O-N 3.13Å; T175-L178 VanDerWaalsContact O-N 3.09Å; T175-Y181 WeakPolarHBondContact O-CB 3.33Å
176	T	98	Very high	96.4	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	14%	0.139	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.1	-24.7	-168.8	60.5	0	0	0	0	113.7	F90 W128 D129 A130 F131 L178 Y181 D525	F90-T176 HydrophobicContact CE2-CG2 3.72Å; F90-T176 HydrophobicContact CZ-CG2 3.94Å; W128-T176 PolarHBondContact O-N 2.67Å; W128-T176 PolarHBondContact O-OG1 3.43Å; D129-T176 PolarHBondContact OD1-OG1 2.97Å; A130-T176 PolarHBondContact N-OG1 2.7Å; F131-T176 PolarHBondContact N-OG1 2.83Å; T176-L178 VanDerWaalsContact C-N 3.31Å; T176-L178 PolarHBondContact O-N 2.94Å; T176-Y181 VanDerWaalsContact CA-CD1 3.47Å; T176-Y181 HydrophobicContact CG2-CD1 4.07Å; T176-Y181 HydrophobicContact CG2-CE1 3.65Å; T176-Y181 HydrophobicContact CG2-CE2 4.5Å; T176-D525 HydrophobicContact CG2-CB 4.05Å
177	C	96.5	Very high	96.6	Very high	9 Å²	9	29.5 Å²	29.5	6%	0.061	15%	0.147	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.6	-1.7	178.7	77.7	0	0	0	0	115.2	A130 F131 T175 Y182 W455	A130-C177 HydrophobicContact CB-CB 3.76Å; A130-C177 VanDerWaalsContact CB-SG 3.52Å; F131-C177 HydrophobicContact CD1-CB 3.56Å; F131-C177 HydrophobicContact CD2-CB 4.05Å; F131-C177 HydrophobicContact CE1-CB 3.54Å; F131-C177 VanDerWaalsContact CE2-CA 3.46Å; F131-C177 HydrophobicContact CE2-CB 4.08Å; F131-C177 HydrophobicContact CG-CB 3.8Å; F131-C177 HydrophobicContact CZ-CB 3.82Å; T175-C177 PolarHBondContact O-N 3.11Å; T175-C177 VanDerWaalsContact O-N 3.14Å; C177-Y182 WeakPolarHBondContact O-CE1 3.42Å; C177-W455 HydrophobicContact CB-CH2 4.43Å; C177-W455 HydrophobicContact CB-CZ2 3.77Å
178	L	96.9	Very high	96.9	Very high	51 Å²	51	28.7 Å²	28.7	27%	0.267	14%	0.142	S	C	.	.	S	Bend	trans	-89.4	143.7	179.1	-66.4	-178.6	0	0	0	111.7	T175 T176 D180 Y181 Y182	T175-L178 HydrophobicContact CG2-CD1 4.29Å; T175-L178 HydrophobicContact CG2-CG 3.94Å; T175-L178 PolarHBondContact O-N 3.13Å; T175-L178 VanDerWaalsContact O-N 3.09Å; T176-L178 VanDerWaalsContact C-N 3.31Å; T176-L178 PolarHBondContact O-N 2.94Å; L178-D180 WeakPolarHBondContact CB-OD1 3.31Å; L178-D180 PolarHBondContact O-N 3.45Å; L178-Y181 WeakPolarHBondContact O-CB 3.19Å; L178-Y181 PolarHBondContact O-N 3.48Å; L178-Y182 WeakPolarHBondContact O-CD1 3.35Å; L178-Y182 PolarHBondContact O-N 3.48Å
179	P	96.8	Very high	97.1	Very high	58 Å²	58	28 Å²	28	38%	0.377	14%	0.139	S	C	.	.	H	α-helix	trans	-58.5	-30.6	-176.9	-21.9	29.7	0	0	0	114.8	Y181 Y182 K183 P478	P179-Y181 PolarHBondContact O-N 2.99Å; P179-Y182 VanDerWaalsContact CA-CZ 3.5Å; P179-Y182 HydrophobicContact CB-CE1 4.08Å; P179-Y182 HydrophobicContact CB-CE2 4.48Å; P179-Y182 HydrophobicContact CG-CE1 3.99Å; P179-Y182 WeakPolarHBondContact CG-OH 3.48Å; P179-Y182 VanDerWaalsContact N-CE1 3.29Å; P179-K183 WeakPolarHBondContact O-CB 3.49Å; P179-K183 PolarHBondContact O-N 3.46Å; P179-K183 VanDerWaalsContact O-N 3.13Å; P179-P478 HydrophobicContact CB-CG 3.96Å
180	D	96.6	Very high	97.3	Very high	99 Å²	99	27.6 Å²	27.6	53%	0.529	14%	0.136	S	C	.	.	H	α-helix	trans	-68.9	-20	176.8	60.9	-11.4	0	0	0	113.5	L178 W184	L178-D180 WeakPolarHBondContact CB-OD1 3.31Å; L178-D180 PolarHBondContact O-N 3.45Å; D180-W184 VanDerWaalsContact O-CD1 3.27Å; D180-W184 PolarHBondContact O-NE1 2.98Å
181	Y	98.4	Very high	97.5	Very high	5 Å²	5	27.6 Å²	27.6	2%	0.02	14%	0.137	C	C	.	.	H	α-helix	trans	-90.7	-62.3	169.7	-173.4	-88.3	0	0	0	111.8	I174 T175 T176 L178 P179 K183 W184 D525 W528 Y529 R532	I174-Y181 HydrophobicContact CB-CD2 4.12Å; I174-Y181 HydrophobicContact CB-CE2 4.42Å; I174-Y181 HydrophobicContact CD1-CD2 4.32Å; I174-Y181 HydrophobicContact CD1-CE2 3.75Å; I174-Y181 HydrophobicContact CG1-CE2 4.43Å; T175-Y181 WeakPolarHBondContact O-CB 3.33Å; T176-Y181 VanDerWaalsContact CA-CD1 3.47Å; T176-Y181 HydrophobicContact CG2-CD1 4.07Å; T176-Y181 HydrophobicContact CG2-CE1 3.65Å; T176-Y181 HydrophobicContact CG2-CE2 4.5Å; L178-Y181 WeakPolarHBondContact O-CB 3.19Å; L178-Y181 PolarHBondContact O-N 3.48Å; P179-Y181 PolarHBondContact O-N 2.99Å; Y181-K183 PolarHBondContact O-N 3.3Å; Y181-K183 VanDerWaalsContact O-N 3.16Å; Y181-W184 WeakPolarHBondContact O-CB 3.2Å; Y181-W184 PolarHBondContact O-N 3.21Å; Y181-D525 HydrophobicContact CE1-CB 4.07Å; Y181-D525 PolarHBondContact OH-O 3.14Å; Y181-W528 HydrophobicContact CD1-CZ2 4.18Å; Y181-W528 HydrophobicContact CD2-CH2 4.38Å; Y181-W528 HydrophobicContact CD2-CZ2 4.38Å; Y181-W528 AromaticContact CE1-CZ2 3.66Å; Y181-W528 HydrophobicContact CE1-CZ2 3.66Å; Y181-W528 AromaticContact CE2-CH2 3.96Å; Y181-W528 HydrophobicContact CE2-CH2 3.96Å; Y181-W528 AromaticContact CE2-CZ2 3.86Å; Y181-W528 HydrophobicContact CE2-CZ2 3.86Å; Y181-W528 AromaticContact CZ-CE2 3.76Å; Y181-W528 AromaticContact CZ-CZ2 3.48Å; Y181-W528 VanDerWaalsContact CZ-CZ2 3.48Å; Y181-Y529 VanDerWaalsContact OH-CA 3.25Å; Y181-Y529 WeakPolarHBondContact OH-CA 3.43Å; Y181-Y529 WeakPolarHBondContact OH-CB 3.32Å; Y181-R532 HydrophobicContact CD2-CG 3.93Å; Y181-R532 HydrophobicContact CE2-CB 3.92Å; Y181-R532 HydrophobicContact CE2-CG 3.83Å
182	Y	98.4	Very high	97.9	Very high	9 Å²	9	24.3 Å²	24.3	4%	0.035	12%	0.119	C	C	.	.	H	α-helix	trans	-71.7	-14.1	-168.2	69.2	-109.8	0	0	0	113.8	F131 C177 L178 P179 W184 T185 Q186 T457 P478 T480	F131-Y182 AromaticContact CE2-CD1 3.54Å; F131-Y182 HydrophobicContact CE2-CD1 3.54Å; F131-Y182 HydrophobicContact CE2-CE1 4.19Å; F131-Y182 HydrophobicContact CE2-CG 4Å; F131-Y182 AromaticContact CZ-CD1 3.82Å; F131-Y182 HydrophobicContact CZ-CD1 3.82Å; F131-Y182 AromaticContact CZ-CE1 3.98Å; F131-Y182 HydrophobicContact CZ-CE1 3.98Å; C177-Y182 WeakPolarHBondContact O-CE1 3.42Å; L178-Y182 WeakPolarHBondContact O-CD1 3.35Å; L178-Y182 PolarHBondContact O-N 3.48Å; P179-Y182 VanDerWaalsContact CA-CZ 3.5Å; P179-Y182 HydrophobicContact CB-CE1 4.08Å; P179-Y182 HydrophobicContact CB-CE2 4.48Å; P179-Y182 HydrophobicContact CG-CE1 3.99Å; P179-Y182 WeakPolarHBondContact CG-OH 3.48Å; P179-Y182 VanDerWaalsContact N-CE1 3.29Å; Y182-W184 PolarHBondContact O-N 2.98Å; Y182-T185 WeakPolarHBondContact O-CB 3.39Å; Y182-T185 PolarHBondContact O-N 3.31Å; Y182-Q186 WeakPolarHBondContact O-CG 3.43Å; Y182-Q186 PolarHBondContact O-N 3.18Å; Y182-T457 WeakPolarHBondContact CB-OG1 3.21Å; Y182-T457 HydrophobicContact CD2-CG2 4.35Å; Y182-T457 HydrophobicContact CG-CG2 4.47Å; Y182-P478 HydrophobicContact CD2-CB 4.24Å; Y182-P478 HydrophobicContact CE2-CB 3.75Å; Y182-T480 WeakPolarHBondContact OH-CA 3.23Å
183	K	98.5	Very high	98	Very high	53 Å²	53	25.7 Å²	25.7	23%	0.23	13%	0.125	C	C	.	.	H	α-helix	trans	-48.9	-41.2	163.2	178.7	-178	-178.5	162.9	0	111	P179 Y181 Q186 Y187 L477 P478	P179-K183 WeakPolarHBondContact O-CB 3.49Å; P179-K183 PolarHBondContact O-N 3.46Å; P179-K183 VanDerWaalsContact O-N 3.13Å; Y181-K183 PolarHBondContact O-N 3.3Å; Y181-K183 VanDerWaalsContact O-N 3.16Å; K183-Q186 WeakPolarHBondContact O-CB 3.28Å; K183-Q186 PolarHBondContact O-N 2.93Å; K183-Y187 PolarHBondContact O-N 3.28Å; K183-L477 WeakPolarHBondContact CE-O 3.41Å; K183-L477 HydrophobicContact CG-CB 3.94Å; K183-L477 PolarHBondContact NZ-O 3.23Å; K183-P478 HydrophobicContact CB-CB 3.83Å; K183-P478 HydrophobicContact CB-CG 4.16Å; K183-P478 HydrophobicContact CG-CB 4.26Å
184	W	98.6	Very high	97.9	Very high	11 Å²	11	28.2 Å²	28.2	4%	0.042	14%	0.137	C	C	.	.	H	α-helix	trans	-81.6	-29.7	-177.7	-60	119.9	0	0	0	112.9	D180 Y181 Y182 Q186 Y187 L188 W528 N538 S539 H540 S541 P542	D180-W184 VanDerWaalsContact O-CD1 3.27Å; D180-W184 PolarHBondContact O-NE1 2.98Å; Y181-W184 WeakPolarHBondContact O-CB 3.2Å; Y181-W184 PolarHBondContact O-N 3.21Å; Y182-W184 PolarHBondContact O-N 2.98Å; W184-Q186 VanDerWaalsContact C-N 3.32Å; W184-Y187 HydrophobicContact CE3-CD1 4.49Å; W184-Y187 HydrophobicContact CE3-CD2 4.28Å; W184-Y187 AromaticContact CE3-CG 3.98Å; W184-Y187 HydrophobicContact CE3-CG 3.98Å; W184-Y187 HydrophobicContact CZ3-CD2 4.09Å; W184-Y187 HydrophobicContact CZ3-CG 4.27Å; W184-Y187 WeakPolarHBondContact O-CB 3.24Å; W184-Y187 PolarHBondContact O-N 3.16Å; W184-L188 VanDerWaalsContact O-CG 3.31Å; W184-L188 WeakPolarHBondContact O-CG 3.44Å; W184-L188 PolarHBondContact O-N 2.83Å; W184-W528 HydrophobicContact CB-CH2 3.38Å; W184-W528 HydrophobicContact CB-CZ2 3.76Å; W184-W528 HydrophobicContact CB-CZ3 4.21Å; W184-W528 HydrophobicContact CG-CH2 4.28Å; W184-N538 PolarHBondContact NE1-O 3.43Å; W184-S539 WeakPolarHBondContact CZ2-O 3.35Å; W184-H540 WeakPolarHBondContact CH2-O 3.49Å; W184-S541 VanDerWaalsContact CH2-CA 3.44Å; W184-S541 WeakPolarHBondContact CZ2-O 3.39Å; W184-P542 HydrophobicContact CB-CB 3.98Å; W184-P542 HydrophobicContact CB-CG 4.12Å; W184-P542 HydrophobicContact CD2-CB 4.32Å; W184-P542 HydrophobicContact CD2-CG 4.07Å; W184-P542 HydrophobicContact CE3-CB 4.38Å; W184-P542 VanDerWaalsContact CE3-CD 3.41Å; W184-P542 HydrophobicContact CE3-CG 3.63Å; W184-P542 HydrophobicContact CG-CB 4.17Å; W184-P542 HydrophobicContact CG-CG 4.3Å; W184-P542 HydrophobicContact CZ3-CG 4.43Å
185	T	98.7	Very high	97.8	Very high	1 Å²	1	30 Å²	30	1%	0.006	15%	0.153	C	C	.	.	H	α-helix	trans	-59.5	-45.9	165.2	-55.5	0	0	0	0	110.3	Y182 L188 F189 T457 M520 V524 D525 W528	Y182-T185 WeakPolarHBondContact O-CB 3.39Å; Y182-T185 PolarHBondContact O-N 3.31Å; T185-L188 PolarHBondContact O-N 2.89Å; T185-F189 PolarHBondContact O-N 2.89Å; T185-T457 HydrophobicContact CG2-CG2 4.08Å; T185-M520 HydrophobicContact CG2-SD 3.96Å; T185-V524 HydrophobicContact CG2-CB 4.41Å; T185-V524 HydrophobicContact CG2-CG1 3.69Å; T185-D525 WeakPolarHBondContact CB-OD1 3.36Å; T185-D525 VanDerWaalsContact CG2-OD1 3.29Å; T185-D525 WeakPolarHBondContact CG2-OD1 3.32Å; T185-D525 PolarHBondContact OG1-OD1 3.34Å; T185-W528 PolarHBondContact OG1-NE1 2.76Å; T185-W528 VanDerWaalsContact OG1-NE1 3.14Å
186	Q	98.8	Very high	97.6	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-61.9	-43.6	175.3	-71	175.4	-13.6	0	0	112	Y182 K183 W184 L188 F189 V190 T457 P458 P460 L477 V479	Y182-Q186 WeakPolarHBondContact O-CG 3.43Å; Y182-Q186 PolarHBondContact O-N 3.18Å; K183-Q186 WeakPolarHBondContact O-CB 3.28Å; K183-Q186 PolarHBondContact O-N 2.93Å; W184-Q186 VanDerWaalsContact C-N 3.32Å; Q186-L188 PolarHBondContact O-N 3.43Å; Q186-F189 PolarHBondContact O-N 3.18Å; Q186-V190 WeakPolarHBondContact O-CG2 3.32Å; Q186-V190 PolarHBondContact O-N 3.39Å; Q186-T457 HydrophobicContact CG-CG2 3.74Å; Q186-P458 WeakPolarHBondContact CG-O 3.4Å; Q186-P458 PolarHBondContact NE2-O 3.07Å; Q186-P460 HydrophobicContact CB-CB 4.12Å; Q186-P460 HydrophobicContact CB-CG 3.89Å; Q186-P460 HydrophobicContact CG-CB 4.24Å; Q186-P460 HydrophobicContact CG-CG 4.16Å; Q186-L477 HydrophobicContact CB-CD1 4.15Å; Q186-L477 HydrophobicContact CB-CD2 4.05Å; Q186-V479 PolarHBondContact NE2-O 3.08Å
187	Y	98.6	Very high	97.5	Very high	54 Å²	54	32.1 Å²	32.1	21%	0.212	17%	0.174	C	C	.	.	H	α-helix	trans	-55.7	-49.8	174	173.3	-83.6	0	0	0	111.5	K183 W184 F189 V190 K191 L474 P542 M583	K183-Y187 PolarHBondContact O-N 3.28Å; W184-Y187 HydrophobicContact CE3-CD1 4.49Å; W184-Y187 HydrophobicContact CE3-CD2 4.28Å; W184-Y187 AromaticContact CE3-CG 3.98Å; W184-Y187 HydrophobicContact CE3-CG 3.98Å; W184-Y187 HydrophobicContact CZ3-CD2 4.09Å; W184-Y187 HydrophobicContact CZ3-CG 4.27Å; W184-Y187 WeakPolarHBondContact O-CB 3.24Å; W184-Y187 PolarHBondContact O-N 3.16Å; Y187-F189 VanDerWaalsContact C-N 3.32Å; Y187-F189 PolarHBondContact O-N 3.05Å; Y187-V190 PolarHBondContact O-N 3.31Å; Y187-V190 VanDerWaalsContact O-N 3.17Å; Y187-K191 HydrophobicContact CD1-CG 4.15Å; Y187-K191 HydrophobicContact CE1-CG 3.68Å; Y187-K191 WeakPolarHBondContact O-CG 3.5Å; Y187-K191 PolarHBondContact O-N 3.46Å; Y187-K191 VanDerWaalsContact OH-CE 3.32Å; Y187-K191 WeakPolarHBondContact OH-CE 3.44Å; Y187-L474 HydrophobicContact CD2-CD1 4.26Å; Y187-L474 HydrophobicContact CD2-CD2 3.8Å; Y187-L474 HydrophobicContact CE2-CD1 3.89Å; Y187-L474 HydrophobicContact CE2-CD2 4.25Å; Y187-P542 HydrophobicContact CD1-CG 3.57Å; Y187-P542 HydrophobicContact CE1-CG 3.86Å; Y187-P542 HydrophobicContact CG-CG 4.31Å; Y187-M583 HydrophobicContact CE1-CE 4.33Å
188	L	98.6	Very high	97.5	Very high	1 Å²	1	31.9 Å²	31.9	1%	0.005	17%	0.172	C	C	.	.	H	α-helix	trans	-64.8	-37.1	-179.6	-70.3	169.4	0	0	0	111.6	W184 T185 Q186 K191 L192 W528 F574 M583	W184-L188 VanDerWaalsContact O-CG 3.31Å; W184-L188 WeakPolarHBondContact O-CG 3.44Å; W184-L188 PolarHBondContact O-N 2.83Å; T185-L188 PolarHBondContact O-N 2.89Å; Q186-L188 PolarHBondContact O-N 3.43Å; L188-K191 PolarHBondContact O-N 3.36Å; L188-L192 WeakPolarHBondContact O-CG 3.3Å; L188-L192 PolarHBondContact O-N 3.38Å; L188-W528 HydrophobicContact CD1-CB 4.2Å; L188-W528 HydrophobicContact CD1-CD2 3.58Å; L188-W528 HydrophobicContact CD1-CE3 4.01Å; L188-W528 HydrophobicContact CD1-CG 3.64Å; L188-F574 HydrophobicContact CB-CE1 3.96Å; L188-F574 HydrophobicContact CD1-CD1 4.23Å; L188-F574 HydrophobicContact CD1-CE1 3.97Å; L188-F574 HydrophobicContact CG-CE1 4.49Å; L188-M583 HydrophobicContact CD2-CE 3.99Å; L188-M583 HydrophobicContact CD2-SD 4.28Å
189	F	98.7	Very high	97.5	Very high	1 Å²	1	31.9 Å²	31.9	0%	0.004	17%	0.169	C	C	.	.	H	α-helix	trans	-61.8	-43.8	172.2	178.7	-87.7	0	0	0	112.2	T185 Q186 Y187 K191 L192 Y193 A198 W241 I449 I459 P460 I461 M520	T185-F189 PolarHBondContact O-N 2.89Å; Q186-F189 PolarHBondContact O-N 3.18Å; Y187-F189 VanDerWaalsContact C-N 3.32Å; Y187-F189 PolarHBondContact O-N 3.05Å; F189-K191 VanDerWaalsContact C-N 3.28Å; F189-K191 PolarHBondContact O-N 2.95Å; F189-L192 WeakPolarHBondContact O-CB 2.94Å; F189-L192 PolarHBondContact O-N 3.03Å; F189-Y193 WeakPolarHBondContact O-CB 3.38Å; F189-Y193 PolarHBondContact O-N 3.44Å; F189-A198 HydrophobicContact CD2-CB 4.15Å; F189-A198 HydrophobicContact CE2-CB 3.64Å; F189-A198 HydrophobicContact CZ-CB 3.88Å; F189-W241 HydrophobicContact CE2-CE3 4.39Å; F189-W241 HydrophobicContact CZ-CD2 4.09Å; F189-W241 AromaticContact CZ-CE3 3.68Å; F189-W241 HydrophobicContact CZ-CE3 3.68Å; F189-W241 HydrophobicContact CZ-CZ3 4.01Å; F189-I449 HydrophobicContact CD2-CD1 3.78Å; F189-I449 HydrophobicContact CE2-CD1 3.48Å; F189-I449 VanDerWaalsContact CE2-CD1 3.48Å; F189-I459 HydrophobicContact CE1-CG2 3.81Å; F189-I459 HydrophobicContact CE2-CG2 4.49Å; F189-I459 HydrophobicContact CZ-CG2 3.79Å; F189-P460 HydrophobicContact CD1-CG 3.7Å; F189-P460 HydrophobicContact CE1-CG 4.42Å; F189-P460 HydrophobicContact CG-CG 4.46Å; F189-I461 HydrophobicContact CE1-CD1 3.95Å; F189-I461 HydrophobicContact CE1-CG1 3.78Å; F189-I461 HydrophobicContact CZ-CG1 4.4Å; F189-M520 HydrophobicContact CB-CE 3.47Å; F189-M520 VanDerWaalsContact CB-CE 3.47Å; F189-M520 HydrophobicContact CB-SD 4.26Å; F189-M520 HydrophobicContact CD1-CE 4.05Å; F189-M520 HydrophobicContact CD2-CE 3.71Å; F189-M520 HydrophobicContact CD2-SD 4.25Å; F189-M520 HydrophobicContact CE2-CE 4.49Å; F189-M520 HydrophobicContact CG-CE 3.44Å; F189-M520 VanDerWaalsContact CG-CE 3.44Å; F189-M520 HydrophobicContact CG-SD 4.42Å
190	V	98.6	Very high	97.3	Very high	2 Å²	2	31 Å²	31	1%	0.012	16%	0.159	C	C	.	.	H	α-helix	trans	-60.8	-40.3	174.8	173.9	0	0	0	0	110.5	Q186 Y187 Y193 E194 P460 P471 L474	Q186-V190 WeakPolarHBondContact O-CG2 3.32Å; Q186-V190 PolarHBondContact O-N 3.39Å; Y187-V190 PolarHBondContact O-N 3.31Å; Y187-V190 VanDerWaalsContact O-N 3.17Å; V190-Y193 WeakPolarHBondContact O-CB 3.5Å; V190-Y193 PolarHBondContact O-N 2.89Å; V190-E194 HydrophobicContact CG1-CG 4.29Å; V190-E194 WeakPolarHBondContact O-CB 3.42Å; V190-E194 WeakPolarHBondContact O-CG 3.43Å; V190-E194 PolarHBondContact O-N 3.37Å; V190-P460 HydrophobicContact CG2-CB 4.3Å; V190-P460 HydrophobicContact CG2-CG 3.75Å; V190-P471 HydrophobicContact CG1-CB 4.11Å; V190-P471 HydrophobicContact CG2-CB 4.21Å; V190-L474 HydrophobicContact CB-CD2 4.02Å; V190-L474 HydrophobicContact CG1-CD2 3.78Å; V190-L474 HydrophobicContact CG2-CD2 4.45Å
191	K	98.3	Very high	96.9	Very high	44 Å²	44	29.5 Å²	29.5	19%	0.191	15%	0.148	C	C	.	.	H	α-helix	trans	-63.2	-40.2	174	-64.8	-49.2	-179.8	-173.7	0	113.3	Y187 L188 F189 Y193 E194 A195 F577	Y187-K191 HydrophobicContact CD1-CG 4.15Å; Y187-K191 HydrophobicContact CE1-CG 3.68Å; Y187-K191 WeakPolarHBondContact O-CG 3.5Å; Y187-K191 PolarHBondContact O-N 3.46Å; Y187-K191 VanDerWaalsContact OH-CE 3.32Å; Y187-K191 WeakPolarHBondContact OH-CE 3.44Å; L188-K191 PolarHBondContact O-N 3.36Å; F189-K191 VanDerWaalsContact C-N 3.28Å; F189-K191 PolarHBondContact O-N 2.95Å; K191-Y193 VanDerWaalsContact C-N 3.33Å; K191-E194 VanDerWaalsContact CD-OE2 3.23Å; K191-E194 WeakPolarHBondContact CD-OE2 3.41Å; K191-E194 IonicContact NZ-OE1 3.55Å; K191-E194 IonicContact NZ-OE2 2.67Å; K191-E194 PolarHBondContact NZ-OE2 3.47Å; K191-A195 WeakPolarHBondContact O-CB 3.38Å; K191-A195 PolarHBondContact O-N 2.87Å; K191-F577 HydrophobicContact CB-CE1 4.25Å; K191-F577 HydrophobicContact CB-CZ 3.93Å
192	L	98.4	Very high	96.4	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-63	-40.7	172.2	-72.6	164.3	0	0	0	111.4	L188 F189 A195 G196 L197 A198 I243 F573 F574 F577	L188-L192 WeakPolarHBondContact O-CG 3.3Å; L188-L192 PolarHBondContact O-N 3.38Å; F189-L192 WeakPolarHBondContact O-CB 2.94Å; F189-L192 PolarHBondContact O-N 3.03Å; L192-A195 PolarHBondContact O-N 3.43Å; L192-G196 PolarHBondContact O-N 3.36Å; L192-L197 HydrophobicContact CB-CB 4.36Å; L192-L197 HydrophobicContact CD2-CB 3.89Å; L192-L197 HydrophobicContact CD2-CD1 3.95Å; L192-L197 WeakPolarHBondContact O-CA 3.37Å; L192-L197 WeakPolarHBondContact O-CB 3.45Å; L192-L197 PolarHBondContact O-N 2.89Å; L192-A198 HydrophobicContact CB-CB 3.89Å; L192-A198 PolarHBondContact O-N 3.07Å; L192-I243 HydrophobicContact CD1-CD1 3.97Å; L192-I243 HydrophobicContact CD1-CG1 4.4Å; L192-I243 HydrophobicContact CD1-CG2 4.38Å; L192-F573 HydrophobicContact CD2-CE1 4.06Å; L192-F573 HydrophobicContact CD2-CZ 3.9Å; L192-F574 HydrophobicContact CD1-CE1 4.24Å; L192-F574 HydrophobicContact CD1-CZ 3.87Å; L192-F577 HydrophobicContact CD2-CD1 3.82Å; L192-F577 HydrophobicContact CD2-CD2 3.7Å; L192-F577 HydrophobicContact CD2-CE1 3.78Å; L192-F577 HydrophobicContact CD2-CE2 3.66Å; L192-F577 HydrophobicContact CD2-CG 3.78Å; L192-F577 HydrophobicContact CD2-CZ 3.7Å; L192-F577 HydrophobicContact CG-CD1 4.23Å; L192-F577 HydrophobicContact CG-CE1 3.81Å; L192-F577 HydrophobicContact CG-CE2 4.31Å; L192-F577 HydrophobicContact CG-CZ 3.85Å
193	Y	97.6	Very high	95.8	Very high	66 Å²	66	30.8 Å²	30.8	26%	0.259	16%	0.157	S	C	.	.	H	α-helix	trans	-64.9	-47.5	177.6	-178.6	-94.1	0	0	0	112	F189 V190 K191 A195 G196 A198 W241 I461 P469 P471	F189-Y193 WeakPolarHBondContact O-CB 3.38Å; F189-Y193 PolarHBondContact O-N 3.44Å; V190-Y193 WeakPolarHBondContact O-CB 3.5Å; V190-Y193 PolarHBondContact O-N 2.89Å; K191-Y193 VanDerWaalsContact C-N 3.33Å; Y193-A195 PolarHBondContact O-N 2.97Å; Y193-G196 PolarHBondContact O-N 3.15Å; Y193-A198 WeakPolarHBondContact CD2-O 3.26Å; Y193-W241 HydrophobicContact CD2-CH2 4.2Å; Y193-W241 AromaticContact CD2-CZ3 3.86Å; Y193-W241 HydrophobicContact CD2-CZ3 3.86Å; Y193-W241 AromaticContact CE2-CH2 3.93Å; Y193-W241 HydrophobicContact CE2-CH2 3.93Å; Y193-W241 AromaticContact CE2-CZ3 3.95Å; Y193-W241 HydrophobicContact CE2-CZ3 3.95Å; Y193-I461 HydrophobicContact CD2-CD1 4.25Å; Y193-I461 HydrophobicContact CE2-CD1 4.38Å; Y193-I461 HydrophobicContact CG-CD1 4.41Å; Y193-P469 PolarHBondContact OH-O 2.9Å; Y193-P469 VanDerWaalsContact OH-O 3.1Å; Y193-P471 HydrophobicContact CD1-CB 4.25Å; Y193-P471 HydrophobicContact CD1-CG 4Å; Y193-P471 HydrophobicContact CE1-CG 4Å
194	E	95.5	Very high	95.1	Very high	107 Å²	107	31.6 Å²	31.6	50%	0.5	16%	0.164	S	C	.	.	H	α-helix	trans	-58.7	-35.1	175.1	-72.4	174.6	169.2	0	0	112	V190 K191 G196	V190-E194 HydrophobicContact CG1-CG 4.29Å; V190-E194 WeakPolarHBondContact O-CB 3.42Å; V190-E194 WeakPolarHBondContact O-CG 3.43Å; V190-E194 PolarHBondContact O-N 3.37Å; K191-E194 VanDerWaalsContact CD-OE2 3.23Å; K191-E194 WeakPolarHBondContact CD-OE2 3.41Å; K191-E194 IonicContact NZ-OE1 3.55Å; K191-E194 IonicContact NZ-OE2 2.67Å; K191-E194 PolarHBondContact NZ-OE2 3.47Å; E194-G196 VanDerWaalsContact C-N 3.27Å; E194-G196 PolarHBondContact O-N 3.3Å
195	A	94.8	Very high	94.6	Very high	47 Å²	47	31.3 Å²	31.3	39%	0.388	16%	0.163	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.4	-3.2	175.3	0	0	0	0	0	114.2	K191 L192 Y193 L197 F577	K191-A195 WeakPolarHBondContact O-CB 3.38Å; K191-A195 PolarHBondContact O-N 2.87Å; L192-A195 PolarHBondContact O-N 3.43Å; Y193-A195 PolarHBondContact O-N 2.97Å; A195-L197 VanDerWaalsContact C-N 3.26Å; A195-L197 HydrophobicContact CB-CD1 4.09Å; A195-L197 HydrophobicContact CB-CG 4.18Å; A195-L197 PolarHBondContact O-N 2.89Å; A195-F577 HydrophobicContact CB-CE2 4.22Å
196	G	93.5	Very high	94	Very high	41 Å²	41	32 Å²	32	42%	0.423	17%	0.167	S	C	.	.	T	Hydrogen-bonded Turn	trans	72	18.8	-176.4	0	0	0	0	0	114.4	L192 Y193 E194 K244	L192-G196 PolarHBondContact O-N 3.36Å; Y193-G196 PolarHBondContact O-N 3.15Å; E194-G196 VanDerWaalsContact C-N 3.27Å; E194-G196 PolarHBondContact O-N 3.3Å; G196-K244 PolarHBondContact O-NZ 2.63Å
197	L	96.5	Very high	93.6	Very high	16 Å²	16	33.3 Å²	33.3	8%	0.084	17%	0.172	C	C	.	.			trans	-98.5	-26.9	179.1	-63.6	172.9	0	0	0	112.4	L192 A195 I243 K244 A247 Y248 F577	L192-L197 HydrophobicContact CB-CB 4.36Å; L192-L197 HydrophobicContact CD2-CB 3.89Å; L192-L197 HydrophobicContact CD2-CD1 3.95Å; L192-L197 WeakPolarHBondContact O-CA 3.37Å; L192-L197 WeakPolarHBondContact O-CB 3.45Å; L192-L197 PolarHBondContact O-N 2.89Å; A195-L197 VanDerWaalsContact C-N 3.26Å; A195-L197 HydrophobicContact CB-CD1 4.09Å; A195-L197 HydrophobicContact CB-CG 4.18Å; A195-L197 PolarHBondContact O-N 2.89Å; L197-I243 CarbonylContact O-C 3.54Å; L197-I243 WeakPolarHBondContact O-CA 3.42Å; L197-K244 HydrophobicContact CD2-CB 4.08Å; L197-K244 HydrophobicContact CD2-CD 4.38Å; L197-K244 WeakPolarHBondContact O-CB 3.5Å; L197-K244 PolarHBondContact O-N 3.43Å; L197-A247 HydrophobicContact CD2-CB 3.63Å; L197-Y248 HydrophobicContact CD1-CE2 3.81Å; L197-Y248 HydrophobicContact CD2-CE2 4.48Å; L197-F577 HydrophobicContact CD1-CD2 3.67Å; L197-F577 HydrophobicContact CD1-CE2 3.79Å
198	A	97.7	Very high	93	Very high	3 Å²	3	30.8 Å²	30.8	3%	0.025	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97	124.6	166.9	0	0	0	0	0	109.8	F189 L192 Y193 F242	F189-A198 HydrophobicContact CD2-CB 4.15Å; F189-A198 HydrophobicContact CE2-CB 3.64Å; F189-A198 HydrophobicContact CZ-CB 3.88Å; L192-A198 HydrophobicContact CB-CB 3.89Å; L192-A198 PolarHBondContact O-N 3.07Å; Y193-A198 WeakPolarHBondContact CD2-O 3.26Å; A198-F242 WeakPolarHBondContact CA-O 3.43Å
199	Y	95.1	Very high	92.4	Very high	52 Å²	52	32.6 Å²	32.6	20%	0.204	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.6	162.6	-176.2	72.2	-82.9	0	0	0	111.6	K201 W241 F242 K244 D446	Y199-K201 HydrophobicContact CD2-CG 4.46Å; Y199-K201 HydrophobicContact CE2-CB 4.28Å; Y199-K201 HydrophobicContact CE2-CD 3.8Å; Y199-K201 HydrophobicContact CE2-CG 3.83Å; Y199-K201 WeakPolarHBondContact OH-CE 3.47Å; Y199-K201 PolarHBondContact OH-NZ 3.21Å; Y199-W241 WeakPolarHBondContact O-CA 3.47Å; Y199-F242 HydrophobicContact CD1-CB 4.26Å; Y199-F242 HydrophobicContact CE1-CB 3.78Å; Y199-F242 HydrophobicContact CE2-CB 4.24Å; Y199-F242 PolarHBondContact N-O 3.13Å; Y199-F242 PolarHBondContact O-N 3.1Å; Y199-K244 HydrophobicContact CD1-CB 4.33Å; Y199-K244 HydrophobicContact CE1-CB 3.99Å; Y199-K244 HydrophobicContact CE1-CG 4.46Å; Y199-D446 WeakPolarHBondContact CE1-OD2 3.5Å; Y199-D446 PolarHBondContact OH-OD2 3.06Å
200	Q	93.2	Very high	91.6	Very high	38 Å²	38	37 Å²	37	18%	0.178	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	132	-179.8	-157.4	-172	39.8	0	0	110	R239 Q240 W241 E516	Q200-R239 HydrophobicContact CG-CG 3.86Å; Q200-Q240 VanDerWaalsContact CA-O 3.32Å; Q200-Q240 WeakPolarHBondContact CA-O 3.43Å; Q200-Q240 VanDerWaalsContact CG-O 3.23Å; Q200-Q240 WeakPolarHBondContact CG-O 3.33Å; Q200-W241 HydrophobicContact CB-CD2 3.96Å; Q200-W241 HydrophobicContact CB-CE3 4Å; Q200-W241 HydrophobicContact CB-CH2 4.14Å; Q200-W241 HydrophobicContact CB-CZ2 4.06Å; Q200-W241 HydrophobicContact CB-CZ3 4.11Å; Q200-W241 HydrophobicContact CG-CD2 4.08Å; Q200-W241 HydrophobicContact CG-CG 4.28Å; Q200-W241 HydrophobicContact CG-CZ2 4.34Å; Q200-E516 PolarHBondContact NE2-OE2 3.34Å
201	K	88.9	Confident	90.5	Very high	69 Å²	69	37.5 Å²	37.5	30%	0.3	20%	0.204	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	156.6	172.1	64.1	169.4	171.3	-172.4	0	111.2	Y199 R239 Q240 F242	Y199-K201 HydrophobicContact CD2-CG 4.46Å; Y199-K201 HydrophobicContact CE2-CB 4.28Å; Y199-K201 HydrophobicContact CE2-CD 3.8Å; Y199-K201 HydrophobicContact CE2-CG 3.83Å; Y199-K201 WeakPolarHBondContact OH-CE 3.47Å; Y199-K201 PolarHBondContact OH-NZ 3.21Å; K201-R239 WeakPolarHBondContact O-CA 3.32Å; K201-Q240 PolarHBondContact N-O 3.4Å; K201-Q240 VanDerWaalsContact N-O 3.08Å; K201-Q240 PolarHBondContact O-N 3.23Å; K201-F242 HydrophobicContact CD-CE2 4.48Å; K201-F242 HydrophobicContact CG-CD2 3.75Å; K201-F242 HydrophobicContact CG-CE2 3.64Å; K201-F242 HydrophobicContact CG-CZ 4.48Å
202	E	88.2	Confident	89.8	Confident	25 Å²	25	38.1 Å²	38.1	12%	0.117	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	130.7	163.1	-169.2	169	-113.2	0	0	108.5	L238 R319 G323 H324	E202-L238 WeakPolarHBondContact CA-O 3.44Å; E202-R319 WeakPolarHBondContact O-CD 3.3Å; E202-G323 WeakPolarHBondContact OE2-CA 3.32Å; E202-H324 IonicContact OE1-CE1 2.76Å; E202-H324 IonicContact OE1-CG 2.87Å; E202-H324 IonicContact OE1-ND1 3.17Å; E202-H324 PolarHBondContact OE1-ND1 3.3Å; E202-H324 PolarHBondContact OE2-N 3.06Å; E202-H324 VanDerWaalsContact OE2-N 3.1Å
203	A	84.8	Confident	88.9	Confident	15 Å²	15	38.1 Å²	38.1	12%	0.124	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	157	179.4	0	0	0	0	0	109.8	V205 Y237 L238 F242	A203-V205 HydrophobicContact CB-CG1 4.1Å; A203-V205 PolarHBondContact O-N 2.98Å; A203-Y237 WeakPolarHBondContact O-CA 3.16Å; A203-L238 PolarHBondContact N-O 2.77Å; A203-L238 PolarHBondContact O-N 3.08Å; A203-F242 HydrophobicContact CB-CE2 4.13Å; A203-F242 HydrophobicContact CB-CZ 3.7Å
204	L	85.1	Confident	88.3	Confident	71 Å²	71	35 Å²	35	37%	0.372	20%	0.195	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.4	119.1	164.5	-168.2	60.6	0	0	0	107.7	Q235 K236 Y237	L204-Q235 HydrophobicContact CD1-CB 3.72Å; L204-Q235 HydrophobicContact CD2-CB 4.24Å; L204-Q235 HydrophobicContact CD2-CG 4.48Å; L204-Q235 HydrophobicContact CG-CB 4Å; L204-K236 WeakPolarHBondContact CA-O 3.22Å; L204-Y237 HydrophobicContact CB-CD1 4.15Å; L204-Y237 HydrophobicContact CB-CE1 3.74Å; L204-Y237 HydrophobicContact CD1-CD1 4.14Å; L204-Y237 HydrophobicContact CD1-CD2 3.95Å; L204-Y237 HydrophobicContact CD1-CE1 3.88Å; L204-Y237 HydrophobicContact CD1-CE2 3.68Å; L204-Y237 HydrophobicContact CD1-CG 4.16Å; L204-Y237 HydrophobicContact CG-CE1 4.3Å
205	V	86.6	Confident	87.5	Confident	4 Å²	4	30 Å²	30	2%	0.024	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	147.9	-172.3	-56.1	0	0	0	0	111.5	A203 W207 V214 Q235 K236 L238 Q240 L448	A203-V205 HydrophobicContact CB-CG1 4.1Å; A203-V205 PolarHBondContact O-N 2.98Å; V205-W207 PolarHBondContact O-N 3.38Å; V205-V214 HydrophobicContact CB-CG1 3.83Å; V205-V214 HydrophobicContact CB-CG2 4.22Å; V205-V214 HydrophobicContact CG1-CG1 4.41Å; V205-V214 HydrophobicContact CG2-CB 4.45Å; V205-V214 HydrophobicContact CG2-CG1 4.07Å; V205-V214 HydrophobicContact CG2-CG2 3.52Å; V205-Q235 WeakPolarHBondContact O-CA 3.41Å; V205-K236 VanDerWaalsContact CG2-O 3.31Å; V205-K236 WeakPolarHBondContact CG2-O 3.5Å; V205-K236 PolarHBondContact N-O 3.46Å; V205-K236 PolarHBondContact O-N 3.13Å; V205-L238 HydrophobicContact CG2-CB 3.94Å; V205-L238 HydrophobicContact CG2-CD1 3.85Å; V205-L238 HydrophobicContact CG2-CG 4.09Å; V205-Q240 HydrophobicContact CG1-CG 4.14Å; V205-L448 HydrophobicContact CB-CD1 4.08Å; V205-L448 HydrophobicContact CG1-CD1 3.49Å; V205-L448 VanDerWaalsContact CG1-CD1 3.49Å
206	N	87.1	Confident	86.6	Confident	17 Å²	17	28 Å²	28	9%	0.091	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.3	119.1	171.8	-61.5	-41.7	0	0	0	108.8	V214 L215 N217 V220 V233 Q235	N206-V214 CarbonylContact O-C 3.53Å; N206-V214 VanDerWaalsContact O-CA 3.27Å; N206-V214 WeakPolarHBondContact O-CA 3.25Å; N206-L215 HydrophobicContact CB-CB 4.1Å; N206-L215 WeakPolarHBondContact CB-O 3.35Å; N206-L215 PolarHBondContact O-N 2.91Å; N206-N217 PolarHBondContact ND2-OD1 2.94Å; N206-V220 HydrophobicContact CB-CG2 3.83Å; N206-V233 HydrophobicContact CB-CG1 3.5Å; N206-Q235 PolarHBondContact OD1-NE2 3.05Å
207	W	89.1	Confident	85.7	Confident	27 Å²	27	29 Å²	29	10%	0.102	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	123.8	178.5	178.3	-93.7	0	0	0	110.4	V205 P209 Q212 V214 E234 K236 L238	V205-W207 PolarHBondContact O-N 3.38Å; W207-P209 WeakPolarHBondContact O-CD 3.43Å; W207-Q212 HydrophobicContact CH2-CB 4.19Å; W207-Q212 WeakPolarHBondContact CH2-O 3.28Å; W207-Q212 HydrophobicContact CZ2-CB 3.73Å; W207-Q212 HydrophobicContact CZ2-CG 4.27Å; W207-V214 HydrophobicContact CE3-CG2 4.07Å; W207-V214 HydrophobicContact CZ3-CG2 4.38Å; W207-E234 HydrophobicContact CB-CB 4.3Å; W207-E234 WeakPolarHBondContact CB-O 3.31Å; W207-E234 PolarHBondContact N-O 3.13Å; W207-E234 PolarHBondContact O-N 3.49Å; W207-K236 HydrophobicContact CB-CB 4.46Å; W207-K236 HydrophobicContact CB-CD 3.99Å; W207-K236 HydrophobicContact CB-CG 4.13Å; W207-K236 HydrophobicContact CD2-CD 4.02Å; W207-K236 HydrophobicContact CG-CD 3.69Å; W207-K236 HydrophobicContact CG-CG 4.37Å; W207-L238 HydrophobicContact CE3-CD1 4.07Å; W207-L238 HydrophobicContact CZ3-CD1 4.19Å
208	D	86.7	Confident	84.5	Confident	0 Å²	0	30 Å²	30	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	113.6	169.1	-170	-39.8	0	0	0	109.5	V210 D211 Q212 T213 L215 S226 S229	D208-V210 VanDerWaalsContact C-N 3.27Å; D208-V210 PolarHBondContact O-N 2.96Å; D208-V210 WeakPolarHBondContact OD1-CA 3.33Å; D208-V210 WeakPolarHBondContact OD1-CB 3.37Å; D208-V210 PolarHBondContact OD1-N 2.99Å; D208-D211 HydrophobicContact CB-CB 4.07Å; D208-D211 PolarHBondContact OD1-N 3.43Å; D208-Q212 WeakPolarHBondContact O-CA 3.38Å; D208-Q212 PolarHBondContact O-N 2.97Å; D208-T213 PolarHBondContact N-O 3.24Å; D208-L215 HydrophobicContact CB-CD1 3.94Å; D208-L215 HydrophobicContact CB-CD2 4.47Å; D208-L215 HydrophobicContact CB-CG 4.1Å; D208-S226 WeakPolarHBondContact OD2-CB 3.28Å; D208-S226 PolarHBondContact OD2-OG 3.35Å; D208-S229 VanDerWaalsContact CG-OG 3.28Å; D208-S229 PolarHBondContact OD1-OG 2.83Å; D208-S229 WeakPolarHBondContact OD2-CB 3.46Å; D208-S229 PolarHBondContact OD2-OG 3.1Å
209	P	87.1	Confident	83.3	Confident	40 Å²	40	30 Å²	30	26%	0.26	16%	0.155	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.8	-20.1	-179	30.1	-35	0	0	0	113.6	W207 A231 K232 E234	W207-P209 WeakPolarHBondContact O-CD 3.43Å; P209-A231 HydrophobicContact CG-CB 4.14Å; P209-K232 WeakPolarHBondContact CD-O 3.28Å; P209-E234 HydrophobicContact CG-CG 4.49Å
210	V	82.2	Confident	82.6	Confident	93 Å²	93	29.1 Å²	29.1	56%	0.564	15%	0.154	S	C	*	.	T	Hydrogen-bonded Turn	trans	-85.5	-52.4	178.3	173.7	0	0	0	0	110.3	D208 Q212 A231	D208-V210 VanDerWaalsContact C-N 3.27Å; D208-V210 PolarHBondContact O-N 2.96Å; D208-V210 WeakPolarHBondContact OD1-CA 3.33Å; D208-V210 WeakPolarHBondContact OD1-CB 3.37Å; D208-V210 PolarHBondContact OD1-N 2.99Å; V210-Q212 PolarHBondContact O-N 3.22Å; V210-A231 HydrophobicContact CB-CB 4.24Å; V210-A231 HydrophobicContact CG2-CB 3.61Å
211	D	75.4	Confident	81.7	Confident	13 Å²	13	30.3 Å²	30.3	7%	0.07	16%	0.162	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.1	-8	179.6	-80.7	-23.5	0	0	0	113.1	N137 D208 T213 R453	N137-D211 PolarHBondContact ND2-OD1 3.3Å; D208-D211 HydrophobicContact CB-CB 4.07Å; D208-D211 PolarHBondContact OD1-N 3.43Å; D211-T213 VanDerWaalsContact C-N 3.31Å; D211-T213 HydrophobicContact CB-CG2 3.96Å; D211-T213 PolarHBondContact O-N 3.45Å; D211-R453 PolarHBondContact O-NH1 3.43Å
212	Q	83	Confident	81	Confident	57 Å²	57	35.6 Å²	35.6	27%	0.266	19%	0.188	S	C	.	.	T	Hydrogen-bonded Turn	trans	46.3	50	-178.8	-62.9	-151.1	-15.7	0	0	113.6	W207 D208 V210	W207-Q212 HydrophobicContact CH2-CB 4.19Å; W207-Q212 WeakPolarHBondContact CH2-O 3.28Å; W207-Q212 HydrophobicContact CZ2-CB 3.73Å; W207-Q212 HydrophobicContact CZ2-CG 4.27Å; D208-Q212 WeakPolarHBondContact O-CA 3.38Å; D208-Q212 PolarHBondContact O-N 2.97Å; V210-Q212 PolarHBondContact O-N 3.22Å
213	T	80.1	Confident	80.4	Confident	0 Å²	0	40.4 Å²	40.4	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.3	156.7	179.8	-173.3	0	0	0	0	111.1	L133 D208 D211 L215	L133-T213 HydrophobicContact CD1-CG2 4.26Å; L133-T213 HydrophobicContact CD2-CG2 4.2Å; D208-T213 PolarHBondContact N-O 3.24Å; D211-T213 VanDerWaalsContact C-N 3.31Å; D211-T213 HydrophobicContact CB-CG2 3.96Å; D211-T213 PolarHBondContact O-N 3.45Å; T213-L215 HydrophobicContact CG2-CD2 4.3Å
214	V	84.6	Confident	80.4	Confident	0 Å²	0	40.8 Å²	40.8	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.3	140.8	164.9	177	0	0	0	0	110.7	V205 N206 W207 L238 L448 R451 Q452	V205-V214 HydrophobicContact CB-CG1 3.83Å; V205-V214 HydrophobicContact CB-CG2 4.22Å; V205-V214 HydrophobicContact CG1-CG1 4.41Å; V205-V214 HydrophobicContact CG2-CB 4.45Å; V205-V214 HydrophobicContact CG2-CG1 4.07Å; V205-V214 HydrophobicContact CG2-CG2 3.52Å; N206-V214 CarbonylContact O-C 3.53Å; N206-V214 VanDerWaalsContact O-CA 3.27Å; N206-V214 WeakPolarHBondContact O-CA 3.25Å; W207-V214 HydrophobicContact CE3-CG2 4.07Å; W207-V214 HydrophobicContact CZ3-CG2 4.38Å; V214-L238 HydrophobicContact CG2-CD1 3.67Å; V214-L448 HydrophobicContact CB-CD2 4.47Å; V214-L448 HydrophobicContact CG1-CD1 3.64Å; V214-L448 HydrophobicContact CG1-CD2 3.56Å; V214-L448 HydrophobicContact CG1-CG 4.3Å; V214-R451 WeakPolarHBondContact O-CD 3.21Å; V214-Q452 VanDerWaalsContact CG2-OE1 3.29Å; V214-Q452 VanDerWaalsContact N-OE1 3.14Å
215	L	78.9	Confident	80.2	Confident	1 Å²	1	38.5 Å²	38.5	1%	0.005	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	143.1	170.7	-61.4	-179	0	0	0	109.6	N206 D208 T213 Q219 V220 V233	N206-L215 HydrophobicContact CB-CB 4.1Å; N206-L215 WeakPolarHBondContact CB-O 3.35Å; N206-L215 PolarHBondContact O-N 2.91Å; D208-L215 HydrophobicContact CB-CD1 3.94Å; D208-L215 HydrophobicContact CB-CD2 4.47Å; D208-L215 HydrophobicContact CB-CG 4.1Å; T213-L215 HydrophobicContact CG2-CD2 4.3Å; L215-Q219 HydrophobicContact CB-CB 3.99Å; L215-Q219 HydrophobicContact CD2-CB 4.27Å; L215-V220 HydrophobicContact CB-CG2 4.35Å; L215-V220 HydrophobicContact CD1-CG2 4.41Å; L215-V233 HydrophobicContact CD1-CG2 4.12Å
216	A	74.9	Confident	79.8	Confident	5 Å²	5	38.4 Å²	38.4	4%	0.041	20%	0.204	C	C	.	.			trans	-70.1	163.6	164.9	0	0	0	0	0	110.4	E218 Q219	A216-E218 WeakPolarHBondContact CB-OE2 3.17Å; A216-E218 PolarHBondContact O-N 3.05Å; A216-Q219 WeakPolarHBondContact O-CB 3.28Å; A216-Q219 PolarHBondContact O-N 2.72Å
217	N	73.9	Confident	79	Confident	62 Å²	62	44.1 Å²	44.1	33%	0.332	23%	0.225	S	C	.	.	G	3₁₀ helix	trans	-61.4	-32.2	-179.5	-62.2	-59.2	0	0	0	111.6	N206 Q219 V220 K445	N206-N217 PolarHBondContact ND2-OD1 2.94Å; N217-Q219 PolarHBondContact O-N 3.34Å; N217-V220 PolarHBondContact O-N 3.1Å; N217-V220 VanDerWaalsContact O-N 3.16Å; N217-K445 VanDerWaalsContact ND2-CD 3.28Å; N217-K445 WeakPolarHBondContact ND2-CD 3.23Å
218	E	72	Confident	78.1	Confident	37 Å²	37	46.4 Å²	46.4	17%	0.173	23%	0.233	C	C	.	.	G	3₁₀ helix	trans	-71	-10.8	179.5	-49.6	71.1	-141.8	0	0	112.7	A216 W272 M566 Y570	A216-E218 WeakPolarHBondContact CB-OE2 3.17Å; A216-E218 PolarHBondContact O-N 3.05Å; E218-W272 HydrophobicContact CG-CH2 3.81Å; E218-W272 HydrophobicContact CG-CZ2 3.56Å; E218-W272 WeakPolarHBondContact OE1-CZ2 3.19Å; E218-M566 HydrophobicContact CB-CE 3.68Å; E218-M566 HydrophobicContact CB-CG 3.63Å; E218-M566 HydrophobicContact CB-SD 4.03Å; E218-M566 HydrophobicContact CG-CG 4.04Å; E218-Y570 PolarHBondContact OE2-OH 2.87Å; E218-Y570 VanDerWaalsContact OE2-OH 3.12Å
219	Q	73.7	Confident	77.4	Confident	5 Å²	5	48.4 Å²	48.4	2%	0.023	25%	0.247	C	C	.	.	G	3₁₀ helix	trans	-99.9	5.9	177.9	-69.8	172.3	-31.1	0	0	112	L215 A216 N217 W227 D521 M566	L215-Q219 HydrophobicContact CB-CB 3.99Å; L215-Q219 HydrophobicContact CD2-CB 4.27Å; A216-Q219 WeakPolarHBondContact O-CB 3.28Å; A216-Q219 PolarHBondContact O-N 2.72Å; N217-Q219 PolarHBondContact O-N 3.34Å; Q219-W227 HydrophobicContact CB-CG 4.4Å; Q219-W227 WeakPolarHBondContact O-CB 3.43Å; Q219-W227 PolarHBondContact O-N 3.11Å; Q219-D521 PolarHBondContact NE2-OD2 2.98Å; Q219-M566 HydrophobicContact CG-CE 4.12Å
220	V	78.6	Confident	77	Confident	32 Å²	32	48.9 Å²	48.9	19%	0.194	26%	0.259	C	S	.	.	B	Isolated β-bridge	trans	-111.3	127.8	173.4	-173.7	0	0	0	0	108.4	N206 L215 N217 C225 V233	N206-V220 HydrophobicContact CB-CG2 3.83Å; L215-V220 HydrophobicContact CB-CG2 4.35Å; L215-V220 HydrophobicContact CD1-CG2 4.41Å; N217-V220 PolarHBondContact O-N 3.1Å; N217-V220 VanDerWaalsContact O-N 3.16Å; V220-C225 WeakPolarHBondContact CA-O 3.38Å; V220-V233 HydrophobicContact CG1-CB 4.45Å; V220-V233 HydrophobicContact CG1-CG2 3.97Å; V220-V233 HydrophobicContact CG2-CG1 4.38Å; V220-V233 HydrophobicContact CG2-CG2 3.97Å
221	D	75.9	Confident	77.1	Confident	63 Å²	63	45.2 Å²	45.2	34%	0.337	24%	0.239	S	C	.	.			trans	-76.4	176.1	179.6	70.4	22.2	0	0	0	112.6	H223 G224 C225	D221-H223 PolarHBondContact O-N 3.15Å; D221-H223 VanDerWaalsContact O-N 3.15Å; D221-H223 WeakPolarHBondContact OD1-CA 3.48Å; D221-H223 WeakPolarHBondContact OD1-CB 3.45Å; D221-H223 PolarHBondContact OD1-N 3.12Å; D221-G224 PolarHBondContact O-N 3.43Å; D221-G224 PolarHBondContact OD1-N 3.33Å; D221-G224 VanDerWaalsContact OD1-N 3.1Å; D221-C225 PolarHBondContact N-O 3.18Å; D221-C225 PolarHBondContact OD1-N 3.2Å; D221-C225 WeakPolarHBondContact OD2-CB 3.49Å
222	E	73.8	Confident	77.8	Confident	181 Å²	181	51.1 Å²	51.1	85%	0.846	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.9	-17.6	179.7	63.2	-173.2	174.4	0	0	114.2
223	H	76.1	Confident	78.1	Confident	125 Å²	125	49.3 Å²	49.3	58%	0.579	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.4	2	175.4	-57.5	-45.9	0	0	0	112.4	D221 C225 K232	D221-H223 PolarHBondContact O-N 3.15Å; D221-H223 VanDerWaalsContact O-N 3.15Å; D221-H223 WeakPolarHBondContact OD1-CA 3.48Å; D221-H223 WeakPolarHBondContact OD1-CB 3.45Å; D221-H223 PolarHBondContact OD1-N 3.12Å; H223-C225 VanDerWaalsContact C-N 3.31Å; H223-K232 PolarHBondContact O-NZ 3.15Å
224	G	82.8	Confident	78.7	Confident	23 Å²	23	53.4 Å²	53.4	24%	0.237	28%	0.276	C	S	.	.	S	Bend	trans	73.1	25.7	-176.9	0	0	0	0	0	112.8	D221 V233	D221-G224 PolarHBondContact O-N 3.43Å; D221-G224 PolarHBondContact OD1-N 3.33Å; D221-G224 VanDerWaalsContact OD1-N 3.1Å; G224-V233 WeakPolarHBondContact O-CB 3.45Å; G224-V233 PolarHBondContact O-N 2.98Å
225	C	82.1	Confident	78.7	Confident	24 Å²	24	58.2 Å²	58.2	16%	0.162	30%	0.298	C	S	.	.	B	Isolated β-bridge	trans	-106.1	154	177.1	-67.6	0	0	0	0	110.7	V220 D221 H223 W227 A231	V220-C225 WeakPolarHBondContact CA-O 3.38Å; D221-C225 PolarHBondContact N-O 3.18Å; D221-C225 PolarHBondContact OD1-N 3.2Å; D221-C225 WeakPolarHBondContact OD2-CB 3.49Å; H223-C225 VanDerWaalsContact C-N 3.31Å; C225-W227 PolarHBondContact O-N 2.92Å; C225-A231 CarbonylContact C-O 3.33Å; C225-A231 VanDerWaalsContact CA-O 3.25Å; C225-A231 WeakPolarHBondContact CA-O 3.43Å
226	S	78.2	Confident	79.1	Confident	1 Å²	1	61.7 Å²	61.7	1%	0.007	31%	0.313	C	S	.	.	B	Isolated β-bridge	trans	-60.1	128.7	172.9	171.1	0	0	0	0	109.7	D208 R228 S229 G230 A231	D208-S226 WeakPolarHBondContact OD2-CB 3.28Å; D208-S226 PolarHBondContact OD2-OG 3.35Å; S226-R228 PolarHBondContact O-N 2.78Å; S226-R228 PolarHBondContact OG-N 3.33Å; S226-S229 WeakPolarHBondContact CB-OG 3.17Å; S226-S229 PolarHBondContact OG-N 3.47Å; S226-S229 PolarHBondContact OG-OG 3.38Å; S226-G230 WeakPolarHBondContact O-CA 3.35Å; S226-G230 PolarHBondContact O-N 2.96Å; S226-G230 VanDerWaalsContact O-N 3.09Å; S226-A231 PolarHBondContact N-O 3.39Å
227	W	69.1	Low	79.6	Confident	138 Å²	138	64.2 Å²	64.2	52%	0.523	32%	0.322	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.8	-16.7	178.7	75.5	-74.2	0	0	0	114.1	Q219 C225	Q219-W227 HydrophobicContact CB-CG 4.4Å; Q219-W227 WeakPolarHBondContact O-CB 3.43Å; Q219-W227 PolarHBondContact O-N 3.11Å; C225-W227 PolarHBondContact O-N 2.92Å
228	R	70.9	Confident	80.3	Confident	75 Å²	75	63.7 Å²	63.7	28%	0.283	32%	0.319	S	S	.	.	T	Hydrogen-bonded Turn	trans	-121.1	-58.3	-170.3	-171.4	-147.5	158.9	140.4	16.3	113	L133 N137 S226 G230	L133-R228 VanDerWaalsContact CB-NH1 3.34Å; L133-R228 PolarHBondContact O-NH1 3.25Å; N137-R228 VanDerWaalsContact CB-CZ 3.47Å; N137-R228 VanDerWaalsContact CG-CZ 3.5Å; N137-R228 VanDerWaalsContact CG-NH1 3.34Å; N137-R228 PolarHBondContact ND2-NE 2.84Å; N137-R228 PolarHBondContact ND2-NH1 3.27Å; N137-R228 PolarHBondContact ND2-NH2 3.31Å; N137-R228 VanDerWaalsContact ND2-NH2 3.15Å; S226-R228 PolarHBondContact O-N 2.78Å; S226-R228 PolarHBondContact OG-N 3.33Å; R228-G230 PolarHBondContact O-N 3.14Å
229	S	73	Confident	81.1	Confident	41 Å²	41	68.9 Å²	68.9	29%	0.287	34%	0.337	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.9	-19.4	-178.5	72.4	0	0	0	0	111.9	D208 S226 A231	D208-S229 VanDerWaalsContact CG-OG 3.28Å; D208-S229 PolarHBondContact OD1-OG 2.83Å; D208-S229 WeakPolarHBondContact OD2-CB 3.46Å; D208-S229 PolarHBondContact OD2-OG 3.1Å; S226-S229 WeakPolarHBondContact CB-OG 3.17Å; S226-S229 PolarHBondContact OG-N 3.47Å; S226-S229 PolarHBondContact OG-OG 3.38Å; S229-A231 PolarHBondContact O-N 3.37Å; S229-A231 VanDerWaalsContact OG-CB 3.29Å; S229-A231 WeakPolarHBondContact OG-CB 3.34Å; S229-A231 PolarHBondContact OG-N 3.24Å; S229-A231 VanDerWaalsContact OG-N 3.15Å
230	G	77.1	Confident	82.1	Confident	50 Å²	50	68.9 Å²	68.9	52%	0.515	34%	0.337	S	S	.	.			trans	70.1	0.9	-171.7	0	0	0	0	0	113.5	S226 R228	S226-G230 WeakPolarHBondContact O-CA 3.35Å; S226-G230 PolarHBondContact O-N 2.96Å; S226-G230 VanDerWaalsContact O-N 3.09Å; R228-G230 PolarHBondContact O-N 3.14Å
231	A	84.9	Confident	82.9	Confident	16 Å²	16	67.5 Å²	67.5	13%	0.132	33%	0.328	C	S	.	.	P	Polyproline II helix	trans	-70.9	146.2	179.9	0	0	0	0	0	111.2	P209 V210 C225 S226 S229 V233	P209-A231 HydrophobicContact CG-CB 4.14Å; V210-A231 HydrophobicContact CB-CB 4.24Å; V210-A231 HydrophobicContact CG2-CB 3.61Å; C225-A231 CarbonylContact C-O 3.33Å; C225-A231 VanDerWaalsContact CA-O 3.25Å; C225-A231 WeakPolarHBondContact CA-O 3.43Å; S226-A231 PolarHBondContact N-O 3.39Å; S229-A231 PolarHBondContact O-N 3.37Å; S229-A231 VanDerWaalsContact OG-CB 3.29Å; S229-A231 WeakPolarHBondContact OG-CB 3.34Å; S229-A231 PolarHBondContact OG-N 3.24Å; S229-A231 VanDerWaalsContact OG-N 3.15Å; A231-V233 PolarHBondContact O-N 2.75Å
232	K	89.4	Confident	83.8	Confident	137 Å²	137	65.2 Å²	65.2	60%	0.596	32%	0.316	S	S	*	.	B	Isolated β-bridge	trans	-63.5	125.6	171.6	-167.1	72.1	179.6	-176.6	0	109	P209 H223	P209-K232 WeakPolarHBondContact CD-O 3.28Å; H223-K232 PolarHBondContact O-NZ 3.15Å
233	V	90.6	Very high	85	Confident	19 Å²	19	56.6 Å²	56.6	12%	0.115	28%	0.275	C	S	.	.	P	Polyproline II helix	trans	-72.2	132.7	-179.1	172.1	0	0	0	0	109.9	N206 L215 V220 G224 A231	N206-V233 HydrophobicContact CB-CG1 3.5Å; L215-V233 HydrophobicContact CD1-CG2 4.12Å; V220-V233 HydrophobicContact CG1-CB 4.45Å; V220-V233 HydrophobicContact CG1-CG2 3.97Å; V220-V233 HydrophobicContact CG2-CG1 4.38Å; V220-V233 HydrophobicContact CG2-CG2 3.97Å; G224-V233 WeakPolarHBondContact O-CB 3.45Å; G224-V233 PolarHBondContact O-N 2.98Å; A231-V233 PolarHBondContact O-N 2.75Å
234	E	91.8	Very high	85.9	Confident	86 Å²	86	53.4 Å²	53.4	40%	0.402	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	154.3	171.1	-64.1	176.1	177.5	0	0	110.1	W207 P209 K236	W207-E234 HydrophobicContact CB-CB 4.3Å; W207-E234 WeakPolarHBondContact CB-O 3.31Å; W207-E234 PolarHBondContact N-O 3.13Å; W207-E234 PolarHBondContact O-N 3.49Å; P209-E234 HydrophobicContact CG-CG 4.49Å; E234-K236 WeakPolarHBondContact OE2-CE 3.44Å; E234-K236 IonicContact OE2-NZ 2.81Å; E234-K236 PolarHBondContact OE2-NZ 3.23Å
235	Q	85.7	Confident	86.5	Confident	101 Å²	101	52.3 Å²	52.3	47%	0.472	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	127.2	172.3	-64.8	-62.3	-42.4	0	0	109.8	L204 V205 N206	L204-Q235 HydrophobicContact CD1-CB 3.72Å; L204-Q235 HydrophobicContact CD2-CB 4.24Å; L204-Q235 HydrophobicContact CD2-CG 4.48Å; L204-Q235 HydrophobicContact CG-CB 4Å; V205-Q235 WeakPolarHBondContact O-CA 3.41Å; N206-Q235 PolarHBondContact OD1-NE2 3.05Å
236	K	86.6	Confident	87.1	Confident	75 Å²	75	51.7 Å²	51.7	33%	0.326	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	144.4	177.8	-68.8	-175.1	-179.5	160	0	111.1	L204 V205 W207 E234 L238	L204-K236 WeakPolarHBondContact CA-O 3.22Å; V205-K236 VanDerWaalsContact CG2-O 3.31Å; V205-K236 WeakPolarHBondContact CG2-O 3.5Å; V205-K236 PolarHBondContact N-O 3.46Å; V205-K236 PolarHBondContact O-N 3.13Å; W207-K236 HydrophobicContact CB-CB 4.46Å; W207-K236 HydrophobicContact CB-CD 3.99Å; W207-K236 HydrophobicContact CB-CG 4.13Å; W207-K236 HydrophobicContact CD2-CD 4.02Å; W207-K236 HydrophobicContact CG-CD 3.69Å; W207-K236 HydrophobicContact CG-CG 4.37Å; E234-K236 WeakPolarHBondContact OE2-CE 3.44Å; E234-K236 IonicContact OE2-NZ 2.81Å; E234-K236 PolarHBondContact OE2-NZ 3.23Å; K236-L238 HydrophobicContact CB-CG 4.32Å; K236-L238 PolarHBondContact O-N 3.3Å
237	Y	86.4	Confident	88	Confident	57 Å²	57	52.6 Å²	52.6	22%	0.224	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84	114.9	169.4	-69.3	-80.9	0	0	0	109	A203 L204 S317 R319 H322	A203-Y237 WeakPolarHBondContact O-CA 3.16Å; L204-Y237 HydrophobicContact CB-CD1 4.15Å; L204-Y237 HydrophobicContact CB-CE1 3.74Å; L204-Y237 HydrophobicContact CD1-CD1 4.14Å; L204-Y237 HydrophobicContact CD1-CD2 3.95Å; L204-Y237 HydrophobicContact CD1-CE1 3.88Å; L204-Y237 HydrophobicContact CD1-CE2 3.68Å; L204-Y237 HydrophobicContact CD1-CG 4.16Å; L204-Y237 HydrophobicContact CG-CE1 4.3Å; Y237-S317 PolarHBondContact OH-O 2.94Å; Y237-R319 HydrophobicContact CD1-CB 4.48Å; Y237-R319 HydrophobicContact CE1-CB 4.39Å; Y237-H322 HydrophobicContact CD1-CB 4.23Å; Y237-H322 HydrophobicContact CD2-CB 3.81Å; Y237-H322 HydrophobicContact CE1-CB 3.87Å; Y237-H322 HydrophobicContact CE2-CB 3.4Å; Y237-H322 AromaticContact CE2-CG 3.54Å; Y237-H322 HydrophobicContact CG-CB 4.21Å; Y237-H322 VanDerWaalsContact CZ-CB 3.44Å; Y237-H322 AromaticContact CZ-CD2 3.53Å; Y237-H322 AromaticContact CZ-CG 3.48Å; Y237-H322 VanDerWaalsContact CZ-CG 3.48Å; Y237-H322 PolarHBondContact OH-CD2 3.37Å
238	L	87.7	Confident	89.3	Confident	52 Å²	52	47.1 Å²	47.1	27%	0.272	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	145.1	178.2	-67.3	176.3	0	0	0	110.2	E202 A203 V205 W207 V214 K236 Q240	E202-L238 WeakPolarHBondContact CA-O 3.44Å; A203-L238 PolarHBondContact N-O 2.77Å; A203-L238 PolarHBondContact O-N 3.08Å; V205-L238 HydrophobicContact CG2-CB 3.94Å; V205-L238 HydrophobicContact CG2-CD1 3.85Å; V205-L238 HydrophobicContact CG2-CG 4.09Å; W207-L238 HydrophobicContact CE3-CD1 4.07Å; W207-L238 HydrophobicContact CZ3-CD1 4.19Å; V214-L238 HydrophobicContact CG2-CD1 3.67Å; K236-L238 HydrophobicContact CB-CG 4.32Å; K236-L238 PolarHBondContact O-N 3.3Å; L238-Q240 HydrophobicContact CB-CG 3.98Å
239	R	89.9	Confident	90.6	Very high	145 Å²	145	43.6 Å²	43.6	55%	0.547	22%	0.218	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	115.7	171.1	-173.3	171.5	176.8	160.7	0.7	109	Q200 K201	Q200-R239 HydrophobicContact CG-CG 3.86Å; K201-R239 WeakPolarHBondContact O-CA 3.32Å
240	Q	93.1	Very high	91.7	Very high	6 Å²	6	45.1 Å²	45.1	3%	0.028	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	159.4	-169.5	-62.3	-67.9	-78.8	0	0	111.3	Q200 K201 V205 L238 F242 L448 Q452 D518	Q200-Q240 VanDerWaalsContact CA-O 3.32Å; Q200-Q240 WeakPolarHBondContact CA-O 3.43Å; Q200-Q240 VanDerWaalsContact CG-O 3.23Å; Q200-Q240 WeakPolarHBondContact CG-O 3.33Å; K201-Q240 PolarHBondContact N-O 3.4Å; K201-Q240 VanDerWaalsContact N-O 3.08Å; K201-Q240 PolarHBondContact O-N 3.23Å; V205-Q240 HydrophobicContact CG1-CG 4.14Å; L238-Q240 HydrophobicContact CB-CG 3.98Å; Q240-F242 HydrophobicContact CB-CE2 3.89Å; Q240-F242 HydrophobicContact CB-CZ 4.4Å; Q240-F242 WeakPolarHBondContact O-CD2 3.46Å; Q240-L448 HydrophobicContact CB-CD2 4.34Å; Q240-L448 HydrophobicContact CB-CG 4.29Å; Q240-Q452 VanDerWaalsContact NE2-NE2 3.13Å; Q240-D518 PolarHBondContact NE2-OD2 3.3Å
241	W	96.3	Very high	92.6	Very high	2 Å²	2	44.5 Å²	44.5	1%	0.008	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	136.7	174.1	-72.4	94.4	0	0	0	112	F189 Y193 Y199 Q200 I449 S450 I459 I461 P469 E516	F189-W241 HydrophobicContact CE2-CE3 4.39Å; F189-W241 HydrophobicContact CZ-CD2 4.09Å; F189-W241 AromaticContact CZ-CE3 3.68Å; F189-W241 HydrophobicContact CZ-CE3 3.68Å; F189-W241 HydrophobicContact CZ-CZ3 4.01Å; Y193-W241 HydrophobicContact CD2-CH2 4.2Å; Y193-W241 AromaticContact CD2-CZ3 3.86Å; Y193-W241 HydrophobicContact CD2-CZ3 3.86Å; Y193-W241 AromaticContact CE2-CH2 3.93Å; Y193-W241 HydrophobicContact CE2-CH2 3.93Å; Y193-W241 AromaticContact CE2-CZ3 3.95Å; Y193-W241 HydrophobicContact CE2-CZ3 3.95Å; Y199-W241 WeakPolarHBondContact O-CA 3.47Å; Q200-W241 HydrophobicContact CB-CD2 3.96Å; Q200-W241 HydrophobicContact CB-CE3 4Å; Q200-W241 HydrophobicContact CB-CH2 4.14Å; Q200-W241 HydrophobicContact CB-CZ2 4.06Å; Q200-W241 HydrophobicContact CB-CZ3 4.11Å; Q200-W241 HydrophobicContact CG-CD2 4.08Å; Q200-W241 HydrophobicContact CG-CG 4.28Å; Q200-W241 HydrophobicContact CG-CZ2 4.34Å; W241-I449 HydrophobicContact CB-CD1 4.26Å; W241-I449 HydrophobicContact CB-CG1 3.86Å; W241-I449 WeakPolarHBondContact O-CG1 3.47Å; W241-I449 PolarHBondContact O-N 2.83Å; W241-S450 PolarHBondContact N-OG 2.95Å; W241-I459 HydrophobicContact CB-CD1 4.17Å; W241-I459 HydrophobicContact CG-CD1 4Å; W241-I461 HydrophobicContact CH2-CB 4.45Å; W241-I461 HydrophobicContact CH2-CD1 4.02Å; W241-I461 HydrophobicContact CH2-CG1 3.71Å; W241-I461 HydrophobicContact CH2-CG2 4.17Å; W241-I461 HydrophobicContact CZ2-CB 4Å; W241-I461 HydrophobicContact CZ2-CD1 4.43Å; W241-I461 HydrophobicContact CZ2-CG1 3.65Å; W241-I461 HydrophobicContact CZ2-CG2 3.76Å; W241-I461 HydrophobicContact CZ3-CG1 4.46Å; W241-P469 HydrophobicContact CH2-CB 4.26Å; W241-P469 HydrophobicContact CZ2-CB 4.43Å; W241-E516 PolarHBondContact NE1-OE2 3.19Å
242	F	95.5	Very high	93.2	Very high	15 Å²	15	43.7 Å²	43.7	7%	0.066	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	145.5	179	-66.3	-97.3	0	0	0	110.4	A198 Y199 K201 A203 Q240 D446 W447 L448	A198-F242 WeakPolarHBondContact CA-O 3.43Å; Y199-F242 HydrophobicContact CD1-CB 4.26Å; Y199-F242 HydrophobicContact CE1-CB 3.78Å; Y199-F242 HydrophobicContact CE2-CB 4.24Å; Y199-F242 PolarHBondContact N-O 3.13Å; Y199-F242 PolarHBondContact O-N 3.1Å; K201-F242 HydrophobicContact CD-CE2 4.48Å; K201-F242 HydrophobicContact CG-CD2 3.75Å; K201-F242 HydrophobicContact CG-CE2 3.64Å; K201-F242 HydrophobicContact CG-CZ 4.48Å; A203-F242 HydrophobicContact CB-CE2 4.13Å; A203-F242 HydrophobicContact CB-CZ 3.7Å; Q240-F242 HydrophobicContact CB-CE2 3.89Å; Q240-F242 HydrophobicContact CB-CZ 4.4Å; Q240-F242 WeakPolarHBondContact O-CD2 3.46Å; F242-D446 HydrophobicContact CB-CB 4.37Å; F242-D446 HydrophobicContact CD1-CB 4.28Å; F242-W447 CarbonylContact C-O 3.34Å; F242-W447 WeakPolarHBondContact CA-O 3.32Å; F242-L448 HydrophobicContact CD1-CB 3.91Å; F242-L448 HydrophobicContact CD1-CG 4.29Å; F242-L448 HydrophobicContact CE1-CB 3.56Å; F242-L448 HydrophobicContact CE1-CD1 3.88Å; F242-L448 HydrophobicContact CE1-CG 3.7Å; F242-L448 HydrophobicContact CE2-CG 4.46Å; F242-L448 HydrophobicContact CZ-CB 4.2Å; F242-L448 HydrophobicContact CZ-CD1 3.75Å; F242-L448 HydrophobicContact CZ-CG 3.79Å
243	I	97.5	Very high	93.6	Very high	0 Å²	0	39 Å²	39	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	127.2	163.9	-62.8	176.5	0	0	0	107.7	L192 L197 T245 D446 W447 I449 F573 F574	L192-I243 HydrophobicContact CD1-CD1 3.97Å; L192-I243 HydrophobicContact CD1-CG1 4.4Å; L192-I243 HydrophobicContact CD1-CG2 4.38Å; L197-I243 CarbonylContact O-C 3.54Å; L197-I243 WeakPolarHBondContact O-CA 3.42Å; I243-T245 HydrophobicContact CG2-CG2 4.25Å; I243-T245 PolarHBondContact O-N 2.83Å; I243-D446 WeakPolarHBondContact O-CB 3.41Å; I243-W447 HydrophobicContact CB-CB 4.36Å; I243-W447 HydrophobicContact CB-CE3 4.29Å; I243-W447 HydrophobicContact CD1-CD2 4.48Å; I243-W447 HydrophobicContact CD1-CE3 3.87Å; I243-W447 HydrophobicContact CD1-CZ3 4.06Å; I243-W447 PolarHBondContact N-O 3.22Å; I243-W447 PolarHBondContact O-N 3.31Å; I243-I449 HydrophobicContact CD1-CD1 4.26Å; I243-I449 HydrophobicContact CD1-CG2 3.71Å; I243-I449 HydrophobicContact CG1-CD1 4.17Å; I243-I449 HydrophobicContact CG1-CG2 3.89Å; I243-F573 HydrophobicContact CG2-CD1 4.38Å; I243-F573 HydrophobicContact CG2-CE1 3.41Å; I243-F573 VanDerWaalsContact CG2-CE1 3.41Å; I243-F573 HydrophobicContact CG2-CE2 4.3Å; I243-F573 HydrophobicContact CG2-CZ 3.36Å; I243-F574 HydrophobicContact CD1-CE2 4.39Å
244	K	95.8	Very high	93.9	Very high	59 Å²	59	42 Å²	42	26%	0.257	20%	0.198	S	C	.	.			trans	-74.8	67.9	-178	-165.1	-175.1	-71.8	171.2	0	111.7	G196 L197 Y199 T246 A247 D446	G196-K244 PolarHBondContact O-NZ 2.63Å; L197-K244 HydrophobicContact CD2-CB 4.08Å; L197-K244 HydrophobicContact CD2-CD 4.38Å; L197-K244 WeakPolarHBondContact O-CB 3.5Å; L197-K244 PolarHBondContact O-N 3.43Å; Y199-K244 HydrophobicContact CD1-CB 4.33Å; Y199-K244 HydrophobicContact CE1-CB 3.99Å; Y199-K244 HydrophobicContact CE1-CG 4.46Å; K244-T246 WeakPolarHBondContact CG-OG1 3.22Å; K244-T246 PolarHBondContact O-N 3.33Å; K244-A247 HydrophobicContact CD-CB 4.03Å; K244-A247 HydrophobicContact CG-CB 4.06Å; K244-A247 WeakPolarHBondContact O-CB 3.23Å; K244-A247 PolarHBondContact O-N 3.44Å; K244-D446 VanDerWaalsContact CA-OD1 3.27Å; K244-D446 WeakPolarHBondContact CA-OD1 3.06Å
245	T	95.7	Very high	94.1	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	18%	0.184	C	C	.	.	G	3₁₀ helix	trans	-64.2	-26.9	177.9	46.9	0	0	0	0	112.1	I243 A247 Y248 A249 K445 D446 W447 F569 F573	I243-T245 HydrophobicContact CG2-CG2 4.25Å; I243-T245 PolarHBondContact O-N 2.83Å; T245-A247 PolarHBondContact O-N 2.7Å; T245-Y248 PolarHBondContact O-N 3.2Å; T245-Y248 VanDerWaalsContact O-N 3.12Å; T245-A249 PolarHBondContact O-N 3.43Å; T245-K445 PolarHBondContact OG1-O 2.98Å; T245-D446 PolarHBondContact N-OD1 2.74Å; T245-W447 HydrophobicContact CG2-CB 3.77Å; T245-W447 HydrophobicContact CG2-CE3 4.27Å; T245-W447 PolarHBondContact OG1-N 2.74Å; T245-F569 HydrophobicContact CG2-CE1 4.23Å; T245-F573 HydrophobicContact CG2-CD1 4.33Å; T245-F573 HydrophobicContact CG2-CD2 3.91Å; T245-F573 HydrophobicContact CG2-CE2 4.15Å; T245-F573 HydrophobicContact CG2-CG 4Å; T245-F573 HydrophobicContact CG2-CZ 4.49Å
246	T	95	Very high	94.6	Very high	11 Å²	11	34.2 Å²	34.2	7%	0.067	16%	0.164	C	C	.	.	G	3₁₀ helix	trans	-57.9	-28.4	173.6	53	0	0	0	0	113	K244 Y248 A249 L444 D446	K244-T246 WeakPolarHBondContact CG-OG1 3.22Å; K244-T246 PolarHBondContact O-N 3.33Å; T246-Y248 PolarHBondContact O-N 3.31Å; T246-Y248 VanDerWaalsContact O-N 3.16Å; T246-A249 VanDerWaalsContact O-CB 3.23Å; T246-A249 WeakPolarHBondContact O-CB 3.38Å; T246-A249 PolarHBondContact O-N 2.75Å; T246-A249 VanDerWaalsContact O-N 3.1Å; T246-L444 HydrophobicContact CG2-CB 4.33Å; T246-L444 HydrophobicContact CG2-CD2 4.16Å; T246-L444 HydrophobicContact CG2-CG 4.06Å; T246-L444 WeakPolarHBondContact CG2-O 3.21Å; T246-D446 WeakPolarHBondContact CB-OD1 3.3Å; T246-D446 VanDerWaalsContact CG2-OD1 3.24Å; T246-D446 WeakPolarHBondContact CG2-OD1 3.33Å; T246-D446 PolarHBondContact N-OD1 3.45Å; T246-D446 PolarHBondContact OG1-OD1 3.24Å
247	A	96	Very high	94.9	Very high	20 Å²	20	34.4 Å²	34.4	17%	0.165	18%	0.18	C	C	.	.	G	3₁₀ helix	trans	-62.9	-24.2	178.1	0	0	0	0	0	113.7	L197 K244 T245 D438	L197-A247 HydrophobicContact CD2-CB 3.63Å; K244-A247 HydrophobicContact CD-CB 4.03Å; K244-A247 HydrophobicContact CG-CB 4.06Å; K244-A247 WeakPolarHBondContact O-CB 3.23Å; K244-A247 PolarHBondContact O-N 3.44Å; T245-A247 PolarHBondContact O-N 2.7Å; A247-D438 HydrophobicContact CB-CB 4.19Å
248	Y	97.3	Very high	95.1	Very high	23 Å²	23	38.1 Å²	38.1	9%	0.09	20%	0.204	C	C	.	.	G	3₁₀ helix	trans	-108.6	7.5	178.7	-75.5	-98.7	0	0	0	112.7	L197 T245 T246 K250 A251 M252 F573 H576 D580	L197-Y248 HydrophobicContact CD1-CE2 3.81Å; L197-Y248 HydrophobicContact CD2-CE2 4.48Å; T245-Y248 PolarHBondContact O-N 3.2Å; T245-Y248 VanDerWaalsContact O-N 3.12Å; T246-Y248 PolarHBondContact O-N 3.31Å; T246-Y248 VanDerWaalsContact O-N 3.16Å; Y248-K250 PolarHBondContact O-N 3.04Å; Y248-A251 PolarHBondContact O-N 2.64Å; Y248-M252 WeakPolarHBondContact O-CB 3.28Å; Y248-M252 WeakPolarHBondContact O-CG 3.42Å; Y248-M252 PolarHBondContact O-N 3.38Å; Y248-F573 HydrophobicContact CD2-CD2 4.11Å; Y248-F573 AromaticContact CD2-CE2 3.62Å; Y248-F573 HydrophobicContact CD2-CE2 3.62Å; Y248-F573 HydrophobicContact CE2-CE2 4.24Å; Y248-F573 HydrophobicContact CG-CD2 4.25Å; Y248-F573 HydrophobicContact CG-CE2 4.23Å; Y248-H576 HydrophobicContact CD1-CB 3.6Å; Y248-H576 HydrophobicContact CE1-CB 3.88Å; Y248-D580 HydrophobicContact CE1-CB 4.49Å; Y248-D580 VanDerWaalsContact CE1-OD2 3.26Å; Y248-D580 WeakPolarHBondContact CE1-OD2 3.5Å; Y248-D580 PolarHBondContact OH-OD2 3.25Å
249	A	97	Very high	95.4	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-54.7	-52.7	-175.1	0	0	0	0	0	112	T245 T246 M252 Q253 I273 T440 L444	T245-A249 PolarHBondContact O-N 3.43Å; T246-A249 VanDerWaalsContact O-CB 3.23Å; T246-A249 WeakPolarHBondContact O-CB 3.38Å; T246-A249 PolarHBondContact O-N 2.75Å; T246-A249 VanDerWaalsContact O-N 3.1Å; A249-M252 PolarHBondContact O-N 3.42Å; A249-Q253 WeakPolarHBondContact O-CB 3.45Å; A249-Q253 PolarHBondContact O-N 2.56Å; A249-I273 HydrophobicContact CB-CG2 4.17Å; A249-T440 WeakPolarHBondContact CB-OG1 2.95Å; A249-L444 HydrophobicContact CB-CD2 3.63Å
250	K	97.1	Very high	95.4	Very high	74 Å²	74	31 Å²	31	32%	0.322	18%	0.179	S	C	.	.	H	α-helix	trans	-62.2	-46.7	178.9	-177.7	55.8	173.9	161.7	0	112.7	Y248 M252 Q253 D254 C276 V439	Y248-K250 PolarHBondContact O-N 3.04Å; K250-M252 VanDerWaalsContact C-N 3.32Å; K250-M252 PolarHBondContact O-N 2.68Å; K250-Q253 PolarHBondContact O-N 2.96Å; K250-Q253 VanDerWaalsContact O-N 3.15Å; K250-D254 WeakPolarHBondContact CD-OD2 3.35Å; K250-D254 VanDerWaalsContact CE-OD1 3.29Å; K250-D254 WeakPolarHBondContact CE-OD1 3.43Å; K250-D254 WeakPolarHBondContact CE-OD2 3.14Å; K250-D254 IonicContact NZ-OD1 2.97Å; K250-D254 PolarHBondContact NZ-OD1 2.93Å; K250-D254 IonicContact NZ-OD2 3.27Å; K250-D254 PolarHBondContact NZ-OD2 3.27Å; K250-D254 VanDerWaalsContact O-CG 3.32Å; K250-D254 PolarHBondContact O-N 3.46Å; K250-C276 HydrophobicContact CB-CB 4.15Å; K250-C276 HydrophobicContact CD-CB 3.85Å; K250-V439 HydrophobicContact CB-CB 3.97Å; K250-V439 HydrophobicContact CB-CG1 4.11Å; K250-V439 WeakPolarHBondContact CB-O 2.98Å; K250-V439 HydrophobicContact CD-CG1 4.41Å; K250-V439 HydrophobicContact CG-CB 4.26Å; K250-V439 HydrophobicContact CG-CG1 4.16Å; K250-V439 PolarHBondContact N-O 3.01Å
251	A	96.7	Very high	95.1	Very high	36 Å²	36	33.4 Å²	33.4	30%	0.298	19%	0.19	S	C	.	.	H	α-helix	trans	-60.4	-42	179.2	0	0	0	0	0	112.1	Y248 A255	Y248-A251 PolarHBondContact O-N 2.64Å; A251-A255 VanDerWaalsContact O-CB 3.3Å; A251-A255 WeakPolarHBondContact O-CB 3.37Å; A251-A255 PolarHBondContact O-N 3.17Å; A251-A255 VanDerWaalsContact O-N 3.13Å
252	M	97.2	Very high	94.9	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-71.4	-34.7	175.3	-71	-172	-67.5	0	0	112.3	Y248 A249 K250 L256 I273 F569 R572 F573	Y248-M252 WeakPolarHBondContact O-CB 3.28Å; Y248-M252 WeakPolarHBondContact O-CG 3.42Å; Y248-M252 PolarHBondContact O-N 3.38Å; A249-M252 PolarHBondContact O-N 3.42Å; K250-M252 VanDerWaalsContact C-N 3.32Å; K250-M252 PolarHBondContact O-N 2.68Å; M252-L256 WeakPolarHBondContact O-CG 3.49Å; M252-I273 HydrophobicContact CB-CD1 4.15Å; M252-F569 HydrophobicContact CE-CD2 4.42Å; M252-F569 HydrophobicContact CE-CE1 4.38Å; M252-F569 HydrophobicContact CE-CE2 3.48Å; M252-F569 VanDerWaalsContact CE-CE2 3.48Å; M252-F569 HydrophobicContact CE-CZ 3.46Å; M252-F569 VanDerWaalsContact CE-CZ 3.46Å; M252-F569 HydrophobicContact SD-CD2 4.42Å; M252-F569 HydrophobicContact SD-CE2 4.01Å; M252-F569 HydrophobicContact SD-CZ 4.37Å; M252-R572 PolarHBondContact O-NH1 3.42Å; M252-R572 PolarHBondContact O-NH2 3.23Å; M252-R572 HydrophobicContact SD-CB 4.24Å; M252-F573 HydrophobicContact CE-CB 4.34Å; M252-F573 HydrophobicContact CE-CD2 4.46Å; M252-F573 HydrophobicContact SD-CB 3.89Å
253	Q	97.1	Very high	94.4	Very high	38 Å²	38	40.7 Å²	40.7	18%	0.178	22%	0.218	C	C	.	.	H	α-helix	trans	-63.7	-48.8	175.3	-171.6	-175.3	45.5	0	0	110.8	A249 K250 A255 L256 I273 G274	A249-Q253 WeakPolarHBondContact O-CB 3.45Å; A249-Q253 PolarHBondContact O-N 2.56Å; K250-Q253 PolarHBondContact O-N 2.96Å; K250-Q253 VanDerWaalsContact O-N 3.15Å; Q253-A255 PolarHBondContact O-N 3.06Å; Q253-L256 VanDerWaalsContact O-CB 3.32Å; Q253-L256 WeakPolarHBondContact O-CB 3.28Å; Q253-L256 PolarHBondContact O-N 3.42Å; Q253-I273 HydrophobicContact CB-CD1 4.5Å; Q253-I273 HydrophobicContact CB-CG2 4.24Å; Q253-G274 PolarHBondContact NE2-O 2.72Å
254	D	96.4	Very high	93.9	Very high	82 Å²	82	43.1 Å²	43.1	44%	0.439	24%	0.244	S	C	.	.	H	α-helix	trans	-65.1	-42.4	-177.2	-67.7	-20	0	0	0	111.5	K250 L256 A257	K250-D254 WeakPolarHBondContact CD-OD2 3.35Å; K250-D254 VanDerWaalsContact CE-OD1 3.29Å; K250-D254 WeakPolarHBondContact CE-OD1 3.43Å; K250-D254 WeakPolarHBondContact CE-OD2 3.14Å; K250-D254 IonicContact NZ-OD1 2.97Å; K250-D254 PolarHBondContact NZ-OD1 2.93Å; K250-D254 IonicContact NZ-OD2 3.27Å; K250-D254 PolarHBondContact NZ-OD2 3.27Å; K250-D254 VanDerWaalsContact O-CG 3.32Å; K250-D254 PolarHBondContact O-N 3.46Å; D254-L256 PolarHBondContact O-N 3.48Å; D254-L256 VanDerWaalsContact O-N 3.09Å; D254-A257 PolarHBondContact O-N 3.48Å; D254-A257 VanDerWaalsContact O-N 3.16Å
255	A	96.1	Very high	93.8	Very high	12 Å²	12	40.4 Å²	40.4	10%	0.099	23%	0.232	C	C	.	.	H	α-helix	trans	-65.1	-13.8	179.5	0	0	0	0	0	114	A251 Q253 A257 D258 E588	A251-A255 VanDerWaalsContact O-CB 3.3Å; A251-A255 WeakPolarHBondContact O-CB 3.37Å; A251-A255 PolarHBondContact O-N 3.17Å; A251-A255 VanDerWaalsContact O-N 3.13Å; Q253-A255 PolarHBondContact O-N 3.06Å; A255-A257 PolarHBondContact O-N 2.96Å; A255-D258 PolarHBondContact O-N 3.34Å; A255-E588 HydrophobicContact CB-CG 4.38Å; A255-E588 WeakPolarHBondContact CB-OE1 3.49Å
256	L	95.8	Very high	93.7	Very high	11 Å²	11	43.3 Å²	43.3	6%	0.058	24%	0.244	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.8	-29.7	173.3	-69.8	173.9	0	0	0	112	M252 Q253 D254 D258 L259 K266 Q269 A270	M252-L256 WeakPolarHBondContact O-CG 3.49Å; Q253-L256 VanDerWaalsContact O-CB 3.32Å; Q253-L256 WeakPolarHBondContact O-CB 3.28Å; Q253-L256 PolarHBondContact O-N 3.42Å; D254-L256 PolarHBondContact O-N 3.48Å; D254-L256 VanDerWaalsContact O-N 3.09Å; L256-D258 PolarHBondContact O-N 2.67Å; L256-L259 HydrophobicContact CD2-CD1 4.12Å; L256-K266 HydrophobicContact CD2-CG 4.45Å; L256-K266 VanDerWaalsContact O-CD 3.29Å; L256-K266 WeakPolarHBondContact O-CD 3.48Å; L256-K266 WeakPolarHBondContact O-CE 3.33Å; L256-K266 PolarHBondContact O-NZ 3.46Å; L256-Q269 HydrophobicContact CD1-CB 4.31Å; L256-Q269 HydrophobicContact CD2-CB 4.19Å; L256-A270 HydrophobicContact CD1-CB 3.85Å
257	A	93.8	Very high	93.7	Very high	80 Å²	80	45.1 Å²	45.1	66%	0.661	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.3	-37.9	177.7	0	0	0	0	0	111.5	D254 A255 K266	D254-A257 PolarHBondContact O-N 3.48Å; D254-A257 VanDerWaalsContact O-N 3.16Å; A255-A257 PolarHBondContact O-N 2.96Å; A257-K266 PolarHBondContact O-NZ 3.18Å
258	D	90.8	Very high	93.6	Very high	135 Å²	135	48 Å²	48	72%	0.722	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.2	-13.2	-171.2	-59.5	-34.4	0	0	0	114.4	A255 L256 P260	A255-D258 PolarHBondContact O-N 3.34Å; L256-D258 PolarHBondContact O-N 2.67Å; D258-P260 VanDerWaalsContact O-CD 3.23Å; D258-P260 WeakPolarHBondContact O-CD 3.47Å
259	L	93	Very high	93.5	Very high	5 Å²	5	46.9 Å²	46.9	3%	0.026	27%	0.272	C	S	.	.			trans	-78.2	109.7	-176.6	-69.5	174.3	0	0	0	112.3	L256 W262 K266 E588	L256-L259 HydrophobicContact CD2-CD1 4.12Å; L259-W262 HydrophobicContact CB-CD2 4.35Å; L259-W262 HydrophobicContact CB-CG 4.07Å; L259-W262 HydrophobicContact CD1-CD2 3.94Å; L259-W262 HydrophobicContact CD1-CE3 4Å; L259-W262 HydrophobicContact CD1-CG 4.48Å; L259-W262 HydrophobicContact CD1-CH2 4.14Å; L259-W262 HydrophobicContact CD1-CZ2 4.04Å; L259-W262 HydrophobicContact CD1-CZ3 4.13Å; L259-W262 HydrophobicContact CD2-CZ2 4.13Å; L259-K266 WeakPolarHBondContact O-CE 3.33Å; L259-K266 PolarHBondContact O-NZ 3.22Å; L259-E588 HydrophobicContact CD2-CB 3.82Å; L259-E588 HydrophobicContact CD2-CG 3.67Å; L259-E588 HydrophobicContact CG-CG 4.35Å
260	P	90.2	Very high	93.4	Very high	42 Å²	42	48.7 Å²	48.7	27%	0.273	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.7	139.3	-179.3	29.7	-34.9	0	0	0	111.9	D258 W262 H591 K592	D258-P260 VanDerWaalsContact O-CD 3.23Å; D258-P260 WeakPolarHBondContact O-CD 3.47Å; P260-W262 VanDerWaalsContact O-CD1 3.28Å; P260-W262 PolarHBondContact O-N 3.45Å; P260-W262 VanDerWaalsContact O-N 3.13Å; P260-H591 WeakPolarHBondContact CD-O 3.37Å; P260-H591 WeakPolarHBondContact CG-O 3.29Å; P260-K592 HydrophobicContact CG-CG 4.48Å
261	E	86.8	Confident	93.3	Very high	57 Å²	57	51.5 Å²	51.5	27%	0.266	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	63.1	20.9	166.1	-56.5	164.9	178	0	0	115.9	Y263 K592	E261-Y263 HydrophobicContact CB-CD2 4.28Å; E261-Y263 HydrophobicContact CB-CE2 3.65Å; E261-Y263 HydrophobicContact CG-CE2 3.94Å; E261-Y263 WeakPolarHBondContact O-CD2 3.33Å; E261-Y263 PolarHBondContact O-N 3.31Å; E261-K592 IonicContact OE1-NZ 3.3Å; E261-K592 PolarHBondContact OE1-NZ 3.49Å; E261-K592 WeakPolarHBondContact OE2-CD 3.33Å; E261-K592 WeakPolarHBondContact OE2-CE 3.47Å; E261-K592 WeakPolarHBondContact OE2-CG 3.23Å; E261-K592 IonicContact OE2-NZ 3.86Å; E261-K592 PolarHBondContact OE2-NZ 3.28Å
262	W	92	Very high	93.1	Very high	3 Å²	3	53 Å²	53	1%	0.011	30%	0.299	C	S	.	.			trans	-80.9	54	169.5	-77.9	50.3	0	0	0	112.1	L259 P260 G264 I265 K266 R572 F590 H591 L593	L259-W262 HydrophobicContact CB-CD2 4.35Å; L259-W262 HydrophobicContact CB-CG 4.07Å; L259-W262 HydrophobicContact CD1-CD2 3.94Å; L259-W262 HydrophobicContact CD1-CE3 4Å; L259-W262 HydrophobicContact CD1-CG 4.48Å; L259-W262 HydrophobicContact CD1-CH2 4.14Å; L259-W262 HydrophobicContact CD1-CZ2 4.04Å; L259-W262 HydrophobicContact CD1-CZ3 4.13Å; L259-W262 HydrophobicContact CD2-CZ2 4.13Å; P260-W262 VanDerWaalsContact O-CD1 3.28Å; P260-W262 PolarHBondContact O-N 3.45Å; P260-W262 VanDerWaalsContact O-N 3.13Å; W262-G264 PolarHBondContact O-N 3.3Å; W262-I265 HydrophobicContact CE3-CB 4.27Å; W262-I265 HydrophobicContact CE3-CG2 3.69Å; W262-I265 HydrophobicContact CZ3-CG2 4.11Å; W262-I265 PolarHBondContact O-N 2.93Å; W262-K266 HydrophobicContact CB-CG 3.82Å; W262-K266 PolarHBondContact O-N 2.87Å; W262-R572 HydrophobicContact CH2-CG 4.34Å; W262-F590 AromaticContact CH2-CD2 3.84Å; W262-F590 HydrophobicContact CH2-CD2 3.84Å; W262-F590 HydrophobicContact CZ2-CB 3.85Å; W262-F590 AromaticContact CZ2-CD2 3.86Å; W262-F590 HydrophobicContact CZ2-CD2 3.86Å; W262-F590 HydrophobicContact CZ2-CG 4.36Å; W262-F590 WeakPolarHBondContact CZ2-O 3.41Å; W262-H591 PolarHBondContact NE1-O 2.9Å; W262-L593 HydrophobicContact CD2-CB 3.89Å; W262-L593 HydrophobicContact CD2-CD2 3.8Å; W262-L593 HydrophobicContact CE3-CD2 3.75Å; W262-L593 HydrophobicContact CG-CB 3.9Å; W262-L593 HydrophobicContact CG-CD2 4.26Å; W262-L593 HydrophobicContact CZ3-CD2 4.19Å
263	Y	85.6	Confident	93	Very high	166 Å²	166	53 Å²	53	65%	0.651	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.7	131.7	-173.4	-58	-68.6	0	0	0	112.1	E261 I265	E261-Y263 HydrophobicContact CB-CD2 4.28Å; E261-Y263 HydrophobicContact CB-CE2 3.65Å; E261-Y263 HydrophobicContact CG-CE2 3.94Å; E261-Y263 WeakPolarHBondContact O-CD2 3.33Å; E261-Y263 PolarHBondContact O-N 3.31Å; Y263-I265 PolarHBondContact O-N 2.78Å
264	G	87.1	Confident	92.9	Very high	52 Å²	52	51.7 Å²	51.7	54%	0.536	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	73.1	-38	-176.2	0	0	0	0	0	115.1	W262 G267 M268	W262-G264 PolarHBondContact O-N 3.3Å; G264-G267 PolarHBondContact O-N 3.04Å; G264-M268 WeakPolarHBondContact O-CE 3.36Å; G264-M268 PolarHBondContact O-N 3.41Å
265	I	92.7	Very high	92.8	Very high	2 Å²	2	53.4 Å²	53.4	1%	0.01	30%	0.304	C	S	.	.	H	α-helix	trans	-68.7	-39.2	-176.5	-56.3	-71.3	0	0	0	111.7	W262 Y263 G267 M268 Q269 K561 A564 L568 L593 A595	W262-I265 HydrophobicContact CE3-CB 4.27Å; W262-I265 HydrophobicContact CE3-CG2 3.69Å; W262-I265 HydrophobicContact CZ3-CG2 4.11Å; W262-I265 PolarHBondContact O-N 2.93Å; Y263-I265 PolarHBondContact O-N 2.78Å; I265-G267 VanDerWaalsContact C-N 3.31Å; I265-G267 PolarHBondContact O-N 3.09Å; I265-M268 HydrophobicContact CD1-CE 3.74Å; I265-M268 PolarHBondContact O-N 3.41Å; I265-Q269 HydrophobicContact CG2-CG 4.45Å; I265-Q269 PolarHBondContact O-N 3.28Å; I265-K561 HydrophobicContact CD1-CB 4.28Å; I265-A564 HydrophobicContact CD1-CB 3.59Å; I265-A564 HydrophobicContact CG2-CB 4.21Å; I265-L568 HydrophobicContact CG2-CD1 4.05Å; I265-L593 HydrophobicContact CB-CD2 4.09Å; I265-L593 HydrophobicContact CG1-CD2 3.72Å; I265-L593 HydrophobicContact CG2-CD2 4Å; I265-A595 HydrophobicContact CG1-CB 4.49Å
266	K	94.3	Very high	92.8	Very high	60 Å²	60	53.3 Å²	53.3	26%	0.261	30%	0.303	S	S	.	.	H	α-helix	trans	-55.6	-46.3	174.4	-68.3	-172.5	-175.9	-160.3	0	112.3	L256 A257 L259 W262 Q269 A270	L256-K266 HydrophobicContact CD2-CG 4.45Å; L256-K266 VanDerWaalsContact O-CD 3.29Å; L256-K266 WeakPolarHBondContact O-CD 3.48Å; L256-K266 WeakPolarHBondContact O-CE 3.33Å; L256-K266 PolarHBondContact O-NZ 3.46Å; A257-K266 PolarHBondContact O-NZ 3.18Å; L259-K266 WeakPolarHBondContact O-CE 3.33Å; L259-K266 PolarHBondContact O-NZ 3.22Å; W262-K266 HydrophobicContact CB-CG 3.82Å; W262-K266 PolarHBondContact O-N 2.87Å; K266-Q269 PolarHBondContact O-N 3.18Å; K266-A270 VanDerWaalsContact O-CB 3.31Å; K266-A270 WeakPolarHBondContact O-CB 3.46Å; K266-A270 PolarHBondContact O-N 2.93Å
267	G	94.4	Very high	92.8	Very high	49 Å²	49	56.6 Å²	56.6	51%	0.505	32%	0.323	S	S	.	.	H	α-helix	trans	-64.1	-42.8	179.8	0	0	0	0	0	111.9	G264 I265 A270 H271	G264-G267 PolarHBondContact O-N 3.04Å; I265-G267 VanDerWaalsContact C-N 3.31Å; I265-G267 PolarHBondContact O-N 3.09Å; G267-A270 PolarHBondContact O-N 3.38Å; G267-H271 VanDerWaalsContact O-CB 3.31Å; G267-H271 WeakPolarHBondContact O-CB 3.38Å; G267-H271 PolarHBondContact O-N 2.99Å
268	M	94.3	Very high	92.9	Very high	81 Å²	81	52.8 Å²	52.8	40%	0.399	29%	0.292	S	S	.	.	H	α-helix	trans	-60.7	-45	174.7	-73	-176.3	-102.7	0	0	112	G264 I265 W272 A564 V565	G264-M268 WeakPolarHBondContact O-CE 3.36Å; G264-M268 PolarHBondContact O-N 3.41Å; I265-M268 HydrophobicContact CD1-CE 3.74Å; I265-M268 PolarHBondContact O-N 3.41Å; M268-W272 VanDerWaalsContact O-CB 3.26Å; M268-W272 WeakPolarHBondContact O-CB 3.47Å; M268-W272 PolarHBondContact O-N 2.77Å; M268-A564 HydrophobicContact CB-CB 4.25Å; M268-A564 HydrophobicContact CE-CB 4.34Å; M268-A564 HydrophobicContact SD-CB 3.81Å; M268-V565 HydrophobicContact CB-CG1 4.15Å
269	Q	95.3	Very high	93.2	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-70.8	-40.1	178.4	-71.8	-162.6	0.9	0	0	113	L256 I265 K266 H271 W272 I273 A564	L256-Q269 HydrophobicContact CD1-CB 4.31Å; L256-Q269 HydrophobicContact CD2-CB 4.19Å; I265-Q269 HydrophobicContact CG2-CG 4.45Å; I265-Q269 PolarHBondContact O-N 3.28Å; K266-Q269 PolarHBondContact O-N 3.18Å; Q269-H271 VanDerWaalsContact C-N 3.33Å; Q269-H271 PolarHBondContact O-N 3.21Å; Q269-W272 WeakPolarHBondContact O-CB 3.43Å; Q269-W272 PolarHBondContact O-N 2.99Å; Q269-I273 WeakPolarHBondContact O-CB 3.2Å; Q269-I273 VanDerWaalsContact O-CG1 3.29Å; Q269-I273 WeakPolarHBondContact O-CG1 3.05Å; Q269-I273 PolarHBondContact O-N 3.5Å; Q269-A564 WeakPolarHBondContact CG-O 3.29Å; Q269-A564 PolarHBondContact NE2-O 3.22Å
270	A	95.8	Very high	93.4	Very high	37 Å²	37	48 Å²	48	31%	0.306	27%	0.265	S	S	.	.	H	α-helix	trans	-60.1	-45.5	174.6	0	0	0	0	0	111	L256 K266 G267 W272 I273 G274	L256-A270 HydrophobicContact CD1-CB 3.85Å; K266-A270 VanDerWaalsContact O-CB 3.31Å; K266-A270 WeakPolarHBondContact O-CB 3.46Å; K266-A270 PolarHBondContact O-N 2.93Å; G267-A270 PolarHBondContact O-N 3.38Å; A270-W272 VanDerWaalsContact C-N 3.33Å; A270-W272 PolarHBondContact O-N 2.68Å; A270-I273 PolarHBondContact O-N 3.38Å; A270-G274 PolarHBondContact O-N 3.25Å
271	H	94	Very high	93.7	Very high	133 Å²	133	46 Å²	46	62%	0.616	25%	0.252	S	S	*	.	H	α-helix	trans	-64.8	-37.1	175.3	-178.6	72.6	0	0	0	112.4	G267 Q269 K443	G267-H271 VanDerWaalsContact O-CB 3.31Å; G267-H271 WeakPolarHBondContact O-CB 3.38Å; G267-H271 PolarHBondContact O-N 2.99Å; Q269-H271 VanDerWaalsContact C-N 3.33Å; Q269-H271 PolarHBondContact O-N 3.21Å; H271-K443 PolarHBondContact CD2-NZ 3.36Å; H271-K443 PolarHBondContact CE1-NZ 2.96Å; H271-K443 PolarHBondContact NE2-NZ 3.37Å; H271-K443 WeakPolarHBondContact O-CD 3.45Å; H271-K443 WeakPolarHBondContact O-CE 3.06Å; H271-K443 PolarHBondContact O-NZ 2.97Å
272	W	91.9	Very high	94.2	Very high	69 Å²	69	44.5 Å²	44.5	26%	0.261	25%	0.246	S	C	.	.	H	α-helix	trans	-65.8	-47	177.4	-174.7	-102.2	0	0	0	112.2	E218 M268 Q269 A270 V565	E218-W272 HydrophobicContact CG-CH2 3.81Å; E218-W272 HydrophobicContact CG-CZ2 3.56Å; E218-W272 WeakPolarHBondContact OE1-CZ2 3.19Å; M268-W272 VanDerWaalsContact O-CB 3.26Å; M268-W272 WeakPolarHBondContact O-CB 3.47Å; M268-W272 PolarHBondContact O-N 2.77Å; Q269-W272 WeakPolarHBondContact O-CB 3.43Å; Q269-W272 PolarHBondContact O-N 2.99Å; A270-W272 VanDerWaalsContact C-N 3.33Å; A270-W272 PolarHBondContact O-N 2.68Å; W272-V565 HydrophobicContact CB-CB 4.18Å; W272-V565 HydrophobicContact CB-CG1 3.71Å; W272-V565 HydrophobicContact CD2-CB 3.78Å; W272-V565 HydrophobicContact CD2-CG1 4.17Å; W272-V565 HydrophobicContact CD2-CG2 4.22Å; W272-V565 HydrophobicContact CE3-CB 4.08Å; W272-V565 HydrophobicContact CE3-CG1 4.32Å; W272-V565 HydrophobicContact CE3-CG2 4.08Å; W272-V565 HydrophobicContact CG-CB 3.8Å; W272-V565 HydrophobicContact CG-CG1 3.9Å; W272-V565 HydrophobicContact CZ3-CG2 4.4Å
273	I	95.2	Very high	94.5	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-66.2	-40.4	177.7	-66.5	167.2	0	0	0	110.3	A249 M252 Q253 Q269 A270 C276 S441 F569	A249-I273 HydrophobicContact CB-CG2 4.17Å; M252-I273 HydrophobicContact CB-CD1 4.15Å; Q253-I273 HydrophobicContact CB-CD1 4.5Å; Q253-I273 HydrophobicContact CB-CG2 4.24Å; Q269-I273 WeakPolarHBondContact O-CB 3.2Å; Q269-I273 VanDerWaalsContact O-CG1 3.29Å; Q269-I273 WeakPolarHBondContact O-CG1 3.05Å; Q269-I273 PolarHBondContact O-N 3.5Å; A270-I273 PolarHBondContact O-N 3.38Å; I273-C276 VanDerWaalsContact CG2-SG 3.55Å; I273-S441 WeakPolarHBondContact O-CB 3.47Å; I273-S441 PolarHBondContact O-OG 2.83Å; I273-F569 HydrophobicContact CD1-CD2 4.45Å; I273-F569 HydrophobicContact CD1-CE2 3.99Å; I273-F569 HydrophobicContact CG1-CD2 4.32Å; I273-F569 HydrophobicContact CG1-CE2 3.69Å
274	G	94.8	Very high	95	Very high	10 Å²	10	38.9 Å²	38.9	10%	0.103	23%	0.229	C	C	.	.			trans	75.7	176.2	-174.1	0	0	0	0	0	113	Q253 A270 C276	Q253-G274 PolarHBondContact NE2-O 2.72Å; A270-G274 PolarHBondContact O-N 3.25Å; G274-C276 PolarHBondContact O-N 3.41Å
275	D	95.1	Very high	95.5	Very high	117 Å²	117	36.4 Å²	36.4	63%	0.626	20%	0.203	S	C	*	.			trans	-75.3	112.7	-174.7	-65.7	-36.5	0	0	0	111.1	V277 S441	D275-V277 VanDerWaalsContact C-N 3.28Å; D275-V277 HydrophobicContact CB-CG1 4.2Å; D275-V277 PolarHBondContact O-N 3.07Å; D275-S441 VanDerWaalsContact O-CA 3.28Å; D275-S441 WeakPolarHBondContact O-CA 3.1Å; D275-S441 WeakPolarHBondContact O-CB 3.4Å
276	C	96.6	Very high	95.7	Very high	10 Å²	10	38.9 Å²	38.9	7%	0.068	21%	0.214	C	C	.	.			trans	-82.2	74	-177.6	-65.4	0	0	0	0	110.9	K250 I273 G274 V439 T440	K250-C276 HydrophobicContact CB-CB 4.15Å; K250-C276 HydrophobicContact CD-CB 3.85Å; I273-C276 VanDerWaalsContact CG2-SG 3.55Å; G274-C276 PolarHBondContact O-N 3.41Å; C276-V439 HydrophobicContact CB-CG1 4.21Å; C276-V439 VanDerWaalsContact O-CG1 3.3Å; C276-V439 WeakPolarHBondContact O-CG1 3.1Å; C276-T440 WeakPolarHBondContact CA-O 3.37Å
277	V	95.1	Very high	95.8	Very high	80 Å²	80	37.3 Å²	37.3	49%	0.485	21%	0.21	S	C	.	.			trans	-105.4	-14.7	-177	-62.1	0	0	0	0	113.5	D275 A301 F423 T440	D275-V277 VanDerWaalsContact C-N 3.28Å; D275-V277 HydrophobicContact CB-CG1 4.2Å; D275-V277 PolarHBondContact O-N 3.07Å; V277-A301 HydrophobicContact CG2-CB 4.13Å; V277-F423 VanDerWaalsContact O-CE2 3.3Å; V277-F423 WeakPolarHBondContact O-CE2 3.48Å; V277-T440 PolarHBondContact N-O 3.11Å
278	G	95.9	Very high	95.5	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	-169.6	-172.8	0	0	0	0	0	113.5	Y299 T300 V439 T440	G278-Y299 WeakPolarHBondContact CA-OH 3.44Å; G278-Y299 PolarHBondContact N-OH 3.06Å; G278-T300 CarbonylContact C-O 3.57Å; G278-T300 WeakPolarHBondContact CA-O 3.42Å; G278-V439 CarbonylContact O-C 3.59Å; G278-V439 VanDerWaalsContact O-CA 3.3Å; G278-V439 WeakPolarHBondContact O-CA 3.14Å; G278-T440 CarbonylContact C-O 3.6Å; G278-T440 PolarHBondContact N-O 2.93Å; G278-T440 PolarHBondContact O-N 3.4Å; G278-T440 VanDerWaalsContact O-O 3.04Å
279	C	97.1	Very high	95.2	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.9	161.9	171.4	71.2	0	0	0	0	111.6	T300 P303 D438	C279-T300 PolarHBondContact N-O 2.94Å; C279-T300 PolarHBondContact O-N 3.02Å; C279-T300 VanDerWaalsContact O-N 3.09Å; C279-P303 WeakPolarHBondContact SG-CB 3.01Å; C279-D438 WeakPolarHBondContact CB-O 3.44Å
280	H	96.5	Very high	95.1	Very high	41 Å²	41	48.7 Å²	48.7	19%	0.19	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	146.2	167.1	-66.8	-88.8	0	0	0	111.4	T297 A298 Y299 G436 G437	H280-T297 HydrophobicContact CB-CG2 3.61Å; H280-A298 CarbonylContact C-O 3.52Å; H280-A298 WeakPolarHBondContact CA-O 3.35Å; H280-Y299 AromaticContact NE2-CD2 3.96Å; H280-G436 CarbonylContact O-C 3.51Å; H280-G436 VanDerWaalsContact O-CA 3.23Å; H280-G436 WeakPolarHBondContact O-CA 3.3Å; H280-G437 PolarHBondContact O-N 2.82Å
281	L	97.5	Very high	95	Very high	0 Å²	0	50.9 Å²	50.9	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	145.6	171.6	-64.5	172.5	0	0	0	110.9	F283 T297 A298 I306 L351 I374 A430 V435	L281-F283 HydrophobicContact CB-CE2 4.31Å; L281-F283 WeakPolarHBondContact O-CD2 3.22Å; L281-F283 WeakPolarHBondContact O-CE2 3.33Å; L281-T297 WeakPolarHBondContact O-CA 3.5Å; L281-A298 PolarHBondContact N-O 3.29Å; L281-A298 PolarHBondContact O-N 3.27Å; L281-I306 HydrophobicContact CD1-CB 4.5Å; L281-I306 HydrophobicContact CD1-CD1 3.63Å; L281-I306 HydrophobicContact CD1-CG1 3.81Å; L281-L351 HydrophobicContact CD2-CD2 4.31Å; L281-I374 HydrophobicContact CB-CD1 4.08Å; L281-I374 HydrophobicContact CD1-CD1 4.21Å; L281-I374 HydrophobicContact CG-CD1 4.5Å; L281-A430 HydrophobicContact CD2-CB 3.7Å; L281-V435 WeakPolarHBondContact CA-O 3.18Å
282	D	97	Very high	95	Very high	25 Å²	25	46.5 Å²	46.5	13%	0.134	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	142.4	-177.4	-69.9	-21.5	0	0	0	112.8	T297 M350 V435	D282-T297 WeakPolarHBondContact OD1-CB 3.5Å; D282-T297 WeakPolarHBondContact OD1-CG2 3.35Å; D282-T297 PolarHBondContact OD1-OG1 3.39Å; D282-M350 HydrophobicContact CB-CG 4.36Å; D282-M350 HydrophobicContact CB-SD 3.88Å; D282-M350 WeakPolarHBondContact O-CB 3.43Å; D282-M350 WeakPolarHBondContact O-CG 3.33Å; D282-M350 PolarHBondContact O-N 3.45Å; D282-V435 HydrophobicContact CB-CB 4.34Å; D282-V435 PolarHBondContact N-O 2.82Å
283	F	98.1	Very high	94.9	Very high	1 Å²	1	46.9 Å²	46.9	0%	0.004	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	139.1	177.3	-61.9	-106.3	0	0	0	110	L281 K295 L296 A298 V312 A347 V348 N349 I374	L281-F283 HydrophobicContact CB-CE2 4.31Å; L281-F283 WeakPolarHBondContact O-CD2 3.22Å; L281-F283 WeakPolarHBondContact O-CE2 3.33Å; F283-K295 CarbonylContact O-C 3.55Å; F283-K295 WeakPolarHBondContact O-CA 3.36Å; F283-L296 HydrophobicContact CB-CB 4.43Å; F283-L296 WeakPolarHBondContact CB-O 3.23Å; F283-L296 PolarHBondContact N-O 2.97Å; F283-L296 PolarHBondContact O-N 2.89Å; F283-A298 HydrophobicContact CD2-CB 4.44Å; F283-A298 HydrophobicContact CE2-CB 4.08Å; F283-V312 HydrophobicContact CD1-CG2 3.91Å; F283-V312 HydrophobicContact CD2-CG2 4.48Å; F283-V312 HydrophobicContact CE1-CG2 3.55Å; F283-V312 HydrophobicContact CE2-CG2 4.2Å; F283-V312 HydrophobicContact CG-CG2 4.37Å; F283-V312 HydrophobicContact CZ-CG2 3.73Å; F283-A347 HydrophobicContact CB-CB 4.05Å; F283-A347 HydrophobicContact CD1-CB 3.79Å; F283-A347 HydrophobicContact CG-CB 4.19Å; F283-V348 CarbonylContact C-O 3.46Å; F283-V348 WeakPolarHBondContact CA-O 3.49Å; F283-N349 VanDerWaalsContact CD1-CA 3.41Å; F283-N349 HydrophobicContact CD1-CB 3.81Å; F283-N349 HydrophobicContact CE1-CB 3.52Å; F283-N349 HydrophobicContact CZ-CB 4.23Å; F283-N349 WeakPolarHBondContact CZ-ND2 3.22Å; F283-I374 HydrophobicContact CE2-CD1 3.71Å; F283-I374 HydrophobicContact CE2-CG1 3.87Å; F283-I374 HydrophobicContact CZ-CD1 3.74Å; F283-I374 HydrophobicContact CZ-CG1 3.84Å; F283-I374 HydrophobicContact CZ-CG2 4.35Å
284	T	97.6	Very high	94.7	Very high	49 Å²	49	48.3 Å²	48.3	30%	0.301	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90	145.2	163.6	52.4	0	0	0	0	110	V348 M350	T284-V348 PolarHBondContact N-O 2.73Å; T284-V348 PolarHBondContact O-N 3.43Å; T284-M350 HydrophobicContact CG2-CE 3.94Å; T284-M350 HydrophobicContact CG2-CG 4.05Å; T284-M350 HydrophobicContact CG2-SD 3.84Å
285	L	97.5	Very high	94.6	Very high	1 Å²	1	53.1 Å²	53.1	1%	0.005	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	144	-175.7	-57	177.7	0	0	0	112.3	T292 E294 L296 L320 L327 V345 M346 A347 V358	L285-T292 PolarHBondContact O-N 3.2Å; L285-T292 PolarHBondContact O-OG1 2.98Å; L285-E294 HydrophobicContact CD1-CB 4.13Å; L285-E294 PolarHBondContact N-O 3.42Å; L285-L296 HydrophobicContact CD1-CB 4.14Å; L285-L296 HydrophobicContact CD2-CB 3.88Å; L285-L296 HydrophobicContact CD2-CD2 4.29Å; L285-L296 HydrophobicContact CG-CB 4.25Å; L285-L320 HydrophobicContact CD1-CD1 3.64Å; L285-L320 HydrophobicContact CD1-CD2 4.18Å; L285-L327 HydrophobicContact CB-CD1 3.94Å; L285-L327 HydrophobicContact CD1-CD1 3.3Å; L285-L327 HydrophobicContact CG-CD1 4.24Å; L285-V345 HydrophobicContact CB-CG1 4.35Å; L285-V345 HydrophobicContact CD2-CG1 4.41Å; L285-M346 CarbonylContact C-O 3.55Å; L285-M346 WeakPolarHBondContact CA-O 3.38Å; L285-A347 HydrophobicContact CD2-CB 3.92Å; L285-V358 HydrophobicContact CD2-CG2 4.18Å
286	K	96.8	Very high	94.6	Very high	54 Å²	54	47.7 Å²	47.7	24%	0.235	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	149.6	175	-66.4	178.5	-177.8	168.6	0	111.2	Q290 V345 M346 V348 E355	K286-Q290 CarbonylContact C-O 3.59Å; K286-Q290 WeakPolarHBondContact CA-O 3.4Å; K286-Q290 WeakPolarHBondContact CB-O 3.34Å; K286-V345 WeakPolarHBondContact O-CA 3.17Å; K286-M346 HydrophobicContact CB-CB 4.37Å; K286-M346 PolarHBondContact N-O 3.36Å; K286-M346 PolarHBondContact O-N 3.47Å; K286-V348 HydrophobicContact CD-CG2 3.93Å; K286-V348 HydrophobicContact CG-CG2 4.34Å; K286-E355 IonicContact NZ-OE2 2.77Å; K286-E355 PolarHBondContact NZ-OE2 3.16Å
287	V	94.9	Very high	94.5	Very high	27 Å²	27	50.1 Å²	50.1	16%	0.164	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	128.4	168.1	178	0	0	0	0	107.9	G289 Q290 T292 L327 V345	V287-G289 PolarHBondContact O-N 2.8Å; V287-G289 VanDerWaalsContact O-N 3.16Å; V287-Q290 PolarHBondContact N-O 3.25Å; V287-Q290 PolarHBondContact O-N 3.11Å; V287-T292 HydrophobicContact CB-CG2 4.3Å; V287-T292 HydrophobicContact CG2-CG2 3.86Å; V287-L327 HydrophobicContact CG2-CD2 3.39Å; V287-V345 HydrophobicContact CG2-CB 4.46Å; V287-V345 HydrophobicContact CG2-CG1 4.43Å; V287-V345 HydrophobicContact CG2-CG2 3.96Å
288	H	89.7	Confident	94.5	Very high	163 Å²	163	46.3 Å²	46.3	76%	0.755	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	50	39.4	-175.8	-53.7	-55.5	0	0	0	113.5	Q290	H288-Q290 PolarHBondContact O-N 3.12Å
289	G	87.9	Confident	94.6	Very high	55 Å²	55	46.9 Å²	46.9	57%	0.567	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.5	-5.8	-179.7	0	0	0	0	0	115.6	V287	V287-G289 PolarHBondContact O-N 2.8Å; V287-G289 VanDerWaalsContact O-N 3.16Å
290	Q	92.9	Very high	94.6	Very high	150 Å²	150	47.1 Å²	47.1	70%	0.701	28%	0.28	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-96.3	135.9	179.1	-63.4	-172.5	-11.8	0	0	111.5	K286 V287 H288	K286-Q290 CarbonylContact C-O 3.59Å; K286-Q290 WeakPolarHBondContact CA-O 3.4Å; K286-Q290 WeakPolarHBondContact CB-O 3.34Å; V287-Q290 PolarHBondContact N-O 3.25Å; V287-Q290 PolarHBondContact O-N 3.11Å; H288-Q290 PolarHBondContact O-N 3.12Å
291	A	93.8	Very high	94.5	Very high	84 Å²	84	47.5 Å²	47.5	69%	0.694	29%	0.29	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-68.6	136.3	176.5	0	0	0	0	0	111.1
292	T	93.2	Very high	94.5	Very high	40 Å²	40	48.7 Å²	48.7	25%	0.245	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	-14.6	-174.4	69.9	0	0	0	0	112	L285 V287 E294 L327	L285-T292 PolarHBondContact O-N 3.2Å; L285-T292 PolarHBondContact O-OG1 2.98Å; V287-T292 HydrophobicContact CB-CG2 4.3Å; V287-T292 HydrophobicContact CG2-CG2 3.86Å; T292-E294 PolarHBondContact O-N 3.02Å; T292-E294 PolarHBondContact OG1-N 2.94Å; T292-L327 HydrophobicContact CG2-CD2 3.54Å
293	G	89.5	Confident	94.5	Very high	77 Å²	77	47.5 Å²	47.5	79%	0.794	29%	0.291	S	S	*	.	E	Extended strand (participates in β ladder)	trans	79	-7.8	-171.7	0	0	0	0	0	113.9
294	E	91.4	Very high	94.5	Very high	31 Å²	31	47.9 Å²	47.9	15%	0.145	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85	151.2	175.1	-69.6	-157.3	-125.3	0	0	112.6	L285 T292 R319 L320 S325 S326	L285-E294 HydrophobicContact CD1-CB 4.13Å; L285-E294 PolarHBondContact N-O 3.42Å; T292-E294 PolarHBondContact O-N 3.02Å; T292-E294 PolarHBondContact OG1-N 2.94Å; E294-R319 IonicContact OE2-CZ 2.81Å; E294-R319 IonicContact OE2-NH1 3.81Å; E294-R319 PolarHBondContact OE2-NH1 3.07Å; E294-R319 IonicContact OE2-NH2 3.74Å; E294-L320 WeakPolarHBondContact OE2-CD2 3.38Å; E294-S325 PolarHBondContact OE1-OG 2.83Å; E294-S326 PolarHBondContact OE1-N 3.39Å; E294-S326 PolarHBondContact OE1-OG 3.18Å
295	K	92.8	Very high	94.4	Very high	110 Å²	110	45.6 Å²	45.6	48%	0.478	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	147.4	175.2	-64.6	-173.9	178.2	-171.7	0	111.4	F283 R319 M350	F283-K295 CarbonylContact O-C 3.55Å; F283-K295 WeakPolarHBondContact O-CA 3.36Å; K295-R319 PolarHBondContact O-NH2 3.02Å; K295-M350 HydrophobicContact CD-SD 4.35Å
296	L	94.1	Very high	94.4	Very high	3 Å²	3	45.5 Å²	45.5	2%	0.016	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	131.2	171.8	176.3	60.6	0	0	0	108.5	F283 L285 V312 I314 H318 L320 V358	F283-L296 HydrophobicContact CB-CB 4.43Å; F283-L296 WeakPolarHBondContact CB-O 3.23Å; F283-L296 PolarHBondContact N-O 2.97Å; F283-L296 PolarHBondContact O-N 2.89Å; L285-L296 HydrophobicContact CD1-CB 4.14Å; L285-L296 HydrophobicContact CD2-CB 3.88Å; L285-L296 HydrophobicContact CD2-CD2 4.29Å; L285-L296 HydrophobicContact CG-CB 4.25Å; L296-V312 HydrophobicContact CD2-CB 4.33Å; L296-V312 HydrophobicContact CD2-CG1 3.5Å; L296-V312 HydrophobicContact CG-CG1 4.33Å; L296-I314 HydrophobicContact CD1-CG2 4.21Å; L296-I314 HydrophobicContact CD2-CG2 3.96Å; L296-H318 VanDerWaalsContact CD1-CE1 3.48Å; L296-H318 WeakPolarHBondContact CD1-CE1 3.5Å; L296-H318 WeakPolarHBondContact CD1-NE2 3.35Å; L296-L320 HydrophobicContact CD1-CD1 4.17Å; L296-V358 HydrophobicContact CD2-CG2 4.48Å
297	T	94.6	Very high	94.5	Very high	61 Å²	61	44.7 Å²	44.7	37%	0.374	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	115.6	176.7	-60	0	0	0	0	107.1	H280 L281 D282 S372	H280-T297 HydrophobicContact CB-CG2 3.61Å; L281-T297 WeakPolarHBondContact O-CA 3.5Å; D282-T297 WeakPolarHBondContact OD1-CB 3.5Å; D282-T297 WeakPolarHBondContact OD1-CG2 3.35Å; D282-T297 PolarHBondContact OD1-OG1 3.39Å; T297-S372 PolarHBondContact O-OG 3.32Å
298	A	96.3	Very high	94.6	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	148.7	-173.8	0	0	0	0	0	111.6	H280 L281 F283 V312 S372 I374	H280-A298 CarbonylContact C-O 3.52Å; H280-A298 WeakPolarHBondContact CA-O 3.35Å; L281-A298 PolarHBondContact N-O 3.29Å; L281-A298 PolarHBondContact O-N 3.27Å; F283-A298 HydrophobicContact CD2-CB 4.44Å; F283-A298 HydrophobicContact CE2-CB 4.08Å; A298-V312 HydrophobicContact CB-CG1 3.65Å; A298-S372 WeakPolarHBondContact CA-OG 3.43Å; A298-I374 HydrophobicContact CB-CD1 4.37Å; A298-I374 HydrophobicContact CB-CG1 3.58Å
299	Y	97.2	Very high	95	Very high	12 Å²	12	35.8 Å²	35.8	5%	0.047	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93	147.8	-177.3	178.4	-94.2	0	0	0	112.8	G278 H280 A301 L370 S372 K373 I374 T440 D442	G278-Y299 WeakPolarHBondContact CA-OH 3.44Å; G278-Y299 PolarHBondContact N-OH 3.06Å; H280-Y299 AromaticContact NE2-CD2 3.96Å; Y299-A301 HydrophobicContact CE1-CB 4.16Å; Y299-L370 VanDerWaalsContact CB-CD2 3.5Å; Y299-L370 HydrophobicContact CD1-CD1 3.54Å; Y299-L370 HydrophobicContact CD1-CD2 4.27Å; Y299-L370 HydrophobicContact CD2-CD2 4.36Å; Y299-L370 HydrophobicContact CE1-CD1 4.34Å; Y299-L370 HydrophobicContact CG-CD1 3.92Å; Y299-L370 HydrophobicContact CG-CD2 3.81Å; Y299-S372 PolarHBondContact N-O 2.84Å; Y299-K373 CarbonylContact O-C 3.58Å; Y299-K373 WeakPolarHBondContact O-CA 3.47Å; Y299-I374 PolarHBondContact O-N 2.65Å; Y299-T440 HydrophobicContact CE2-CG2 4.34Å; Y299-D442 HydrophobicContact CD1-CB 4.28Å; Y299-D442 HydrophobicContact CE1-CB 3.85Å
300	T	96.6	Very high	95.4	Very high	5 Å²	5	33.2 Å²	33.2	3%	0.031	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	144.4	161.5	178.9	0	0	0	0	111	G278 C279 T302 P303 I374	G278-T300 CarbonylContact C-O 3.57Å; G278-T300 WeakPolarHBondContact CA-O 3.42Å; C279-T300 PolarHBondContact N-O 2.94Å; C279-T300 PolarHBondContact O-N 3.02Å; C279-T300 VanDerWaalsContact O-N 3.09Å; T300-T302 VanDerWaalsContact C-N 3.34Å; T300-T302 PolarHBondContact OG1-N 3.29Å; T300-T302 PolarHBondContact OG1-OG1 3.46Å; T300-P303 HydrophobicContact CG2-CB 3.82Å; T300-I374 HydrophobicContact CG2-CD1 3.97Å
301	A	95.9	Very high	95.7	Very high	49 Å²	49	26 Å²	26	41%	0.405	17%	0.171	S	C	.	.	S	Bend	trans	-83.1	-10.8	171.3	0	0	0	0	0	113.1	V277 Y299 P303	V277-A301 HydrophobicContact CG2-CB 4.13Å; Y299-A301 HydrophobicContact CE1-CB 4.16Å; A301-P303 VanDerWaalsContact C-CD 3.4Å
302	T	96.8	Very high	95.9	Very high	25 Å²	25	22 Å²	22	15%	0.153	14%	0.138	C	C	.	.			trans	-127.3	58.4	-178.7	49.9	0	0	0	0	110.7	T300 E304 A305 T379	T300-T302 VanDerWaalsContact C-N 3.34Å; T300-T302 PolarHBondContact OG1-N 3.29Å; T300-T302 PolarHBondContact OG1-OG1 3.46Å; T302-E304 VanDerWaalsContact CA-OE2 3.27Å; T302-E304 WeakPolarHBondContact CA-OE2 3.47Å; T302-E304 PolarHBondContact O-N 2.88Å; T302-E304 VanDerWaalsContact O-N 3.13Å; T302-A305 PolarHBondContact O-N 3.39Å; T302-T379 HydrophobicContact CG2-CG2 4.1Å; T302-T379 PolarHBondContact OG1-OG1 2.63Å
303	P	97	Very high	96.1	Very high	0 Å²	0	20.3 Å²	20.3	0%	0	13%	0.128	C	C	.	.	G	3₁₀ helix	trans	-61.2	-24.7	-174.3	28.2	-36.3	0	0	0	113.4	C279 T300 A301 A305 I306 F423 L426 T427	C279-P303 WeakPolarHBondContact SG-CB 3.01Å; T300-P303 HydrophobicContact CG2-CB 3.82Å; A301-P303 VanDerWaalsContact C-CD 3.4Å; P303-A305 PolarHBondContact O-N 2.95Å; P303-I306 WeakPolarHBondContact O-CB 3.4Å; P303-I306 PolarHBondContact O-N 2.89Å; P303-F423 HydrophobicContact CG-CD2 3.49Å; P303-F423 VanDerWaalsContact CG-CD2 3.49Å; P303-F423 HydrophobicContact CG-CE2 3.36Å; P303-F423 HydrophobicContact CG-CZ 4.36Å; P303-L426 HydrophobicContact CB-CD2 4.13Å; P303-L426 WeakPolarHBondContact O-CD1 3.25Å; P303-L426 WeakPolarHBondContact O-CD2 3.37Å; P303-T427 HydrophobicContact CB-CG2 4.43Å; P303-T427 HydrophobicContact CG-CG2 4.04Å
304	E	97.3	Very high	96.4	Very high	10 Å²	10	16.7 Å²	16.7	5%	0.047	9%	0.09	C	C	.	.	G	3₁₀ helix	trans	-59.9	-28	173.1	74.9	-76.2	-175.8	0	0	113.2	T302 I306 L408 R419 A422 F423	T302-E304 VanDerWaalsContact CA-OE2 3.27Å; T302-E304 WeakPolarHBondContact CA-OE2 3.47Å; T302-E304 PolarHBondContact O-N 2.88Å; T302-E304 VanDerWaalsContact O-N 3.13Å; E304-I306 VanDerWaalsContact C-N 3.35Å; E304-L408 HydrophobicContact CG-CD1 4.49Å; E304-L408 HydrophobicContact CG-CD2 4.46Å; E304-L408 WeakPolarHBondContact O-CD1 3.28Å; E304-R419 HydrophobicContact CG-CB 4.3Å; E304-R419 HydrophobicContact CG-CG 4.47Å; E304-R419 IonicContact OE1-CZ 2.71Å; E304-R419 VanDerWaalsContact OE1-CZ 3.27Å; E304-R419 IonicContact OE1-NE 2.89Å; E304-R419 PolarHBondContact OE1-NE 3.16Å; E304-R419 IonicContact OE1-NH2 3.13Å; E304-R419 PolarHBondContact OE1-NH2 2.73Å; E304-A422 HydrophobicContact CB-CB 3.87Å; E304-F423 HydrophobicContact CB-CB 4.15Å
305	A	97.3	Very high	96.4	Very high	0 Å²	0	15.3 Å²	15.3	0%	0	8%	0.084	C	C	.	.	G	3₁₀ helix	trans	-93.4	16	-178	0	0	0	0	0	113.4	T302 P303 Y307 G308 I376 T379 V397 I398	T302-A305 PolarHBondContact O-N 3.39Å; P303-A305 PolarHBondContact O-N 2.95Å; A305-Y307 PolarHBondContact O-N 3.25Å; A305-G308 PolarHBondContact O-N 2.85Å; A305-I376 HydrophobicContact CB-CD1 4.46Å; A305-I376 HydrophobicContact CB-CG2 3.93Å; A305-I376 WeakPolarHBondContact O-CG2 3.36Å; A305-T379 HydrophobicContact CB-CG2 3.7Å; A305-V397 HydrophobicContact CB-CG2 3.99Å; A305-I398 HydrophobicContact CB-CD1 4.49Å
306	I	97.4	Very high	96.3	Very high	0 Å²	0	11.7 Å²	11.7	0%	0	7%	0.072	C	C	.	.	G	3₁₀ helix	trans	-57.5	-26.7	-171.8	-167.7	64.2	0	0	0	114.7	L281 P303 E304 G308 T309 N349 T352 I374 L426	L281-I306 HydrophobicContact CD1-CB 4.5Å; L281-I306 HydrophobicContact CD1-CD1 3.63Å; L281-I306 HydrophobicContact CD1-CG1 3.81Å; P303-I306 WeakPolarHBondContact O-CB 3.4Å; P303-I306 PolarHBondContact O-N 2.89Å; E304-I306 VanDerWaalsContact C-N 3.35Å; I306-G308 PolarHBondContact O-N 3.03Å; I306-T309 WeakPolarHBondContact CD1-OG1 3.49Å; I306-T309 WeakPolarHBondContact O-CB 3.29Å; I306-T309 PolarHBondContact O-N 3.28Å; I306-T309 VanDerWaalsContact O-N 3.15Å; I306-T309 PolarHBondContact O-OG1 2.81Å; I306-N349 WeakPolarHBondContact CG1-ND2 3.44Å; I306-T352 HydrophobicContact CB-CG2 4.49Å; I306-T352 HydrophobicContact CG1-CG2 4.12Å; I306-T352 HydrophobicContact CG2-CG2 3.58Å; I306-I374 HydrophobicContact CD1-CD1 3.82Å; I306-I374 HydrophobicContact CD1-CG2 3.8Å; I306-L426 HydrophobicContact CG2-CD1 3.47Å; I306-L426 VanDerWaalsContact CG2-CD1 3.47Å
307	Y	97.3	Very high	96	Very high	36 Å²	36	13.6 Å²	13.6	14%	0.141	9%	0.086	C	C	.	.	G	3₁₀ helix	trans	-69.8	-15.4	176.8	-74.4	-88.7	0	0	0	112.9	A305 T309 T352 Q354 A412 F414	A305-Y307 PolarHBondContact O-N 3.25Å; Y307-T309 VanDerWaalsContact C-N 3.26Å; Y307-T309 PolarHBondContact O-N 2.87Å; Y307-T352 HydrophobicContact CD1-CG2 4.26Å; Y307-T352 HydrophobicContact CD2-CG2 4.2Å; Y307-T352 HydrophobicContact CE1-CG2 3.89Å; Y307-T352 HydrophobicContact CE2-CG2 3.8Å; Y307-T352 HydrophobicContact CG-CG2 4.41Å; Y307-Q354 PolarHBondContact O-NE2 2.77Å; Y307-Q354 PolarHBondContact O-OE1 2.94Å; Y307-A412 HydrophobicContact CE1-CB 3.81Å; Y307-A412 HydrophobicContact CE2-CB 4.33Å; Y307-A412 WeakPolarHBondContact OH-CB 3.43Å; Y307-F414 AromaticContact CE2-CD2 3.84Å; Y307-F414 HydrophobicContact CE2-CD2 3.84Å; Y307-F414 HydrophobicContact CE2-CE2 4.11Å
308	G	97.1	Very high	95.7	Very high	0 Å²	0	11 Å²	11	0%	0	7%	0.069	C	C	.	.	G	3₁₀ helix	trans	-84.7	6.8	172.5	0	0	0	0	0	113.6	A305 I306 S310	A305-G308 PolarHBondContact O-N 2.85Å; I306-G308 PolarHBondContact O-N 3.03Å; G308-S310 PolarHBondContact O-N 3.25Å
309	T	98	Very high	95.4	Very high	3 Å²	3	13.3 Å²	13.3	2%	0.018	8%	0.078	C	C	.	.			trans	-60.2	130.5	-177.2	-59.1	0	0	0	0	111.1	I306 Y307 H311 Q354 V356 I374 G375	I306-T309 WeakPolarHBondContact CD1-OG1 3.49Å; I306-T309 WeakPolarHBondContact O-CB 3.29Å; I306-T309 PolarHBondContact O-N 3.28Å; I306-T309 VanDerWaalsContact O-N 3.15Å; I306-T309 PolarHBondContact O-OG1 2.81Å; Y307-T309 VanDerWaalsContact C-N 3.26Å; Y307-T309 PolarHBondContact O-N 2.87Å; T309-H311 WeakPolarHBondContact CG2-O 3.46Å; T309-Q354 PolarHBondContact O-NE2 2.77Å; T309-V356 HydrophobicContact CG2-CB 4.37Å; T309-V356 HydrophobicContact CG2-CG1 3.97Å; T309-V356 HydrophobicContact CG2-CG2 3.91Å; T309-I374 HydrophobicContact CG2-CG2 3.53Å; T309-I374 WeakPolarHBondContact OG1-CG2 3.31Å; T309-G375 WeakPolarHBondContact CA-O 3.44Å
310	S	98.1	Very high	95.2	Very high	1 Å²	1	12.8 Å²	12.8	1%	0.007	8%	0.076	C	C	.	.			trans	-105.9	-29	175.5	73.4	0	0	0	0	113.1	G308 P357 G375 P377	G308-S310 PolarHBondContact O-N 3.25Å; S310-P357 WeakPolarHBondContact O-CD 3.48Å; S310-G375 PolarHBondContact N-O 3.35Å; S310-P377 WeakPolarHBondContact OG-CD 3.48Å; S310-P377 VanDerWaalsContact OG-CG 3.3Å; S310-P377 WeakPolarHBondContact OG-CG 3.47Å
311	H	98.3	Very high	95	Very high	0 Å²	0	12.6 Å²	12.6	0%	0	8%	0.075	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.8	167.3	179.8	60	-77.3	0	0	0	111.8	T309 P357 V359 G375 L386 L392	T309-H311 WeakPolarHBondContact CG2-O 3.46Å; H311-P357 WeakPolarHBondContact CA-O 3.37Å; H311-P357 HydrophobicContact CB-CG 4.41Å; H311-P357 WeakPolarHBondContact CB-O 3.12Å; H311-V359 HydrophobicContact CB-CG2 3.81Å; H311-G375 PolarHBondContact O-N 3.13Å; H311-L386 VanDerWaalsContact NE2-CD2 3.3Å; H311-L386 WeakPolarHBondContact NE2-CD2 3.27Å; H311-L392 HydrophobicContact CB-CD1 3.84Å
312	V	98.1	Very high	94.6	Very high	0 Å²	0	12.6 Å²	12.6	0%	0	7%	0.066	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	119.1	161.2	-177.4	0	0	0	0	108.5	F283 L296 A298 A347 V356 P357 V358 V359 K373	F283-V312 HydrophobicContact CD1-CG2 3.91Å; F283-V312 HydrophobicContact CD2-CG2 4.48Å; F283-V312 HydrophobicContact CE1-CG2 3.55Å; F283-V312 HydrophobicContact CE2-CG2 4.2Å; F283-V312 HydrophobicContact CG-CG2 4.37Å; F283-V312 HydrophobicContact CZ-CG2 3.73Å; L296-V312 HydrophobicContact CD2-CB 4.33Å; L296-V312 HydrophobicContact CD2-CG1 3.5Å; L296-V312 HydrophobicContact CG-CG1 4.33Å; A298-V312 HydrophobicContact CB-CG1 3.65Å; V312-A347 HydrophobicContact CB-CB 4.34Å; V312-A347 HydrophobicContact CG2-CB 3.92Å; V312-V356 HydrophobicContact CG2-CG2 3.93Å; V312-P357 PolarHBondContact N-O 3.22Å; V312-V358 CarbonylContact O-C 3.57Å; V312-V358 VanDerWaalsContact O-CA 3.31Å; V312-V358 WeakPolarHBondContact O-CA 3.33Å; V312-V359 PolarHBondContact O-N 2.77Å; V312-K373 CarbonylContact C-O 3.53Å
313	A	96.8	Very high	93.7	Very high	4 Å²	4	12.5 Å²	12.5	3%	0.033	7%	0.07	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	137.8	179.7	0	0	0	0	0	111.1	V359 L361 S372 K373	A313-V359 CarbonylContact C-O 3.58Å; A313-V359 WeakPolarHBondContact CA-O 3.17Å; A313-L361 HydrophobicContact CB-CD1 3.97Å; A313-L361 HydrophobicContact CB-CD2 3.91Å; A313-L361 HydrophobicContact CB-CG 3.92Å; A313-S372 CarbonylContact O-C 3.51Å; A313-S372 WeakPolarHBondContact O-CA 3.48Å; A313-K373 PolarHBondContact N-O 2.74Å; A313-K373 PolarHBondContact O-N 3.28Å
314	I	95.5	Very high	93.2	Very high	0 Å²	0	20.6 Å²	20.6	0%	0	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	151.2	172	63.9	177.1	0	0	0	110.7	L296 H318 L321 L331 V358 V359 I360 L361	L296-I314 HydrophobicContact CD1-CG2 4.21Å; L296-I314 HydrophobicContact CD2-CG2 3.96Å; I314-H318 HydrophobicContact CB-CB 3.9Å; I314-H318 HydrophobicContact CD1-CB 4.39Å; I314-H318 HydrophobicContact CG1-CB 4.46Å; I314-L321 HydrophobicContact CD1-CD1 3.54Å; I314-L321 HydrophobicContact CG1-CD1 4.24Å; I314-L331 HydrophobicContact CD1-CD1 4.27Å; I314-L331 HydrophobicContact CD1-CD2 4.42Å; I314-V358 HydrophobicContact CD1-CG1 3.76Å; I314-V358 HydrophobicContact CG1-CG1 4.01Å; I314-V358 HydrophobicContact CG2-CG1 4.27Å; I314-V359 PolarHBondContact N-O 2.69Å; I314-I360 HydrophobicContact CD1-CG1 4.23Å; I314-I360 HydrophobicContact CG1-CG1 4.08Å; I314-I360 WeakPolarHBondContact O-CA 3.42Å; I314-L361 PolarHBondContact O-N 3.34Å
315	S	91.9	Very high	92.8	Very high	2 Å²	2	20.5 Å²	20.5	1%	0.014	11%	0.108	C	C	.	.			trans	-74.9	157.9	174	70.9	0	0	0	0	112.1	S317 H318 A364 D371	S315-S317 PolarHBondContact O-N 2.66Å; S315-S317 VanDerWaalsContact O-N 3.15Å; S315-S317 PolarHBondContact OG-N 2.78Å; S315-S317 PolarHBondContact OG-OG 3.29Å; S315-H318 WeakPolarHBondContact O-CB 3.47Å; S315-H318 PolarHBondContact O-N 3.12Å; S315-H318 PolarHBondContact OG-N 2.91Å; S315-A364 WeakPolarHBondContact CB-O 3.49Å; S315-D371 PolarHBondContact N-O 3.37Å
316	P	90.5	Very high	92.5	Very high	34 Å²	34	24 Å²	24	22%	0.221	13%	0.132	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.3	-21.1	170.2	-25.5	34.9	0	0	0	114.1	H322 I360 L361 K363	P316-H322 PolarHBondContact O-NE2 2.85Å; P316-I360 HydrophobicContact CG-CG2 4.13Å; P316-L361 VanDerWaalsContact CG-O 3.3Å; P316-L361 WeakPolarHBondContact CG-O 3.44Å; P316-K363 WeakPolarHBondContact CD-O 3.37Å
317	S	87.4	Confident	92.3	Very high	44 Å²	44	24.1 Å²	24.1	31%	0.308	13%	0.133	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.6	-0	175.4	56.5	0	0	0	0	113.4	Y237 S315	Y237-S317 PolarHBondContact OH-O 2.94Å; S315-S317 PolarHBondContact O-N 2.66Å; S315-S317 VanDerWaalsContact O-N 3.15Å; S315-S317 PolarHBondContact OG-N 2.78Å; S315-S317 PolarHBondContact OG-OG 3.29Å
318	H	89.9	Confident	92.1	Very high	5 Å²	5	25 Å²	25	2%	0.023	14%	0.138	C	C	.	.	S	Bend	trans	-65.3	139.5	-178.2	-173.7	-92.4	0	0	0	111.6	L296 I314 S315 L320 L321 H322 D371	L296-H318 VanDerWaalsContact CD1-CE1 3.48Å; L296-H318 WeakPolarHBondContact CD1-CE1 3.5Å; L296-H318 WeakPolarHBondContact CD1-NE2 3.35Å; I314-H318 HydrophobicContact CB-CB 3.9Å; I314-H318 HydrophobicContact CD1-CB 4.39Å; I314-H318 HydrophobicContact CG1-CB 4.46Å; S315-H318 WeakPolarHBondContact O-CB 3.47Å; S315-H318 PolarHBondContact O-N 3.12Å; S315-H318 PolarHBondContact OG-N 2.91Å; H318-L320 VanDerWaalsContact CE1-CD1 3.49Å; H318-L320 WeakPolarHBondContact CE1-CD1 3.48Å; H318-L320 VanDerWaalsContact CE1-CG 3.43Å; H318-L320 WeakPolarHBondContact CE1-CG 3.27Å; H318-L320 WeakPolarHBondContact ND1-CG 3.27Å; H318-L320 PolarHBondContact ND1-N 2.94Å; H318-L320 PolarHBondContact O-N 3.42Å; H318-L321 HydrophobicContact CB-CD1 3.99Å; H318-L321 WeakPolarHBondContact O-CD1 3.3Å; H318-L321 PolarHBondContact O-N 3.44Å; H318-H322 PolarHBondContact O-CD2 3.06Å; H318-H322 VanDerWaalsContact O-CD2 3.28Å; H318-D371 PolarHBondContact CD2-O 3.17Å; H318-D371 IonicContact CD2-OD2 3.63Å; H318-D371 IonicContact NE2-OD2 3.77Å
319	R	90	Very high	91.9	Very high	49 Å²	49	30.8 Å²	30.8	19%	0.185	17%	0.165	C	C	.	.	G	3₁₀ helix	trans	-50.2	-29.9	-173.8	70.8	170	-170.7	78.2	4.3	114.4	E202 Y237 E294 K295 L321 H322	E202-R319 WeakPolarHBondContact O-CD 3.3Å; Y237-R319 HydrophobicContact CD1-CB 4.48Å; Y237-R319 HydrophobicContact CE1-CB 4.39Å; E294-R319 IonicContact OE2-CZ 2.81Å; E294-R319 IonicContact OE2-NH1 3.81Å; E294-R319 PolarHBondContact OE2-NH1 3.07Å; E294-R319 IonicContact OE2-NH2 3.74Å; K295-R319 PolarHBondContact O-NH2 3.02Å; R319-L321 PolarHBondContact O-N 3.4Å; R319-H322 CarbonylContact O-C 3.55Å; R319-H322 PolarHBondContact O-N 2.93Å
320	L	92.1	Very high	91.6	Very high	1 Å²	1	32 Å²	32	1%	0.005	17%	0.174	C	C	.	.	G	3₁₀ helix	trans	-65.7	-24.7	-177.1	-68.2	174.2	0	0	0	113.1	L285 E294 L296 H318 H322 S325 L327 K328 L331	L285-L320 HydrophobicContact CD1-CD1 3.64Å; L285-L320 HydrophobicContact CD1-CD2 4.18Å; E294-L320 WeakPolarHBondContact OE2-CD2 3.38Å; L296-L320 HydrophobicContact CD1-CD1 4.17Å; H318-L320 VanDerWaalsContact CE1-CD1 3.49Å; H318-L320 WeakPolarHBondContact CE1-CD1 3.48Å; H318-L320 VanDerWaalsContact CE1-CG 3.43Å; H318-L320 WeakPolarHBondContact CE1-CG 3.27Å; H318-L320 WeakPolarHBondContact ND1-CG 3.27Å; H318-L320 PolarHBondContact ND1-N 2.94Å; H318-L320 PolarHBondContact O-N 3.42Å; L320-H322 VanDerWaalsContact C-N 3.31Å; L320-S325 WeakPolarHBondContact CA-OG 3.36Å; L320-S325 VanDerWaalsContact O-CB 3.27Å; L320-S325 WeakPolarHBondContact O-CB 3.44Å; L320-S325 PolarHBondContact O-OG 3.45Å; L320-L327 HydrophobicContact CD2-CD1 4.18Å; L320-K328 WeakPolarHBondContact O-CA 3.43Å; L320-K328 PolarHBondContact O-N 3.37Å; L320-L331 HydrophobicContact CB-CD1 3.49Å; L320-L331 VanDerWaalsContact CB-CD1 3.49Å
321	L	91.6	Very high	91.5	Very high	1 Å²	1	31.9 Å²	31.9	1%	0.005	17%	0.174	C	C	.	.	G	3₁₀ helix	trans	-85.5	-5.3	174	-66	91.7	0	0	0	112.9	I314 H318 R319 L331 R332 L335 I360	I314-L321 HydrophobicContact CD1-CD1 3.54Å; I314-L321 HydrophobicContact CG1-CD1 4.24Å; H318-L321 HydrophobicContact CB-CD1 3.99Å; H318-L321 WeakPolarHBondContact O-CD1 3.3Å; H318-L321 PolarHBondContact O-N 3.44Å; R319-L321 PolarHBondContact O-N 3.4Å; L321-L331 HydrophobicContact CD1-CD1 4.43Å; L321-L331 HydrophobicContact CD2-CB 4.48Å; L321-L331 HydrophobicContact CG-CB 3.96Å; L321-L331 HydrophobicContact CG-CD1 4.34Å; L321-R332 WeakPolarHBondContact O-CD 3.19Å; L321-L335 HydrophobicContact CD2-CD2 3.99Å; L321-I360 HydrophobicContact CD2-CD1 3.83Å; L321-I360 HydrophobicContact CD2-CG1 4.27Å; L321-I360 HydrophobicContact CD2-CG2 4.31Å
322	H	88.1	Confident	91.2	Very high	50 Å²	50	38.7 Å²	38.7	23%	0.231	20%	0.2	C	C	.	.	S	Bend	trans	-134.4	-169.3	-168.9	-59.3	-73.1	0	0	0	110.8	Y237 P316 H318 R319 L320 H324 S325	Y237-H322 HydrophobicContact CD1-CB 4.23Å; Y237-H322 HydrophobicContact CD2-CB 3.81Å; Y237-H322 HydrophobicContact CE1-CB 3.87Å; Y237-H322 HydrophobicContact CE2-CB 3.4Å; Y237-H322 AromaticContact CE2-CG 3.54Å; Y237-H322 HydrophobicContact CG-CB 4.21Å; Y237-H322 VanDerWaalsContact CZ-CB 3.44Å; Y237-H322 AromaticContact CZ-CD2 3.53Å; Y237-H322 AromaticContact CZ-CG 3.48Å; Y237-H322 VanDerWaalsContact CZ-CG 3.48Å; Y237-H322 PolarHBondContact OH-CD2 3.37Å; P316-H322 PolarHBondContact O-NE2 2.85Å; H318-H322 PolarHBondContact O-CD2 3.06Å; H318-H322 VanDerWaalsContact O-CD2 3.28Å; R319-H322 CarbonylContact O-C 3.55Å; R319-H322 PolarHBondContact O-N 2.93Å; L320-H322 VanDerWaalsContact C-N 3.31Å; H322-H324 PolarHBondContact O-N 3.43Å; H322-S325 PolarHBondContact O-N 2.8Å
323	G	78.3	Confident	91	Very high	22 Å²	22	46.9 Å²	46.9	23%	0.227	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	54.1	-134.2	172.2	0	0	0	0	0	113.5	E202 K328	E202-G323 WeakPolarHBondContact OE2-CA 3.32Å; G323-K328 PolarHBondContact O-NZ 3.45Å
324	H	85.6	Confident	90.8	Very high	171 Å²	171	47.8 Å²	47.8	79%	0.792	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	-107.7	17.8	-175.9	-55.4	89.9	0	0	0	113.3	E202 H322	E202-H324 IonicContact OE1-CE1 2.76Å; E202-H324 IonicContact OE1-CG 2.87Å; E202-H324 IonicContact OE1-ND1 3.17Å; E202-H324 PolarHBondContact OE1-ND1 3.3Å; E202-H324 PolarHBondContact OE2-N 3.06Å; E202-H324 VanDerWaalsContact OE2-N 3.1Å; H322-H324 PolarHBondContact O-N 3.43Å
325	S	89.3	Confident	90.7	Very high	8 Å²	8	50.1 Å²	50.1	6%	0.056	26%	0.259	C	S	.	.			trans	-59.4	135	176.5	170	0	0	0	0	111.3	E294 L320 H322 L327 K328	E294-S325 PolarHBondContact OE1-OG 2.83Å; L320-S325 WeakPolarHBondContact CA-OG 3.36Å; L320-S325 VanDerWaalsContact O-CB 3.27Å; L320-S325 WeakPolarHBondContact O-CB 3.44Å; L320-S325 PolarHBondContact O-OG 3.45Å; H322-S325 PolarHBondContact O-N 2.8Å; S325-L327 PolarHBondContact O-N 3.28Å; S325-L327 PolarHBondContact OG-N 2.84Å; S325-L327 VanDerWaalsContact OG-N 3.08Å; S325-K328 VanDerWaalsContact O-CB 3.3Å; S325-K328 WeakPolarHBondContact O-CB 3.32Å; S325-K328 PolarHBondContact O-N 2.98Å
326	S	90.9	Very high	90.8	Very high	73 Å²	73	53.5 Å²	53.5	51%	0.51	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70	-14.2	171.7	63.3	0	0	0	0	112.9	E294	E294-S326 PolarHBondContact OE1-N 3.39Å; E294-S326 PolarHBondContact OE1-OG 3.18Å
327	L	93.3	Very high	90.8	Very high	3 Å²	3	57.4 Å²	57.4	2%	0.016	31%	0.305	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96.6	-2.4	-178.8	-56.4	177.8	0	0	0	113.2	L285 V287 T292 L320 S325 E329 A330 L331 V345	L285-L327 HydrophobicContact CB-CD1 3.94Å; L285-L327 HydrophobicContact CD1-CD1 3.3Å; L285-L327 HydrophobicContact CG-CD1 4.24Å; V287-L327 HydrophobicContact CG2-CD2 3.39Å; T292-L327 HydrophobicContact CG2-CD2 3.54Å; L320-L327 HydrophobicContact CD2-CD1 4.18Å; S325-L327 PolarHBondContact O-N 3.28Å; S325-L327 PolarHBondContact OG-N 2.84Å; S325-L327 VanDerWaalsContact OG-N 3.08Å; L327-E329 PolarHBondContact O-N 3.29Å; L327-A330 PolarHBondContact O-N 3.04Å; L327-L331 HydrophobicContact CB-CD1 3.85Å; L327-L331 HydrophobicContact CB-CG 4.27Å; L327-L331 WeakPolarHBondContact O-CB 3.41Å; L327-L331 WeakPolarHBondContact O-CG 3.31Å; L327-L331 PolarHBondContact O-N 3.13Å; L327-V345 HydrophobicContact CD1-CG1 4.03Å; L327-V345 HydrophobicContact CD2-CG2 4.42Å
328	K	93.2	Very high	90.9	Very high	55 Å²	55	58.2 Å²	58.2	24%	0.239	32%	0.321	C	S	.	.	H	α-helix	trans	-55.7	-50.6	-172.4	178.2	177.3	-176.6	177.1	0	112.3	L320 G323 S325 R332	L320-K328 WeakPolarHBondContact O-CA 3.43Å; L320-K328 PolarHBondContact O-N 3.37Å; G323-K328 PolarHBondContact O-NZ 3.45Å; S325-K328 VanDerWaalsContact O-CB 3.3Å; S325-K328 WeakPolarHBondContact O-CB 3.32Å; S325-K328 PolarHBondContact O-N 2.98Å; K328-R332 VanDerWaalsContact O-CB 3.27Å; K328-R332 WeakPolarHBondContact O-CB 3.5Å; K328-R332 WeakPolarHBondContact O-CG 3.5Å; K328-R332 PolarHBondContact O-N 2.9Å
329	E	92.6	Very high	91	Very high	121 Å²	121	64.5 Å²	64.5	57%	0.565	35%	0.348	S	S	*	.	H	α-helix	trans	-63.6	-48.3	-179.2	-69.2	70	-153.6	0	0	110.9	L327 L331 R332 M333	L327-E329 PolarHBondContact O-N 3.29Å; E329-L331 PolarHBondContact O-N 3.47Å; E329-R332 PolarHBondContact O-N 3.38Å; E329-M333 WeakPolarHBondContact O-CB 3.3Å; E329-M333 VanDerWaalsContact O-CG 3.31Å; E329-M333 WeakPolarHBondContact O-CG 3.48Å; E329-M333 PolarHBondContact O-N 3.18Å
330	A	92.6	Very high	91.3	Very high	27 Å²	27	65.1 Å²	65.1	22%	0.223	36%	0.355	C	S	.	.	H	α-helix	trans	-60.7	-42.5	-179.1	0	0	0	0	0	112.5	L327 P344	L327-A330 PolarHBondContact O-N 3.04Å; A330-P344 HydrophobicContact CB-CG 4.2Å
331	L	94.4	Very high	91.5	Very high	0 Å²	0	65.5 Å²	65.5	0%	0	36%	0.358	C	S	.	.	H	α-helix	trans	-74	-40.4	178.8	-68.3	170.4	0	0	0	112.2	I314 L320 L321 L327 E329 M333 A334 L335 T343 V345 I360	I314-L331 HydrophobicContact CD1-CD1 4.27Å; I314-L331 HydrophobicContact CD1-CD2 4.42Å; L320-L331 HydrophobicContact CB-CD1 3.49Å; L320-L331 VanDerWaalsContact CB-CD1 3.49Å; L321-L331 HydrophobicContact CD1-CD1 4.43Å; L321-L331 HydrophobicContact CD2-CB 4.48Å; L321-L331 HydrophobicContact CG-CB 3.96Å; L321-L331 HydrophobicContact CG-CD1 4.34Å; L327-L331 HydrophobicContact CB-CD1 3.85Å; L327-L331 HydrophobicContact CB-CG 4.27Å; L327-L331 WeakPolarHBondContact O-CB 3.41Å; L327-L331 WeakPolarHBondContact O-CG 3.31Å; L327-L331 PolarHBondContact O-N 3.13Å; E329-L331 PolarHBondContact O-N 3.47Å; L331-M333 VanDerWaalsContact C-N 3.34Å; L331-M333 PolarHBondContact O-N 3.37Å; L331-A334 PolarHBondContact O-N 2.91Å; L331-L335 PolarHBondContact O-N 3.37Å; L331-T343 HydrophobicContact CD2-CG2 3.7Å; L331-V345 HydrophobicContact CD2-CB 4.2Å; L331-V345 HydrophobicContact CD2-CG2 3.56Å; L331-V345 HydrophobicContact CG-CG2 3.91Å; L331-I360 HydrophobicContact CB-CD1 4.3Å; L331-I360 HydrophobicContact CD2-CD1 4.31Å; L331-I360 WeakPolarHBondContact O-CD1 3.48Å
332	R	93.2	Very high	91.7	Very high	143 Å²	143	69.4 Å²	69.4	54%	0.54	38%	0.378	S	S	.	.	H	α-helix	trans	-69.3	-31.2	179.3	-72.3	-177.4	81.7	173.2	9.1	113	L321 K328 E329 A334 L335	L321-R332 WeakPolarHBondContact O-CD 3.19Å; K328-R332 VanDerWaalsContact O-CB 3.27Å; K328-R332 WeakPolarHBondContact O-CB 3.5Å; K328-R332 WeakPolarHBondContact O-CG 3.5Å; K328-R332 PolarHBondContact O-N 2.9Å; E329-R332 PolarHBondContact O-N 3.38Å; R332-A334 VanDerWaalsContact C-N 3.28Å; R332-L335 PolarHBondContact O-N 2.88Å
333	M	92.9	Very high	92.1	Very high	171 Å²	171	67.4 Å²	67.4	84%	0.842	37%	0.37	S	S	*	.	H	α-helix	trans	-66.6	-32.1	172.9	-76.1	-176.2	68	0	0	112.4	E329 L331	E329-M333 WeakPolarHBondContact O-CB 3.3Å; E329-M333 VanDerWaalsContact O-CG 3.31Å; E329-M333 WeakPolarHBondContact O-CG 3.48Å; E329-M333 PolarHBondContact O-N 3.18Å; L331-M333 VanDerWaalsContact C-N 3.34Å; L331-M333 PolarHBondContact O-N 3.37Å
334	A	93.3	Very high	92.8	Very high	23 Å²	23	68.9 Å²	68.9	19%	0.19	38%	0.375	C	S	.	.	H	α-helix	trans	-80.2	-24.7	176.8	0	0	0	0	0	113	L331 R332 V336 C341 T343	L331-A334 PolarHBondContact O-N 2.91Å; R332-A334 VanDerWaalsContact C-N 3.28Å; A334-V336 PolarHBondContact O-N 3.48Å; A334-C341 WeakPolarHBondContact O-CB 3.48Å; A334-C341 PolarHBondContact O-SG 2.7Å; A334-T343 HydrophobicContact CB-CG2 4.1Å
335	L	93.9	Very high	93.4	Very high	49 Å²	49	60.8 Å²	60.8	26%	0.257	34%	0.338	S	S	.	.			trans	-67.2	118.1	-176.3	176.8	61	0	0	0	112.5	L321 L331 R332 I360	L321-L335 HydrophobicContact CD2-CD2 3.99Å; L331-L335 PolarHBondContact O-N 3.37Å; R332-L335 PolarHBondContact O-N 2.88Å; L335-I360 HydrophobicContact CB-CD1 4.19Å; L335-I360 HydrophobicContact CD1-CG2 3.78Å
336	V	93.4	Very high	93.8	Very high	74 Å²	74	63 Å²	63	45%	0.448	35%	0.348	S	S	.	.			trans	-112.1	111.3	166.1	-177	0	0	0	0	108.4	A334 G338 K339 C341	A334-V336 PolarHBondContact O-N 3.48Å; V336-G338 PolarHBondContact O-N 2.91Å; V336-K339 HydrophobicContact CB-CB 4.34Å; V336-K339 HydrophobicContact CG1-CB 4.37Å; V336-K339 HydrophobicContact CG1-CD 4.05Å; V336-K339 HydrophobicContact CG1-CG 4.32Å; V336-K339 PolarHBondContact O-N 3.24Å; V336-K339 VanDerWaalsContact O-N 3.09Å; V336-C341 PolarHBondContact N-SG 2.94Å
337	P	89.9	Confident	94.1	Very high	115 Å²	115	59.5 Å²	59.5	75%	0.747	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.3	131.2	-176.9	-28.4	35.4	0	0	0	113	K339	P337-K339 VanDerWaalsContact C-N 3.32Å; P337-K339 PolarHBondContact O-N 2.83Å
338	G	90.1	Very high	94.4	Very high	62 Å²	62	59.8 Å²	59.8	64%	0.639	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	76.5	11.3	179.8	0	0	0	0	0	115.2	V336	V336-G338 PolarHBondContact O-N 2.91Å
339	K	92.9	Very high	94.6	Very high	136 Å²	136	57.3 Å²	57.3	59%	0.591	32%	0.315	S	S	*	.	S	Bend	trans	-130	147.6	173.6	-65.4	-170	178.8	-176.2	0	111.4	V336 P337 C341	V336-K339 HydrophobicContact CB-CB 4.34Å; V336-K339 HydrophobicContact CG1-CB 4.37Å; V336-K339 HydrophobicContact CG1-CD 4.05Å; V336-K339 HydrophobicContact CG1-CG 4.32Å; V336-K339 PolarHBondContact O-N 3.24Å; V336-K339 VanDerWaalsContact O-N 3.09Å; P337-K339 VanDerWaalsContact C-N 3.32Å; P337-K339 PolarHBondContact O-N 2.83Å; K339-C341 PolarHBondContact O-SG 3.27Å
340	D	95.4	Very high	94.8	Very high	63 Å²	63	53.9 Å²	53.9	34%	0.337	30%	0.299	S	S	.	.			trans	-70.8	130.8	169.8	-57.4	-49.1	0	0	0	109.2	I360 L361 A362 L386 L390	D340-I360 CarbonylContact C-O 3.6Å; D340-I360 WeakPolarHBondContact CA-O 3.21Å; D340-L361 WeakPolarHBondContact OD1-CA 3.29Å; D340-A362 WeakPolarHBondContact OD1-CB 3.33Å; D340-A362 PolarHBondContact OD1-N 2.94Å; D340-L386 HydrophobicContact CB-CD1 3.59Å; D340-L390 HydrophobicContact CB-CD1 4.4Å
341	C	95.8	Very high	95	Very high	8 Å²	8	52.9 Å²	52.9	5%	0.054	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	117.9	-169.4	-61.8	0	0	0	0	110.7	A334 V336 K339 V359 I360	A334-C341 WeakPolarHBondContact O-CB 3.48Å; A334-C341 PolarHBondContact O-SG 2.7Å; V336-C341 PolarHBondContact N-SG 2.94Å; K339-C341 PolarHBondContact O-SG 3.27Å; C341-V359 WeakPolarHBondContact O-CA 3.22Å; C341-I360 HydrophobicContact CB-CB 4.33Å; C341-I360 PolarHBondContact N-O 2.89Å; C341-I360 PolarHBondContact O-N 3.13Å
342	L	96.3	Very high	95.1	Very high	83 Å²	83	53.9 Å²	53.9	44%	0.435	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69	135.4	166.4	-175.9	60.1	0	0	0	109.7	P357 V359 L392	L342-P357 HydrophobicContact CD1-CB 3.52Å; L342-P357 HydrophobicContact CD1-CG 3.97Å; L342-V359 HydrophobicContact CD1-CG2 4.26Å; L342-L392 HydrophobicContact CD1-CD2 3.92Å; L342-L392 HydrophobicContact CD2-CD2 4.4Å
343	T	95.9	Very high	95.2	Very high	9 Å²	9	53.3 Å²	53.3	6%	0.055	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	159.3	-176.8	80.8	0	0	0	0	111.6	L331 A334 V345 V358 I360	L331-T343 HydrophobicContact CD2-CG2 3.7Å; A334-T343 HydrophobicContact CB-CG2 4.1Å; T343-V345 PolarHBondContact O-N 2.87Å; T343-V345 PolarHBondContact OG1-N 3.42Å; T343-V345 PolarHBondContact OG1-O 3.01Å; T343-V358 WeakPolarHBondContact CB-O 3.44Å; T343-V358 VanDerWaalsContact CG2-O 3.32Å; T343-V358 WeakPolarHBondContact CG2-O 3.39Å; T343-V358 PolarHBondContact N-O 3.31Å; T343-V358 PolarHBondContact OG1-O 3.39Å; T343-I360 HydrophobicContact CG2-CD1 3.61Å; T343-I360 HydrophobicContact CG2-CG1 3.7Å
344	P	94.3	Very high	95.3	Very high	53 Å²	53	47.7 Å²	47.7	34%	0.344	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.9	2.1	171.9	32.4	-37.4	0	0	0	113.4	A330	A330-P344 HydrophobicContact CB-CG 4.2Å
345	V	97.3	Very high	95.5	Very high	1 Å²	1	50.4 Å²	50.4	1%	0.006	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91	128.5	-179.2	-173.9	0	0	0	0	109.3	L285 K286 V287 L327 L331 T343 V358	L285-V345 HydrophobicContact CB-CG1 4.35Å; L285-V345 HydrophobicContact CD2-CG1 4.41Å; K286-V345 WeakPolarHBondContact O-CA 3.17Å; V287-V345 HydrophobicContact CG2-CB 4.46Å; V287-V345 HydrophobicContact CG2-CG1 4.43Å; V287-V345 HydrophobicContact CG2-CG2 3.96Å; L327-V345 HydrophobicContact CD1-CG1 4.03Å; L327-V345 HydrophobicContact CD2-CG2 4.42Å; L331-V345 HydrophobicContact CD2-CB 4.2Å; L331-V345 HydrophobicContact CD2-CG2 3.56Å; L331-V345 HydrophobicContact CG-CG2 3.91Å; T343-V345 PolarHBondContact O-N 2.87Å; T343-V345 PolarHBondContact OG1-N 3.42Å; T343-V345 PolarHBondContact OG1-O 3.01Å; V345-V358 HydrophobicContact CB-CB 4.18Å; V345-V358 HydrophobicContact CB-CG2 4.26Å; V345-V358 HydrophobicContact CG1-CB 4.36Å; V345-V358 HydrophobicContact CG1-CG2 3.92Å; V345-V358 PolarHBondContact O-N 2.91Å
346	M	97.9	Very high	95.7	Very high	53 Å²	53	48.3 Å²	48.3	26%	0.261	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	140	173.7	-56.5	-61.2	-69.7	0	0	110	L285 K286 E355 V356 P357	L285-M346 CarbonylContact C-O 3.55Å; L285-M346 WeakPolarHBondContact CA-O 3.38Å; K286-M346 HydrophobicContact CB-CB 4.37Å; K286-M346 PolarHBondContact N-O 3.36Å; K286-M346 PolarHBondContact O-N 3.47Å; M346-E355 HydrophobicContact CB-CG 3.85Å; M346-E355 VanDerWaalsContact CB-OE1 3.31Å; M346-E355 WeakPolarHBondContact CB-OE1 2.74Å; M346-E355 HydrophobicContact CE-CG 3.87Å; M346-E355 HydrophobicContact CG-CG 4.44Å; M346-V356 CarbonylContact C-O 3.47Å; M346-P357 HydrophobicContact CE-CB 4.39Å; M346-P357 HydrophobicContact SD-CB 3.98Å
347	A	98.1	Very high	95.9	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	126	173.1	0	0	0	0	0	109.6	F283 L285 V312 E355 V356 V358	F283-A347 HydrophobicContact CB-CB 4.05Å; F283-A347 HydrophobicContact CD1-CB 3.79Å; F283-A347 HydrophobicContact CG-CB 4.19Å; L285-A347 HydrophobicContact CD2-CB 3.92Å; V312-A347 HydrophobicContact CB-CB 4.34Å; V312-A347 HydrophobicContact CG2-CB 3.92Å; A347-E355 WeakPolarHBondContact O-CA 3.3Å; A347-V356 HydrophobicContact CB-CG2 4.41Å; A347-V356 PolarHBondContact N-O 3.31Å; A347-V356 PolarHBondContact O-N 2.94Å; A347-V358 HydrophobicContact CB-CG2 3.83Å
348	V	98.2	Very high	96.3	Very high	10 Å²	10	40.3 Å²	40.3	6%	0.061	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	114.3	175.1	-176.4	0	0	0	0	108.5	F283 T284 K286 M350 Q354 E355	F283-V348 CarbonylContact C-O 3.46Å; F283-V348 WeakPolarHBondContact CA-O 3.49Å; T284-V348 PolarHBondContact N-O 2.73Å; T284-V348 PolarHBondContact O-N 3.43Å; K286-V348 HydrophobicContact CD-CG2 3.93Å; K286-V348 HydrophobicContact CG-CG2 4.34Å; V348-M350 PolarHBondContact O-N 3.02Å; V348-Q354 WeakPolarHBondContact CA-O 3.29Å; V348-E355 HydrophobicContact CG2-CB 4.1Å; V348-E355 HydrophobicContact CG2-CG 3.89Å
349	N	97.6	Very high	96.6	Very high	3 Å²	3	37.3 Å²	37.3	2%	0.016	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.1	122.5	179.8	-175.7	-57.4	0	0	0	110.1	F283 I306 L351 T352 Q353 Q354	F283-N349 VanDerWaalsContact CD1-CA 3.41Å; F283-N349 HydrophobicContact CD1-CB 3.81Å; F283-N349 HydrophobicContact CE1-CB 3.52Å; F283-N349 HydrophobicContact CZ-CB 4.23Å; F283-N349 WeakPolarHBondContact CZ-ND2 3.22Å; I306-N349 WeakPolarHBondContact CG1-ND2 3.44Å; N349-L351 PolarHBondContact O-N 2.82Å; N349-L351 WeakPolarHBondContact OD1-CA 3.42Å; N349-L351 VanDerWaalsContact OD1-CB 3.23Å; N349-L351 WeakPolarHBondContact OD1-CB 3.12Å; N349-L351 PolarHBondContact OD1-N 2.73Å; N349-T352 WeakPolarHBondContact CB-OG1 3.49Å; N349-T352 PolarHBondContact OD1-N 3.28Å; N349-Q353 WeakPolarHBondContact O-CA 3.05Å; N349-Q353 PolarHBondContact O-N 3.35Å; N349-Q354 PolarHBondContact N-O 2.9Å
350	M	97.5	Very high	96.8	Very high	48 Å²	48	30.9 Å²	30.9	24%	0.236	16%	0.16	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.4	-16.7	-175.2	-62.1	-170.8	77.1	0	0	113.2	D282 T284 K295 V348 Q353 V435	D282-M350 HydrophobicContact CB-CG 4.36Å; D282-M350 HydrophobicContact CB-SD 3.88Å; D282-M350 WeakPolarHBondContact O-CB 3.43Å; D282-M350 WeakPolarHBondContact O-CG 3.33Å; D282-M350 PolarHBondContact O-N 3.45Å; T284-M350 HydrophobicContact CG2-CE 3.94Å; T284-M350 HydrophobicContact CG2-CG 4.05Å; T284-M350 HydrophobicContact CG2-SD 3.84Å; K295-M350 HydrophobicContact CD-SD 4.35Å; V348-M350 PolarHBondContact O-N 3.02Å; M350-Q353 PolarHBondContact O-NE2 3.49Å; M350-V435 HydrophobicContact CB-CB 4.02Å; M350-V435 HydrophobicContact CB-CG1 3.59Å; M350-V435 HydrophobicContact SD-CG1 4.49Å
351	L	96.8	Very high	96.8	Very high	6 Å²	6	29 Å²	29	3%	0.031	15%	0.15	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.6	-54.9	174.2	-179.1	62.6	0	0	0	111.9	L281 N349 L426 K429 A430 K433 V435	L281-L351 HydrophobicContact CD2-CD2 4.31Å; N349-L351 PolarHBondContact O-N 2.82Å; N349-L351 WeakPolarHBondContact OD1-CA 3.42Å; N349-L351 VanDerWaalsContact OD1-CB 3.23Å; N349-L351 WeakPolarHBondContact OD1-CB 3.12Å; N349-L351 PolarHBondContact OD1-N 2.73Å; L351-L426 HydrophobicContact CD2-CD1 4.4Å; L351-L426 HydrophobicContact CD2-CD2 3.74Å; L351-L426 HydrophobicContact CD2-CG 3.88Å; L351-K429 HydrophobicContact CD1-CD 4.31Å; L351-K429 HydrophobicContact CD1-CG 4.03Å; L351-A430 HydrophobicContact CD1-CB 4.42Å; L351-A430 HydrophobicContact CD2-CB 4.05Å; L351-K433 HydrophobicContact CD1-CD 3.92Å; L351-K433 PolarHBondContact O-NZ 3.37Å; L351-V435 HydrophobicContact CB-CG2 4.04Å; L351-V435 HydrophobicContact CD1-CG2 4.34Å
352	T	96.1	Very high	96.5	Very high	21 Å²	21	30.3 Å²	30.3	13%	0.129	16%	0.161	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.3	-17.2	-171.4	67.3	0	0	0	0	114.3	I306 Y307 N349 Q354	I306-T352 HydrophobicContact CB-CG2 4.49Å; I306-T352 HydrophobicContact CG1-CG2 4.12Å; I306-T352 HydrophobicContact CG2-CG2 3.58Å; Y307-T352 HydrophobicContact CD1-CG2 4.26Å; Y307-T352 HydrophobicContact CD2-CG2 4.2Å; Y307-T352 HydrophobicContact CE1-CG2 3.89Å; Y307-T352 HydrophobicContact CE2-CG2 3.8Å; Y307-T352 HydrophobicContact CG-CG2 4.41Å; N349-T352 WeakPolarHBondContact CB-OG1 3.49Å; N349-T352 PolarHBondContact OD1-N 3.28Å; T352-Q354 PolarHBondContact O-N 2.8Å; T352-Q354 WeakPolarHBondContact OG1-CB 3.29Å; T352-Q354 PolarHBondContact OG1-N 2.79Å
353	Q	95.7	Very high	95.9	Very high	132 Å²	132	32.5 Å²	32.5	62%	0.617	17%	0.168	S	C	*	.			trans	64	9	-170.6	-52.8	-62	-62.6	0	0	114.6	N349 M350	N349-Q353 WeakPolarHBondContact O-CA 3.05Å; N349-Q353 PolarHBondContact O-N 3.35Å; M350-Q353 PolarHBondContact O-NE2 3.49Å
354	Q	95.8	Very high	94.9	Very high	52 Å²	52	34.9 Å²	34.9	24%	0.243	19%	0.188	C	C	.	.			trans	-70.3	133.8	175.1	-170.6	175.9	-10.4	0	0	110.5	Y307 T309 V348 N349 T352 V356	Y307-Q354 PolarHBondContact O-NE2 2.77Å; Y307-Q354 PolarHBondContact O-OE1 2.94Å; T309-Q354 PolarHBondContact O-NE2 2.77Å; V348-Q354 WeakPolarHBondContact CA-O 3.29Å; N349-Q354 PolarHBondContact N-O 2.9Å; T352-Q354 PolarHBondContact O-N 2.8Å; T352-Q354 WeakPolarHBondContact OG1-CB 3.29Å; T352-Q354 PolarHBondContact OG1-N 2.79Å; Q354-V356 HydrophobicContact CG-CG1 4.11Å
355	E	97	Very high	94.1	Very high	80 Å²	80	37.5 Å²	37.5	37%	0.374	20%	0.199	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	123.7	178.1	-174.5	163.2	166.3	0	0	109.8	K286 M346 A347 V348	K286-E355 IonicContact NZ-OE2 2.77Å; K286-E355 PolarHBondContact NZ-OE2 3.16Å; M346-E355 HydrophobicContact CB-CG 3.85Å; M346-E355 VanDerWaalsContact CB-OE1 3.31Å; M346-E355 WeakPolarHBondContact CB-OE1 2.74Å; M346-E355 HydrophobicContact CE-CG 3.87Å; M346-E355 HydrophobicContact CG-CG 4.44Å; A347-E355 WeakPolarHBondContact O-CA 3.3Å; V348-E355 HydrophobicContact CG2-CB 4.1Å; V348-E355 HydrophobicContact CG2-CG 3.89Å
356	V	97.8	Very high	93.4	Very high	5 Å²	5	38.4 Å²	38.4	3%	0.03	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	150.7	-177.2	-62.9	0	0	0	0	110.2	T309 V312 M346 A347 Q354	T309-V356 HydrophobicContact CG2-CB 4.37Å; T309-V356 HydrophobicContact CG2-CG1 3.97Å; T309-V356 HydrophobicContact CG2-CG2 3.91Å; V312-V356 HydrophobicContact CG2-CG2 3.93Å; M346-V356 CarbonylContact C-O 3.47Å; A347-V356 HydrophobicContact CB-CG2 4.41Å; A347-V356 PolarHBondContact N-O 3.31Å; A347-V356 PolarHBondContact O-N 2.94Å; Q354-V356 HydrophobicContact CG-CG1 4.11Å
357	P	97.8	Very high	92.6	Very high	21 Å²	21	40.1 Å²	40.1	14%	0.136	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.1	148.6	178.3	26.3	-33.5	0	0	0	112.5	S310 H311 V312 L342 M346 L392	S310-P357 WeakPolarHBondContact O-CD 3.48Å; H311-P357 WeakPolarHBondContact CA-O 3.37Å; H311-P357 HydrophobicContact CB-CG 4.41Å; H311-P357 WeakPolarHBondContact CB-O 3.12Å; V312-P357 PolarHBondContact N-O 3.22Å; L342-P357 HydrophobicContact CD1-CB 3.52Å; L342-P357 HydrophobicContact CD1-CG 3.97Å; M346-P357 HydrophobicContact CE-CB 4.39Å; M346-P357 HydrophobicContact SD-CB 3.98Å; P357-L392 HydrophobicContact CG-CD1 4.25Å; P357-L392 HydrophobicContact CG-CD2 3.89Å
358	V	98	Very high	91.8	Very high	0 Å²	0	43 Å²	43	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	131.5	163.6	179.5	0	0	0	0	108.5	L285 L296 V312 I314 T343 V345 A347	L285-V358 HydrophobicContact CD2-CG2 4.18Å; L296-V358 HydrophobicContact CD2-CG2 4.48Å; V312-V358 CarbonylContact O-C 3.57Å; V312-V358 VanDerWaalsContact O-CA 3.31Å; V312-V358 WeakPolarHBondContact O-CA 3.33Å; I314-V358 HydrophobicContact CD1-CG1 3.76Å; I314-V358 HydrophobicContact CG1-CG1 4.01Å; I314-V358 HydrophobicContact CG2-CG1 4.27Å; T343-V358 WeakPolarHBondContact CB-O 3.44Å; T343-V358 VanDerWaalsContact CG2-O 3.32Å; T343-V358 WeakPolarHBondContact CG2-O 3.39Å; T343-V358 PolarHBondContact N-O 3.31Å; T343-V358 PolarHBondContact OG1-O 3.39Å; V345-V358 HydrophobicContact CB-CB 4.18Å; V345-V358 HydrophobicContact CB-CG2 4.26Å; V345-V358 HydrophobicContact CG1-CB 4.36Å; V345-V358 HydrophobicContact CG1-CG2 3.92Å; V345-V358 PolarHBondContact O-N 2.91Å; A347-V358 HydrophobicContact CB-CG2 3.83Å
359	V	97.5	Very high	91	Very high	0 Å²	0	44 Å²	44	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	135.7	179.1	174.7	0	0	0	0	109.2	H311 V312 A313 I314 C341 L342 L361 L386 L390 L392	H311-V359 HydrophobicContact CB-CG2 3.81Å; V312-V359 PolarHBondContact O-N 2.77Å; A313-V359 CarbonylContact C-O 3.58Å; A313-V359 WeakPolarHBondContact CA-O 3.17Å; I314-V359 PolarHBondContact N-O 2.69Å; C341-V359 WeakPolarHBondContact O-CA 3.22Å; L342-V359 HydrophobicContact CD1-CG2 4.26Å; V359-L361 HydrophobicContact CG1-CD2 4.38Å; V359-L386 HydrophobicContact CG1-CD1 4.47Å; V359-L386 HydrophobicContact CG1-CD2 4.43Å; V359-L390 HydrophobicContact CB-CD1 4.44Å; V359-L390 HydrophobicContact CG1-CD1 3.58Å; V359-L390 HydrophobicContact CG2-CD1 3.91Å; V359-L392 HydrophobicContact CG2-CD1 4.08Å
360	I	96.5	Very high	90.5	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	123.6	170.3	-54.9	156	0	0	0	108	I314 P316 L321 L331 L335 D340 C341 T343	I314-I360 HydrophobicContact CD1-CG1 4.23Å; I314-I360 HydrophobicContact CG1-CG1 4.08Å; I314-I360 WeakPolarHBondContact O-CA 3.42Å; P316-I360 HydrophobicContact CG-CG2 4.13Å; L321-I360 HydrophobicContact CD2-CD1 3.83Å; L321-I360 HydrophobicContact CD2-CG1 4.27Å; L321-I360 HydrophobicContact CD2-CG2 4.31Å; L331-I360 HydrophobicContact CB-CD1 4.3Å; L331-I360 HydrophobicContact CD2-CD1 4.31Å; L331-I360 WeakPolarHBondContact O-CD1 3.48Å; L335-I360 HydrophobicContact CB-CD1 4.19Å; L335-I360 HydrophobicContact CD1-CG2 3.78Å; D340-I360 CarbonylContact C-O 3.6Å; D340-I360 WeakPolarHBondContact CA-O 3.21Å; C341-I360 HydrophobicContact CB-CB 4.33Å; C341-I360 PolarHBondContact N-O 2.89Å; C341-I360 PolarHBondContact O-N 3.13Å; T343-I360 HydrophobicContact CG2-CD1 3.61Å; T343-I360 HydrophobicContact CG2-CG1 3.7Å
361	L	94.2	Very high	90	Very high	24 Å²	24	45.5 Å²	45.5	13%	0.126	26%	0.257	C	S	.	.			trans	-76.2	151	-179.3	-60.9	-178.3	0	0	0	112.2	A313 I314 P316 D340 V359 K363 L366 L386	A313-L361 HydrophobicContact CB-CD1 3.97Å; A313-L361 HydrophobicContact CB-CD2 3.91Å; A313-L361 HydrophobicContact CB-CG 3.92Å; I314-L361 PolarHBondContact O-N 3.34Å; P316-L361 VanDerWaalsContact CG-O 3.3Å; P316-L361 WeakPolarHBondContact CG-O 3.44Å; D340-L361 WeakPolarHBondContact OD1-CA 3.29Å; V359-L361 HydrophobicContact CG1-CD2 4.38Å; L361-K363 PolarHBondContact O-N 2.94Å; L361-L366 HydrophobicContact CD1-CD2 3.35Å; L361-L366 HydrophobicContact CD1-CG 4.18Å; L361-L386 HydrophobicContact CD2-CD2 3.49Å; L361-L386 VanDerWaalsContact CD2-CD2 3.49Å
362	A	89.9	Confident	89.9	Confident	35 Å²	35	45.2 Å²	45.2	29%	0.289	26%	0.255	S	S	.	.	S	Bend	trans	-60.5	-37.3	170.7	0	0	0	0	0	111.8	D340	D340-A362 WeakPolarHBondContact OD1-CB 3.33Å; D340-A362 PolarHBondContact OD1-N 2.94Å
363	K	84.5	Confident	89.9	Confident	130 Å²	130	45.8 Å²	45.8	57%	0.565	26%	0.256	S	S	*	.	S	Bend	trans	-75.7	137.3	-177	-167.6	-179.1	171.6	-158.1	0	110.4	P316 L361 D365	P316-K363 WeakPolarHBondContact CD-O 3.37Å; L361-K363 PolarHBondContact O-N 2.94Å; K363-D365 VanDerWaalsContact C-N 3.29Å; K363-D365 WeakPolarHBondContact CD-O 3.38Å; K363-D365 WeakPolarHBondContact CE-O 3.5Å; K363-D365 WeakPolarHBondContact CG-O 3.37Å; K363-D365 PolarHBondContact NZ-O 3.48Å; K363-D365 PolarHBondContact O-N 3.34Å
364	A	75.1	Confident	90	Very high	58 Å²	58	39.5 Å²	39.5	48%	0.479	23%	0.227	S	C	.	.	S	Bend	trans	-65.8	-31.7	-179.9	0	0	0	0	0	113.3	S315	S315-A364 WeakPolarHBondContact CB-O 3.49Å
365	D	77.6	Confident	90.1	Very high	109 Å²	109	37 Å²	37	58%	0.583	22%	0.215	S	C	*	.			trans	-131.5	137.5	-173	-56.4	-52.6	0	0	0	111.7	K363	K363-D365 VanDerWaalsContact C-N 3.29Å; K363-D365 WeakPolarHBondContact CD-O 3.38Å; K363-D365 WeakPolarHBondContact CE-O 3.5Å; K363-D365 WeakPolarHBondContact CG-O 3.37Å; K363-D365 PolarHBondContact NZ-O 3.48Å; K363-D365 PolarHBondContact O-N 3.34Å
366	L	82.1	Confident	90.1	Very high	20 Å²	20	33.3 Å²	33.3	11%	0.105	20%	0.198	C	C	.	.			trans	-81.1	172.7	170.5	-78	162	0	0	0	111	L361 L370 D371 K373	L361-L366 HydrophobicContact CD1-CD2 3.35Å; L361-L366 HydrophobicContact CD1-CG 4.18Å; L366-L370 HydrophobicContact CB-CB 4.07Å; L366-L370 HydrophobicContact CD1-CB 4.44Å; L366-D371 VanDerWaalsContact CD1-C 3.42Å; L366-K373 HydrophobicContact CD1-CB 4.4Å; L366-K373 HydrophobicContact CD2-CB 4.12Å; L366-K373 HydrophobicContact CD2-CD 4.44Å
367	E	80.9	Confident	90.1	Very high	89 Å²	89	33.2 Å²	33.2	42%	0.416	20%	0.197	S	C	.	.	S	Bend	trans	-60.5	147.2	174.4	-66.7	171.8	135.9	0	0	111.7	S369 L370 K373	E367-S369 PolarHBondContact O-N 2.68Å; E367-S369 VanDerWaalsContact O-N 3.13Å; E367-L370 PolarHBondContact O-N 3.09Å; E367-K373 IonicContact OE2-NZ 3.99Å; E367-K373 PolarHBondContact OE2-NZ 3.24Å
368	G	80.9	Confident	89.9	Confident	59 Å²	59	33.4 Å²	33.4	61%	0.608	20%	0.199	S	C	*	.	T	Hydrogen-bonded Turn	trans	59.8	-116.2	179.9	0	0	0	0	0	112
369	S	81.8	Confident	89.7	Confident	32 Å²	32	35.5 Å²	35.5	22%	0.224	21%	0.212	C	C	.	.	T	Hydrogen-bonded Turn	trans	-123.5	7	-171.9	90.7	0	0	0	0	113.1	E367 D442 K443 K445	E367-S369 PolarHBondContact O-N 2.68Å; E367-S369 VanDerWaalsContact O-N 3.13Å; S369-D442 WeakPolarHBondContact CB-O 3.46Å; S369-D442 PolarHBondContact N-O 2.97Å; S369-D442 PolarHBondContact OG-O 3.5Å; S369-K443 VanDerWaalsContact CB-O 3.22Å; S369-K443 WeakPolarHBondContact CB-O 3.46Å; S369-K443 VanDerWaalsContact OG-C 3.31Å; S369-K443 PolarHBondContact OG-O 3.16Å; S369-K445 WeakPolarHBondContact OG-CG 3.34Å
370	L	88.1	Confident	89.6	Confident	17 Å²	17	36.7 Å²	36.7	9%	0.089	22%	0.221	C	C	.	.			trans	-71.2	147.3	-173	-59.9	176.7	0	0	0	111.7	Y299 L366 E367 D442	Y299-L370 VanDerWaalsContact CB-CD2 3.5Å; Y299-L370 HydrophobicContact CD1-CD1 3.54Å; Y299-L370 HydrophobicContact CD1-CD2 4.27Å; Y299-L370 HydrophobicContact CD2-CD2 4.36Å; Y299-L370 HydrophobicContact CE1-CD1 4.34Å; Y299-L370 HydrophobicContact CG-CD1 3.92Å; Y299-L370 HydrophobicContact CG-CD2 3.81Å; L366-L370 HydrophobicContact CB-CB 4.07Å; L366-L370 HydrophobicContact CD1-CB 4.44Å; E367-L370 PolarHBondContact O-N 3.09Å; L370-D442 HydrophobicContact CD1-CB 3.78Å; L370-D442 HydrophobicContact CD2-CB 4.28Å; L370-D442 HydrophobicContact CG-CB 3.95Å
371	D	86.4	Confident	89.5	Confident	65 Å²	65	41 Å²	41	35%	0.348	25%	0.25	S	S	.	.	S	Bend	trans	-111.9	-10.5	169.4	62.9	-0.8	0	0	0	111.9	S315 H318 L366	S315-D371 PolarHBondContact N-O 3.37Å; H318-D371 PolarHBondContact CD2-O 3.17Å; H318-D371 IonicContact CD2-OD2 3.63Å; H318-D371 IonicContact NE2-OD2 3.77Å; L366-D371 VanDerWaalsContact CD1-C 3.42Å
372	S	94.2	Very high	89.4	Confident	0 Å²	0	45.3 Å²	45.3	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.4	143.5	175.6	56.5	0	0	0	0	112.9	T297 A298 Y299 A313	T297-S372 PolarHBondContact O-OG 3.32Å; A298-S372 WeakPolarHBondContact CA-OG 3.43Å; Y299-S372 PolarHBondContact N-O 2.84Å; A313-S372 CarbonylContact O-C 3.51Å; A313-S372 WeakPolarHBondContact O-CA 3.48Å
373	K	96.2	Very high	89.7	Confident	33 Å²	33	44.3 Å²	44.3	14%	0.143	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	143.6	-176.6	-176.9	175.4	177.8	175.3	0	110.1	Y299 V312 A313 L366 E367	Y299-K373 CarbonylContact O-C 3.58Å; Y299-K373 WeakPolarHBondContact O-CA 3.47Å; V312-K373 CarbonylContact C-O 3.53Å; A313-K373 PolarHBondContact N-O 2.74Å; A313-K373 PolarHBondContact O-N 3.28Å; L366-K373 HydrophobicContact CD1-CB 4.4Å; L366-K373 HydrophobicContact CD2-CB 4.12Å; L366-K373 HydrophobicContact CD2-CD 4.44Å; E367-K373 IonicContact OE2-NZ 3.99Å; E367-K373 PolarHBondContact OE2-NZ 3.24Å
374	I	98.1	Very high	90.3	Very high	1 Å²	1	39.5 Å²	39.5	1%	0.005	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	121	173.3	-52.5	170.9	0	0	0	107.4	L281 F283 A298 Y299 T300 I306 T309 I376	L281-I374 HydrophobicContact CB-CD1 4.08Å; L281-I374 HydrophobicContact CD1-CD1 4.21Å; L281-I374 HydrophobicContact CG-CD1 4.5Å; F283-I374 HydrophobicContact CE2-CD1 3.71Å; F283-I374 HydrophobicContact CE2-CG1 3.87Å; F283-I374 HydrophobicContact CZ-CD1 3.74Å; F283-I374 HydrophobicContact CZ-CG1 3.84Å; F283-I374 HydrophobicContact CZ-CG2 4.35Å; A298-I374 HydrophobicContact CB-CD1 4.37Å; A298-I374 HydrophobicContact CB-CG1 3.58Å; Y299-I374 PolarHBondContact O-N 2.65Å; T300-I374 HydrophobicContact CG2-CD1 3.97Å; I306-I374 HydrophobicContact CD1-CD1 3.82Å; I306-I374 HydrophobicContact CD1-CG2 3.8Å; T309-I374 HydrophobicContact CG2-CG2 3.53Å; T309-I374 WeakPolarHBondContact OG1-CG2 3.31Å; I374-I376 HydrophobicContact CG2-CD1 4.38Å; I374-I376 HydrophobicContact CG2-CG1 4.09Å
375	G	97.2	Very high	91.3	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	118.5	-179.2	0	0	0	0	0	111.6	T309 S310 H311 D383	T309-G375 WeakPolarHBondContact CA-O 3.44Å; S310-G375 PolarHBondContact N-O 3.35Å; H311-G375 PolarHBondContact O-N 3.13Å; G375-D383 WeakPolarHBondContact CA-OD2 3.05Å
376	I	97.7	Very high	92.1	Very high	1 Å²	1	37.2 Å²	37.2	1%	0.005	22%	0.22	C	C	.	.			trans	-126.4	89.3	-177.2	-54	175.3	0	0	0	108.9	A305 I374 S378 T379 S380 D383	A305-I376 HydrophobicContact CB-CD1 4.46Å; A305-I376 HydrophobicContact CB-CG2 3.93Å; A305-I376 WeakPolarHBondContact O-CG2 3.36Å; I374-I376 HydrophobicContact CG2-CD1 4.38Å; I374-I376 HydrophobicContact CG2-CG1 4.09Å; I376-S378 VanDerWaalsContact C-N 3.28Å; I376-S378 PolarHBondContact O-N 3.45Å; I376-T379 HydrophobicContact CG2-CG2 4.41Å; I376-T379 PolarHBondContact O-N 3.08Å; I376-T379 PolarHBondContact O-OG1 3.41Å; I376-S380 PolarHBondContact O-N 2.99Å; I376-D383 PolarHBondContact N-OD2 2.79Å
377	P	97.1	Very high	92.9	Very high	3 Å²	3	36.2 Å²	36.2	2%	0.019	22%	0.215	C	C	.	.	G	3₁₀ helix	trans	-51.6	-40.4	-175	-33.4	40.2	0	0	0	114.9	S310 T379 S380 D383 T384 A387 Y394	S310-P377 WeakPolarHBondContact OG-CD 3.48Å; S310-P377 VanDerWaalsContact OG-CG 3.3Å; S310-P377 WeakPolarHBondContact OG-CG 3.47Å; P377-T379 PolarHBondContact O-N 2.95Å; P377-S380 PolarHBondContact O-N 3.13Å; P377-S380 VanDerWaalsContact O-N 3.1Å; P377-S380 VanDerWaalsContact O-O 3.05Å; P377-D383 HydrophobicContact CG-CB 4.33Å; P377-T384 WeakPolarHBondContact CA-OG1 3.22Å; P377-T384 PolarHBondContact O-OG1 2.81Å; P377-A387 HydrophobicContact CG-CB 3.9Å; P377-Y394 HydrophobicContact CB-CD1 3.93Å; P377-Y394 HydrophobicContact CB-CD2 3.63Å; P377-Y394 HydrophobicContact CB-CE1 3.83Å; P377-Y394 HydrophobicContact CB-CE2 3.55Å; P377-Y394 HydrophobicContact CB-CG 3.82Å; P377-Y394 HydrophobicContact CG-CD1 3.69Å; P377-Y394 HydrophobicContact CG-CD2 4.01Å; P377-Y394 HydrophobicContact CG-CE1 4.02Å; P377-Y394 HydrophobicContact CG-CE2 4.34Å; P377-Y394 HydrophobicContact CG-CG 3.68Å
378	S	93.1	Very high	93.6	Very high	26 Å²	26	38.2 Å²	38.2	18%	0.182	22%	0.224	C	C	.	.	G	3₁₀ helix	trans	-62.3	-11.8	-179.8	63.6	0	0	0	0	114.3	I376 E396 V397	I376-S378 VanDerWaalsContact C-N 3.28Å; I376-S378 PolarHBondContact O-N 3.45Å; S378-E396 VanDerWaalsContact CB-OE2 3.29Å; S378-E396 WeakPolarHBondContact CB-OE2 3.33Å; S378-V397 WeakPolarHBondContact OG-CG2 3.32Å
379	T	94.5	Very high	94.3	Very high	44 Å²	44	40.1 Å²	40.1	27%	0.27	22%	0.224	S	C	.	.	G	3₁₀ helix	trans	-120.7	-3.4	177.8	56.9	0	0	0	0	113.9	T302 A305 I376 P377 I398	T302-T379 HydrophobicContact CG2-CG2 4.1Å; T302-T379 PolarHBondContact OG1-OG1 2.63Å; A305-T379 HydrophobicContact CB-CG2 3.7Å; I376-T379 HydrophobicContact CG2-CG2 4.41Å; I376-T379 PolarHBondContact O-N 3.08Å; I376-T379 PolarHBondContact O-OG1 3.41Å; P377-T379 PolarHBondContact O-N 2.95Å; T379-I398 HydrophobicContact CG2-CD1 3.33Å; T379-I398 HydrophobicContact CG2-CG1 4.47Å
380	S	94.8	Very high	94.9	Very high	25 Å²	25	40.4 Å²	40.4	18%	0.175	22%	0.223	C	C	.	.			trans	-147.7	118.9	-168.4	173.3	0	0	0	0	111.1	I376 P377 E382 D383 T384	I376-S380 PolarHBondContact O-N 2.99Å; P377-S380 PolarHBondContact O-N 3.13Å; P377-S380 VanDerWaalsContact O-N 3.1Å; P377-S380 VanDerWaalsContact O-O 3.05Å; S380-E382 VanDerWaalsContact C-N 3.32Å; S380-D383 WeakPolarHBondContact CB-OD2 3.4Å; S380-D383 PolarHBondContact O-N 3.11Å; S380-D383 PolarHBondContact OG-N 3.46Å; S380-D383 PolarHBondContact OG-OD2 2.92Å; S380-D383 VanDerWaalsContact OG-OD2 3.09Å; S380-T384 PolarHBondContact O-N 3.2Å; S380-T384 PolarHBondContact O-OG1 2.97Å
381	S	94.7	Very high	95.3	Very high	89 Å²	89	42.8 Å²	42.8	62%	0.622	25%	0.252	S	S	*	.	H	α-helix	trans	-66.4	-35.1	176.7	54	0	0	0	0	112.1	T384 I385	S381-T384 WeakPolarHBondContact O-CB 3.22Å; S381-T384 PolarHBondContact O-N 3.25Å; S381-I385 VanDerWaalsContact O-CG1 3.32Å; S381-I385 WeakPolarHBondContact O-CG1 3.45Å; S381-I385 PolarHBondContact O-N 3.42Å
382	E	93.2	Very high	95.8	Very high	116 Å²	116	40.8 Å²	40.8	54%	0.542	24%	0.241	S	C	.	.	H	α-helix	trans	-63.5	-46.1	175	-64.2	-173.5	168.2	0	0	111.2	S380 T384 I385 L386	S380-E382 VanDerWaalsContact C-N 3.32Å; E382-T384 VanDerWaalsContact C-N 3.27Å; E382-T384 PolarHBondContact O-N 3.27Å; E382-I385 PolarHBondContact O-N 3.39Å; E382-L386 WeakPolarHBondContact O-CB 3.39Å; E382-L386 PolarHBondContact O-N 2.91Å
383	D	95.7	Very high	95.8	Very high	13 Å²	13	45.1 Å²	45.1	7%	0.07	28%	0.277	C	S	.	.	H	α-helix	trans	-66.9	-32.4	178.2	-61.6	-26.6	0	0	0	111.2	G375 I376 P377 S380 A387	G375-D383 WeakPolarHBondContact CA-OD2 3.05Å; I376-D383 PolarHBondContact N-OD2 2.79Å; P377-D383 HydrophobicContact CG-CB 4.33Å; S380-D383 WeakPolarHBondContact CB-OD2 3.4Å; S380-D383 PolarHBondContact O-N 3.11Å; S380-D383 PolarHBondContact OG-N 3.46Å; S380-D383 PolarHBondContact OG-OD2 2.92Å; S380-D383 VanDerWaalsContact OG-OD2 3.09Å; D383-A387 WeakPolarHBondContact O-CB 3.13Å; D383-A387 PolarHBondContact O-N 3.46Å
384	T	97.1	Very high	95.7	Very high	29 Å²	29	47.1 Å²	47.1	18%	0.178	28%	0.284	C	S	.	.	H	α-helix	trans	-63.4	-49.2	173.1	-62.8	0	0	0	0	111.6	P377 S380 S381 E382 L386 A387 Q388	P377-T384 WeakPolarHBondContact CA-OG1 3.22Å; P377-T384 PolarHBondContact O-OG1 2.81Å; S380-T384 PolarHBondContact O-N 3.2Å; S380-T384 PolarHBondContact O-OG1 2.97Å; S381-T384 WeakPolarHBondContact O-CB 3.22Å; S381-T384 PolarHBondContact O-N 3.25Å; E382-T384 VanDerWaalsContact C-N 3.27Å; E382-T384 PolarHBondContact O-N 3.27Å; T384-L386 VanDerWaalsContact C-N 3.32Å; T384-L386 PolarHBondContact O-N 3.41Å; T384-A387 PolarHBondContact O-N 2.9Å; T384-Q388 HydrophobicContact CG2-CG 4.5Å; T384-Q388 WeakPolarHBondContact O-CB 3.41Å; T384-Q388 VanDerWaalsContact O-CG 3.28Å; T384-Q388 WeakPolarHBondContact O-CG 3.44Å; T384-Q388 PolarHBondContact O-N 2.94Å
385	I	95.9	Very high	95.5	Very high	104 Å²	104	50 Å²	50	53%	0.533	30%	0.304	S	S	.	.	H	α-helix	trans	-61	-44.5	178.3	-69.5	163.9	0	0	0	110.1	S381 E382 Q388 T389	S381-I385 VanDerWaalsContact O-CG1 3.32Å; S381-I385 WeakPolarHBondContact O-CG1 3.45Å; S381-I385 PolarHBondContact O-N 3.42Å; E382-I385 PolarHBondContact O-N 3.39Å; I385-Q388 PolarHBondContact O-N 2.89Å; I385-T389 VanDerWaalsContact O-CB 3.29Å; I385-T389 WeakPolarHBondContact O-CB 3.39Å; I385-T389 PolarHBondContact O-N 3.06Å; I385-T389 PolarHBondContact O-OG1 2.81Å
386	L	95.4	Very high	95.3	Very high	15 Å²	15	55.1 Å²	55.1	8%	0.079	33%	0.328	C	S	.	.	H	α-helix	trans	-64.6	-46.4	179.6	-179.1	57	0	0	0	111.7	H311 D340 V359 L361 E382 T384 Q388 T389 L390	H311-L386 VanDerWaalsContact NE2-CD2 3.3Å; H311-L386 WeakPolarHBondContact NE2-CD2 3.27Å; D340-L386 HydrophobicContact CB-CD1 3.59Å; V359-L386 HydrophobicContact CG1-CD1 4.47Å; V359-L386 HydrophobicContact CG1-CD2 4.43Å; L361-L386 HydrophobicContact CD2-CD2 3.49Å; L361-L386 VanDerWaalsContact CD2-CD2 3.49Å; E382-L386 WeakPolarHBondContact O-CB 3.39Å; E382-L386 PolarHBondContact O-N 2.91Å; T384-L386 VanDerWaalsContact C-N 3.32Å; T384-L386 PolarHBondContact O-N 3.41Å; L386-Q388 PolarHBondContact O-N 3.29Å; L386-T389 PolarHBondContact O-N 2.71Å; L386-L390 HydrophobicContact CD1-CD1 3.65Å; L386-L390 HydrophobicContact CD1-CG 4.1Å; L386-L390 HydrophobicContact CG-CD1 4.28Å; L386-L390 WeakPolarHBondContact O-CB 3.32Å; L386-L390 PolarHBondContact O-N 2.82Å
387	A	96.9	Very high	95.3	Very high	0 Å²	0	55.1 Å²	55.1	0%	0	33%	0.328	C	S	.	.	H	α-helix	trans	-60	-44	176.4	0	0	0	0	0	111.7	P377 D383 T384 L390 G391 L392 Y394	P377-A387 HydrophobicContact CG-CB 3.9Å; D383-A387 WeakPolarHBondContact O-CB 3.13Å; D383-A387 PolarHBondContact O-N 3.46Å; T384-A387 PolarHBondContact O-N 2.9Å; A387-L390 PolarHBondContact O-N 3.06Å; A387-G391 CarbonylContact O-C 3.59Å; A387-G391 PolarHBondContact O-N 3.08Å; A387-L392 HydrophobicContact CB-CB 4.11Å; A387-L392 PolarHBondContact O-N 2.77Å; A387-Y394 HydrophobicContact CB-CD1 4.07Å; A387-Y394 HydrophobicContact CB-CE1 4.14Å
388	Q	96.1	Very high	95.2	Very high	130 Å²	130	56.2 Å²	56.2	61%	0.607	33%	0.333	S	S	*	.	H	α-helix	trans	-65.1	-44.1	176.6	-72.5	174.6	-3.9	0	0	112.3	T384 I385 L386 L390 G391	T384-Q388 HydrophobicContact CG2-CG 4.5Å; T384-Q388 WeakPolarHBondContact O-CB 3.41Å; T384-Q388 VanDerWaalsContact O-CG 3.28Å; T384-Q388 WeakPolarHBondContact O-CG 3.44Å; T384-Q388 PolarHBondContact O-N 2.94Å; I385-Q388 PolarHBondContact O-N 2.89Å; L386-Q388 PolarHBondContact O-N 3.29Å; Q388-L390 VanDerWaalsContact C-N 3.27Å; Q388-L390 PolarHBondContact O-N 3.32Å; Q388-G391 PolarHBondContact O-N 3.49Å
389	T	95.2	Very high	95.3	Very high	100 Å²	100	58.5 Å²	58.5	61%	0.613	34%	0.341	S	S	*	.	H	α-helix	trans	-61	-37.8	179.8	-60.1	0	0	0	0	111.8	I385 L386	I385-T389 VanDerWaalsContact O-CB 3.29Å; I385-T389 WeakPolarHBondContact O-CB 3.39Å; I385-T389 PolarHBondContact O-N 3.06Å; I385-T389 PolarHBondContact O-OG1 2.81Å; L386-T389 PolarHBondContact O-N 2.71Å
390	L	96	Very high	95.3	Very high	37 Å²	37	60.6 Å²	60.6	19%	0.194	35%	0.354	C	S	.	.	H	α-helix	trans	-95.4	0.8	-179.8	-64.3	-179.6	0	0	0	113.8	D340 V359 L386 A387 Q388 L392	D340-L390 HydrophobicContact CB-CD1 4.4Å; V359-L390 HydrophobicContact CB-CD1 4.44Å; V359-L390 HydrophobicContact CG1-CD1 3.58Å; V359-L390 HydrophobicContact CG2-CD1 3.91Å; L386-L390 HydrophobicContact CD1-CD1 3.65Å; L386-L390 HydrophobicContact CD1-CG 4.1Å; L386-L390 HydrophobicContact CG-CD1 4.28Å; L386-L390 WeakPolarHBondContact O-CB 3.32Å; L386-L390 PolarHBondContact O-N 2.82Å; A387-L390 PolarHBondContact O-N 3.06Å; Q388-L390 VanDerWaalsContact C-N 3.27Å; Q388-L390 PolarHBondContact O-N 3.32Å; L390-L392 HydrophobicContact CB-CD1 4.15Å; L390-L392 HydrophobicContact CB-CD2 4.15Å; L390-L392 HydrophobicContact CB-CG 3.81Å; L390-L392 HydrophobicContact CD1-CD1 4.43Å
391	G	96.3	Very high	95.2	Very high	68 Å²	68	61.5 Å²	61.5	70%	0.701	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	65.9	34.2	180	0	0	0	0	0	114.4	A387 Q388	A387-G391 CarbonylContact O-C 3.59Å; A387-G391 PolarHBondContact O-N 3.08Å; Q388-G391 PolarHBondContact O-N 3.49Å
392	L	96.9	Very high	95.2	Very high	22 Å²	22	64.2 Å²	64.2	12%	0.115	37%	0.372	C	S	.	.			trans	-86.6	134.5	-176.4	-52	-176.1	0	0	0	111.9	H311 L342 P357 V359 A387 L390	H311-L392 HydrophobicContact CB-CD1 3.84Å; L342-L392 HydrophobicContact CD1-CD2 3.92Å; L342-L392 HydrophobicContact CD2-CD2 4.4Å; P357-L392 HydrophobicContact CG-CD1 4.25Å; P357-L392 HydrophobicContact CG-CD2 3.89Å; V359-L392 HydrophobicContact CG2-CD1 4.08Å; A387-L392 HydrophobicContact CB-CB 4.11Å; A387-L392 PolarHBondContact O-N 2.77Å; L390-L392 HydrophobicContact CB-CD1 4.15Å; L390-L392 HydrophobicContact CB-CD2 4.15Å; L390-L392 HydrophobicContact CB-CG 3.81Å; L390-L392 HydrophobicContact CD1-CD1 4.43Å
393	A	94.2	Very high	95.1	Very high	92 Å²	92	64.2 Å²	64.2	76%	0.76	38%	0.376	S	S	*	.			trans	-78.6	144.5	175.4	0	0	0	0	0	111.5
394	Y	94.1	Very high	94.9	Very high	74 Å²	74	66.1 Å²	66.1	29%	0.29	40%	0.398	S	S	.	.			trans	-152.3	165.3	172.8	63.9	-90.1	0	0	0	110.8	P377 A387	P377-Y394 HydrophobicContact CB-CD1 3.93Å; P377-Y394 HydrophobicContact CB-CD2 3.63Å; P377-Y394 HydrophobicContact CB-CE1 3.83Å; P377-Y394 HydrophobicContact CB-CE2 3.55Å; P377-Y394 HydrophobicContact CB-CG 3.82Å; P377-Y394 HydrophobicContact CG-CD1 3.69Å; P377-Y394 HydrophobicContact CG-CD2 4.01Å; P377-Y394 HydrophobicContact CG-CE1 4.02Å; P377-Y394 HydrophobicContact CG-CE2 4.34Å; P377-Y394 HydrophobicContact CG-CG 3.68Å; A387-Y394 HydrophobicContact CB-CD1 4.07Å; A387-Y394 HydrophobicContact CB-CE1 4.14Å
395	S	92.8	Very high	94.7	Very high	61 Å²	61	68 Å²	68	43%	0.427	41%	0.41	S	S	.	.			trans	-111.1	141.8	178.2	-61.7	0	0	0	0	110.5	V397	S395-V397 PolarHBondContact O-N 3.38Å
396	E	94.6	Very high	94.6	Very high	109 Å²	109	66.6 Å²	66.6	51%	0.509	40%	0.401	S	S	.	.			trans	-72.9	119	166.4	-69.1	-60.6	160.7	0	0	109.6	S378 S409	S378-E396 VanDerWaalsContact CB-OE2 3.29Å; S378-E396 WeakPolarHBondContact CB-OE2 3.33Å; E396-S409 PolarHBondContact O-OG 3.13Å
397	V	96.6	Very high	94.7	Very high	0 Å²	0	70.1 Å²	70.1	0%	0	41%	0.414	C	S	.	.			trans	-119.2	0.8	-175.6	-64.1	0	0	0	0	113.7	A305 S378 S395 L408 S409	A305-V397 HydrophobicContact CB-CG2 3.99Å; S378-V397 WeakPolarHBondContact OG-CG2 3.32Å; S395-V397 PolarHBondContact O-N 3.38Å; V397-L408 CarbonylContact O-C 3.53Å; V397-L408 WeakPolarHBondContact O-CA 3.22Å; V397-L408 WeakPolarHBondContact O-CD1 3.49Å; V397-S409 VanDerWaalsContact C-OG 3.23Å; V397-S409 WeakPolarHBondContact CA-O 3.13Å; V397-S409 WeakPolarHBondContact CA-OG 3.18Å; V397-S409 WeakPolarHBondContact CB-O 3.44Å; V397-S409 PolarHBondContact O-N 3.26Å; V397-S409 PolarHBondContact O-OG 3.02Å
398	I	96	Very high	94.7	Very high	26 Å²	26	70.2 Å²	70.2	13%	0.133	41%	0.414	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	125.6	173.8	-62.3	-176.5	0	0	0	108.5	A305 T379 E406	A305-I398 HydrophobicContact CB-CD1 4.49Å; T379-I398 HydrophobicContact CG2-CD1 3.33Å; T379-I398 HydrophobicContact CG2-CG1 4.47Å; I398-E406 HydrophobicContact CG2-CB 4.02Å; I398-E406 HydrophobicContact CG2-CG 4.05Å
399	E	95.3	Very high	94.7	Very high	74 Å²	74	65.1 Å²	65.1	35%	0.346	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	118.7	172.3	-175.8	-172.9	178.1	0	0	108.9	E406 R407	E399-E406 WeakPolarHBondContact O-CA 3.42Å; E399-R407 HydrophobicContact CB-CG 4.13Å; E399-R407 PolarHBondContact N-O 3.05Å; E399-R407 PolarHBondContact O-N 3.31Å; E399-R407 IonicContact OE1-CZ 2.98Å; E399-R407 IonicContact OE1-NE 3.72Å; E399-R407 IonicContact OE1-NH2 2.99Å; E399-R407 PolarHBondContact OE1-NH2 3.27Å; E399-R407 IonicContact OE2-CZ 2.63Å; E399-R407 IonicContact OE2-NE 2.68Å; E399-R407 PolarHBondContact OE2-NE 3.47Å; E399-R407 IonicContact OE2-NH2 2.74Å; E399-R407 PolarHBondContact OE2-NH2 2.91Å
400	T	94.6	Very high	94.7	Very high	88 Å²	88	64.6 Å²	64.6	54%	0.54	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	120	172.4	-47.9	0	0	0	0	109.6
401	L	92.3	Very high	94.7	Very high	45 Å²	45	62.9 Å²	62.9	24%	0.236	38%	0.384	C	S	.	.			trans	-77.8	162.2	177.3	-63	-174.8	0	0	0	111.5	D403 G404 T405	L401-D403 WeakPolarHBondContact CB-OD1 3.4Å; L401-D403 PolarHBondContact O-N 3.3Å; L401-G404 PolarHBondContact O-N 2.78Å; L401-T405 PolarHBondContact N-O 3.2Å
402	P	93.6	Very high	94.7	Very high	145 Å²	145	62.1 Å²	62.1	94%	0.942	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.4	-22.1	-179.6	-26.8	35.7	0	0	0	115.2	G404	P402-G404 VanDerWaalsContact C-N 3.29Å
403	D	92.1	Very high	94.6	Very high	117 Å²	117	65.6 Å²	65.6	63%	0.626	39%	0.387	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.1	1.8	176.5	65.9	0.4	0	0	0	113.5	L401 T405	L401-D403 WeakPolarHBondContact CB-OD1 3.4Å; L401-D403 PolarHBondContact O-N 3.3Å; D403-T405 VanDerWaalsContact C-N 3.32Å; D403-T405 WeakPolarHBondContact OD1-CB 3.41Å; D403-T405 WeakPolarHBondContact OD1-CG2 3.42Å; D403-T405 PolarHBondContact OD1-N 3.19Å; D403-T405 PolarHBondContact OD1-OG1 3.15Å; D403-T405 PolarHBondContact OD2-OG1 2.77Å
404	G	90.9	Very high	94.7	Very high	52 Å²	52	61.5 Å²	61.5	54%	0.536	35%	0.352	S	S	.	.	S	Bend	trans	84	0.6	-178.9	0	0	0	0	0	114.5	L401 P402	L401-G404 PolarHBondContact O-N 2.78Å; P402-G404 VanDerWaalsContact C-N 3.29Å
405	T	92	Very high	94.9	Very high	70 Å²	70	61.7 Å²	61.7	43%	0.429	36%	0.361	S	S	.	.			trans	-77	146.7	174.7	63	0	0	0	0	111.3	L401 D403	L401-T405 PolarHBondContact N-O 3.2Å; D403-T405 VanDerWaalsContact C-N 3.32Å; D403-T405 WeakPolarHBondContact OD1-CB 3.41Å; D403-T405 WeakPolarHBondContact OD1-CG2 3.42Å; D403-T405 PolarHBondContact OD1-N 3.19Å; D403-T405 PolarHBondContact OD1-OG1 3.15Å; D403-T405 PolarHBondContact OD2-OG1 2.77Å
406	E	95.9	Very high	95.1	Very high	74 Å²	74	60.9 Å²	60.9	35%	0.346	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	133.9	-179	-67.2	-177.8	153.5	0	0	111.1	I398 E399 R419	I398-E406 HydrophobicContact CG2-CB 4.02Å; I398-E406 HydrophobicContact CG2-CG 4.05Å; E399-E406 WeakPolarHBondContact O-CA 3.42Å; E406-R419 HydrophobicContact CB-CG 3.95Å; E406-R419 PolarHBondContact O-N 3.2Å; E406-R419 WeakPolarHBondContact OE2-CD 3.49Å; E406-R419 IonicContact OE2-CZ 3.29Å; E406-R419 IonicContact OE2-NE 3.04Å; E406-R419 IonicContact OE2-NH1 3.55Å; E406-R419 PolarHBondContact OE2-NH1 2.98Å
407	R	96.6	Very high	95.3	Very high	89 Å²	89	58.8 Å²	58.8	34%	0.336	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	161.7	173.4	69.8	177.6	-173.7	-172.5	-6.1	111.7	E399 M417	E399-R407 HydrophobicContact CB-CG 4.13Å; E399-R407 PolarHBondContact N-O 3.05Å; E399-R407 PolarHBondContact O-N 3.31Å; E399-R407 IonicContact OE1-CZ 2.98Å; E399-R407 IonicContact OE1-NE 3.72Å; E399-R407 IonicContact OE1-NH2 2.99Å; E399-R407 PolarHBondContact OE1-NH2 3.27Å; E399-R407 IonicContact OE2-CZ 2.63Å; E399-R407 IonicContact OE2-NE 2.68Å; E399-R407 PolarHBondContact OE2-NE 3.47Å; E399-R407 IonicContact OE2-NH2 2.74Å; E399-R407 PolarHBondContact OE2-NH2 2.91Å; R407-M417 CarbonylContact C-O 3.54Å; R407-M417 WeakPolarHBondContact CA-O 3.4Å; R407-M417 VanDerWaalsContact CB-O 3.29Å; R407-M417 WeakPolarHBondContact CB-O 3.39Å
408	L	97.5	Very high	95.3	Very high	1 Å²	1	61.9 Å²	61.9	1%	0.005	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	133	179.5	-75.6	-62.1	0	0	0	110.4	E304 V397 F414 T415 G416 M417 R419 A422	E304-L408 HydrophobicContact CG-CD1 4.49Å; E304-L408 HydrophobicContact CG-CD2 4.46Å; E304-L408 WeakPolarHBondContact O-CD1 3.28Å; V397-L408 CarbonylContact O-C 3.53Å; V397-L408 WeakPolarHBondContact O-CA 3.22Å; V397-L408 WeakPolarHBondContact O-CD1 3.49Å; L408-F414 WeakPolarHBondContact CB-O 3.26Å; L408-T415 CarbonylContact O-C 3.54Å; L408-T415 WeakPolarHBondContact O-CA 3.45Å; L408-G416 PolarHBondContact O-N 3.45Å; L408-M417 PolarHBondContact N-O 2.94Å; L408-R419 HydrophobicContact CD2-CG 4.11Å; L408-A422 HydrophobicContact CD2-CB 3.37Å; L408-A422 HydrophobicContact CG-CB 3.75Å
409	S	95.9	Very high	95.3	Very high	23 Å²	23	63.9 Å²	63.9	16%	0.161	38%	0.379	C	S	.	.			trans	-114.2	155.5	169.1	57.4	0	0	0	0	109.7	E396 V397 S411	E396-S409 PolarHBondContact O-OG 3.13Å; V397-S409 VanDerWaalsContact C-OG 3.23Å; V397-S409 WeakPolarHBondContact CA-O 3.13Å; V397-S409 WeakPolarHBondContact CA-OG 3.18Å; V397-S409 WeakPolarHBondContact CB-O 3.44Å; V397-S409 PolarHBondContact O-N 3.26Å; V397-S409 PolarHBondContact O-OG 3.02Å; S409-S411 WeakPolarHBondContact O-CB 3.37Å; S409-S411 PolarHBondContact O-N 3.29Å; S409-S411 PolarHBondContact O-OG 3.28Å
410	S	94.3	Very high	95.3	Very high	90 Å²	90	66.1 Å²	66.1	63%	0.629	39%	0.389	S	S	*	.	S	Bend	trans	50.9	31.4	171.8	-55.3	0	0	0	0	114.9
411	S	96.4	Very high	95.4	Very high	0 Å²	0	66 Å²	66	0%	0	39%	0.385	C	S	.	.			trans	-119.3	41	-168.5	-66.3	0	0	0	0	111.8	S409 E413 F414 T415	S409-S411 WeakPolarHBondContact O-CB 3.37Å; S409-S411 PolarHBondContact O-N 3.29Å; S409-S411 PolarHBondContact O-OG 3.28Å; S411-E413 PolarHBondContact O-N 3.07Å; S411-F414 WeakPolarHBondContact O-CB 3.17Å; S411-F414 WeakPolarHBondContact O-CD2 3.49Å; S411-F414 PolarHBondContact O-N 3.43Å; S411-T415 PolarHBondContact N-OG1 3.24Å
412	A	95.6	Very high	95.7	Very high	53 Å²	53	63.9 Å²	63.9	44%	0.438	37%	0.374	S	S	.	.	G	3₁₀ helix	trans	48.7	-128.9	-176.9	0	0	0	0	0	112	Y307 F414 T415	Y307-A412 HydrophobicContact CE1-CB 3.81Å; Y307-A412 HydrophobicContact CE2-CB 4.33Å; Y307-A412 WeakPolarHBondContact OH-CB 3.43Å; A412-F414 PolarHBondContact O-N 3.1Å; A412-F414 VanDerWaalsContact O-N 3.15Å; A412-T415 WeakPolarHBondContact O-CB 3.23Å; A412-T415 PolarHBondContact O-N 3Å; A412-T415 PolarHBondContact O-OG1 3.21Å
413	E	95.6	Very high	95.9	Very high	95 Å²	95	58.4 Å²	58.4	44%	0.444	34%	0.335	S	S	.	.	G	3₁₀ helix	trans	-63.5	-12.8	179.6	64.7	-83.6	-173.7	0	0	115.4	S411 K429	S411-E413 PolarHBondContact O-N 3.07Å; E413-K429 VanDerWaalsContact CD-NZ 3.27Å; E413-K429 IonicContact OE1-NZ 3.19Å; E413-K429 PolarHBondContact OE1-NZ 2.93Å; E413-K429 IonicContact OE2-NZ 2.79Å
414	F	97.1	Very high	96.1	Very high	6 Å²	6	57.3 Å²	57.3	3%	0.026	33%	0.329	C	S	.	.	G	3₁₀ helix	trans	-90.7	-5.3	178.2	-52.4	-75.6	0	0	0	112.8	Y307 L408 S411 A412 G416 M417 A422 A425 L426 K429	Y307-F414 AromaticContact CE2-CD2 3.84Å; Y307-F414 HydrophobicContact CE2-CD2 3.84Å; Y307-F414 HydrophobicContact CE2-CE2 4.11Å; L408-F414 WeakPolarHBondContact CB-O 3.26Å; S411-F414 WeakPolarHBondContact O-CB 3.17Å; S411-F414 WeakPolarHBondContact O-CD2 3.49Å; S411-F414 PolarHBondContact O-N 3.43Å; A412-F414 PolarHBondContact O-N 3.1Å; A412-F414 VanDerWaalsContact O-N 3.15Å; F414-G416 PolarHBondContact O-N 2.9Å; F414-M417 HydrophobicContact CB-SD 4.29Å; F414-M417 HydrophobicContact CD1-CE 4.37Å; F414-M417 HydrophobicContact CD1-SD 3.9Å; F414-M417 WeakPolarHBondContact O-CB 3.36Å; F414-M417 WeakPolarHBondContact O-CG 3.37Å; F414-M417 PolarHBondContact O-N 2.85Å; F414-M417 VanDerWaalsContact O-N 3.14Å; F414-A422 HydrophobicContact CB-CB 4.47Å; F414-A425 HydrophobicContact CD1-CB 4.03Å; F414-A425 HydrophobicContact CE1-CB 3.72Å; F414-L426 HydrophobicContact CD1-CB 4.49Å; F414-L426 HydrophobicContact CD2-CD1 4.15Å; F414-L426 HydrophobicContact CE1-CB 3.98Å; F414-L426 HydrophobicContact CE2-CB 4.44Å; F414-L426 HydrophobicContact CE2-CD1 3.89Å; F414-L426 HydrophobicContact CE2-CG 4.28Å; F414-L426 HydrophobicContact CZ-CB 3.94Å; F414-L426 HydrophobicContact CZ-CD1 4.23Å; F414-L426 HydrophobicContact CZ-CG 4.15Å; F414-K429 HydrophobicContact CZ-CD 3.9Å
415	T	97.4	Very high	96.5	Very high	77 Å²	77	56.4 Å²	56.4	47%	0.472	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.9	129.9	179	-56.3	0	0	0	0	111	L408 S411 A412	L408-T415 CarbonylContact O-C 3.54Å; L408-T415 WeakPolarHBondContact O-CA 3.45Å; S411-T415 PolarHBondContact N-OG1 3.24Å; A412-T415 WeakPolarHBondContact O-CB 3.23Å; A412-T415 PolarHBondContact O-N 3Å; A412-T415 PolarHBondContact O-OG1 3.21Å
416	G	96.6	Very high	96.7	Very high	45 Å²	45	53 Å²	53	46%	0.464	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	89.7	-12.7	-178.9	0	0	0	0	0	114.9	L408 F414	L408-G416 PolarHBondContact O-N 3.45Å; F414-G416 PolarHBondContact O-N 2.9Å
417	M	98	Very high	96.8	Very high	64 Å²	64	49.6 Å²	49.6	32%	0.315	28%	0.28	S	S	.	.			trans	-70.1	150.6	174.1	-64.7	-175	-178.2	0	0	111.2	R407 L408 F414 D421 A422 A425	R407-M417 CarbonylContact C-O 3.54Å; R407-M417 WeakPolarHBondContact CA-O 3.4Å; R407-M417 VanDerWaalsContact CB-O 3.29Å; R407-M417 WeakPolarHBondContact CB-O 3.39Å; L408-M417 PolarHBondContact N-O 2.94Å; F414-M417 HydrophobicContact CB-SD 4.29Å; F414-M417 HydrophobicContact CD1-CE 4.37Å; F414-M417 HydrophobicContact CD1-SD 3.9Å; F414-M417 WeakPolarHBondContact O-CB 3.36Å; F414-M417 WeakPolarHBondContact O-CG 3.37Å; F414-M417 PolarHBondContact O-N 2.85Å; F414-M417 VanDerWaalsContact O-N 3.14Å; M417-D421 HydrophobicContact CB-CB 4.33Å; M417-A422 HydrophobicContact CB-CB 4.03Å; M417-A425 HydrophobicContact SD-CB 4.26Å
418	T	97.1	Very high	96.8	Very high	65 Å²	65	50 Å²	50	40%	0.399	29%	0.286	S	S	.	.	B	Isolated β-bridge	trans	-64.1	158.2	165.6	72.8	0	0	0	0	109.8	Q420 D421 A422	T418-Q420 PolarHBondContact O-N 3.4Å; T418-D421 PolarHBondContact O-N 3.32Å; T418-D421 PolarHBondContact OG1-N 2.9Å; T418-D421 PolarHBondContact OG1-OD2 3.12Å; T418-A422 WeakPolarHBondContact O-CB 3.16Å; T418-A422 PolarHBondContact O-N 3.5Å
419	R	95.6	Very high	96.8	Very high	69 Å²	69	52.7 Å²	52.7	26%	0.26	30%	0.297	S	S	.	.	H	α-helix	trans	-55	-41.2	176.6	-71.5	-172.5	66.7	-176.4	0.4	113.3	E304 E406 L408 F423	E304-R419 HydrophobicContact CG-CB 4.3Å; E304-R419 HydrophobicContact CG-CG 4.47Å; E304-R419 IonicContact OE1-CZ 2.71Å; E304-R419 VanDerWaalsContact OE1-CZ 3.27Å; E304-R419 IonicContact OE1-NE 2.89Å; E304-R419 PolarHBondContact OE1-NE 3.16Å; E304-R419 IonicContact OE1-NH2 3.13Å; E304-R419 PolarHBondContact OE1-NH2 2.73Å; E406-R419 HydrophobicContact CB-CG 3.95Å; E406-R419 PolarHBondContact O-N 3.2Å; E406-R419 WeakPolarHBondContact OE2-CD 3.49Å; E406-R419 IonicContact OE2-CZ 3.29Å; E406-R419 IonicContact OE2-NE 3.04Å; E406-R419 IonicContact OE2-NH1 3.55Å; E406-R419 PolarHBondContact OE2-NH1 2.98Å; L408-R419 HydrophobicContact CD2-CG 4.11Å; R419-F423 WeakPolarHBondContact O-CB 3.26Å; R419-F423 PolarHBondContact O-N 2.92Å
420	Q	96.1	Very high	96.9	Very high	120 Å²	120	51.6 Å²	51.6	56%	0.561	29%	0.29	S	S	*	.	H	α-helix	trans	-66.7	-44.5	-179.9	-174	61.2	34.9	0	0	112.1	T418 F423 L424	T418-Q420 PolarHBondContact O-N 3.4Å; Q420-F423 PolarHBondContact O-N 3.09Å; Q420-L424 WeakPolarHBondContact O-CG 3.43Å; Q420-L424 PolarHBondContact O-N 3.33Å; Q420-L424 VanDerWaalsContact O-N 3.16Å
421	D	97.6	Very high	96.9	Very high	87 Å²	87	52 Å²	52	47%	0.465	28%	0.277	S	S	.	.	H	α-helix	trans	-66.8	-41.5	179.2	-63.1	-39	0	0	0	111.2	M417 T418 L424 A425	M417-D421 HydrophobicContact CB-CB 4.33Å; T418-D421 PolarHBondContact O-N 3.32Å; T418-D421 PolarHBondContact OG1-N 2.9Å; T418-D421 PolarHBondContact OG1-OD2 3.12Å; D421-L424 PolarHBondContact O-N 3.38Å; D421-A425 WeakPolarHBondContact O-CB 3.36Å; D421-A425 PolarHBondContact O-N 2.86Å
422	A	97.8	Very high	96.8	Very high	0 Å²	0	58.4 Å²	58.4	0%	0	31%	0.307	C	S	.	.	H	α-helix	trans	-63.6	-41.2	176	0	0	0	0	0	111.9	E304 L408 F414 M417 T418 L424 A425 L426	E304-A422 HydrophobicContact CB-CB 3.87Å; L408-A422 HydrophobicContact CD2-CB 3.37Å; L408-A422 HydrophobicContact CG-CB 3.75Å; F414-A422 HydrophobicContact CB-CB 4.47Å; M417-A422 HydrophobicContact CB-CB 4.03Å; T418-A422 WeakPolarHBondContact O-CB 3.16Å; T418-A422 PolarHBondContact O-N 3.5Å; A422-L424 PolarHBondContact O-N 3.37Å; A422-A425 PolarHBondContact O-N 3.37Å; A422-L426 WeakPolarHBondContact O-CB 3.38Å; A422-L426 PolarHBondContact O-N 3.34Å
423	F	97.6	Very high	96.8	Very high	30 Å²	30	60.8 Å²	60.8	13%	0.132	31%	0.307	C	S	.	.	H	α-helix	trans	-56.6	-49.1	174.6	178.4	-82.8	0	0	0	111.4	V277 P303 E304 R419 Q420 T427 V439	V277-F423 VanDerWaalsContact O-CE2 3.3Å; V277-F423 WeakPolarHBondContact O-CE2 3.48Å; P303-F423 HydrophobicContact CG-CD2 3.49Å; P303-F423 VanDerWaalsContact CG-CD2 3.49Å; P303-F423 HydrophobicContact CG-CE2 3.36Å; P303-F423 HydrophobicContact CG-CZ 4.36Å; E304-F423 HydrophobicContact CB-CB 4.15Å; R419-F423 WeakPolarHBondContact O-CB 3.26Å; R419-F423 PolarHBondContact O-N 2.92Å; Q420-F423 PolarHBondContact O-N 3.09Å; F423-T427 HydrophobicContact CD1-CG2 4.44Å; F423-T427 HydrophobicContact CE1-CG2 4.21Å; F423-T427 HydrophobicContact CE2-CG2 4.4Å; F423-T427 HydrophobicContact CZ-CG2 4.19Å; F423-T427 WeakPolarHBondContact O-CB 3.42Å; F423-T427 VanDerWaalsContact O-CG2 3.23Å; F423-T427 WeakPolarHBondContact O-CG2 3.33Å; F423-T427 PolarHBondContact O-N 3.4Å; F423-T427 PolarHBondContact O-OG1 2.84Å; F423-V439 HydrophobicContact CE1-CG2 3.93Å; F423-V439 HydrophobicContact CZ-CG1 4.12Å; F423-V439 HydrophobicContact CZ-CG2 3.9Å
424	L	97.4	Very high	96.7	Very high	93 Å²	93	66.4 Å²	66.4	49%	0.487	33%	0.325	S	S	.	.	H	α-helix	trans	-64	-49	179.8	-67.7	173.9	0	0	0	111.5	Q420 D421 A422 L426 T427 Q428	Q420-L424 WeakPolarHBondContact O-CG 3.43Å; Q420-L424 PolarHBondContact O-N 3.33Å; Q420-L424 VanDerWaalsContact O-N 3.16Å; D421-L424 PolarHBondContact O-N 3.38Å; A422-L424 PolarHBondContact O-N 3.37Å; L424-L426 PolarHBondContact O-N 3.49Å; L424-T427 PolarHBondContact O-OG1 3.03Å; L424-Q428 VanDerWaalsContact O-CB 3.25Å; L424-Q428 WeakPolarHBondContact O-CB 3.41Å; L424-Q428 PolarHBondContact O-N 2.87Å
425	A	97.7	Very high	96.6	Very high	33 Å²	33	66.6 Å²	66.6	27%	0.273	33%	0.326	S	S	.	.	H	α-helix	trans	-64.9	-41	-178.3	0	0	0	0	0	112.2	F414 M417 D421 A422 K429	F414-A425 HydrophobicContact CD1-CB 4.03Å; F414-A425 HydrophobicContact CE1-CB 3.72Å; M417-A425 HydrophobicContact SD-CB 4.26Å; D421-A425 WeakPolarHBondContact O-CB 3.36Å; D421-A425 PolarHBondContact O-N 2.86Å; A422-A425 PolarHBondContact O-N 3.37Å; A425-K429 WeakPolarHBondContact O-CB 3.36Å; A425-K429 PolarHBondContact O-N 3.29Å
426	L	97.4	Very high	96.4	Very high	0 Å²	0	63.6 Å²	63.6	0%	0	31%	0.311	C	S	.	.	H	α-helix	trans	-72.3	-46.9	-177	-171.5	143	0	0	0	112.2	P303 I306 L351 F414 A422 L424 Q428 K429 A430	P303-L426 HydrophobicContact CB-CD2 4.13Å; P303-L426 WeakPolarHBondContact O-CD1 3.25Å; P303-L426 WeakPolarHBondContact O-CD2 3.37Å; I306-L426 HydrophobicContact CG2-CD1 3.47Å; I306-L426 VanDerWaalsContact CG2-CD1 3.47Å; L351-L426 HydrophobicContact CD2-CD1 4.4Å; L351-L426 HydrophobicContact CD2-CD2 3.74Å; L351-L426 HydrophobicContact CD2-CG 3.88Å; F414-L426 HydrophobicContact CD1-CB 4.49Å; F414-L426 HydrophobicContact CD2-CD1 4.15Å; F414-L426 HydrophobicContact CE1-CB 3.98Å; F414-L426 HydrophobicContact CE2-CB 4.44Å; F414-L426 HydrophobicContact CE2-CD1 3.89Å; F414-L426 HydrophobicContact CE2-CG 4.28Å; F414-L426 HydrophobicContact CZ-CB 3.94Å; F414-L426 HydrophobicContact CZ-CD1 4.23Å; F414-L426 HydrophobicContact CZ-CG 4.15Å; A422-L426 WeakPolarHBondContact O-CB 3.38Å; A422-L426 PolarHBondContact O-N 3.34Å; L424-L426 PolarHBondContact O-N 3.49Å; L426-Q428 VanDerWaalsContact C-N 3.28Å; L426-Q428 PolarHBondContact O-N 2.88Å; L426-K429 PolarHBondContact O-N 2.92Å; L426-A430 WeakPolarHBondContact O-CB 3.35Å; L426-A430 PolarHBondContact O-N 2.92Å
427	T	97.3	Very high	96.4	Very high	1 Å²	1	61.4 Å²	61.4	1%	0.006	29%	0.289	C	S	.	.	H	α-helix	trans	-63.2	-38.3	177.1	58.4	0	0	0	0	110.9	P303 F423 L424 A430 R431 G437 V439	P303-T427 HydrophobicContact CB-CG2 4.43Å; P303-T427 HydrophobicContact CG-CG2 4.04Å; F423-T427 HydrophobicContact CD1-CG2 4.44Å; F423-T427 HydrophobicContact CE1-CG2 4.21Å; F423-T427 HydrophobicContact CE2-CG2 4.4Å; F423-T427 HydrophobicContact CZ-CG2 4.19Å; F423-T427 WeakPolarHBondContact O-CB 3.42Å; F423-T427 VanDerWaalsContact O-CG2 3.23Å; F423-T427 WeakPolarHBondContact O-CG2 3.33Å; F423-T427 PolarHBondContact O-N 3.4Å; F423-T427 PolarHBondContact O-OG1 2.84Å; L424-T427 PolarHBondContact O-OG1 3.03Å; T427-A430 PolarHBondContact O-N 3.04Å; T427-R431 WeakPolarHBondContact O-CG 3.43Å; T427-R431 PolarHBondContact O-N 2.95Å; T427-R431 VanDerWaalsContact O-N 3.08Å; T427-R431 PolarHBondContact O-NH1 3.34Å; T427-R431 PolarHBondContact OG1-NH1 2.87Å; T427-G437 WeakPolarHBondContact CB-O 3.4Å; T427-V439 HydrophobicContact CG2-CG2 4.4Å
428	Q	96.9	Very high	96.3	Very high	98 Å²	98	60.5 Å²	60.5	46%	0.458	29%	0.285	S	S	.	.	H	α-helix	trans	-60.2	-50.5	171.4	178.2	175.6	-4.4	0	0	111.9	L424 L426 A430 R431 E432	L424-Q428 VanDerWaalsContact O-CB 3.25Å; L424-Q428 WeakPolarHBondContact O-CB 3.41Å; L424-Q428 PolarHBondContact O-N 2.87Å; L426-Q428 VanDerWaalsContact C-N 3.28Å; L426-Q428 PolarHBondContact O-N 2.88Å; Q428-A430 VanDerWaalsContact C-N 3.28Å; Q428-A430 PolarHBondContact O-N 2.86Å; Q428-R431 PolarHBondContact O-N 3.26Å; Q428-R431 VanDerWaalsContact O-N 3.14Å; Q428-E432 HydrophobicContact CG-CG 4.45Å; Q428-E432 WeakPolarHBondContact CG-OE1 3.36Å; Q428-E432 PolarHBondContact NE2-OE1 3.4Å; Q428-E432 WeakPolarHBondContact O-CG 3.46Å; Q428-E432 PolarHBondContact O-N 2.91Å
429	K	97.4	Very high	96.4	Very high	58 Å²	58	58.4 Å²	58.4	25%	0.252	27%	0.272	S	S	.	.	H	α-helix	trans	-60	-38.6	179.6	-172.3	174.8	-174	170.4	0	112.3	L351 E413 F414 A425 L426 E432 K433	L351-K429 HydrophobicContact CD1-CD 4.31Å; L351-K429 HydrophobicContact CD1-CG 4.03Å; E413-K429 VanDerWaalsContact CD-NZ 3.27Å; E413-K429 IonicContact OE1-NZ 3.19Å; E413-K429 PolarHBondContact OE1-NZ 2.93Å; E413-K429 IonicContact OE2-NZ 2.79Å; F414-K429 HydrophobicContact CZ-CD 3.9Å; A425-K429 WeakPolarHBondContact O-CB 3.36Å; A425-K429 PolarHBondContact O-N 3.29Å; L426-K429 PolarHBondContact O-N 2.92Å; K429-E432 PolarHBondContact O-N 3.48Å; K429-K433 WeakPolarHBondContact O-CB 3.21Å; K429-K433 WeakPolarHBondContact O-CG 3.49Å; K429-K433 PolarHBondContact O-N 3.24Å
430	A	97	Very high	96.4	Very high	0 Å²	0	55.2 Å²	55.2	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-63.4	-43.1	175.7	0	0	0	0	0	112.2	L281 L351 L426 T427 Q428 K433 R434 V435 G436	L281-A430 HydrophobicContact CD2-CB 3.7Å; L351-A430 HydrophobicContact CD1-CB 4.42Å; L351-A430 HydrophobicContact CD2-CB 4.05Å; L426-A430 WeakPolarHBondContact O-CB 3.35Å; L426-A430 PolarHBondContact O-N 2.92Å; T427-A430 PolarHBondContact O-N 3.04Å; Q428-A430 VanDerWaalsContact C-N 3.28Å; Q428-A430 PolarHBondContact O-N 2.86Å; A430-K433 CarbonylContact O-C 3.47Å; A430-K433 PolarHBondContact O-N 2.9Å; A430-R434 PolarHBondContact O-N 3.03Å; A430-V435 HydrophobicContact CB-CG2 4.32Å; A430-V435 PolarHBondContact O-N 3.01Å; A430-G436 CarbonylContact C-O 3.54Å
431	R	94.8	Very high	96.4	Very high	99 Å²	99	49.5 Å²	49.5	37%	0.374	23%	0.233	S	C	.	.	H	α-helix	trans	-64.1	-44.9	175.7	-71.3	-173	-59.1	-92.3	2.2	111.9	T427 Q428 K433 R434 G436 G437 D438	T427-R431 WeakPolarHBondContact O-CG 3.43Å; T427-R431 PolarHBondContact O-N 2.95Å; T427-R431 VanDerWaalsContact O-N 3.08Å; T427-R431 PolarHBondContact O-NH1 3.34Å; T427-R431 PolarHBondContact OG1-NH1 2.87Å; Q428-R431 PolarHBondContact O-N 3.26Å; Q428-R431 VanDerWaalsContact O-N 3.14Å; R431-K433 VanDerWaalsContact C-N 3.29Å; R431-K433 PolarHBondContact O-N 3.3Å; R431-R434 PolarHBondContact O-N 3.41Å; R431-G436 WeakPolarHBondContact CA-O 3.19Å; R431-G436 PolarHBondContact N-O 3.14Å; R431-G436 VanDerWaalsContact N-O 3.12Å; R431-G437 PolarHBondContact NH1-O 3.37Å; R431-D438 WeakPolarHBondContact CD-OD1 3.28Å; R431-D438 WeakPolarHBondContact CG-OD1 3.34Å
432	E	95.1	Very high	96.2	Very high	133 Å²	133	47.7 Å²	47.7	62%	0.621	22%	0.224	S	C	*	.	H	α-helix	trans	-59.8	-39.8	176.9	-72.9	172.6	-175.8	0	0	112.1	Q428 K429 R434	Q428-E432 HydrophobicContact CG-CG 4.45Å; Q428-E432 WeakPolarHBondContact CG-OE1 3.36Å; Q428-E432 PolarHBondContact NE2-OE1 3.4Å; Q428-E432 WeakPolarHBondContact O-CG 3.46Å; Q428-E432 PolarHBondContact O-N 2.91Å; K429-E432 PolarHBondContact O-N 3.48Å; E432-R434 VanDerWaalsContact C-N 3.29Å; E432-R434 PolarHBondContact O-N 2.89Å
433	K	95.1	Very high	95.9	Very high	103 Å²	103	51 Å²	51	45%	0.448	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.3	-7.3	174.8	-75.2	-171.7	175.6	-173.4	0	114.2	L351 K429 A430 R431 V435	L351-K433 HydrophobicContact CD1-CD 3.92Å; L351-K433 PolarHBondContact O-NZ 3.37Å; K429-K433 WeakPolarHBondContact O-CB 3.21Å; K429-K433 WeakPolarHBondContact O-CG 3.49Å; K429-K433 PolarHBondContact O-N 3.24Å; A430-K433 CarbonylContact O-C 3.47Å; A430-K433 PolarHBondContact O-N 2.9Å; R431-K433 VanDerWaalsContact C-N 3.29Å; R431-K433 PolarHBondContact O-N 3.3Å; K433-V435 VanDerWaalsContact C-N 3.34Å; K433-V435 HydrophobicContact CB-CG1 4.38Å; K433-V435 HydrophobicContact CB-CG2 3.85Å; K433-V435 PolarHBondContact O-N 3.17Å
434	R	92.8	Very high	95.6	Very high	213 Å²	213	49.9 Å²	49.9	80%	0.804	23%	0.234	S	C	*	.	T	Hydrogen-bonded Turn	trans	56.2	43.6	-175.6	-53.2	-178.9	-178	-171.5	-1.9	113.2	A430 R431 E432	A430-R434 PolarHBondContact O-N 3.03Å; R431-R434 PolarHBondContact O-N 3.41Å; E432-R434 VanDerWaalsContact C-N 3.29Å; E432-R434 PolarHBondContact O-N 2.89Å
435	V	95.1	Very high	95.2	Very high	10 Å²	10	50.1 Å²	50.1	6%	0.061	23%	0.231	C	C	.	.	S	Bend	trans	-120.7	24.4	179.6	-63.8	0	0	0	0	112.1	L281 D282 M350 L351 A430 K433	L281-V435 WeakPolarHBondContact CA-O 3.18Å; D282-V435 HydrophobicContact CB-CB 4.34Å; D282-V435 PolarHBondContact N-O 2.82Å; M350-V435 HydrophobicContact CB-CB 4.02Å; M350-V435 HydrophobicContact CB-CG1 3.59Å; M350-V435 HydrophobicContact SD-CG1 4.49Å; L351-V435 HydrophobicContact CB-CG2 4.04Å; L351-V435 HydrophobicContact CD1-CG2 4.34Å; A430-V435 HydrophobicContact CB-CG2 4.32Å; A430-V435 PolarHBondContact O-N 3.01Å; K433-V435 VanDerWaalsContact C-N 3.34Å; K433-V435 HydrophobicContact CB-CG1 4.38Å; K433-V435 HydrophobicContact CB-CG2 3.85Å; K433-V435 PolarHBondContact O-N 3.17Å
436	G	94.7	Very high	95	Very high	14 Å²	14	49.8 Å²	49.8	14%	0.144	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	108.6	-148.8	-175.5	0	0	0	0	0	112.6	H280 A430 R431	H280-G436 CarbonylContact O-C 3.51Å; H280-G436 VanDerWaalsContact O-CA 3.23Å; H280-G436 WeakPolarHBondContact O-CA 3.3Å; A430-G436 CarbonylContact C-O 3.54Å; R431-G436 WeakPolarHBondContact CA-O 3.19Å; R431-G436 PolarHBondContact N-O 3.14Å; R431-G436 VanDerWaalsContact N-O 3.12Å
437	G	96.1	Very high	94.8	Very high	0 Å²	0	50 Å²	50	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	88.5	2.4	178	0	0	0	0	0	115.6	H280 T427 R431 V439	H280-G437 PolarHBondContact O-N 2.82Å; T427-G437 WeakPolarHBondContact CB-O 3.4Å; R431-G437 PolarHBondContact NH1-O 3.37Å; G437-V439 PolarHBondContact O-N 3.37Å
438	D	96.6	Very high	94.6	Very high	45 Å²	45	50.7 Å²	50.7	24%	0.241	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	124.8	170.5	-57.6	-52.6	0	0	0	109.6	A247 C279 R431 T440	A247-D438 HydrophobicContact CB-CB 4.19Å; C279-D438 WeakPolarHBondContact CB-O 3.44Å; R431-D438 WeakPolarHBondContact CD-OD1 3.28Å; R431-D438 WeakPolarHBondContact CG-OD1 3.34Å; D438-T440 PolarHBondContact O-N 2.81Å
439	V	97.6	Very high	94.4	Very high	21 Å²	21	46 Å²	46	13%	0.127	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	121.6	-176	-177.3	0	0	0	0	109.4	K250 C276 G278 F423 T427 G437	K250-V439 HydrophobicContact CB-CB 3.97Å; K250-V439 HydrophobicContact CB-CG1 4.11Å; K250-V439 WeakPolarHBondContact CB-O 2.98Å; K250-V439 HydrophobicContact CD-CG1 4.41Å; K250-V439 HydrophobicContact CG-CB 4.26Å; K250-V439 HydrophobicContact CG-CG1 4.16Å; K250-V439 PolarHBondContact N-O 3.01Å; C276-V439 HydrophobicContact CB-CG1 4.21Å; C276-V439 VanDerWaalsContact O-CG1 3.3Å; C276-V439 WeakPolarHBondContact O-CG1 3.1Å; G278-V439 CarbonylContact O-C 3.59Å; G278-V439 VanDerWaalsContact O-CA 3.3Å; G278-V439 WeakPolarHBondContact O-CA 3.14Å; F423-V439 HydrophobicContact CE1-CG2 3.93Å; F423-V439 HydrophobicContact CZ-CG1 4.12Å; F423-V439 HydrophobicContact CZ-CG2 3.9Å; T427-V439 HydrophobicContact CG2-CG2 4.4Å; G437-V439 PolarHBondContact O-N 3.37Å
440	T	96.6	Very high	94.2	Very high	1 Å²	1	43.3 Å²	43.3	1%	0.006	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.2	173.2	-174.3	-172	0	0	0	0	110.7	A249 C276 V277 G278 Y299 D438	A249-T440 WeakPolarHBondContact CB-OG1 2.95Å; C276-T440 WeakPolarHBondContact CA-O 3.37Å; V277-T440 PolarHBondContact N-O 3.11Å; G278-T440 CarbonylContact C-O 3.6Å; G278-T440 PolarHBondContact N-O 2.93Å; G278-T440 PolarHBondContact O-N 3.4Å; G278-T440 VanDerWaalsContact O-O 3.04Å; Y299-T440 HydrophobicContact CE2-CG2 4.34Å; D438-T440 PolarHBondContact O-N 2.81Å
441	S	95.4	Very high	93.8	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	20%	0.196	C	C	.	.			trans	-91.1	170.7	170.8	76.5	0	0	0	0	112	I273 D275 K443 L444	I273-S441 WeakPolarHBondContact O-CB 3.47Å; I273-S441 PolarHBondContact O-OG 2.83Å; D275-S441 VanDerWaalsContact O-CA 3.28Å; D275-S441 WeakPolarHBondContact O-CA 3.1Å; D275-S441 WeakPolarHBondContact O-CB 3.4Å; S441-K443 VanDerWaalsContact C-N 3.29Å; S441-K443 PolarHBondContact OG-N 3.18Å; S441-K443 VanDerWaalsContact OG-N 3.1Å; S441-L444 PolarHBondContact OG-N 3Å
442	D	92.9	Very high	93.6	Very high	49 Å²	49	39.7 Å²	39.7	26%	0.262	18%	0.182	S	C	.	.	S	Bend	trans	-77	-11.4	167.8	62.4	-16	0	0	0	113.8	Y299 S369 L370	Y299-D442 HydrophobicContact CD1-CB 4.28Å; Y299-D442 HydrophobicContact CE1-CB 3.85Å; S369-D442 WeakPolarHBondContact CB-O 3.46Å; S369-D442 PolarHBondContact N-O 2.97Å; S369-D442 PolarHBondContact OG-O 3.5Å; L370-D442 HydrophobicContact CD1-CB 3.78Å; L370-D442 HydrophobicContact CD2-CB 4.28Å; L370-D442 HydrophobicContact CG-CB 3.95Å
443	K	91.8	Very high	93.2	Very high	69 Å²	69	34.1 Å²	34.1	30%	0.3	16%	0.155	S	C	.	.	S	Bend	trans	-95.3	-37	-174.5	-174.5	179.2	-179.9	177.7	0	113.9	H271 S369 S441	H271-K443 PolarHBondContact CD2-NZ 3.36Å; H271-K443 PolarHBondContact CE1-NZ 2.96Å; H271-K443 PolarHBondContact NE2-NZ 3.37Å; H271-K443 WeakPolarHBondContact O-CD 3.45Å; H271-K443 WeakPolarHBondContact O-CE 3.06Å; H271-K443 PolarHBondContact O-NZ 2.97Å; S369-K443 VanDerWaalsContact CB-O 3.22Å; S369-K443 WeakPolarHBondContact CB-O 3.46Å; S369-K443 VanDerWaalsContact OG-C 3.31Å; S369-K443 PolarHBondContact OG-O 3.16Å; S441-K443 VanDerWaalsContact C-N 3.29Å; S441-K443 PolarHBondContact OG-N 3.18Å; S441-K443 VanDerWaalsContact OG-N 3.1Å
444	L	91.9	Very high	92.9	Very high	8 Å²	8	29.4 Å²	29.4	4%	0.042	14%	0.135	C	C	.	.	P	Polyproline II helix	trans	-74.7	131.2	-174.1	-177	65.7	0	0	0	110.4	T246 A249 S441 F569	T246-L444 HydrophobicContact CG2-CB 4.33Å; T246-L444 HydrophobicContact CG2-CD2 4.16Å; T246-L444 HydrophobicContact CG2-CG 4.06Å; T246-L444 WeakPolarHBondContact CG2-O 3.21Å; A249-L444 HydrophobicContact CB-CD2 3.63Å; S441-L444 PolarHBondContact OG-N 3Å; L444-F569 HydrophobicContact CD1-CE1 4.39Å; L444-F569 HydrophobicContact CD1-CZ 3.87Å; L444-F569 HydrophobicContact CD2-CZ 4.07Å
445	K	89.4	Confident	92.9	Very high	98 Å²	98	19.7 Å²	19.7	43%	0.426	10%	0.098	S	C	.	.	P	Polyproline II helix	trans	-101.7	150.3	173.1	-65	-176.3	-177.4	-170.9	0	111	N217 T245 S369	N217-K445 VanDerWaalsContact ND2-CD 3.28Å; N217-K445 WeakPolarHBondContact ND2-CD 3.23Å; T245-K445 PolarHBondContact OG1-O 2.98Å; S369-K445 WeakPolarHBondContact OG-CG 3.34Å
446	D	92.1	Very high	92.9	Very high	25 Å²	25	19.2 Å²	19.2	13%	0.134	10%	0.096	C	C	.	.	P	Polyproline II helix	trans	-64.5	146.3	167.5	-75.2	-20.4	0	0	0	111.3	Y199 F242 I243 K244 T245 T246 L448	Y199-D446 WeakPolarHBondContact CE1-OD2 3.5Å; Y199-D446 PolarHBondContact OH-OD2 3.06Å; F242-D446 HydrophobicContact CB-CB 4.37Å; F242-D446 HydrophobicContact CD1-CB 4.28Å; I243-D446 WeakPolarHBondContact O-CB 3.41Å; K244-D446 VanDerWaalsContact CA-OD1 3.27Å; K244-D446 WeakPolarHBondContact CA-OD1 3.06Å; T245-D446 PolarHBondContact N-OD1 2.74Å; T246-D446 WeakPolarHBondContact CB-OD1 3.3Å; T246-D446 VanDerWaalsContact CG2-OD1 3.24Å; T246-D446 WeakPolarHBondContact CG2-OD1 3.33Å; T246-D446 PolarHBondContact N-OD1 3.45Å; T246-D446 PolarHBondContact OG1-OD1 3.24Å; D446-L448 PolarHBondContact O-N 3.47Å
447	W	93.3	Very high	93.1	Very high	5 Å²	5	18.6 Å²	18.6	2%	0.019	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	113.3	-173.2	175.4	19.3	0	0	0	111.6	F242 I243 T245 I449 F523 V524 A527 Y570 F574	F242-W447 CarbonylContact C-O 3.34Å; F242-W447 WeakPolarHBondContact CA-O 3.32Å; I243-W447 HydrophobicContact CB-CB 4.36Å; I243-W447 HydrophobicContact CB-CE3 4.29Å; I243-W447 HydrophobicContact CD1-CD2 4.48Å; I243-W447 HydrophobicContact CD1-CE3 3.87Å; I243-W447 HydrophobicContact CD1-CZ3 4.06Å; I243-W447 PolarHBondContact N-O 3.22Å; I243-W447 PolarHBondContact O-N 3.31Å; T245-W447 HydrophobicContact CG2-CB 3.77Å; T245-W447 HydrophobicContact CG2-CE3 4.27Å; T245-W447 PolarHBondContact OG1-N 2.74Å; W447-I449 HydrophobicContact CD2-CG2 3.72Å; W447-I449 HydrophobicContact CE3-CG2 4.35Å; W447-I449 HydrophobicContact CG-CG2 3.9Å; W447-I449 HydrophobicContact CZ2-CG2 4.17Å; W447-I449 PolarHBondContact O-N 3.14Å; W447-F523 HydrophobicContact CH2-CB 4.14Å; W447-F523 HydrophobicContact CZ2-CB 3.59Å; W447-V524 HydrophobicContact CH2-CB 4.16Å; W447-V524 HydrophobicContact CH2-CG2 3.65Å; W447-V524 HydrophobicContact CZ2-CB 4.34Å; W447-V524 HydrophobicContact CZ2-CG2 3.48Å; W447-V524 VanDerWaalsContact CZ2-CG2 3.48Å; W447-V524 HydrophobicContact CZ3-CG2 4.48Å; W447-A527 HydrophobicContact CH2-CB 4.32Å; W447-Y570 HydrophobicContact CB-CE1 3.96Å; W447-Y570 AromaticContact CD1-CE1 3.9Å; W447-Y570 AromaticContact CD1-CZ 3.75Å; W447-Y570 AromaticContact CD2-CD1 3.6Å; W447-Y570 HydrophobicContact CD2-CD1 3.6Å; W447-Y570 AromaticContact CD2-CE1 3.43Å; W447-Y570 HydrophobicContact CD2-CE1 3.43Å; W447-Y570 VanDerWaalsContact CD2-CE1 3.43Å; W447-Y570 HydrophobicContact CD2-CE2 4.45Å; W447-Y570 HydrophobicContact CD2-CG 4.22Å; W447-Y570 AromaticContact CD2-CZ 3.89Å; W447-Y570 AromaticContact CE2-CE1 3.84Å; W447-Y570 AromaticContact CE2-CZ 3.82Å; W447-Y570 AromaticContact CE3-CD1 3.4Å; W447-Y570 HydrophobicContact CE3-CD1 3.4Å; W447-Y570 VanDerWaalsContact CE3-CD1 3.4Å; W447-Y570 AromaticContact CE3-CE1 3.73Å; W447-Y570 HydrophobicContact CE3-CE1 3.73Å; W447-Y570 AromaticContact CE3-CG 3.99Å; W447-Y570 HydrophobicContact CE3-CG 3.99Å; W447-Y570 HydrophobicContact CG-CD1 4.18Å; W447-Y570 AromaticContact CG-CE1 3.53Å; W447-Y570 HydrophobicContact CG-CE1 3.53Å; W447-Y570 AromaticContact CG-CZ 3.89Å; W447-Y570 HydrophobicContact CH2-CD1 4.05Å; W447-Y570 HydrophobicContact CH2-CD2 4.11Å; W447-Y570 AromaticContact CH2-CG 3.75Å; W447-Y570 HydrophobicContact CH2-CG 3.75Å; W447-Y570 HydrophobicContact CZ2-CD1 4.28Å; W447-Y570 HydrophobicContact CZ2-CD2 4.01Å; W447-Y570 HydrophobicContact CZ2-CE1 4.49Å; W447-Y570 HydrophobicContact CZ2-CE2 4.2Å; W447-Y570 HydrophobicContact CZ2-CG 4.05Å; W447-Y570 AromaticContact CZ3-CD1 3.61Å; W447-Y570 HydrophobicContact CZ3-CD1 3.61Å; W447-Y570 HydrophobicContact CZ3-CD2 4.49Å; W447-Y570 HydrophobicContact CZ3-CE1 4.32Å; W447-Y570 AromaticContact CZ3-CG 3.72Å; W447-Y570 HydrophobicContact CZ3-CG 3.72Å; W447-Y570 AromaticContact NE1-CZ 3.75Å; W447-F574 HydrophobicContact CH2-CE2 4.32Å; W447-F574 HydrophobicContact CZ3-CD2 4.27Å; W447-F574 AromaticContact CZ3-CE2 3.79Å; W447-F574 HydrophobicContact CZ3-CE2 3.79Å
448	L	93	Very high	93.1	Very high	16 Å²	16	18.6 Å²	18.6	8%	0.084	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	110.8	174.1	-164.6	168.7	0	0	0	111	V205 V214 Q240 F242 D446 R451	V205-L448 HydrophobicContact CB-CD1 4.08Å; V205-L448 HydrophobicContact CG1-CD1 3.49Å; V205-L448 VanDerWaalsContact CG1-CD1 3.49Å; V214-L448 HydrophobicContact CB-CD2 4.47Å; V214-L448 HydrophobicContact CG1-CD1 3.64Å; V214-L448 HydrophobicContact CG1-CD2 3.56Å; V214-L448 HydrophobicContact CG1-CG 4.3Å; Q240-L448 HydrophobicContact CB-CD2 4.34Å; Q240-L448 HydrophobicContact CB-CG 4.29Å; F242-L448 HydrophobicContact CD1-CB 3.91Å; F242-L448 HydrophobicContact CD1-CG 4.29Å; F242-L448 HydrophobicContact CE1-CB 3.56Å; F242-L448 HydrophobicContact CE1-CD1 3.88Å; F242-L448 HydrophobicContact CE1-CG 3.7Å; F242-L448 HydrophobicContact CE2-CG 4.46Å; F242-L448 HydrophobicContact CZ-CB 4.2Å; F242-L448 HydrophobicContact CZ-CD1 3.75Å; F242-L448 HydrophobicContact CZ-CG 3.79Å; D446-L448 PolarHBondContact O-N 3.47Å; L448-R451 VanDerWaalsContact CD2-NH1 3.32Å; L448-R451 PolarHBondContact O-NH1 3.49Å; L448-R451 PolarHBondContact O-NH2 3.32Å
449	I	93.8	Very high	93.2	Very high	0 Å²	0	16.6 Å²	16.6	0%	0	8%	0.078	C	C	.	.			trans	-103	-19.1	-174.8	65.7	162.2	0	0	0	114.9	F189 W241 I243 W447 R451 M520 D521 V524	F189-I449 HydrophobicContact CD2-CD1 3.78Å; F189-I449 HydrophobicContact CE2-CD1 3.48Å; F189-I449 VanDerWaalsContact CE2-CD1 3.48Å; W241-I449 HydrophobicContact CB-CD1 4.26Å; W241-I449 HydrophobicContact CB-CG1 3.86Å; W241-I449 WeakPolarHBondContact O-CG1 3.47Å; W241-I449 PolarHBondContact O-N 2.83Å; I243-I449 HydrophobicContact CD1-CD1 4.26Å; I243-I449 HydrophobicContact CD1-CG2 3.71Å; I243-I449 HydrophobicContact CG1-CD1 4.17Å; I243-I449 HydrophobicContact CG1-CG2 3.89Å; W447-I449 HydrophobicContact CD2-CG2 3.72Å; W447-I449 HydrophobicContact CE3-CG2 4.35Å; W447-I449 HydrophobicContact CG-CG2 3.9Å; W447-I449 HydrophobicContact CZ2-CG2 4.17Å; W447-I449 PolarHBondContact O-N 3.14Å; I449-R451 PolarHBondContact O-N 2.83Å; I449-M520 HydrophobicContact CD1-CG 4.18Å; I449-M520 CarbonylContact O-C 3.19Å; I449-M520 WeakPolarHBondContact O-CA 3.36Å; I449-D521 PolarHBondContact O-N 3.35Å; I449-V524 HydrophobicContact CB-CG2 4.06Å; I449-V524 HydrophobicContact CG2-CG2 3.71Å
450	S	92.5	Very high	93.3	Very high	0 Å²	0	15.6 Å²	15.6	0%	0	7%	0.072	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.4	132.8	-179.9	-88.3	0	0	0	0	112.4	W241 D518	W241-S450 PolarHBondContact N-OG 2.95Å; S450-D518 WeakPolarHBondContact CB-OD2 3.34Å; S450-D518 PolarHBondContact OG-OD2 3.2Å
451	R	89.4	Confident	93.3	Very high	7 Å²	7	15.7 Å²	15.7	3%	0.026	7%	0.072	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	131.9	171.1	-59.5	-64.4	175.8	-93.9	2.8	109.8	V214 L448 I449 R453 D518 T519 D521	V214-R451 WeakPolarHBondContact O-CD 3.21Å; L448-R451 VanDerWaalsContact CD2-NH1 3.32Å; L448-R451 PolarHBondContact O-NH1 3.49Å; L448-R451 PolarHBondContact O-NH2 3.32Å; I449-R451 PolarHBondContact O-N 2.83Å; R451-R453 HydrophobicContact CB-CB 4.31Å; R451-R453 HydrophobicContact CB-CG 4.18Å; R451-R453 PolarHBondContact O-N 3.07Å; R451-D518 WeakPolarHBondContact O-CA 3.44Å; R451-T519 PolarHBondContact N-O 3.06Å; R451-T519 PolarHBondContact O-N 2.99Å; R451-T519 PolarHBondContact O-OG1 2.77Å; R451-D521 HydrophobicContact CG-CB 4.16Å; R451-D521 IonicContact CZ-OD2 2.69Å; R451-D521 IonicContact NE-OD2 3.95Å; R451-D521 PolarHBondContact NE-OD2 2.75Å; R451-D521 IonicContact NH2-OD2 2.74Å; R451-D521 PolarHBondContact NH2-OD2 3.19Å
452	Q	89.6	Confident	93.5	Very high	17 Å²	17	15.8 Å²	15.8	8%	0.079	7%	0.073	C	C	.	.			trans	-84.3	51.6	179.2	-67.3	68.2	51.2	0	0	110.4	V214 Q240 S493 D518	V214-Q452 VanDerWaalsContact CG2-OE1 3.29Å; V214-Q452 VanDerWaalsContact N-OE1 3.14Å; Q240-Q452 VanDerWaalsContact NE2-NE2 3.13Å; Q452-S493 WeakPolarHBondContact O-CA 3.18Å; Q452-D518 WeakPolarHBondContact CG-OD1 3.35Å; Q452-D518 VanDerWaalsContact NE2-CG 3.32Å; Q452-D518 PolarHBondContact NE2-OD1 2.88Å; Q452-D518 PolarHBondContact NE2-OD2 3.4Å
453	R	87.2	Confident	93.7	Very high	15 Å²	15	16 Å²	16	6%	0.057	7%	0.072	C	C	.	.			trans	-132	154.1	-167.9	-60.5	-62	-64.7	-123.9	-11.3	110	L133 E136 N137 D211 R451 T519	L133-R453 HydrophobicContact CD2-CG 3.76Å; E136-R453 IonicContact OE1-NE 3.13Å; E136-R453 IonicContact OE2-CZ 3.44Å; E136-R453 IonicContact OE2-NE 3.81Å; E136-R453 PolarHBondContact OE2-NE 3.22Å; E136-R453 IonicContact OE2-NH2 2.69Å; E136-R453 PolarHBondContact OE2-NH2 3.05Å; N137-R453 PolarHBondContact OD1-NH1 2.78Å; N137-R453 PolarHBondContact OD1-NH2 2.75Å; D211-R453 PolarHBondContact O-NH1 3.43Å; R451-R453 HydrophobicContact CB-CB 4.31Å; R451-R453 HydrophobicContact CB-CG 4.18Å; R451-R453 PolarHBondContact O-N 3.07Å; R453-T519 VanDerWaalsContact O-CG2 3.27Å; R453-T519 WeakPolarHBondContact O-CG2 3.4Å; R453-T519 PolarHBondContact O-OG1 3.42Å
454	Y	90.1	Very high	93.9	Very high	4 Å²	4	13.1 Å²	13.1	2%	0.016	6%	0.061	C	C	.	.	S	Bend	trans	-83.2	-45.3	-178.7	165	-103.6	0	0	0	111.7	E136 H145 P146 G456 L481 P482 I484 F487 L495	E136-Y454 WeakPolarHBondContact OE1-CB 3.39Å; E136-Y454 PolarHBondContact OE1-N 3.46Å; H145-Y454 AromaticContact NE2-CE1 3.98Å; H145-Y454 PolarHBondContact NE2-OH 3.29Å; P146-Y454 HydrophobicContact CG-CD1 4.38Å; Y454-G456 VanDerWaalsContact C-N 3.32Å; Y454-G456 PolarHBondContact O-N 3.39Å; Y454-L481 HydrophobicContact CD2-CD2 4.37Å; Y454-L481 HydrophobicContact CE2-CB 4.44Å; Y454-L481 HydrophobicContact CE2-CD2 4.34Å; Y454-L481 VanDerWaalsContact O-CD2 3.25Å; Y454-L481 WeakPolarHBondContact O-CD2 3.32Å; Y454-P482 VanDerWaalsContact CE2-O 3.28Å; Y454-P482 WeakPolarHBondContact CE2-O 3.41Å; Y454-P482 PolarHBondContact OH-O 3.35Å; Y454-I484 HydrophobicContact CD2-CD1 3.78Å; Y454-I484 HydrophobicContact CD2-CG1 4.42Å; Y454-I484 HydrophobicContact CE2-CB 4.34Å; Y454-I484 HydrophobicContact CE2-CD1 3.85Å; Y454-I484 HydrophobicContact CE2-CG1 4.01Å; Y454-F487 AromaticContact CD1-CD1 3.95Å; Y454-F487 HydrophobicContact CD1-CD1 3.95Å; Y454-F487 AromaticContact CD1-CE1 3.15Å; Y454-F487 HydrophobicContact CD1-CE1 3.15Å; Y454-F487 AromaticContact CD1-CZ 3.64Å; Y454-F487 HydrophobicContact CD1-CZ 3.64Å; Y454-F487 AromaticContact CD2-CE1 3.95Å; Y454-F487 HydrophobicContact CD2-CE1 3.95Å; Y454-F487 HydrophobicContact CE1-CD1 4.49Å; Y454-F487 AromaticContact CE1-CE1 3.37Å; Y454-F487 HydrophobicContact CE1-CE1 3.37Å; Y454-F487 HydrophobicContact CE1-CE2 4.45Å; Y454-F487 AromaticContact CE1-CZ 3.33Å; Y454-F487 HydrophobicContact CE1-CZ 3.33Å; Y454-F487 HydrophobicContact CE2-CE1 4.15Å; Y454-F487 HydrophobicContact CE2-CZ 4.43Å; Y454-F487 HydrophobicContact CG-CD1 4.17Å; Y454-F487 AromaticContact CG-CE1 3.43Å; Y454-F487 HydrophobicContact CG-CE1 3.43Å; Y454-F487 VanDerWaalsContact CG-CE1 3.43Å; Y454-F487 HydrophobicContact CG-CZ 4.27Å; Y454-F487 AromaticContact CZ-CE1 3.86Å; Y454-F487 AromaticContact CZ-CZ 3.77Å; Y454-L495 HydrophobicContact CD2-CD2 3.69Å; Y454-L495 HydrophobicContact CD2-CG 4.28Å; Y454-L495 HydrophobicContact CE2-CD2 4.11Å
455	W	92.4	Very high	94.1	Very high	9 Å²	9	18.7 Å²	18.7	3%	0.034	10%	0.098	C	C	.	.	S	Bend	trans	-84.8	69.7	-170.5	-160.1	-114.6	0	0	0	113.1	A130 F131 G132 E136 P146 E147 C177 L481	A130-W455 PolarHBondContact O-NE1 3.4Å; F131-W455 AromaticContact CD1-CD1 3.93Å; F131-W455 AromaticContact CD1-CD2 3.97Å; F131-W455 HydrophobicContact CD1-CD2 3.97Å; F131-W455 AromaticContact CD1-CE2 3.87Å; F131-W455 HydrophobicContact CD1-CG 4.02Å; F131-W455 HydrophobicContact CD1-CZ2 4.39Å; F131-W455 AromaticContact CD1-NE1 3.85Å; F131-W455 HydrophobicContact CE1-CD2 4.01Å; F131-W455 HydrophobicContact CE1-CE3 4.2Å; F131-W455 HydrophobicContact CE1-CG 4.47Å; F131-W455 HydrophobicContact CE1-CH2 4.36Å; F131-W455 HydrophobicContact CE1-CZ2 4.22Å; F131-W455 HydrophobicContact CE1-CZ3 4.37Å; G132-W455 WeakPolarHBondContact CA-O 3.06Å; G132-W455 PolarHBondContact N-O 3.39Å; E136-W455 HydrophobicContact CB-CB 3.79Å; E136-W455 HydrophobicContact CB-CG 4.48Å; E136-W455 HydrophobicContact CG-CB 3.78Å; E136-W455 PolarHBondContact OE1-N 2.89Å; E136-W455 VanDerWaalsContact OE1-N 3.13Å; P146-W455 HydrophobicContact CB-CB 4.07Å; P146-W455 HydrophobicContact CB-CD2 3.48Å; P146-W455 VanDerWaalsContact CB-CD2 3.48Å; P146-W455 HydrophobicContact CB-CE3 3.75Å; P146-W455 HydrophobicContact CB-CG 3.61Å; P146-W455 HydrophobicContact CB-CZ3 4.47Å; P146-W455 HydrophobicContact CG-CB 4.49Å; E147-W455 HydrophobicContact CB-CH2 3.33Å; E147-W455 HydrophobicContact CB-CZ2 4.09Å; E147-W455 HydrophobicContact CB-CZ3 3.76Å; E147-W455 HydrophobicContact CG-CH2 3.73Å; E147-W455 HydrophobicContact CG-CZ3 4.47Å; C177-W455 HydrophobicContact CB-CH2 4.43Å; C177-W455 HydrophobicContact CB-CZ2 3.77Å; W455-L481 HydrophobicContact CE3-CD1 4.1Å; W455-L481 HydrophobicContact CZ3-CD1 4.12Å
456	G	94.8	Very high	94.4	Very high	1 Å²	1	18.2 Å²	18.2	1%	0.01	11%	0.112	C	C	.	.	S	Bend	trans	-157.5	171.3	176.2	0	0	0	0	0	112	Y454 P458 T519	Y454-G456 VanDerWaalsContact C-N 3.32Å; Y454-G456 PolarHBondContact O-N 3.39Å; G456-P458 VanDerWaalsContact O-CD 3.29Å; G456-P458 WeakPolarHBondContact O-CD 3.48Å; G456-T519 VanDerWaalsContact O-CG2 3.3Å; G456-T519 WeakPolarHBondContact O-CG2 3.37Å
457	T	97.6	Very high	94.6	Very high	0 Å²	0	18.6 Å²	18.6	0%	0	12%	0.116	C	C	.	.	P	Polyproline II helix	trans	-64.8	120.4	177.6	-66.3	0	0	0	0	110.5	F131 Y182 T185 Q186 I459 T519 M520 D525	F131-T457 WeakPolarHBondContact CD2-OG1 3.43Å; F131-T457 WeakPolarHBondContact CE2-OG1 3.47Å; Y182-T457 WeakPolarHBondContact CB-OG1 3.21Å; Y182-T457 HydrophobicContact CD2-CG2 4.35Å; Y182-T457 HydrophobicContact CG-CG2 4.47Å; T185-T457 HydrophobicContact CG2-CG2 4.08Å; Q186-T457 HydrophobicContact CG-CG2 3.74Å; T457-I459 PolarHBondContact O-N 2.81Å; T457-T519 CarbonylContact O-C 3.55Å; T457-T519 WeakPolarHBondContact O-CA 3.49Å; T457-M520 HydrophobicContact CG2-CE 4.37Å; T457-M520 HydrophobicContact CG2-SD 4.2Å; T457-M520 PolarHBondContact O-N 3.13Å; T457-D525 PolarHBondContact OG1-OD1 2.99Å; T457-D525 PolarHBondContact OG1-OD2 2.88Å; T457-D525 VanDerWaalsContact OG1-OD2 3.09Å
458	P	98	Very high	94.6	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	13%	0.129	C	C	.	.	B	Isolated β-bridge	trans	-60.6	134.3	176.8	-26.3	36.7	0	0	0	111.6	Q186 G456 P460 V479 L481 W501	Q186-P458 WeakPolarHBondContact CG-O 3.4Å; Q186-P458 PolarHBondContact NE2-O 3.07Å; G456-P458 VanDerWaalsContact O-CD 3.29Å; G456-P458 WeakPolarHBondContact O-CD 3.48Å; P458-P460 WeakPolarHBondContact O-CD 3.32Å; P458-V479 HydrophobicContact CB-CB 4.39Å; P458-V479 HydrophobicContact CB-CG1 4.15Å; P458-V479 WeakPolarHBondContact CG-O 3.49Å; P458-L481 HydrophobicContact CG-CD2 3.68Å; P458-L481 HydrophobicContact CG-CG 3.91Å; P458-W501 HydrophobicContact CB-CH2 4.37Å; P458-W501 HydrophobicContact CB-CZ2 4.2Å; P458-W501 HydrophobicContact CG-CZ2 4.42Å
459	I	98.4	Very high	94.7	Very high	4 Å²	4	20.8 Å²	20.8	2%	0.021	14%	0.137	C	C	.	.	P	Polyproline II helix	trans	-70.1	121.8	174.5	-65.1	174.6	0	0	0	108.6	F189 W241 T457 I461 E516 D518 M520	F189-I459 HydrophobicContact CE1-CG2 3.81Å; F189-I459 HydrophobicContact CE2-CG2 4.49Å; F189-I459 HydrophobicContact CZ-CG2 3.79Å; W241-I459 HydrophobicContact CB-CD1 4.17Å; W241-I459 HydrophobicContact CG-CD1 4Å; T457-I459 PolarHBondContact O-N 2.81Å; I459-I461 HydrophobicContact CG2-CB 4.25Å; I459-I461 HydrophobicContact CG2-CG1 3.81Å; I459-I461 PolarHBondContact O-N 2.74Å; I459-E516 HydrophobicContact CB-CB 4.21Å; I459-E516 HydrophobicContact CB-CG 3.71Å; I459-E516 HydrophobicContact CD1-CG 4.26Å; I459-E516 HydrophobicContact CG2-CB 4.33Å; I459-E516 HydrophobicContact CG2-CG 3.94Å; I459-D518 HydrophobicContact CD1-CB 3.93Å; I459-D518 PolarHBondContact N-O 3.25Å; I459-M520 HydrophobicContact CB-CE 4.4Å; I459-M520 HydrophobicContact CD1-CG 4.4Å; I459-M520 HydrophobicContact CG1-CE 4.11Å; I459-M520 HydrophobicContact CG1-CG 3.58Å
460	P	98.1	Very high	94.9	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	14%	0.142	C	C	.	.			trans	-82.3	54.9	-170.8	36	-38.6	0	0	0	111.8	Q186 F189 V190 P458 P471 V472 L477 V479 M520	Q186-P460 HydrophobicContact CB-CB 4.12Å; Q186-P460 HydrophobicContact CB-CG 3.89Å; Q186-P460 HydrophobicContact CG-CB 4.24Å; Q186-P460 HydrophobicContact CG-CG 4.16Å; F189-P460 HydrophobicContact CD1-CG 3.7Å; F189-P460 HydrophobicContact CE1-CG 4.42Å; F189-P460 HydrophobicContact CG-CG 4.46Å; V190-P460 HydrophobicContact CG2-CB 4.3Å; V190-P460 HydrophobicContact CG2-CG 3.75Å; P458-P460 WeakPolarHBondContact O-CD 3.32Å; P460-P471 WeakPolarHBondContact O-CA 3.3Å; P460-V472 HydrophobicContact CB-CB 4.22Å; P460-V472 HydrophobicContact CB-CG2 4.42Å; P460-V472 PolarHBondContact O-N 3.45Å; P460-L477 HydrophobicContact CB-CD2 3.86Å; P460-V479 HydrophobicContact CB-CG2 4.33Å; P460-M520 VanDerWaalsContact CD-CE 3.42Å; P460-M520 HydrophobicContact CG-CE 4.46Å
461	I	98.4	Very high	95.1	Very high	2 Å²	2	23.1 Å²	23.1	1%	0.01	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	143.2	177.9	-60.7	-66.3	0	0	0	110.3	F189 Y193 W241 I459 P469 P471 E516	F189-I461 HydrophobicContact CE1-CD1 3.95Å; F189-I461 HydrophobicContact CE1-CG1 3.78Å; F189-I461 HydrophobicContact CZ-CG1 4.4Å; Y193-I461 HydrophobicContact CD2-CD1 4.25Å; Y193-I461 HydrophobicContact CE2-CD1 4.38Å; Y193-I461 HydrophobicContact CG-CD1 4.41Å; W241-I461 HydrophobicContact CH2-CB 4.45Å; W241-I461 HydrophobicContact CH2-CD1 4.02Å; W241-I461 HydrophobicContact CH2-CG1 3.71Å; W241-I461 HydrophobicContact CH2-CG2 4.17Å; W241-I461 HydrophobicContact CZ2-CB 4Å; W241-I461 HydrophobicContact CZ2-CD1 4.43Å; W241-I461 HydrophobicContact CZ2-CG1 3.65Å; W241-I461 HydrophobicContact CZ2-CG2 3.76Å; W241-I461 HydrophobicContact CZ3-CG1 4.46Å; I459-I461 HydrophobicContact CG2-CB 4.25Å; I459-I461 HydrophobicContact CG2-CG1 3.81Å; I459-I461 PolarHBondContact O-N 2.74Å; I461-P469 HydrophobicContact CG2-CB 3.88Å; I461-P471 HydrophobicContact CD1-CB 4.08Å; I461-E516 HydrophobicContact CB-CB 4.29Å; I461-E516 PolarHBondContact O-N 3.3Å
462	V	98	Very high	95.5	Very high	3 Å²	3	23.1 Å²	23.1	2%	0.018	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	125.2	171.6	173.5	0	0	0	0	109.3	T470 V472 A513 K514 R515	V462-T470 PolarHBondContact N-O 3.06Å; V462-T470 PolarHBondContact O-N 3.34Å; V462-V472 HydrophobicContact CG2-CG2 3.91Å; V462-A513 HydrophobicContact CG1-CB 3.27Å; V462-K514 CarbonylContact C-O 3.59Å; V462-K514 WeakPolarHBondContact CA-O 3.34Å; V462-R515 HydrophobicContact CG2-CG 4.5Å
463	H	97.5	Very high	95.9	Very high	52 Å²	52	23.9 Å²	23.9	24%	0.241	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88	106.4	175.9	-64.5	-68.6	0	0	0	110.2	A513 K514 E516	H463-A513 WeakPolarHBondContact O-CA 3.39Å; H463-A513 WeakPolarHBondContact O-CB 3.23Å; H463-K514 PolarHBondContact N-O 2.71Å; H463-K514 PolarHBondContact O-N 2.87Å; H463-E516 IonicContact CD2-OE2 3.54Å; H463-E516 IonicContact CE1-OE2 3.71Å; H463-E516 IonicContact NE2-OE2 2.81Å; H463-E516 PolarHBondContact NE2-OE2 3.37Å
464	C	96.9	Very high	96.4	Very high	9 Å²	9	25.6 Å²	25.6	6%	0.061	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103	130.9	175.5	178	0	0	0	0	110.5	A466 C467 G468 C506 A513	C464-A466 PolarHBondContact O-N 3.08Å; C464-A466 PolarHBondContact SG-N 3.14Å; C464-C467 HydrophobicContact CB-CB 3.9Å; C464-C467 PolarHBondContact O-N 3.39Å; C464-C467 PolarHBondContact SG-N 2.82Å; C464-C467 VanDerWaalsContact SG-N 3.43Å; C464-G468 PolarHBondContact N-O 3.15Å; C464-G468 VanDerWaalsContact N-O 3.09Å; C464-G468 VanDerWaalsContact O-CA 3.31Å; C464-G468 WeakPolarHBondContact O-CA 3.34Å; C464-G468 PolarHBondContact O-N 3.49Å; C464-C506 HydrophobicContact CB-CB 3.89Å; C464-A513 HydrophobicContact CB-CB 4.18Å
465	P	96	Very high	96.6	Very high	126 Å²	126	32.8 Å²	32.8	82%	0.818	20%	0.203	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.5	-30.8	176.6	-26	35.1	0	0	0	114.2	A512	P465-A512 WeakPolarHBondContact CD-O 3.32Å
466	A	95.9	Very high	96.8	Very high	88 Å²	88	37.2 Å²	37.2	73%	0.727	23%	0.227	S	C	*	.	T	Hydrogen-bonded Turn	trans	-92.4	-34.9	-178.8	0	0	0	0	0	113.6	C464	C464-A466 PolarHBondContact O-N 3.08Å; C464-A466 PolarHBondContact SG-N 3.14Å
467	C	95.7	Very high	97	Very high	33 Å²	33	37.5 Å²	37.5	22%	0.223	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.4	-12	-174.1	-63.2	0	0	0	0	114.2	C464	C464-C467 HydrophobicContact CB-CB 3.9Å; C464-C467 PolarHBondContact O-N 3.39Å; C464-C467 PolarHBondContact SG-N 2.82Å; C464-C467 VanDerWaalsContact SG-N 3.43Å
468	G	93.8	Very high	97	Very high	27 Å²	27	39.3 Å²	39.3	28%	0.278	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	74.5	-161.9	-169.8	0	0	0	0	0	112.9	C464 T470	C464-G468 PolarHBondContact N-O 3.15Å; C464-G468 VanDerWaalsContact N-O 3.09Å; C464-G468 VanDerWaalsContact O-CA 3.31Å; C464-G468 WeakPolarHBondContact O-CA 3.34Å; C464-G468 PolarHBondContact O-N 3.49Å; G468-T470 PolarHBondContact O-N 3.45Å; G468-T470 PolarHBondContact O-OG1 3.33Å
469	P	95.3	Very high	97	Very high	39 Å²	39	39.7 Å²	39.7	25%	0.253	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.5	123.4	173.7	-19	32	0	0	0	110.1	Y193 W241 I461	Y193-P469 PolarHBondContact OH-O 2.9Å; Y193-P469 VanDerWaalsContact OH-O 3.1Å; W241-P469 HydrophobicContact CH2-CB 4.26Å; W241-P469 HydrophobicContact CZ2-CB 4.43Å; I461-P469 HydrophobicContact CG2-CB 3.88Å
470	T	96.9	Very high	96.9	Very high	17 Å²	17	42.8 Å²	42.8	10%	0.104	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	130.2	-178.6	-50.5	0	0	0	0	109.2	V462 G468 P507 R508	V462-T470 PolarHBondContact N-O 3.06Å; V462-T470 PolarHBondContact O-N 3.34Å; G468-T470 PolarHBondContact O-N 3.45Å; G468-T470 PolarHBondContact O-OG1 3.33Å; T470-P507 HydrophobicContact CG2-CG 3.72Å; T470-R508 HydrophobicContact CG2-CB 4.09Å
471	P	97.7	Very high	96.7	Very high	32 Å²	32	44 Å²	44	21%	0.208	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.2	146.6	177.6	29.3	-34.2	0	0	0	111.3	V190 Y193 P460 I461 P507	V190-P471 HydrophobicContact CG1-CB 4.11Å; V190-P471 HydrophobicContact CG2-CB 4.21Å; Y193-P471 HydrophobicContact CD1-CB 4.25Å; Y193-P471 HydrophobicContact CD1-CG 4Å; Y193-P471 HydrophobicContact CE1-CG 4Å; P460-P471 WeakPolarHBondContact O-CA 3.3Å; I461-P471 HydrophobicContact CD1-CB 4.08Å; P471-P507 WeakPolarHBondContact O-CG 3.31Å
472	V	98.1	Very high	96.5	Very high	7 Å²	7	44.9 Å²	44.9	4%	0.042	27%	0.274	C	S	.	.	P	Polyproline II helix	trans	-66.4	134.7	169	175.7	0	0	0	0	108.5	P460 V462 D476 L477 V479	P460-V472 HydrophobicContact CB-CB 4.22Å; P460-V472 HydrophobicContact CB-CG2 4.42Å; P460-V472 PolarHBondContact O-N 3.45Å; V462-V472 HydrophobicContact CG2-CG2 3.91Å; V472-D476 HydrophobicContact CG1-CB 3.77Å; V472-L477 HydrophobicContact CB-CD2 4.25Å; V472-L477 HydrophobicContact CG1-CD2 3.99Å; V472-V479 HydrophobicContact CB-CG2 4.23Å; V472-V479 HydrophobicContact CG1-CG2 3.99Å; V472-V479 HydrophobicContact CG2-CG2 3.85Å
473	P	97.4	Very high	95.9	Very high	33 Å²	33	51.7 Å²	51.7	21%	0.214	31%	0.31	C	S	.	.	P	Polyproline II helix	trans	-55.8	146.7	176.7	-25.3	35	0	0	0	112.3	E475 D476 P507	P473-E475 VanDerWaalsContact CB-CD 3.45Å; P473-E475 HydrophobicContact CB-CG 4.15Å; P473-E475 WeakPolarHBondContact CB-OE2 3.46Å; P473-E475 PolarHBondContact O-N 3.44Å; P473-D476 HydrophobicContact CB-CB 4.4Å; P473-D476 WeakPolarHBondContact CD-OD2 2.94Å; P473-D476 WeakPolarHBondContact CG-OD2 3.49Å; P473-D476 PolarHBondContact O-N 2.99Å; P473-P507 HydrophobicContact CG-CB 3.8Å
474	L	96.4	Very high	95.2	Very high	52 Å²	52	50.2 Å²	50.2	27%	0.272	30%	0.304	S	S	.	.	G	3₁₀ helix	trans	-64.2	-32.7	-174.1	-62.3	179.4	0	0	0	112.4	Y187 V190 D476 L477	Y187-L474 HydrophobicContact CD2-CD1 4.26Å; Y187-L474 HydrophobicContact CD2-CD2 3.8Å; Y187-L474 HydrophobicContact CE2-CD1 3.89Å; Y187-L474 HydrophobicContact CE2-CD2 4.25Å; V190-L474 HydrophobicContact CB-CD2 4.02Å; V190-L474 HydrophobicContact CG1-CD2 3.78Å; V190-L474 HydrophobicContact CG2-CD2 4.45Å; L474-D476 VanDerWaalsContact C-N 3.28Å; L474-D476 PolarHBondContact O-N 3.08Å; L474-L477 HydrophobicContact CD2-CD1 4.01Å; L474-L477 WeakPolarHBondContact O-CB 3.38Å; L474-L477 PolarHBondContact O-N 2.67Å
475	E	95.8	Very high	93.9	Very high	154 Å²	154	55 Å²	55	72%	0.72	34%	0.344	S	S	*	.	G	3₁₀ helix	trans	-67.6	-25.7	175.2	61.4	-89.9	-149.3	0	0	113.5	P473 L477	P473-E475 VanDerWaalsContact CB-CD 3.45Å; P473-E475 HydrophobicContact CB-CG 4.15Å; P473-E475 WeakPolarHBondContact CB-OE2 3.46Å; P473-E475 PolarHBondContact O-N 3.44Å; E475-L477 VanDerWaalsContact C-N 3.31Å
476	D	96.7	Very high	92.7	Very high	102 Å²	102	52.8 Å²	52.8	55%	0.545	33%	0.332	S	S	.	.	G	3₁₀ helix	trans	-88.1	-1.3	179.2	-67.6	-21.9	0	0	0	112	V472 P473 L474	V472-D476 HydrophobicContact CG1-CB 3.77Å; P473-D476 HydrophobicContact CB-CB 4.4Å; P473-D476 WeakPolarHBondContact CD-OD2 2.94Å; P473-D476 WeakPolarHBondContact CG-OD2 3.49Å; P473-D476 PolarHBondContact O-N 2.99Å; L474-D476 VanDerWaalsContact C-N 3.28Å; L474-D476 PolarHBondContact O-N 3.08Å
477	L	97.7	Very high	91.5	Very high	8 Å²	8	50.2 Å²	50.2	4%	0.042	30%	0.304	C	S	.	.			trans	-79.4	142.6	175.5	-60.6	-179.1	0	0	0	111.5	K183 Q186 P460 V472 L474 E475 V479	K183-L477 WeakPolarHBondContact CE-O 3.41Å; K183-L477 HydrophobicContact CG-CB 3.94Å; K183-L477 PolarHBondContact NZ-O 3.23Å; Q186-L477 HydrophobicContact CB-CD1 4.15Å; Q186-L477 HydrophobicContact CB-CD2 4.05Å; P460-L477 HydrophobicContact CB-CD2 3.86Å; V472-L477 HydrophobicContact CB-CD2 4.25Å; V472-L477 HydrophobicContact CG1-CD2 3.99Å; L474-L477 HydrophobicContact CD2-CD1 4.01Å; L474-L477 WeakPolarHBondContact O-CB 3.38Å; L474-L477 PolarHBondContact O-N 2.67Å; E475-L477 VanDerWaalsContact C-N 3.31Å; L477-V479 HydrophobicContact CD2-CG2 4.33Å
478	P	98.1	Very high	90.1	Very high	37 Å²	37	52.9 Å²	52.9	24%	0.24	32%	0.32	C	S	.	.			cis	-86.3	148.7	7.4	29.6	-28.3	0	0	0	114.2	P179 Y182 K183 T480	P179-P478 HydrophobicContact CB-CG 3.96Å; Y182-P478 HydrophobicContact CD2-CB 4.24Å; Y182-P478 HydrophobicContact CE2-CB 3.75Å; K183-P478 HydrophobicContact CB-CB 3.83Å; K183-P478 HydrophobicContact CB-CG 4.16Å; K183-P478 HydrophobicContact CG-CB 4.26Å; P478-T480 HydrophobicContact CB-CG2 4.47Å; P478-T480 HydrophobicContact CG-CG2 4Å; P478-T480 PolarHBondContact O-N 2.91Å
479	V	98	Very high	88.6	Confident	9 Å²	9	52.9 Å²	52.9	6%	0.055	32%	0.32	C	S	.	.			trans	-73.4	104.5	156.9	-176	0	0	0	0	107.2	Q186 P458 P460 V472 L477 W501	Q186-V479 PolarHBondContact NE2-O 3.08Å; P458-V479 HydrophobicContact CB-CB 4.39Å; P458-V479 HydrophobicContact CB-CG1 4.15Å; P458-V479 WeakPolarHBondContact CG-O 3.49Å; P460-V479 HydrophobicContact CB-CG2 4.33Å; V472-V479 HydrophobicContact CB-CG2 4.23Å; V472-V479 HydrophobicContact CG1-CG2 3.99Å; V472-V479 HydrophobicContact CG2-CG2 3.85Å; L477-V479 HydrophobicContact CD2-CG2 4.33Å; V479-W501 HydrophobicContact CG1-CH2 4.5Å; V479-W501 HydrophobicContact CG1-CZ2 3.65Å
480	T	96.9	Very high	87	Confident	68 Å²	68	58.4 Å²	58.4	42%	0.417	34%	0.34	S	S	.	.	P	Polyproline II helix	trans	-80.9	148.5	-176.4	56.9	0	0	0	0	112.4	Y182 P478 W501	Y182-T480 WeakPolarHBondContact OH-CA 3.23Å; P478-T480 HydrophobicContact CB-CG2 4.47Å; P478-T480 HydrophobicContact CG-CG2 4Å; P478-T480 PolarHBondContact O-N 2.91Å; T480-W501 PolarHBondContact O-NE1 3.24Å
481	L	94.1	Very high	85.3	Confident	27 Å²	27	61.2 Å²	61.2	14%	0.141	37%	0.372	C	S	.	.	P	Polyproline II helix	trans	-62.3	134.4	169.7	-74	170	0	0	0	110.7	F131 Y454 W455 P458 L495 T519	F131-L481 HydrophobicContact CE1-CD1 3.55Å; F131-L481 HydrophobicContact CZ-CD1 3.73Å; Y454-L481 HydrophobicContact CD2-CD2 4.37Å; Y454-L481 HydrophobicContact CE2-CB 4.44Å; Y454-L481 HydrophobicContact CE2-CD2 4.34Å; Y454-L481 VanDerWaalsContact O-CD2 3.25Å; Y454-L481 WeakPolarHBondContact O-CD2 3.32Å; W455-L481 HydrophobicContact CE3-CD1 4.1Å; W455-L481 HydrophobicContact CZ3-CD1 4.12Å; P458-L481 HydrophobicContact CG-CD2 3.68Å; P458-L481 HydrophobicContact CG-CG 3.91Å; L481-L495 HydrophobicContact CD2-CD1 4.2Å; L481-L495 HydrophobicContact CD2-CD2 4Å; L481-T519 HydrophobicContact CD2-CG2 4.42Å
482	P	92.7	Very high	84	Confident	20 Å²	20	61.1 Å²	61.1	13%	0.13	38%	0.377	C	S	.	.	P	Polyproline II helix	trans	-75.3	151.6	173.3	32	-32.2	0	0	0	110.4	Y454 I484 L495 A498 W501	Y454-P482 VanDerWaalsContact CE2-O 3.28Å; Y454-P482 WeakPolarHBondContact CE2-O 3.41Å; Y454-P482 PolarHBondContact OH-O 3.35Å; P482-I484 HydrophobicContact CG-CD1 4.25Å; P482-I484 HydrophobicContact CG-CG1 4.26Å; P482-I484 PolarHBondContact O-N 3.34Å; P482-L495 HydrophobicContact CG-CD2 3.57Å; P482-A498 HydrophobicContact CB-CB 4.38Å; P482-A498 HydrophobicContact CG-CB 4.03Å; P482-W501 HydrophobicContact CB-CB 3.92Å; P482-W501 HydrophobicContact CB-CD2 4.47Å; P482-W501 HydrophobicContact CB-CG 3.77Å; P482-W501 HydrophobicContact CG-CB 4.09Å; P482-W501 HydrophobicContact CG-CD2 3.91Å; P482-W501 HydrophobicContact CG-CE3 4.47Å; P482-W501 HydrophobicContact CG-CG 3.71Å
483	N	86.1	Confident	83.1	Confident	145 Å²	145	61.4 Å²	61.4	78%	0.775	38%	0.379	S	S	*	.	P	Polyproline II helix	trans	-74.2	120.9	171.9	-172.7	10.8	0	0	0	110.2
484	I	83.4	Confident	82.4	Confident	21 Å²	21	60.7 Å²	60.7	11%	0.108	37%	0.374	C	S	.	.			trans	-119.4	130.7	179.9	-59.2	-178.7	0	0	0	109.4	Y454 P482 F487 P494 L495 A498	Y454-I484 HydrophobicContact CD2-CD1 3.78Å; Y454-I484 HydrophobicContact CD2-CG1 4.42Å; Y454-I484 HydrophobicContact CE2-CB 4.34Å; Y454-I484 HydrophobicContact CE2-CD1 3.85Å; Y454-I484 HydrophobicContact CE2-CG1 4.01Å; P482-I484 HydrophobicContact CG-CD1 4.25Å; P482-I484 HydrophobicContact CG-CG1 4.26Å; P482-I484 PolarHBondContact O-N 3.34Å; I484-F487 HydrophobicContact CB-CE1 4.01Å; I484-F487 HydrophobicContact CB-CZ 4.04Å; I484-F487 HydrophobicContact CG2-CE1 4.21Å; I484-F487 HydrophobicContact CG2-CZ 4.48Å; I484-F487 WeakPolarHBondContact O-CE2 3.32Å; I484-F487 VanDerWaalsContact O-CZ 3.25Å; I484-F487 WeakPolarHBondContact O-CZ 3.31Å; I484-P494 HydrophobicContact CD1-CB 4.34Å; I484-P494 WeakPolarHBondContact CD1-O 3.25Å; I484-L495 HydrophobicContact CD1-CD2 4.14Å; I484-A498 HydrophobicContact CD1-CB 4.27Å; I484-A498 HydrophobicContact CG1-CB 4.49Å
485	A	70	Confident	82.1	Confident	110 Å²	110	58.2 Å²	58.2	91%	0.909	36%	0.361	S	S	*	.	S	Bend	trans	-81.8	-19.9	-171.8	0	0	0	0	0	115
486	S	70	Confident	81.6	Confident	80 Å²	80	53.7 Å²	53.7	56%	0.559	35%	0.35	S	S	*	.			trans	-137.1	127.9	-175.8	-171.8	0	0	0	0	112
487	F	71.8	Confident	81.1	Confident	34 Å²	34	56.2 Å²	56.2	15%	0.149	36%	0.361	C	S	.	.			trans	-116.9	101	173.6	-54.2	-75.8	0	0	0	108.5	I140 H145 Y454 I484 G489	I140-F487 HydrophobicContact CD1-CB 4.43Å; I140-F487 HydrophobicContact CG1-CB 4.08Å; H145-F487 AromaticContact CD2-CE2 3.39Å; H145-F487 WeakPolarHBondContact CD2-CE2 3.48Å; H145-F487 AromaticContact CD2-CZ 3.69Å; H145-F487 AromaticContact NE2-CE2 3.85Å; H145-F487 AromaticContact NE2-CZ 3.63Å; Y454-F487 AromaticContact CD1-CD1 3.95Å; Y454-F487 HydrophobicContact CD1-CD1 3.95Å; Y454-F487 AromaticContact CD1-CE1 3.15Å; Y454-F487 HydrophobicContact CD1-CE1 3.15Å; Y454-F487 AromaticContact CD1-CZ 3.64Å; Y454-F487 HydrophobicContact CD1-CZ 3.64Å; Y454-F487 AromaticContact CD2-CE1 3.95Å; Y454-F487 HydrophobicContact CD2-CE1 3.95Å; Y454-F487 HydrophobicContact CE1-CD1 4.49Å; Y454-F487 AromaticContact CE1-CE1 3.37Å; Y454-F487 HydrophobicContact CE1-CE1 3.37Å; Y454-F487 HydrophobicContact CE1-CE2 4.45Å; Y454-F487 AromaticContact CE1-CZ 3.33Å; Y454-F487 HydrophobicContact CE1-CZ 3.33Å; Y454-F487 HydrophobicContact CE2-CE1 4.15Å; Y454-F487 HydrophobicContact CE2-CZ 4.43Å; Y454-F487 HydrophobicContact CG-CD1 4.17Å; Y454-F487 AromaticContact CG-CE1 3.43Å; Y454-F487 HydrophobicContact CG-CE1 3.43Å; Y454-F487 VanDerWaalsContact CG-CE1 3.43Å; Y454-F487 HydrophobicContact CG-CZ 4.27Å; Y454-F487 AromaticContact CZ-CE1 3.86Å; Y454-F487 AromaticContact CZ-CZ 3.77Å; I484-F487 HydrophobicContact CB-CE1 4.01Å; I484-F487 HydrophobicContact CB-CZ 4.04Å; I484-F487 HydrophobicContact CG2-CE1 4.21Å; I484-F487 HydrophobicContact CG2-CZ 4.48Å; I484-F487 WeakPolarHBondContact O-CE2 3.32Å; I484-F487 VanDerWaalsContact O-CZ 3.25Å; I484-F487 WeakPolarHBondContact O-CZ 3.31Å; F487-G489 VanDerWaalsContact C-N 3.32Å
488	T	65.4	Low	80.7	Confident	89 Å²	89	56.8 Å²	56.8	55%	0.546	37%	0.367	S	S	.	.			trans	-82.3	-14.7	179	55	0	0	0	0	112.5	K490	T488-K490 PolarHBondContact O-N 2.67Å; T488-K490 VanDerWaalsContact O-N 3.15Å; T488-K490 PolarHBondContact OG1-N 2.94Å; T488-K490 PolarHBondContact OG1-O 3.16Å
489	G	62.8	Low	80.3	Confident	27 Å²	27	58.6 Å²	58.6	28%	0.278	38%	0.38	S	S	.	.	S	Bend	trans	63.3	9.8	-170.5	0	0	0	0	0	113.9	F487	F487-G489 VanDerWaalsContact C-N 3.32Å
490	K	61.1	Low	80	Confident	155 Å²	155	67 Å²	67	67%	0.674	42%	0.418	S	S	*	.			trans	-137.8	142.1	-173.5	-64.5	-178.6	-178.8	-179	0	110.7	T488	T488-K490 PolarHBondContact O-N 2.67Å; T488-K490 VanDerWaalsContact O-N 3.15Å; T488-K490 PolarHBondContact OG1-N 2.94Å; T488-K490 PolarHBondContact OG1-O 3.16Å
491	G	61.9	Low	79.9	Confident	76 Å²	76	65.4 Å²	65.4	78%	0.784	41%	0.405	S	S	*	.	S	Bend	trans	105.6	16.7	172	0	0	0	0	0	116.4
492	G	69.5	Low	80	Confident	30 Å²	30	64.8 Å²	64.8	31%	0.309	40%	0.402	S	S	.	.	S	Bend	trans	91.4	-163.9	-176.1	0	0	0	0	0	113	P494	G492-P494 WeakPolarHBondContact O-CD 3.1Å
493	S	78.9	Confident	80.2	Confident	12 Å²	12	68.2 Å²	68.2	8%	0.084	42%	0.419	C	S	.	.			trans	-64.2	122.3	-176.7	-179.9	0	0	0	0	111.4	Q452 L495 A496 T517	Q452-S493 WeakPolarHBondContact O-CA 3.18Å; S493-L495 PolarHBondContact O-N 2.85Å; S493-L495 VanDerWaalsContact O-N 3.12Å; S493-L495 PolarHBondContact OG-N 3.02Å; S493-A496 WeakPolarHBondContact O-CB 3.25Å; S493-A496 PolarHBondContact O-N 3.15Å; S493-T517 WeakPolarHBondContact CB-O 3.45Å; S493-T517 PolarHBondContact OG-O 3.37Å
494	P	83.9	Confident	80.7	Confident	18 Å²	18	62.5 Å²	62.5	12%	0.117	39%	0.391	C	S	.	.	G	3₁₀ helix	trans	-59.4	-25.4	176.7	-23.7	33.8	0	0	0	113.2	I484 G492 A496 M497	I484-P494 HydrophobicContact CD1-CB 4.34Å; I484-P494 WeakPolarHBondContact CD1-O 3.25Å; G492-P494 WeakPolarHBondContact O-CD 3.1Å; P494-A496 PolarHBondContact O-N 3.39Å; P494-M497 WeakPolarHBondContact O-CB 3.37Å; P494-M497 PolarHBondContact O-N 2.67Å; P494-M497 VanDerWaalsContact O-N 3.11Å
495	L	89.1	Confident	81.3	Confident	0 Å²	0	65.3 Å²	65.3	0%	0	41%	0.412	C	S	.	.	G	3₁₀ helix	trans	-60.4	-29.4	176.6	-66	176.3	0	0	0	112.6	Y454 L481 P482 I484 S493 M497 A498 W501 V502 T517 T519	Y454-L495 HydrophobicContact CD2-CD2 3.69Å; Y454-L495 HydrophobicContact CD2-CG 4.28Å; Y454-L495 HydrophobicContact CE2-CD2 4.11Å; L481-L495 HydrophobicContact CD2-CD1 4.2Å; L481-L495 HydrophobicContact CD2-CD2 4Å; P482-L495 HydrophobicContact CG-CD2 3.57Å; I484-L495 HydrophobicContact CD1-CD2 4.14Å; S493-L495 PolarHBondContact O-N 2.85Å; S493-L495 VanDerWaalsContact O-N 3.12Å; S493-L495 PolarHBondContact OG-N 3.02Å; L495-M497 PolarHBondContact O-N 3.17Å; L495-A498 PolarHBondContact O-N 3.14Å; L495-A498 VanDerWaalsContact O-N 3.07Å; L495-W501 HydrophobicContact CB-CZ3 4.13Å; L495-W501 HydrophobicContact CD1-CH2 4.11Å; L495-W501 HydrophobicContact CD1-CZ3 4.3Å; L495-W501 HydrophobicContact CD2-CZ3 4.45Å; L495-V502 WeakPolarHBondContact O-CG2 3.42Å; L495-T517 WeakPolarHBondContact CD1-O 3.5Å; L495-T519 HydrophobicContact CD1-CG2 3.76Å
496	A	86.4	Confident	82.6	Confident	60 Å²	60	60.1 Å²	60.1	50%	0.496	37%	0.369	S	S	.	.	G	3₁₀ helix	trans	-63.5	-21.6	178.3	0	0	0	0	0	113.1	S493 P494 T517	S493-A496 WeakPolarHBondContact O-CB 3.25Å; S493-A496 PolarHBondContact O-N 3.15Å; P494-A496 PolarHBondContact O-N 3.39Å; A496-T517 HydrophobicContact CB-CG2 4.26Å
497	M	85.6	Confident	83.9	Confident	155 Å²	155	57.6 Å²	57.6	76%	0.764	35%	0.351	S	S	*	.	G	3₁₀ helix	trans	-81.9	-16.7	177.4	-60	179.7	63.7	0	0	113	P494 L495 S499	P494-M497 WeakPolarHBondContact O-CB 3.37Å; P494-M497 PolarHBondContact O-N 2.67Å; P494-M497 VanDerWaalsContact O-N 3.11Å; L495-M497 PolarHBondContact O-N 3.17Å; M497-S499 VanDerWaalsContact C-N 3.34Å; M497-S499 PolarHBondContact O-N 3.35Å; M497-S499 VanDerWaalsContact O-N 3.08Å
498	A	89.5	Confident	85	Confident	20 Å²	20	64.9 Å²	64.9	17%	0.165	38%	0.378	C	S	.	.			trans	-85.6	71.2	-179.6	0	0	0	0	0	111	P482 I484 L495 E500 W501 V502	P482-A498 HydrophobicContact CB-CB 4.38Å; P482-A498 HydrophobicContact CG-CB 4.03Å; I484-A498 HydrophobicContact CD1-CB 4.27Å; I484-A498 HydrophobicContact CG1-CB 4.49Å; L495-A498 PolarHBondContact O-N 3.14Å; L495-A498 VanDerWaalsContact O-N 3.07Å; A498-E500 VanDerWaalsContact C-N 3.29Å; A498-E500 PolarHBondContact O-N 3Å; A498-W501 HydrophobicContact CB-CB 4.07Å; A498-W501 WeakPolarHBondContact O-CB 3.49Å; A498-W501 PolarHBondContact O-N 3.42Å; A498-V502 WeakPolarHBondContact O-CG2 3.39Å; A498-V502 PolarHBondContact O-N 3.4Å
499	S	89.3	Confident	86.5	Confident	74 Å²	74	63.5 Å²	63.5	52%	0.517	37%	0.371	S	S	.	.	H	α-helix	trans	-53.9	-38.7	-172	58.8	0	0	0	0	114.4	M497 W501 V502 N503	M497-S499 VanDerWaalsContact C-N 3.34Å; M497-S499 PolarHBondContact O-N 3.35Å; M497-S499 VanDerWaalsContact O-N 3.08Å; S499-W501 VanDerWaalsContact C-N 3.29Å; S499-W501 PolarHBondContact O-N 2.91Å; S499-V502 PolarHBondContact O-N 3.45Å; S499-N503 WeakPolarHBondContact O-CB 3.36Å; S499-N503 PolarHBondContact O-N 2.91Å; S499-N503 PolarHBondContact O-ND2 3.15Å
500	E	91.5	Very high	88.1	Confident	185 Å²	185	69.2 Å²	69.2	86%	0.864	39%	0.388	S	S	*	.	H	α-helix	trans	-66.2	-30	177.2	-64.7	-173.6	166.8	0	0	113	A498	A498-E500 VanDerWaalsContact C-N 3.29Å; A498-E500 PolarHBondContact O-N 3Å
501	W	95	Very high	89.8	Confident	35 Å²	35	63.4 Å²	63.4	13%	0.133	37%	0.372	C	S	.	.	H	α-helix	trans	-83	-40.8	177.1	-178.2	90.2	0	0	0	111.8	P458 V479 T480 P482 L495 A498 S499 R515	P458-W501 HydrophobicContact CB-CH2 4.37Å; P458-W501 HydrophobicContact CB-CZ2 4.2Å; P458-W501 HydrophobicContact CG-CZ2 4.42Å; V479-W501 HydrophobicContact CG1-CH2 4.5Å; V479-W501 HydrophobicContact CG1-CZ2 3.65Å; T480-W501 PolarHBondContact O-NE1 3.24Å; P482-W501 HydrophobicContact CB-CB 3.92Å; P482-W501 HydrophobicContact CB-CD2 4.47Å; P482-W501 HydrophobicContact CB-CG 3.77Å; P482-W501 HydrophobicContact CG-CB 4.09Å; P482-W501 HydrophobicContact CG-CD2 3.91Å; P482-W501 HydrophobicContact CG-CE3 4.47Å; P482-W501 HydrophobicContact CG-CG 3.71Å; L495-W501 HydrophobicContact CB-CZ3 4.13Å; L495-W501 HydrophobicContact CD1-CH2 4.11Å; L495-W501 HydrophobicContact CD1-CZ3 4.3Å; L495-W501 HydrophobicContact CD2-CZ3 4.45Å; A498-W501 HydrophobicContact CB-CB 4.07Å; A498-W501 WeakPolarHBondContact O-CB 3.49Å; A498-W501 PolarHBondContact O-N 3.42Å; S499-W501 VanDerWaalsContact C-N 3.29Å; S499-W501 PolarHBondContact O-N 2.91Å; W501-R515 HydrophobicContact CH2-CB 4.37Å; W501-R515 HydrophobicContact CZ3-CB 4.13Å; W501-R515 WeakPolarHBondContact O-CD 3.42Å; W501-R515 PolarHBondContact O-NE 2.97Å
502	V	95.8	Very high	91.5	Very high	14 Å²	14	64 Å²	64	9%	0.085	37%	0.37	C	S	.	.	H	α-helix	trans	-66.4	-44.9	-178.3	173.7	0	0	0	0	111.6	L495 A498 S499 C504 K514 R515 T517	L495-V502 WeakPolarHBondContact O-CG2 3.42Å; A498-V502 WeakPolarHBondContact O-CG2 3.39Å; A498-V502 PolarHBondContact O-N 3.4Å; S499-V502 PolarHBondContact O-N 3.45Å; V502-C504 PolarHBondContact O-N 2.82Å; V502-K514 HydrophobicContact CG1-CB 4.09Å; V502-K514 HydrophobicContact CG1-CD 4.4Å; V502-K514 HydrophobicContact CG1-CG 4.29Å; V502-K514 CarbonylContact O-C 3.53Å; V502-K514 VanDerWaalsContact O-CA 3.3Å; V502-K514 WeakPolarHBondContact O-CA 3.44Å; V502-R515 PolarHBondContact O-N 3.16Å; V502-T517 HydrophobicContact CG1-CG2 4.42Å; V502-T517 HydrophobicContact CG2-CG2 3.86Å
503	N	96.9	Very high	92.9	Very high	92 Å²	92	63 Å²	63	49%	0.492	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76	125.7	-178	-65	-53	0	0	0	110.2	S499	S499-N503 WeakPolarHBondContact O-CB 3.36Å; S499-N503 PolarHBondContact O-N 2.91Å; S499-N503 PolarHBondContact O-ND2 3.15Å
504	C	96.5	Very high	93.8	Very high	26 Å²	26	68.4 Å²	68.4	18%	0.176	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.1	175	-180	63.4	0	0	0	0	111.4	V502 A513 R515	V502-C504 PolarHBondContact O-N 2.82Å; C504-A513 PolarHBondContact N-O 3.31Å; C504-A513 CarbonylContact O-C 3.57Å; C504-A513 WeakPolarHBondContact O-CA 3.48Å; C504-A513 PolarHBondContact O-N 3Å; C504-R515 HydrophobicContact CB-CG 4.29Å
505	S	97.2	Very high	94.5	Very high	80 Å²	80	71 Å²	71	56%	0.559	39%	0.388	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-89.3	140	170.9	-64.2	0	0	0	0	110.6	G511	S505-G511 WeakPolarHBondContact CA-O 3.07Å
506	C	97.5	Very high	94.8	Very high	0 Å²	0	71.6 Å²	71.6	0%	0	39%	0.39	C	S	.	.			trans	-59.4	127.5	171.9	177.6	0	0	0	0	109.7	C464 R508 C509 K510 G511 A513	C464-C506 HydrophobicContact CB-CB 3.89Å; C506-R508 PolarHBondContact O-N 3.2Å; C506-R508 PolarHBondContact SG-N 2.87Å; C506-R508 VanDerWaalsContact SG-N 3.43Å; C506-C509 VanDerWaalsContact CB-SG 3.58Å; C506-C509 PolarHBondContact SG-N 2.93Å; C506-K510 WeakPolarHBondContact O-CA 3.17Å; C506-K510 PolarHBondContact O-N 3.29Å; C506-G511 PolarHBondContact N-O 2.83Å; C506-A513 HydrophobicContact CB-CB 3.98Å
507	P	95.9	Very high	95.2	Very high	28 Å²	28	70.3 Å²	70.3	18%	0.182	38%	0.377	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64	-27.6	-180	22.9	-31.1	0	0	0	112.3	T470 P471 P473 K510	T470-P507 HydrophobicContact CG2-CG 3.72Å; P471-P507 WeakPolarHBondContact O-CG 3.31Å; P473-P507 HydrophobicContact CG-CB 3.8Å; P507-K510 PolarHBondContact O-NZ 3.14Å
508	R	95.3	Very high	95.7	Very high	187 Å²	187	63.4 Å²	63.4	71%	0.706	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.4	-57.2	-179.6	-175.1	177	-179.6	-170.6	1.2	114.1	T470 C506	T470-R508 HydrophobicContact CG2-CB 4.09Å; C506-R508 PolarHBondContact O-N 3.2Å; C506-R508 PolarHBondContact SG-N 2.87Å; C506-R508 VanDerWaalsContact SG-N 3.43Å
509	C	97	Very high	96	Very high	60 Å²	60	62.6 Å²	62.6	41%	0.405	34%	0.336	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104.7	-3	-174.4	72.6	0	0	0	0	114.6	C506 G511	C506-C509 VanDerWaalsContact CB-SG 3.58Å; C506-C509 PolarHBondContact SG-N 2.93Å; C509-G511 PolarHBondContact O-N 3.39Å
510	K	96.6	Very high	96.3	Very high	147 Å²	147	59.2 Å²	59.2	64%	0.639	31%	0.312	S	S	*	.			trans	62.4	-3.9	-175.7	-49.7	-53.1	-173.6	-166.2	0	116.1	C506 P507	C506-K510 WeakPolarHBondContact O-CA 3.17Å; C506-K510 PolarHBondContact O-N 3.29Å; P507-K510 PolarHBondContact O-NZ 3.14Å
511	G	97.2	Very high	96.2	Very high	33 Å²	33	50.7 Å²	50.7	34%	0.34	27%	0.272	S	S	.	.	S	Bend	trans	-66.6	171.1	173.2	0	0	0	0	0	113.6	S505 C506 C509 A513	S505-G511 WeakPolarHBondContact CA-O 3.07Å; C506-G511 PolarHBondContact N-O 2.83Å; C509-G511 PolarHBondContact O-N 3.39Å; G511-A513 PolarHBondContact O-N 2.91Å
512	A	97.9	Very high	96.1	Very high	89 Å²	89	49.6 Å²	49.6	74%	0.736	27%	0.269	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-60.3	134.6	179.6	0	0	0	0	0	111.9	P465	P465-A512 WeakPolarHBondContact CD-O 3.32Å
513	A	98	Very high	95.9	Very high	8 Å²	8	49.6 Å²	49.6	7%	0.066	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.8	172.4	-179.1	0	0	0	0	0	111.1	V462 H463 C464 C504 C506 G511	V462-A513 HydrophobicContact CG1-CB 3.27Å; H463-A513 WeakPolarHBondContact O-CA 3.39Å; H463-A513 WeakPolarHBondContact O-CB 3.23Å; C464-A513 HydrophobicContact CB-CB 4.18Å; C504-A513 PolarHBondContact N-O 3.31Å; C504-A513 CarbonylContact O-C 3.57Å; C504-A513 WeakPolarHBondContact O-CA 3.48Å; C504-A513 PolarHBondContact O-N 3Å; C506-A513 HydrophobicContact CB-CB 3.98Å; G511-A513 PolarHBondContact O-N 2.91Å
514	K	97.8	Very high	95.9	Very high	125 Å²	125	45.3 Å²	45.3	54%	0.543	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	136.1	179.1	-65.1	-175	177.7	-176.5	0	110.8	V462 H463 V502	V462-K514 CarbonylContact C-O 3.59Å; V462-K514 WeakPolarHBondContact CA-O 3.34Å; H463-K514 PolarHBondContact N-O 2.71Å; H463-K514 PolarHBondContact O-N 2.87Å; V502-K514 HydrophobicContact CG1-CB 4.09Å; V502-K514 HydrophobicContact CG1-CD 4.4Å; V502-K514 HydrophobicContact CG1-CG 4.29Å; V502-K514 CarbonylContact O-C 3.53Å; V502-K514 VanDerWaalsContact O-CA 3.3Å; V502-K514 WeakPolarHBondContact O-CA 3.44Å
515	R	97.6	Very high	96	Very high	73 Å²	73	44 Å²	44	28%	0.275	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.8	150.6	171.3	-61.9	-171.2	-175.2	-85.7	-0.2	110.3	V462 W501 V502 C504	V462-R515 HydrophobicContact CG2-CG 4.5Å; W501-R515 HydrophobicContact CH2-CB 4.37Å; W501-R515 HydrophobicContact CZ3-CB 4.13Å; W501-R515 WeakPolarHBondContact O-CD 3.42Å; W501-R515 PolarHBondContact O-NE 2.97Å; V502-R515 PolarHBondContact O-N 3.16Å; C504-R515 HydrophobicContact CB-CG 4.29Å
516	E	96.9	Very high	95.9	Very high	12 Å²	12	40.3 Å²	40.3	6%	0.056	21%	0.211	C	C	.	.			trans	-59.5	135.6	163.5	-176.9	55.5	-91.9	0	0	109.7	Q200 W241 I459 I461 H463 D518	Q200-E516 PolarHBondContact NE2-OE2 3.34Å; W241-E516 PolarHBondContact NE1-OE2 3.19Å; I459-E516 HydrophobicContact CB-CB 4.21Å; I459-E516 HydrophobicContact CB-CG 3.71Å; I459-E516 HydrophobicContact CD1-CG 4.26Å; I459-E516 HydrophobicContact CG2-CB 4.33Å; I459-E516 HydrophobicContact CG2-CG 3.94Å; I461-E516 HydrophobicContact CB-CB 4.29Å; I461-E516 PolarHBondContact O-N 3.3Å; H463-E516 IonicContact CD2-OE2 3.54Å; H463-E516 IonicContact CE1-OE2 3.71Å; H463-E516 IonicContact NE2-OE2 2.81Å; H463-E516 PolarHBondContact NE2-OE2 3.37Å; E516-D518 HydrophobicContact CG-CB 4.18Å; E516-D518 PolarHBondContact OE1-N 2.82Å; E516-D518 VanDerWaalsContact OE1-N 3.17Å
517	T	95.1	Very high	95.9	Very high	33 Å²	33	40.3 Å²	40.3	20%	0.202	21%	0.211	C	C	.	.			trans	-104.9	-10.4	-177.9	53.3	0	0	0	0	112.6	S493 L495 A496 V502	S493-T517 WeakPolarHBondContact CB-O 3.45Å; S493-T517 PolarHBondContact OG-O 3.37Å; L495-T517 WeakPolarHBondContact CD1-O 3.5Å; A496-T517 HydrophobicContact CB-CG2 4.26Å; V502-T517 HydrophobicContact CG1-CG2 4.42Å; V502-T517 HydrophobicContact CG2-CG2 3.86Å
518	D	94.5	Very high	96.1	Very high	11 Å²	11	39 Å²	39	6%	0.059	20%	0.202	C	C	.	.	P	Polyproline II helix	trans	-72.9	143.6	167.3	-75.9	-12.2	0	0	0	110.7	Q240 S450 R451 Q452 I459 E516	Q240-D518 PolarHBondContact NE2-OD2 3.3Å; S450-D518 WeakPolarHBondContact CB-OD2 3.34Å; S450-D518 PolarHBondContact OG-OD2 3.2Å; R451-D518 WeakPolarHBondContact O-CA 3.44Å; Q452-D518 WeakPolarHBondContact CG-OD1 3.35Å; Q452-D518 VanDerWaalsContact NE2-CG 3.32Å; Q452-D518 PolarHBondContact NE2-OD1 2.88Å; Q452-D518 PolarHBondContact NE2-OD2 3.4Å; I459-D518 HydrophobicContact CD1-CB 3.93Å; I459-D518 PolarHBondContact N-O 3.25Å; E516-D518 HydrophobicContact CG-CB 4.18Å; E516-D518 PolarHBondContact OE1-N 2.82Å; E516-D518 VanDerWaalsContact OE1-N 3.17Å
519	T	95.8	Very high	96.2	Very high	2 Å²	2	30.1 Å²	30.1	1%	0.012	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99	161.8	166.6	50.9	0	0	0	0	110.2	R451 R453 G456 T457 L481 L495	R451-T519 PolarHBondContact N-O 3.06Å; R451-T519 PolarHBondContact O-N 2.99Å; R451-T519 PolarHBondContact O-OG1 2.77Å; R453-T519 VanDerWaalsContact O-CG2 3.27Å; R453-T519 WeakPolarHBondContact O-CG2 3.4Å; R453-T519 PolarHBondContact O-OG1 3.42Å; G456-T519 VanDerWaalsContact O-CG2 3.3Å; G456-T519 WeakPolarHBondContact O-CG2 3.37Å; T457-T519 CarbonylContact O-C 3.55Å; T457-T519 WeakPolarHBondContact O-CA 3.49Å; L481-T519 HydrophobicContact CD2-CG2 4.42Å; L495-T519 HydrophobicContact CD1-CG2 3.76Å
520	M	95.5	Very high	96.3	Very high	3 Å²	3	27.2 Å²	27.2	2%	0.015	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	147	174.3	-60.8	-175.8	-160.9	0	0	110.9	T185 F189 I449 T457 I459 P460 V524	T185-M520 HydrophobicContact CG2-SD 3.96Å; F189-M520 HydrophobicContact CB-CE 3.47Å; F189-M520 VanDerWaalsContact CB-CE 3.47Å; F189-M520 HydrophobicContact CB-SD 4.26Å; F189-M520 HydrophobicContact CD1-CE 4.05Å; F189-M520 HydrophobicContact CD2-CE 3.71Å; F189-M520 HydrophobicContact CD2-SD 4.25Å; F189-M520 HydrophobicContact CE2-CE 4.49Å; F189-M520 HydrophobicContact CG-CE 3.44Å; F189-M520 VanDerWaalsContact CG-CE 3.44Å; F189-M520 HydrophobicContact CG-SD 4.42Å; I449-M520 HydrophobicContact CD1-CG 4.18Å; I449-M520 CarbonylContact O-C 3.19Å; I449-M520 WeakPolarHBondContact O-CA 3.36Å; T457-M520 HydrophobicContact CG2-CE 4.37Å; T457-M520 HydrophobicContact CG2-SD 4.2Å; T457-M520 PolarHBondContact O-N 3.13Å; I459-M520 HydrophobicContact CB-CE 4.4Å; I459-M520 HydrophobicContact CD1-CG 4.4Å; I459-M520 HydrophobicContact CG1-CE 4.11Å; I459-M520 HydrophobicContact CG1-CG 3.58Å; P460-M520 VanDerWaalsContact CD-CE 3.42Å; P460-M520 HydrophobicContact CG-CE 4.46Å; M520-V524 HydrophobicContact CB-CB 4.24Å; M520-V524 HydrophobicContact CB-CG2 4.08Å; M520-V524 HydrophobicContact SD-CB 4.42Å; M520-V524 HydrophobicContact SD-CG1 3.87Å
521	D	91.2	Very high	96.4	Very high	6 Å²	6	20.2 Å²	20.2	3%	0.032	12%	0.119	C	C	.	.	P	Polyproline II helix	trans	-57.3	144.3	167.5	-176.5	-95.6	0	0	0	111.8	Q219 I449 R451 F523 V524	Q219-D521 PolarHBondContact NE2-OD2 2.98Å; I449-D521 PolarHBondContact O-N 3.35Å; R451-D521 HydrophobicContact CG-CB 4.16Å; R451-D521 IonicContact CZ-OD2 2.69Å; R451-D521 IonicContact NE-OD2 3.95Å; R451-D521 PolarHBondContact NE-OD2 2.75Å; R451-D521 IonicContact NH2-OD2 2.74Å; R451-D521 PolarHBondContact NH2-OD2 3.19Å; D521-F523 PolarHBondContact O-N 3.14Å; D521-F523 VanDerWaalsContact O-N 3.14Å; D521-F523 VanDerWaalsContact OD1-CB 3.23Å; D521-F523 WeakPolarHBondContact OD1-CB 3.24Å; D521-F523 WeakPolarHBondContact OD1-CD2 3.2Å; D521-F523 PolarHBondContact OD1-N 3.19Å; D521-V524 WeakPolarHBondContact O-CB 3.46Å; D521-V524 WeakPolarHBondContact O-CG2 3.12Å; D521-V524 PolarHBondContact O-N 3.3Å
522	T	91	Very high	96.5	Very high	12 Å²	12	18.9 Å²	18.9	7%	0.074	10%	0.104	C	C	.	.	H	α-helix	trans	-60	-25.2	-177.8	-166.9	0	0	0	0	113.7	Y92 D129 F131 V524 D525 S526	Y92-T522 HydrophobicContact CE1-CG2 4.38Å; D129-T522 PolarHBondContact OD1-OG1 3.19Å; F131-T522 PolarHBondContact O-OG1 3.09Å; T522-V524 PolarHBondContact O-N 3.43Å; T522-D525 PolarHBondContact O-N 2.89Å; T522-S526 PolarHBondContact O-N 2.76Å; T522-S526 PolarHBondContact O-OG 3.09Å
523	F	93.2	Very high	96.5	Very high	14 Å²	14	14.7 Å²	14.7	6%	0.061	7%	0.069	C	C	.	.	H	α-helix	trans	-67	-20.5	175.1	-71.3	-65.5	0	0	0	112.7	W447 D521 D525 S526 A527 M566 H567 Y570	W447-F523 HydrophobicContact CH2-CB 4.14Å; W447-F523 HydrophobicContact CZ2-CB 3.59Å; D521-F523 PolarHBondContact O-N 3.14Å; D521-F523 VanDerWaalsContact O-N 3.14Å; D521-F523 VanDerWaalsContact OD1-CB 3.23Å; D521-F523 WeakPolarHBondContact OD1-CB 3.24Å; D521-F523 WeakPolarHBondContact OD1-CD2 3.2Å; D521-F523 PolarHBondContact OD1-N 3.19Å; F523-D525 VanDerWaalsContact C-N 3.35Å; F523-S526 WeakPolarHBondContact CA-OG 3.29Å; F523-A527 WeakPolarHBondContact O-CB 3.21Å; F523-A527 PolarHBondContact O-N 3.43Å; F523-M566 HydrophobicContact CD2-CE 4.23Å; F523-M566 HydrophobicContact CE1-CB 4.33Å; F523-M566 HydrophobicContact CE2-CE 3.22Å; F523-M566 HydrophobicContact CZ-CB 4.21Å; F523-M566 HydrophobicContact CZ-CE 3.43Å; F523-M566 VanDerWaalsContact CZ-CE 3.43Å; F523-M566 HydrophobicContact CZ-SD 4.2Å; F523-H567 HydrophobicContact CD1-CB 4.07Å; F523-H567 HydrophobicContact CE1-CB 3.98Å; F523-Y570 HydrophobicContact CB-CD2 3.7Å; F523-Y570 HydrophobicContact CB-CE2 4.06Å; F523-Y570 HydrophobicContact CD1-CD2 4.39Å; F523-Y570 HydrophobicContact CD2-CE2 4.24Å; F523-Y570 AromaticContact CG-CD2 4Å; F523-Y570 HydrophobicContact CG-CD2 4Å; F523-Y570 HydrophobicContact CG-CE2 4.12Å
524	V	96.9	Very high	96.4	Very high	2 Å²	2	14.4 Å²	14.4	1%	0.012	7%	0.066	C	C	.	.	H	α-helix	trans	-66.9	-40.8	174.6	-170.2	0	0	0	0	110.3	T185 W447 I449 M520 D521 T522 A527 W528 F574	T185-V524 HydrophobicContact CG2-CB 4.41Å; T185-V524 HydrophobicContact CG2-CG1 3.69Å; W447-V524 HydrophobicContact CH2-CB 4.16Å; W447-V524 HydrophobicContact CH2-CG2 3.65Å; W447-V524 HydrophobicContact CZ2-CB 4.34Å; W447-V524 HydrophobicContact CZ2-CG2 3.48Å; W447-V524 VanDerWaalsContact CZ2-CG2 3.48Å; W447-V524 HydrophobicContact CZ3-CG2 4.48Å; I449-V524 HydrophobicContact CB-CG2 4.06Å; I449-V524 HydrophobicContact CG2-CG2 3.71Å; M520-V524 HydrophobicContact CB-CB 4.24Å; M520-V524 HydrophobicContact CB-CG2 4.08Å; M520-V524 HydrophobicContact SD-CB 4.42Å; M520-V524 HydrophobicContact SD-CG1 3.87Å; D521-V524 WeakPolarHBondContact O-CB 3.46Å; D521-V524 WeakPolarHBondContact O-CG2 3.12Å; D521-V524 PolarHBondContact O-N 3.3Å; T522-V524 PolarHBondContact O-N 3.43Å; V524-A527 PolarHBondContact O-N 2.81Å; V524-W528 VanDerWaalsContact O-CD1 3.31Å; V524-F574 HydrophobicContact CG1-CE2 4.4Å; V524-F574 HydrophobicContact CG1-CZ 4.02Å
525	D	97.1	Very high	96.3	Very high	0 Å²	0	10.3 Å²	10.3	0%	0	5%	0.05	C	C	.	.	H	α-helix	trans	-68.6	-40.7	177	-67.2	-51.2	0	0	0	111.9	T176 Y181 T185 T457 T522 F523	T176-D525 HydrophobicContact CG2-CB 4.05Å; Y181-D525 HydrophobicContact CE1-CB 4.07Å; Y181-D525 PolarHBondContact OH-O 3.14Å; T185-D525 WeakPolarHBondContact CB-OD1 3.36Å; T185-D525 VanDerWaalsContact CG2-OD1 3.29Å; T185-D525 WeakPolarHBondContact CG2-OD1 3.32Å; T185-D525 PolarHBondContact OG1-OD1 3.34Å; T457-D525 PolarHBondContact OG1-OD1 2.99Å; T457-D525 PolarHBondContact OG1-OD2 2.88Å; T457-D525 VanDerWaalsContact OG1-OD2 3.09Å; T522-D525 PolarHBondContact O-N 2.89Å; F523-D525 VanDerWaalsContact C-N 3.35Å
526	S	96.8	Very high	96.2	Very high	1 Å²	1	7.4 Å²	7.4	1%	0.007	4%	0.041	C	C	.	.	H	α-helix	trans	-80.8	-7.9	178.7	53.3	0	0	0	0	114.6	T522 F523 W528 Y529 H567	T522-S526 PolarHBondContact O-N 2.76Å; T522-S526 PolarHBondContact O-OG 3.09Å; F523-S526 WeakPolarHBondContact CA-OG 3.29Å; S526-W528 VanDerWaalsContact C-N 3.26Å; S526-W528 PolarHBondContact O-N 2.79Å; S526-Y529 WeakPolarHBondContact O-CD1 3.43Å; S526-H567 PolarHBondContact O-CE1 3.44Å
527	A	97.8	Very high	96.1	Very high	0 Å²	0	13.6 Å²	13.6	0%	0	7%	0.069	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.1	-10.4	178.4	0	0	0	0	0	114.7	W447 F523 V524 Y530 A571 F574	W447-A527 HydrophobicContact CH2-CB 4.32Å; F523-A527 WeakPolarHBondContact O-CB 3.21Å; F523-A527 PolarHBondContact O-N 3.43Å; V524-A527 PolarHBondContact O-N 2.81Å; A527-Y530 WeakPolarHBondContact O-CE1 3.08Å; A527-Y530 PolarHBondContact O-OH 2.96Å; A527-A571 WeakPolarHBondContact O-CA 3.47Å; A527-F574 HydrophobicContact CB-CB 4.28Å; A527-F574 HydrophobicContact CB-CD2 3.36Å; A527-F574 HydrophobicContact CB-CE2 3.83Å; A527-F574 HydrophobicContact CB-CG 3.92Å; A527-F574 WeakPolarHBondContact O-CB 3.33Å
528	W	98.4	Very high	96.2	Very high	0 Å²	0	13 Å²	13	0%	0	7%	0.065	C	C	.	.	T	Hydrogen-bonded Turn	trans	-141.2	-0.9	-175	71.9	-83.6	0	0	0	115.1	Y181 W184 T185 L188 V524 S526 Y530 F531 R532 P542 F543 F574	Y181-W528 HydrophobicContact CD1-CZ2 4.18Å; Y181-W528 HydrophobicContact CD2-CH2 4.38Å; Y181-W528 HydrophobicContact CD2-CZ2 4.38Å; Y181-W528 AromaticContact CE1-CZ2 3.66Å; Y181-W528 HydrophobicContact CE1-CZ2 3.66Å; Y181-W528 AromaticContact CE2-CH2 3.96Å; Y181-W528 HydrophobicContact CE2-CH2 3.96Å; Y181-W528 AromaticContact CE2-CZ2 3.86Å; Y181-W528 HydrophobicContact CE2-CZ2 3.86Å; Y181-W528 AromaticContact CZ-CE2 3.76Å; Y181-W528 AromaticContact CZ-CZ2 3.48Å; Y181-W528 VanDerWaalsContact CZ-CZ2 3.48Å; W184-W528 HydrophobicContact CB-CH2 3.38Å; W184-W528 HydrophobicContact CB-CZ2 3.76Å; W184-W528 HydrophobicContact CB-CZ3 4.21Å; W184-W528 HydrophobicContact CG-CH2 4.28Å; T185-W528 PolarHBondContact OG1-NE1 2.76Å; T185-W528 VanDerWaalsContact OG1-NE1 3.14Å; L188-W528 HydrophobicContact CD1-CB 4.2Å; L188-W528 HydrophobicContact CD1-CD2 3.58Å; L188-W528 HydrophobicContact CD1-CE3 4.01Å; L188-W528 HydrophobicContact CD1-CG 3.64Å; V524-W528 VanDerWaalsContact O-CD1 3.31Å; S526-W528 VanDerWaalsContact C-N 3.26Å; S526-W528 PolarHBondContact O-N 2.79Å; W528-Y530 PolarHBondContact O-N 3.46Å; W528-F531 HydrophobicContact CB-CD2 4.45Å; W528-F531 WeakPolarHBondContact O-CB 3.17Å; W528-F531 PolarHBondContact O-N 3.03Å; W528-R532 HydrophobicContact CE3-CB 4.23Å; W528-R532 HydrophobicContact CH2-CB 4.03Å; W528-R532 HydrophobicContact CH2-CG 4.15Å; W528-R532 HydrophobicContact CZ3-CB 3.6Å; W528-R532 HydrophobicContact CZ3-CG 4.14Å; W528-P542 HydrophobicContact CZ3-CB 3.96Å; W528-F543 HydrophobicContact CZ3-CD1 4.48Å; W528-F574 HydrophobicContact CB-CD1 4.16Å
529	Y	98.6	Very high	96.3	Very high	1 Å²	1	16.1 Å²	16.1	0%	0.004	9%	0.088	C	C	.	.	H	α-helix	trans	-54.6	-29.6	-175.3	81.7	-65.7	0	0	0	115	L87 F90 I174 Y181 S526 F531 R532 Y533 Y557 H567	L87-Y529 HydrophobicContact CD1-CE2 4.32Å; L87-Y529 HydrophobicContact CD2-CE2 4.34Å; F90-Y529 HydrophobicContact CB-CE2 4.16Å; F90-Y529 HydrophobicContact CD1-CD2 4.17Å; F90-Y529 AromaticContact CD1-CE2 3.78Å; F90-Y529 HydrophobicContact CD1-CE2 3.78Å; F90-Y529 AromaticContact CD2-CD2 3.59Å; F90-Y529 HydrophobicContact CD2-CD2 3.59Å; F90-Y529 AromaticContact CD2-CE2 3.84Å; F90-Y529 HydrophobicContact CD2-CE2 3.84Å; F90-Y529 HydrophobicContact CD2-CG 4.44Å; F90-Y529 HydrophobicContact CE1-CD2 4.16Å; F90-Y529 HydrophobicContact CE1-CE2 4.11Å; F90-Y529 HydrophobicContact CE1-CG 4.4Å; F90-Y529 AromaticContact CE2-CD2 3.57Å; F90-Y529 HydrophobicContact CE2-CD2 3.57Å; F90-Y529 HydrophobicContact CE2-CE2 4.15Å; F90-Y529 AromaticContact CE2-CG 3.98Å; F90-Y529 HydrophobicContact CE2-CG 3.98Å; F90-Y529 AromaticContact CG-CD2 3.92Å; F90-Y529 HydrophobicContact CG-CD2 3.92Å; F90-Y529 AromaticContact CG-CE2 3.65Å; F90-Y529 HydrophobicContact CG-CE2 3.65Å; F90-Y529 HydrophobicContact CZ-CD1 4.48Å; F90-Y529 AromaticContact CZ-CD2 3.88Å; F90-Y529 HydrophobicContact CZ-CD2 3.88Å; F90-Y529 HydrophobicContact CZ-CE2 4.29Å; F90-Y529 AromaticContact CZ-CG 3.97Å; F90-Y529 HydrophobicContact CZ-CG 3.97Å; I174-Y529 HydrophobicContact CD1-CD2 4.21Å; Y181-Y529 VanDerWaalsContact OH-CA 3.25Å; Y181-Y529 WeakPolarHBondContact OH-CA 3.43Å; Y181-Y529 WeakPolarHBondContact OH-CB 3.32Å; S526-Y529 WeakPolarHBondContact O-CD1 3.43Å; Y529-F531 VanDerWaalsContact C-N 3.26Å; Y529-F531 PolarHBondContact O-N 2.65Å; Y529-R532 PolarHBondContact O-N 2.7Å; Y529-R532 VanDerWaalsContact O-N 3.07Å; Y529-Y533 AromaticContact CD2-CD2 4Å; Y529-Y533 HydrophobicContact CD2-CD2 4Å; Y529-Y533 AromaticContact CD2-CE2 3.24Å; Y529-Y533 HydrophobicContact CD2-CE2 3.24Å; Y529-Y533 AromaticContact CD2-CZ 3.88Å; Y529-Y533 HydrophobicContact CE2-CD2 4.35Å; Y529-Y533 AromaticContact CE2-CE2 3.47Å; Y529-Y533 HydrophobicContact CE2-CE2 3.47Å; Y529-Y533 VanDerWaalsContact CE2-CE2 3.47Å; Y529-Y533 HydrophobicContact CG-CE2 4.34Å; Y529-Y533 WeakPolarHBondContact O-CD2 3.47Å; Y529-Y533 PolarHBondContact O-N 2.66Å; Y529-Y533 VanDerWaalsContact O-N 3.1Å; Y529-Y557 VanDerWaalsContact OH-CE2 3.23Å; Y529-Y557 WeakPolarHBondContact OH-CE2 3.19Å; Y529-Y557 PolarHBondContact OH-OH 2.94Å; Y529-H567 AromaticContact CE1-CE1 3.77Å
530	Y	98.6	Very high	96.3	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	13%	0.125	C	C	.	.	H	α-helix	trans	-63.7	-29.5	176.1	55.2	-95.7	0	0	0	112.7	Y85 A527 W528 M552 A571 P589 F590	Y85-Y530 PolarHBondContact OH-O 3.21Å; Y85-Y530 VanDerWaalsContact OH-O 3.09Å; A527-Y530 WeakPolarHBondContact O-CE1 3.08Å; A527-Y530 PolarHBondContact O-OH 2.96Å; W528-Y530 PolarHBondContact O-N 3.46Å; Y530-M552 HydrophobicContact CD2-CE 3.4Å; Y530-M552 HydrophobicContact CD2-SD 4.19Å; Y530-M552 HydrophobicContact CE2-CE 3.72Å; Y530-A571 HydrophobicContact CE1-CB 3.79Å; Y530-A571 PolarHBondContact OH-O 2.59Å; Y530-P589 HydrophobicContact CD2-CB 4.03Å; Y530-P589 HydrophobicContact CE1-CB 4.15Å; Y530-P589 HydrophobicContact CE2-CB 3.38Å; Y530-P589 VanDerWaalsContact CZ-CB 3.48Å; Y530-F590 AromaticContact CD1-CE1 3.78Å; Y530-F590 HydrophobicContact CD1-CE1 3.78Å; Y530-F590 AromaticContact CD1-CZ 3.93Å; Y530-F590 HydrophobicContact CD1-CZ 3.93Å; Y530-F590 HydrophobicContact CE1-CE1 4.24Å; Y530-F590 HydrophobicContact CE1-CZ 4.06Å; Y530-F590 AromaticContact CG-CE1 3.98Å; Y530-F590 HydrophobicContact CG-CE1 3.98Å
531	F	98.5	Very high	96.3	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-72.7	-42.1	169.3	-67	-56	0	0	0	111.3	W528 Y529 Y533 T534 F543 M552 C578 V584	W528-F531 HydrophobicContact CB-CD2 4.45Å; W528-F531 WeakPolarHBondContact O-CB 3.17Å; W528-F531 PolarHBondContact O-N 3.03Å; Y529-F531 VanDerWaalsContact C-N 3.26Å; Y529-F531 PolarHBondContact O-N 2.65Å; F531-Y533 VanDerWaalsContact C-N 3.27Å; F531-Y533 PolarHBondContact O-N 2.99Å; F531-T534 WeakPolarHBondContact O-CB 3.36Å; F531-T534 WeakPolarHBondContact O-CG2 3.47Å; F531-T534 PolarHBondContact O-N 3.06Å; F531-T534 PolarHBondContact O-OG1 2.92Å; F531-F543 HydrophobicContact CB-CD1 3.38Å; F531-F543 HydrophobicContact CB-CE1 3.44Å; F531-F543 VanDerWaalsContact CB-CE1 3.44Å; F531-F543 HydrophobicContact CB-CG 3.97Å; F531-F543 HydrophobicContact CB-CZ 4.08Å; F531-F543 HydrophobicContact CD1-CZ 4.43Å; F531-F543 AromaticContact CD2-CE1 3.91Å; F531-F543 HydrophobicContact CD2-CE1 3.91Å; F531-F543 HydrophobicContact CD2-CZ 4.12Å; F531-F543 HydrophobicContact CG-CD1 4.2Å; F531-F543 AromaticContact CG-CE1 3.78Å; F531-F543 HydrophobicContact CG-CE1 3.78Å; F531-F543 AromaticContact CG-CZ 4Å; F531-F543 HydrophobicContact CG-CZ 4Å; F531-M552 HydrophobicContact CD1-CE 3.9Å; F531-M552 HydrophobicContact CD1-CG 3.81Å; F531-M552 HydrophobicContact CD1-SD 4.08Å; F531-M552 HydrophobicContact CE1-CE 3.56Å; F531-M552 HydrophobicContact CE1-CG 3.85Å; F531-M552 HydrophobicContact CE1-SD 4.24Å; F531-M552 HydrophobicContact CZ-CE 4.31Å; F531-C578 HydrophobicContact CE2-CB 4.28Å; F531-V584 HydrophobicContact CD1-CG1 3.98Å; F531-V584 HydrophobicContact CE1-CB 4.19Å; F531-V584 HydrophobicContact CE1-CG1 3.58Å; F531-V584 HydrophobicContact CE1-CG2 4.09Å; F531-V584 HydrophobicContact CZ-CB 4.43Å; F531-V584 HydrophobicContact CZ-CG1 4.03Å; F531-V584 HydrophobicContact CZ-CG2 3.83Å
532	R	98.4	Very high	96.6	Very high	5 Å²	5	25.4 Å²	25.4	2%	0.019	13%	0.134	C	C	.	.	H	α-helix	trans	-61.2	-36.5	-177.1	-171.3	57.8	179.8	177.8	1.4	112.4	I174 Y181 W528 Y529 T534 D535 P536 N538 S541 P542	I174-R532 HydrophobicContact CG2-CG 3.97Å; Y181-R532 HydrophobicContact CD2-CG 3.93Å; Y181-R532 HydrophobicContact CE2-CB 3.92Å; Y181-R532 HydrophobicContact CE2-CG 3.83Å; W528-R532 HydrophobicContact CE3-CB 4.23Å; W528-R532 HydrophobicContact CH2-CB 4.03Å; W528-R532 HydrophobicContact CH2-CG 4.15Å; W528-R532 HydrophobicContact CZ3-CB 3.6Å; W528-R532 HydrophobicContact CZ3-CG 4.14Å; Y529-R532 PolarHBondContact O-N 2.7Å; Y529-R532 VanDerWaalsContact O-N 3.07Å; R532-T534 PolarHBondContact O-N 3.28Å; R532-T534 VanDerWaalsContact O-N 3.13Å; R532-D535 CarbonylContact O-C 3.5Å; R532-D535 PolarHBondContact O-N 3.41Å; R532-P536 PolarHBondContact NE-O 2.95Å; R532-P536 PolarHBondContact NH2-O 3.22Å; R532-P536 VanDerWaalsContact O-CA 3.22Å; R532-P536 WeakPolarHBondContact O-CA 3.43Å; R532-N538 PolarHBondContact NH1-O 2.54Å; R532-N538 PolarHBondContact NH2-O 3.03Å; R532-S541 PolarHBondContact NH1-O 3.05Å; R532-P542 WeakPolarHBondContact CD-O 3.32Å; R532-P542 PolarHBondContact NH1-O 2.99Å
533	Y	98.1	Very high	96.9	Very high	1 Å²	1	25 Å²	25	0%	0.004	13%	0.131	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.3	-24.2	175.5	-76.9	-47.6	0	0	0	114.5	Y85 L87 P125 M126 G127 R172 I174 Y529 F531 D535	Y85-Y533 WeakPolarHBondContact OH-CB 3.23Å; Y85-Y533 WeakPolarHBondContact OH-CD2 3.42Å; L87-Y533 HydrophobicContact CD1-CD2 3.96Å; L87-Y533 HydrophobicContact CD1-CE2 3.71Å; P125-Y533 HydrophobicContact CB-CD1 3.51Å; P125-Y533 HydrophobicContact CB-CD2 4.11Å; P125-Y533 HydrophobicContact CB-CE1 3.85Å; P125-Y533 HydrophobicContact CB-CE2 4.39Å; P125-Y533 HydrophobicContact CB-CG 3.66Å; P125-Y533 HydrophobicContact CG-CD1 4Å; P125-Y533 HydrophobicContact CG-CD2 3.66Å; P125-Y533 HydrophobicContact CG-CE1 4.43Å; P125-Y533 HydrophobicContact CG-CE2 4.12Å; P125-Y533 HydrophobicContact CG-CG 3.59Å; M126-Y533 VanDerWaalsContact C-OH 3.26Å; G127-Y533 VanDerWaalsContact CA-OH 3.25Å; G127-Y533 WeakPolarHBondContact CA-OH 3.27Å; G127-Y533 PolarHBondContact N-OH 3.48Å; R172-Y533 HydrophobicContact CB-CD1 4.48Å; R172-Y533 WeakPolarHBondContact CD-O 2.92Å; R172-Y533 PolarHBondContact NH1-O 3.27Å; R172-Y533 WeakPolarHBondContact O-CD1 3.4Å; R172-Y533 WeakPolarHBondContact O-CE1 3.48Å; I174-Y533 HydrophobicContact CB-CE1 4.29Å; I174-Y533 HydrophobicContact CD1-CD1 3.91Å; I174-Y533 HydrophobicContact CD1-CD2 4.41Å; I174-Y533 HydrophobicContact CD1-CE1 3.49Å; I174-Y533 VanDerWaalsContact CD1-CE1 3.49Å; I174-Y533 HydrophobicContact CD1-CE2 4.04Å; I174-Y533 HydrophobicContact CD1-CG 4.35Å; I174-Y533 HydrophobicContact CG1-CD1 4.17Å; I174-Y533 HydrophobicContact CG1-CE1 3.47Å; I174-Y533 VanDerWaalsContact CG1-CE1 3.47Å; I174-Y533 HydrophobicContact CG2-CD1 4.04Å; I174-Y533 HydrophobicContact CG2-CE1 4.1Å; Y529-Y533 AromaticContact CD2-CD2 4Å; Y529-Y533 HydrophobicContact CD2-CD2 4Å; Y529-Y533 AromaticContact CD2-CE2 3.24Å; Y529-Y533 HydrophobicContact CD2-CE2 3.24Å; Y529-Y533 AromaticContact CD2-CZ 3.88Å; Y529-Y533 HydrophobicContact CE2-CD2 4.35Å; Y529-Y533 AromaticContact CE2-CE2 3.47Å; Y529-Y533 HydrophobicContact CE2-CE2 3.47Å; Y529-Y533 VanDerWaalsContact CE2-CE2 3.47Å; Y529-Y533 HydrophobicContact CG-CE2 4.34Å; Y529-Y533 WeakPolarHBondContact O-CD2 3.47Å; Y529-Y533 PolarHBondContact O-N 2.66Å; Y529-Y533 VanDerWaalsContact O-N 3.1Å; F531-Y533 VanDerWaalsContact C-N 3.27Å; F531-Y533 PolarHBondContact O-N 2.99Å; Y533-D535 VanDerWaalsContact C-N 3.27Å; Y533-D535 PolarHBondContact O-N 3.33Å
534	T	96	Very high	97.1	Very high	2 Å²	2	27.5 Å²	27.5	1%	0.012	15%	0.146	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.1	-28.2	177.6	72.5	0	0	0	0	111.9	Y85 R172 F531 R532 V547 W551 M552	Y85-T534 HydrophobicContact CE2-CG2 4.23Å; R172-T534 PolarHBondContact NH1-O 3.21Å; F531-T534 WeakPolarHBondContact O-CB 3.36Å; F531-T534 WeakPolarHBondContact O-CG2 3.47Å; F531-T534 PolarHBondContact O-N 3.06Å; F531-T534 PolarHBondContact O-OG1 2.92Å; R532-T534 PolarHBondContact O-N 3.28Å; R532-T534 VanDerWaalsContact O-N 3.13Å; T534-V547 WeakPolarHBondContact O-CG1 3.43Å; T534-W551 HydrophobicContact CG2-CB 3.79Å; T534-W551 HydrophobicContact CG2-CG 4.38Å; T534-M552 HydrophobicContact CG2-CG 4.45Å
535	D	95.9	Very high	97.1	Very high	38 Å²	38	30.2 Å²	30.2	20%	0.203	16%	0.162	C	C	.	.	S	Bend	trans	-155.2	67.3	-177.6	-170.5	14.3	0	0	0	112	R532 Y533 H537 N538 F543 N544 V547	R532-D535 CarbonylContact O-C 3.5Å; R532-D535 PolarHBondContact O-N 3.41Å; Y533-D535 VanDerWaalsContact C-N 3.27Å; Y533-D535 PolarHBondContact O-N 3.33Å; D535-H537 VanDerWaalsContact C-N 3.3Å; D535-H537 PolarHBondContact O-N 3.1Å; D535-N538 HydrophobicContact CB-CB 4.48Å; D535-N538 WeakPolarHBondContact O-CB 3.26Å; D535-N538 PolarHBondContact O-N 3.05Å; D535-N538 VanDerWaalsContact OD2-CB 3.31Å; D535-N538 WeakPolarHBondContact OD2-CB 3.5Å; D535-N538 PolarHBondContact OD2-ND2 3.38Å; D535-F543 HydrophobicContact CB-CB 4.47Å; D535-N544 WeakPolarHBondContact OD2-CB 3.37Å; D535-N544 PolarHBondContact OD2-N 2.96Å; D535-N544 VanDerWaalsContact OD2-N 3.16Å; D535-V547 HydrophobicContact CB-CG1 4.38Å
536	P	96	Very high	97	Very high	13 Å²	13	33.5 Å²	33.5	8%	0.084	19%	0.189	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.2	-14.6	-164.7	24.2	-26.5	0	0	0	114.2	R172 I174 R532	R172-P536 HydrophobicContact CB-CG 3.87Å; R172-P536 HydrophobicContact CG-CG 4.02Å; I174-P536 HydrophobicContact CG2-CB 3.7Å; R532-P536 PolarHBondContact NE-O 2.95Å; R532-P536 PolarHBondContact NH2-O 3.22Å; R532-P536 VanDerWaalsContact O-CA 3.22Å; R532-P536 WeakPolarHBondContact O-CA 3.43Å
537	H	95.6	Very high	96.9	Very high	142 Å²	142	35.9 Å²	35.9	66%	0.657	20%	0.203	S	C	*	.	T	Hydrogen-bonded Turn	trans	-97.3	4.3	179.8	-58.5	-59.3	0	0	0	113	D171 D535 S539	D171-H537 PolarHBondContact O-NE2 3.09Å; D535-H537 VanDerWaalsContact C-N 3.3Å; D535-H537 PolarHBondContact O-N 3.1Å; H537-S539 PolarHBondContact O-N 2.93Å
538	N	96.4	Very high	96.8	Very high	20 Å²	20	35.9 Å²	35.9	11%	0.107	20%	0.203	C	C	.	.			trans	-70.3	119.9	-178.9	-169	-38.3	0	0	0	111.5	W184 R532 D535 H540 S541 N544	W184-N538 PolarHBondContact NE1-O 3.43Å; R532-N538 PolarHBondContact NH1-O 2.54Å; R532-N538 PolarHBondContact NH2-O 3.03Å; D535-N538 HydrophobicContact CB-CB 4.48Å; D535-N538 WeakPolarHBondContact O-CB 3.26Å; D535-N538 PolarHBondContact O-N 3.05Å; D535-N538 VanDerWaalsContact OD2-CB 3.31Å; D535-N538 WeakPolarHBondContact OD2-CB 3.5Å; D535-N538 PolarHBondContact OD2-ND2 3.38Å; N538-H540 PolarHBondContact OD1-N 2.99Å; N538-S541 PolarHBondContact ND2-OG 3.37Å; N538-S541 VanDerWaalsContact ND2-OG 3.08Å; N538-S541 PolarHBondContact OD1-N 3.08Å; N538-S541 PolarHBondContact OD1-O 3.02Å; N538-S541 PolarHBondContact OD1-OG 3.12Å; N538-N544 PolarHBondContact ND2-N 3.5Å
539	S	95.9	Very high	96.6	Very high	77 Å²	77	38.2 Å²	38.2	54%	0.538	22%	0.216	S	C	.	.	S	Bend	trans	-97.2	-4.7	-178.3	58	0	0	0	0	114.1	W184 H537	W184-S539 WeakPolarHBondContact CZ2-O 3.35Å; H537-S539 PolarHBondContact O-N 2.93Å
540	H	95.3	Very high	96.5	Very high	170 Å²	170	40.7 Å²	40.7	79%	0.787	23%	0.226	S	C	*	.	S	Bend	trans	-107.8	-23.6	-175.1	-60.4	-67	0	0	0	113.8	W184 N538	W184-H540 WeakPolarHBondContact CH2-O 3.49Å; N538-H540 PolarHBondContact OD1-N 2.99Å
541	S	96.6	Very high	96.3	Very high	34 Å²	34	41.2 Å²	41.2	24%	0.238	23%	0.228	C	C	.	.	S	Bend	trans	-149.1	161.9	179.2	53.4	0	0	0	0	111.2	W184 R532 N538 F543	W184-S541 VanDerWaalsContact CH2-CA 3.44Å; W184-S541 WeakPolarHBondContact CZ2-O 3.39Å; R532-S541 PolarHBondContact NH1-O 3.05Å; N538-S541 PolarHBondContact ND2-OG 3.37Å; N538-S541 VanDerWaalsContact ND2-OG 3.08Å; N538-S541 PolarHBondContact OD1-N 3.08Å; N538-S541 PolarHBondContact OD1-O 3.02Å; N538-S541 PolarHBondContact OD1-OG 3.12Å; S541-F543 PolarHBondContact O-N 3.45Å; S541-F543 VanDerWaalsContact O-N 3.15Å; S541-F543 PolarHBondContact OG-O 3.35Å
542	P	97.3	Very high	96.3	Very high	1 Å²	1	41.3 Å²	41.3	1%	0.006	23%	0.228	C	C	.	.	S	Bend	trans	-52.7	-36.1	173.7	-26.8	35	0	0	0	113.2	W184 Y187 W528 R532 M583	W184-P542 HydrophobicContact CB-CB 3.98Å; W184-P542 HydrophobicContact CB-CG 4.12Å; W184-P542 HydrophobicContact CD2-CB 4.32Å; W184-P542 HydrophobicContact CD2-CG 4.07Å; W184-P542 HydrophobicContact CE3-CB 4.38Å; W184-P542 VanDerWaalsContact CE3-CD 3.41Å; W184-P542 HydrophobicContact CE3-CG 3.63Å; W184-P542 HydrophobicContact CG-CB 4.17Å; W184-P542 HydrophobicContact CG-CG 4.3Å; W184-P542 HydrophobicContact CZ3-CG 4.43Å; Y187-P542 HydrophobicContact CD1-CG 3.57Å; Y187-P542 HydrophobicContact CE1-CG 3.86Å; Y187-P542 HydrophobicContact CG-CG 4.31Å; W528-P542 HydrophobicContact CZ3-CB 3.96Å; R532-P542 WeakPolarHBondContact CD-O 3.32Å; R532-P542 PolarHBondContact NH1-O 2.99Å; P542-M583 HydrophobicContact CG-CE 4.12Å
543	F	97.3	Very high	96.2	Very high	4 Å²	4	42.2 Å²	42.2	2%	0.018	24%	0.235	C	C	.	.	S	Bend	trans	-166.2	153.8	174.1	46	-94.3	0	0	0	108.2	W528 F531 D535 S541 A548 M583 V584	W528-F543 HydrophobicContact CZ3-CD1 4.48Å; F531-F543 HydrophobicContact CB-CD1 3.38Å; F531-F543 HydrophobicContact CB-CE1 3.44Å; F531-F543 VanDerWaalsContact CB-CE1 3.44Å; F531-F543 HydrophobicContact CB-CG 3.97Å; F531-F543 HydrophobicContact CB-CZ 4.08Å; F531-F543 HydrophobicContact CD1-CZ 4.43Å; F531-F543 AromaticContact CD2-CE1 3.91Å; F531-F543 HydrophobicContact CD2-CE1 3.91Å; F531-F543 HydrophobicContact CD2-CZ 4.12Å; F531-F543 HydrophobicContact CG-CD1 4.2Å; F531-F543 AromaticContact CG-CE1 3.78Å; F531-F543 HydrophobicContact CG-CE1 3.78Å; F531-F543 AromaticContact CG-CZ 4Å; F531-F543 HydrophobicContact CG-CZ 4Å; D535-F543 HydrophobicContact CB-CB 4.47Å; S541-F543 PolarHBondContact O-N 3.45Å; S541-F543 VanDerWaalsContact O-N 3.15Å; S541-F543 PolarHBondContact OG-O 3.35Å; F543-A548 HydrophobicContact CD2-CB 3.66Å; F543-A548 HydrophobicContact CE2-CB 4.14Å; F543-A548 HydrophobicContact CG-CB 4.44Å; F543-M583 HydrophobicContact CE1-CE 4.32Å; F543-M583 HydrophobicContact CE2-CB 4.24Å; F543-M583 HydrophobicContact CZ-CB 4.2Å; F543-M583 HydrophobicContact CZ-CE 3.94Å; F543-V584 HydrophobicContact CD2-CG1 4.4Å; F543-V584 HydrophobicContact CE2-CG1 3.44Å; F543-V584 VanDerWaalsContact CE2-CG1 3.44Å; F543-V584 HydrophobicContact CZ-CG1 3.86Å
544	N	96.9	Very high	96.2	Very high	67 Å²	67	42.1 Å²	42.1	36%	0.358	23%	0.234	S	C	.	.			trans	-73.9	126.2	170.9	-178.5	-75.8	0	0	0	111	D535 N538 A546 V547 A548	D535-N544 WeakPolarHBondContact OD2-CB 3.37Å; D535-N544 PolarHBondContact OD2-N 2.96Å; D535-N544 VanDerWaalsContact OD2-N 3.16Å; N538-N544 PolarHBondContact ND2-N 3.5Å; N544-A546 PolarHBondContact O-N 2.84Å; N544-A546 WeakPolarHBondContact OD1-CB 3.3Å; N544-A546 PolarHBondContact OD1-N 3.42Å; N544-V547 HydrophobicContact CB-CB 4.13Å; N544-V547 HydrophobicContact CB-CG2 3.93Å; N544-V547 PolarHBondContact O-N 2.79Å; N544-V547 PolarHBondContact OD1-N 3.2Å; N544-A548 WeakPolarHBondContact O-CB 3.37Å; N544-A548 PolarHBondContact O-N 3.23Å
545	T	96.6	Very high	96.3	Very high	58 Å²	58	43.4 Å²	43.4	36%	0.356	24%	0.241	S	C	.	.	H	α-helix	trans	-55.1	-45.9	-178.7	-62.9	0	0	0	0	113.5	V547 A548 D549 M583	T545-V547 VanDerWaalsContact C-N 3.31Å; T545-V547 PolarHBondContact O-N 2.63Å; T545-A548 PolarHBondContact O-N 3.08Å; T545-D549 WeakPolarHBondContact O-CB 3.45Å; T545-D549 VanDerWaalsContact O-CG 3.27Å; T545-D549 PolarHBondContact O-N 3.27Å; T545-M583 WeakPolarHBondContact CB-O 3.47Å; T545-M583 VanDerWaalsContact CG2-O 3.23Å; T545-M583 WeakPolarHBondContact CG2-O 3.49Å; T545-M583 PolarHBondContact OG1-O 3.22Å
546	A	95.1	Very high	96.4	Very high	69 Å²	69	41.6 Å²	41.6	57%	0.57	23%	0.232	S	C	*	.	H	α-helix	trans	-69.1	-30.7	-177.7	0	0	0	0	0	112.6	N544 Y550	N544-A546 PolarHBondContact O-N 2.84Å; N544-A546 WeakPolarHBondContact OD1-CB 3.3Å; N544-A546 PolarHBondContact OD1-N 3.42Å; A546-Y550 PolarHBondContact O-N 2.73Å
547	V	94.6	Very high	96.5	Very high	51 Å²	51	41 Å²	41	31%	0.309	23%	0.228	S	C	.	.	H	α-helix	trans	-75.2	-42.6	175.3	-178.6	0	0	0	0	110.6	T534 D535 N544 T545 Y550 W551	T534-V547 WeakPolarHBondContact O-CG1 3.43Å; D535-V547 HydrophobicContact CB-CG1 4.38Å; N544-V547 HydrophobicContact CB-CB 4.13Å; N544-V547 HydrophobicContact CB-CG2 3.93Å; N544-V547 PolarHBondContact O-N 2.79Å; N544-V547 PolarHBondContact OD1-N 3.2Å; T545-V547 VanDerWaalsContact C-N 3.31Å; T545-V547 PolarHBondContact O-N 2.63Å; V547-Y550 PolarHBondContact O-N 2.89Å; V547-W551 PolarHBondContact O-N 2.94Å
548	A	95.9	Very high	96.5	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-60.5	-47.1	174	0	0	0	0	0	110.9	F543 N544 T545 Y550 W551 M552 V584	F543-A548 HydrophobicContact CD2-CB 3.66Å; F543-A548 HydrophobicContact CE2-CB 4.14Å; F543-A548 HydrophobicContact CG-CB 4.44Å; N544-A548 WeakPolarHBondContact O-CB 3.37Å; N544-A548 PolarHBondContact O-N 3.23Å; T545-A548 PolarHBondContact O-N 3.08Å; A548-Y550 VanDerWaalsContact C-N 3.25Å; A548-Y550 PolarHBondContact O-N 3.45Å; A548-W551 PolarHBondContact O-N 3.44Å; A548-W551 VanDerWaalsContact O-N 3.14Å; A548-M552 WeakPolarHBondContact O-CB 3.44Å; A548-M552 VanDerWaalsContact O-CG 3.22Å; A548-M552 WeakPolarHBondContact O-CG 3.29Å; A548-M552 PolarHBondContact O-N 2.94Å; A548-V584 HydrophobicContact CB-CG1 4.11Å
549	D	95.7	Very high	96.3	Very high	50 Å²	50	33.4 Å²	33.4	27%	0.267	19%	0.192	S	C	.	.	H	α-helix	trans	-63.9	-26.5	178.7	-75.8	-13.1	0	0	0	113.6	T545 V584 K585	T545-D549 WeakPolarHBondContact O-CB 3.45Å; T545-D549 VanDerWaalsContact O-CG 3.27Å; T545-D549 PolarHBondContact O-N 3.27Å; D549-V584 WeakPolarHBondContact OD1-CA 3.35Å; D549-K585 WeakPolarHBondContact OD1-CB 3.28Å; D549-K585 PolarHBondContact OD1-N 3.37Å
550	Y	94.8	Very high	95.9	Very high	53 Å²	53	29.9 Å²	29.9	21%	0.208	17%	0.168	C	C	.	.	H	α-helix	trans	-71	-44.3	172.5	172.6	-98.6	0	0	0	111.7	A77 K79 K83 A546 V547 A548	A77-Y550 HydrophobicContact CB-CE1 4.49Å; K79-Y550 HydrophobicContact CG-CE2 4.35Å; K83-Y550 HydrophobicContact CB-CE1 4.11Å; K83-Y550 WeakPolarHBondContact CG-O 3.07Å; A546-Y550 PolarHBondContact O-N 2.73Å; V547-Y550 PolarHBondContact O-N 2.89Å; A548-Y550 VanDerWaalsContact C-N 3.25Å; A548-Y550 PolarHBondContact O-N 3.45Å
551	W	95.9	Very high	95.4	Very high	10 Å²	10	27.2 Å²	27.2	4%	0.038	15%	0.154	C	C	.	.	H	α-helix	trans	-85.8	-31	-174.8	-75	114.2	0	0	0	113.9	K83 Y85 Q121 I123 T534 V547 A548 P553	K83-W551 HydrophobicContact CB-CE3 4.02Å; K83-W551 HydrophobicContact CB-CZ3 3.83Å; K83-W551 HydrophobicContact CD-CE3 4.33Å; K83-W551 VanDerWaalsContact CE-O 3.28Å; K83-W551 WeakPolarHBondContact CE-O 3.48Å; K83-W551 PolarHBondContact NZ-O 3.34Å; Y85-W551 HydrophobicContact CD2-CB 4.27Å; Q121-W551 HydrophobicContact CB-CH2 4.07Å; Q121-W551 WeakPolarHBondContact O-CZ3 3.25Å; I123-W551 HydrophobicContact CB-CH2 4.44Å; I123-W551 HydrophobicContact CB-CZ3 4.35Å; I123-W551 HydrophobicContact CD1-CB 4.24Å; I123-W551 HydrophobicContact CD1-CD2 3.57Å; I123-W551 HydrophobicContact CD1-CE3 3.66Å; I123-W551 HydrophobicContact CD1-CG 3.84Å; I123-W551 HydrophobicContact CD1-CZ3 4.26Å; I123-W551 HydrophobicContact CG1-CD2 4.04Å; I123-W551 HydrophobicContact CG1-CE3 3.63Å; I123-W551 HydrophobicContact CG1-CH2 4.3Å; I123-W551 HydrophobicContact CG1-CZ3 3.77Å; I123-W551 HydrophobicContact CG2-CD2 4.45Å; I123-W551 HydrophobicContact CG2-CE3 4.39Å; I123-W551 HydrophobicContact CG2-CH2 3.61Å; I123-W551 HydrophobicContact CG2-CZ2 3.65Å; I123-W551 HydrophobicContact CG2-CZ3 3.98Å; T534-W551 HydrophobicContact CG2-CB 3.79Å; T534-W551 HydrophobicContact CG2-CG 4.38Å; V547-W551 PolarHBondContact O-N 2.94Å; A548-W551 PolarHBondContact O-N 3.44Å; A548-W551 VanDerWaalsContact O-N 3.14Å; W551-P553 VanDerWaalsContact O-O 3.08Å
552	M	96.9	Very high	94.7	Very high	3 Å²	3	29.1 Å²	29.1	2%	0.015	16%	0.159	C	C	.	.	P	Polyproline II helix	trans	-83.5	155.2	-175.5	-66.9	-60.1	-69.9	0	0	112.1	Y85 Y530 F531 T534 A548 V554 H586 P589	Y85-M552 HydrophobicContact CD2-SD 4.14Å; Y85-M552 HydrophobicContact CE2-SD 3.97Å; Y530-M552 HydrophobicContact CD2-CE 3.4Å; Y530-M552 HydrophobicContact CD2-SD 4.19Å; Y530-M552 HydrophobicContact CE2-CE 3.72Å; F531-M552 HydrophobicContact CD1-CE 3.9Å; F531-M552 HydrophobicContact CD1-CG 3.81Å; F531-M552 HydrophobicContact CD1-SD 4.08Å; F531-M552 HydrophobicContact CE1-CE 3.56Å; F531-M552 HydrophobicContact CE1-CG 3.85Å; F531-M552 HydrophobicContact CE1-SD 4.24Å; F531-M552 HydrophobicContact CZ-CE 4.31Å; T534-M552 HydrophobicContact CG2-CG 4.45Å; A548-M552 WeakPolarHBondContact O-CB 3.44Å; A548-M552 VanDerWaalsContact O-CG 3.22Å; A548-M552 WeakPolarHBondContact O-CG 3.29Å; A548-M552 PolarHBondContact O-N 2.94Å; M552-V554 HydrophobicContact CE-CG2 4.23Å; M552-V554 HydrophobicContact SD-CG2 4.13Å; M552-H586 PolarHBondContact O-CD2 3.05Å; M552-H586 PolarHBondContact O-NE2 3.29Å; M552-P589 HydrophobicContact CE-CB 4.23Å; M552-P589 VanDerWaalsContact CE-O 3.29Å; M552-P589 WeakPolarHBondContact CE-O 3.33Å
553	P	97.5	Very high	94.2	Very high	23 Å²	23	30.9 Å²	30.9	15%	0.149	17%	0.167	C	C	.	.	S	Bend	cis	-67.3	166	-8.5	33.2	-37.1	0	0	0	111.6	K83 W551 D555 H591	K83-P553 PolarHBondContact NZ-O 2.71Å; W551-P553 VanDerWaalsContact O-O 3.08Å; P553-D555 PolarHBondContact O-N 3.22Å; P553-H591 HydrophobicContact CG-CB 4.11Å
554	V	98.6	Very high	93.7	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-59	124.4	166.7	178.7	0	0	0	0	107.8	Y85 L87 M552 L556 Y557 P589 F590 H591	Y85-V554 HydrophobicContact CD1-CG1 4.48Å; Y85-V554 HydrophobicContact CD2-CB 4.38Å; Y85-V554 HydrophobicContact CD2-CG2 3.8Å; Y85-V554 HydrophobicContact CE2-CG2 3.74Å; Y85-V554 HydrophobicContact CG-CB 4.5Å; Y85-V554 HydrophobicContact CG-CG1 4.4Å; Y85-V554 HydrophobicContact CG-CG2 4.27Å; Y85-V554 WeakPolarHBondContact O-CG1 3.42Å; L87-V554 HydrophobicContact CB-CG1 3.7Å; L87-V554 HydrophobicContact CD2-CG2 4.05Å; M552-V554 HydrophobicContact CE-CG2 4.23Å; M552-V554 HydrophobicContact SD-CG2 4.13Å; V554-L556 WeakPolarHBondContact CG1-O 3.27Å; V554-Y557 HydrophobicContact CG1-CD2 4.46Å; V554-P589 WeakPolarHBondContact CB-O 3.49Å; V554-P589 PolarHBondContact N-O 3.43Å; V554-F590 HydrophobicContact CB-CD1 3.93Å; V554-F590 HydrophobicContact CG2-CD1 3.89Å; V554-F590 HydrophobicContact CG2-CE1 4.32Å; V554-H591 WeakPolarHBondContact O-CB 3.47Å; V554-H591 PolarHBondContact O-N 3.16Å
555	D	98.1	Very high	93.1	Very high	29 Å²	29	29.2 Å²	29.2	16%	0.155	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.8	-40.1	-176.3	-61.4	-74.5	0	0	0	111.3	K83 Y84 Y85 P553 K592	K83-D555 WeakPolarHBondContact CD-OD2 3.46Å; K83-D555 IonicContact NZ-OD1 2.74Å; K83-D555 PolarHBondContact NZ-OD1 3.37Å; K83-D555 IonicContact NZ-OD2 2.82Å; K83-D555 PolarHBondContact NZ-OD2 3.47Å; Y84-D555 WeakPolarHBondContact CA-OD2 3.15Å; Y84-D555 HydrophobicContact CD1-CB 4.35Å; Y84-D555 HydrophobicContact CD2-CB 3.93Å; Y84-D555 HydrophobicContact CE1-CB 4.2Å; Y84-D555 HydrophobicContact CE2-CB 3.76Å; Y84-D555 HydrophobicContact CG-CB 4.25Å; Y85-D555 PolarHBondContact N-OD2 3.24Å; Y85-D555 PolarHBondContact O-N 3.12Å; P553-D555 PolarHBondContact O-N 3.22Å; D555-K592 WeakPolarHBondContact O-CB 3.43Å; D555-K592 PolarHBondContact O-N 3.1Å
556	L	97.8	Very high	92.6	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	117.2	174.8	-179.9	66.1	0	0	0	111.4	Y84 Y85 V86 L87 I111 V554 I558 K592 L594 F747	Y84-L556 HydrophobicContact CE1-CB 4.21Å; Y85-L556 PolarHBondContact O-N 3.49Å; V86-L556 HydrophobicContact CG2-CD2 4.35Å; L87-L556 PolarHBondContact N-O 3.4Å; I111-L556 HydrophobicContact CD1-CD2 3.34Å; I111-L556 HydrophobicContact CG2-CD2 4.07Å; V554-L556 WeakPolarHBondContact CG1-O 3.27Å; L556-I558 HydrophobicContact CD2-CD1 4.05Å; L556-I558 HydrophobicContact CD2-CG1 4.06Å; L556-I558 HydrophobicContact CG-CD1 4.4Å; L556-I558 HydrophobicContact CG-CG1 3.96Å; L556-K592 HydrophobicContact CD1-CB 3.96Å; L556-L594 HydrophobicContact CD1-CB 4.05Å; L556-F747 HydrophobicContact CD1-CD2 4.19Å; L556-F747 HydrophobicContact CD1-CE1 4.4Å; L556-F747 HydrophobicContact CD1-CE2 3.57Å; L556-F747 HydrophobicContact CD1-CZ 3.69Å; L556-F747 HydrophobicContact CD2-CD1 4.03Å; L556-F747 HydrophobicContact CD2-CE1 3.63Å; L556-F747 HydrophobicContact CD2-CE2 4.28Å; L556-F747 HydrophobicContact CD2-CZ 3.77Å; L556-F747 HydrophobicContact CG-CZ 4.23Å
557	Y	97.9	Very high	92.5	Very high	1 Å²	1	24.9 Å²	24.9	0%	0.004	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	130.7	171.4	-165	-115	0	0	0	110.8	L87 M89 Y529 V554 H567 L568 F590 K592 L593 L594	L87-Y557 HydrophobicContact CB-CD2 3.92Å; L87-Y557 HydrophobicContact CB-CE2 4.34Å; L87-Y557 HydrophobicContact CD2-CD2 3.76Å; L87-Y557 HydrophobicContact CD2-CE2 3.54Å; L87-Y557 HydrophobicContact CG-CD2 3.78Å; L87-Y557 HydrophobicContact CG-CE2 3.68Å; L87-Y557 CarbonylContact O-C 3.52Å; L87-Y557 WeakPolarHBondContact O-CA 3.31Å; M89-Y557 HydrophobicContact CE-CD1 4.32Å; M89-Y557 HydrophobicContact CE-CE1 3.49Å; M89-Y557 VanDerWaalsContact CE-CE1 3.49Å; M89-Y557 HydrophobicContact CG-CE1 3.77Å; M89-Y557 WeakPolarHBondContact CG-OH 3.28Å; M89-Y557 HydrophobicContact SD-CE1 4.49Å; Y529-Y557 VanDerWaalsContact OH-CE2 3.23Å; Y529-Y557 WeakPolarHBondContact OH-CE2 3.19Å; Y529-Y557 PolarHBondContact OH-OH 2.94Å; V554-Y557 HydrophobicContact CG1-CD2 4.46Å; Y557-H567 AromaticContact CE1-NE2 3.86Å; Y557-H567 AromaticContact CZ-NE2 3.62Å; Y557-H567 PolarHBondContact OH-NE2 3.01Å; Y557-L568 HydrophobicContact CD1-CD2 3.81Å; Y557-L568 HydrophobicContact CE1-CD2 3.6Å; Y557-F590 HydrophobicContact CD1-CD1 4.33Å; Y557-F590 HydrophobicContact CD1-CD2 4.14Å; Y557-F590 HydrophobicContact CD1-CE1 4.4Å; Y557-F590 HydrophobicContact CD1-CE2 4.22Å; Y557-F590 HydrophobicContact CD1-CG 4.22Å; Y557-F590 HydrophobicContact CD1-CZ 4.35Å; Y557-F590 AromaticContact CD2-CD1 3.79Å; Y557-F590 HydrophobicContact CD2-CD1 3.79Å; Y557-F590 AromaticContact CD2-CE1 3.79Å; Y557-F590 HydrophobicContact CD2-CE1 3.79Å; Y557-F590 HydrophobicContact CD2-CG 4.41Å; Y557-F590 HydrophobicContact CD2-CZ 4.41Å; Y557-F590 HydrophobicContact CE1-CE1 4.48Å; Y557-F590 HydrophobicContact CE1-CE2 4.25Å; Y557-F590 HydrophobicContact CE1-CZ 4.17Å; Y557-F590 HydrophobicContact CE2-CD1 4.38Å; Y557-F590 AromaticContact CE2-CE1 3.9Å; Y557-F590 HydrophobicContact CE2-CE1 3.9Å; Y557-F590 HydrophobicContact CE2-CZ 4.25Å; Y557-F590 HydrophobicContact CG-CB 4.47Å; Y557-F590 AromaticContact CG-CD1 3.77Å; Y557-F590 HydrophobicContact CG-CD1 3.77Å; Y557-F590 HydrophobicContact CG-CD2 4.32Å; Y557-F590 HydrophobicContact CG-CE1 4.05Å; Y557-F590 AromaticContact CG-CG 3.92Å; Y557-F590 HydrophobicContact CG-CG 3.92Å; Y557-F590 HydrophobicContact CG-CZ 4.46Å; Y557-K592 PolarHBondContact N-O 3.35Å; Y557-L593 HydrophobicContact CD1-CD1 3.64Å; Y557-L593 HydrophobicContact CG-CD1 4.38Å; Y557-L593 CarbonylContact O-C 3.54Å; Y557-L593 WeakPolarHBondContact O-CA 3.07Å; Y557-L594 PolarHBondContact O-N 3.35Å
558	I	96.4	Very high	92.6	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	123	-174.6	-53.8	161	0	0	0	108.9	V86 L87 S88 M89 V104 I107 I111 L556 L594	V86-I558 HydrophobicContact CG2-CD1 3.82Å; L87-I558 PolarHBondContact O-N 2.58Å; S88-I558 WeakPolarHBondContact CA-O 3.47Å; M89-I558 PolarHBondContact N-O 3.13Å; V104-I558 HydrophobicContact CG1-CG2 4Å; I107-I558 HydrophobicContact CG2-CD1 3.95Å; I107-I558 HydrophobicContact CG2-CG2 4.4Å; I111-I558 HydrophobicContact CD1-CD1 4.37Å; L556-I558 HydrophobicContact CD2-CD1 4.05Å; L556-I558 HydrophobicContact CD2-CG1 4.06Å; L556-I558 HydrophobicContact CG-CD1 4.4Å; L556-I558 HydrophobicContact CG-CG1 3.96Å; I558-L594 HydrophobicContact CG1-CB 4.25Å; I558-L594 HydrophobicContact CG1-CD2 4.42Å; I558-L594 HydrophobicContact CG2-CD2 4.39Å
559	G	92.3	Very high	92.6	Very high	1 Å²	1	22.6 Å²	22.6	1%	0.01	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-170.9	174.8	-173.2	0	0	0	0	0	114.6	M89 L594 A595 Q596	M89-G559 WeakPolarHBondContact SD-CA 3.49Å; G559-L594 PolarHBondContact N-O 3.39Å; G559-L594 VanDerWaalsContact N-O 3.14Å; G559-A595 CarbonylContact O-C 3.47Å; G559-A595 WeakPolarHBondContact O-CA 3.41Å; G559-Q596 WeakPolarHBondContact O-CG 3.26Å; G559-Q596 PolarHBondContact O-N 3.47Å
560	G	86.3	Confident	92.7	Very high	3 Å²	3	20.4 Å²	20.4	3%	0.031	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	143.3	179.7	0	0	0	0	0	112.7	E562 H563	G560-E562 WeakPolarHBondContact CA-OE2 3.31Å; G560-E562 PolarHBondContact O-N 2.94Å; G560-H563 PolarHBondContact O-N 3.17Å
561	K	85.3	Confident	92.9	Very high	114 Å²	114	17.9 Å²	17.9	50%	0.496	9%	0.088	S	C	.	.	G	3₁₀ helix	trans	-63	-21.2	176.4	66.5	179.3	179.1	-178.3	0	113.6	I265 H563 A564 A595	I265-K561 HydrophobicContact CD1-CB 4.28Å; K561-H563 PolarHBondContact O-N 3.4Å; K561-H563 VanDerWaalsContact O-N 3.09Å; K561-A564 VanDerWaalsContact O-CB 3.28Å; K561-A564 WeakPolarHBondContact O-CB 3.47Å; K561-A564 PolarHBondContact O-N 3.24Å; K561-A564 VanDerWaalsContact O-N 3.12Å; K561-A595 HydrophobicContact CB-CB 4.41Å
562	E	81.9	Confident	93	Very high	74 Å²	74	17.4 Å²	17.4	35%	0.346	9%	0.086	S	C	.	.	G	3₁₀ helix	trans	-59.7	-17.9	175.6	63.2	-95	-133.3	0	0	113.2	G560 K639	G560-E562 WeakPolarHBondContact CA-OE2 3.31Å; G560-E562 PolarHBondContact O-N 2.94Å; E562-K639 IonicContact OE1-NZ 3.54Å; E562-K639 PolarHBondContact OE1-NZ 3.01Å
563	H	87.3	Confident	93	Very high	39 Å²	39	17.3 Å²	17.3	18%	0.181	9%	0.086	C	C	.	.	G	3₁₀ helix	trans	-94.7	9.4	-179.5	-69.5	-57.2	0	0	0	113.6	M89 G560 K561 V565 H567 L568	M89-H563 HydrophobicContact CE-CB 3.66Å; M89-H563 HydrophobicContact SD-CB 4.17Å; M89-H563 PolarHBondContact SD-CD2 3.21Å; G560-H563 PolarHBondContact O-N 3.17Å; K561-H563 PolarHBondContact O-N 3.4Å; K561-H563 VanDerWaalsContact O-N 3.09Å; H563-V565 PolarHBondContact O-N 3.12Å; H563-H567 HydrophobicContact CB-CB 4.06Å; H563-L568 WeakPolarHBondContact O-CB 3.21Å; H563-L568 WeakPolarHBondContact O-CG 3.41Å; H563-L568 PolarHBondContact O-N 3.21Å
564	A	85.8	Confident	93.1	Very high	3 Å²	3	16.3 Å²	16.3	3%	0.025	8%	0.079	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.6	-50	-175.8	0	0	0	0	0	114.4	I265 M268 Q269 K561	I265-A564 HydrophobicContact CD1-CB 3.59Å; I265-A564 HydrophobicContact CG2-CB 4.21Å; M268-A564 HydrophobicContact CB-CB 4.25Å; M268-A564 HydrophobicContact CE-CB 4.34Å; M268-A564 HydrophobicContact SD-CB 3.81Å; Q269-A564 WeakPolarHBondContact CG-O 3.29Å; Q269-A564 PolarHBondContact NE2-O 3.22Å; K561-A564 VanDerWaalsContact O-CB 3.28Å; K561-A564 WeakPolarHBondContact O-CB 3.47Å; K561-A564 PolarHBondContact O-N 3.24Å; K561-A564 VanDerWaalsContact O-N 3.12Å
565	V	85.5	Confident	93.1	Very high	32 Å²	32	16.3 Å²	16.3	19%	0.194	8%	0.079	C	C	.	.	T	Hydrogen-bonded Turn	trans	-106.9	-2.2	-172.3	-60.2	0	0	0	0	113.6	M268 W272 H563 F569	M268-V565 HydrophobicContact CB-CG1 4.15Å; W272-V565 HydrophobicContact CB-CB 4.18Å; W272-V565 HydrophobicContact CB-CG1 3.71Å; W272-V565 HydrophobicContact CD2-CB 3.78Å; W272-V565 HydrophobicContact CD2-CG1 4.17Å; W272-V565 HydrophobicContact CD2-CG2 4.22Å; W272-V565 HydrophobicContact CE3-CB 4.08Å; W272-V565 HydrophobicContact CE3-CG1 4.32Å; W272-V565 HydrophobicContact CE3-CG2 4.08Å; W272-V565 HydrophobicContact CG-CB 3.8Å; W272-V565 HydrophobicContact CG-CG1 3.9Å; W272-V565 HydrophobicContact CZ3-CG2 4.4Å; H563-V565 PolarHBondContact O-N 3.12Å; V565-F569 WeakPolarHBondContact O-CB 3.04Å
566	M	86	Confident	93.1	Very high	28 Å²	28	15 Å²	15	14%	0.138	7%	0.072	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104.7	-103.3	176.3	-61.2	174.7	85.7	0	0	109.3	E218 Q219 F523 L568 F569 Y570	E218-M566 HydrophobicContact CB-CE 3.68Å; E218-M566 HydrophobicContact CB-CG 3.63Å; E218-M566 HydrophobicContact CB-SD 4.03Å; E218-M566 HydrophobicContact CG-CG 4.04Å; Q219-M566 HydrophobicContact CG-CE 4.12Å; F523-M566 HydrophobicContact CD2-CE 4.23Å; F523-M566 HydrophobicContact CE1-CB 4.33Å; F523-M566 HydrophobicContact CE2-CE 3.22Å; F523-M566 HydrophobicContact CZ-CB 4.21Å; F523-M566 HydrophobicContact CZ-CE 3.43Å; F523-M566 VanDerWaalsContact CZ-CE 3.43Å; F523-M566 HydrophobicContact CZ-SD 4.2Å; M566-L568 VanDerWaalsContact C-N 3.33Å; M566-L568 PolarHBondContact O-N 3.36Å; M566-F569 WeakPolarHBondContact O-CA 3.11Å; M566-F569 WeakPolarHBondContact O-CB 3.38Å; M566-F569 PolarHBondContact O-N 2.87Å; M566-Y570 VanDerWaalsContact C-CD2 3.46Å; M566-Y570 HydrophobicContact CB-CE2 4.34Å; M566-Y570 VanDerWaalsContact O-CD2 3.23Å; M566-Y570 WeakPolarHBondContact O-CD2 3.46Å; M566-Y570 PolarHBondContact O-N 3.27Å
567	H	93.2	Very high	93.1	Very high	8 Å²	8	15 Å²	15	4%	0.037	7%	0.072	C	C	.	.	H	α-helix	trans	-45.2	-49.9	-179.7	168.5	72.5	0	0	0	113.9	F523 S526 Y529 Y557 H563 F569 Y570 A571	F523-H567 HydrophobicContact CD1-CB 4.07Å; F523-H567 HydrophobicContact CE1-CB 3.98Å; S526-H567 PolarHBondContact O-CE1 3.44Å; Y529-H567 AromaticContact CE1-CE1 3.77Å; Y557-H567 AromaticContact CE1-NE2 3.86Å; Y557-H567 AromaticContact CZ-NE2 3.62Å; Y557-H567 PolarHBondContact OH-NE2 3.01Å; H563-H567 HydrophobicContact CB-CB 4.06Å; H567-F569 VanDerWaalsContact C-N 3.3Å; H567-F569 PolarHBondContact O-N 3.27Å; H567-Y570 PolarHBondContact O-N 3.01Å; H567-A571 VanDerWaalsContact O-CB 3.24Å; H567-A571 WeakPolarHBondContact O-CB 3.16Å; H567-A571 PolarHBondContact O-N 3.2Å
568	L	96.3	Very high	93.1	Very high	2 Å²	2	15 Å²	15	1%	0.01	7%	0.072	C	C	.	.	H	α-helix	trans	-66.1	-33.9	-178.5	-70.8	178.4	0	0	0	112.2	M89 I265 Y557 H563 M566 R572 F590 L593	M89-L568 HydrophobicContact CE-CD2 4.25Å; M89-L568 HydrophobicContact CE-CG 4.31Å; I265-L568 HydrophobicContact CG2-CD1 4.05Å; Y557-L568 HydrophobicContact CD1-CD2 3.81Å; Y557-L568 HydrophobicContact CE1-CD2 3.6Å; H563-L568 WeakPolarHBondContact O-CB 3.21Å; H563-L568 WeakPolarHBondContact O-CG 3.41Å; H563-L568 PolarHBondContact O-N 3.21Å; M566-L568 VanDerWaalsContact C-N 3.33Å; M566-L568 PolarHBondContact O-N 3.36Å; L568-R572 WeakPolarHBondContact O-CG 3.44Å; L568-R572 PolarHBondContact O-N 3.38Å; L568-F590 HydrophobicContact CD2-CD2 3.89Å; L568-F590 HydrophobicContact CD2-CE2 3.55Å; L568-F590 HydrophobicContact CD2-CZ 4.49Å; L568-L593 HydrophobicContact CD1-CD1 4.2Å; L568-L593 HydrophobicContact CD1-CD2 3.6Å; L568-L593 HydrophobicContact CD2-CD1 4.3Å
569	F	96.1	Very high	93.2	Very high	2 Å²	2	17 Å²	17	1%	0.009	8%	0.081	C	C	.	.	H	α-helix	trans	-69.1	-48	175	176.5	-97.6	0	0	0	111.1	T245 M252 I273 L444 V565 M566 H567 A571 R572 F573	T245-F569 HydrophobicContact CG2-CE1 4.23Å; M252-F569 HydrophobicContact CE-CD2 4.42Å; M252-F569 HydrophobicContact CE-CE1 4.38Å; M252-F569 HydrophobicContact CE-CE2 3.48Å; M252-F569 VanDerWaalsContact CE-CE2 3.48Å; M252-F569 HydrophobicContact CE-CZ 3.46Å; M252-F569 VanDerWaalsContact CE-CZ 3.46Å; M252-F569 HydrophobicContact SD-CD2 4.42Å; M252-F569 HydrophobicContact SD-CE2 4.01Å; M252-F569 HydrophobicContact SD-CZ 4.37Å; I273-F569 HydrophobicContact CD1-CD2 4.45Å; I273-F569 HydrophobicContact CD1-CE2 3.99Å; I273-F569 HydrophobicContact CG1-CD2 4.32Å; I273-F569 HydrophobicContact CG1-CE2 3.69Å; L444-F569 HydrophobicContact CD1-CE1 4.39Å; L444-F569 HydrophobicContact CD1-CZ 3.87Å; L444-F569 HydrophobicContact CD2-CZ 4.07Å; V565-F569 WeakPolarHBondContact O-CB 3.04Å; M566-F569 WeakPolarHBondContact O-CA 3.11Å; M566-F569 WeakPolarHBondContact O-CB 3.38Å; M566-F569 PolarHBondContact O-N 2.87Å; H567-F569 VanDerWaalsContact C-N 3.3Å; H567-F569 PolarHBondContact O-N 3.27Å; F569-A571 VanDerWaalsContact C-N 3.34Å; F569-A571 PolarHBondContact O-N 3.48Å; F569-R572 PolarHBondContact O-N 2.8Å; F569-F573 PolarHBondContact O-N 3.23Å
570	Y	97.3	Very high	93.4	Very high	4 Å²	4	20.7 Å²	20.7	2%	0.016	10%	0.101	C	C	.	.	H	α-helix	trans	-64.3	-37.4	178.8	-59.3	-43.6	0	0	0	112.9	E218 W447 F523 M566 H567 F573 F574	E218-Y570 PolarHBondContact OE2-OH 2.87Å; E218-Y570 VanDerWaalsContact OE2-OH 3.12Å; W447-Y570 HydrophobicContact CB-CE1 3.96Å; W447-Y570 AromaticContact CD1-CE1 3.9Å; W447-Y570 AromaticContact CD1-CZ 3.75Å; W447-Y570 AromaticContact CD2-CD1 3.6Å; W447-Y570 HydrophobicContact CD2-CD1 3.6Å; W447-Y570 AromaticContact CD2-CE1 3.43Å; W447-Y570 HydrophobicContact CD2-CE1 3.43Å; W447-Y570 VanDerWaalsContact CD2-CE1 3.43Å; W447-Y570 HydrophobicContact CD2-CE2 4.45Å; W447-Y570 HydrophobicContact CD2-CG 4.22Å; W447-Y570 AromaticContact CD2-CZ 3.89Å; W447-Y570 AromaticContact CE2-CE1 3.84Å; W447-Y570 AromaticContact CE2-CZ 3.82Å; W447-Y570 AromaticContact CE3-CD1 3.4Å; W447-Y570 HydrophobicContact CE3-CD1 3.4Å; W447-Y570 VanDerWaalsContact CE3-CD1 3.4Å; W447-Y570 AromaticContact CE3-CE1 3.73Å; W447-Y570 HydrophobicContact CE3-CE1 3.73Å; W447-Y570 AromaticContact CE3-CG 3.99Å; W447-Y570 HydrophobicContact CE3-CG 3.99Å; W447-Y570 HydrophobicContact CG-CD1 4.18Å; W447-Y570 AromaticContact CG-CE1 3.53Å; W447-Y570 HydrophobicContact CG-CE1 3.53Å; W447-Y570 AromaticContact CG-CZ 3.89Å; W447-Y570 HydrophobicContact CH2-CD1 4.05Å; W447-Y570 HydrophobicContact CH2-CD2 4.11Å; W447-Y570 AromaticContact CH2-CG 3.75Å; W447-Y570 HydrophobicContact CH2-CG 3.75Å; W447-Y570 HydrophobicContact CZ2-CD1 4.28Å; W447-Y570 HydrophobicContact CZ2-CD2 4.01Å; W447-Y570 HydrophobicContact CZ2-CE1 4.49Å; W447-Y570 HydrophobicContact CZ2-CE2 4.2Å; W447-Y570 HydrophobicContact CZ2-CG 4.05Å; W447-Y570 AromaticContact CZ3-CD1 3.61Å; W447-Y570 HydrophobicContact CZ3-CD1 3.61Å; W447-Y570 HydrophobicContact CZ3-CD2 4.49Å; W447-Y570 HydrophobicContact CZ3-CE1 4.32Å; W447-Y570 AromaticContact CZ3-CG 3.72Å; W447-Y570 HydrophobicContact CZ3-CG 3.72Å; W447-Y570 AromaticContact NE1-CZ 3.75Å; F523-Y570 HydrophobicContact CB-CD2 3.7Å; F523-Y570 HydrophobicContact CB-CE2 4.06Å; F523-Y570 HydrophobicContact CD1-CD2 4.39Å; F523-Y570 HydrophobicContact CD2-CE2 4.24Å; F523-Y570 AromaticContact CG-CD2 4Å; F523-Y570 HydrophobicContact CG-CD2 4Å; F523-Y570 HydrophobicContact CG-CE2 4.12Å; M566-Y570 VanDerWaalsContact C-CD2 3.46Å; M566-Y570 HydrophobicContact CB-CE2 4.34Å; M566-Y570 VanDerWaalsContact O-CD2 3.23Å; M566-Y570 WeakPolarHBondContact O-CD2 3.46Å; M566-Y570 PolarHBondContact O-N 3.27Å; H567-Y570 PolarHBondContact O-N 3.01Å; Y570-F573 PolarHBondContact O-N 2.78Å; Y570-F574 PolarHBondContact O-N 2.93Å
571	A	98.2	Very high	93.9	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-61.5	-44.2	174.1	0	0	0	0	0	112.1	A527 Y530 H567 F569 F574 S575 P589 F590	A527-A571 WeakPolarHBondContact O-CA 3.47Å; Y530-A571 HydrophobicContact CE1-CB 3.79Å; Y530-A571 PolarHBondContact OH-O 2.59Å; H567-A571 VanDerWaalsContact O-CB 3.24Å; H567-A571 WeakPolarHBondContact O-CB 3.16Å; H567-A571 PolarHBondContact O-N 3.2Å; F569-A571 VanDerWaalsContact C-N 3.34Å; F569-A571 PolarHBondContact O-N 3.48Å; A571-F574 PolarHBondContact O-N 2.76Å; A571-S575 WeakPolarHBondContact O-CB 3.42Å; A571-S575 PolarHBondContact O-N 2.71Å; A571-P589 HydrophobicContact CB-CG 4.49Å; A571-F590 HydrophobicContact CB-CE2 3.8Å; A571-F590 HydrophobicContact CB-CZ 3.67Å
572	R	98.2	Very high	94.4	Very high	0 Å²	0	28 Å²	28	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-63.3	-45.5	175.4	-69.1	176.2	71.2	-133.7	-7	111.4	M252 W262 L568 F569 F574 S575 H576 E588 P589	M252-R572 PolarHBondContact O-NH1 3.42Å; M252-R572 PolarHBondContact O-NH2 3.23Å; M252-R572 HydrophobicContact SD-CB 4.24Å; W262-R572 HydrophobicContact CH2-CG 4.34Å; L568-R572 WeakPolarHBondContact O-CG 3.44Å; L568-R572 PolarHBondContact O-N 3.38Å; F569-R572 PolarHBondContact O-N 2.8Å; R572-F574 PolarHBondContact O-N 3.12Å; R572-S575 WeakPolarHBondContact O-CB 3.48Å; R572-S575 PolarHBondContact O-N 2.97Å; R572-S575 VanDerWaalsContact O-N 3.17Å; R572-H576 PolarHBondContact O-CD2 2.95Å; R572-H576 VanDerWaalsContact O-CD2 3.24Å; R572-H576 PolarHBondContact O-N 3.05Å; R572-E588 WeakPolarHBondContact CG-OE2 3.46Å; R572-E588 IonicContact CZ-OE1 3.97Å; R572-E588 IonicContact CZ-OE2 3.66Å; R572-E588 IonicContact NE-OE1 2.69Å; R572-E588 PolarHBondContact NE-OE1 3.35Å; R572-E588 IonicContact NE-OE2 3.83Å; R572-E588 PolarHBondContact NE-OE2 3.17Å; R572-E588 IonicContact NH2-OE1 2.62Å; R572-E588 PolarHBondContact NH2-OE1 3.19Å; R572-E588 IonicContact NH2-OE2 2.72Å; R572-P589 HydrophobicContact CG-CG 4.24Å
573	F	98.4	Very high	95.1	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-54.1	-51.3	175.6	167.8	-94	0	0	0	111.7	L192 I243 T245 Y248 M252 F569 Y570 S575 H576 F577	L192-F573 HydrophobicContact CD2-CE1 4.06Å; L192-F573 HydrophobicContact CD2-CZ 3.9Å; I243-F573 HydrophobicContact CG2-CD1 4.38Å; I243-F573 HydrophobicContact CG2-CE1 3.41Å; I243-F573 VanDerWaalsContact CG2-CE1 3.41Å; I243-F573 HydrophobicContact CG2-CE2 4.3Å; I243-F573 HydrophobicContact CG2-CZ 3.36Å; T245-F573 HydrophobicContact CG2-CD1 4.33Å; T245-F573 HydrophobicContact CG2-CD2 3.91Å; T245-F573 HydrophobicContact CG2-CE2 4.15Å; T245-F573 HydrophobicContact CG2-CG 4Å; T245-F573 HydrophobicContact CG2-CZ 4.49Å; Y248-F573 HydrophobicContact CD2-CD2 4.11Å; Y248-F573 AromaticContact CD2-CE2 3.62Å; Y248-F573 HydrophobicContact CD2-CE2 3.62Å; Y248-F573 HydrophobicContact CE2-CE2 4.24Å; Y248-F573 HydrophobicContact CG-CD2 4.25Å; Y248-F573 HydrophobicContact CG-CE2 4.23Å; M252-F573 HydrophobicContact CE-CB 4.34Å; M252-F573 HydrophobicContact CE-CD2 4.46Å; M252-F573 HydrophobicContact SD-CB 3.89Å; F569-F573 PolarHBondContact O-N 3.23Å; Y570-F573 PolarHBondContact O-N 2.78Å; F573-S575 VanDerWaalsContact C-N 3.3Å; F573-S575 PolarHBondContact O-N 3.13Å; F573-H576 PolarHBondContact O-N 3.37Å; F573-F577 WeakPolarHBondContact O-CB 3.46Å; F573-F577 PolarHBondContact O-N 3.25Å
574	F	98.4	Very high	95.5	Very high	2 Å²	2	24.2 Å²	24.2	1%	0.009	12%	0.116	C	C	.	.	H	α-helix	trans	-63.3	-36.1	179.6	-99.4	-94.1	0	0	0	112.5	L188 L192 I243 W447 V524 A527 W528 Y570 A571 R572 F577 C578	L188-F574 HydrophobicContact CB-CE1 3.96Å; L188-F574 HydrophobicContact CD1-CD1 4.23Å; L188-F574 HydrophobicContact CD1-CE1 3.97Å; L188-F574 HydrophobicContact CG-CE1 4.49Å; L192-F574 HydrophobicContact CD1-CE1 4.24Å; L192-F574 HydrophobicContact CD1-CZ 3.87Å; I243-F574 HydrophobicContact CD1-CE2 4.39Å; W447-F574 HydrophobicContact CH2-CE2 4.32Å; W447-F574 HydrophobicContact CZ3-CD2 4.27Å; W447-F574 AromaticContact CZ3-CE2 3.79Å; W447-F574 HydrophobicContact CZ3-CE2 3.79Å; V524-F574 HydrophobicContact CG1-CE2 4.4Å; V524-F574 HydrophobicContact CG1-CZ 4.02Å; A527-F574 HydrophobicContact CB-CB 4.28Å; A527-F574 HydrophobicContact CB-CD2 3.36Å; A527-F574 HydrophobicContact CB-CE2 3.83Å; A527-F574 HydrophobicContact CB-CG 3.92Å; A527-F574 WeakPolarHBondContact O-CB 3.33Å; W528-F574 HydrophobicContact CB-CD1 4.16Å; Y570-F574 PolarHBondContact O-N 2.93Å; A571-F574 PolarHBondContact O-N 2.76Å; R572-F574 PolarHBondContact O-N 3.12Å; F574-F577 PolarHBondContact O-N 2.95Å; F574-C578 VanDerWaalsContact O-CB 3.32Å; F574-C578 WeakPolarHBondContact O-CB 3.46Å; F574-C578 PolarHBondContact O-N 2.9Å; F574-C578 PolarHBondContact O-SG 2.84Å
575	S	98.3	Very high	96	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-66	-45	175.8	-169.6	0	0	0	0	112.2	A571 R572 F573 C578 H579 R587	A571-S575 WeakPolarHBondContact O-CB 3.42Å; A571-S575 PolarHBondContact O-N 2.71Å; R572-S575 WeakPolarHBondContact O-CB 3.48Å; R572-S575 PolarHBondContact O-N 2.97Å; R572-S575 VanDerWaalsContact O-N 3.17Å; F573-S575 VanDerWaalsContact C-N 3.3Å; F573-S575 PolarHBondContact O-N 3.13Å; S575-C578 PolarHBondContact O-N 3.48Å; S575-H579 WeakPolarHBondContact O-CB 3.13Å; S575-H579 PolarHBondContact O-N 3.48Å; S575-R587 CarbonylContact C-O 3.56Å; S575-R587 WeakPolarHBondContact CB-O 3.45Å; S575-R587 PolarHBondContact OG-O 3.47Å
576	H	98.3	Very high	96.4	Very high	3 Å²	3	32.6 Å²	32.6	1%	0.014	15%	0.151	C	C	.	.	H	α-helix	trans	-62.2	-44.5	174	-82.8	-113.1	0	0	0	111.5	Y248 R572 F573 H579 D580 R587 E588	Y248-H576 HydrophobicContact CD1-CB 3.6Å; Y248-H576 HydrophobicContact CE1-CB 3.88Å; R572-H576 PolarHBondContact O-CD2 2.95Å; R572-H576 VanDerWaalsContact O-CD2 3.24Å; R572-H576 PolarHBondContact O-N 3.05Å; F573-H576 PolarHBondContact O-N 3.37Å; H576-H579 WeakPolarHBondContact O-CB 3.5Å; H576-H579 PolarHBondContact O-N 2.94Å; H576-D580 PolarHBondContact O-N 2.9Å; H576-R587 PolarHBondContact CD2-O 3.29Å; H576-R587 PolarHBondContact N-O 3.42Å; H576-E588 IonicContact CD2-OE1 3.25Å; H576-E588 IonicContact CE1-OE1 3.91Å; H576-E588 IonicContact NE2-OE1 2.92Å; H576-E588 PolarHBondContact NE2-OE1 2.97Å
577	F	98.3	Very high	96.9	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-59.6	-48.7	175	172.2	-108.6	0	0	0	112	K191 L192 A195 L197 F573 F574 H579 D580 Q581	K191-F577 HydrophobicContact CB-CE1 4.25Å; K191-F577 HydrophobicContact CB-CZ 3.93Å; L192-F577 HydrophobicContact CD2-CD1 3.82Å; L192-F577 HydrophobicContact CD2-CD2 3.7Å; L192-F577 HydrophobicContact CD2-CE1 3.78Å; L192-F577 HydrophobicContact CD2-CE2 3.66Å; L192-F577 HydrophobicContact CD2-CG 3.78Å; L192-F577 HydrophobicContact CD2-CZ 3.7Å; L192-F577 HydrophobicContact CG-CD1 4.23Å; L192-F577 HydrophobicContact CG-CE1 3.81Å; L192-F577 HydrophobicContact CG-CE2 4.31Å; L192-F577 HydrophobicContact CG-CZ 3.85Å; A195-F577 HydrophobicContact CB-CE2 4.22Å; L197-F577 HydrophobicContact CD1-CD2 3.67Å; L197-F577 HydrophobicContact CD1-CE2 3.79Å; F573-F577 WeakPolarHBondContact O-CB 3.46Å; F573-F577 PolarHBondContact O-N 3.25Å; F574-F577 PolarHBondContact O-N 2.95Å; F577-H579 VanDerWaalsContact C-N 3.3Å; F577-H579 PolarHBondContact O-N 3.47Å; F577-D580 PolarHBondContact O-N 2.92Å; F577-Q581 HydrophobicContact CD1-CG 4.5Å; F577-Q581 HydrophobicContact CD2-CG 4.11Å; F577-Q581 HydrophobicContact CE1-CG 4.06Å; F577-Q581 HydrophobicContact CE2-CG 3.62Å; F577-Q581 HydrophobicContact CZ-CG 3.6Å; F577-Q581 WeakPolarHBondContact O-CG 3.43Å; F577-Q581 PolarHBondContact O-N 3.2Å
578	C	98.1	Very high	97.1	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	17%	0.172	C	C	.	.	H	α-helix	trans	-63.3	-36.7	178.8	-70.1	0	0	0	0	112.1	F531 F574 S575 Q581 K582 M583 V584	F531-C578 HydrophobicContact CE2-CB 4.28Å; F574-C578 VanDerWaalsContact O-CB 3.32Å; F574-C578 WeakPolarHBondContact O-CB 3.46Å; F574-C578 PolarHBondContact O-N 2.9Å; F574-C578 PolarHBondContact O-SG 2.84Å; S575-C578 PolarHBondContact O-N 3.48Å; C578-Q581 CarbonylContact O-C 3.55Å; C578-Q581 PolarHBondContact O-N 2.79Å; C578-K582 PolarHBondContact O-N 3.32Å; C578-M583 HydrophobicContact CB-CB 4.22Å; C578-M583 WeakPolarHBondContact O-CB 3.03Å; C578-M583 PolarHBondContact O-N 2.98Å; C578-V584 HydrophobicContact CB-CG2 3.95Å
579	H	97.8	Very high	97.1	Very high	41 Å²	41	38.5 Å²	38.5	19%	0.19	17%	0.172	C	C	.	.	H	α-helix	trans	-61.1	-47.2	172.9	166.7	-81.3	0	0	0	111.6	S575 H576 F577 Q581 K582 V584 K585 R587	S575-H579 WeakPolarHBondContact O-CB 3.13Å; S575-H579 PolarHBondContact O-N 3.48Å; H576-H579 WeakPolarHBondContact O-CB 3.5Å; H576-H579 PolarHBondContact O-N 2.94Å; F577-H579 VanDerWaalsContact C-N 3.3Å; F577-H579 PolarHBondContact O-N 3.47Å; H579-Q581 VanDerWaalsContact C-N 3.28Å; H579-Q581 PolarHBondContact O-N 3.48Å; H579-K582 WeakPolarHBondContact O-CA 3.05Å; H579-K582 PolarHBondContact O-N 2.88Å; H579-V584 HydrophobicContact CB-CG2 4.38Å; H579-K585 PolarHBondContact CD2-O 3.42Å; H579-K585 VanDerWaalsContact CD2-O 3.31Å; H579-R587 HydrophobicContact CB-CG 4.18Å; H579-R587 VanDerWaalsContact CD2-CG 3.4Å; H579-R587 WeakPolarHBondContact CD2-CG 3.39Å; H579-R587 PolarHBondContact CE1-NE 3.26Å; H579-R587 VanDerWaalsContact CG-CG 3.47Å; H579-R587 PolarHBondContact NE2-NE 3.2Å
580	D	96.8	Very high	97.2	Very high	80 Å²	80	38.4 Å²	38.4	43%	0.428	17%	0.172	S	C	.	.	H	α-helix	trans	-69.3	-28.7	-179.2	-75.1	5.8	0	0	0	112.3	Y248 H576 F577 K582	Y248-D580 HydrophobicContact CE1-CB 4.49Å; Y248-D580 VanDerWaalsContact CE1-OD2 3.26Å; Y248-D580 WeakPolarHBondContact CE1-OD2 3.5Å; Y248-D580 PolarHBondContact OH-OD2 3.25Å; H576-D580 PolarHBondContact O-N 2.9Å; F577-D580 PolarHBondContact O-N 2.92Å; D580-K582 PolarHBondContact O-N 2.77Å
581	Q	96.3	Very high	97.2	Very high	87 Å²	87	42.4 Å²	42.4	41%	0.407	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77	3.3	167.8	-62.4	-52.5	-62	0	0	113.7	F577 C578 H579 M583	F577-Q581 HydrophobicContact CD1-CG 4.5Å; F577-Q581 HydrophobicContact CD2-CG 4.11Å; F577-Q581 HydrophobicContact CE1-CG 4.06Å; F577-Q581 HydrophobicContact CE2-CG 3.62Å; F577-Q581 HydrophobicContact CZ-CG 3.6Å; F577-Q581 WeakPolarHBondContact O-CG 3.43Å; F577-Q581 PolarHBondContact O-N 3.2Å; C578-Q581 CarbonylContact O-C 3.55Å; C578-Q581 PolarHBondContact O-N 2.79Å; H579-Q581 VanDerWaalsContact C-N 3.28Å; H579-Q581 PolarHBondContact O-N 3.48Å; Q581-M583 HydrophobicContact CB-CG 3.98Å; Q581-M583 HydrophobicContact CB-SD 4.15Å; Q581-M583 PolarHBondContact O-N 2.79Å
582	K	96.4	Very high	97.1	Very high	184 Å²	184	43.9 Å²	43.9	80%	0.8	20%	0.196	S	C	*	.	T	Hydrogen-bonded Turn	trans	58.2	27.7	-178.5	-53.1	176.8	-178.4	175.6	0	113.8	C578 H579 D580	C578-K582 PolarHBondContact O-N 3.32Å; H579-K582 WeakPolarHBondContact O-CA 3.05Å; H579-K582 PolarHBondContact O-N 2.88Å; D580-K582 PolarHBondContact O-N 2.77Å
583	M	96.2	Very high	96.9	Very high	25 Å²	25	44.5 Å²	44.5	12%	0.123	20%	0.2	C	C	.	.	S	Bend	trans	-81.8	-26	177.2	-62.2	177.5	65.3	0	0	112.1	Y187 L188 P542 F543 T545 C578 Q581	Y187-M583 HydrophobicContact CE1-CE 4.33Å; L188-M583 HydrophobicContact CD2-CE 3.99Å; L188-M583 HydrophobicContact CD2-SD 4.28Å; P542-M583 HydrophobicContact CG-CE 4.12Å; F543-M583 HydrophobicContact CE1-CE 4.32Å; F543-M583 HydrophobicContact CE2-CB 4.24Å; F543-M583 HydrophobicContact CZ-CB 4.2Å; F543-M583 HydrophobicContact CZ-CE 3.94Å; T545-M583 WeakPolarHBondContact CB-O 3.47Å; T545-M583 VanDerWaalsContact CG2-O 3.23Å; T545-M583 WeakPolarHBondContact CG2-O 3.49Å; T545-M583 PolarHBondContact OG1-O 3.22Å; C578-M583 HydrophobicContact CB-CB 4.22Å; C578-M583 WeakPolarHBondContact O-CB 3.03Å; C578-M583 PolarHBondContact O-N 2.98Å; Q581-M583 HydrophobicContact CB-CG 3.98Å; Q581-M583 HydrophobicContact CB-SD 4.15Å; Q581-M583 PolarHBondContact O-N 2.79Å
584	V	96	Very high	96.7	Very high	7 Å²	7	44.7 Å²	44.7	4%	0.042	20%	0.201	C	C	.	.			trans	-144.6	153.6	178.1	-65.5	0	0	0	0	110.9	F531 F543 A548 D549 C578 H579	F531-V584 HydrophobicContact CD1-CG1 3.98Å; F531-V584 HydrophobicContact CE1-CB 4.19Å; F531-V584 HydrophobicContact CE1-CG1 3.58Å; F531-V584 HydrophobicContact CE1-CG2 4.09Å; F531-V584 HydrophobicContact CZ-CB 4.43Å; F531-V584 HydrophobicContact CZ-CG1 4.03Å; F531-V584 HydrophobicContact CZ-CG2 3.83Å; F543-V584 HydrophobicContact CD2-CG1 4.4Å; F543-V584 HydrophobicContact CE2-CG1 3.44Å; F543-V584 VanDerWaalsContact CE2-CG1 3.44Å; F543-V584 HydrophobicContact CZ-CG1 3.86Å; A548-V584 HydrophobicContact CB-CG1 4.11Å; D549-V584 WeakPolarHBondContact OD1-CA 3.35Å; C578-V584 HydrophobicContact CB-CG2 3.95Å; H579-V584 HydrophobicContact CB-CG2 4.38Å
585	K	96.3	Very high	96.4	Very high	150 Å²	150	45.6 Å²	45.6	65%	0.652	21%	0.208	S	C	*	.	S	Bend	trans	-79.2	-29.4	178.3	-177.4	-179.5	176.4	-174.7	0	113.7	D549 H579	D549-K585 WeakPolarHBondContact OD1-CB 3.28Å; D549-K585 PolarHBondContact OD1-N 3.37Å; H579-K585 PolarHBondContact CD2-O 3.42Å; H579-K585 VanDerWaalsContact CD2-O 3.31Å
586	H	94.6	Very high	95.9	Very high	62 Å²	62	46.5 Å²	46.5	29%	0.287	21%	0.213	S	C	.	.			trans	-94.4	130.7	-172.3	-63.6	-81	0	0	0	111.3	M552	M552-H586 PolarHBondContact O-CD2 3.05Å; M552-H586 PolarHBondContact O-NE2 3.29Å
587	R	95.3	Very high	95.4	Very high	136 Å²	136	46.6 Å²	46.6	51%	0.513	21%	0.214	S	C	.	.	S	Bend	trans	-75.1	-44.4	177.3	-69.2	-177.8	-178	-154.5	-1.6	112.7	S575 H576 H579	S575-R587 CarbonylContact C-O 3.56Å; S575-R587 WeakPolarHBondContact CB-O 3.45Å; S575-R587 PolarHBondContact OG-O 3.47Å; H576-R587 PolarHBondContact CD2-O 3.29Å; H576-R587 PolarHBondContact N-O 3.42Å; H579-R587 HydrophobicContact CB-CG 4.18Å; H579-R587 VanDerWaalsContact CD2-CG 3.4Å; H579-R587 WeakPolarHBondContact CD2-CG 3.39Å; H579-R587 PolarHBondContact CE1-NE 3.26Å; H579-R587 VanDerWaalsContact CG-CG 3.47Å; H579-R587 PolarHBondContact NE2-NE 3.2Å
588	E	97.4	Very high	95	Very high	26 Å²	26	48.3 Å²	48.3	12%	0.121	22%	0.223	C	C	.	.			trans	-95	134.2	-178.7	-70.4	-65.4	155.7	0	0	111.1	A255 L259 R572 H576	A255-E588 HydrophobicContact CB-CG 4.38Å; A255-E588 WeakPolarHBondContact CB-OE1 3.49Å; L259-E588 HydrophobicContact CD2-CB 3.82Å; L259-E588 HydrophobicContact CD2-CG 3.67Å; L259-E588 HydrophobicContact CG-CG 4.35Å; R572-E588 WeakPolarHBondContact CG-OE2 3.46Å; R572-E588 IonicContact CZ-OE1 3.97Å; R572-E588 IonicContact CZ-OE2 3.66Å; R572-E588 IonicContact NE-OE1 2.69Å; R572-E588 PolarHBondContact NE-OE1 3.35Å; R572-E588 IonicContact NE-OE2 3.83Å; R572-E588 PolarHBondContact NE-OE2 3.17Å; R572-E588 IonicContact NH2-OE1 2.62Å; R572-E588 PolarHBondContact NH2-OE1 3.19Å; R572-E588 IonicContact NH2-OE2 2.72Å; H576-E588 IonicContact CD2-OE1 3.25Å; H576-E588 IonicContact CE1-OE1 3.91Å; H576-E588 IonicContact NE2-OE1 2.92Å; H576-E588 PolarHBondContact NE2-OE1 2.97Å
589	P	97.6	Very high	94.6	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	22%	0.224	C	C	.	.	S	Bend	trans	-81.1	-27.2	-173.5	30.5	-33.5	0	0	0	113.3	Y530 M552 V554 A571 R572	Y530-P589 HydrophobicContact CD2-CB 4.03Å; Y530-P589 HydrophobicContact CE1-CB 4.15Å; Y530-P589 HydrophobicContact CE2-CB 3.38Å; Y530-P589 VanDerWaalsContact CZ-CB 3.48Å; M552-P589 HydrophobicContact CE-CB 4.23Å; M552-P589 VanDerWaalsContact CE-O 3.29Å; M552-P589 WeakPolarHBondContact CE-O 3.33Å; V554-P589 WeakPolarHBondContact CB-O 3.49Å; V554-P589 PolarHBondContact N-O 3.43Å; A571-P589 HydrophobicContact CB-CG 4.49Å; R572-P589 HydrophobicContact CG-CG 4.24Å
590	F	97.8	Very high	94.2	Very high	0 Å²	0	49.1 Å²	49.1	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	122.6	-176.1	-32.2	-61.7	0	0	0	110.5	W262 Y530 V554 Y557 L568 A571	W262-F590 AromaticContact CH2-CD2 3.84Å; W262-F590 HydrophobicContact CH2-CD2 3.84Å; W262-F590 HydrophobicContact CZ2-CB 3.85Å; W262-F590 AromaticContact CZ2-CD2 3.86Å; W262-F590 HydrophobicContact CZ2-CD2 3.86Å; W262-F590 HydrophobicContact CZ2-CG 4.36Å; W262-F590 WeakPolarHBondContact CZ2-O 3.41Å; Y530-F590 AromaticContact CD1-CE1 3.78Å; Y530-F590 HydrophobicContact CD1-CE1 3.78Å; Y530-F590 AromaticContact CD1-CZ 3.93Å; Y530-F590 HydrophobicContact CD1-CZ 3.93Å; Y530-F590 HydrophobicContact CE1-CE1 4.24Å; Y530-F590 HydrophobicContact CE1-CZ 4.06Å; Y530-F590 AromaticContact CG-CE1 3.98Å; Y530-F590 HydrophobicContact CG-CE1 3.98Å; V554-F590 HydrophobicContact CB-CD1 3.93Å; V554-F590 HydrophobicContact CG2-CD1 3.89Å; V554-F590 HydrophobicContact CG2-CE1 4.32Å; Y557-F590 HydrophobicContact CD1-CD1 4.33Å; Y557-F590 HydrophobicContact CD1-CD2 4.14Å; Y557-F590 HydrophobicContact CD1-CE1 4.4Å; Y557-F590 HydrophobicContact CD1-CE2 4.22Å; Y557-F590 HydrophobicContact CD1-CG 4.22Å; Y557-F590 HydrophobicContact CD1-CZ 4.35Å; Y557-F590 AromaticContact CD2-CD1 3.79Å; Y557-F590 HydrophobicContact CD2-CD1 3.79Å; Y557-F590 AromaticContact CD2-CE1 3.79Å; Y557-F590 HydrophobicContact CD2-CE1 3.79Å; Y557-F590 HydrophobicContact CD2-CG 4.41Å; Y557-F590 HydrophobicContact CD2-CZ 4.41Å; Y557-F590 HydrophobicContact CE1-CE1 4.48Å; Y557-F590 HydrophobicContact CE1-CE2 4.25Å; Y557-F590 HydrophobicContact CE1-CZ 4.17Å; Y557-F590 HydrophobicContact CE2-CD1 4.38Å; Y557-F590 AromaticContact CE2-CE1 3.9Å; Y557-F590 HydrophobicContact CE2-CE1 3.9Å; Y557-F590 HydrophobicContact CE2-CZ 4.25Å; Y557-F590 HydrophobicContact CG-CB 4.47Å; Y557-F590 AromaticContact CG-CD1 3.77Å; Y557-F590 HydrophobicContact CG-CD1 3.77Å; Y557-F590 HydrophobicContact CG-CD2 4.32Å; Y557-F590 HydrophobicContact CG-CE1 4.05Å; Y557-F590 AromaticContact CG-CG 3.92Å; Y557-F590 HydrophobicContact CG-CG 3.92Å; Y557-F590 HydrophobicContact CG-CZ 4.46Å; L568-F590 HydrophobicContact CD2-CD2 3.89Å; L568-F590 HydrophobicContact CD2-CE2 3.55Å; L568-F590 HydrophobicContact CD2-CZ 4.49Å; A571-F590 HydrophobicContact CB-CE2 3.8Å; A571-F590 HydrophobicContact CB-CZ 3.67Å
591	H	96.5	Very high	93.9	Very high	87 Å²	87	45.4 Å²	45.4	40%	0.403	21%	0.207	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	-61.3	178.4	-176.5	61.9	0	0	0	111	P260 W262 P553 V554	P260-H591 WeakPolarHBondContact CD-O 3.37Å; P260-H591 WeakPolarHBondContact CG-O 3.29Å; W262-H591 PolarHBondContact NE1-O 2.9Å; P553-H591 HydrophobicContact CG-CB 4.11Å; V554-H591 WeakPolarHBondContact O-CB 3.47Å; V554-H591 PolarHBondContact O-N 3.16Å
592	K	95.4	Very high	93.5	Very high	31 Å²	31	45 Å²	45	14%	0.135	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	150.5	172.3	-64.3	-179.7	170.9	-141.5	0	111.3	P260 E261 D555 L556 Y557 T744 F747	P260-K592 HydrophobicContact CG-CG 4.48Å; E261-K592 IonicContact OE1-NZ 3.3Å; E261-K592 PolarHBondContact OE1-NZ 3.49Å; E261-K592 WeakPolarHBondContact OE2-CD 3.33Å; E261-K592 WeakPolarHBondContact OE2-CE 3.47Å; E261-K592 WeakPolarHBondContact OE2-CG 3.23Å; E261-K592 IonicContact OE2-NZ 3.86Å; E261-K592 PolarHBondContact OE2-NZ 3.28Å; D555-K592 WeakPolarHBondContact O-CB 3.43Å; D555-K592 PolarHBondContact O-N 3.1Å; L556-K592 HydrophobicContact CD1-CB 3.96Å; Y557-K592 PolarHBondContact N-O 3.35Å; K592-T744 PolarHBondContact NZ-O 3.05Å; K592-F747 HydrophobicContact CD-CE2 4.09Å; K592-F747 HydrophobicContact CD-CZ 4.14Å
593	L	94.7	Very high	93.2	Very high	13 Å²	13	36.3 Å²	36.3	7%	0.068	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	120.4	177.4	178.2	68.1	0	0	0	110.2	W262 I265 Y557 L568	W262-L593 HydrophobicContact CD2-CB 3.89Å; W262-L593 HydrophobicContact CD2-CD2 3.8Å; W262-L593 HydrophobicContact CE3-CD2 3.75Å; W262-L593 HydrophobicContact CG-CB 3.9Å; W262-L593 HydrophobicContact CG-CD2 4.26Å; W262-L593 HydrophobicContact CZ3-CD2 4.19Å; I265-L593 HydrophobicContact CB-CD2 4.09Å; I265-L593 HydrophobicContact CG1-CD2 3.72Å; I265-L593 HydrophobicContact CG2-CD2 4Å; Y557-L593 HydrophobicContact CD1-CD1 3.64Å; Y557-L593 HydrophobicContact CG-CD1 4.38Å; Y557-L593 CarbonylContact O-C 3.54Å; Y557-L593 WeakPolarHBondContact O-CA 3.07Å; L568-L593 HydrophobicContact CD1-CD1 4.2Å; L568-L593 HydrophobicContact CD1-CD2 3.6Å; L568-L593 HydrophobicContact CD2-CD1 4.3Å
594	L	93.8	Very high	93	Very high	5 Å²	5	36.1 Å²	36.1	3%	0.026	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	97.4	169.8	-174.9	62.6	0	0	0	109.4	I107 L556 Y557 I558 G559 Q596 P672 E673 F747	I107-L594 HydrophobicContact CG2-CD2 3.77Å; L556-L594 HydrophobicContact CD1-CB 4.05Å; Y557-L594 PolarHBondContact O-N 3.35Å; I558-L594 HydrophobicContact CG1-CB 4.25Å; I558-L594 HydrophobicContact CG1-CD2 4.42Å; I558-L594 HydrophobicContact CG2-CD2 4.39Å; G559-L594 PolarHBondContact N-O 3.39Å; G559-L594 VanDerWaalsContact N-O 3.14Å; L594-Q596 PolarHBondContact O-N 2.94Å; L594-P672 HydrophobicContact CD1-CB 4.01Å; L594-P672 HydrophobicContact CD2-CB 4Å; L594-P672 HydrophobicContact CD2-CG 4.42Å; L594-P672 HydrophobicContact CG-CB 4.24Å; L594-E673 HydrophobicContact CD1-CG 4.34Å; L594-F747 HydrophobicContact CD1-CB 4.23Å; L594-F747 HydrophobicContact CD1-CD2 4.44Å; L594-F747 HydrophobicContact CD2-CB 4.02Å; L594-F747 HydrophobicContact CD2-CG 4.42Å
595	A	92	Very high	92.8	Very high	20 Å²	20	38.5 Å²	38.5	17%	0.165	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	96	175.8	0	0	0	0	0	110	I265 G559 K561 E673	I265-A595 HydrophobicContact CG1-CB 4.49Å; G559-A595 CarbonylContact O-C 3.47Å; G559-A595 WeakPolarHBondContact O-CA 3.41Å; K561-A595 HydrophobicContact CB-CB 4.41Å; A595-E673 WeakPolarHBondContact O-CA 3.4Å
596	Q	89.3	Confident	92.4	Very high	20 Å²	20	32.2 Å²	32.2	9%	0.093	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.4	149	-175.6	75	-148.2	-10.8	0	0	112.7	V104 G559 L594 P672	V104-Q596 VanDerWaalsContact CG1-OE1 3.26Å; V104-Q596 VanDerWaalsContact CG2-CD 3.45Å; V104-Q596 VanDerWaalsContact CG2-OE1 3.26Å; G559-Q596 WeakPolarHBondContact O-CG 3.26Å; G559-Q596 PolarHBondContact O-N 3.47Å; L594-Q596 PolarHBondContact O-N 2.94Å; Q596-P672 CarbonylContact C-O 3.52Å; Q596-P672 VanDerWaalsContact CA-O 3.25Å; Q596-P672 WeakPolarHBondContact CA-O 3.48Å
597	G	87.8	Confident	91.8	Very high	4 Å²	4	33.1 Å²	33.1	4%	0.041	16%	0.159	C	C	.	.	P	Polyproline II helix	trans	-73.3	159.7	167.4	0	0	0	0	0	111.9	R103 P672 E673	R103-G597 PolarHBondContact NH1-O 3.45Å; G597-P672 PolarHBondContact N-O 3.09Å; G597-E673 VanDerWaalsContact CA-O 3.29Å; G597-E673 WeakPolarHBondContact CA-O 3.34Å; G597-E673 PolarHBondContact N-O 3.09Å
598	L	89.3	Confident	91.2	Very high	36 Å²	36	31 Å²	31	19%	0.188	17%	0.165	C	C	.	.	P	Polyproline II helix	trans	-81.7	150.9	-177.6	-59.2	174.6	0	0	0	111.3	K600 K639 D675 I676	L598-K600 HydrophobicContact CB-CG 4.45Å; L598-K639 HydrophobicContact CD1-CB 4.13Å; L598-K639 HydrophobicContact CD1-CD 4.16Å; L598-K639 HydrophobicContact CD1-CG 4.24Å; L598-K639 HydrophobicContact CD2-CD 4.04Å; L598-K639 HydrophobicContact CD2-CG 4.31Å; L598-D675 PolarHBondContact N-OD1 3.49Å; L598-D675 CarbonylContact O-C 3.57Å; L598-D675 WeakPolarHBondContact O-CA 3.37Å; L598-I676 PolarHBondContact O-N 2.89Å
599	I	89	Confident	90.3	Very high	5 Å²	5	31.6 Å²	31.6	3%	0.026	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	120.3	160	-59.5	-97.5	0	0	0	106.4	M99 R103 M640 I676 W678	M99-I599 HydrophobicContact CB-CG2 4.05Å; R103-I599 HydrophobicContact CB-CD1 4.39Å; R103-I599 HydrophobicContact CB-CG1 4.13Å; I599-M640 HydrophobicContact CG2-CE 3.67Å; I599-M640 HydrophobicContact CG2-CG 4.28Å; I599-M640 HydrophobicContact CG2-SD 3.64Å; I599-M640 PolarHBondContact O-N 3.23Å; I599-M640 VanDerWaalsContact O-N 3.16Å; I599-I676 HydrophobicContact CD1-CB 3.86Å; I599-I676 HydrophobicContact CD1-CD1 3.83Å; I599-I676 HydrophobicContact CD1-CG1 4.42Å; I599-I676 HydrophobicContact CD1-CG2 4Å; I599-W678 HydrophobicContact CG2-CB 4.27Å; I599-W678 HydrophobicContact CG2-CE3 4.36Å
600	K	90.6	Very high	89.6	Confident	53 Å²	53	36.7 Å²	36.7	23%	0.23	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	130.5	-179.6	-69.3	177.1	165.1	169	0	110.1	L598 W637 E638 D675 I676 L677 W678	L598-K600 HydrophobicContact CB-CG 4.45Å; K600-W637 HydrophobicContact CB-CB 4.38Å; K600-W637 HydrophobicContact CB-CE3 4.47Å; K600-E638 CarbonylContact C-O 3.53Å; K600-E638 WeakPolarHBondContact CA-O 3.44Å; K600-E638 WeakPolarHBondContact CB-O 3.41Å; K600-D675 HydrophobicContact CD-CB 4.23Å; K600-D675 WeakPolarHBondContact CE-OD2 3.46Å; K600-D675 IonicContact NZ-OD2 2.77Å; K600-D675 PolarHBondContact NZ-OD2 3.36Å; K600-I676 PolarHBondContact N-O 3.43Å; K600-L677 HydrophobicContact CB-CD2 3.88Å; K600-L677 HydrophobicContact CD-CD2 3.9Å; K600-L677 HydrophobicContact CG-CD2 4.46Å; K600-W678 PolarHBondContact O-N 3.1Å
601	G	88.9	Confident	89	Confident	2 Å²	2	40 Å²	40	2%	0.021	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	149.3	173.2	0	0	0	0	0	110.8	T603 E638	G601-T603 PolarHBondContact O-N 2.9Å; G601-T603 PolarHBondContact O-OG1 3.16Å; G601-E638 PolarHBondContact N-O 3.45Å; G601-E638 PolarHBondContact O-N 3.48Å; G601-E638 VanDerWaalsContact O-N 3.12Å
602	Q	89.3	Confident	88.5	Confident	80 Å²	80	36 Å²	36	37%	0.374	20%	0.196	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.1	127.4	169.9	-166.2	175.3	32	0	0	108.7	F604 V635 W637 N646	Q602-F604 HydrophobicContact CG-CE1 4.27Å; Q602-F604 HydrophobicContact CG-CE2 4.12Å; Q602-F604 HydrophobicContact CG-CZ 3.73Å; Q602-V635 HydrophobicContact CG-CG1 3.73Å; Q602-W637 HydrophobicContact CB-CE3 4.36Å; Q602-W637 HydrophobicContact CB-CH2 3.93Å; Q602-W637 HydrophobicContact CB-CZ2 4.14Å; Q602-W637 HydrophobicContact CB-CZ3 4.05Å; Q602-W637 HydrophobicContact CG-CZ2 4.4Å; Q602-N646 WeakPolarHBondContact O-CB 3.33Å
603	T	90.3	Very high	88.2	Confident	1 Å²	1	38.8 Å²	38.8	1%	0.006	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	134.9	-170.4	-51	0	0	0	0	108.9	G601 Y611 V635 T636 K644 N646	G601-T603 PolarHBondContact O-N 2.9Å; G601-T603 PolarHBondContact O-OG1 3.16Å; T603-Y611 HydrophobicContact CG2-CD1 3.57Å; T603-Y611 HydrophobicContact CG2-CE1 3.68Å; T603-V635 WeakPolarHBondContact O-CA 3.23Å; T603-T636 PolarHBondContact N-O 3.13Å; T603-T636 PolarHBondContact O-N 3.36Å; T603-K644 HydrophobicContact CG2-CB 4.2Å; T603-N646 WeakPolarHBondContact OG1-CB 3.47Å; T603-N646 PolarHBondContact OG1-ND2 2.92Å
604	F	91.4	Very high	87.6	Confident	21 Å²	21	40.6 Å²	40.6	9%	0.092	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	128.8	-175.5	-58.7	-81.9	0	0	0	109.8	Q602 L612 V617 L619 P624 L633 E634 V635	Q602-F604 HydrophobicContact CG-CE1 4.27Å; Q602-F604 HydrophobicContact CG-CE2 4.12Å; Q602-F604 HydrophobicContact CG-CZ 3.73Å; F604-L612 HydrophobicContact CB-CB 4.34Å; F604-L612 PolarHBondContact O-N 3.36Å; F604-V617 HydrophobicContact CB-CG2 3.72Å; F604-V617 HydrophobicContact CD1-CG1 3.83Å; F604-V617 HydrophobicContact CD1-CG2 4.3Å; F604-V617 HydrophobicContact CD2-CG1 4.34Å; F604-V617 HydrophobicContact CD2-CG2 3.9Å; F604-V617 HydrophobicContact CE1-CG1 3.93Å; F604-V617 HydrophobicContact CE2-CG1 4.43Å; F604-V617 HydrophobicContact CG-CB 4.49Å; F604-V617 HydrophobicContact CG-CG1 4.05Å; F604-V617 HydrophobicContact CG-CG2 3.71Å; F604-V617 HydrophobicContact CZ-CG1 4.23Å; F604-L619 HydrophobicContact CE1-CD2 3.83Å; F604-L619 HydrophobicContact CZ-CD1 4.49Å; F604-L619 HydrophobicContact CZ-CD2 3.87Å; F604-P624 HydrophobicContact CD1-CB 4.13Å; F604-P624 HydrophobicContact CE1-CB 3.91Å; F604-P624 HydrophobicContact CE1-CG 4.04Å; F604-L633 HydrophobicContact CB-CD1 4.21Å; F604-L633 HydrophobicContact CD1-CD1 4.29Å; F604-E634 WeakPolarHBondContact CA-O 3.35Å; F604-V635 HydrophobicContact CD1-CG1 4.29Å; F604-V635 HydrophobicContact CD1-CG2 3.97Å; F604-V635 HydrophobicContact CE1-CG1 3.93Å; F604-V635 HydrophobicContact CE1-CG2 4.04Å
605	R	91.4	Very high	87.3	Confident	56 Å²	56	47.7 Å²	47.7	21%	0.211	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	148.4	177.6	-58.8	-176.6	-56.8	-161.6	8.5	112	Q610 Y611 L633 E634 E638	R605-Q610 CarbonylContact C-O 3.14Å; R605-Q610 WeakPolarHBondContact CA-O 3.38Å; R605-Y611 VanDerWaalsContact CD-CE1 3.44Å; R605-Y611 HydrophobicContact CG-CD1 3.59Å; R605-Y611 HydrophobicContact CG-CE1 3.74Å; R605-Y611 HydrophobicContact CG-CG 4.3Å; R605-L633 WeakPolarHBondContact O-CA 3.2Å; R605-E634 HydrophobicContact CB-CB 4.39Å; R605-E634 IonicContact CZ-OE2 2.89Å; R605-E634 PolarHBondContact N-O 3.18Å; R605-E634 IonicContact NE-OE2 2.68Å; R605-E634 IonicContact NH2-OE2 3.48Å; R605-E634 PolarHBondContact NH2-OE2 3.06Å; R605-E634 PolarHBondContact O-N 2.88Å; R605-E638 IonicContact CZ-OE1 2.92Å; R605-E638 IonicContact NH1-OE1 3.59Å; R605-E638 PolarHBondContact NH1-OE1 2.74Å
606	L	86.9	Confident	87.1	Confident	18 Å²	18	49.9 Å²	49.9	9%	0.094	27%	0.272	C	S	.	.			trans	-72.5	156.5	161.7	-69.1	172.5	0	0	0	109.9	S608 G609 Q610 L612 H626 E631 L633	L606-S608 WeakPolarHBondContact CB-OG 3.46Å; L606-S608 PolarHBondContact O-N 3.39Å; L606-G609 PolarHBondContact O-N 2.97Å; L606-Q610 HydrophobicContact CD1-CB 4.38Å; L606-Q610 PolarHBondContact N-O 3.3Å; L606-L612 HydrophobicContact CD1-CD2 4.21Å; L606-L612 HydrophobicContact CD2-CD1 4.29Å; L606-L612 HydrophobicContact CG-CD1 4.16Å; L606-L612 HydrophobicContact CG-CD2 4.16Å; L606-L612 HydrophobicContact CG-CG 4.39Å; L606-H626 HydrophobicContact CD2-CB 4.28Å; L606-E631 HydrophobicContact CD2-CB 4.46Å; L606-E631 HydrophobicContact CD2-CG 4.42Å; L606-L633 HydrophobicContact CD2-CD2 3.72Å; L606-L633 HydrophobicContact CG-CD2 4.49Å
607	P	83.9	Confident	87.2	Confident	81 Å²	81	49.7 Å²	49.7	53%	0.526	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.4	-20.7	171.5	-26	35.2	0	0	0	114.1	G609 E631	P607-G609 PolarHBondContact O-N 3.44Å; P607-E631 WeakPolarHBondContact CD-OE1 3.5Å
608	S	80.9	Confident	87.3	Confident	92 Å²	92	51 Å²	51	64%	0.643	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.9	-11.3	172	62.2	0	0	0	0	114.3	L606	L606-S608 WeakPolarHBondContact CB-OG 3.46Å; L606-S608 PolarHBondContact O-N 3.39Å
609	G	79.4	Confident	87.2	Confident	39 Å²	39	54.1 Å²	54.1	40%	0.402	29%	0.294	S	S	.	.	S	Bend	trans	91.7	-3.5	-175.3	0	0	0	0	0	114.8	L606 P607	L606-G609 PolarHBondContact O-N 2.97Å; P607-G609 PolarHBondContact O-N 3.44Å
610	Q	82	Confident	87.2	Confident	107 Å²	107	60.1 Å²	60.1	50%	0.5	33%	0.332	S	S	.	.			trans	-69.5	129.7	178.1	179.5	-178.8	-13.3	0	0	111.7	R605 L606	R605-Q610 CarbonylContact C-O 3.14Å; R605-Q610 WeakPolarHBondContact CA-O 3.38Å; L606-Q610 HydrophobicContact CD1-CB 4.38Å; L606-Q610 PolarHBondContact N-O 3.3Å
611	Y	87.2	Confident	86.8	Confident	69 Å²	69	60 Å²	60	27%	0.271	35%	0.345	S	S	.	.	B	Isolated β-bridge	trans	-76.4	143.6	172.4	-63.9	-81.6	0	0	0	111.8	T603 R605 K644	T603-Y611 HydrophobicContact CG2-CD1 3.57Å; T603-Y611 HydrophobicContact CG2-CE1 3.68Å; R605-Y611 VanDerWaalsContact CD-CE1 3.44Å; R605-Y611 HydrophobicContact CG-CD1 3.59Å; R605-Y611 HydrophobicContact CG-CE1 3.74Å; R605-Y611 HydrophobicContact CG-CG 4.3Å; Y611-K644 HydrophobicContact CD1-CB 4.02Å; Y611-K644 HydrophobicContact CD1-CG 4.04Å; Y611-K644 HydrophobicContact CE1-CB 4.14Å; Y611-K644 HydrophobicContact CE1-CD 4.14Å; Y611-K644 HydrophobicContact CE1-CG 3.71Å; Y611-K644 HydrophobicContact CE2-CG 4.37Å; Y611-K644 HydrophobicContact CG-CG 4.5Å
612	L	86	Confident	86.5	Confident	2 Å²	2	66 Å²	66	1%	0.01	39%	0.387	C	S	.	.			trans	-114.9	147.5	-176.8	-62.5	178.2	0	0	0	112.5	F604 L606 E616 V617 L633 H645	F604-L612 HydrophobicContact CB-CB 4.34Å; F604-L612 PolarHBondContact O-N 3.36Å; L606-L612 HydrophobicContact CD1-CD2 4.21Å; L606-L612 HydrophobicContact CD2-CD1 4.29Å; L606-L612 HydrophobicContact CG-CD1 4.16Å; L606-L612 HydrophobicContact CG-CD2 4.16Å; L606-L612 HydrophobicContact CG-CG 4.39Å; L612-E616 HydrophobicContact CB-CB 4.28Å; L612-E616 HydrophobicContact CD2-CB 4.37Å; L612-V617 HydrophobicContact CB-CG2 4.08Å; L612-V617 HydrophobicContact CD1-CG2 4.35Å; L612-L633 HydrophobicContact CD1-CD1 3.81Å; L612-L633 HydrophobicContact CD1-CD2 3.36Å; L612-L633 HydrophobicContact CD1-CG 4.21Å; L612-H645 WeakPolarHBondContact O-CB 3.34Å
613	Q	87.4	Confident	86.5	Confident	90 Å²	90	65.6 Å²	65.6	42%	0.421	39%	0.39	S	S	.	.			trans	-79.5	160.2	169.7	-59	-176.2	17.8	0	0	111.1	E615 E616 H645	Q613-E615 WeakPolarHBondContact CB-OE2 3.49Å; Q613-E615 PolarHBondContact O-N 2.85Å; Q613-E616 HydrophobicContact CB-CG 4.36Å; Q613-E616 PolarHBondContact N-OE2 2.85Å; Q613-E616 WeakPolarHBondContact O-CB 3.26Å; Q613-E616 PolarHBondContact O-N 2.95Å; Q613-H645 HydrophobicContact CG-CB 4.16Å
614	G	82.9	Confident	86.5	Confident	52 Å²	52	66.7 Å²	66.7	54%	0.536	40%	0.397	S	S	.	.	G	3₁₀ helix	trans	-58.5	-34.4	-176.3	0	0	0	0	0	113.6	E616 V617	G614-E616 PolarHBondContact O-N 3.19Å; G614-V617 PolarHBondContact O-N 2.89Å
615	E	87.5	Confident	86.6	Confident	154 Å²	154	67 Å²	67	72%	0.72	40%	0.401	S	S	*	.	G	3₁₀ helix	trans	-71.7	-19.1	179	-56	76	-166.2	0	0	112.9	Q613 V617	Q613-E615 WeakPolarHBondContact CB-OE2 3.49Å; Q613-E615 PolarHBondContact O-N 2.85Å; E615-V617 VanDerWaalsContact C-N 3.29Å
616	E	88.6	Confident	86.7	Confident	66 Å²	66	65.4 Å²	65.4	31%	0.308	40%	0.395	S	S	.	.	G	3₁₀ helix	trans	-88.3	-1.7	178.2	-58.1	178.9	112.7	0	0	112	L612 Q613 G614 H626 A627	L612-E616 HydrophobicContact CB-CB 4.28Å; L612-E616 HydrophobicContact CD2-CB 4.37Å; Q613-E616 HydrophobicContact CB-CG 4.36Å; Q613-E616 PolarHBondContact N-OE2 2.85Å; Q613-E616 WeakPolarHBondContact O-CB 3.26Å; Q613-E616 PolarHBondContact O-N 2.95Å; G614-E616 PolarHBondContact O-N 3.19Å; E616-H626 CarbonylContact O-C 3.57Å; E616-H626 WeakPolarHBondContact O-CA 3.14Å; E616-A627 WeakPolarHBondContact O-CB 3.49Å; E616-A627 PolarHBondContact O-N 3.19Å
617	V	90.4	Very high	86.9	Confident	16 Å²	16	66 Å²	66	10%	0.097	40%	0.403	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	126.9	-176.1	-177.7	0	0	0	0	110.5	F604 L612 G614 E615 L619 P624 L633	F604-V617 HydrophobicContact CB-CG2 3.72Å; F604-V617 HydrophobicContact CD1-CG1 3.83Å; F604-V617 HydrophobicContact CD1-CG2 4.3Å; F604-V617 HydrophobicContact CD2-CG1 4.34Å; F604-V617 HydrophobicContact CD2-CG2 3.9Å; F604-V617 HydrophobicContact CE1-CG1 3.93Å; F604-V617 HydrophobicContact CE2-CG1 4.43Å; F604-V617 HydrophobicContact CG-CB 4.49Å; F604-V617 HydrophobicContact CG-CG1 4.05Å; F604-V617 HydrophobicContact CG-CG2 3.71Å; F604-V617 HydrophobicContact CZ-CG1 4.23Å; L612-V617 HydrophobicContact CB-CG2 4.08Å; L612-V617 HydrophobicContact CD1-CG2 4.35Å; G614-V617 PolarHBondContact O-N 2.89Å; E615-V617 VanDerWaalsContact C-N 3.29Å; V617-L619 HydrophobicContact CG1-CD2 3.57Å; V617-L619 HydrophobicContact CG1-CG 3.92Å; V617-P624 HydrophobicContact CG1-CB 4.3Å; V617-L633 HydrophobicContact CB-CD1 4.24Å; V617-L633 HydrophobicContact CG1-CD1 3.76Å; V617-L633 HydrophobicContact CG2-CD1 3.83Å
618	D	90	Very high	87.3	Confident	31 Å²	31	71.1 Å²	71.1	17%	0.166	42%	0.417	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100	112.8	172.3	-178.2	-5.6	0	0	0	109.7	T620 V625 A627 K630	D618-T620 WeakPolarHBondContact OD1-CB 3.27Å; D618-T620 WeakPolarHBondContact OD1-CG2 3.2Å; D618-T620 PolarHBondContact OD1-N 2.96Å; D618-T620 PolarHBondContact OD1-OG1 3.24Å; D618-V625 HydrophobicContact CB-CG2 3.88Å; D618-V625 PolarHBondContact N-O 3.41Å; D618-V625 PolarHBondContact O-N 3.14Å; D618-A627 HydrophobicContact CB-CB 4.44Å; D618-K630 IonicContact OD2-NZ 3.78Å; D618-K630 PolarHBondContact OD2-NZ 3.25Å
619	L	88.1	Confident	87.8	Confident	101 Å²	101	71 Å²	71	53%	0.529	41%	0.413	S	S	.	.			trans	-103.6	11.4	-179.1	-59.5	177.2	0	0	0	112.9	F604 V617 G621 P624	F604-L619 HydrophobicContact CE1-CD2 3.83Å; F604-L619 HydrophobicContact CZ-CD1 4.49Å; F604-L619 HydrophobicContact CZ-CD2 3.87Å; V617-L619 HydrophobicContact CG1-CD2 3.57Å; V617-L619 HydrophobicContact CG1-CG 3.92Å; L619-G621 VanDerWaalsContact C-N 3.33Å; L619-P624 HydrophobicContact CD2-CB 3.78Å; L619-P624 HydrophobicContact CD2-CG 3.7Å
620	T	87.3	Confident	88.4	Confident	132 Å²	132	74.6 Å²	74.6	81%	0.81	42%	0.417	S	S	*	.	S	Bend	trans	-73.5	-25.4	-176.2	60.6	0	0	0	0	113.2	D618	D618-T620 WeakPolarHBondContact OD1-CB 3.27Å; D618-T620 WeakPolarHBondContact OD1-CG2 3.2Å; D618-T620 PolarHBondContact OD1-N 2.96Å; D618-T620 PolarHBondContact OD1-OG1 3.24Å
621	G	82.9	Confident	89	Confident	49 Å²	49	73.7 Å²	73.7	51%	0.505	41%	0.413	S	S	.	.	S	Bend	trans	-90.9	179.2	175.6	0	0	0	0	0	114	L619 V623	L619-G621 VanDerWaalsContact C-N 3.33Å; G621-V623 VanDerWaalsContact C-N 3.26Å; G621-V623 PolarHBondContact O-N 3.3Å
622	S	82.4	Confident	89.2	Confident	129 Å²	129	77.6 Å²	77.6	90%	0.902	43%	0.431	S	S	*	.	S	Bend	trans	-72.1	-18	175.4	55.1	0	0	0	0	113.9
623	V	88.7	Confident	89.5	Confident	72 Å²	72	78.2 Å²	78.2	44%	0.436	44%	0.435	S	S	.	.	S	Bend	trans	-125.6	127.4	178.3	-179	0	0	0	0	108.3	G621 V625	G621-V623 VanDerWaalsContact C-N 3.26Å; G621-V623 PolarHBondContact O-N 3.3Å; V623-V625 PolarHBondContact O-N 2.72Å
624	P	90.6	Very high	89.7	Confident	23 Å²	23	78 Å²	78	15%	0.149	43%	0.434	C	S	.	.			trans	-61	131.6	173.7	-29.3	40.8	0	0	0	112	F604 V617 L619 L633 V635	F604-P624 HydrophobicContact CD1-CB 4.13Å; F604-P624 HydrophobicContact CE1-CB 3.91Å; F604-P624 HydrophobicContact CE1-CG 4.04Å; V617-P624 HydrophobicContact CG1-CB 4.3Å; L619-P624 HydrophobicContact CD2-CB 3.78Å; L619-P624 HydrophobicContact CD2-CG 3.7Å; P624-L633 HydrophobicContact CB-CB 4.48Å; P624-L633 HydrophobicContact CB-CD1 4.39Å; P624-L633 PolarHBondContact O-N 2.92Å; P624-L633 VanDerWaalsContact O-N 3.14Å; P624-V635 HydrophobicContact CB-CG2 3.95Å; P624-V635 HydrophobicContact CG-CG2 3.73Å
625	V	93.6	Very high	90.1	Very high	29 Å²	29	78.3 Å²	78.3	18%	0.176	43%	0.425	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	156.5	177.3	-61.1	0	0	0	0	110.8	D618 V623 A627 K630 E631	D618-V625 HydrophobicContact CB-CG2 3.88Å; D618-V625 PolarHBondContact N-O 3.41Å; D618-V625 PolarHBondContact O-N 3.14Å; V623-V625 PolarHBondContact O-N 2.72Å; V625-A627 PolarHBondContact O-N 3.43Å; V625-K630 HydrophobicContact CG2-CD 4.02Å; V625-E631 CarbonylContact C-O 3.45Å; V625-E631 WeakPolarHBondContact CA-O 3.39Å; V625-E631 WeakPolarHBondContact CB-O 3.33Å
626	H	94.1	Very high	90.2	Very high	21 Å²	21	72.9 Å²	72.9	10%	0.097	40%	0.402	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.2	129.8	172	-176.1	-72.2	0	0	0	109.6	L606 E616 K628 T629 K630 E631 L633	L606-H626 HydrophobicContact CD2-CB 4.28Å; E616-H626 CarbonylContact O-C 3.57Å; E616-H626 WeakPolarHBondContact O-CA 3.14Å; H626-K628 VanDerWaalsContact C-N 3.27Å; H626-K628 PolarHBondContact ND1-N 2.83Å; H626-K628 VanDerWaalsContact ND1-N 3.16Å; H626-K628 PolarHBondContact O-N 2.74Å; H626-K628 VanDerWaalsContact O-N 3.13Å; H626-T629 VanDerWaalsContact CB-OG1 3.29Å; H626-T629 WeakPolarHBondContact CB-OG1 3.28Å; H626-T629 PolarHBondContact ND1-N 2.96Å; H626-T629 PolarHBondContact ND1-OG1 3.07Å; H626-K630 VanDerWaalsContact O-CA 3.25Å; H626-K630 WeakPolarHBondContact O-CA 3.26Å; H626-K630 PolarHBondContact O-N 3.14Å; H626-E631 HydrophobicContact CB-CB 4.42Å; H626-E631 PolarHBondContact N-O 3.02Å; H626-L633 HydrophobicContact CB-CD2 3.99Å
627	A	91.3	Very high	90.2	Very high	31 Å²	31	73.8 Å²	73.8	26%	0.256	40%	0.403	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.3	-39.4	-169.4	0	0	0	0	0	113.5	E616 D618 V625 K630	E616-A627 WeakPolarHBondContact O-CB 3.49Å; E616-A627 PolarHBondContact O-N 3.19Å; D618-A627 HydrophobicContact CB-CB 4.44Å; V625-A627 PolarHBondContact O-N 3.43Å; A627-K630 WeakPolarHBondContact O-CE 3.49Å; A627-K630 PolarHBondContact O-NZ 3.09Å
628	K	91.8	Very high	90	Very high	188 Å²	188	74.4 Å²	74.4	82%	0.817	41%	0.405	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88	-58.9	179.3	-58.9	178.7	-178.8	170.6	0	114.3	H626 K630	H626-K628 VanDerWaalsContact C-N 3.27Å; H626-K628 PolarHBondContact ND1-N 2.83Å; H626-K628 VanDerWaalsContact ND1-N 3.16Å; H626-K628 PolarHBondContact O-N 2.74Å; H626-K628 VanDerWaalsContact O-N 3.13Å; K628-K630 VanDerWaalsContact C-N 3.3Å; K628-K630 PolarHBondContact O-N 3.39Å
629	T	91.6	Very high	89.8	Confident	91 Å²	91	77 Å²	77	56%	0.558	42%	0.415	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.2	-15.3	-173.5	61.7	0	0	0	0	113.8	H626 E631	H626-T629 VanDerWaalsContact CB-OG1 3.29Å; H626-T629 WeakPolarHBondContact CB-OG1 3.28Å; H626-T629 PolarHBondContact ND1-N 2.96Å; H626-T629 PolarHBondContact ND1-OG1 3.07Å; T629-E631 PolarHBondContact O-N 3.44Å; T629-E631 VanDerWaalsContact O-N 3.14Å; T629-E631 WeakPolarHBondContact OG1-CB 3.34Å; T629-E631 PolarHBondContact OG1-N 3.33Å
630	K	92.6	Very high	89.7	Confident	114 Å²	114	72.3 Å²	72.3	50%	0.496	39%	0.39	S	S	.	.			trans	58.6	16.9	-172.9	-53.9	-54.3	-170.6	-170.1	0	113.9	D618 V625 H626 A627 K628	D618-K630 IonicContact OD2-NZ 3.78Å; D618-K630 PolarHBondContact OD2-NZ 3.25Å; V625-K630 HydrophobicContact CG2-CD 4.02Å; H626-K630 VanDerWaalsContact O-CA 3.25Å; H626-K630 WeakPolarHBondContact O-CA 3.26Å; H626-K630 PolarHBondContact O-N 3.14Å; A627-K630 WeakPolarHBondContact O-CE 3.49Å; A627-K630 PolarHBondContact O-NZ 3.09Å; K628-K630 VanDerWaalsContact C-N 3.3Å; K628-K630 PolarHBondContact O-N 3.39Å
631	E	93.2	Very high	89.3	Confident	87 Å²	87	67.3 Å²	67.3	41%	0.407	36%	0.36	S	S	.	.	P	Polyproline II helix	trans	-64.5	141	172.8	-172	173.3	-176.8	0	0	110.5	L606 P607 V625 H626 T629	L606-E631 HydrophobicContact CD2-CB 4.46Å; L606-E631 HydrophobicContact CD2-CG 4.42Å; P607-E631 WeakPolarHBondContact CD-OE1 3.5Å; V625-E631 CarbonylContact C-O 3.45Å; V625-E631 WeakPolarHBondContact CA-O 3.39Å; V625-E631 WeakPolarHBondContact CB-O 3.33Å; H626-E631 HydrophobicContact CB-CB 4.42Å; H626-E631 PolarHBondContact N-O 3.02Å; T629-E631 PolarHBondContact O-N 3.44Å; T629-E631 VanDerWaalsContact O-N 3.14Å; T629-E631 WeakPolarHBondContact OG1-CB 3.34Å; T629-E631 PolarHBondContact OG1-N 3.33Å
632	K	93.2	Very high	88.9	Confident	152 Å²	152	69.7 Å²	69.7	66%	0.661	36%	0.356	S	S	*	.	B	Isolated β-bridge	trans	-69	138.5	178.5	-69.7	-177.6	179.6	178.4	0	110.5
633	L	92.3	Very high	88.5	Confident	15 Å²	15	67.6 Å²	67.6	8%	0.079	34%	0.342	C	S	.	.	P	Polyproline II helix	trans	-100.8	145.7	-179.3	-55.2	179.9	0	0	0	111.5	F604 R605 L606 L612 V617 P624 H626	F604-L633 HydrophobicContact CB-CD1 4.21Å; F604-L633 HydrophobicContact CD1-CD1 4.29Å; R605-L633 WeakPolarHBondContact O-CA 3.2Å; L606-L633 HydrophobicContact CD2-CD2 3.72Å; L606-L633 HydrophobicContact CG-CD2 4.49Å; L612-L633 HydrophobicContact CD1-CD1 3.81Å; L612-L633 HydrophobicContact CD1-CD2 3.36Å; L612-L633 HydrophobicContact CD1-CG 4.21Å; V617-L633 HydrophobicContact CB-CD1 4.24Å; V617-L633 HydrophobicContact CG1-CD1 3.76Å; V617-L633 HydrophobicContact CG2-CD1 3.83Å; P624-L633 HydrophobicContact CB-CB 4.48Å; P624-L633 HydrophobicContact CB-CD1 4.39Å; P624-L633 PolarHBondContact O-N 2.92Å; P624-L633 VanDerWaalsContact O-N 3.14Å; H626-L633 HydrophobicContact CB-CD2 3.99Å
634	E	90.5	Very high	88.2	Confident	86 Å²	86	66.4 Å²	66.4	40%	0.402	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	130.6	160.9	-65.7	-173.3	174.1	0	0	109.3	F604 R605	F604-E634 WeakPolarHBondContact CA-O 3.35Å; R605-E634 HydrophobicContact CB-CB 4.39Å; R605-E634 IonicContact CZ-OE2 2.89Å; R605-E634 PolarHBondContact N-O 3.18Å; R605-E634 IonicContact NE-OE2 2.68Å; R605-E634 IonicContact NH2-OE2 3.48Å; R605-E634 PolarHBondContact NH2-OE2 3.06Å; R605-E634 PolarHBondContact O-N 2.88Å
635	V	90.7	Very high	87.9	Confident	58 Å²	58	69.7 Å²	69.7	35%	0.352	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	116	-178.2	-170.9	0	0	0	0	108.8	Q602 T603 F604 P624	Q602-V635 HydrophobicContact CG-CG1 3.73Å; T603-V635 WeakPolarHBondContact O-CA 3.23Å; F604-V635 HydrophobicContact CD1-CG1 4.29Å; F604-V635 HydrophobicContact CD1-CG2 3.97Å; F604-V635 HydrophobicContact CE1-CG1 3.93Å; F604-V635 HydrophobicContact CE1-CG2 4.04Å; P624-V635 HydrophobicContact CB-CG2 3.95Å; P624-V635 HydrophobicContact CG-CG2 3.73Å
636	T	89.7	Confident	87.4	Confident	39 Å²	39	68.9 Å²	68.9	24%	0.239	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	163.8	-177.9	55.1	0	0	0	0	110.8	T603 E638	T603-T636 PolarHBondContact N-O 3.13Å; T603-T636 PolarHBondContact O-N 3.36Å; T636-E638 WeakPolarHBondContact OG1-CG 3.34Å; T636-E638 PolarHBondContact OG1-OE1 2.82Å
637	W	89.6	Confident	86.9	Confident	86 Å²	86	69.9 Å²	69.9	33%	0.326	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	105.5	171.3	-74.8	94.2	0	0	0	109.4	K600 Q602 L677 W678 D679	K600-W637 HydrophobicContact CB-CB 4.38Å; K600-W637 HydrophobicContact CB-CE3 4.47Å; Q602-W637 HydrophobicContact CB-CE3 4.36Å; Q602-W637 HydrophobicContact CB-CH2 3.93Å; Q602-W637 HydrophobicContact CB-CZ2 4.14Å; Q602-W637 HydrophobicContact CB-CZ3 4.05Å; Q602-W637 HydrophobicContact CG-CZ2 4.4Å; W637-L677 HydrophobicContact CB-CD2 3.99Å; W637-L677 HydrophobicContact CD2-CB 4.28Å; W637-L677 HydrophobicContact CD2-CD2 4.23Å; W637-L677 HydrophobicContact CE3-CB 3.97Å; W637-L677 HydrophobicContact CE3-CD2 4.23Å; W637-L677 HydrophobicContact CG-CD2 4.15Å; W637-L677 HydrophobicContact CZ3-CB 4.1Å; W637-W678 VanDerWaalsContact CH2-O 3.25Å; W637-W678 WeakPolarHBondContact CH2-O 3.43Å; W637-W678 WeakPolarHBondContact CZ3-O 3.33Å; W637-D679 HydrophobicContact CH2-CB 4.01Å
638	E	86.6	Confident	86.6	Confident	29 Å²	29	70.1 Å²	70.1	14%	0.136	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	159.3	-171.5	-59.8	-172	-151.3	0	0	111.7	K600 G601 R605 T636 M640 K644 N646	K600-E638 CarbonylContact C-O 3.53Å; K600-E638 WeakPolarHBondContact CA-O 3.44Å; K600-E638 WeakPolarHBondContact CB-O 3.41Å; G601-E638 PolarHBondContact N-O 3.45Å; G601-E638 PolarHBondContact O-N 3.48Å; G601-E638 VanDerWaalsContact O-N 3.12Å; R605-E638 IonicContact CZ-OE1 2.92Å; R605-E638 IonicContact NH1-OE1 3.59Å; R605-E638 PolarHBondContact NH1-OE1 2.74Å; T636-E638 WeakPolarHBondContact OG1-CG 3.34Å; T636-E638 PolarHBondContact OG1-OE1 2.82Å; E638-M640 PolarHBondContact O-N 3.23Å; E638-K644 HydrophobicContact CB-CD 4.08Å; E638-K644 WeakPolarHBondContact OE2-CD 3.23Å; E638-K644 VanDerWaalsContact OE2-CE 3.27Å; E638-K644 WeakPolarHBondContact OE2-CE 3.37Å; E638-K644 IonicContact OE2-NZ 3.81Å; E638-K644 PolarHBondContact OE2-NZ 3.08Å; E638-N646 PolarHBondContact O-ND2 3.04Å
639	K	84.6	Confident	86.4	Confident	86 Å²	86	62.6 Å²	62.6	37%	0.374	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-48.3	129.1	173.9	-178.3	176	172.7	172.6	0	109.6	E562 L598 S641 N646	E562-K639 IonicContact OE1-NZ 3.54Å; E562-K639 PolarHBondContact OE1-NZ 3.01Å; L598-K639 HydrophobicContact CD1-CB 4.13Å; L598-K639 HydrophobicContact CD1-CD 4.16Å; L598-K639 HydrophobicContact CD1-CG 4.24Å; L598-K639 HydrophobicContact CD2-CD 4.04Å; L598-K639 HydrophobicContact CD2-CG 4.31Å; K639-S641 PolarHBondContact O-N 3.49Å; K639-N646 PolarHBondContact O-ND2 3.48Å; K639-N646 VanDerWaalsContact O-ND2 3.12Å
640	M	86.2	Confident	86.3	Confident	2 Å²	2	58.3 Å²	58.3	1%	0.01	30%	0.295	C	S	.	.			trans	-59.5	125.2	174.4	-73.4	-170.2	175.8	0	0	110.3	M99 I599 E638 N646 V648 W678	M99-M640 HydrophobicContact CB-SD 4.03Å; I599-M640 HydrophobicContact CG2-CE 3.67Å; I599-M640 HydrophobicContact CG2-CG 4.28Å; I599-M640 HydrophobicContact CG2-SD 3.64Å; I599-M640 PolarHBondContact O-N 3.23Å; I599-M640 VanDerWaalsContact O-N 3.16Å; E638-M640 PolarHBondContact O-N 3.23Å; M640-N646 VanDerWaalsContact CA-OD1 3.3Å; M640-N646 WeakPolarHBondContact CA-OD1 3.23Å; M640-N646 WeakPolarHBondContact CG-O 3.42Å; M640-V648 HydrophobicContact CE-CB 4.16Å; M640-V648 HydrophobicContact CE-CG2 3.63Å; M640-V648 HydrophobicContact SD-CB 4.38Å; M640-V648 HydrophobicContact SD-CG2 4.39Å; M640-W678 HydrophobicContact CE-CB 3.47Å; M640-W678 VanDerWaalsContact CE-CB 3.47Å; M640-W678 HydrophobicContact CE-CD2 4.28Å; M640-W678 HydrophobicContact CE-CG 3.66Å
641	S	79.1	Confident	86.2	Confident	26 Å²	26	55.3 Å²	55.3	18%	0.182	28%	0.283	C	S	.	.			trans	-156.4	157.9	178.2	65.5	0	0	0	0	110.9	K639 K644 N646	K639-S641 PolarHBondContact O-N 3.49Å; S641-K644 PolarHBondContact O-N 3.07Å; S641-K644 WeakPolarHBondContact OG-CB 3.24Å; S641-K644 WeakPolarHBondContact OG-CD 3.41Å; S641-K644 WeakPolarHBondContact OG-CG 3.35Å; S641-N646 PolarHBondContact N-OD1 2.93Å; S641-N646 PolarHBondContact O-OD1 2.72Å
642	K	74.8	Confident	85.9	Confident	99 Å²	99	57 Å²	57	43%	0.43	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.4	-39.3	-179.3	-66.6	172.4	-173.5	152.9	0	112.4	S94 K644 H645	S94-K642 PolarHBondContact O-NZ 3.22Å; S94-K642 PolarHBondContact OG-NZ 2.6Å; K642-K644 PolarHBondContact O-N 3.24Å; K642-H645 PolarHBondContact O-N 3.28Å
643	S	73.9	Confident	85.7	Confident	85 Å²	85	50.1 Å²	50.1	59%	0.594	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.8	-22.1	-178.9	51.1	0	0	0	0	113.7
644	K	82.2	Confident	85.6	Confident	47 Å²	47	50.6 Å²	50.6	20%	0.204	27%	0.265	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96.2	-2.7	179.1	-62.3	-177.9	-176.6	-167.2	0	113.7	T603 Y611 E638 S641 K642 N646	T603-K644 HydrophobicContact CG2-CB 4.2Å; Y611-K644 HydrophobicContact CD1-CB 4.02Å; Y611-K644 HydrophobicContact CD1-CG 4.04Å; Y611-K644 HydrophobicContact CE1-CB 4.14Å; Y611-K644 HydrophobicContact CE1-CD 4.14Å; Y611-K644 HydrophobicContact CE1-CG 3.71Å; Y611-K644 HydrophobicContact CE2-CG 4.37Å; Y611-K644 HydrophobicContact CG-CG 4.5Å; E638-K644 HydrophobicContact CB-CD 4.08Å; E638-K644 WeakPolarHBondContact OE2-CD 3.23Å; E638-K644 VanDerWaalsContact OE2-CE 3.27Å; E638-K644 WeakPolarHBondContact OE2-CE 3.37Å; E638-K644 IonicContact OE2-NZ 3.81Å; E638-K644 PolarHBondContact OE2-NZ 3.08Å; S641-K644 PolarHBondContact O-N 3.07Å; S641-K644 WeakPolarHBondContact OG-CB 3.24Å; S641-K644 WeakPolarHBondContact OG-CD 3.41Å; S641-K644 WeakPolarHBondContact OG-CG 3.35Å; K642-K644 PolarHBondContact O-N 3.24Å; K644-N646 HydrophobicContact CB-CB 4.45Å; K644-N646 PolarHBondContact O-N 2.83Å
645	H	83.3	Confident	85.7	Confident	92 Å²	92	52.3 Å²	52.3	43%	0.426	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.9	25.3	-178.4	-55.9	-66.7	0	0	0	114.9	L612 Q613 K642	L612-H645 WeakPolarHBondContact O-CB 3.34Å; Q613-H645 HydrophobicContact CG-CB 4.16Å; K642-H645 PolarHBondContact O-N 3.28Å
646	N	84.8	Confident	85.7	Confident	13 Å²	13	54.7 Å²	54.7	7%	0.07	28%	0.28	C	S	.	.			trans	-112.2	7.9	-174.6	69.4	-12	0	0	0	113.1	Q602 T603 E638 K639 M640 S641 K644	Q602-N646 WeakPolarHBondContact O-CB 3.33Å; T603-N646 WeakPolarHBondContact OG1-CB 3.47Å; T603-N646 PolarHBondContact OG1-ND2 2.92Å; E638-N646 PolarHBondContact O-ND2 3.04Å; K639-N646 PolarHBondContact O-ND2 3.48Å; K639-N646 VanDerWaalsContact O-ND2 3.12Å; M640-N646 VanDerWaalsContact CA-OD1 3.3Å; M640-N646 WeakPolarHBondContact CA-OD1 3.23Å; M640-N646 WeakPolarHBondContact CG-O 3.42Å; S641-N646 PolarHBondContact N-OD1 2.93Å; S641-N646 PolarHBondContact O-OD1 2.72Å; K644-N646 HydrophobicContact CB-CB 4.45Å; K644-N646 PolarHBondContact O-N 2.83Å
647	G	82.9	Confident	85.8	Confident	41 Å²	41	55.1 Å²	55.1	42%	0.423	28%	0.278	S	S	.	.	P	Polyproline II helix	trans	-81.2	133.7	-179.7	0	0	0	0	0	112
648	V	85.4	Confident	86	Confident	37 Å²	37	51 Å²	51	22%	0.224	26%	0.262	C	S	.	.	P	Polyproline II helix	trans	-95.1	129.2	175.7	177	0	0	0	0	109.7	M99 M640 P650 V653 W678	M99-V648 HydrophobicContact CG-CB 4Å; M99-V648 HydrophobicContact CG-CG1 4.15Å; M640-V648 HydrophobicContact CE-CB 4.16Å; M640-V648 HydrophobicContact CE-CG2 3.63Å; M640-V648 HydrophobicContact SD-CB 4.38Å; M640-V648 HydrophobicContact SD-CG2 4.39Å; V648-P650 WeakPolarHBondContact O-CD 3.34Å; V648-V653 HydrophobicContact CG1-CG2 3.49Å; V648-V653 VanDerWaalsContact CG1-CG2 3.49Å; V648-W678 HydrophobicContact CG1-CZ2 4.14Å; V648-W678 HydrophobicContact CG2-CG 4.36Å
649	D	87.6	Confident	86.4	Confident	29 Å²	29	50.2 Å²	50.2	16%	0.155	26%	0.259	C	S	.	.	P	Polyproline II helix	trans	-71.3	117.5	177.5	-167	-33.1	0	0	0	109.8	K96 E651 E652 V653	K96-D649 IonicContact NZ-OD2 3.9Å; D649-E651 PolarHBondContact O-N 3.31Å; D649-E651 PolarHBondContact OD1-N 3.04Å; D649-E652 HydrophobicContact CB-CG 4.09Å; D649-E652 PolarHBondContact O-N 2.84Å; D649-V653 PolarHBondContact O-N 3.33Å
650	P	89.5	Confident	87	Confident	1 Å²	1	46.1 Å²	46.1	1%	0.006	24%	0.241	C	C	.	.	H	α-helix	trans	-58.8	-31.2	-179.8	-26	36.8	0	0	0	114	L97 M99 V102 L164 V648 E652 V653 V654	L97-P650 HydrophobicContact CB-CG 4.32Å; L97-P650 WeakPolarHBondContact O-CD 3.19Å; M99-P650 HydrophobicContact SD-CB 3.94Å; M99-P650 HydrophobicContact SD-CG 3.97Å; V102-P650 HydrophobicContact CG2-CB 3.69Å; V102-P650 HydrophobicContact CG2-CG 3.5Å; L164-P650 HydrophobicContact CD1-CB 4.36Å; L164-P650 HydrophobicContact CD2-CB 3.98Å; V648-P650 WeakPolarHBondContact O-CD 3.34Å; P650-E652 VanDerWaalsContact C-N 3.34Å; P650-V653 PolarHBondContact O-N 2.92Å; P650-V654 VanDerWaalsContact O-CG2 3.29Å; P650-V654 WeakPolarHBondContact O-CG2 3.43Å; P650-V654 PolarHBondContact O-N 2.94Å
651	E	89.3	Confident	87.5	Confident	51 Å²	51	46 Å²	46	24%	0.238	24%	0.241	C	C	.	.	H	α-helix	trans	-67.3	-37.6	-177.9	-62.8	-163	155	0	0	111.6	Q160 R163 D649 V653 V654 E655	Q160-E651 HydrophobicContact CG-CG 4.4Å; R163-E651 WeakPolarHBondContact CD-OE1 3.38Å; R163-E651 IonicContact CZ-OE1 3.98Å; R163-E651 IonicContact NE-OE1 2.67Å; R163-E651 IonicContact NH1-OE1 3.82Å; R163-E651 PolarHBondContact NH1-OE1 3.36Å; R163-E651 IonicContact NH1-OE2 3.68Å; R163-E651 PolarHBondContact NH1-OE2 3.3Å; D649-E651 PolarHBondContact O-N 3.31Å; D649-E651 PolarHBondContact OD1-N 3.04Å; E651-V653 VanDerWaalsContact C-N 3.34Å; E651-V654 PolarHBondContact O-N 3.2Å; E651-E655 WeakPolarHBondContact O-CB 3.33Å; E651-E655 PolarHBondContact O-N 3.26Å
652	E	88.4	Confident	88.2	Confident	122 Å²	122	45 Å²	45	57%	0.57	23%	0.233	S	C	*	.	H	α-helix	trans	-65.1	-41.1	177	-66.1	-178.8	177.9	0	0	111.1	D649 P650 E655 Q656	D649-E652 HydrophobicContact CB-CG 4.09Å; D649-E652 PolarHBondContact O-N 2.84Å; P650-E652 VanDerWaalsContact C-N 3.34Å; E652-E655 PolarHBondContact O-N 2.96Å; E652-Q656 WeakPolarHBondContact O-CG 3.43Å; E652-Q656 PolarHBondContact O-N 2.92Å; E652-Q656 VanDerWaalsContact O-N 3.14Å
653	V	88.7	Confident	89.2	Confident	9 Å²	9	40.4 Å²	40.4	6%	0.055	21%	0.213	C	C	.	.	H	α-helix	trans	-65.4	-43	176.4	-168.8	0	0	0	0	110	M99 V648 D649 P650 E651 E655 Q656 Y657 I662 W678	M99-V653 HydrophobicContact SD-CG2 4.3Å; V648-V653 HydrophobicContact CG1-CG2 3.49Å; V648-V653 VanDerWaalsContact CG1-CG2 3.49Å; D649-V653 PolarHBondContact O-N 3.33Å; P650-V653 PolarHBondContact O-N 2.92Å; E651-V653 VanDerWaalsContact C-N 3.34Å; V653-E655 VanDerWaalsContact C-N 3.3Å; V653-E655 PolarHBondContact O-N 3.22Å; V653-Q656 PolarHBondContact O-N 3.43Å; V653-Y657 HydrophobicContact CG1-CD2 3.77Å; V653-Y657 HydrophobicContact CG1-CE2 4.39Å; V653-Y657 WeakPolarHBondContact O-CD2 3.44Å; V653-Y657 PolarHBondContact O-N 3.35Å; V653-I662 HydrophobicContact CB-CD1 3.77Å; V653-I662 HydrophobicContact CB-CG1 4.43Å; V653-I662 HydrophobicContact CG1-CD1 3.5Å; V653-I662 HydrophobicContact CG1-CG1 3.63Å; V653-W678 HydrophobicContact CG1-CH2 3.92Å; V653-W678 HydrophobicContact CG1-CZ2 3.97Å; V653-W678 HydrophobicContact CG2-CH2 4.19Å; V653-W678 HydrophobicContact CG2-CZ2 3.77Å
654	V	90.9	Very high	90.2	Very high	24 Å²	24	36.4 Å²	36.4	15%	0.145	19%	0.185	C	C	.	.	H	α-helix	trans	-61.3	-40.6	177.2	170.5	0	0	0	0	110.6	L164 P650 E651 Q656 G658 I659 I662	L164-V654 HydrophobicContact CD2-CG2 3.67Å; P650-V654 VanDerWaalsContact O-CG2 3.29Å; P650-V654 WeakPolarHBondContact O-CG2 3.43Å; P650-V654 PolarHBondContact O-N 2.94Å; E651-V654 PolarHBondContact O-N 3.2Å; V654-Q656 VanDerWaalsContact C-N 3.27Å; V654-Q656 PolarHBondContact O-N 3.12Å; V654-G658 WeakPolarHBondContact O-CA 3.39Å; V654-G658 PolarHBondContact O-N 3.49Å; V654-I659 HydrophobicContact CG1-CG1 3.81Å; V654-I662 HydrophobicContact CB-CD1 3.97Å; V654-I662 HydrophobicContact CG2-CD1 3.41Å; V654-I662 VanDerWaalsContact CG2-CD1 3.41Å
655	E	91.3	Very high	90.8	Very high	122 Å²	122	34.2 Å²	34.2	57%	0.57	18%	0.175	S	C	*	.	H	α-helix	trans	-64.9	-34.2	178.5	-173.1	56.5	-146.2	0	0	112.2	K57 E651 E652 V653	K57-E655 WeakPolarHBondContact CE-O 3.48Å; K57-E655 PolarHBondContact NZ-O 3.36Å; K57-E655 IonicContact NZ-OE1 3.35Å; K57-E655 PolarHBondContact NZ-OE1 2.95Å; K57-E655 IonicContact NZ-OE2 3.82Å; E651-E655 WeakPolarHBondContact O-CB 3.33Å; E651-E655 PolarHBondContact O-N 3.26Å; E652-E655 PolarHBondContact O-N 2.96Å; V653-E655 VanDerWaalsContact C-N 3.3Å; V653-E655 PolarHBondContact O-N 3.22Å
656	Q	90.9	Very high	91.3	Very high	108 Å²	108	29.9 Å²	29.9	51%	0.505	16%	0.155	S	C	.	.	H	α-helix	trans	-78.9	-40.5	179	-69.8	177.1	16.5	0	0	113.1	L53 E652 V653 V654	L53-Q656 WeakPolarHBondContact CD1-O 3.23Å; E652-Q656 WeakPolarHBondContact O-CG 3.43Å; E652-Q656 PolarHBondContact O-N 2.92Å; E652-Q656 VanDerWaalsContact O-N 3.14Å; V653-Q656 PolarHBondContact O-N 3.43Å; V654-Q656 VanDerWaalsContact C-N 3.27Å; V654-Q656 PolarHBondContact O-N 3.12Å
657	Y	92.1	Very high	91.8	Very high	49 Å²	49	29.5 Å²	29.5	19%	0.192	15%	0.153	C	C	.	.	H	α-helix	trans	-122	-12.6	-167.4	-60.2	-73.3	0	0	0	114.6	R56 V653 T661 V680 L685 L689	R56-Y657 WeakPolarHBondContact CD-O 3.16Å; R56-Y657 PolarHBondContact NH1-O 2.63Å; V653-Y657 HydrophobicContact CG1-CD2 3.77Å; V653-Y657 HydrophobicContact CG1-CE2 4.39Å; V653-Y657 WeakPolarHBondContact O-CD2 3.44Å; V653-Y657 PolarHBondContact O-N 3.35Å; Y657-T661 WeakPolarHBondContact O-CB 3.22Å; Y657-T661 PolarHBondContact O-OG1 2.8Å; Y657-V680 VanDerWaalsContact OH-CG1 3.23Å; Y657-V680 WeakPolarHBondContact OH-CG1 3.21Å; Y657-L685 HydrophobicContact CD1-CD2 3.77Å; Y657-L685 HydrophobicContact CD1-CG 4.37Å; Y657-L685 HydrophobicContact CD2-CD2 4.07Å; Y657-L685 HydrophobicContact CE1-CD2 3.5Å; Y657-L685 HydrophobicContact CE1-CG 4.42Å; Y657-L685 HydrophobicContact CE2-CD2 3.83Å; Y657-L685 HydrophobicContact CG-CD2 4.04Å; Y657-L689 HydrophobicContact CD1-CD1 4.39Å
658	G	93.9	Very high	92.4	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	14%	0.143	C	C	.	.			trans	79.4	158.9	-174.8	0	0	0	0	0	113.7	E60 V654 I662	E60-G658 WeakPolarHBondContact OE1-CA 3.4Å; E60-G658 VanDerWaalsContact OE2-CA 3.26Å; E60-G658 WeakPolarHBondContact OE2-CA 3.26Å; V654-G658 WeakPolarHBondContact O-CA 3.39Å; V654-G658 PolarHBondContact O-N 3.49Å; G658-I662 WeakPolarHBondContact O-CG1 3.1Å; G658-I662 PolarHBondContact O-N 3.28Å
659	I	95.5	Very high	92.7	Very high	12 Å²	12	29.8 Å²	29.8	6%	0.062	15%	0.146	C	C	.	.	H	α-helix	trans	-58.9	-54.5	-174.5	-60	171.7	0	0	0	111.5	E60 R163 L164 V654 T661 I662 R663	E60-I659 HydrophobicContact CB-CD1 4.32Å; E60-I659 HydrophobicContact CG-CB 4.37Å; E60-I659 PolarHBondContact OE1-N 3.31Å; E60-I659 PolarHBondContact OE2-N 2.62Å; R163-I659 VanDerWaalsContact O-CD1 3.28Å; R163-I659 WeakPolarHBondContact O-CD1 3.44Å; L164-I659 WeakPolarHBondContact O-CG2 3.3Å; V654-I659 HydrophobicContact CG1-CG1 3.81Å; I659-T661 VanDerWaalsContact C-N 3.29Å; I659-T661 PolarHBondContact O-N 2.78Å; I659-I662 PolarHBondContact O-N 2.93Å; I659-R663 HydrophobicContact CG2-CG 4.43Å; I659-R663 WeakPolarHBondContact O-CG 3.49Å; I659-R663 PolarHBondContact O-N 3.2Å; I659-R663 VanDerWaalsContact O-N 3.08Å
660	D	97	Very high	92.8	Very high	0 Å²	0	29 Å²	29	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-68.8	-30.8	-173	-84.5	-2.6	0	0	0	112.2	E60 I662 L664 A792 P793 H794 I795	E60-D660 PolarHBondContact OE1-N 2.82Å; E60-D660 VanDerWaalsContact OE1-N 3.11Å; D660-I662 VanDerWaalsContact C-N 3.35Å; D660-L664 WeakPolarHBondContact O-CB 3.5Å; D660-L664 WeakPolarHBondContact O-CG 3.5Å; D660-L664 PolarHBondContact O-N 3.41Å; D660-A792 HydrophobicContact CB-CB 4.11Å; D660-P793 VanDerWaalsContact OD1-CD 3.27Å; D660-P793 WeakPolarHBondContact OD1-CD 3.29Å; D660-H794 IonicContact OD1-CE1 3.12Å; D660-H794 IonicContact OD1-CG 2.8Å; D660-H794 PolarHBondContact OD1-N 3.03Å; D660-H794 IonicContact OD1-ND1 2.7Å; D660-H794 PolarHBondContact OD1-ND1 3.23Å; D660-H794 WeakPolarHBondContact OD2-CA 3.49Å; D660-H794 WeakPolarHBondContact OD2-CB 3.45Å; D660-H794 IonicContact OD2-CG 3.56Å; D660-H794 PolarHBondContact OD2-N 2.75Å; D660-H794 IonicContact OD2-ND1 2.66Å; D660-I795 WeakPolarHBondContact OD2-CG2 3.14Å; D660-I795 PolarHBondContact OD2-N 3.16Å
661	T	95.6	Very high	92.8	Very high	0 Å²	0	31 Å²	31	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-64.9	-41.8	176.7	-57.9	0	0	0	0	111	R56 Y657 I659 Y665 L685 V688 L689 Q692	R56-T661 VanDerWaalsContact CZ-OG1 3.29Å; R56-T661 PolarHBondContact NE-OG1 3.26Å; R56-T661 PolarHBondContact NH1-OG1 2.99Å; R56-T661 VanDerWaalsContact NH1-OG1 3.16Å; Y657-T661 WeakPolarHBondContact O-CB 3.22Å; Y657-T661 PolarHBondContact O-OG1 2.8Å; I659-T661 VanDerWaalsContact C-N 3.29Å; I659-T661 PolarHBondContact O-N 2.78Å; T661-Y665 WeakPolarHBondContact O-CB 3.48Å; T661-Y665 PolarHBondContact O-N 3.4Å; T661-L685 HydrophobicContact CG2-CD1 3.68Å; T661-V688 HydrophobicContact CG2-CG1 4.03Å; T661-L689 HydrophobicContact CG2-CD2 3.65Å; T661-L689 HydrophobicContact CG2-CG 4.05Å; T661-Q692 PolarHBondContact OG1-NE2 2.92Å; T661-Q692 PolarHBondContact OG1-OE1 2.94Å
662	I	93.5	Very high	92.8	Very high	3 Å²	3	29 Å²	29	2%	0.015	15%	0.148	C	C	.	.	H	α-helix	trans	-69.2	-43.7	179.1	-68.6	163	0	0	0	111.1	M99 V102 V653 V654 G658 I659 D660 L664 Y665 I666	M99-I662 HydrophobicContact CE-CG2 3.64Å; V102-I662 HydrophobicContact CG1-CG2 4.37Å; V653-I662 HydrophobicContact CB-CD1 3.77Å; V653-I662 HydrophobicContact CB-CG1 4.43Å; V653-I662 HydrophobicContact CG1-CD1 3.5Å; V653-I662 HydrophobicContact CG1-CG1 3.63Å; V654-I662 HydrophobicContact CB-CD1 3.97Å; V654-I662 HydrophobicContact CG2-CD1 3.41Å; V654-I662 VanDerWaalsContact CG2-CD1 3.41Å; G658-I662 WeakPolarHBondContact O-CG1 3.1Å; G658-I662 PolarHBondContact O-N 3.28Å; I659-I662 PolarHBondContact O-N 2.93Å; D660-I662 VanDerWaalsContact C-N 3.35Å; I662-L664 VanDerWaalsContact C-N 3.33Å; I662-L664 PolarHBondContact O-N 3.4Å; I662-Y665 PolarHBondContact O-N 2.91Å; I662-I666 HydrophobicContact CG2-CD1 3.76Å; I662-I666 HydrophobicContact CG2-CG1 4.33Å; I662-I666 WeakPolarHBondContact O-CB 3.25Å; I662-I666 VanDerWaalsContact O-CG1 3.3Å; I662-I666 WeakPolarHBondContact O-CG1 3.29Å; I662-I666 PolarHBondContact O-N 2.61Å
663	R	95.8	Very high	92.8	Very high	3 Å²	3	28.5 Å²	28.5	1%	0.011	15%	0.146	C	C	.	.	H	α-helix	trans	-56.2	-50.6	176	-68.6	173.3	60.2	91.5	1.9	110.7	T106 D109 T110 I659 Y665 I666 L667 P790 M791	T106-R663 HydrophobicContact CG2-CB 3.85Å; T106-R663 HydrophobicContact CG2-CG 3.94Å; D109-R663 IonicContact OD2-CZ 3.86Å; D109-R663 IonicContact OD2-NH1 3.83Å; D109-R663 PolarHBondContact OD2-NH1 2.84Å; D109-R663 IonicContact OD2-NH2 3.36Å; D109-R663 PolarHBondContact OD2-NH2 3.33Å; T110-R663 PolarHBondContact OG1-NH2 3.27Å; I659-R663 HydrophobicContact CG2-CG 4.43Å; I659-R663 WeakPolarHBondContact O-CG 3.49Å; I659-R663 PolarHBondContact O-N 3.2Å; I659-R663 VanDerWaalsContact O-N 3.08Å; R663-Y665 PolarHBondContact O-N 3.49Å; R663-I666 PolarHBondContact O-N 3.27Å; R663-L667 WeakPolarHBondContact O-CB 3.08Å; R663-L667 WeakPolarHBondContact O-CG 3.5Å; R663-L667 PolarHBondContact O-N 3.25Å; R663-P790 PolarHBondContact NH2-O 3.49Å; R663-M791 PolarHBondContact NE-O 3.37Å
664	L	96.6	Very high	92.8	Very high	1 Å²	1	34.6 Å²	34.6	1%	0.005	17%	0.172	C	C	.	.	H	α-helix	trans	-62.3	-41.3	177.8	-72.7	178.2	0	0	0	112.6	D660 I662 L667 F668 V688 W691 Q692 I753 M791 A792	D660-L664 WeakPolarHBondContact O-CB 3.5Å; D660-L664 WeakPolarHBondContact O-CG 3.5Å; D660-L664 PolarHBondContact O-N 3.41Å; I662-L664 VanDerWaalsContact C-N 3.33Å; I662-L664 PolarHBondContact O-N 3.4Å; L664-L667 PolarHBondContact O-N 3.47Å; L664-F668 WeakPolarHBondContact O-CB 3.44Å; L664-F668 PolarHBondContact O-N 3.17Å; L664-V688 HydrophobicContact CB-CB 4.48Å; L664-V688 HydrophobicContact CB-CG1 3.44Å; L664-V688 VanDerWaalsContact CB-CG1 3.44Å; L664-V688 HydrophobicContact CB-CG2 4.2Å; L664-V688 HydrophobicContact CD1-CG1 3.9Å; L664-V688 HydrophobicContact CG-CG1 4.34Å; L664-W691 HydrophobicContact CD1-CE3 3.96Å; L664-W691 HydrophobicContact CD1-CZ3 3.79Å; L664-W691 HydrophobicContact CD2-CZ3 3.7Å; L664-W691 HydrophobicContact CG-CZ3 4.35Å; L664-Q692 HydrophobicContact CD1-CG 3.87Å; L664-I753 HydrophobicContact CD2-CD1 4.08Å; L664-M791 HydrophobicContact CD2-CB 3.8Å; L664-A792 HydrophobicContact CD1-CB 3.85Å; L664-A792 HydrophobicContact CD2-CB 4.03Å; L664-A792 HydrophobicContact CG-CB 3.95Å
665	Y	94.1	Very high	92.9	Very high	1 Å²	1	36 Å²	36	0%	0.004	18%	0.179	C	C	.	.	H	α-helix	trans	-58.6	-51	175.5	166.9	-95.3	0	0	0	111.3	T661 I662 R663 L667 F668 A669 I676 W678 D683 A684 L685	T661-Y665 WeakPolarHBondContact O-CB 3.48Å; T661-Y665 PolarHBondContact O-N 3.4Å; I662-Y665 PolarHBondContact O-N 2.91Å; R663-Y665 PolarHBondContact O-N 3.49Å; Y665-L667 VanDerWaalsContact C-N 3.26Å; Y665-L667 PolarHBondContact O-N 3.18Å; Y665-F668 PolarHBondContact O-N 3.05Å; Y665-F668 VanDerWaalsContact O-N 3.14Å; Y665-A669 HydrophobicContact CD2-CB 4.19Å; Y665-A669 HydrophobicContact CE1-CB 4.44Å; Y665-A669 HydrophobicContact CE2-CB 3.83Å; Y665-A669 WeakPolarHBondContact O-CB 3.49Å; Y665-A669 PolarHBondContact O-N 2.86Å; Y665-I676 WeakPolarHBondContact OH-CG2 3.35Å; Y665-W678 HydrophobicContact CD1-CH2 4.44Å; Y665-W678 AromaticContact CD1-CZ3 3.92Å; Y665-W678 HydrophobicContact CD1-CZ3 3.92Å; Y665-W678 AromaticContact CE1-CE3 3.74Å; Y665-W678 HydrophobicContact CE1-CE3 3.74Å; Y665-W678 HydrophobicContact CE1-CH2 4.16Å; Y665-W678 AromaticContact CE1-CZ3 3.35Å; Y665-W678 HydrophobicContact CE1-CZ3 3.35Å; Y665-D683 HydrophobicContact CE2-CB 3.72Å; Y665-D683 PolarHBondContact OH-OD1 3.12Å; Y665-D683 PolarHBondContact OH-OD2 3.07Å; Y665-A684 HydrophobicContact CD2-CB 4.16Å; Y665-A684 HydrophobicContact CE2-CB 4.23Å; Y665-L685 HydrophobicContact CD2-CB 3.98Å; Y665-L685 HydrophobicContact CD2-CD1 4.17Å; Y665-L685 HydrophobicContact CE2-CB 4.46Å; Y665-L685 HydrophobicContact CG-CD1 4.08Å
666	I	93.1	Very high	92.8	Very high	2 Å²	2	30.5 Å²	30.5	1%	0.01	15%	0.153	C	C	.	.	H	α-helix	trans	-56.3	-42.7	179.9	-76.2	173.2	0	0	0	111.7	M99 V102 R103 T106 I662 R663	M99-I666 HydrophobicContact CE-CD1 3.71Å; M99-I666 HydrophobicContact CE-CG1 4.2Å; V102-I666 HydrophobicContact CB-CD1 3.75Å; V102-I666 HydrophobicContact CG1-CD1 3.31Å; R103-I666 HydrophobicContact CB-CG2 3.98Å; R103-I666 HydrophobicContact CG-CG2 3.9Å; T106-I666 HydrophobicContact CG2-CG2 4.45Å; I662-I666 HydrophobicContact CG2-CD1 3.76Å; I662-I666 HydrophobicContact CG2-CG1 4.33Å; I662-I666 WeakPolarHBondContact O-CB 3.25Å; I662-I666 VanDerWaalsContact O-CG1 3.3Å; I662-I666 WeakPolarHBondContact O-CG1 3.29Å; I662-I666 PolarHBondContact O-N 2.61Å; R663-I666 PolarHBondContact O-N 3.27Å
667	L	95.6	Very high	92.7	Very high	5 Å²	5	29.4 Å²	29.4	3%	0.026	15%	0.15	C	C	.	.	H	α-helix	trans	-77.8	-24.1	-177.5	-65.1	177.7	0	0	0	113	T106 I107 T110 R663 L664 Y665 L749 N750 I753 M791	T106-L667 HydrophobicContact CG2-CD1 4Å; T106-L667 HydrophobicContact CG2-CD2 4.05Å; T106-L667 HydrophobicContact CG2-CG 3.88Å; I107-L667 HydrophobicContact CG1-CD2 3.81Å; T110-L667 HydrophobicContact CG2-CD1 4.15Å; T110-L667 WeakPolarHBondContact OG1-CD1 3.4Å; R663-L667 WeakPolarHBondContact O-CB 3.08Å; R663-L667 WeakPolarHBondContact O-CG 3.5Å; R663-L667 PolarHBondContact O-N 3.25Å; L664-L667 PolarHBondContact O-N 3.47Å; Y665-L667 VanDerWaalsContact C-N 3.26Å; Y665-L667 PolarHBondContact O-N 3.18Å; L667-L749 HydrophobicContact CB-CB 4.4Å; L667-L749 HydrophobicContact CD2-CB 4.31Å; L667-L749 HydrophobicContact CD2-CD1 3.54Å; L667-L749 CarbonylContact O-C 3.59Å; L667-N750 VanDerWaalsContact O-CA 3.22Å; L667-N750 WeakPolarHBondContact O-CA 3.47Å; L667-N750 WeakPolarHBondContact O-CB 3.35Å; L667-N750 PolarHBondContact O-N 3.14Å; L667-N750 VanDerWaalsContact O-N 3.08Å; L667-I753 HydrophobicContact CB-CD1 3.62Å; L667-M791 HydrophobicContact CD1-CB 3.91Å; L667-M791 HydrophobicContact CD1-CG 3.79Å
668	F	95.3	Very high	92.4	Very high	48 Å²	48	28.5 Å²	28.5	21%	0.211	15%	0.146	C	C	.	.	H	α-helix	trans	-100.4	-33.8	-173.7	-178.8	-120.4	0	0	0	114.1	L664 Y665 A670 A684 V688 N750 I753 S754 M757	L664-F668 WeakPolarHBondContact O-CB 3.44Å; L664-F668 PolarHBondContact O-N 3.17Å; Y665-F668 PolarHBondContact O-N 3.05Å; Y665-F668 VanDerWaalsContact O-N 3.14Å; F668-A670 VanDerWaalsContact C-N 3.25Å; F668-A670 PolarHBondContact O-N 3.15Å; F668-A684 HydrophobicContact CD1-CB 3.84Å; F668-A684 HydrophobicContact CE1-CB 4.13Å; F668-V688 HydrophobicContact CB-CG2 4.48Å; F668-V688 HydrophobicContact CD1-CG2 4.01Å; F668-N750 WeakPolarHBondContact O-CB 3.13Å; F668-I753 HydrophobicContact CB-CD1 3.85Å; F668-I753 HydrophobicContact CB-CG2 4.21Å; F668-I753 HydrophobicContact CD2-CB 3.92Å; F668-I753 HydrophobicContact CD2-CG2 3.56Å; F668-I753 HydrophobicContact CE2-CG2 4.17Å; F668-I753 HydrophobicContact CG-CG2 4Å; F668-S754 WeakPolarHBondContact CE2-OG 3.39Å; F668-M757 HydrophobicContact CD1-CE 4.27Å; F668-M757 HydrophobicContact CD2-CE 4.46Å; F668-M757 HydrophobicContact CE1-CE 4.07Å; F668-M757 HydrophobicContact CE1-SD 4.5Å; F668-M757 HydrophobicContact CE2-CE 4.25Å; F668-M757 HydrophobicContact CE2-SD 4.15Å; F668-M757 HydrophobicContact CG-CE 4.47Å; F668-M757 HydrophobicContact CZ-CE 4.06Å; F668-M757 HydrophobicContact CZ-SD 3.97Å
669	A	91.8	Very high	91.6	Very high	35 Å²	35	30.9 Å²	30.9	29%	0.289	16%	0.159	S	C	.	.	S	Bend	trans	-58.8	-35.6	-168.8	0	0	0	0	0	113.3	Y665 I676 A684	Y665-A669 HydrophobicContact CD2-CB 4.19Å; Y665-A669 HydrophobicContact CE1-CB 4.44Å; Y665-A669 HydrophobicContact CE2-CB 3.83Å; Y665-A669 WeakPolarHBondContact O-CB 3.49Å; Y665-A669 PolarHBondContact O-N 2.86Å; A669-I676 HydrophobicContact CB-CD1 4.02Å; A669-I676 HydrophobicContact CB-CG1 4.25Å; A669-I676 HydrophobicContact CB-CG2 4.41Å; A669-A684 HydrophobicContact CB-CB 4.15Å
670	A	90.4	Very high	90	Very high	14 Å²	14	33.2 Å²	33.2	12%	0.116	17%	0.174	C	C	.	.	S	Bend	trans	-153.6	158.9	174.2	0	0	0	0	0	110.6	F668 K674 I676	F668-A670 VanDerWaalsContact C-N 3.25Å; F668-A670 PolarHBondContact O-N 3.15Å; A670-K674 HydrophobicContact CB-CB 4.14Å; A670-I676 HydrophobicContact CB-CD1 4.37Å; A670-I676 HydrophobicContact CB-CG1 3.68Å
671	P	89.8	Confident	88.1	Confident	42 Å²	42	42.3 Å²	42.3	27%	0.273	21%	0.214	S	C	.	.			trans	-49.5	146.9	163.6	-24.2	32.9	0	0	0	111.3	R103 E673 K674 N750	R103-P671 PolarHBondContact NH2-O 3.29Å; P671-E673 PolarHBondContact O-N 3.06Å; P671-K674 HydrophobicContact CB-CG 4.44Å; P671-K674 HydrophobicContact CG-CD 4.23Å; P671-K674 HydrophobicContact CG-CG 4.46Å; P671-K674 PolarHBondContact O-N 2.69Å; P671-N750 WeakPolarHBondContact CA-OD1 3.45Å
672	P	87.6	Confident	86.3	Confident	9 Å²	9	47.8 Å²	47.8	6%	0.058	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.3	-35.7	-174	-25.8	31	0	0	0	114.2	R103 I107 L594 Q596 G597 F747	R103-P672 PolarHBondContact NH2-O 2.59Å; R103-P672 VanDerWaalsContact NH2-O 3.14Å; I107-P672 HydrophobicContact CD1-CB 4.23Å; L594-P672 HydrophobicContact CD1-CB 4.01Å; L594-P672 HydrophobicContact CD2-CB 4Å; L594-P672 HydrophobicContact CD2-CG 4.42Å; L594-P672 HydrophobicContact CG-CB 4.24Å; Q596-P672 CarbonylContact C-O 3.52Å; Q596-P672 VanDerWaalsContact CA-O 3.25Å; Q596-P672 WeakPolarHBondContact CA-O 3.48Å; G597-P672 PolarHBondContact N-O 3.09Å; P672-F747 WeakPolarHBondContact CG-O 3.35Å
673	E	88.3	Confident	84.8	Confident	112 Å²	112	49 Å²	49	52%	0.523	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.3	-18.9	-177.7	-56.2	-179.6	162.9	0	0	114.3	L594 A595 G597 P671	L594-E673 HydrophobicContact CD1-CG 4.34Å; A595-E673 WeakPolarHBondContact O-CA 3.4Å; G597-E673 VanDerWaalsContact CA-O 3.29Å; G597-E673 WeakPolarHBondContact CA-O 3.34Å; G597-E673 PolarHBondContact N-O 3.09Å; P671-E673 PolarHBondContact O-N 3.06Å
674	K	90.7	Very high	84.2	Confident	136 Å²	136	50.2 Å²	50.2	59%	0.591	26%	0.264	S	S	*	.	S	Bend	trans	-90.4	145.1	-176.4	-71.5	-165.3	178.9	-177.8	0	111.9	R103 A670 P671	R103-K674 PolarHBondContact NH1-O 3.16Å; R103-K674 PolarHBondContact NH2-O 3.32Å; A670-K674 HydrophobicContact CB-CB 4.14Å; P671-K674 HydrophobicContact CB-CG 4.44Å; P671-K674 HydrophobicContact CG-CD 4.23Å; P671-K674 HydrophobicContact CG-CG 4.46Å; P671-K674 PolarHBondContact O-N 2.69Å
675	D	90.9	Very high	83.8	Confident	54 Å²	54	50.8 Å²	50.8	29%	0.289	27%	0.267	S	S	.	.			trans	-63.7	146.4	173.6	-65	-18.1	0	0	0	111	L598 K600	L598-D675 PolarHBondContact N-OD1 3.49Å; L598-D675 CarbonylContact O-C 3.57Å; L598-D675 WeakPolarHBondContact O-CA 3.37Å; K600-D675 HydrophobicContact CD-CB 4.23Å; K600-D675 WeakPolarHBondContact CE-OD2 3.46Å; K600-D675 IonicContact NZ-OD2 2.77Å; K600-D675 PolarHBondContact NZ-OD2 3.36Å
676	I	89.4	Confident	83.6	Confident	6 Å²	6	53.3 Å²	53.3	3%	0.031	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	125.5	170.7	-67.7	166.9	0	0	0	107.2	R103 L598 I599 K600 Y665 A669 A670	R103-I676 VanDerWaalsContact CZ-CD1 3.48Å; L598-I676 PolarHBondContact O-N 2.89Å; I599-I676 HydrophobicContact CD1-CB 3.86Å; I599-I676 HydrophobicContact CD1-CD1 3.83Å; I599-I676 HydrophobicContact CD1-CG1 4.42Å; I599-I676 HydrophobicContact CD1-CG2 4Å; K600-I676 PolarHBondContact N-O 3.43Å; Y665-I676 WeakPolarHBondContact OH-CG2 3.35Å; A669-I676 HydrophobicContact CB-CD1 4.02Å; A669-I676 HydrophobicContact CB-CG1 4.25Å; A669-I676 HydrophobicContact CB-CG2 4.41Å; A670-I676 HydrophobicContact CB-CD1 4.37Å; A670-I676 HydrophobicContact CB-CG1 3.68Å
677	L	89.1	Confident	83.5	Confident	85 Å²	85	54.1 Å²	54.1	45%	0.445	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	116.7	169.3	-52.6	-174.7	0	0	0	107.2	K600 W637 D679	K600-L677 HydrophobicContact CB-CD2 3.88Å; K600-L677 HydrophobicContact CD-CD2 3.9Å; K600-L677 HydrophobicContact CG-CD2 4.46Å; W637-L677 HydrophobicContact CB-CD2 3.99Å; W637-L677 HydrophobicContact CD2-CB 4.28Å; W637-L677 HydrophobicContact CD2-CD2 4.23Å; W637-L677 HydrophobicContact CE3-CB 3.97Å; W637-L677 HydrophobicContact CE3-CD2 4.23Å; W637-L677 HydrophobicContact CG-CD2 4.15Å; W637-L677 HydrophobicContact CZ3-CB 4.1Å; L677-D679 PolarHBondContact O-N 3Å
678	W	85.7	Confident	83.5	Confident	30 Å²	30	53.9 Å²	53.9	11%	0.114	29%	0.291	C	S	.	.			trans	-79.4	99.8	-177.1	-175.8	-83.4	0	0	0	110.8	M99 I599 K600 W637 M640 V648 V653 Y665	M99-W678 HydrophobicContact CB-CE3 4.27Å; M99-W678 HydrophobicContact CB-CZ3 4.18Å; M99-W678 HydrophobicContact CE-CH2 3.67Å; M99-W678 HydrophobicContact CE-CZ3 3.57Å; M99-W678 HydrophobicContact CG-CD2 4.49Å; M99-W678 HydrophobicContact CG-CE3 4.09Å; M99-W678 HydrophobicContact CG-CH2 3.87Å; M99-W678 HydrophobicContact CG-CZ2 4.27Å; M99-W678 HydrophobicContact CG-CZ3 3.76Å; M99-W678 HydrophobicContact SD-CH2 4.07Å; M99-W678 HydrophobicContact SD-CZ3 4.28Å; I599-W678 HydrophobicContact CG2-CB 4.27Å; I599-W678 HydrophobicContact CG2-CE3 4.36Å; K600-W678 PolarHBondContact O-N 3.1Å; W637-W678 VanDerWaalsContact CH2-O 3.25Å; W637-W678 WeakPolarHBondContact CH2-O 3.43Å; W637-W678 WeakPolarHBondContact CZ3-O 3.33Å; M640-W678 HydrophobicContact CE-CB 3.47Å; M640-W678 VanDerWaalsContact CE-CB 3.47Å; M640-W678 HydrophobicContact CE-CD2 4.28Å; M640-W678 HydrophobicContact CE-CG 3.66Å; V648-W678 HydrophobicContact CG1-CZ2 4.14Å; V648-W678 HydrophobicContact CG2-CG 4.36Å; V653-W678 HydrophobicContact CG1-CH2 3.92Å; V653-W678 HydrophobicContact CG1-CZ2 3.97Å; V653-W678 HydrophobicContact CG2-CH2 4.19Å; V653-W678 HydrophobicContact CG2-CZ2 3.77Å; Y665-W678 HydrophobicContact CD1-CH2 4.44Å; Y665-W678 AromaticContact CD1-CZ3 3.92Å; Y665-W678 HydrophobicContact CD1-CZ3 3.92Å; Y665-W678 AromaticContact CE1-CE3 3.74Å; Y665-W678 HydrophobicContact CE1-CE3 3.74Å; Y665-W678 HydrophobicContact CE1-CH2 4.16Å; Y665-W678 AromaticContact CE1-CZ3 3.35Å; Y665-W678 HydrophobicContact CE1-CZ3 3.35Å
679	D	76.9	Confident	83.5	Confident	50 Å²	50	53.4 Å²	53.4	27%	0.267	29%	0.291	S	S	.	.			trans	-137	99.9	174.7	177.8	11.2	0	0	0	111.7	W637 L677 K681 T682 D683	W637-D679 HydrophobicContact CH2-CB 4.01Å; L677-D679 PolarHBondContact O-N 3Å; D679-K681 PolarHBondContact O-N 2.5Å; D679-K681 PolarHBondContact OD1-N 2.93Å; D679-T682 PolarHBondContact O-N 2.75Å; D679-T682 WeakPolarHBondContact OD2-CG2 3.45Å; D679-T682 PolarHBondContact OD2-OG1 3.2Å; D679-D683 VanDerWaalsContact C-CG 3.41Å; D679-D683 PolarHBondContact N-OD2 3.12Å; D679-D683 WeakPolarHBondContact O-CB 3.42Å; D679-D683 PolarHBondContact O-N 2.81Å; D679-D683 VanDerWaalsContact O-N 3.12Å
680	V	63.5	Low	83.6	Confident	62 Å²	62	58.8 Å²	58.8	38%	0.376	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.8	-22.8	-177.8	-168.5	0	0	0	0	113.4	Y657 D683	Y657-V680 VanDerWaalsContact OH-CG1 3.23Å; Y657-V680 WeakPolarHBondContact OH-CG1 3.21Å; V680-D683 PolarHBondContact N-OD2 3.07Å
681	K	55.8	Low	84	Confident	191 Å²	191	58.2 Å²	58.2	83%	0.83	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.8	-27.7	-177.5	-63.7	-176.1	-177.3	174.9	0	114.9	D679	D679-K681 PolarHBondContact O-N 2.5Å; D679-K681 PolarHBondContact OD1-N 2.93Å
682	T	57.9	Low	84.4	Confident	115 Å²	115	56.2 Å²	56.2	71%	0.706	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-114.5	3.6	-176.4	59.2	0	0	0	0	113.4	D679	D679-T682 PolarHBondContact O-N 2.75Å; D679-T682 WeakPolarHBondContact OD2-CG2 3.45Å; D679-T682 PolarHBondContact OD2-OG1 3.2Å
683	D	62.5	Low	84.8	Confident	29 Å²	29	60.7 Å²	60.7	16%	0.155	31%	0.306	C	S	.	.	S	Bend	trans	-76.4	165.4	-169.1	-97.8	-34.5	0	0	0	116.4	Y665 D679 V680 L685 P686	Y665-D683 HydrophobicContact CE2-CB 3.72Å; Y665-D683 PolarHBondContact OH-OD1 3.12Å; Y665-D683 PolarHBondContact OH-OD2 3.07Å; D679-D683 VanDerWaalsContact C-CG 3.41Å; D679-D683 PolarHBondContact N-OD2 3.12Å; D679-D683 WeakPolarHBondContact O-CB 3.42Å; D679-D683 PolarHBondContact O-N 2.81Å; D679-D683 VanDerWaalsContact O-N 3.12Å; V680-D683 PolarHBondContact N-OD2 3.07Å; D683-L685 HydrophobicContact CB-CB 4.31Å; D683-L685 PolarHBondContact O-N 3.17Å; D683-L685 VanDerWaalsContact O-N 3.09Å; D683-P686 WeakPolarHBondContact O-CD 3.35Å
684	A	83.1	Confident	85.2	Confident	27 Å²	27	58.6 Å²	58.6	22%	0.223	29%	0.293	C	S	.	.	S	Bend	trans	-63.7	-8.8	172.4	0	0	0	0	0	114.5	Y665 F668 A669 G687 V688	Y665-A684 HydrophobicContact CD2-CB 4.16Å; Y665-A684 HydrophobicContact CE2-CB 4.23Å; F668-A684 HydrophobicContact CD1-CB 3.84Å; F668-A684 HydrophobicContact CE1-CB 4.13Å; A669-A684 HydrophobicContact CB-CB 4.15Å; A684-G687 WeakPolarHBondContact O-CA 3.4Å; A684-G687 PolarHBondContact O-N 2.84Å; A684-G687 VanDerWaalsContact O-N 3.09Å; A684-V688 PolarHBondContact O-N 3.01Å
685	L	88.5	Confident	85.6	Confident	13 Å²	13	52.1 Å²	52.1	7%	0.068	27%	0.265	C	S	.	.	H	α-helix	trans	-59.2	-44.4	-172.5	-167.7	69.5	0	0	0	114.3	Y657 T661 Y665 D683 G687 V688 L689	Y657-L685 HydrophobicContact CD1-CD2 3.77Å; Y657-L685 HydrophobicContact CD1-CG 4.37Å; Y657-L685 HydrophobicContact CD2-CD2 4.07Å; Y657-L685 HydrophobicContact CE1-CD2 3.5Å; Y657-L685 HydrophobicContact CE1-CG 4.42Å; Y657-L685 HydrophobicContact CE2-CD2 3.83Å; Y657-L685 HydrophobicContact CG-CD2 4.04Å; T661-L685 HydrophobicContact CG2-CD1 3.68Å; Y665-L685 HydrophobicContact CD2-CB 3.98Å; Y665-L685 HydrophobicContact CD2-CD1 4.17Å; Y665-L685 HydrophobicContact CE2-CB 4.46Å; Y665-L685 HydrophobicContact CG-CD1 4.08Å; D683-L685 HydrophobicContact CB-CB 4.31Å; D683-L685 PolarHBondContact O-N 3.17Å; D683-L685 VanDerWaalsContact O-N 3.09Å; L685-G687 PolarHBondContact O-N 2.99Å; L685-V688 WeakPolarHBondContact O-CB 3.49Å; L685-V688 PolarHBondContact O-N 3.27Å; L685-L689 WeakPolarHBondContact O-CG 3.36Å; L685-L689 PolarHBondContact O-N 3.24Å
686	P	89.5	Confident	85.9	Confident	54 Å²	54	49.7 Å²	49.7	35%	0.351	25%	0.251	S	S	.	.	H	α-helix	trans	-62.3	-31.8	175.2	-22.7	36.5	0	0	0	112.8	D683 R690	D683-P686 WeakPolarHBondContact O-CD 3.35Å; P686-R690 WeakPolarHBondContact O-CG 3.37Å; P686-R690 PolarHBondContact O-N 2.69Å; P686-R690 PolarHBondContact O-NH1 3.03Å
687	G	92.1	Very high	86.2	Confident	19 Å²	19	51.4 Å²	51.4	20%	0.196	27%	0.266	C	S	.	.	H	α-helix	trans	-64.2	-45.7	174.4	0	0	0	0	0	112	A684 L685 R690 W691	A684-G687 WeakPolarHBondContact O-CA 3.4Å; A684-G687 PolarHBondContact O-N 2.84Å; A684-G687 VanDerWaalsContact O-N 3.09Å; L685-G687 PolarHBondContact O-N 2.99Å; G687-R690 PolarHBondContact O-N 2.96Å; G687-W691 PolarHBondContact O-N 3.1Å
688	V	95	Very high	86.6	Confident	0 Å²	0	47.4 Å²	47.4	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-59.9	-48.1	175.2	171.2	0	0	0	0	111.4	T661 L664 F668 A684 L685 R690 W691 Q692	T661-V688 HydrophobicContact CG2-CG1 4.03Å; L664-V688 HydrophobicContact CB-CB 4.48Å; L664-V688 HydrophobicContact CB-CG1 3.44Å; L664-V688 VanDerWaalsContact CB-CG1 3.44Å; L664-V688 HydrophobicContact CB-CG2 4.2Å; L664-V688 HydrophobicContact CD1-CG1 3.9Å; L664-V688 HydrophobicContact CG-CG1 4.34Å; F668-V688 HydrophobicContact CB-CG2 4.48Å; F668-V688 HydrophobicContact CD1-CG2 4.01Å; A684-V688 PolarHBondContact O-N 3.01Å; L685-V688 WeakPolarHBondContact O-CB 3.49Å; L685-V688 PolarHBondContact O-N 3.27Å; V688-R690 PolarHBondContact O-N 2.88Å; V688-W691 PolarHBondContact O-N 3.24Å; V688-W691 VanDerWaalsContact O-N 3.13Å; V688-Q692 PolarHBondContact O-N 3.19Å
689	L	94.7	Very high	87.1	Confident	39 Å²	39	46 Å²	46	20%	0.204	24%	0.24	C	C	.	.	H	α-helix	trans	-58.3	-46.2	178.7	-72	169.3	0	0	0	111.8	Y657 T661 L685 W691 Q692 Q693	Y657-L689 HydrophobicContact CD1-CD1 4.39Å; T661-L689 HydrophobicContact CG2-CD2 3.65Å; T661-L689 HydrophobicContact CG2-CG 4.05Å; L685-L689 WeakPolarHBondContact O-CG 3.36Å; L685-L689 PolarHBondContact O-N 3.24Å; L689-W691 VanDerWaalsContact C-N 3.32Å; L689-W691 PolarHBondContact O-N 2.67Å; L689-Q692 PolarHBondContact O-N 2.87Å; L689-Q693 WeakPolarHBondContact O-CG 3.21Å; L689-Q693 PolarHBondContact O-N 3.43Å; L689-Q693 VanDerWaalsContact O-N 3.11Å
690	R	95.1	Very high	88	Confident	148 Å²	148	44 Å²	44	56%	0.558	23%	0.23	S	C	*	.	H	α-helix	trans	-62.8	-38	176	-74.4	-171.2	-59.3	-92	4.4	112.1	P686 G687 V688 Q693 R694	P686-R690 WeakPolarHBondContact O-CG 3.37Å; P686-R690 PolarHBondContact O-N 2.69Å; P686-R690 PolarHBondContact O-NH1 3.03Å; G687-R690 PolarHBondContact O-N 2.96Å; V688-R690 PolarHBondContact O-N 2.88Å; R690-Q693 PolarHBondContact O-N 3.09Å; R690-R694 PolarHBondContact O-N 3.09Å
691	W	97.6	Very high	89.5	Confident	2 Å²	2	44.3 Å²	44.3	1%	0.008	22%	0.224	C	C	.	.	H	α-helix	trans	-68	-42.7	178.2	-178.1	54.4	0	0	0	112.1	L664 G687 V688 L689 Q693 R694 L695 I753 L756 M757 S760 A788	L664-W691 HydrophobicContact CD1-CE3 3.96Å; L664-W691 HydrophobicContact CD1-CZ3 3.79Å; L664-W691 HydrophobicContact CD2-CZ3 3.7Å; L664-W691 HydrophobicContact CG-CZ3 4.35Å; G687-W691 PolarHBondContact O-N 3.1Å; V688-W691 PolarHBondContact O-N 3.24Å; V688-W691 VanDerWaalsContact O-N 3.13Å; L689-W691 VanDerWaalsContact C-N 3.32Å; L689-W691 PolarHBondContact O-N 2.67Å; W691-Q693 VanDerWaalsContact C-N 3.32Å; W691-Q693 PolarHBondContact O-N 2.91Å; W691-R694 WeakPolarHBondContact O-CA 2.95Å; W691-R694 VanDerWaalsContact O-CB 3.28Å; W691-R694 WeakPolarHBondContact O-CB 3.34Å; W691-R694 PolarHBondContact O-N 2.97Å; W691-L695 HydrophobicContact CD2-CD1 4.3Å; W691-L695 HydrophobicContact CH2-CD1 4.37Å; W691-L695 HydrophobicContact CZ2-CD1 4.09Å; W691-L695 HydrophobicContact CZ2-CD2 4.2Å; W691-L695 WeakPolarHBondContact O-CG 3.34Å; W691-L695 PolarHBondContact O-N 3.49Å; W691-I753 HydrophobicContact CE3-CG2 4.35Å; W691-I753 HydrophobicContact CH2-CG2 4.41Å; W691-I753 HydrophobicContact CZ3-CG2 4.04Å; W691-L756 HydrophobicContact CH2-CB 4.22Å; W691-L756 HydrophobicContact CH2-CD1 4.43Å; W691-L756 HydrophobicContact CZ2-CB 3.71Å; W691-M757 HydrophobicContact CB-CE 3.78Å; W691-M757 HydrophobicContact CB-CG 4.27Å; W691-M757 HydrophobicContact CD2-CE 3.92Å; W691-M757 HydrophobicContact CD2-CG 3.7Å; W691-M757 HydrophobicContact CE3-CE 3.88Å; W691-M757 HydrophobicContact CE3-CG 4.4Å; W691-M757 HydrophobicContact CG-CE 3.9Å; W691-M757 HydrophobicContact CG-CG 3.6Å; W691-M757 HydrophobicContact CG-SD 4.42Å; W691-M757 HydrophobicContact CZ2-CG 4.47Å; W691-S760 PolarHBondContact NE1-OG 3.03Å; W691-A788 HydrophobicContact CH2-CB 4.39Å
692	Q	97.9	Very high	91.3	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-58.9	-43.5	173.9	-70.4	177.9	-58.4	0	0	112.1	Y51 T661 L664 V688 L689 R694 L695 W696 I795	Y51-Q692 HydrophobicContact CD1-CB 4.3Å; Y51-Q692 HydrophobicContact CE1-CB 3.82Å; T661-Q692 PolarHBondContact OG1-NE2 2.92Å; T661-Q692 PolarHBondContact OG1-OE1 2.94Å; L664-Q692 HydrophobicContact CD1-CG 3.87Å; V688-Q692 PolarHBondContact O-N 3.19Å; L689-Q692 PolarHBondContact O-N 2.87Å; Q692-R694 VanDerWaalsContact C-N 3.27Å; Q692-R694 PolarHBondContact O-N 3.42Å; Q692-L695 PolarHBondContact O-N 2.79Å; Q692-W696 PolarHBondContact O-N 2.86Å; Q692-W696 VanDerWaalsContact O-N 3.09Å; Q692-I795 HydrophobicContact CB-CD1 3.85Å; Q692-I795 HydrophobicContact CG-CD1 4.14Å
693	Q	96.9	Very high	93	Very high	103 Å²	103	31.2 Å²	31.2	48%	0.481	16%	0.158	S	C	.	.	H	α-helix	trans	-59.8	-38.4	173.2	-71.9	174.1	-18.3	0	0	112	Y51 L689 R690 W691 W696 A697	Y51-Q693 HydrophobicContact CD1-CG 4.45Å; L689-Q693 WeakPolarHBondContact O-CG 3.21Å; L689-Q693 PolarHBondContact O-N 3.43Å; L689-Q693 VanDerWaalsContact O-N 3.11Å; R690-Q693 PolarHBondContact O-N 3.09Å; W691-Q693 VanDerWaalsContact C-N 3.32Å; W691-Q693 PolarHBondContact O-N 2.91Å; Q693-W696 PolarHBondContact O-N 3.18Å; Q693-A697 WeakPolarHBondContact O-CB 3.25Å; Q693-A697 PolarHBondContact O-N 3.02Å
694	R	97.4	Very high	94.5	Very high	68 Å²	68	33.8 Å²	33.8	26%	0.257	17%	0.169	S	C	.	.	H	α-helix	trans	-64.2	-45.4	176	-168.9	-170.2	-60.9	149.8	-0.8	112.2	R690 W691 Q692 W696 A697 L698 M757 S760 S761 L764	R690-R694 PolarHBondContact O-N 3.09Å; W691-R694 WeakPolarHBondContact O-CA 2.95Å; W691-R694 VanDerWaalsContact O-CB 3.28Å; W691-R694 WeakPolarHBondContact O-CB 3.34Å; W691-R694 PolarHBondContact O-N 2.97Å; Q692-R694 VanDerWaalsContact C-N 3.27Å; Q692-R694 PolarHBondContact O-N 3.42Å; R694-W696 VanDerWaalsContact C-N 3.27Å; R694-W696 PolarHBondContact O-N 3.37Å; R694-A697 PolarHBondContact O-N 3.5Å; R694-L698 WeakPolarHBondContact O-CB 3.34Å; R694-L698 PolarHBondContact O-N 2.88Å; R694-M757 PolarHBondContact NH1-O 2.67Å; R694-M757 VanDerWaalsContact NH1-O 3.15Å; R694-S760 WeakPolarHBondContact CD-OG 3.2Å; R694-S760 PolarHBondContact NH1-OG 3.45Å; R694-S761 PolarHBondContact NH1-OG 3.4Å; R694-L764 HydrophobicContact CG-CD2 4.09Å
695	L	98.3	Very high	94.9	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-58.3	-43	176.7	-62	177.6	0	0	0	110.8	W691 Q692 T699 L784 M785 I799	W691-L695 HydrophobicContact CD2-CD1 4.3Å; W691-L695 HydrophobicContact CH2-CD1 4.37Å; W691-L695 HydrophobicContact CZ2-CD1 4.09Å; W691-L695 HydrophobicContact CZ2-CD2 4.2Å; W691-L695 WeakPolarHBondContact O-CG 3.34Å; W691-L695 PolarHBondContact O-N 3.49Å; Q692-L695 PolarHBondContact O-N 2.79Å; L695-T699 PolarHBondContact O-N 3.03Å; L695-T699 VanDerWaalsContact O-N 3.15Å; L695-T699 PolarHBondContact O-OG1 2.97Å; L695-L784 HydrophobicContact CD2-CD1 4.48Å; L695-L784 HydrophobicContact CD2-CD2 3.83Å; L695-L784 HydrophobicContact CD2-CG 4.22Å; L695-M785 HydrophobicContact CB-CE 4.28Å; L695-M785 HydrophobicContact CD2-CE 3.83Å; L695-I799 HydrophobicContact CB-CD1 3.96Å
696	W	97.4	Very high	94.9	Very high	3 Å²	3	32.4 Å²	32.4	1%	0.011	16%	0.158	C	C	.	.	H	α-helix	trans	-65.5	-43.9	176.7	-162.1	-91.1	0	0	0	112.9	W47 T48 Y51 T55 V59 Q692 Q693 R694 T699 T700 I795 E798 I799	W47-W696 AromaticContact CE2-CE2 3.98Å; W47-W696 HydrophobicContact CH2-CD2 4.11Å; W47-W696 AromaticContact CH2-CE2 3.93Å; W47-W696 AromaticContact CH2-CE3 3.99Å; W47-W696 HydrophobicContact CH2-CE3 3.99Å; W47-W696 AromaticContact CH2-CH2 3.55Å; W47-W696 HydrophobicContact CH2-CH2 3.55Å; W47-W696 AromaticContact CH2-CZ2 3.68Å; W47-W696 HydrophobicContact CH2-CZ2 3.68Å; W47-W696 AromaticContact CH2-CZ3 3.72Å; W47-W696 HydrophobicContact CH2-CZ3 3.72Å; W47-W696 AromaticContact CZ2-CD2 3.73Å; W47-W696 HydrophobicContact CZ2-CD2 3.73Å; W47-W696 AromaticContact CZ2-CE2 3.44Å; W47-W696 VanDerWaalsContact CZ2-CE2 3.44Å; W47-W696 HydrophobicContact CZ2-CE3 4.09Å; W47-W696 HydrophobicContact CZ2-CG 4.29Å; W47-W696 AromaticContact CZ2-CH2 3.95Å; W47-W696 HydrophobicContact CZ2-CH2 3.95Å; W47-W696 AromaticContact CZ2-CZ2 3.57Å; W47-W696 HydrophobicContact CZ2-CZ2 3.57Å; W47-W696 HydrophobicContact CZ2-CZ3 4.19Å; W47-W696 AromaticContact CZ2-NE1 3.81Å; W47-W696 HydrophobicContact CZ3-CH2 4.03Å; W47-W696 HydrophobicContact CZ3-CZ2 4.24Å; W47-W696 HydrophobicContact CZ3-CZ3 4.49Å; T48-W696 PolarHBondContact O-NE1 2.89Å; Y51-W696 HydrophobicContact CD2-CB 4.46Å; Y51-W696 AromaticContact CD2-CD2 3.55Å; Y51-W696 HydrophobicContact CD2-CD2 3.55Å; Y51-W696 AromaticContact CD2-CE3 3.5Å; Y51-W696 HydrophobicContact CD2-CE3 3.5Å; Y51-W696 HydrophobicContact CD2-CG 4Å; Y51-W696 HydrophobicContact CD2-CH2 4.41Å; Y51-W696 HydrophobicContact CD2-CZ2 4.45Å; Y51-W696 AromaticContact CD2-CZ3 3.96Å; Y51-W696 HydrophobicContact CD2-CZ3 3.96Å; Y51-W696 HydrophobicContact CE2-CD2 4.33Å; Y51-W696 AromaticContact CE2-CE3 3.81Å; Y51-W696 HydrophobicContact CE2-CE3 3.81Å; Y51-W696 HydrophobicContact CE2-CZ3 4Å; Y51-W696 HydrophobicContact CG-CB 4.1Å; Y51-W696 HydrophobicContact CG-CD2 4.04Å; Y51-W696 HydrophobicContact CG-CE3 4.28Å; Y51-W696 AromaticContact CG-CG 3.98Å; Y51-W696 HydrophobicContact CG-CG 3.98Å; T55-W696 HydrophobicContact CG2-CH2 4.43Å; T55-W696 HydrophobicContact CG2-CZ2 4.19Å; V59-W696 HydrophobicContact CG2-CH2 4.29Å; V59-W696 HydrophobicContact CG2-CZ3 4.42Å; Q692-W696 PolarHBondContact O-N 2.86Å; Q692-W696 VanDerWaalsContact O-N 3.09Å; Q693-W696 PolarHBondContact O-N 3.18Å; R694-W696 VanDerWaalsContact C-N 3.27Å; R694-W696 PolarHBondContact O-N 3.37Å; W696-T699 PolarHBondContact O-N 3.44Å; W696-T700 WeakPolarHBondContact O-CB 3.43Å; W696-T700 PolarHBondContact O-N 2.95Å; W696-T700 PolarHBondContact O-OG1 3.14Å; W696-I795 HydrophobicContact CE3-CG1 4.27Å; W696-E798 HydrophobicContact CH2-CG 3.64Å; W696-E798 HydrophobicContact CZ3-CB 4.31Å; W696-E798 HydrophobicContact CZ3-CG 3.84Å; W696-I799 HydrophobicContact CE3-CD1 4.31Å; W696-I799 HydrophobicContact CE3-CG1 3.92Å; W696-I799 HydrophobicContact CZ3-CG1 4.15Å
697	A	96.2	Very high	94.8	Very high	41 Å²	41	33.3 Å²	33.3	34%	0.339	17%	0.17	S	C	.	.	H	α-helix	trans	-64.9	-40.1	178.3	0	0	0	0	0	112.4	Q693 R694 T700 R701	Q693-A697 WeakPolarHBondContact O-CB 3.25Å; Q693-A697 PolarHBondContact O-N 3.02Å; R694-A697 PolarHBondContact O-N 3.5Å; A697-T700 PolarHBondContact O-N 3.3Å; A697-R701 WeakPolarHBondContact O-CG 3.35Å; A697-R701 PolarHBondContact O-N 3.32Å
698	L	96.8	Very high	94.2	Very high	1 Å²	1	35.8 Å²	35.8	1%	0.005	18%	0.184	C	C	.	.	H	α-helix	trans	-57.2	-50.9	173.4	-106.6	162.9	0	0	0	111.6	R694 T700 R701 F702 S760 L763 L764 F777 L781	R694-L698 WeakPolarHBondContact O-CB 3.34Å; R694-L698 PolarHBondContact O-N 2.88Å; L698-T700 VanDerWaalsContact C-N 3.34Å; L698-T700 PolarHBondContact O-N 2.99Å; L698-R701 PolarHBondContact O-N 3.16Å; L698-F702 PolarHBondContact O-N 2.86Å; L698-S760 VanDerWaalsContact CD1-O 3.26Å; L698-S760 WeakPolarHBondContact CD1-O 3.41Å; L698-L763 HydrophobicContact CD1-CB 3.99Å; L698-L763 HydrophobicContact CD2-CB 3.63Å; L698-L763 HydrophobicContact CG-CB 4.45Å; L698-L764 HydrophobicContact CG-CB 4.46Å; L698-L764 HydrophobicContact CG-CD1 4.08Å; L698-F777 HydrophobicContact CD2-CE2 4.44Å; L698-F777 HydrophobicContact CD2-CZ 3.95Å; L698-L781 HydrophobicContact CB-CD1 4.34Å; L698-L781 HydrophobicContact CD2-CD1 4.48Å
699	T	96.1	Very high	93.1	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-61	-44.4	178.2	-55.1	0	0	0	0	111.1	W47 L695 W696 R701 F702 I703 I799 L803	W47-T699 HydrophobicContact CH2-CG2 3.71Å; W47-T699 HydrophobicContact CZ2-CG2 3.64Å; W47-T699 HydrophobicContact CZ3-CG2 4.41Å; L695-T699 PolarHBondContact O-N 3.03Å; L695-T699 VanDerWaalsContact O-N 3.15Å; L695-T699 PolarHBondContact O-OG1 2.97Å; W696-T699 PolarHBondContact O-N 3.44Å; T699-R701 PolarHBondContact O-N 3.35Å; T699-F702 PolarHBondContact O-N 2.77Å; T699-I703 HydrophobicContact CG2-CD1 3.78Å; T699-I703 HydrophobicContact CG2-CG1 4.34Å; T699-I703 WeakPolarHBondContact O-CG1 3.21Å; T699-I703 PolarHBondContact O-N 2.63Å; T699-I799 HydrophobicContact CG2-CB 4.49Å; T699-I799 HydrophobicContact CG2-CG2 3.79Å; T699-I799 WeakPolarHBondContact OG1-CG2 3.31Å; T699-L803 HydrophobicContact CG2-CD2 3.96Å; T699-L803 HydrophobicContact CG2-CG 4.24Å
700	T	95.1	Very high	92.6	Very high	9 Å²	9	43.4 Å²	43.4	6%	0.055	23%	0.232	C	C	.	.	H	α-helix	trans	-57.6	-48.1	177.2	-56.7	0	0	0	0	111.2	W47 K49 W696 A697 L698 F702 I703 E704	W47-T700 PolarHBondContact NE1-OG1 3.48Å; K49-T700 HydrophobicContact CB-CG2 4.19Å; K49-T700 HydrophobicContact CG-CG2 4.03Å; W696-T700 WeakPolarHBondContact O-CB 3.43Å; W696-T700 PolarHBondContact O-N 2.95Å; W696-T700 PolarHBondContact O-OG1 3.14Å; A697-T700 PolarHBondContact O-N 3.3Å; L698-T700 VanDerWaalsContact C-N 3.34Å; L698-T700 PolarHBondContact O-N 2.99Å; T700-F702 VanDerWaalsContact C-N 3.32Å; T700-F702 PolarHBondContact O-N 3.48Å; T700-I703 PolarHBondContact O-N 3.42Å; T700-E704 HydrophobicContact CG2-CG 4.45Å; T700-E704 WeakPolarHBondContact O-CB 3.47Å; T700-E704 VanDerWaalsContact O-CG 3.3Å; T700-E704 WeakPolarHBondContact O-CG 3.48Å; T700-E704 PolarHBondContact O-N 2.84Å
701	R	95	Very high	92.2	Very high	69 Å²	69	37.9 Å²	37.9	26%	0.26	22%	0.218	S	C	.	.	H	α-helix	trans	-60.6	-40.9	177.9	-76.2	175.9	62.4	-170.5	-2.4	112.5	A697 L698 T699 A705 L764 A766	A697-R701 WeakPolarHBondContact O-CG 3.35Å; A697-R701 PolarHBondContact O-N 3.32Å; L698-R701 PolarHBondContact O-N 3.16Å; T699-R701 PolarHBondContact O-N 3.35Å; R701-A705 VanDerWaalsContact O-CB 3.32Å; R701-A705 WeakPolarHBondContact O-CB 3.41Å; R701-A705 PolarHBondContact O-N 3.31Å; R701-L764 PolarHBondContact NH1-O 3.27Å; R701-A766 PolarHBondContact NH2-O 3.45Å; R701-A766 VanDerWaalsContact NH2-O 3.11Å
702	F	95.3	Very high	91.9	Very high	4 Å²	4	38.6 Å²	38.6	2%	0.018	22%	0.223	C	C	.	.	H	α-helix	trans	-67.2	-47.3	178.2	-179.9	-108	0	0	0	112	L698 T699 T700 E704 A705 R706 I771 F777 E778 L781 L803 V806	L698-F702 PolarHBondContact O-N 2.86Å; T699-F702 PolarHBondContact O-N 2.77Å; T700-F702 VanDerWaalsContact C-N 3.32Å; T700-F702 PolarHBondContact O-N 3.48Å; F702-E704 VanDerWaalsContact C-N 3.33Å; F702-E704 PolarHBondContact O-N 3.17Å; F702-A705 PolarHBondContact O-N 3.24Å; F702-R706 HydrophobicContact CD2-CG 4.24Å; F702-R706 HydrophobicContact CE1-CG 4.24Å; F702-R706 HydrophobicContact CE2-CG 3.91Å; F702-R706 HydrophobicContact CZ-CG 3.91Å; F702-R706 WeakPolarHBondContact O-CB 3.45Å; F702-R706 VanDerWaalsContact O-CG 3.27Å; F702-R706 WeakPolarHBondContact O-CG 3.18Å; F702-R706 PolarHBondContact O-N 2.94Å; F702-I771 HydrophobicContact CB-CG2 4.41Å; F702-I771 HydrophobicContact CD2-CG2 4.03Å; F702-F777 HydrophobicContact CB-CE1 4.39Å; F702-F777 HydrophobicContact CD2-CD1 4.06Å; F702-F777 AromaticContact CD2-CE1 3.75Å; F702-F777 HydrophobicContact CD2-CE1 3.75Å; F702-F777 HydrophobicContact CE2-CD1 4.35Å; F702-F777 HydrophobicContact CE2-CE1 4.46Å; F702-F777 HydrophobicContact CG-CE1 4.36Å; F702-E778 HydrophobicContact CE2-CB 4.31Å; F702-E778 HydrophobicContact CE2-CG 4.36Å; F702-E778 HydrophobicContact CZ-CB 4.21Å; F702-E778 HydrophobicContact CZ-CG 3.76Å; F702-E778 WeakPolarHBondContact CZ-OE2 3.43Å; F702-L781 HydrophobicContact CB-CD2 3.83Å; F702-L781 HydrophobicContact CD1-CD2 4.01Å; F702-L781 HydrophobicContact CD2-CD2 4.44Å; F702-L781 HydrophobicContact CG-CD2 3.84Å; F702-L803 HydrophobicContact CD1-CD2 3.54Å; F702-L803 HydrophobicContact CE1-CD2 3.95Å; F702-V806 HydrophobicContact CD1-CG2 4.31Å; F702-V806 HydrophobicContact CE1-CB 4.4Å; F702-V806 HydrophobicContact CE1-CG1 4.05Å; F702-V806 HydrophobicContact CE1-CG2 4.11Å; F702-V806 HydrophobicContact CZ-CG1 4.43Å
703	I	93.3	Very high	91.7	Very high	27 Å²	27	42.4 Å²	42.4	14%	0.138	24%	0.241	C	C	.	.	H	α-helix	trans	-57.5	-47.4	175.9	-69.6	171.3	0	0	0	110.3	W47 T699 T700 R706 A707 V806	W47-I703 HydrophobicContact CB-CD1 4.45Å; W47-I703 HydrophobicContact CD2-CD1 3.47Å; W47-I703 VanDerWaalsContact CD2-CD1 3.47Å; W47-I703 HydrophobicContact CE3-CD1 3.68Å; W47-I703 HydrophobicContact CG-CD1 3.8Å; W47-I703 HydrophobicContact CZ2-CD1 4.35Å; W47-I703 HydrophobicContact CZ3-CD1 4.23Å; T699-I703 HydrophobicContact CG2-CD1 3.78Å; T699-I703 HydrophobicContact CG2-CG1 4.34Å; T699-I703 WeakPolarHBondContact O-CG1 3.21Å; T699-I703 PolarHBondContact O-N 2.63Å; T700-I703 PolarHBondContact O-N 3.42Å; I703-R706 PolarHBondContact O-N 2.55Å; I703-A707 WeakPolarHBondContact O-CB 3.2Å; I703-A707 PolarHBondContact O-N 2.85Å; I703-V806 HydrophobicContact CG1-CG2 3.87Å
704	E	92.4	Very high	91.5	Very high	82 Å²	82	39.8 Å²	39.8	38%	0.383	23%	0.233	S	C	.	.	H	α-helix	trans	-63.7	-43.5	179.3	-73.6	179.1	161	0	0	112.7	K49 T700 F702 R706 A707 S708	K49-E704 WeakPolarHBondContact CD-OE1 3.13Å; K49-E704 WeakPolarHBondContact CE-OE1 3.23Å; K49-E704 IonicContact NZ-OE1 2.74Å; K49-E704 PolarHBondContact NZ-OE1 3.4Å; T700-E704 HydrophobicContact CG2-CG 4.45Å; T700-E704 WeakPolarHBondContact O-CB 3.47Å; T700-E704 VanDerWaalsContact O-CG 3.3Å; T700-E704 WeakPolarHBondContact O-CG 3.48Å; T700-E704 PolarHBondContact O-N 2.84Å; F702-E704 VanDerWaalsContact C-N 3.33Å; F702-E704 PolarHBondContact O-N 3.17Å; E704-R706 VanDerWaalsContact C-N 3.28Å; E704-R706 PolarHBondContact O-N 3.33Å; E704-A707 PolarHBondContact O-N 2.93Å; E704-S708 PolarHBondContact O-N 3.31Å
705	A	92.1	Very high	91.3	Very high	3 Å²	3	42.9 Å²	42.9	3%	0.025	25%	0.25	C	S	.	.	H	α-helix	trans	-56.5	-47	176.3	0	0	0	0	0	110.6	R701 F702 S708 Q768 I771 L772	R701-A705 VanDerWaalsContact O-CB 3.32Å; R701-A705 WeakPolarHBondContact O-CB 3.41Å; R701-A705 PolarHBondContact O-N 3.31Å; F702-A705 PolarHBondContact O-N 3.24Å; A705-S708 WeakPolarHBondContact O-CB 3.36Å; A705-S708 PolarHBondContact O-N 2.9Å; A705-S708 PolarHBondContact O-OG 2.99Å; A705-Q768 VanDerWaalsContact CB-NE2 3.35Å; A705-I771 HydrophobicContact CB-CG2 3.77Å; A705-L772 HydrophobicContact CB-CD1 4.48Å; A705-L772 VanDerWaalsContact O-CD1 3.3Å; A705-L772 WeakPolarHBondContact O-CD1 3.32Å
706	R	89.8	Confident	91.1	Very high	8 Å²	8	46.6 Å²	46.6	3%	0.03	27%	0.27	C	S	.	.	H	α-helix	trans	-76.4	-28.8	-176.8	-68.8	-85.7	-169.1	-138.4	7.4	114.1	F702 I703 E704 S708 L772 E778 V806	F702-R706 HydrophobicContact CD2-CG 4.24Å; F702-R706 HydrophobicContact CE1-CG 4.24Å; F702-R706 HydrophobicContact CE2-CG 3.91Å; F702-R706 HydrophobicContact CZ-CG 3.91Å; F702-R706 WeakPolarHBondContact O-CB 3.45Å; F702-R706 VanDerWaalsContact O-CG 3.27Å; F702-R706 WeakPolarHBondContact O-CG 3.18Å; F702-R706 PolarHBondContact O-N 2.94Å; I703-R706 PolarHBondContact O-N 2.55Å; E704-R706 VanDerWaalsContact C-N 3.28Å; E704-R706 PolarHBondContact O-N 3.33Å; R706-S708 VanDerWaalsContact C-N 3.25Å; R706-S708 PolarHBondContact O-N 2.75Å; R706-L772 PolarHBondContact NH1-O 3.44Å; R706-E778 IonicContact CZ-OE2 2.88Å; R706-E778 IonicContact NE-OE2 2.81Å; R706-E778 IonicContact NH2-OE2 3.77Å; R706-E778 PolarHBondContact NH2-OE2 3.36Å; R706-V806 HydrophobicContact CB-CG1 3.4Å; R706-V806 HydrophobicContact CG-CG1 3.49Å; R706-V806 VanDerWaalsContact CG-CG1 3.49Å
707	A	85.8	Confident	91	Very high	73 Å²	73	46.9 Å²	46.9	60%	0.603	27%	0.271	S	S	*	.	H	α-helix	trans	-77.9	-8	175.8	0	0	0	0	0	113.3	I703 E704 G709	I703-A707 WeakPolarHBondContact O-CB 3.2Å; I703-A707 PolarHBondContact O-N 2.85Å; E704-A707 PolarHBondContact O-N 2.93Å; A707-G709 PolarHBondContact O-N 2.79Å
708	S	79.9	Confident	91	Very high	71 Å²	71	47.6 Å²	47.6	50%	0.497	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.9	-0.1	-178.7	71.6	0	0	0	0	115.7	E704 A705 R706 K710	E704-S708 PolarHBondContact O-N 3.31Å; A705-S708 WeakPolarHBondContact O-CB 3.36Å; A705-S708 PolarHBondContact O-N 2.9Å; A705-S708 PolarHBondContact O-OG 2.99Å; R706-S708 VanDerWaalsContact C-N 3.25Å; R706-S708 PolarHBondContact O-N 2.75Å; S708-K710 VanDerWaalsContact C-N 3.28Å; S708-K710 PolarHBondContact O-N 3.12Å
709	G	73.2	Confident	90.9	Very high	57 Å²	57	53.4 Å²	53.4	59%	0.588	31%	0.305	S	S	*	.	S	Bend	trans	86	-16.8	-179.5	0	0	0	0	0	114.8	A707 R808	A707-G709 PolarHBondContact O-N 2.79Å; G709-R808 PolarHBondContact O-NH1 2.84Å
710	K	82.5	Confident	90.9	Very high	142 Å²	142	61.9 Å²	61.9	62%	0.617	34%	0.342	S	S	*	.	P	Polyproline II helix	trans	-77.8	128.2	176.8	-65	-179.2	-179.4	178.8	0	111	S708 L772	S708-K710 VanDerWaalsContact C-N 3.28Å; S708-K710 PolarHBondContact O-N 3.12Å; K710-L772 HydrophobicContact CB-CD2 4.15Å; K710-L772 HydrophobicContact CD-CD2 4.39Å
711	A	86.8	Confident	91	Very high	32 Å²	32	62.7 Å²	62.7	26%	0.264	35%	0.345	S	S	.	.	P	Polyproline II helix	trans	-70.6	143	175.6	0	0	0	0	0	111.1	Q713 R808	A711-Q713 PolarHBondContact O-N 2.98Å; A711-R808 VanDerWaalsContact CA-NH1 3.28Å; A711-R808 VanDerWaalsContact CB-NH1 3.33Å
712	P	91.6	Very high	91	Very high	18 Å²	18	64.1 Å²	64.1	12%	0.117	35%	0.353	C	S	.	.	P	Polyproline II helix	trans	-53.7	138.4	161.3	6.3	-12.5	0	0	0	111	R808 L810	P712-R808 HydrophobicContact CG-CB 3.81Å; P712-R808 WeakPolarHBondContact CG-O 3.49Å; P712-L810 HydrophobicContact CB-CD1 3.87Å; P712-L810 HydrophobicContact CB-CD2 3.63Å; P712-L810 HydrophobicContact CB-CG 3.94Å; P712-L810 HydrophobicContact CG-CD2 3.92Å; P712-L810 HydrophobicContact CG-CG 4.22Å
713	Q	93.8	Very high	91	Very high	80 Å²	80	66.3 Å²	66.3	37%	0.374	37%	0.372	S	S	.	.			trans	-149.3	90.1	173.6	-69.3	-172	10.8	0	0	106.8	A711 Q715 L716 H773	A711-Q713 PolarHBondContact O-N 2.98Å; Q713-Q715 HydrophobicContact CB-CG 4.47Å; Q713-Q715 PolarHBondContact O-N 3.25Å; Q713-Q715 VanDerWaalsContact O-N 3.1Å; Q713-L716 HydrophobicContact CB-CB 4.46Å; Q713-L716 HydrophobicContact CB-CD1 3.73Å; Q713-L716 HydrophobicContact CB-CG 3.7Å; Q713-L716 HydrophobicContact CG-CD1 4.37Å; Q713-L716 WeakPolarHBondContact O-CB 3.44Å; Q713-L716 PolarHBondContact O-N 3.28Å; Q713-H773 PolarHBondContact N-ND1 3.47Å; Q713-H773 VanDerWaalsContact N-ND1 3.19Å
714	P	93.4	Very high	91.2	Very high	47 Å²	47	67.6 Å²	67.6	31%	0.305	38%	0.377	S	S	.	.	G	3₁₀ helix	trans	-53.2	-31.8	-177.1	-26.3	33.8	0	0	0	113.4	L716 L717 H773 L810	P714-L716 PolarHBondContact O-N 3Å; P714-L716 VanDerWaalsContact O-N 3.14Å; P714-L717 WeakPolarHBondContact O-CB 3.07Å; P714-L717 WeakPolarHBondContact O-CG 3.48Å; P714-L717 PolarHBondContact O-N 2.97Å; P714-L717 VanDerWaalsContact O-N 3.14Å; P714-H773 WeakPolarHBondContact CA-O 3.41Å; P714-H773 WeakPolarHBondContact CG-O 3.4Å; P714-L810 HydrophobicContact CG-CD1 4.37Å; P714-L810 HydrophobicContact CG-CD2 4.42Å
715	Q	93.8	Very high	91.4	Very high	133 Å²	133	63.7 Å²	63.7	62%	0.621	36%	0.359	S	S	*	.	G	3₁₀ helix	trans	-61.6	-18.2	176.5	65.4	-87.1	22.7	0	0	114.7	Q713 L717	Q713-Q715 HydrophobicContact CB-CG 4.47Å; Q713-Q715 PolarHBondContact O-N 3.25Å; Q713-Q715 VanDerWaalsContact O-N 3.1Å; Q715-L717 VanDerWaalsContact C-N 3.3Å
716	L	93.3	Very high	91.6	Very high	78 Å²	78	68 Å²	68	41%	0.408	38%	0.375	S	S	.	.	G	3₁₀ helix	trans	-81.5	-8.2	177.9	-63.9	-176.3	0	0	0	113.3	Q713 P714 S718 R769	Q713-L716 HydrophobicContact CB-CB 4.46Å; Q713-L716 HydrophobicContact CB-CD1 3.73Å; Q713-L716 HydrophobicContact CB-CG 3.7Å; Q713-L716 HydrophobicContact CG-CD1 4.37Å; Q713-L716 WeakPolarHBondContact O-CB 3.44Å; Q713-L716 PolarHBondContact O-N 3.28Å; P714-L716 PolarHBondContact O-N 3Å; P714-L716 VanDerWaalsContact O-N 3.14Å; L716-S718 PolarHBondContact O-N 2.88Å; L716-R769 PolarHBondContact O-NH2 3.25Å
717	L	95.1	Very high	91.9	Very high	9 Å²	9	74.3 Å²	74.3	5%	0.047	40%	0.402	C	S	.	.			trans	-68.6	131	177	-65.2	171.6	0	0	0	109.9	P714 Q715 E721 K722 R769 V770 H773	P714-L717 WeakPolarHBondContact O-CB 3.07Å; P714-L717 WeakPolarHBondContact O-CG 3.48Å; P714-L717 PolarHBondContact O-N 2.97Å; P714-L717 VanDerWaalsContact O-N 3.14Å; Q715-L717 VanDerWaalsContact C-N 3.3Å; L717-E721 HydrophobicContact CB-CB 4.15Å; L717-E721 HydrophobicContact CD2-CB 3.89Å; L717-K722 HydrophobicContact CB-CG 3.77Å; L717-K722 VanDerWaalsContact O-CE 3.22Å; L717-K722 WeakPolarHBondContact O-CE 3.44Å; L717-R769 HydrophobicContact CD2-CB 4.48Å; L717-V770 HydrophobicContact CD2-CG2 4.24Å; L717-H773 HydrophobicContact CD2-CB 3.9Å; L717-H773 HydrophobicContact CG-CB 4.04Å
718	S	96.1	Very high	92.5	Very high	56 Å²	56	71.4 Å²	71.4	39%	0.392	38%	0.377	S	S	.	.			trans	-66.3	162.8	167.6	62.6	0	0	0	0	110.7	L716 K720 E721 K722	L716-S718 PolarHBondContact O-N 2.88Å; S718-K720 PolarHBondContact O-N 2.95Å; S718-E721 PolarHBondContact N-OE2 3.12Å; S718-E721 PolarHBondContact O-N 2.92Å; S718-E721 VanDerWaalsContact OG-CG 3.25Å; S718-E721 WeakPolarHBondContact OG-CG 3.28Å; S718-E721 PolarHBondContact OG-N 2.82Å; S718-E721 PolarHBondContact OG-OE2 2.88Å; S718-K722 WeakPolarHBondContact O-CG 3.3Å; S718-K722 PolarHBondContact O-N 3.23Å
719	D	94.4	Very high	93.3	Very high	124 Å²	124	68.8 Å²	68.8	66%	0.663	36%	0.356	S	S	*	.	H	α-helix	trans	-61.2	-32.7	-178.8	-60.5	-31.2	0	0	0	112.7	K722 A723	D719-K722 PolarHBondContact O-N 3.12Å; D719-K722 IonicContact OD1-NZ 2.83Å; D719-K722 PolarHBondContact OD1-NZ 2.95Å; D719-A723 WeakPolarHBondContact O-CB 3.33Å; D719-A723 PolarHBondContact O-N 3.09Å
720	K	95.7	Very high	94.4	Very high	177 Å²	177	70.1 Å²	70.1	77%	0.77	35%	0.347	S	S	*	.	H	α-helix	trans	-63.5	-41.5	172.6	-175.1	179.9	176.9	-177.7	0	112	S718 A723 E724	S718-K720 PolarHBondContact O-N 2.95Å; K720-A723 PolarHBondContact O-N 2.88Å; K720-E724 PolarHBondContact O-N 2.84Å
721	E	97.5	Very high	95.1	Very high	27 Å²	27	67.4 Å²	67.4	13%	0.126	33%	0.333	C	S	.	.	H	α-helix	trans	-75.4	-33.8	179.8	-67	165.1	148.9	0	0	111.9	L717 S718 A723 E724 A725 R769 V770	L717-E721 HydrophobicContact CB-CB 4.15Å; L717-E721 HydrophobicContact CD2-CB 3.89Å; S718-E721 PolarHBondContact N-OE2 3.12Å; S718-E721 PolarHBondContact O-N 2.92Å; S718-E721 VanDerWaalsContact OG-CG 3.25Å; S718-E721 WeakPolarHBondContact OG-CG 3.28Å; S718-E721 PolarHBondContact OG-N 2.82Å; S718-E721 PolarHBondContact OG-OE2 2.88Å; E721-A723 VanDerWaalsContact C-N 3.35Å; E721-E724 WeakPolarHBondContact O-CB 3.41Å; E721-E724 PolarHBondContact O-N 3.37Å; E721-A725 WeakPolarHBondContact O-CB 3.44Å; E721-A725 PolarHBondContact O-N 2.99Å; E721-R769 WeakPolarHBondContact OE1-CB 3.44Å; E721-R769 WeakPolarHBondContact OE1-CD 3.47Å; E721-R769 IonicContact OE1-NE 3.79Å; E721-R769 PolarHBondContact OE1-NE 3.13Å; E721-R769 IonicContact OE2-NE 3.79Å; E721-R769 PolarHBondContact OE2-NE 2.88Å; E721-V770 HydrophobicContact CB-CG2 3.87Å; E721-V770 HydrophobicContact CG-CG2 4.35Å
722	K	96.4	Very high	95.6	Very high	99 Å²	99	66.3 Å²	66.3	43%	0.43	32%	0.323	S	S	.	.	H	α-helix	trans	-62.6	-42.6	169.4	-69.3	175.6	-173.8	158.1	0	111.1	L717 S718 D719 E724 A725 R726	L717-K722 HydrophobicContact CB-CG 3.77Å; L717-K722 VanDerWaalsContact O-CE 3.22Å; L717-K722 WeakPolarHBondContact O-CE 3.44Å; S718-K722 WeakPolarHBondContact O-CG 3.3Å; S718-K722 PolarHBondContact O-N 3.23Å; D719-K722 PolarHBondContact O-N 3.12Å; D719-K722 IonicContact OD1-NZ 2.83Å; D719-K722 PolarHBondContact OD1-NZ 2.95Å; K722-E724 VanDerWaalsContact C-N 3.33Å; K722-E724 PolarHBondContact O-N 2.99Å; K722-A725 PolarHBondContact O-N 3.35Å; K722-R726 WeakPolarHBondContact O-CB 3.22Å; K722-R726 PolarHBondContact O-N 3.23Å
723	A	94.4	Very high	95.9	Very high	50 Å²	50	65.5 Å²	65.5	41%	0.413	32%	0.317	S	S	.	.	H	α-helix	trans	-64.6	-37.2	175.2	0	0	0	0	0	112.1	D719 K720 E721 K727	D719-A723 WeakPolarHBondContact O-CB 3.33Å; D719-A723 PolarHBondContact O-N 3.09Å; K720-A723 PolarHBondContact O-N 2.88Å; E721-A723 VanDerWaalsContact C-N 3.35Å; A723-K727 WeakPolarHBondContact O-CG 3.3Å; A723-K727 PolarHBondContact O-N 3.43Å; A723-K727 VanDerWaalsContact O-N 3.1Å
724	E	97.2	Very high	96	Very high	53 Å²	53	63.4 Å²	63.4	25%	0.248	31%	0.312	C	S	.	.	H	α-helix	trans	-62.1	-48.9	171.9	-174.3	-171.4	162.1	0	0	111.5	K720 E721 K722 R726 K727 L728 A766 S767 V770	K720-E724 PolarHBondContact O-N 2.84Å; E721-E724 WeakPolarHBondContact O-CB 3.41Å; E721-E724 PolarHBondContact O-N 3.37Å; K722-E724 VanDerWaalsContact C-N 3.33Å; K722-E724 PolarHBondContact O-N 2.99Å; E724-R726 PolarHBondContact O-N 2.97Å; E724-K727 WeakPolarHBondContact O-CB 3.46Å; E724-K727 PolarHBondContact O-N 2.79Å; E724-L728 PolarHBondContact O-N 3.1Å; E724-L728 VanDerWaalsContact O-N 3.16Å; E724-A766 WeakPolarHBondContact OE1-CA 3.43Å; E724-S767 PolarHBondContact OE1-N 2.93Å; E724-S767 PolarHBondContact OE2-OG 3.34Å; E724-V770 HydrophobicContact CB-CG2 4.33Å; E724-V770 HydrophobicContact CG-CG2 4.32Å
725	A	97.3	Very high	96.3	Very high	1 Å²	1	61.2 Å²	61.2	1%	0.008	30%	0.297	C	S	.	.	H	α-helix	trans	-59.6	-43.8	176.3	0	0	0	0	0	112.4	E721 K722 K727 L728 W729 V770 S774 E776	E721-A725 WeakPolarHBondContact O-CB 3.44Å; E721-A725 PolarHBondContact O-N 2.99Å; K722-A725 PolarHBondContact O-N 3.35Å; A725-K727 PolarHBondContact O-N 3.25Å; A725-L728 WeakPolarHBondContact O-CB 3.48Å; A725-L728 PolarHBondContact O-N 3.39Å; A725-L728 VanDerWaalsContact O-N 3.13Å; A725-W729 PolarHBondContact O-N 3.39Å; A725-V770 HydrophobicContact CB-CG1 4.49Å; A725-S774 VanDerWaalsContact CB-OG 3.31Å; A725-S774 WeakPolarHBondContact CB-OG 3.35Å; A725-E776 HydrophobicContact CB-CB 4.25Å; A725-E776 HydrophobicContact CB-CG 4.38Å; A725-E776 WeakPolarHBondContact O-CB 3.47Å
726	R	95.9	Very high	96.5	Very high	92 Å²	92	55 Å²	55	35%	0.347	27%	0.268	S	S	.	.	H	α-helix	trans	-60.7	-42.2	176.5	-177	61.1	176.4	-160	-6.2	112	K722 E724 L728 W729 E730 E831	K722-R726 WeakPolarHBondContact O-CB 3.22Å; K722-R726 PolarHBondContact O-N 3.23Å; E724-R726 PolarHBondContact O-N 2.97Å; R726-L728 VanDerWaalsContact C-N 3.29Å; R726-L728 PolarHBondContact O-N 2.89Å; R726-W729 VanDerWaalsContact CZ-CE3 3.48Å; R726-W729 VanDerWaalsContact NH2-CZ3 3.29Å; R726-W729 WeakPolarHBondContact O-CB 3.2Å; R726-W729 PolarHBondContact O-N 3.49Å; R726-W729 VanDerWaalsContact O-N 3.14Å; R726-E730 IonicContact NE-OE1 3.46Å; R726-E730 WeakPolarHBondContact O-CG 3.49Å; R726-E730 PolarHBondContact O-N 3.21Å; R726-E831 IonicContact CZ-OE1 3.84Å; R726-E831 VanDerWaalsContact CZ-OE1 3.25Å; R726-E831 IonicContact NH1-OE1 3.76Å; R726-E831 PolarHBondContact NH1-OE1 2.96Å; R726-E831 IonicContact NH1-OE2 2.71Å; R726-E831 IonicContact NH2-OE1 3.78Å; R726-E831 PolarHBondContact NH2-OE1 3.43Å
727	K	95.9	Very high	96.6	Very high	141 Å²	141	53 Å²	53	61%	0.613	26%	0.263	S	S	*	.	H	α-helix	trans	-61.1	-37.1	174.9	-74.8	174.5	-178.5	-179.3	0	112.5	A723 E724 A725 E730 Y731	A723-K727 WeakPolarHBondContact O-CG 3.3Å; A723-K727 PolarHBondContact O-N 3.43Å; A723-K727 VanDerWaalsContact O-N 3.1Å; E724-K727 WeakPolarHBondContact O-CB 3.46Å; E724-K727 PolarHBondContact O-N 2.79Å; A725-K727 PolarHBondContact O-N 3.25Å; K727-E730 PolarHBondContact O-N 2.83Å; K727-Y731 VanDerWaalsContact O-CB 3.31Å; K727-Y731 WeakPolarHBondContact O-CB 3.38Å; K727-Y731 PolarHBondContact O-N 2.88Å
728	L	98	Very high	96.6	Very high	12 Å²	12	55.7 Å²	55.7	6%	0.063	28%	0.276	C	S	.	.	H	α-helix	trans	-66.2	-40	174.6	-68	174	0	0	0	111.5	E724 A725 R726 Y731 K732 A762 L763 A766 V770 F777	E724-L728 PolarHBondContact O-N 3.1Å; E724-L728 VanDerWaalsContact O-N 3.16Å; A725-L728 WeakPolarHBondContact O-CB 3.48Å; A725-L728 PolarHBondContact O-N 3.39Å; A725-L728 VanDerWaalsContact O-N 3.13Å; R726-L728 VanDerWaalsContact C-N 3.29Å; R726-L728 PolarHBondContact O-N 2.89Å; L728-Y731 PolarHBondContact O-N 2.84Å; L728-K732 VanDerWaalsContact O-CB 3.23Å; L728-K732 WeakPolarHBondContact O-CB 3.42Å; L728-K732 PolarHBondContact O-N 3.18Å; L728-A762 HydrophobicContact CD2-CB 4.17Å; L728-L763 HydrophobicContact CD1-CD2 4.16Å; L728-L763 HydrophobicContact CD2-CD2 4.08Å; L728-A766 HydrophobicContact CD1-CB 4.27Å; L728-V770 HydrophobicContact CD1-CG1 4.13Å; L728-F777 HydrophobicContact CD1-CB 4.46Å; L728-F777 HydrophobicContact CD1-CD2 3.91Å
729	W	97.6	Very high	96.7	Very high	17 Å²	17	53 Å²	53	6%	0.064	26%	0.257	C	S	.	.	H	α-helix	trans	-63.4	-45.3	173.5	170.9	94.8	0	0	0	112.2	A725 R726 Y731 K732 N733 E776 D829 E831 F832	A725-W729 PolarHBondContact O-N 3.39Å; R726-W729 VanDerWaalsContact CZ-CE3 3.48Å; R726-W729 VanDerWaalsContact NH2-CZ3 3.29Å; R726-W729 WeakPolarHBondContact O-CB 3.2Å; R726-W729 PolarHBondContact O-N 3.49Å; R726-W729 VanDerWaalsContact O-N 3.14Å; W729-Y731 VanDerWaalsContact C-N 3.34Å; W729-Y731 PolarHBondContact O-N 3.09Å; W729-K732 PolarHBondContact O-N 3.32Å; W729-N733 PolarHBondContact NE1-ND2 2.81Å; W729-N733 PolarHBondContact O-N 3.19Å; W729-N733 PolarHBondContact O-ND2 2.8Å; W729-E776 HydrophobicContact CB-CB 4.01Å; W729-E776 HydrophobicContact CB-CG 3.86Å; W729-D829 HydrophobicContact CZ2-CB 3.88Å; W729-D829 PolarHBondContact NE1-OD2 2.62Å; W729-E831 HydrophobicContact CH2-CB 4.21Å; W729-E831 HydrophobicContact CH2-CG 4.29Å; W729-E831 HydrophobicContact CZ2-CB 4.03Å; W729-E831 HydrophobicContact CZ2-CG 4.46Å; W729-F832 HydrophobicContact CH2-CB 3.67Å; W729-F832 HydrophobicContact CH2-CD2 4.29Å; W729-F832 HydrophobicContact CZ2-CB 3.97Å; W729-F832 HydrophobicContact CZ3-CB 4.32Å; W729-F832 HydrophobicContact CZ3-CD2 4.1Å
730	E	95.7	Very high	96.9	Very high	85 Å²	85	48.6 Å²	48.6	40%	0.397	24%	0.235	S	C	.	.	H	α-helix	trans	-59.5	-46.8	175.9	-71.6	170	-177.1	0	0	110.7	R726 K727 N733 S734 F832	R726-E730 IonicContact NE-OE1 3.46Å; R726-E730 WeakPolarHBondContact O-CG 3.49Å; R726-E730 PolarHBondContact O-N 3.21Å; K727-E730 PolarHBondContact O-N 2.83Å; E730-N733 PolarHBondContact O-N 3.35Å; E730-S734 PolarHBondContact O-N 2.95Å; E730-F832 HydrophobicContact CB-CE2 4.22Å; E730-F832 WeakPolarHBondContact O-CE2 3.36Å
731	Y	97.3	Very high	96.9	Very high	84 Å²	84	42.6 Å²	42.6	33%	0.329	21%	0.213	S	C	.	.	H	α-helix	trans	-67.2	-43.7	-179.1	-168.4	-146.3	0	0	0	111.7	K727 L728 W729 N733 S734 I735 L759 A762	K727-Y731 VanDerWaalsContact O-CB 3.31Å; K727-Y731 WeakPolarHBondContact O-CB 3.38Å; K727-Y731 PolarHBondContact O-N 2.88Å; L728-Y731 PolarHBondContact O-N 2.84Å; W729-Y731 VanDerWaalsContact C-N 3.34Å; W729-Y731 PolarHBondContact O-N 3.09Å; Y731-N733 VanDerWaalsContact C-N 3.35Å; Y731-N733 PolarHBondContact O-N 2.82Å; Y731-S734 PolarHBondContact O-N 3.24Å; Y731-I735 HydrophobicContact CD2-CD1 4.23Å; Y731-I735 HydrophobicContact CD2-CG1 3.83Å; Y731-I735 HydrophobicContact CE2-CD1 3.6Å; Y731-I735 HydrophobicContact CE2-CG1 3.7Å; Y731-I735 HydrophobicContact CG-CG1 4.35Å; Y731-I735 WeakPolarHBondContact O-CB 3.32Å; Y731-I735 WeakPolarHBondContact O-CG1 3.46Å; Y731-I735 PolarHBondContact O-N 3.49Å; Y731-L759 HydrophobicContact CD1-CD1 3.93Å; Y731-L759 HydrophobicContact CE1-CB 4.5Å; Y731-L759 HydrophobicContact CE1-CD1 4.43Å; Y731-A762 HydrophobicContact CD1-CB 3.81Å; Y731-A762 HydrophobicContact CE1-CB 3.78Å
732	K	98.1	Very high	96.8	Very high	10 Å²	10	42.7 Å²	42.7	4%	0.043	21%	0.213	C	C	.	.	H	α-helix	trans	-53.2	-50.4	173.5	177	-144.6	63.9	166.8	0	111.2	L728 W729 I735 I736 D779 A780 A783	L728-K732 VanDerWaalsContact O-CB 3.23Å; L728-K732 WeakPolarHBondContact O-CB 3.42Å; L728-K732 PolarHBondContact O-N 3.18Å; W729-K732 PolarHBondContact O-N 3.32Å; K732-I735 PolarHBondContact O-N 2.87Å; K732-I736 HydrophobicContact CD-CD1 4Å; K732-I736 HydrophobicContact CG-CD1 3.84Å; K732-I736 HydrophobicContact CG-CG1 4.46Å; K732-I736 VanDerWaalsContact O-CG1 3.3Å; K732-I736 WeakPolarHBondContact O-CG1 3.25Å; K732-I736 PolarHBondContact O-N 3.39Å; K732-D779 WeakPolarHBondContact CD-OD2 3.43Å; K732-D779 IonicContact NZ-OD2 3.46Å; K732-D779 PolarHBondContact NZ-OD2 2.67Å; K732-A780 HydrophobicContact CB-CB 3.92Å; K732-A780 HydrophobicContact CD-CB 4.22Å; K732-A780 HydrophobicContact CG-CB 4.04Å; K732-A783 HydrophobicContact CD-CB 4.08Å; K732-A783 HydrophobicContact CG-CB 4.04Å
733	N	97.8	Very high	96.8	Very high	0 Å²	0	38 Å²	38	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-63.8	-42.1	-178.8	-79.4	-58.8	0	0	0	112.8	W729 E730 Y731 I735 I736 A737 V828 D829 F832	W729-N733 PolarHBondContact NE1-ND2 2.81Å; W729-N733 PolarHBondContact O-N 3.19Å; W729-N733 PolarHBondContact O-ND2 2.8Å; E730-N733 PolarHBondContact O-N 3.35Å; Y731-N733 VanDerWaalsContact C-N 3.35Å; Y731-N733 PolarHBondContact O-N 2.82Å; N733-I735 VanDerWaalsContact C-N 3.31Å; N733-I735 PolarHBondContact O-N 2.95Å; N733-I736 PolarHBondContact O-N 3.42Å; N733-A737 PolarHBondContact O-N 3.42Å; N733-V828 HydrophobicContact CB-CG1 4.23Å; N733-D829 VanDerWaalsContact OD1-CB 3.31Å; N733-D829 WeakPolarHBondContact OD1-CB 3.48Å; N733-D829 PolarHBondContact OD1-N 2.82Å; N733-F832 HydrophobicContact CB-CB 3.83Å; N733-F832 HydrophobicContact CB-CD1 3.66Å; N733-F832 HydrophobicContact CB-CD2 3.74Å; N733-F832 HydrophobicContact CB-CE1 4.12Å; N733-F832 HydrophobicContact CB-CE2 4.2Å; N733-F832 HydrophobicContact CB-CG 3.44Å; N733-F832 VanDerWaalsContact CB-CG 3.44Å; N733-F832 HydrophobicContact CB-CZ 4.37Å
734	S	96	Very high	96.7	Very high	37 Å²	37	37.3 Å²	37.3	26%	0.259	18%	0.184	S	C	.	.	H	α-helix	trans	-59.3	-42.1	172.9	-177.1	0	0	0	0	112.2	E730 Y731 A737 Q738	E730-S734 PolarHBondContact O-N 2.95Å; Y731-S734 PolarHBondContact O-N 3.24Å; S734-A737 PolarHBondContact O-N 2.72Å; S734-Q738 WeakPolarHBondContact O-CG 3.42Å; S734-Q738 PolarHBondContact O-N 2.94Å; S734-Q738 PolarHBondContact O-NE2 2.81Å; S734-Q738 PolarHBondContact OG-NE2 3.46Å
735	I	97.9	Very high	96.3	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-70.3	-39.3	179	-64.2	-70.4	0	0	0	111.4	Y731 K732 N733 A737 Q738 V739 Q755 L756 L759 M787	Y731-I735 HydrophobicContact CD2-CD1 4.23Å; Y731-I735 HydrophobicContact CD2-CG1 3.83Å; Y731-I735 HydrophobicContact CE2-CD1 3.6Å; Y731-I735 HydrophobicContact CE2-CG1 3.7Å; Y731-I735 HydrophobicContact CG-CG1 4.35Å; Y731-I735 WeakPolarHBondContact O-CB 3.32Å; Y731-I735 WeakPolarHBondContact O-CG1 3.46Å; Y731-I735 PolarHBondContact O-N 3.49Å; K732-I735 PolarHBondContact O-N 2.87Å; N733-I735 VanDerWaalsContact C-N 3.31Å; N733-I735 PolarHBondContact O-N 2.95Å; I735-A737 VanDerWaalsContact C-N 3.32Å; I735-A737 PolarHBondContact O-N 3.24Å; I735-Q738 PolarHBondContact O-N 2.7Å; I735-V739 HydrophobicContact CG2-CG2 3.86Å; I735-V739 VanDerWaalsContact O-CB 3.29Å; I735-V739 WeakPolarHBondContact O-CB 3.14Å; I735-V739 WeakPolarHBondContact O-CG2 3.4Å; I735-V739 PolarHBondContact O-N 2.9Å; I735-Q755 HydrophobicContact CD1-CB 3.74Å; I735-Q755 HydrophobicContact CD1-CG 4.32Å; I735-Q755 HydrophobicContact CG2-CB 4.19Å; I735-L756 HydrophobicContact CG2-CD2 4.07Å; I735-L759 HydrophobicContact CB-CD2 4.47Å; I735-L759 HydrophobicContact CG1-CB 4.39Å; I735-L759 HydrophobicContact CG2-CB 4.38Å; I735-L759 HydrophobicContact CG2-CD2 4.15Å; I735-M787 HydrophobicContact CG2-CE 4.11Å
736	I	98.4	Very high	95.7	Very high	2 Å²	2	43.4 Å²	43.4	1%	0.01	21%	0.214	C	C	.	.	H	α-helix	trans	-57.2	-47.5	173.3	-70.7	162.6	0	0	0	110.1	K732 N733 T740 A783 M787 P826 V828	K732-I736 HydrophobicContact CD-CD1 4Å; K732-I736 HydrophobicContact CG-CD1 3.84Å; K732-I736 HydrophobicContact CG-CG1 4.46Å; K732-I736 VanDerWaalsContact O-CG1 3.3Å; K732-I736 WeakPolarHBondContact O-CG1 3.25Å; K732-I736 PolarHBondContact O-N 3.39Å; N733-I736 PolarHBondContact O-N 3.42Å; I736-T740 VanDerWaalsContact O-CB 3.25Å; I736-T740 WeakPolarHBondContact O-CB 3.25Å; I736-T740 PolarHBondContact O-N 2.99Å; I736-T740 PolarHBondContact O-OG1 3.39Å; I736-A783 HydrophobicContact CD1-CB 4.42Å; I736-M787 HydrophobicContact CB-SD 4.38Å; I736-M787 HydrophobicContact CG1-CE 3.89Å; I736-M787 HydrophobicContact CG1-SD 3.83Å; I736-P826 HydrophobicContact CD1-CB 3.86Å; I736-P826 HydrophobicContact CD1-CG 4.34Å; I736-P826 HydrophobicContact CG1-CB 4.15Å; I736-P826 HydrophobicContact CG1-CG 4.08Å; I736-P826 HydrophobicContact CG2-CG 4.48Å; I736-P826 WeakPolarHBondContact CG2-O 3.4Å; I736-V828 HydrophobicContact CB-CG2 4.32Å; I736-V828 HydrophobicContact CG2-CG2 3.86Å
737	A	96.1	Very high	95.5	Very high	37 Å²	37	39.4 Å²	39.4	31%	0.306	20%	0.199	S	C	.	.	H	α-helix	trans	-58.9	-54.2	177.9	0	0	0	0	0	111.2	N733 S734 I735 V739 T740 T741 V828	N733-A737 PolarHBondContact O-N 3.42Å; S734-A737 PolarHBondContact O-N 2.72Å; I735-A737 VanDerWaalsContact C-N 3.32Å; I735-A737 PolarHBondContact O-N 3.24Å; A737-V739 PolarHBondContact O-N 3.04Å; A737-T740 PolarHBondContact O-N 3.45Å; A737-T741 PolarHBondContact O-N 3.03Å; A737-T741 PolarHBondContact O-OG1 2.82Å; A737-V828 HydrophobicContact CB-CG2 3.83Å
738	Q	95.9	Very high	95.4	Very high	66 Å²	66	33.8 Å²	33.8	31%	0.308	18%	0.178	S	C	.	.	H	α-helix	trans	-62.6	-45.6	-177.2	-70.4	174.2	62.2	0	0	112.9	S734 I735 T741 H742 Q755	S734-Q738 WeakPolarHBondContact O-CG 3.42Å; S734-Q738 PolarHBondContact O-N 2.94Å; S734-Q738 PolarHBondContact O-NE2 2.81Å; S734-Q738 PolarHBondContact OG-NE2 3.46Å; I735-Q738 PolarHBondContact O-N 2.7Å; Q738-T741 PolarHBondContact O-N 3.41Å; Q738-H742 PolarHBondContact O-CD2 2.77Å; Q738-H742 PolarHBondContact O-N 2.83Å; Q738-Q755 HydrophobicContact CB-CG 4.41Å
739	V	98.2	Very high	95.3	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-64.3	-42.9	178.3	174	0	0	0	0	110	I735 A737 T741 H742 F743 A752 Q755 L756 M787 W825	I735-V739 HydrophobicContact CG2-CG2 3.86Å; I735-V739 VanDerWaalsContact O-CB 3.29Å; I735-V739 WeakPolarHBondContact O-CB 3.14Å; I735-V739 WeakPolarHBondContact O-CG2 3.4Å; I735-V739 PolarHBondContact O-N 2.9Å; A737-V739 PolarHBondContact O-N 3.04Å; V739-T741 PolarHBondContact O-N 3.36Å; V739-H742 PolarHBondContact O-N 3.49Å; V739-F743 HydrophobicContact CG1-CD2 3.98Å; V739-F743 HydrophobicContact CG1-CE2 3.94Å; V739-F743 WeakPolarHBondContact O-CD2 3.29Å; V739-F743 PolarHBondContact O-N 2.79Å; V739-F743 VanDerWaalsContact O-N 3.13Å; V739-A752 HydrophobicContact CG1-CB 4.16Å; V739-Q755 HydrophobicContact CG2-CB 3.89Å; V739-L756 HydrophobicContact CG2-CD2 3.94Å; V739-L756 HydrophobicContact CG2-CG 4.19Å; V739-M787 HydrophobicContact CB-SD 4.11Å; V739-M787 HydrophobicContact CG1-SD 4.21Å; V739-M787 HydrophobicContact CG2-SD 4.36Å; V739-W825 HydrophobicContact CG1-CH2 4.07Å; V739-W825 HydrophobicContact CG1-CZ2 3.83Å
740	T	97.8	Very high	95.2	Very high	31 Å²	31	33.6 Å²	33.6	19%	0.19	18%	0.178	C	C	.	.	H	α-helix	trans	-60.4	-46.5	177.4	-55.5	0	0	0	0	111	F114 I736 A737 H742 F743 T744 W825	F114-T740 HydrophobicContact CZ-CG2 4.36Å; I736-T740 VanDerWaalsContact O-CB 3.25Å; I736-T740 WeakPolarHBondContact O-CB 3.25Å; I736-T740 PolarHBondContact O-N 2.99Å; I736-T740 PolarHBondContact O-OG1 3.39Å; A737-T740 PolarHBondContact O-N 3.45Å; T740-H742 VanDerWaalsContact C-N 3.33Å; T740-H742 PolarHBondContact O-N 3.38Å; T740-F743 PolarHBondContact O-N 2.82Å; T740-T744 HydrophobicContact CG2-CG2 4.43Å; T740-T744 PolarHBondContact O-N 3.16Å; T740-T744 VanDerWaalsContact O-N 3.1Å; T740-T744 PolarHBondContact O-OG1 2.95Å; T740-T744 VanDerWaalsContact O-OG1 3.07Å; T740-W825 PolarHBondContact OG1-NE1 3.45Å
741	T	95.2	Very high	95.2	Very high	51 Å²	51	31.2 Å²	31.2	31%	0.313	17%	0.171	S	C	.	.	H	α-helix	trans	-55.5	-46.5	174.8	-67.3	0	0	0	0	111.7	A737 Q738 V739 F743 T744 E745	A737-T741 PolarHBondContact O-N 3.03Å; A737-T741 PolarHBondContact O-OG1 2.82Å; Q738-T741 PolarHBondContact O-N 3.41Å; V739-T741 PolarHBondContact O-N 3.36Å; T741-F743 PolarHBondContact O-N 3.07Å; T741-T744 PolarHBondContact O-N 2.74Å; T741-T744 VanDerWaalsContact O-N 3.13Å; T741-T744 PolarHBondContact O-OG1 2.79Å; T741-E745 HydrophobicContact CG2-CB 4.37Å; T741-E745 HydrophobicContact CG2-CG 4.3Å; T741-E745 WeakPolarHBondContact O-CB 3.27Å; T741-E745 PolarHBondContact O-N 3.08Å
742	H	95.3	Very high	95.2	Very high	28 Å²	28	27.2 Å²	27.2	13%	0.13	16%	0.155	C	C	.	.	H	α-helix	trans	-62.9	-25.8	178.1	-71.5	-45.3	0	0	0	113.9	Q738 V739 T740 D746 F747 S748 S751 A752	Q738-H742 PolarHBondContact O-CD2 2.77Å; Q738-H742 PolarHBondContact O-N 2.83Å; V739-H742 PolarHBondContact O-N 3.49Å; T740-H742 VanDerWaalsContact C-N 3.33Å; T740-H742 PolarHBondContact O-N 3.38Å; H742-D746 VanDerWaalsContact CA-OD1 3.28Å; H742-D746 WeakPolarHBondContact CA-OD1 3.49Å; H742-D746 IonicContact CE1-OD2 3.63Å; H742-D746 IonicContact CG-OD1 2.79Å; H742-D746 IonicContact ND1-OD1 3.7Å; H742-D746 PolarHBondContact ND1-OD1 2.98Å; H742-D746 IonicContact ND1-OD2 2.76Å; H742-D746 PolarHBondContact ND1-OD2 2.95Å; H742-D746 VanDerWaalsContact ND1-OD2 3.12Å; H742-F747 CarbonylContact O-C 3.56Å; H742-F747 WeakPolarHBondContact O-CA 3.2Å; H742-F747 PolarHBondContact O-N 3.22Å; H742-S748 PolarHBondContact O-N 3.26Å; H742-S751 WeakPolarHBondContact NE2-CB 3.49Å; H742-A752 HydrophobicContact CB-CB 4.11Å
743	F	96.3	Very high	95.2	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-86.2	-21.9	176.2	-89.6	-100.3	0	0	0	113.6	T110 F114 V739 T740 T741 F747 L749 A752 P790 M791 W825	T110-F743 HydrophobicContact CG2-CE1 3.59Å; T110-F743 HydrophobicContact CG2-CZ 3.92Å; F114-F743 HydrophobicContact CB-CD1 3.52Å; F114-F743 HydrophobicContact CB-CE1 3.66Å; F114-F743 HydrophobicContact CB-CG 4.5Å; F114-F743 HydrophobicContact CD1-CB 3.79Å; F114-F743 AromaticContact CD1-CD1 3.68Å; F114-F743 HydrophobicContact CD1-CD1 3.68Å; F114-F743 HydrophobicContact CD1-CG 4.12Å; F114-F743 HydrophobicContact CD2-CB 3.98Å; F114-F743 AromaticContact CD2-CD1 3.71Å; F114-F743 HydrophobicContact CD2-CD1 3.71Å; F114-F743 HydrophobicContact CD2-CE1 4.27Å; F114-F743 AromaticContact CD2-CG 3.86Å; F114-F743 HydrophobicContact CD2-CG 3.86Å; F114-F743 HydrophobicContact CE1-CB 3.5Å; F114-F743 HydrophobicContact CE1-CD1 4.29Å; F114-F743 HydrophobicContact CE1-CG 4.29Å; F114-F743 HydrophobicContact CE2-CB 3.68Å; F114-F743 HydrophobicContact CE2-CD1 4.3Å; F114-F743 HydrophobicContact CE2-CG 4.02Å; F114-F743 HydrophobicContact CG-CB 4.02Å; F114-F743 AromaticContact CG-CD1 3.34Å; F114-F743 HydrophobicContact CG-CD1 3.34Å; F114-F743 AromaticContact CG-CE1 3.96Å; F114-F743 HydrophobicContact CG-CE1 3.96Å; F114-F743 AromaticContact CG-CG 3.9Å; F114-F743 HydrophobicContact CG-CG 3.9Å; F114-F743 HydrophobicContact CZ-CB 3.41Å; F114-F743 VanDerWaalsContact CZ-CB 3.41Å; F114-F743 HydrophobicContact CZ-CG 4.22Å; V739-F743 HydrophobicContact CG1-CD2 3.98Å; V739-F743 HydrophobicContact CG1-CE2 3.94Å; V739-F743 WeakPolarHBondContact O-CD2 3.29Å; V739-F743 PolarHBondContact O-N 2.79Å; V739-F743 VanDerWaalsContact O-N 3.13Å; T740-F743 PolarHBondContact O-N 2.82Å; T741-F743 PolarHBondContact O-N 3.07Å; F743-F747 WeakPolarHBondContact O-CD1 3.3Å; F743-F747 WeakPolarHBondContact O-CE1 3.32Å; F743-L749 HydrophobicContact CD1-CD2 3.88Å; F743-L749 HydrophobicContact CD2-CD2 4.03Å; F743-L749 HydrophobicContact CE1-CD2 3.7Å; F743-L749 HydrophobicContact CE2-CD2 3.85Å; F743-L749 HydrophobicContact CG-CD2 4.07Å; F743-L749 HydrophobicContact CZ-CD2 3.68Å; F743-A752 HydrophobicContact CD2-CB 4.25Å; F743-A752 HydrophobicContact CE2-CB 3.9Å; F743-P790 HydrophobicContact CE1-CB 4.4Å; F743-M791 HydrophobicContact CE2-CE 4.11Å; F743-M791 HydrophobicContact CE2-SD 4.35Å; F743-M791 HydrophobicContact CZ-CE 3.99Å; F743-M791 HydrophobicContact CZ-CG 4.13Å; F743-M791 HydrophobicContact CZ-SD 4.02Å; F743-W825 HydrophobicContact CE2-CH2 4.48Å
744	T	93.1	Very high	95.2	Very high	37 Å²	37	29.4 Å²	29.4	23%	0.227	17%	0.171	C	C	.	.	H	α-helix	trans	-105.9	-30	-173.6	54.4	0	0	0	0	114.7	F114 K592 T740 T741	F114-T744 HydrophobicContact CE1-CG2 3.81Å; F114-T744 HydrophobicContact CZ-CG2 3.73Å; K592-T744 PolarHBondContact NZ-O 3.05Å; T740-T744 HydrophobicContact CG2-CG2 4.43Å; T740-T744 PolarHBondContact O-N 3.16Å; T740-T744 VanDerWaalsContact O-N 3.1Å; T740-T744 PolarHBondContact O-OG1 2.95Å; T740-T744 VanDerWaalsContact O-OG1 3.07Å; T741-T744 PolarHBondContact O-N 2.74Å; T741-T744 VanDerWaalsContact O-N 3.13Å; T741-T744 PolarHBondContact O-OG1 2.79Å
745	E	87.9	Confident	95.3	Very high	111 Å²	111	29.9 Å²	29.9	52%	0.519	17%	0.17	S	C	.	.	T	Hydrogen-bonded Turn	trans	-104.5	-68.4	-173.1	-64	-178.7	-164.4	0	0	111.4	T741	T741-E745 HydrophobicContact CG2-CB 4.37Å; T741-E745 HydrophobicContact CG2-CG 4.3Å; T741-E745 WeakPolarHBondContact O-CB 3.27Å; T741-E745 PolarHBondContact O-N 3.08Å
746	D	84.9	Confident	95.4	Very high	70 Å²	70	29.9 Å²	29.9	37%	0.374	17%	0.17	S	C	.	.	S	Bend	trans	-101.6	-6.8	-168.9	65.5	21.8	0	0	0	114.8	H742 S748	H742-D746 VanDerWaalsContact CA-OD1 3.28Å; H742-D746 WeakPolarHBondContact CA-OD1 3.49Å; H742-D746 IonicContact CE1-OD2 3.63Å; H742-D746 IonicContact CG-OD1 2.79Å; H742-D746 IonicContact ND1-OD1 3.7Å; H742-D746 PolarHBondContact ND1-OD1 2.98Å; H742-D746 IonicContact ND1-OD2 2.76Å; H742-D746 PolarHBondContact ND1-OD2 2.95Å; H742-D746 VanDerWaalsContact ND1-OD2 3.12Å; D746-S748 VanDerWaalsContact CG-OG 3.26Å; D746-S748 PolarHBondContact O-N 2.89Å; D746-S748 VanDerWaalsContact O-N 3.11Å; D746-S748 WeakPolarHBondContact OD1-CB 3.34Å; D746-S748 PolarHBondContact OD1-N 3.26Å; D746-S748 PolarHBondContact OD1-OG 2.91Å; D746-S748 PolarHBondContact OD2-OG 2.89Å
747	F	93	Very high	95.4	Very high	8 Å²	8	31.1 Å²	31.1	4%	0.035	18%	0.176	C	C	.	.			trans	53.4	26	-174.5	-52.7	-69.6	0	0	0	114	I111 L556 K592 L594 P672 H742 F743 L749	I111-F747 HydrophobicContact CD1-CD1 3.67Å; I111-F747 HydrophobicContact CD1-CE1 4.16Å; I111-F747 HydrophobicContact CD1-CG 4.4Å; I111-F747 HydrophobicContact CG1-CD1 4.47Å; L556-F747 HydrophobicContact CD1-CD2 4.19Å; L556-F747 HydrophobicContact CD1-CE1 4.4Å; L556-F747 HydrophobicContact CD1-CE2 3.57Å; L556-F747 HydrophobicContact CD1-CZ 3.69Å; L556-F747 HydrophobicContact CD2-CD1 4.03Å; L556-F747 HydrophobicContact CD2-CE1 3.63Å; L556-F747 HydrophobicContact CD2-CE2 4.28Å; L556-F747 HydrophobicContact CD2-CZ 3.77Å; L556-F747 HydrophobicContact CG-CZ 4.23Å; K592-F747 HydrophobicContact CD-CE2 4.09Å; K592-F747 HydrophobicContact CD-CZ 4.14Å; L594-F747 HydrophobicContact CD1-CB 4.23Å; L594-F747 HydrophobicContact CD1-CD2 4.44Å; L594-F747 HydrophobicContact CD2-CB 4.02Å; L594-F747 HydrophobicContact CD2-CG 4.42Å; P672-F747 WeakPolarHBondContact CG-O 3.35Å; H742-F747 CarbonylContact O-C 3.56Å; H742-F747 WeakPolarHBondContact O-CA 3.2Å; H742-F747 PolarHBondContact O-N 3.22Å; F743-F747 WeakPolarHBondContact O-CD1 3.3Å; F743-F747 WeakPolarHBondContact O-CE1 3.32Å; F747-L749 WeakPolarHBondContact O-CG 3.23Å; F747-L749 PolarHBondContact O-N 2.71Å
748	S	93	Very high	95.4	Very high	23 Å²	23	30.4 Å²	30.4	16%	0.161	17%	0.172	C	C	.	.			trans	-75.2	69.1	-179.7	-66.6	0	0	0	0	111.9	H742 D746 N750 S751 A752	H742-S748 PolarHBondContact O-N 3.26Å; D746-S748 VanDerWaalsContact CG-OG 3.26Å; D746-S748 PolarHBondContact O-N 2.89Å; D746-S748 VanDerWaalsContact O-N 3.11Å; D746-S748 WeakPolarHBondContact OD1-CB 3.34Å; D746-S748 PolarHBondContact OD1-N 3.26Å; D746-S748 PolarHBondContact OD1-OG 2.91Å; D746-S748 PolarHBondContact OD2-OG 2.89Å; S748-N750 PolarHBondContact O-N 3.06Å; S748-S751 WeakPolarHBondContact O-CA 3.47Å; S748-S751 WeakPolarHBondContact O-CB 3.5Å; S748-S751 PolarHBondContact O-N 2.84Å; S748-A752 PolarHBondContact O-N 2.83Å
749	L	96.1	Very high	95.6	Very high	1 Å²	1	27.2 Å²	27.2	1%	0.005	16%	0.157	C	C	.	.	H	α-helix	trans	-62	-27.2	-176.6	-59.4	179.4	0	0	0	112.8	I107 T110 L667 F743 F747 A752 I753	I107-L749 HydrophobicContact CG1-CD1 4.49Å; I107-L749 HydrophobicContact CG2-CD1 4.16Å; T110-L749 HydrophobicContact CG2-CD1 4.06Å; T110-L749 HydrophobicContact CG2-CD2 4.39Å; L667-L749 HydrophobicContact CB-CB 4.4Å; L667-L749 HydrophobicContact CD2-CB 4.31Å; L667-L749 HydrophobicContact CD2-CD1 3.54Å; L667-L749 CarbonylContact O-C 3.59Å; F743-L749 HydrophobicContact CD1-CD2 3.88Å; F743-L749 HydrophobicContact CD2-CD2 4.03Å; F743-L749 HydrophobicContact CE1-CD2 3.7Å; F743-L749 HydrophobicContact CE2-CD2 3.85Å; F743-L749 HydrophobicContact CG-CD2 4.07Å; F743-L749 HydrophobicContact CZ-CD2 3.68Å; F747-L749 WeakPolarHBondContact O-CG 3.23Å; F747-L749 PolarHBondContact O-N 2.71Å; L749-A752 PolarHBondContact O-N 3.01Å; L749-I753 WeakPolarHBondContact O-CG1 3.21Å; L749-I753 PolarHBondContact O-N 3.29Å
750	N	95.3	Very high	95.6	Very high	25 Å²	25	27.2 Å²	27.2	13%	0.134	16%	0.157	C	C	.	.	H	α-helix	trans	-66.4	-39.6	172.8	64.9	-61.5	0	0	0	112	L667 F668 P671 S748 I753 S754	L667-N750 VanDerWaalsContact O-CA 3.22Å; L667-N750 WeakPolarHBondContact O-CA 3.47Å; L667-N750 WeakPolarHBondContact O-CB 3.35Å; L667-N750 PolarHBondContact O-N 3.14Å; L667-N750 VanDerWaalsContact O-N 3.08Å; F668-N750 WeakPolarHBondContact O-CB 3.13Å; P671-N750 WeakPolarHBondContact CA-OD1 3.45Å; S748-N750 PolarHBondContact O-N 3.06Å; N750-I753 PolarHBondContact O-N 3.02Å; N750-S754 PolarHBondContact O-N 3Å; N750-S754 PolarHBondContact O-OG 3.17Å
751	S	95.9	Very high	95.6	Very high	35 Å²	35	27.6 Å²	27.6	25%	0.245	16%	0.161	C	C	.	.	H	α-helix	trans	-69.3	-43.3	175.5	-59.4	0	0	0	0	110.1	H742 S748 I753 S754 Q755	H742-S751 WeakPolarHBondContact NE2-CB 3.49Å; S748-S751 WeakPolarHBondContact O-CA 3.47Å; S748-S751 WeakPolarHBondContact O-CB 3.5Å; S748-S751 PolarHBondContact O-N 2.84Å; S751-I753 VanDerWaalsContact C-N 3.35Å; S751-I753 PolarHBondContact O-N 3.16Å; S751-S754 WeakPolarHBondContact O-CA 3.48Å; S751-S754 WeakPolarHBondContact O-CB 3.38Å; S751-S754 PolarHBondContact O-N 3.2Å; S751-S754 VanDerWaalsContact O-N 3.07Å; S751-Q755 WeakPolarHBondContact O-CG 3.31Å; S751-Q755 PolarHBondContact O-N 3.02Å
752	A	97.8	Very high	95.7	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-54.1	-48.6	172.5	0	0	0	0	0	112.1	V739 H742 F743 S748 L749 S754 Q755 L756	V739-A752 HydrophobicContact CG1-CB 4.16Å; H742-A752 HydrophobicContact CB-CB 4.11Å; F743-A752 HydrophobicContact CD2-CB 4.25Å; F743-A752 HydrophobicContact CE2-CB 3.9Å; S748-A752 PolarHBondContact O-N 2.83Å; L749-A752 PolarHBondContact O-N 3.01Å; A752-S754 VanDerWaalsContact C-N 3.32Å; A752-S754 PolarHBondContact O-N 3.23Å; A752-Q755 PolarHBondContact O-N 2.75Å; A752-L756 WeakPolarHBondContact O-CG 3.44Å; A752-L756 PolarHBondContact O-N 3.2Å; A752-L756 VanDerWaalsContact O-N 3.07Å
753	I	98.2	Very high	95.8	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-61	-41.4	176.1	-69.4	169.4	0	0	0	111.2	L664 L667 F668 W691 L749 N750 S751 Q755 L756 M757 M791	L664-I753 HydrophobicContact CD2-CD1 4.08Å; L667-I753 HydrophobicContact CB-CD1 3.62Å; F668-I753 HydrophobicContact CB-CD1 3.85Å; F668-I753 HydrophobicContact CB-CG2 4.21Å; F668-I753 HydrophobicContact CD2-CB 3.92Å; F668-I753 HydrophobicContact CD2-CG2 3.56Å; F668-I753 HydrophobicContact CE2-CG2 4.17Å; F668-I753 HydrophobicContact CG-CG2 4Å; W691-I753 HydrophobicContact CE3-CG2 4.35Å; W691-I753 HydrophobicContact CH2-CG2 4.41Å; W691-I753 HydrophobicContact CZ3-CG2 4.04Å; L749-I753 WeakPolarHBondContact O-CG1 3.21Å; L749-I753 PolarHBondContact O-N 3.29Å; N750-I753 PolarHBondContact O-N 3.02Å; S751-I753 VanDerWaalsContact C-N 3.35Å; S751-I753 PolarHBondContact O-N 3.16Å; I753-Q755 VanDerWaalsContact C-N 3.33Å; I753-Q755 PolarHBondContact O-N 3.44Å; I753-L756 PolarHBondContact O-N 2.87Å; I753-M757 HydrophobicContact CG2-CE 3.58Å; I753-M757 HydrophobicContact CG2-CG 4.28Å; I753-M757 HydrophobicContact CG2-SD 4.25Å; I753-M757 WeakPolarHBondContact O-CG 3.46Å; I753-M757 PolarHBondContact O-N 2.96Å; I753-M791 HydrophobicContact CD1-SD 3.93Å; I753-M791 HydrophobicContact CG1-CE 4.4Å; I753-M791 HydrophobicContact CG1-SD 3.42Å; I753-M791 WeakPolarHBondContact CG1-SD 3.41Å
754	S	97.3	Very high	95.8	Very high	55 Å²	55	28 Å²	28	39%	0.385	17%	0.166	S	C	.	.	H	α-helix	trans	-59.4	-42.8	177.3	-58.1	0	0	0	0	112.1	F668 N750 S751 A752 M757 G758	F668-S754 WeakPolarHBondContact CE2-OG 3.39Å; N750-S754 PolarHBondContact O-N 3Å; N750-S754 PolarHBondContact O-OG 3.17Å; S751-S754 WeakPolarHBondContact O-CA 3.48Å; S751-S754 WeakPolarHBondContact O-CB 3.38Å; S751-S754 PolarHBondContact O-N 3.2Å; S751-S754 VanDerWaalsContact O-N 3.07Å; A752-S754 VanDerWaalsContact C-N 3.32Å; A752-S754 PolarHBondContact O-N 3.23Å; S754-M757 WeakPolarHBondContact O-CB 3.49Å; S754-M757 PolarHBondContact O-N 3.15Å; S754-G758 PolarHBondContact O-N 2.79Å
755	Q	98.3	Very high	95.9	Very high	47 Å²	47	34 Å²	34	22%	0.22	19%	0.191	C	C	.	.	H	α-helix	trans	-62.6	-44.5	175.6	-64.6	-56.5	-17.2	0	0	111.6	I735 Q738 V739 S751 A752 I753 M757 G758 L759	I735-Q755 HydrophobicContact CD1-CB 3.74Å; I735-Q755 HydrophobicContact CD1-CG 4.32Å; I735-Q755 HydrophobicContact CG2-CB 4.19Å; Q738-Q755 HydrophobicContact CB-CG 4.41Å; V739-Q755 HydrophobicContact CG2-CB 3.89Å; S751-Q755 WeakPolarHBondContact O-CG 3.31Å; S751-Q755 PolarHBondContact O-N 3.02Å; A752-Q755 PolarHBondContact O-N 2.75Å; I753-Q755 VanDerWaalsContact C-N 3.33Å; I753-Q755 PolarHBondContact O-N 3.44Å; Q755-M757 VanDerWaalsContact C-N 3.35Å; Q755-M757 PolarHBondContact O-N 2.99Å; Q755-G758 WeakPolarHBondContact O-CA 3.48Å; Q755-G758 PolarHBondContact O-N 2.79Å; Q755-G758 VanDerWaalsContact O-N 3.1Å; Q755-L759 PolarHBondContact O-N 3.24Å
756	L	98.6	Very high	96.4	Very high	0 Å²	0	29 Å²	29	0%	0	17%	0.168	C	C	.	.	H	α-helix	trans	-66.8	-33.7	176.6	-61.2	-178.9	0	0	0	113	W691 I735 V739 A752 I753 G758 L759 S760 L784 M787 A788 M791	W691-L756 HydrophobicContact CH2-CB 4.22Å; W691-L756 HydrophobicContact CH2-CD1 4.43Å; W691-L756 HydrophobicContact CZ2-CB 3.71Å; I735-L756 HydrophobicContact CG2-CD2 4.07Å; V739-L756 HydrophobicContact CG2-CD2 3.94Å; V739-L756 HydrophobicContact CG2-CG 4.19Å; A752-L756 WeakPolarHBondContact O-CG 3.44Å; A752-L756 PolarHBondContact O-N 3.2Å; A752-L756 VanDerWaalsContact O-N 3.07Å; I753-L756 PolarHBondContact O-N 2.87Å; L756-G758 VanDerWaalsContact C-N 3.31Å; L756-L759 PolarHBondContact O-N 3.35Å; L756-S760 WeakPolarHBondContact O-CB 3.49Å; L756-S760 PolarHBondContact O-N 2.79Å; L756-S760 PolarHBondContact O-OG 2.89Å; L756-L784 HydrophobicContact CB-CD1 3.84Å; L756-L784 HydrophobicContact CD2-CD1 3.95Å; L756-L784 HydrophobicContact CG-CD1 4.39Å; L756-M787 HydrophobicContact CD1-CB 4.17Å; L756-M787 HydrophobicContact CD2-CB 3.71Å; L756-M787 HydrophobicContact CD2-CE 3.7Å; L756-M787 HydrophobicContact CD2-CG 4.49Å; L756-M787 HydrophobicContact CD2-SD 4.03Å; L756-A788 HydrophobicContact CD1-CB 4.28Å; L756-M791 HydrophobicContact CD1-CE 3.39Å
757	M	98.4	Very high	96.9	Very high	29 Å²	29	27.3 Å²	27.3	14%	0.143	16%	0.162	C	C	.	.	H	α-helix	trans	-63.9	-36.6	170.2	-73.3	-176.5	179.4	0	0	112	F668 W691 R694 I753 S754 Q755 S760 S761	F668-M757 HydrophobicContact CD1-CE 4.27Å; F668-M757 HydrophobicContact CD2-CE 4.46Å; F668-M757 HydrophobicContact CE1-CE 4.07Å; F668-M757 HydrophobicContact CE1-SD 4.5Å; F668-M757 HydrophobicContact CE2-CE 4.25Å; F668-M757 HydrophobicContact CE2-SD 4.15Å; F668-M757 HydrophobicContact CG-CE 4.47Å; F668-M757 HydrophobicContact CZ-CE 4.06Å; F668-M757 HydrophobicContact CZ-SD 3.97Å; W691-M757 HydrophobicContact CB-CE 3.78Å; W691-M757 HydrophobicContact CB-CG 4.27Å; W691-M757 HydrophobicContact CD2-CE 3.92Å; W691-M757 HydrophobicContact CD2-CG 3.7Å; W691-M757 HydrophobicContact CE3-CE 3.88Å; W691-M757 HydrophobicContact CE3-CG 4.4Å; W691-M757 HydrophobicContact CG-CE 3.9Å; W691-M757 HydrophobicContact CG-CG 3.6Å; W691-M757 HydrophobicContact CG-SD 4.42Å; W691-M757 HydrophobicContact CZ2-CG 4.47Å; R694-M757 PolarHBondContact NH1-O 2.67Å; R694-M757 VanDerWaalsContact NH1-O 3.15Å; I753-M757 HydrophobicContact CG2-CE 3.58Å; I753-M757 HydrophobicContact CG2-CG 4.28Å; I753-M757 HydrophobicContact CG2-SD 4.25Å; I753-M757 WeakPolarHBondContact O-CG 3.46Å; I753-M757 PolarHBondContact O-N 2.96Å; S754-M757 WeakPolarHBondContact O-CB 3.49Å; S754-M757 PolarHBondContact O-N 3.15Å; Q755-M757 VanDerWaalsContact C-N 3.35Å; Q755-M757 PolarHBondContact O-N 2.99Å; M757-S760 PolarHBondContact O-OG 2.85Å; M757-S760 VanDerWaalsContact O-OG 3.12Å; M757-S761 WeakPolarHBondContact O-CB 3.43Å; M757-S761 PolarHBondContact O-N 2.93Å; M757-S761 VanDerWaalsContact O-N 3.1Å; M757-S761 PolarHBondContact O-OG 3Å
758	G	97.9	Very high	97	Very high	21 Å²	21	31.8 Å²	31.8	22%	0.216	18%	0.183	C	C	.	.	H	α-helix	trans	-63.4	-51.5	173	0	0	0	0	0	112	S754 Q755 L756 S760 S761 A762	S754-G758 PolarHBondContact O-N 2.79Å; Q755-G758 WeakPolarHBondContact O-CA 3.48Å; Q755-G758 PolarHBondContact O-N 2.79Å; Q755-G758 VanDerWaalsContact O-N 3.1Å; L756-G758 VanDerWaalsContact C-N 3.31Å; G758-S760 PolarHBondContact O-N 2.7Å; G758-S761 WeakPolarHBondContact O-CB 3.42Å; G758-S761 PolarHBondContact O-N 3.41Å; G758-S761 VanDerWaalsContact O-N 3.11Å; G758-A762 PolarHBondContact O-N 3.31Å
759	L	98.5	Very high	97.1	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-59.7	-43.9	178	-177.9	58	0	0	0	112	Y731 I735 Q755 L756 S761 A762 L763 L784 M787	Y731-L759 HydrophobicContact CD1-CD1 3.93Å; Y731-L759 HydrophobicContact CE1-CB 4.5Å; Y731-L759 HydrophobicContact CE1-CD1 4.43Å; I735-L759 HydrophobicContact CB-CD2 4.47Å; I735-L759 HydrophobicContact CG1-CB 4.39Å; I735-L759 HydrophobicContact CG2-CB 4.38Å; I735-L759 HydrophobicContact CG2-CD2 4.15Å; Q755-L759 PolarHBondContact O-N 3.24Å; L756-L759 PolarHBondContact O-N 3.35Å; L759-S761 VanDerWaalsContact C-N 3.26Å; L759-S761 PolarHBondContact O-N 3.48Å; L759-A762 PolarHBondContact O-N 3.46Å; L759-L763 HydrophobicContact CD1-CD1 4.41Å; L759-L763 HydrophobicContact CD1-CG 4.41Å; L759-L763 HydrophobicContact CG-CD1 4.17Å; L759-L763 WeakPolarHBondContact O-CG 3.41Å; L759-L763 PolarHBondContact O-N 2.71Å; L759-L784 HydrophobicContact CD2-CB 4.07Å; L759-L784 HydrophobicContact CD2-CD1 4.4Å; L759-M787 HydrophobicContact CD2-CE 4.13Å
760	S	98.4	Very high	97.2	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-65.9	-29.1	177.1	77.5	0	0	0	0	112.9	W691 R694 L698 L756 M757 G758 L764	W691-S760 PolarHBondContact NE1-OG 3.03Å; R694-S760 WeakPolarHBondContact CD-OG 3.2Å; R694-S760 PolarHBondContact NH1-OG 3.45Å; L698-S760 VanDerWaalsContact CD1-O 3.26Å; L698-S760 WeakPolarHBondContact CD1-O 3.41Å; L756-S760 WeakPolarHBondContact O-CB 3.49Å; L756-S760 PolarHBondContact O-N 2.79Å; L756-S760 PolarHBondContact O-OG 2.89Å; M757-S760 PolarHBondContact O-OG 2.85Å; M757-S760 VanDerWaalsContact O-OG 3.12Å; G758-S760 PolarHBondContact O-N 2.7Å; S760-L764 WeakPolarHBondContact O-CB 3.42Å; S760-L764 PolarHBondContact O-N 2.98Å; S760-L764 VanDerWaalsContact O-N 3.15Å
761	S	97.6	Very high	97.2	Very high	39 Å²	39	34.5 Å²	34.5	27%	0.273	19%	0.188	S	C	.	.	H	α-helix	trans	-70.4	-42.1	174.1	-56.4	0	0	0	0	111.6	R694 M757 G758 L759 L764 Q765	R694-S761 PolarHBondContact NH1-OG 3.4Å; M757-S761 WeakPolarHBondContact O-CB 3.43Å; M757-S761 PolarHBondContact O-N 2.93Å; M757-S761 VanDerWaalsContact O-N 3.1Å; M757-S761 PolarHBondContact O-OG 3Å; G758-S761 WeakPolarHBondContact O-CB 3.42Å; G758-S761 PolarHBondContact O-N 3.41Å; G758-S761 VanDerWaalsContact O-N 3.11Å; L759-S761 VanDerWaalsContact C-N 3.26Å; L759-S761 PolarHBondContact O-N 3.48Å; S761-L764 PolarHBondContact O-N 2.87Å; S761-Q765 PolarHBondContact O-N 2.98Å
762	A	97.6	Very high	97.2	Very high	28 Å²	28	33.6 Å²	33.6	23%	0.231	18%	0.18	C	C	.	.	H	α-helix	trans	-63.8	-45.9	176.9	0	0	0	0	0	111.7	L728 Y731 G758 L759 L764 Q765	L728-A762 HydrophobicContact CD2-CB 4.17Å; Y731-A762 HydrophobicContact CD1-CB 3.81Å; Y731-A762 HydrophobicContact CE1-CB 3.78Å; G758-A762 PolarHBondContact O-N 3.31Å; L759-A762 PolarHBondContact O-N 3.46Å; A762-L764 VanDerWaalsContact C-N 3.27Å; A762-L764 PolarHBondContact O-N 2.97Å; A762-Q765 PolarHBondContact O-N 3.47Å
763	L	98.3	Very high	97.1	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-61.1	-36.2	176.3	-70.1	169.2	0	0	0	112.1	L698 L728 L759 Q765 A766 F777 A780 L781 L784	L698-L763 HydrophobicContact CD1-CB 3.99Å; L698-L763 HydrophobicContact CD2-CB 3.63Å; L698-L763 HydrophobicContact CG-CB 4.45Å; L728-L763 HydrophobicContact CD1-CD2 4.16Å; L728-L763 HydrophobicContact CD2-CD2 4.08Å; L759-L763 HydrophobicContact CD1-CD1 4.41Å; L759-L763 HydrophobicContact CD1-CG 4.41Å; L759-L763 HydrophobicContact CG-CD1 4.17Å; L759-L763 WeakPolarHBondContact O-CG 3.41Å; L759-L763 PolarHBondContact O-N 2.71Å; L763-Q765 PolarHBondContact O-N 2.81Å; L763-A766 VanDerWaalsContact O-CB 3.25Å; L763-A766 WeakPolarHBondContact O-CB 3.21Å; L763-A766 PolarHBondContact O-N 3.43Å; L763-A766 VanDerWaalsContact O-N 3.13Å; L763-F777 HydrophobicContact CB-CE2 4.05Å; L763-F777 HydrophobicContact CD2-CD2 3.65Å; L763-F777 HydrophobicContact CD2-CE2 3.63Å; L763-F777 HydrophobicContact CD2-CG 4.42Å; L763-F777 HydrophobicContact CD2-CZ 4.39Å; L763-F777 HydrophobicContact CG-CE2 4.46Å; L763-F777 WeakPolarHBondContact O-CE2 3.08Å; L763-A780 HydrophobicContact CD1-CB 4.48Å; L763-A780 HydrophobicContact CD2-CB 3.85Å; L763-L781 HydrophobicContact CD1-CB 4.48Å; L763-L784 HydrophobicContact CD1-CD2 3.92Å
764	L	96	Very high	97.1	Very high	60 Å²	60	34.1 Å²	34.1	31%	0.314	18%	0.182	S	C	.	.	H	α-helix	trans	-65.6	-24.2	177.6	-166.6	73.7	0	0	0	112.3	R694 L698 R701 S760 S761 A762 A766	R694-L764 HydrophobicContact CG-CD2 4.09Å; L698-L764 HydrophobicContact CG-CB 4.46Å; L698-L764 HydrophobicContact CG-CD1 4.08Å; R701-L764 PolarHBondContact NH1-O 3.27Å; S760-L764 WeakPolarHBondContact O-CB 3.42Å; S760-L764 PolarHBondContact O-N 2.98Å; S760-L764 VanDerWaalsContact O-N 3.15Å; S761-L764 PolarHBondContact O-N 2.87Å; A762-L764 VanDerWaalsContact C-N 3.27Å; A762-L764 PolarHBondContact O-N 2.97Å; L764-A766 VanDerWaalsContact C-N 3.29Å
765	Q	95.9	Very high	97	Very high	163 Å²	163	33.3 Å²	33.3	76%	0.762	18%	0.176	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84.1	-5.4	177.5	-65.4	178.9	12.1	0	0	113.1	S761 A762 L763	S761-Q765 PolarHBondContact O-N 2.98Å; A762-Q765 PolarHBondContact O-N 3.47Å; L763-Q765 PolarHBondContact O-N 2.81Å
766	A	97.1	Very high	97	Very high	4 Å²	4	33.9 Å²	33.9	3%	0.033	18%	0.179	C	C	.	.			trans	-62.1	140.6	-176.1	0	0	0	0	0	112.5	R701 E724 L728 L763 L764 V770 I771 F777	R701-A766 PolarHBondContact NH2-O 3.45Å; R701-A766 VanDerWaalsContact NH2-O 3.11Å; E724-A766 WeakPolarHBondContact OE1-CA 3.43Å; L728-A766 HydrophobicContact CD1-CB 4.27Å; L763-A766 VanDerWaalsContact O-CB 3.25Å; L763-A766 WeakPolarHBondContact O-CB 3.21Å; L763-A766 PolarHBondContact O-N 3.43Å; L763-A766 VanDerWaalsContact O-N 3.13Å; L764-A766 VanDerWaalsContact C-N 3.29Å; A766-V770 HydrophobicContact CB-CG1 4.3Å; A766-I771 HydrophobicContact CB-CD1 4.37Å; A766-I771 HydrophobicContact CB-CG1 3.99Å; A766-F777 HydrophobicContact CB-CD2 3.69Å; A766-F777 HydrophobicContact CB-CE2 3.59Å
767	S	96.6	Very high	97	Very high	35 Å²	35	33.9 Å²	33.9	25%	0.245	18%	0.179	C	C	.	.			trans	-65.2	149.6	176.4	65.9	0	0	0	0	111.5	E724 R769 V770 I771	E724-S767 PolarHBondContact OE1-N 2.93Å; E724-S767 PolarHBondContact OE2-OG 3.34Å; S767-R769 PolarHBondContact O-N 2.86Å; S767-R769 VanDerWaalsContact O-N 3.13Å; S767-V770 PolarHBondContact O-N 3.47Å; S767-V770 WeakPolarHBondContact OG-CB 3.5Å; S767-V770 VanDerWaalsContact OG-CG2 3.22Å; S767-V770 WeakPolarHBondContact OG-CG2 3.48Å; S767-V770 PolarHBondContact OG-N 3.01Å; S767-I771 WeakPolarHBondContact O-CG1 3.4Å; S767-I771 PolarHBondContact O-N 3.25Å
768	Q	94.9	Very high	97	Very high	103 Å²	103	32.6 Å²	32.6	48%	0.481	17%	0.172	S	C	.	.	H	α-helix	trans	-59.1	-31.1	-176.9	-169.9	62.7	22.2	0	0	112.7	A705 L772	A705-Q768 VanDerWaalsContact CB-NE2 3.35Å; Q768-L772 WeakPolarHBondContact O-CB 3.44Å; Q768-L772 PolarHBondContact O-N 2.83Å; Q768-L772 VanDerWaalsContact O-N 3.09Å
769	R	95.5	Very high	97	Very high	106 Å²	106	32.6 Å²	32.6	40%	0.4	17%	0.167	S	C	.	.	H	α-helix	trans	-72.4	-40.2	176.8	-70.8	-175.4	60.9	95.2	4.5	111.9	L716 L717 E721 S767 L772 H773	L716-R769 PolarHBondContact O-NH2 3.25Å; L717-R769 HydrophobicContact CD2-CB 4.48Å; E721-R769 WeakPolarHBondContact OE1-CB 3.44Å; E721-R769 WeakPolarHBondContact OE1-CD 3.47Å; E721-R769 IonicContact OE1-NE 3.79Å; E721-R769 PolarHBondContact OE1-NE 3.13Å; E721-R769 IonicContact OE2-NE 3.79Å; E721-R769 PolarHBondContact OE2-NE 2.88Å; S767-R769 PolarHBondContact O-N 2.86Å; S767-R769 VanDerWaalsContact O-N 3.13Å; R769-L772 PolarHBondContact O-N 3.03Å; R769-H773 WeakPolarHBondContact O-CB 3.38Å; R769-H773 PolarHBondContact O-CD2 3Å; R769-H773 PolarHBondContact O-N 3.2Å
770	V	97.1	Very high	97	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-61.2	-48.4	172.2	168.1	0	0	0	0	110.3	L717 E721 E724 A725 L728 A766 S767 L772 H773 S774 F777	L717-V770 HydrophobicContact CD2-CG2 4.24Å; E721-V770 HydrophobicContact CB-CG2 3.87Å; E721-V770 HydrophobicContact CG-CG2 4.35Å; E724-V770 HydrophobicContact CB-CG2 4.33Å; E724-V770 HydrophobicContact CG-CG2 4.32Å; A725-V770 HydrophobicContact CB-CG1 4.49Å; L728-V770 HydrophobicContact CD1-CG1 4.13Å; A766-V770 HydrophobicContact CB-CG1 4.3Å; S767-V770 PolarHBondContact O-N 3.47Å; S767-V770 WeakPolarHBondContact OG-CB 3.5Å; S767-V770 VanDerWaalsContact OG-CG2 3.22Å; S767-V770 WeakPolarHBondContact OG-CG2 3.48Å; S767-V770 PolarHBondContact OG-N 3.01Å; V770-L772 PolarHBondContact O-N 2.83Å; V770-H773 PolarHBondContact O-N 2.73Å; V770-S774 WeakPolarHBondContact O-CB 3.27Å; V770-S774 PolarHBondContact O-N 3.38Å; V770-F777 HydrophobicContact CG1-CB 3.96Å; V770-F777 HydrophobicContact CG1-CD2 4.3Å; V770-F777 HydrophobicContact CG1-CG 4.43Å
771	I	95.9	Very high	97	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-55.1	-39.3	176.3	-64.4	170.6	0	0	0	111.8	F702 A705 A766 S767 F777	F702-I771 HydrophobicContact CB-CG2 4.41Å; F702-I771 HydrophobicContact CD2-CG2 4.03Å; A705-I771 HydrophobicContact CB-CG2 3.77Å; A766-I771 HydrophobicContact CB-CD1 4.37Å; A766-I771 HydrophobicContact CB-CG1 3.99Å; S767-I771 WeakPolarHBondContact O-CG1 3.4Å; S767-I771 PolarHBondContact O-N 3.25Å; I771-F777 HydrophobicContact CB-CD1 4.48Å; I771-F777 HydrophobicContact CB-CE1 4.29Å; I771-F777 HydrophobicContact CB-CZ 4.43Å; I771-F777 HydrophobicContact CD1-CZ 4.42Å; I771-F777 HydrophobicContact CG1-CD1 4.43Å; I771-F777 HydrophobicContact CG1-CD2 4.15Å; I771-F777 HydrophobicContact CG1-CE1 4.06Å; I771-F777 HydrophobicContact CG1-CE2 3.74Å; I771-F777 HydrophobicContact CG1-CG 4.5Å; I771-F777 HydrophobicContact CG1-CZ 3.71Å; I771-F777 HydrophobicContact CG2-CD1 4.49Å; I771-F777 HydrophobicContact CG2-CE1 4Å; I771-F777 HydrophobicContact CG2-CZ 4.34Å
772	L	95.4	Very high	97	Very high	15 Å²	15	30.8 Å²	30.8	8%	0.079	16%	0.155	C	C	.	.	H	α-helix	trans	-83.3	-28	-178	-178	58.1	0	0	0	114.2	A705 R706 K710 Q768 R769 V770	A705-L772 HydrophobicContact CB-CD1 4.48Å; A705-L772 VanDerWaalsContact O-CD1 3.3Å; A705-L772 WeakPolarHBondContact O-CD1 3.32Å; R706-L772 PolarHBondContact NH1-O 3.44Å; K710-L772 HydrophobicContact CB-CD2 4.15Å; K710-L772 HydrophobicContact CD-CD2 4.39Å; Q768-L772 WeakPolarHBondContact O-CB 3.44Å; Q768-L772 PolarHBondContact O-N 2.83Å; Q768-L772 VanDerWaalsContact O-N 3.09Å; R769-L772 PolarHBondContact O-N 3.03Å; V770-L772 PolarHBondContact O-N 2.83Å
773	H	96.3	Very high	97.1	Very high	11 Å²	11	29.5 Å²	29.5	5%	0.051	14%	0.144	C	C	.	.	H	α-helix	trans	-124.1	-16.5	-167.3	-60.4	-58.2	0	0	0	114.4	Q713 P714 L717 R769 V770	Q713-H773 PolarHBondContact N-ND1 3.47Å; Q713-H773 VanDerWaalsContact N-ND1 3.19Å; P714-H773 WeakPolarHBondContact CA-O 3.41Å; P714-H773 WeakPolarHBondContact CG-O 3.4Å; L717-H773 HydrophobicContact CD2-CB 3.9Å; L717-H773 HydrophobicContact CG-CB 4.04Å; R769-H773 WeakPolarHBondContact O-CB 3.38Å; R769-H773 PolarHBondContact O-CD2 3Å; R769-H773 PolarHBondContact O-N 3.2Å; V770-H773 PolarHBondContact O-N 2.73Å
774	S	96.9	Very high	97.1	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	14%	0.144	C	C	.	.			trans	-86.7	125.4	-175.2	166.9	0	0	0	0	112.3	A725 V770 E776 F777 E778	A725-S774 VanDerWaalsContact CB-OG 3.31Å; A725-S774 WeakPolarHBondContact CB-OG 3.35Å; V770-S774 WeakPolarHBondContact O-CB 3.27Å; V770-S774 PolarHBondContact O-N 3.38Å; S774-E776 VanDerWaalsContact C-N 3.29Å; S774-E776 WeakPolarHBondContact OG-CB 3.3Å; S774-E776 PolarHBondContact OG-N 3.44Å; S774-E776 VanDerWaalsContact OG-N 3.13Å; S774-E776 PolarHBondContact OG-OE2 3.17Å; S774-F777 PolarHBondContact OG-N 3.15Å; S774-E778 PolarHBondContact O-N 3.24Å
775	P	96.6	Very high	97.2	Very high	38 Å²	38	26.6 Å²	26.6	25%	0.247	13%	0.129	C	C	.	.	H	α-helix	trans	-65.8	-32.8	166.5	25.9	-32	0	0	0	111.9	F777 E778 D779 L810	P775-F777 VanDerWaalsContact C-N 3.35Å; P775-F777 PolarHBondContact O-N 2.77Å; P775-E778 PolarHBondContact O-N 2.82Å; P775-D779 VanDerWaalsContact O-CB 3.27Å; P775-D779 WeakPolarHBondContact O-CB 3.28Å; P775-D779 PolarHBondContact O-N 3.2Å; P775-L810 HydrophobicContact CB-CB 3.97Å; P775-L810 HydrophobicContact CB-CD1 4.15Å
776	E	97.8	Very high	97.4	Very high	59 Å²	59	18.9 Å²	18.9	28%	0.276	9%	0.093	S	C	.	.	H	α-helix	trans	-63.4	-39.3	179.2	-57.7	78.1	-173	0	0	112.2	A725 W729 S774 A780	A725-E776 HydrophobicContact CB-CB 4.25Å; A725-E776 HydrophobicContact CB-CG 4.38Å; A725-E776 WeakPolarHBondContact O-CB 3.47Å; W729-E776 HydrophobicContact CB-CB 4.01Å; W729-E776 HydrophobicContact CB-CG 3.86Å; S774-E776 VanDerWaalsContact C-N 3.29Å; S774-E776 WeakPolarHBondContact OG-CB 3.3Å; S774-E776 PolarHBondContact OG-N 3.44Å; S774-E776 VanDerWaalsContact OG-N 3.13Å; S774-E776 PolarHBondContact OG-OE2 3.17Å; E776-A780 WeakPolarHBondContact O-CB 3.03Å; E776-A780 PolarHBondContact O-N 2.74Å
777	F	98.1	Very high	97.4	Very high	1 Å²	1	18.7 Å²	18.7	0%	0.004	9%	0.091	C	C	.	.	H	α-helix	trans	-64.8	-47.4	174.2	179.3	-85.2	0	0	0	111.5	L698 F702 L728 L763 A766 V770 I771 S774 P775 D779 A780 L781	L698-F777 HydrophobicContact CD2-CE2 4.44Å; L698-F777 HydrophobicContact CD2-CZ 3.95Å; F702-F777 HydrophobicContact CB-CE1 4.39Å; F702-F777 HydrophobicContact CD2-CD1 4.06Å; F702-F777 AromaticContact CD2-CE1 3.75Å; F702-F777 HydrophobicContact CD2-CE1 3.75Å; F702-F777 HydrophobicContact CE2-CD1 4.35Å; F702-F777 HydrophobicContact CE2-CE1 4.46Å; F702-F777 HydrophobicContact CG-CE1 4.36Å; L728-F777 HydrophobicContact CD1-CB 4.46Å; L728-F777 HydrophobicContact CD1-CD2 3.91Å; L763-F777 HydrophobicContact CB-CE2 4.05Å; L763-F777 HydrophobicContact CD2-CD2 3.65Å; L763-F777 HydrophobicContact CD2-CE2 3.63Å; L763-F777 HydrophobicContact CD2-CG 4.42Å; L763-F777 HydrophobicContact CD2-CZ 4.39Å; L763-F777 HydrophobicContact CG-CE2 4.46Å; L763-F777 WeakPolarHBondContact O-CE2 3.08Å; A766-F777 HydrophobicContact CB-CD2 3.69Å; A766-F777 HydrophobicContact CB-CE2 3.59Å; V770-F777 HydrophobicContact CG1-CB 3.96Å; V770-F777 HydrophobicContact CG1-CD2 4.3Å; V770-F777 HydrophobicContact CG1-CG 4.43Å; I771-F777 HydrophobicContact CB-CD1 4.48Å; I771-F777 HydrophobicContact CB-CE1 4.29Å; I771-F777 HydrophobicContact CB-CZ 4.43Å; I771-F777 HydrophobicContact CD1-CZ 4.42Å; I771-F777 HydrophobicContact CG1-CD1 4.43Å; I771-F777 HydrophobicContact CG1-CD2 4.15Å; I771-F777 HydrophobicContact CG1-CE1 4.06Å; I771-F777 HydrophobicContact CG1-CE2 3.74Å; I771-F777 HydrophobicContact CG1-CG 4.5Å; I771-F777 HydrophobicContact CG1-CZ 3.71Å; I771-F777 HydrophobicContact CG2-CD1 4.49Å; I771-F777 HydrophobicContact CG2-CE1 4Å; I771-F777 HydrophobicContact CG2-CZ 4.34Å; S774-F777 PolarHBondContact OG-N 3.15Å; P775-F777 VanDerWaalsContact C-N 3.35Å; P775-F777 PolarHBondContact O-N 2.77Å; F777-D779 VanDerWaalsContact C-N 3.34Å; F777-D779 PolarHBondContact O-N 3.44Å; F777-A780 PolarHBondContact O-N 3.05Å; F777-L781 HydrophobicContact CE1-CB 4.46Å; F777-L781 HydrophobicContact CE1-CD2 4.1Å; F777-L781 WeakPolarHBondContact O-CB 3.34Å; F777-L781 PolarHBondContact O-N 2.68Å
778	E	97.8	Very high	97.5	Very high	2 Å²	2	17 Å²	17	1%	0.009	8%	0.079	C	C	.	.	H	α-helix	trans	-60.4	-46.1	179.5	-176.5	174.4	124.1	0	0	110.9	F702 R706 S774 P775 L781 C782 K809 L810 C811	F702-E778 HydrophobicContact CE2-CB 4.31Å; F702-E778 HydrophobicContact CE2-CG 4.36Å; F702-E778 HydrophobicContact CZ-CB 4.21Å; F702-E778 HydrophobicContact CZ-CG 3.76Å; F702-E778 WeakPolarHBondContact CZ-OE2 3.43Å; R706-E778 IonicContact CZ-OE2 2.88Å; R706-E778 IonicContact NE-OE2 2.81Å; R706-E778 IonicContact NH2-OE2 3.77Å; R706-E778 PolarHBondContact NH2-OE2 3.36Å; S774-E778 PolarHBondContact O-N 3.24Å; P775-E778 PolarHBondContact O-N 2.82Å; E778-L781 PolarHBondContact O-N 3.13Å; E778-C782 WeakPolarHBondContact O-CB 3.42Å; E778-C782 PolarHBondContact O-N 3.02Å; E778-C782 PolarHBondContact O-SG 3.41Å; E778-K809 WeakPolarHBondContact OE1-CA 3.44Å; E778-L810 PolarHBondContact OE1-N 2.87Å; E778-L810 PolarHBondContact OE2-N 3.06Å; E778-C811 PolarHBondContact OE1-N 3.43Å
779	D	98.1	Very high	97.7	Very high	20 Å²	20	12.1 Å²	12.1	11%	0.107	6%	0.057	C	C	.	.	H	α-helix	trans	-61.8	-47.6	176.8	-175	44.5	0	0	0	112.1	K732 P775 F777 L781 C782 A783 H813 Y814	K732-D779 WeakPolarHBondContact CD-OD2 3.43Å; K732-D779 IonicContact NZ-OD2 3.46Å; K732-D779 PolarHBondContact NZ-OD2 2.67Å; P775-D779 VanDerWaalsContact O-CB 3.27Å; P775-D779 WeakPolarHBondContact O-CB 3.28Å; P775-D779 PolarHBondContact O-N 3.2Å; F777-D779 VanDerWaalsContact C-N 3.34Å; F777-D779 PolarHBondContact O-N 3.44Å; D779-L781 VanDerWaalsContact C-N 3.33Å; D779-L781 PolarHBondContact O-N 2.93Å; D779-C782 PolarHBondContact O-N 2.94Å; D779-A783 VanDerWaalsContact O-CB 3.32Å; D779-A783 WeakPolarHBondContact O-CB 3.5Å; D779-A783 PolarHBondContact O-N 3.1Å; D779-H813 IonicContact OD1-CE1 3.25Å; D779-H813 PolarHBondContact OD1-CE1 3.15Å; D779-H813 IonicContact OD1-NE2 3.94Å; D779-H813 PolarHBondContact OD1-NE2 2.85Å; D779-Y814 PolarHBondContact O-OH 2.89Å; D779-Y814 PolarHBondContact OD1-OH 2.69Å
780	A	98.6	Very high	97.8	Very high	0 Å²	0	7 Å²	7	0%	0	4%	0.038	C	C	.	.	H	α-helix	trans	-64.1	-36.8	178.4	0	0	0	0	0	113	K732 L763 E776 F777 L784	K732-A780 HydrophobicContact CB-CB 3.92Å; K732-A780 HydrophobicContact CD-CB 4.22Å; K732-A780 HydrophobicContact CG-CB 4.04Å; L763-A780 HydrophobicContact CD1-CB 4.48Å; L763-A780 HydrophobicContact CD2-CB 3.85Å; E776-A780 WeakPolarHBondContact O-CB 3.03Å; E776-A780 PolarHBondContact O-N 2.74Å; F777-A780 PolarHBondContact O-N 3.05Å; A780-L784 WeakPolarHBondContact O-CB 3.46Å; A780-L784 PolarHBondContact O-N 3.33Å
781	L	98.5	Very high	97.9	Very high	0 Å²	0	7 Å²	7	0%	0	4%	0.038	C	C	.	.	H	α-helix	trans	-65.9	-43.7	173.8	179	60.7	0	0	0	111.3	L698 F702 L763 F777 E778 D779 L784 M785 L803	L698-L781 HydrophobicContact CB-CD1 4.34Å; L698-L781 HydrophobicContact CD2-CD1 4.48Å; F702-L781 HydrophobicContact CB-CD2 3.83Å; F702-L781 HydrophobicContact CD1-CD2 4.01Å; F702-L781 HydrophobicContact CD2-CD2 4.44Å; F702-L781 HydrophobicContact CG-CD2 3.84Å; L763-L781 HydrophobicContact CD1-CB 4.48Å; F777-L781 HydrophobicContact CE1-CB 4.46Å; F777-L781 HydrophobicContact CE1-CD2 4.1Å; F777-L781 WeakPolarHBondContact O-CB 3.34Å; F777-L781 PolarHBondContact O-N 2.68Å; E778-L781 PolarHBondContact O-N 3.13Å; D779-L781 VanDerWaalsContact C-N 3.33Å; D779-L781 PolarHBondContact O-N 2.93Å; L781-L784 WeakPolarHBondContact O-CB 3.29Å; L781-L784 PolarHBondContact O-N 2.9Å; L781-M785 HydrophobicContact CD1-CE 3.79Å; L781-M785 WeakPolarHBondContact O-CG 3.49Å; L781-M785 PolarHBondContact O-N 2.9Å; L781-L803 HydrophobicContact CD2-CD2 3.94Å
782	C	98.4	Very high	98	Very high	1 Å²	1	7 Å²	7	1%	0.007	4%	0.038	C	C	.	.	H	α-helix	trans	-66.3	-46.6	178.3	-66.9	0	0	0	0	111.6	E778 D779 L784 M785 V786 W800 Y814 W816	E778-C782 WeakPolarHBondContact O-CB 3.42Å; E778-C782 PolarHBondContact O-N 3.02Å; E778-C782 PolarHBondContact O-SG 3.41Å; D779-C782 PolarHBondContact O-N 2.94Å; C782-L784 VanDerWaalsContact C-N 3.29Å; C782-L784 PolarHBondContact O-N 3.42Å; C782-M785 PolarHBondContact O-N 3.14Å; C782-V786 WeakPolarHBondContact O-CG2 3.39Å; C782-V786 PolarHBondContact O-N 3.4Å; C782-W800 HydrophobicContact CB-CH2 4.13Å; C782-W800 HydrophobicContact CB-CZ3 3.79Å; C782-Y814 HydrophobicContact CB-CD2 3.91Å; C782-Y814 HydrophobicContact CB-CE1 4.13Å; C782-Y814 HydrophobicContact CB-CE2 3.24Å; C782-Y814 WeakPolarHBondContact CB-OH 3.45Å; C782-W816 WeakPolarHBondContact SG-CH2 3.5Å
783	A	98.6	Very high	98.1	Very high	1 Å²	1	6.3 Å²	6.3	1%	0.008	3%	0.034	C	C	.	.	H	α-helix	trans	-58.1	-41	175.8	0	0	0	0	0	111.8	K732 I736 D779 M785 V786 M787 Y814 P826	K732-A783 HydrophobicContact CD-CB 4.08Å; K732-A783 HydrophobicContact CG-CB 4.04Å; I736-A783 HydrophobicContact CD1-CB 4.42Å; D779-A783 VanDerWaalsContact O-CB 3.32Å; D779-A783 WeakPolarHBondContact O-CB 3.5Å; D779-A783 PolarHBondContact O-N 3.1Å; A783-M785 VanDerWaalsContact C-N 3.33Å; A783-M785 PolarHBondContact O-N 2.88Å; A783-V786 PolarHBondContact O-N 3.29Å; A783-M787 HydrophobicContact CB-CE 4.36Å; A783-M787 WeakPolarHBondContact O-CB 3.44Å; A783-M787 WeakPolarHBondContact O-CE 3.3Å; A783-M787 VanDerWaalsContact O-CG 3.32Å; A783-M787 WeakPolarHBondContact O-CG 3.45Å; A783-M787 PolarHBondContact O-N 3.2Å; A783-Y814 PolarHBondContact N-OH 3Å; A783-Y814 VanDerWaalsContact N-OH 3.16Å; A783-P826 HydrophobicContact CB-CB 4.36Å; A783-P826 HydrophobicContact CB-CG 4.49Å
784	L	98.8	Very high	98.1	Very high	0 Å²	0	5.9 Å²	5.9	0%	0	3%	0.032	C	C	.	.	H	α-helix	trans	-58.1	-43.7	173.4	172.7	63.5	0	0	0	111.9	L695 L756 L759 L763 A780 L781 C782 A788	L695-L784 HydrophobicContact CD2-CD1 4.48Å; L695-L784 HydrophobicContact CD2-CD2 3.83Å; L695-L784 HydrophobicContact CD2-CG 4.22Å; L756-L784 HydrophobicContact CB-CD1 3.84Å; L756-L784 HydrophobicContact CD2-CD1 3.95Å; L756-L784 HydrophobicContact CG-CD1 4.39Å; L759-L784 HydrophobicContact CD2-CB 4.07Å; L759-L784 HydrophobicContact CD2-CD1 4.4Å; L763-L784 HydrophobicContact CD1-CD2 3.92Å; A780-L784 WeakPolarHBondContact O-CB 3.46Å; A780-L784 PolarHBondContact O-N 3.33Å; L781-L784 WeakPolarHBondContact O-CB 3.29Å; L781-L784 PolarHBondContact O-N 2.9Å; C782-L784 VanDerWaalsContact C-N 3.29Å; C782-L784 PolarHBondContact O-N 3.42Å; L784-A788 VanDerWaalsContact O-CB 3.24Å; L784-A788 WeakPolarHBondContact O-CB 3.19Å; L784-A788 PolarHBondContact O-N 3.15Å
785	M	98.6	Very high	98.2	Very high	0 Å²	0	5.9 Å²	5.9	0%	0	3%	0.032	C	C	.	.	H	α-helix	trans	-69.1	-41.2	179.1	-63.3	-54.1	136.7	0	0	112.4	L695 L781 C782 A783 A788 A789 T796 I799 W800 L803	L695-M785 HydrophobicContact CB-CE 4.28Å; L695-M785 HydrophobicContact CD2-CE 3.83Å; L781-M785 HydrophobicContact CD1-CE 3.79Å; L781-M785 WeakPolarHBondContact O-CG 3.49Å; L781-M785 PolarHBondContact O-N 2.9Å; C782-M785 PolarHBondContact O-N 3.14Å; A783-M785 VanDerWaalsContact C-N 3.33Å; A783-M785 PolarHBondContact O-N 2.88Å; M785-A788 PolarHBondContact O-N 2.99Å; M785-A789 WeakPolarHBondContact O-CB 3.46Å; M785-A789 PolarHBondContact O-N 3.2Å; M785-T796 HydrophobicContact SD-CG2 4.47Å; M785-I799 HydrophobicContact CE-CG2 4.37Å; M785-I799 HydrophobicContact CG-CG2 3.69Å; M785-I799 HydrophobicContact SD-CB 4.23Å; M785-I799 HydrophobicContact SD-CD1 3.93Å; M785-I799 HydrophobicContact SD-CG2 3.52Å; M785-I799 VanDerWaalsContact SD-CG2 3.52Å; M785-W800 HydrophobicContact CB-CE3 4.23Å; M785-L803 HydrophobicContact CG-CD1 4.11Å
786	V	98.8	Very high	98.3	Very high	0 Å²	0	4 Å²	4	0%	0	2%	0.02	C	C	.	.	H	α-helix	trans	-62.6	-45.3	175.7	178	0	0	0	0	110.4	M117 C782 A783 A788 A789 P790 W800 Y814 V820 Q823	M117-V786 HydrophobicContact CE-CB 4.45Å; M117-V786 HydrophobicContact CE-CG1 3.37Å; M117-V786 WeakPolarHBondContact CE-O 3.47Å; C782-V786 WeakPolarHBondContact O-CG2 3.39Å; C782-V786 PolarHBondContact O-N 3.4Å; A783-V786 PolarHBondContact O-N 3.29Å; V786-A788 PolarHBondContact O-N 2.97Å; V786-A789 WeakPolarHBondContact O-CB 3.31Å; V786-A789 PolarHBondContact O-N 2.94Å; V786-P790 WeakPolarHBondContact O-CD 3.28Å; V786-W800 HydrophobicContact CG2-CH2 4.15Å; V786-W800 HydrophobicContact CG2-CZ3 3.89Å; V786-Y814 HydrophobicContact CG2-CE1 4.19Å; V786-V820 HydrophobicContact CG2-CG2 4.21Å; V786-Q823 HydrophobicContact CG1-CB 4.15Å; V786-Q823 HydrophobicContact CG2-CB 3.97Å; V786-Q823 HydrophobicContact CG2-CG 4.1Å
787	M	98.8	Very high	98.3	Very high	0 Å²	0	1.3 Å²	1.3	0%	0	1%	0.007	C	C	.	.	H	α-helix	trans	-68.3	-31.8	177.6	-70	-172.7	-73.3	0	0	113.6	I735 I736 V739 L756 L759 A783 P790 M791 W825 P826	I735-M787 HydrophobicContact CG2-CE 4.11Å; I736-M787 HydrophobicContact CB-SD 4.38Å; I736-M787 HydrophobicContact CG1-CE 3.89Å; I736-M787 HydrophobicContact CG1-SD 3.83Å; V739-M787 HydrophobicContact CB-SD 4.11Å; V739-M787 HydrophobicContact CG1-SD 4.21Å; V739-M787 HydrophobicContact CG2-SD 4.36Å; L756-M787 HydrophobicContact CD1-CB 4.17Å; L756-M787 HydrophobicContact CD2-CB 3.71Å; L756-M787 HydrophobicContact CD2-CE 3.7Å; L756-M787 HydrophobicContact CD2-CG 4.49Å; L756-M787 HydrophobicContact CD2-SD 4.03Å; L759-M787 HydrophobicContact CD2-CE 4.13Å; A783-M787 HydrophobicContact CB-CE 4.36Å; A783-M787 WeakPolarHBondContact O-CB 3.44Å; A783-M787 WeakPolarHBondContact O-CE 3.3Å; A783-M787 VanDerWaalsContact O-CG 3.32Å; A783-M787 WeakPolarHBondContact O-CG 3.45Å; A783-M787 PolarHBondContact O-N 3.2Å; M787-P790 WeakPolarHBondContact O-CD 3.35Å; M787-M791 WeakPolarHBondContact O-CE 3.48Å; M787-W825 HydrophobicContact CB-CH2 3.83Å; M787-W825 HydrophobicContact CB-CZ2 4.3Å; M787-W825 HydrophobicContact CB-CZ3 4.33Å; M787-W825 HydrophobicContact CG-CH2 3.76Å; M787-W825 HydrophobicContact CG-CZ2 3.75Å; M787-W825 HydrophobicContact CG-CZ3 4.3Å; M787-W825 HydrophobicContact SD-CZ2 4.4Å; M787-P826 HydrophobicContact CG-CG 3.65Å; M787-P826 HydrophobicContact SD-CG 4.22Å
788	A	98.8	Very high	98.2	Very high	0 Å²	0	1.2 Å²	1.2	0%	0	1%	0.007	C	C	.	.	H	α-helix	trans	-76.4	-22.2	176.7	0	0	0	0	0	113.2	W691 L756 L784 M785 V786 M791 A792 T796	W691-A788 HydrophobicContact CH2-CB 4.39Å; L756-A788 HydrophobicContact CD1-CB 4.28Å; L784-A788 VanDerWaalsContact O-CB 3.24Å; L784-A788 WeakPolarHBondContact O-CB 3.19Å; L784-A788 PolarHBondContact O-N 3.15Å; M785-A788 PolarHBondContact O-N 2.99Å; V786-A788 PolarHBondContact O-N 2.97Å; A788-M791 PolarHBondContact O-N 2.92Å; A788-A792 PolarHBondContact O-N 2.91Å; A788-T796 HydrophobicContact CB-CG2 3.75Å
789	A	98.4	Very high	98.2	Very high	0 Å²	0	1.1 Å²	1.1	0%	0	1%	0.006	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.8	-39.2	-171	0	0	0	0	0	115.5	M785 V786 M791 P793 T796 V820 L821	M785-A789 WeakPolarHBondContact O-CB 3.46Å; M785-A789 PolarHBondContact O-N 3.2Å; V786-A789 WeakPolarHBondContact O-CB 3.31Å; V786-A789 PolarHBondContact O-N 2.94Å; A789-M791 PolarHBondContact O-N 2.99Å; A789-P793 WeakPolarHBondContact O-CA 3.36Å; A789-P793 WeakPolarHBondContact O-CB 3.47Å; A789-T796 WeakPolarHBondContact CA-OG1 3.27Å; A789-T796 HydrophobicContact CB-CG2 4.49Å; A789-V820 HydrophobicContact CB-CB 4.46Å; A789-V820 HydrophobicContact CB-CG1 3.81Å; A789-V820 HydrophobicContact CB-CG2 3.86Å; A789-L821 HydrophobicContact CB-CD2 3.9Å; A789-L821 HydrophobicContact CB-CG 4.49Å
790	P	97.9	Very high	98.2	Very high	0 Å²	0	0.4 Å²	0.4	0%	0	0%	0.002	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.7	-26.8	173.9	-27.3	36.5	0	0	0	114.2	T110 R113 F114 M117 R663 F743 V786 M787 W825	T110-P790 WeakPolarHBondContact CA-O 3.5Å; T110-P790 HydrophobicContact CG2-CB 4.17Å; T110-P790 WeakPolarHBondContact O-CB 3.24Å; T110-P790 PolarHBondContact OG1-O 2.82Å; R113-P790 HydrophobicContact CB-CB 3.86Å; R113-P790 HydrophobicContact CB-CG 4.34Å; F114-P790 HydrophobicContact CB-CB 4.37Å; F114-P790 HydrophobicContact CB-CG 4.23Å; M117-P790 HydrophobicContact SD-CG 3.76Å; R663-P790 PolarHBondContact NH2-O 3.49Å; F743-P790 HydrophobicContact CE1-CB 4.4Å; V786-P790 WeakPolarHBondContact O-CD 3.28Å; M787-P790 WeakPolarHBondContact O-CD 3.35Å; P790-W825 HydrophobicContact CG-CZ3 3.86Å
791	M	98.1	Very high	98	Very high	0 Å²	0	1.5 Å²	1.5	0%	0	1%	0.011	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.5	-42.3	-174.7	-62.4	175.9	-85	0	0	111.6	T110 R663 L664 L667 F743 I753 L756 M787 A788 A789 P793	T110-M791 HydrophobicContact CG2-CG 3.68Å; R663-M791 PolarHBondContact NE-O 3.37Å; L664-M791 HydrophobicContact CD2-CB 3.8Å; L667-M791 HydrophobicContact CD1-CB 3.91Å; L667-M791 HydrophobicContact CD1-CG 3.79Å; F743-M791 HydrophobicContact CE2-CE 4.11Å; F743-M791 HydrophobicContact CE2-SD 4.35Å; F743-M791 HydrophobicContact CZ-CE 3.99Å; F743-M791 HydrophobicContact CZ-CG 4.13Å; F743-M791 HydrophobicContact CZ-SD 4.02Å; I753-M791 HydrophobicContact CD1-SD 3.93Å; I753-M791 HydrophobicContact CG1-CE 4.4Å; I753-M791 HydrophobicContact CG1-SD 3.42Å; I753-M791 WeakPolarHBondContact CG1-SD 3.41Å; L756-M791 HydrophobicContact CD1-CE 3.39Å; M787-M791 WeakPolarHBondContact O-CE 3.48Å; A788-M791 PolarHBondContact O-N 2.92Å; A789-M791 PolarHBondContact O-N 2.99Å; M791-P793 WeakPolarHBondContact O-CD 3.31Å
792	A	98.1	Very high	97.8	Very high	0 Å²	0	1.6 Å²	1.6	0%	0	1%	0.012	C	C	.	.	S	Bend	trans	-127.6	70	-179.7	0	0	0	0	0	111.3	D660 L664 A788 H794 I795 T796	D660-A792 HydrophobicContact CB-CB 4.11Å; L664-A792 HydrophobicContact CD1-CB 3.85Å; L664-A792 HydrophobicContact CD2-CB 4.03Å; L664-A792 HydrophobicContact CG-CB 3.95Å; A788-A792 PolarHBondContact O-N 2.91Å; A792-H794 VanDerWaalsContact C-N 3.34Å; A792-H794 PolarHBondContact O-N 3.44Å; A792-I795 HydrophobicContact CB-CG2 3.64Å; A792-T796 WeakPolarHBondContact O-CB 3.43Å; A792-T796 VanDerWaalsContact O-CG2 3.3Å; A792-T796 WeakPolarHBondContact O-CG2 3.34Å; A792-T796 PolarHBondContact O-N 2.86Å; A792-T796 PolarHBondContact O-OG1 3.47Å
793	P	97.7	Very high	97.6	Very high	0 Å²	0	1.6 Å²	1.6	0%	0	1%	0.012	C	C	.	.	H	α-helix	trans	-67.8	-27.2	-168.4	26.9	-37.1	0	0	0	114.2	I67 D660 A789 M791 T796 S797 L821	I67-P793 HydrophobicContact CD1-CB 4.15Å; I67-P793 WeakPolarHBondContact CD1-O 3.34Å; D660-P793 VanDerWaalsContact OD1-CD 3.27Å; D660-P793 WeakPolarHBondContact OD1-CD 3.29Å; A789-P793 WeakPolarHBondContact O-CA 3.36Å; A789-P793 WeakPolarHBondContact O-CB 3.47Å; M791-P793 WeakPolarHBondContact O-CD 3.31Å; P793-T796 PolarHBondContact O-OG1 2.82Å; P793-S797 VanDerWaalsContact O-CB 3.28Å; P793-S797 WeakPolarHBondContact O-CB 3.41Å; P793-S797 PolarHBondContact O-N 3.15Å; P793-S797 PolarHBondContact O-OG 3.03Å; P793-L821 HydrophobicContact CB-CD1 3.96Å; P793-L821 HydrophobicContact CB-CD2 4.38Å
794	H	97.8	Very high	97.3	Very high	1 Å²	1	2.4 Å²	2.4	1%	0.005	2%	0.018	C	C	.	.	H	α-helix	trans	-78.1	-51.9	-176	-52.8	83.3	0	0	0	111.5	V59 E60 H64 D660 A792 T796 S797 E798	V59-H794 HydrophobicContact CG1-CB 4.29Å; V59-H794 WeakPolarHBondContact CG1-O 3.13Å; E60-H794 HydrophobicContact CG-CB 3.91Å; H64-H794 AromaticContact ND1-NE2 3.49Å; H64-H794 PolarHBondContact ND1-NE2 2.76Å; D660-H794 IonicContact OD1-CE1 3.12Å; D660-H794 IonicContact OD1-CG 2.8Å; D660-H794 PolarHBondContact OD1-N 3.03Å; D660-H794 IonicContact OD1-ND1 2.7Å; D660-H794 PolarHBondContact OD1-ND1 3.23Å; D660-H794 WeakPolarHBondContact OD2-CA 3.49Å; D660-H794 WeakPolarHBondContact OD2-CB 3.45Å; D660-H794 IonicContact OD2-CG 3.56Å; D660-H794 PolarHBondContact OD2-N 2.75Å; D660-H794 IonicContact OD2-ND1 2.66Å; A792-H794 VanDerWaalsContact C-N 3.34Å; A792-H794 PolarHBondContact O-N 3.44Å; H794-T796 VanDerWaalsContact C-N 3.34Å; H794-T796 PolarHBondContact O-N 2.89Å; H794-S797 PolarHBondContact O-N 2.85Å; H794-E798 PolarHBondContact O-N 2.96Å; H794-E798 VanDerWaalsContact O-N 3.17Å
795	I	97.8	Very high	96.7	Very high	0 Å²	0	7.9 Å²	7.9	0%	0	5%	0.047	C	C	.	.	H	α-helix	trans	-63.1	-41.3	179.6	-168.5	-177.5	0	0	0	111.2	Y51 D660 Q692 W696 A792 E798 I799	Y51-I795 HydrophobicContact CD1-CD1 4.46Å; Y51-I795 HydrophobicContact CE1-CD1 3.7Å; Y51-I795 HydrophobicContact CE2-CD1 4.11Å; Y51-I795 HydrophobicContact CE2-CG1 4.11Å; Y51-I795 VanDerWaalsContact CZ-CD1 3.49Å; Y51-I795 WeakPolarHBondContact OH-CD1 3.43Å; D660-I795 WeakPolarHBondContact OD2-CG2 3.14Å; D660-I795 PolarHBondContact OD2-N 3.16Å; Q692-I795 HydrophobicContact CB-CD1 3.85Å; Q692-I795 HydrophobicContact CG-CD1 4.14Å; W696-I795 HydrophobicContact CE3-CG1 4.27Å; A792-I795 HydrophobicContact CB-CG2 3.64Å; I795-E798 PolarHBondContact O-N 2.62Å; I795-I799 HydrophobicContact CD1-CD1 4.29Å; I795-I799 HydrophobicContact CG1-CD1 3.91Å; I795-I799 HydrophobicContact CG1-CG1 4.48Å; I795-I799 WeakPolarHBondContact O-CB 3.06Å; I795-I799 WeakPolarHBondContact O-CG1 3.1Å; I795-I799 PolarHBondContact O-N 2.82Å
796	T	98.4	Very high	96.2	Very high	0 Å²	0	8.1 Å²	8.1	0%	0	5%	0.049	C	C	.	.	H	α-helix	trans	-69.5	-33.7	179.8	53.1	0	0	0	0	111.9	M785 A788 A789 A792 P793 H794 I799 W800	M785-T796 HydrophobicContact SD-CG2 4.47Å; A788-T796 HydrophobicContact CB-CG2 3.75Å; A789-T796 WeakPolarHBondContact CA-OG1 3.27Å; A789-T796 HydrophobicContact CB-CG2 4.49Å; A792-T796 WeakPolarHBondContact O-CB 3.43Å; A792-T796 VanDerWaalsContact O-CG2 3.3Å; A792-T796 WeakPolarHBondContact O-CG2 3.34Å; A792-T796 PolarHBondContact O-N 2.86Å; A792-T796 PolarHBondContact O-OG1 3.47Å; P793-T796 PolarHBondContact O-OG1 2.82Å; H794-T796 VanDerWaalsContact C-N 3.34Å; H794-T796 PolarHBondContact O-N 2.89Å; T796-I799 PolarHBondContact O-N 3.31Å; T796-W800 WeakPolarHBondContact O-CB 3.5Å; T796-W800 PolarHBondContact O-N 3.29Å
797	S	97.7	Very high	95.6	Very high	1 Å²	1	11.7 Å²	11.7	1%	0.007	7%	0.071	C	C	.	.	H	α-helix	trans	-64.9	-42.7	174.1	-63.1	0	0	0	0	111.8	W63 P793 H794 W800 A801	W63-S797 VanDerWaalsContact CD2-CB 3.47Å; W63-S797 WeakPolarHBondContact CZ2-O 3.4Å; P793-S797 VanDerWaalsContact O-CB 3.28Å; P793-S797 WeakPolarHBondContact O-CB 3.41Å; P793-S797 PolarHBondContact O-N 3.15Å; P793-S797 PolarHBondContact O-OG 3.03Å; H794-S797 PolarHBondContact O-N 2.85Å; S797-W800 PolarHBondContact O-N 3.36Å; S797-A801 PolarHBondContact O-N 2.86Å
798	E	97.6	Very high	95.1	Very high	0 Å²	0	18.7 Å²	18.7	0%	0	10%	0.098	C	C	.	.	H	α-helix	trans	-66.5	-44.3	175.8	-175.7	69.1	-174.7	0	0	112.2	I40 Y41 S42 V59 W63 W696 H794 I795 W800 A801 G802	I40-E798 WeakPolarHBondContact CB-OE1 3.49Å; Y41-E798 VanDerWaalsContact CA-OE1 3.28Å; Y41-E798 WeakPolarHBondContact CA-OE1 3.43Å; Y41-E798 WeakPolarHBondContact CB-OE1 3.45Å; Y41-E798 PolarHBondContact N-OE1 3.48Å; S42-E798 VanDerWaalsContact CB-OE2 3.22Å; S42-E798 WeakPolarHBondContact CB-OE2 3.45Å; S42-E798 PolarHBondContact N-OE1 3.25Å; S42-E798 PolarHBondContact OG-OE2 2.63Å; V59-E798 HydrophobicContact CG1-CB 3.81Å; V59-E798 HydrophobicContact CG1-CG 4.43Å; V59-E798 HydrophobicContact CG2-CB 3.99Å; V59-E798 HydrophobicContact CG2-CG 3.67Å; W63-E798 PolarHBondContact NE1-OE2 3.19Å; W696-E798 HydrophobicContact CH2-CG 3.64Å; W696-E798 HydrophobicContact CZ3-CB 4.31Å; W696-E798 HydrophobicContact CZ3-CG 3.84Å; H794-E798 PolarHBondContact O-N 2.96Å; H794-E798 VanDerWaalsContact O-N 3.17Å; I795-E798 PolarHBondContact O-N 2.62Å; E798-W800 VanDerWaalsContact C-N 3.31Å; E798-W800 PolarHBondContact O-N 3.21Å; E798-A801 PolarHBondContact O-N 3.17Å; E798-G802 PolarHBondContact O-N 2.76Å
799	I	97.7	Very high	94.8	Very high	0 Å²	0	21.8 Å²	21.8	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-58.5	-47.3	175.2	-75.1	169.5	0	0	0	110	W47 L695 W696 T699 M785 I795 T796 A801 G802 L803	W47-I799 HydrophobicContact CH2-CG1 4.13Å; L695-I799 HydrophobicContact CB-CD1 3.96Å; W696-I799 HydrophobicContact CE3-CD1 4.31Å; W696-I799 HydrophobicContact CE3-CG1 3.92Å; W696-I799 HydrophobicContact CZ3-CG1 4.15Å; T699-I799 HydrophobicContact CG2-CB 4.49Å; T699-I799 HydrophobicContact CG2-CG2 3.79Å; T699-I799 WeakPolarHBondContact OG1-CG2 3.31Å; M785-I799 HydrophobicContact CE-CG2 4.37Å; M785-I799 HydrophobicContact CG-CG2 3.69Å; M785-I799 HydrophobicContact SD-CB 4.23Å; M785-I799 HydrophobicContact SD-CD1 3.93Å; M785-I799 HydrophobicContact SD-CG2 3.52Å; M785-I799 VanDerWaalsContact SD-CG2 3.52Å; I795-I799 HydrophobicContact CD1-CD1 4.29Å; I795-I799 HydrophobicContact CG1-CD1 3.91Å; I795-I799 HydrophobicContact CG1-CG1 4.48Å; I795-I799 WeakPolarHBondContact O-CB 3.06Å; I795-I799 WeakPolarHBondContact O-CG1 3.1Å; I795-I799 PolarHBondContact O-N 2.82Å; T796-I799 PolarHBondContact O-N 3.31Å; I799-A801 VanDerWaalsContact C-N 3.35Å; I799-A801 PolarHBondContact O-N 2.97Å; I799-G802 WeakPolarHBondContact O-CA 3.5Å; I799-G802 PolarHBondContact O-N 2.76Å; I799-G802 VanDerWaalsContact O-N 3.08Å; I799-L803 HydrophobicContact CG2-CD1 3.96Å; I799-L803 HydrophobicContact CG2-CG 4.22Å; I799-L803 WeakPolarHBondContact O-CG 3Å; I799-L803 PolarHBondContact O-N 2.84Å
800	W	97.4	Very high	94.6	Very high	5 Å²	5	24.4 Å²	24.4	2%	0.019	13%	0.125	C	C	.	.	H	α-helix	trans	-61.3	-42	-180	-170.2	-98.7	0	0	0	112.4	C782 M785 V786 T796 S797 E798 G802 L803 A804 Y814 W816 A818 V820 Q823	C782-W800 HydrophobicContact CB-CH2 4.13Å; C782-W800 HydrophobicContact CB-CZ3 3.79Å; M785-W800 HydrophobicContact CB-CE3 4.23Å; V786-W800 HydrophobicContact CG2-CH2 4.15Å; V786-W800 HydrophobicContact CG2-CZ3 3.89Å; T796-W800 WeakPolarHBondContact O-CB 3.5Å; T796-W800 PolarHBondContact O-N 3.29Å; S797-W800 PolarHBondContact O-N 3.36Å; E798-W800 VanDerWaalsContact C-N 3.31Å; E798-W800 PolarHBondContact O-N 3.21Å; W800-G802 VanDerWaalsContact C-N 3.28Å; W800-G802 PolarHBondContact O-N 3.33Å; W800-L803 HydrophobicContact CE3-CD1 4.32Å; W800-L803 PolarHBondContact O-N 3.47Å; W800-A804 VanDerWaalsContact O-CB 3.29Å; W800-A804 WeakPolarHBondContact O-CB 3.31Å; W800-A804 PolarHBondContact O-N 3.09Å; W800-Y814 AromaticContact CH2-CD1 3.62Å; W800-Y814 HydrophobicContact CH2-CD1 3.62Å; W800-Y814 HydrophobicContact CH2-CD2 4.4Å; W800-Y814 HydrophobicContact CH2-CE1 4.15Å; W800-Y814 AromaticContact CH2-CG 3.77Å; W800-Y814 HydrophobicContact CH2-CG 3.77Å; W800-Y814 HydrophobicContact CZ2-CD1 4.26Å; W800-Y814 HydrophobicContact CZ2-CG 4.31Å; W800-W816 HydrophobicContact CH2-CZ3 4.2Å; W800-W816 HydrophobicContact CZ2-CE3 4.14Å; W800-W816 HydrophobicContact CZ2-CZ3 4.2Å; W800-A818 PolarHBondContact NE1-O 3.21Å; W800-V820 HydrophobicContact CB-CB 3.7Å; W800-V820 HydrophobicContact CB-CG1 4.49Å; W800-V820 HydrophobicContact CB-CG2 4.22Å; W800-V820 HydrophobicContact CD2-CB 4.02Å; W800-V820 HydrophobicContact CD2-CG2 4.03Å; W800-V820 HydrophobicContact CE3-CB 4.46Å; W800-V820 HydrophobicContact CE3-CG2 3.97Å; W800-V820 HydrophobicContact CG-CB 3.66Å; W800-V820 HydrophobicContact CG-CG2 4.15Å; W800-Q823 HydrophobicContact CH2-CG 4.16Å; W800-Q823 HydrophobicContact CZ2-CG 3.68Å
801	A	95.2	Very high	94.4	Very high	23 Å²	23	24.9 Å²	24.9	19%	0.19	13%	0.128	C	C	.	.	H	α-helix	trans	-59.8	-39.7	173.6	0	0	0	0	0	112	Y41 W63 S797 E798 I799 A804	Y41-A801 HydrophobicContact CD1-CB 4.44Å; Y41-A801 WeakPolarHBondContact CE1-O 3.36Å; W63-A801 HydrophobicContact CH2-CB 4.33Å; W63-A801 HydrophobicContact CZ2-CB 3.84Å; S797-A801 PolarHBondContact O-N 2.86Å; E798-A801 PolarHBondContact O-N 3.17Å; I799-A801 VanDerWaalsContact C-N 3.35Å; I799-A801 PolarHBondContact O-N 2.97Å; A801-A804 PolarHBondContact O-N 2.85Å
802	G	93.6	Very high	94	Very high	1 Å²	1	29.6 Å²	29.6	1%	0.01	17%	0.167	C	C	.	.	H	α-helix	trans	-61	-47.2	171.8	0	0	0	0	0	113.1	E798 I799 W800 L805	E798-G802 PolarHBondContact O-N 2.76Å; I799-G802 WeakPolarHBondContact O-CA 3.5Å; I799-G802 PolarHBondContact O-N 2.76Å; I799-G802 VanDerWaalsContact O-N 3.08Å; W800-G802 VanDerWaalsContact C-N 3.28Å; W800-G802 PolarHBondContact O-N 3.33Å; G802-L805 PolarHBondContact O-N 2.87Å
803	L	93.9	Very high	93.8	Very high	2 Å²	2	35.6 Å²	35.6	1%	0.01	20%	0.195	C	C	.	.	H	α-helix	trans	-62.9	-40.7	177	-64.9	176.4	0	0	0	112	T699 F702 L781 M785 I799 W800 L805 V806 K809 W816	T699-L803 HydrophobicContact CG2-CD2 3.96Å; T699-L803 HydrophobicContact CG2-CG 4.24Å; F702-L803 HydrophobicContact CD1-CD2 3.54Å; F702-L803 HydrophobicContact CE1-CD2 3.95Å; L781-L803 HydrophobicContact CD2-CD2 3.94Å; M785-L803 HydrophobicContact CG-CD1 4.11Å; I799-L803 HydrophobicContact CG2-CD1 3.96Å; I799-L803 HydrophobicContact CG2-CG 4.22Å; I799-L803 WeakPolarHBondContact O-CG 3Å; I799-L803 PolarHBondContact O-N 2.84Å; W800-L803 HydrophobicContact CE3-CD1 4.32Å; W800-L803 PolarHBondContact O-N 3.47Å; L803-L805 PolarHBondContact O-N 3.44Å; L803-L805 VanDerWaalsContact O-N 3.17Å; L803-V806 VanDerWaalsContact O-CB 3.29Å; L803-V806 WeakPolarHBondContact O-CB 3.35Å; L803-V806 PolarHBondContact O-N 3.35Å; L803-V806 VanDerWaalsContact O-N 3.1Å; L803-K809 WeakPolarHBondContact O-CE 3.32Å; L803-W816 HydrophobicContact CB-CZ3 4.2Å
804	A	92.2	Very high	93.7	Very high	17 Å²	17	36.4 Å²	36.4	14%	0.14	20%	0.198	C	C	.	.	H	α-helix	trans	-63.9	-20.1	-177.5	0	0	0	0	0	114	W800 A801 K809 W816	W800-A804 VanDerWaalsContact O-CB 3.29Å; W800-A804 WeakPolarHBondContact O-CB 3.31Å; W800-A804 PolarHBondContact O-N 3.09Å; A801-A804 PolarHBondContact O-N 2.85Å; A804-K809 WeakPolarHBondContact O-CE 3.49Å; A804-K809 PolarHBondContact O-NZ 3.3Å; A804-W816 HydrophobicContact CB-CE3 4.24Å; A804-W816 WeakPolarHBondContact CB-O 3.39Å
805	L	87.1	Confident	93.5	Very high	116 Å²	116	39.8 Å²	39.8	61%	0.607	22%	0.222	S	C	*	.	T	Hydrogen-bonded Turn	trans	-101.2	0.2	178	-70	-169.4	0	0	0	113.7	Y41 G802 L803	Y41-L805 HydrophobicContact CE1-CB 4.11Å; Y41-L805 HydrophobicContact CE1-CD1 3.57Å; Y41-L805 HydrophobicContact CE1-CG 4.06Å; Y41-L805 WeakPolarHBondContact OH-CB 3.18Å; Y41-L805 WeakPolarHBondContact OH-CD1 3.42Å; Y41-L805 WeakPolarHBondContact OH-CG 3.47Å; G802-L805 PolarHBondContact O-N 2.87Å; L803-L805 PolarHBondContact O-N 3.44Å; L803-L805 VanDerWaalsContact O-N 3.17Å
806	V	88.2	Confident	93.3	Very high	5 Å²	5	41.7 Å²	41.7	3%	0.03	23%	0.229	C	C	.	.			trans	-61.9	127.3	170	171.7	0	0	0	0	109.9	F702 I703 R706 L803 K809	F702-V806 HydrophobicContact CD1-CG2 4.31Å; F702-V806 HydrophobicContact CE1-CB 4.4Å; F702-V806 HydrophobicContact CE1-CG1 4.05Å; F702-V806 HydrophobicContact CE1-CG2 4.11Å; F702-V806 HydrophobicContact CZ-CG1 4.43Å; I703-V806 HydrophobicContact CG1-CG2 3.87Å; R706-V806 HydrophobicContact CB-CG1 3.4Å; R706-V806 HydrophobicContact CG-CG1 3.49Å; R706-V806 VanDerWaalsContact CG-CG1 3.49Å; L803-V806 VanDerWaalsContact O-CB 3.29Å; L803-V806 WeakPolarHBondContact O-CB 3.35Å; L803-V806 PolarHBondContact O-N 3.35Å; L803-V806 VanDerWaalsContact O-N 3.1Å; V806-K809 WeakPolarHBondContact O-CE 3.14Å; V806-K809 WeakPolarHBondContact O-CG 3.46Å; V806-K809 PolarHBondContact O-NZ 2.92Å
807	P	85.9	Confident	92.9	Very high	74 Å²	74	50 Å²	50	48%	0.481	27%	0.274	S	S	.	.	S	Bend	trans	-72.4	155.2	178.3	30.5	-35.5	0	0	0	111.3	K809	P807-K809 PolarHBondContact O-N 3.2Å
808	R	88.8	Confident	92.7	Very high	147 Å²	147	51.3 Å²	51.3	56%	0.555	28%	0.284	S	S	*	.	S	Bend	trans	57.8	48.2	171.6	-54	172.9	179.7	157.2	-3.7	113.4	G709 A711 P712	G709-R808 PolarHBondContact O-NH1 2.84Å; A711-R808 VanDerWaalsContact CA-NH1 3.28Å; A711-R808 VanDerWaalsContact CB-NH1 3.33Å; P712-R808 HydrophobicContact CG-CB 3.81Å; P712-R808 WeakPolarHBondContact CG-O 3.49Å
809	K	92.2	Very high	92.5	Very high	65 Å²	65	52.3 Å²	52.3	28%	0.283	29%	0.292	S	S	.	.			trans	-60.3	141.2	174.6	-51.5	-177.4	-174.4	57.3	0	110.2	E778 L803 A804 V806 P807 W816	E778-K809 WeakPolarHBondContact OE1-CA 3.44Å; L803-K809 WeakPolarHBondContact O-CE 3.32Å; A804-K809 WeakPolarHBondContact O-CE 3.49Å; A804-K809 PolarHBondContact O-NZ 3.3Å; V806-K809 WeakPolarHBondContact O-CE 3.14Å; V806-K809 WeakPolarHBondContact O-CG 3.46Å; V806-K809 PolarHBondContact O-NZ 2.92Å; P807-K809 PolarHBondContact O-N 3.2Å; K809-W816 HydrophobicContact CB-CZ2 4.19Å; K809-W816 HydrophobicContact CD-CD2 3.28Å; K809-W816 HydrophobicContact CD-CE3 3.71Å; K809-W816 HydrophobicContact CD-CG 3.65Å; K809-W816 HydrophobicContact CD-CH2 3.95Å; K809-W816 HydrophobicContact CD-CZ2 3.61Å; K809-W816 HydrophobicContact CD-CZ3 4.02Å; K809-W816 HydrophobicContact CG-CZ2 4.38Å
810	L	93.6	Very high	92.5	Very high	56 Å²	56	52.3 Å²	52.3	29%	0.293	29%	0.292	S	S	.	.	S	Bend	trans	-93.3	-25.7	179.8	-63	174.4	0	0	0	112.7	P712 P714 P775 E778	P712-L810 HydrophobicContact CB-CD1 3.87Å; P712-L810 HydrophobicContact CB-CD2 3.63Å; P712-L810 HydrophobicContact CB-CG 3.94Å; P712-L810 HydrophobicContact CG-CD2 3.92Å; P712-L810 HydrophobicContact CG-CG 4.22Å; P714-L810 HydrophobicContact CG-CD1 4.37Å; P714-L810 HydrophobicContact CG-CD2 4.42Å; P775-L810 HydrophobicContact CB-CB 3.97Å; P775-L810 HydrophobicContact CB-CD1 4.15Å; E778-L810 PolarHBondContact OE1-N 2.87Å; E778-L810 PolarHBondContact OE2-N 3.06Å
811	C	92.8	Very high	92.4	Very high	10 Å²	10	52.9 Å²	52.9	7%	0.068	30%	0.295	C	S	.	.			trans	-94	111.7	-178.5	-59.8	0	0	0	0	111.1	E778 Y814 W816	E778-C811 PolarHBondContact OE1-N 3.43Å; C811-Y814 HydrophobicContact CB-CD2 3.87Å; C811-Y814 HydrophobicContact CB-CE2 4.14Å; C811-W816 HydrophobicContact CB-CZ2 4.35Å; C811-W816 PolarHBondContact O-NE1 3.26Å
812	A	90.7	Very high	92.3	Very high	99 Å²	99	56.8 Å²	56.8	82%	0.818	31%	0.312	S	S	*	.			trans	-89	-14.4	-178.1	0	0	0	0	0	114.7	Y814	A812-Y814 VanDerWaalsContact C-N 3.33Å; A812-Y814 PolarHBondContact O-N 2.85Å
813	H	93.1	Very high	92.5	Very high	125 Å²	125	57 Å²	57	58%	0.579	31%	0.313	S	S	*	.	S	Bend	trans	-81.9	-9.4	-174.3	67	-95.3	0	0	0	113.9	D779	D779-H813 IonicContact OD1-CE1 3.25Å; D779-H813 PolarHBondContact OD1-CE1 3.15Å; D779-H813 IonicContact OD1-NE2 3.94Å; D779-H813 PolarHBondContact OD1-NE2 2.85Å
814	Y	95.6	Very high	92.6	Very high	17 Å²	17	60.6 Å²	60.6	7%	0.067	34%	0.343	C	S	.	.	S	Bend	trans	-85	141.5	172.1	-67.8	-64.8	0	0	0	111.2	D779 C782 A783 V786 W800 C811 A812 W816	D779-Y814 PolarHBondContact O-OH 2.89Å; D779-Y814 PolarHBondContact OD1-OH 2.69Å; C782-Y814 HydrophobicContact CB-CD2 3.91Å; C782-Y814 HydrophobicContact CB-CE1 4.13Å; C782-Y814 HydrophobicContact CB-CE2 3.24Å; C782-Y814 WeakPolarHBondContact CB-OH 3.45Å; A783-Y814 PolarHBondContact N-OH 3Å; A783-Y814 VanDerWaalsContact N-OH 3.16Å; V786-Y814 HydrophobicContact CG2-CE1 4.19Å; W800-Y814 AromaticContact CH2-CD1 3.62Å; W800-Y814 HydrophobicContact CH2-CD1 3.62Å; W800-Y814 HydrophobicContact CH2-CD2 4.4Å; W800-Y814 HydrophobicContact CH2-CE1 4.15Å; W800-Y814 AromaticContact CH2-CG 3.77Å; W800-Y814 HydrophobicContact CH2-CG 3.77Å; W800-Y814 HydrophobicContact CZ2-CD1 4.26Å; W800-Y814 HydrophobicContact CZ2-CG 4.31Å; C811-Y814 HydrophobicContact CB-CD2 3.87Å; C811-Y814 HydrophobicContact CB-CE2 4.14Å; A812-Y814 VanDerWaalsContact C-N 3.33Å; A812-Y814 PolarHBondContact O-N 2.85Å; Y814-W816 HydrophobicContact CD2-CH2 4.36Å; Y814-W816 AromaticContact CD2-CZ2 3.97Å; Y814-W816 HydrophobicContact CD2-CZ2 3.97Å; Y814-W816 HydrophobicContact CG-CZ2 4.42Å; Y814-W816 VanDerWaalsContact O-CD1 3.26Å; Y814-W816 PolarHBondContact O-N 3.1Å; Y814-W816 VanDerWaalsContact O-N 3.13Å
815	S	94.6	Very high	92.9	Very high	72 Å²	72	60.9 Å²	60.9	50%	0.503	34%	0.34	S	S	.	.			trans	-84.9	83.9	174.5	-64.4	0	0	0	0	109.4	D817 A818 Q823	S815-D817 PolarHBondContact O-N 3.37Å; S815-A818 WeakPolarHBondContact O-CB 3.43Å; S815-A818 PolarHBondContact O-N 2.99Å; S815-Q823 PolarHBondContact O-NE2 2.7Å
816	W	93.1	Very high	93.4	Very high	40 Å²	40	56.2 Å²	56.2	15%	0.152	32%	0.317	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.2	-25.2	-171.7	-64.6	106.8	0	0	0	115.1	C782 W800 L803 A804 K809 C811 Y814 A818	C782-W816 WeakPolarHBondContact SG-CH2 3.5Å; W800-W816 HydrophobicContact CH2-CZ3 4.2Å; W800-W816 HydrophobicContact CZ2-CE3 4.14Å; W800-W816 HydrophobicContact CZ2-CZ3 4.2Å; L803-W816 HydrophobicContact CB-CZ3 4.2Å; A804-W816 HydrophobicContact CB-CE3 4.24Å; A804-W816 WeakPolarHBondContact CB-O 3.39Å; K809-W816 HydrophobicContact CB-CZ2 4.19Å; K809-W816 HydrophobicContact CD-CD2 3.28Å; K809-W816 HydrophobicContact CD-CE3 3.71Å; K809-W816 HydrophobicContact CD-CG 3.65Å; K809-W816 HydrophobicContact CD-CH2 3.95Å; K809-W816 HydrophobicContact CD-CZ2 3.61Å; K809-W816 HydrophobicContact CD-CZ3 4.02Å; K809-W816 HydrophobicContact CG-CZ2 4.38Å; C811-W816 HydrophobicContact CB-CZ2 4.35Å; C811-W816 PolarHBondContact O-NE1 3.26Å; Y814-W816 HydrophobicContact CD2-CH2 4.36Å; Y814-W816 AromaticContact CD2-CZ2 3.97Å; Y814-W816 HydrophobicContact CD2-CZ2 3.97Å; Y814-W816 HydrophobicContact CG-CZ2 4.42Å; Y814-W816 VanDerWaalsContact O-CD1 3.26Å; Y814-W816 PolarHBondContact O-N 3.1Å; Y814-W816 VanDerWaalsContact O-N 3.13Å; W816-A818 VanDerWaalsContact C-N 3.27Å
817	D	91	Very high	93.7	Very high	175 Å²	175	59.8 Å²	59.8	94%	0.936	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.7	-7.7	175.8	-58.3	-46.9	0	0	0	113	S815	S815-D817 PolarHBondContact O-N 3.37Å
818	A	92.5	Very high	94.1	Very high	28 Å²	28	57.9 Å²	57.9	23%	0.231	33%	0.334	C	S	.	.	S	Bend	trans	-101.3	151.3	-179.8	0	0	0	0	0	112.1	W800 S815 W816 L822 Q823	W800-A818 PolarHBondContact NE1-O 3.21Å; S815-A818 WeakPolarHBondContact O-CB 3.43Å; S815-A818 PolarHBondContact O-N 2.99Å; W816-A818 VanDerWaalsContact C-N 3.27Å; A818-L822 HydrophobicContact CB-CB 4.12Å; A818-L822 HydrophobicContact CB-CD1 4.37Å; A818-Q823 PolarHBondContact O-NE2 2.81Å
819	S	93.3	Very high	94.4	Very high	22 Å²	22	53.3 Å²	53.3	15%	0.154	32%	0.32	C	S	.	.			trans	-58.1	152.8	172.4	171	0	0	0	0	111.8	Q70 L821 L822 Q823	Q70-S819 PolarHBondContact OE1-OG 3.46Å; S819-L821 PolarHBondContact O-N 2.93Å; S819-L822 WeakPolarHBondContact O-CB 3.34Å; S819-L822 PolarHBondContact O-N 2.75Å; S819-Q823 PolarHBondContact O-N 2.81Å; S819-Q823 PolarHBondContact O-NE2 2.87Å
820	V	97.1	Very high	94.4	Very high	0 Å²	0	54.8 Å²	54.8	0%	0	34%	0.336	C	S	.	.	G	3₁₀ helix	trans	-56.8	-35.7	178	70.3	0	0	0	0	112.3	V786 A789 W800 L822 Q823	V786-V820 HydrophobicContact CG2-CG2 4.21Å; A789-V820 HydrophobicContact CB-CB 4.46Å; A789-V820 HydrophobicContact CB-CG1 3.81Å; A789-V820 HydrophobicContact CB-CG2 3.86Å; W800-V820 HydrophobicContact CB-CB 3.7Å; W800-V820 HydrophobicContact CB-CG1 4.49Å; W800-V820 HydrophobicContact CB-CG2 4.22Å; W800-V820 HydrophobicContact CD2-CB 4.02Å; W800-V820 HydrophobicContact CD2-CG2 4.03Å; W800-V820 HydrophobicContact CE3-CB 4.46Å; W800-V820 HydrophobicContact CE3-CG2 3.97Å; W800-V820 HydrophobicContact CG-CB 3.66Å; W800-V820 HydrophobicContact CG-CG2 4.15Å; V820-L822 PolarHBondContact O-N 3.43Å; V820-Q823 WeakPolarHBondContact O-CB 3.42Å; V820-Q823 WeakPolarHBondContact O-CG 3.49Å; V820-Q823 PolarHBondContact O-N 3.41Å
821	L	95.6	Very high	94.2	Very high	16 Å²	16	56.5 Å²	56.5	8%	0.084	34%	0.343	C	S	.	.	G	3₁₀ helix	trans	-75.7	-6.3	179.1	-71.7	171.1	0	0	0	113.5	I67 R113 M117 A789 P793 S819	I67-L821 HydrophobicContact CD1-CD1 4.46Å; I67-L821 HydrophobicContact CG1-CD1 4.12Å; I67-L821 HydrophobicContact CG2-CD1 3.78Å; R113-L821 HydrophobicContact CG-CD2 4.47Å; R113-L821 VanDerWaalsContact NH1-CD1 3.34Å; M117-L821 HydrophobicContact SD-CD2 4.25Å; A789-L821 HydrophobicContact CB-CD2 3.9Å; A789-L821 HydrophobicContact CB-CG 4.49Å; P793-L821 HydrophobicContact CB-CD1 3.96Å; P793-L821 HydrophobicContact CB-CD2 4.38Å; S819-L821 PolarHBondContact O-N 2.93Å
822	L	94.6	Very high	93.9	Very high	105 Å²	105	59.3 Å²	59.3	55%	0.55	35%	0.354	S	S	.	.	G	3₁₀ helix	trans	-101	-4	171.4	-63.2	179.9	0	0	0	112.5	Q70 A818 S819 V820	Q70-L822 HydrophobicContact CG-CD1 4.45Å; Q70-L822 HydrophobicContact CG-CD2 3.85Å; Q70-L822 HydrophobicContact CG-CG 4.2Å; A818-L822 HydrophobicContact CB-CB 4.12Å; A818-L822 HydrophobicContact CB-CD1 4.37Å; S819-L822 WeakPolarHBondContact O-CB 3.34Å; S819-L822 PolarHBondContact O-N 2.75Å; V820-L822 PolarHBondContact O-N 3.43Å
823	Q	96.8	Very high	93.5	Very high	6 Å²	6	60.6 Å²	60.6	3%	0.028	35%	0.347	C	S	.	.	S	Bend	trans	-69.7	146.2	173.9	-56.7	-56.3	-51.4	0	0	109.7	V786 W800 S815 A818 S819 V820	V786-Q823 HydrophobicContact CG1-CB 4.15Å; V786-Q823 HydrophobicContact CG2-CB 3.97Å; V786-Q823 HydrophobicContact CG2-CG 4.1Å; W800-Q823 HydrophobicContact CH2-CG 4.16Å; W800-Q823 HydrophobicContact CZ2-CG 3.68Å; S815-Q823 PolarHBondContact O-NE2 2.7Å; A818-Q823 PolarHBondContact O-NE2 2.81Å; S819-Q823 PolarHBondContact O-N 2.81Å; S819-Q823 PolarHBondContact O-NE2 2.87Å; V820-Q823 WeakPolarHBondContact O-CB 3.42Å; V820-Q823 WeakPolarHBondContact O-CG 3.49Å; V820-Q823 PolarHBondContact O-N 3.41Å
824	A	96.6	Very high	92.8	Very high	77 Å²	77	60.9 Å²	60.9	64%	0.636	35%	0.348	S	S	*	.	P	Polyproline II helix	trans	-62.3	141.7	166.3	0	0	0	0	0	109.6	M117	M117-A824 CarbonylContact O-C 3.56Å; M117-A824 WeakPolarHBondContact O-CA 3.35Å
825	W	97.9	Very high	91.5	Very high	24 Å²	24	64.2 Å²	64.2	9%	0.091	37%	0.372	C	S	.	.	P	Polyproline II helix	trans	-57.8	133	170.8	-172.6	-96.7	0	0	0	109.6	F114 M117 R118 V739 T740 F743 M787 P790 A827	F114-W825 AromaticContact CD2-CD2 3.76Å; F114-W825 HydrophobicContact CD2-CD2 3.76Å; F114-W825 AromaticContact CD2-CE2 3.86Å; F114-W825 AromaticContact CD2-CE3 3.71Å; F114-W825 HydrophobicContact CD2-CE3 3.71Å; F114-W825 AromaticContact CD2-CH2 3.8Å; F114-W825 HydrophobicContact CD2-CH2 3.8Å; F114-W825 AromaticContact CD2-CZ2 3.88Å; F114-W825 HydrophobicContact CD2-CZ2 3.88Å; F114-W825 AromaticContact CD2-CZ3 3.73Å; F114-W825 HydrophobicContact CD2-CZ3 3.73Å; F114-W825 AromaticContact CE2-CD2 3.73Å; F114-W825 HydrophobicContact CE2-CD2 3.73Å; F114-W825 AromaticContact CE2-CE2 3.5Å; F114-W825 VanDerWaalsContact CE2-CE2 3.5Å; F114-W825 HydrophobicContact CE2-CE3 4.17Å; F114-W825 HydrophobicContact CE2-CG 4.21Å; F114-W825 HydrophobicContact CE2-CH2 4.13Å; F114-W825 AromaticContact CE2-CZ2 3.71Å; F114-W825 HydrophobicContact CE2-CZ2 3.71Å; F114-W825 HydrophobicContact CE2-CZ3 4.36Å; F114-W825 AromaticContact CE2-NE1 3.84Å; M117-W825 HydrophobicContact CB-CB 4.28Å; M117-W825 HydrophobicContact CB-CE3 4.46Å; M117-W825 HydrophobicContact CE-CE3 4.36Å; M117-W825 PolarHBondContact O-N 3.39Å; R118-W825 HydrophobicContact CG-CB 3.82Å; R118-W825 HydrophobicContact CG-CG 4.09Å; V739-W825 HydrophobicContact CG1-CH2 4.07Å; V739-W825 HydrophobicContact CG1-CZ2 3.83Å; T740-W825 PolarHBondContact OG1-NE1 3.45Å; F743-W825 HydrophobicContact CE2-CH2 4.48Å; M787-W825 HydrophobicContact CB-CH2 3.83Å; M787-W825 HydrophobicContact CB-CZ2 4.3Å; M787-W825 HydrophobicContact CB-CZ3 4.33Å; M787-W825 HydrophobicContact CG-CH2 3.76Å; M787-W825 HydrophobicContact CG-CZ2 3.75Å; M787-W825 HydrophobicContact CG-CZ3 4.3Å; M787-W825 HydrophobicContact SD-CZ2 4.4Å; P790-W825 HydrophobicContact CG-CZ3 3.86Å; W825-A827 PolarHBondContact O-N 2.96Å
826	P	97.2	Very high	90.3	Very high	17 Å²	17	64.5 Å²	64.5	11%	0.11	37%	0.372	C	S	.	.	P	Polyproline II helix	trans	-64.4	136.4	-175.1	26.6	-34.5	0	0	0	110.7	I736 A783 M787	I736-P826 HydrophobicContact CD1-CB 3.86Å; I736-P826 HydrophobicContact CD1-CG 4.34Å; I736-P826 HydrophobicContact CG1-CB 4.15Å; I736-P826 HydrophobicContact CG1-CG 4.08Å; I736-P826 HydrophobicContact CG2-CG 4.48Å; I736-P826 WeakPolarHBondContact CG2-O 3.4Å; A783-P826 HydrophobicContact CB-CB 4.36Å; A783-P826 HydrophobicContact CB-CG 4.49Å; M787-P826 HydrophobicContact CG-CG 3.65Å; M787-P826 HydrophobicContact SD-CG 4.22Å
827	A	94.7	Very high	89.4	Confident	81 Å²	81	70.9 Å²	70.9	67%	0.669	40%	0.404	S	S	*	.	P	Polyproline II helix	trans	-93.3	151.6	173.4	0	0	0	0	0	110.5	W825 D829	W825-A827 PolarHBondContact O-N 2.96Å; A827-D829 PolarHBondContact O-N 3.18Å
828	V	95.4	Very high	88.9	Confident	33 Å²	33	67.1 Å²	67.1	20%	0.2	38%	0.383	C	S	.	.	P	Polyproline II helix	trans	-65.8	130	168.6	-177.6	0	0	0	0	108	N733 I736 A737 F832 L833	N733-V828 HydrophobicContact CB-CG1 4.23Å; I736-V828 HydrophobicContact CB-CG2 4.32Å; I736-V828 HydrophobicContact CG2-CG2 3.86Å; A737-V828 HydrophobicContact CB-CG2 3.83Å; V828-F832 HydrophobicContact CG1-CB 4.32Å; V828-F832 HydrophobicContact CG1-CD1 3.7Å; V828-F832 HydrophobicContact CG1-CG 4.42Å; V828-L833 HydrophobicContact CG1-CD1 4.45Å; V828-L833 HydrophobicContact CG1-CD2 3.93Å; V828-L833 HydrophobicContact CG1-CG 3.97Å
829	D	93.6	Very high	88.5	Confident	51 Å²	51	67.3 Å²	67.3	27%	0.273	38%	0.379	S	S	.	.	P	Polyproline II helix	trans	-59.5	125.1	175.4	-167.3	-36.5	0	0	0	109.9	W729 N733 A827 E831 F832	W729-D829 HydrophobicContact CZ2-CB 3.88Å; W729-D829 PolarHBondContact NE1-OD2 2.62Å; N733-D829 VanDerWaalsContact OD1-CB 3.31Å; N733-D829 WeakPolarHBondContact OD1-CB 3.48Å; N733-D829 PolarHBondContact OD1-N 2.82Å; A827-D829 PolarHBondContact O-N 3.18Å; D829-E831 PolarHBondContact O-N 2.82Å; D829-E831 VanDerWaalsContact O-N 3.13Å; D829-E831 WeakPolarHBondContact OD1-CB 3.46Å; D829-E831 PolarHBondContact OD1-N 3.06Å; D829-F832 HydrophobicContact CB-CB 4.42Å; D829-F832 WeakPolarHBondContact O-CB 3.39Å; D829-F832 PolarHBondContact O-N 2.98Å
830	P	91.9	Very high	88.4	Confident	96 Å²	96	71.1 Å²	71.1	62%	0.623	40%	0.395	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.8	-29.9	177.7	-27.1	35.6	0	0	0	113.8	F832 L833 Q834	P830-F832 VanDerWaalsContact C-N 3.29Å; P830-F832 PolarHBondContact O-N 3.36Å; P830-L833 PolarHBondContact O-N 3.14Å; P830-Q834 PolarHBondContact O-N 3.43Å
831	E	89.4	Confident	88.2	Confident	93 Å²	93	71.1 Å²	71.1	44%	0.435	40%	0.395	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.1	-33.5	176.1	-168.9	-166.8	142.2	0	0	111.6	R726 W729 D829 L833 Q834	R726-E831 IonicContact CZ-OE1 3.84Å; R726-E831 VanDerWaalsContact CZ-OE1 3.25Å; R726-E831 IonicContact NH1-OE1 3.76Å; R726-E831 PolarHBondContact NH1-OE1 2.96Å; R726-E831 IonicContact NH1-OE2 2.71Å; R726-E831 IonicContact NH2-OE1 3.78Å; R726-E831 PolarHBondContact NH2-OE1 3.43Å; W729-E831 HydrophobicContact CH2-CB 4.21Å; W729-E831 HydrophobicContact CH2-CG 4.29Å; W729-E831 HydrophobicContact CZ2-CB 4.03Å; W729-E831 HydrophobicContact CZ2-CG 4.46Å; D829-E831 PolarHBondContact O-N 2.82Å; D829-E831 VanDerWaalsContact O-N 3.13Å; D829-E831 WeakPolarHBondContact OD1-CB 3.46Å; D829-E831 PolarHBondContact OD1-N 3.06Å; E831-L833 VanDerWaalsContact C-N 3.26Å; E831-L833 PolarHBondContact O-N 3.49Å; E831-Q834 WeakPolarHBondContact O-CB 3.33Å; E831-Q834 PolarHBondContact O-N 2.93Å
832	F	87.4	Confident	88.2	Confident	68 Å²	68	71.3 Å²	71.3	30%	0.298	40%	0.399	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.8	-27.6	176.4	179.1	-99	0	0	0	112.6	W729 E730 N733 V828 D829 P830 Q834	W729-F832 HydrophobicContact CH2-CB 3.67Å; W729-F832 HydrophobicContact CH2-CD2 4.29Å; W729-F832 HydrophobicContact CZ2-CB 3.97Å; W729-F832 HydrophobicContact CZ3-CB 4.32Å; W729-F832 HydrophobicContact CZ3-CD2 4.1Å; E730-F832 HydrophobicContact CB-CE2 4.22Å; E730-F832 WeakPolarHBondContact O-CE2 3.36Å; N733-F832 HydrophobicContact CB-CB 3.83Å; N733-F832 HydrophobicContact CB-CD1 3.66Å; N733-F832 HydrophobicContact CB-CD2 3.74Å; N733-F832 HydrophobicContact CB-CE1 4.12Å; N733-F832 HydrophobicContact CB-CE2 4.2Å; N733-F832 HydrophobicContact CB-CG 3.44Å; N733-F832 VanDerWaalsContact CB-CG 3.44Å; N733-F832 HydrophobicContact CB-CZ 4.37Å; V828-F832 HydrophobicContact CG1-CB 4.32Å; V828-F832 HydrophobicContact CG1-CD1 3.7Å; V828-F832 HydrophobicContact CG1-CG 4.42Å; D829-F832 HydrophobicContact CB-CB 4.42Å; D829-F832 WeakPolarHBondContact O-CB 3.39Å; D829-F832 PolarHBondContact O-N 2.98Å; P830-F832 VanDerWaalsContact C-N 3.29Å; P830-F832 PolarHBondContact O-N 3.36Å; F832-Q834 VanDerWaalsContact C-N 3.28Å
833	L	81.9	Confident	88.3	Confident	126 Å²	126	66.4 Å²	66.4	66%	0.66	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.7	-12.2	177.8	-62.1	176	0	0	0	112.7	V828 P830 E831	V828-L833 HydrophobicContact CG1-CD1 4.45Å; V828-L833 HydrophobicContact CG1-CD2 3.93Å; V828-L833 HydrophobicContact CG1-CG 3.97Å; P830-L833 PolarHBondContact O-N 3.14Å; E831-L833 VanDerWaalsContact C-N 3.26Å; E831-L833 PolarHBondContact O-N 3.49Å
834	Q	79.8	Confident	88.3	Confident	132 Å²	132	67.5 Å²	67.5	62%	0.617	38%	0.379	S	S	*	.	S	Bend	trans	-72.8	132.9	175.3	-62.6	-175.7	2.8	0	0	109.4	P830 E831 F832	P830-Q834 PolarHBondContact O-N 3.43Å; E831-Q834 WeakPolarHBondContact O-CB 3.33Å; E831-Q834 PolarHBondContact O-N 2.93Å; F832-Q834 VanDerWaalsContact C-N 3.28Å
835	P	67.1	Low	88.2	Confident	86 Å²	86	64.6 Å²	64.6	56%	0.558	35%	0.352	S	S	*	.	P	Polyproline II helix	trans	-59.5	135	175.2	23.3	-30.7	0	0	0	109.3	Q857	P835-Q857 HydrophobicContact CB-CG 3.97Å; P835-Q857 HydrophobicContact CG-CG 4.47Å
836	P	68.8	Low	87.9	Confident	79 Å²	79	66.1 Å²	66.1	51%	0.513	36%	0.363	S	S	.	.	P	Polyproline II helix	trans	-62.7	141.6	-178.1	27.8	-34.6	0	0	0	109.2	I838 Q857	P836-I838 PolarHBondContact O-N 3.18Å; P836-Q857 VanDerWaalsContact O-CB 3.27Å; P836-Q857 WeakPolarHBondContact O-CB 3.44Å; P836-Q857 PolarHBondContact O-OE1 3.08Å
837	E	75.9	Confident	87.7	Confident	174 Å²	174	71 Å²	71	81%	0.813	39%	0.387	S	S	*	.	S	Bend	trans	-56.7	-26.6	177.7	-69.6	-174.2	163.2	0	0	112.6	P856 Q857	E837-P856 CarbonylContact O-C 3.53Å; E837-P856 VanDerWaalsContact O-CA 3.29Å; E837-P856 WeakPolarHBondContact O-CA 3.25Å; E837-Q857 PolarHBondContact O-N 3.33Å
838	I	80.3	Confident	87.6	Confident	96 Å²	96	74.6 Å²	74.6	49%	0.492	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	124.5	179.9	-57.9	177.2	0	0	0	109.7	P836 P854 V855	P836-I838 PolarHBondContact O-N 3.18Å; I838-P854 HydrophobicContact CG2-CB 3.47Å; I838-P854 VanDerWaalsContact CG2-CB 3.47Å; I838-V855 CarbonylContact C-O 3.5Å; I838-V855 WeakPolarHBondContact CA-O 3.48Å
839	I	83.8	Confident	87.6	Confident	31 Å²	31	77.4 Å²	77.4	16%	0.159	41%	0.414	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	138.7	173.5	-47.5	-176.6	0	0	0	110.5	M841 P854 V855 Q857 A860 A895	I839-M841 PolarHBondContact O-N 3.18Å; I839-P854 CarbonylContact O-C 3.53Å; I839-V855 PolarHBondContact N-O 2.7Å; I839-V855 PolarHBondContact O-N 3.49Å; I839-Q857 HydrophobicContact CD1-CB 4.5Å; I839-Q857 HydrophobicContact CD1-CG 4.48Å; I839-Q857 HydrophobicContact CG1-CB 4.32Å; I839-A860 HydrophobicContact CB-CB 4.41Å; I839-A860 HydrophobicContact CD1-CB 3.28Å; I839-A860 HydrophobicContact CG1-CB 4.08Å; I839-A895 HydrophobicContact CG2-CB 3.33Å
840	Q	90.2	Very high	87.6	Confident	102 Å²	102	77 Å²	77	48%	0.477	42%	0.416	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	95.1	168.4	-66.9	-64.9	-38.8	0	0	110.5	A842 K852 I853	Q840-A842 PolarHBondContact O-N 3.07Å; Q840-K852 HydrophobicContact CB-CB 4.44Å; Q840-K852 HydrophobicContact CB-CD 4.18Å; Q840-I853 CarbonylContact C-O 3.55Å; Q840-I853 WeakPolarHBondContact CA-O 3.46Å
841	M	92.7	Very high	87.6	Confident	1 Å²	1	74 Å²	74	1%	0.005	40%	0.402	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	115.7	179.5	-175.1	65.7	62.8	0	0	110.5	I839 K852 I853 V855 A860 V866 L890 A895 L896 I897	I839-M841 PolarHBondContact O-N 3.18Å; M841-K852 CarbonylContact O-C 3.49Å; M841-K852 VanDerWaalsContact O-CA 3.24Å; M841-K852 WeakPolarHBondContact O-CA 3.2Å; M841-I853 HydrophobicContact CB-CG1 4.1Å; M841-I853 PolarHBondContact N-O 3.08Å; M841-I853 PolarHBondContact O-N 3.07Å; M841-V855 HydrophobicContact CB-CB 4.32Å; M841-V855 HydrophobicContact CB-CG2 3.54Å; M841-V855 HydrophobicContact CG-CG2 4.24Å; M841-A860 HydrophobicContact CE-CB 4Å; M841-V866 HydrophobicContact CE-CG1 3.86Å; M841-V866 HydrophobicContact CE-CG2 3.95Å; M841-V866 HydrophobicContact CG-CG1 3.85Å; M841-V866 HydrophobicContact SD-CG1 4.08Å; M841-L890 HydrophobicContact CE-CD1 3.82Å; M841-L890 HydrophobicContact SD-CD1 3.8Å; M841-A895 HydrophobicContact CE-CB 4.48Å; M841-A895 HydrophobicContact SD-CB 4.4Å; M841-L896 VanDerWaalsContact SD-C 3.6Å; M841-L896 PolarHBondContact SD-N 3.11Å; M841-I897 HydrophobicContact CG-CG2 3.87Å; M841-I897 HydrophobicContact SD-CB 4.4Å; M841-I897 HydrophobicContact SD-CG2 4.35Å
842	A	95.9	Very high	87.9	Confident	20 Å²	20	76.3 Å²	76.3	17%	0.165	41%	0.41	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.4	131	173.7	0	0	0	0	0	110.9	Q840 L844 K852 A895 L896 I897	Q840-A842 PolarHBondContact O-N 3.07Å; A842-L844 HydrophobicContact CB-CD1 4.45Å; A842-K852 HydrophobicContact CB-CG 4.32Å; A842-A895 PolarHBondContact N-O 3.36Å; A842-L896 HydrophobicContact CB-CB 4.3Å; A842-L896 HydrophobicContact CB-CD1 4.39Å; A842-L896 HydrophobicContact CB-CG 4.33Å; A842-L896 CarbonylContact O-C 3.49Å; A842-L896 VanDerWaalsContact O-CA 3.31Å; A842-L896 WeakPolarHBondContact O-CA 3.12Å; A842-I897 PolarHBondContact O-N 3.06Å
843	V	96.1	Very high	88.2	Confident	2 Å²	2	73.5 Å²	73.5	1%	0.012	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	121.5	-179.8	-176.6	0	0	0	0	109	C850 G851 I853 V870 L875 I897 F899	V843-C850 PolarHBondContact O-N 3.39Å; V843-G851 PolarHBondContact N-O 3.06Å; V843-I853 HydrophobicContact CG2-CG1 4.36Å; V843-I853 HydrophobicContact CG2-CG2 4.3Å; V843-V870 HydrophobicContact CG1-CG1 3.79Å; V843-V870 HydrophobicContact CG2-CG1 3.87Å; V843-V870 HydrophobicContact CG2-CG2 4.03Å; V843-L875 HydrophobicContact CB-CD2 3.88Å; V843-L875 HydrophobicContact CG1-CD2 4.4Å; V843-L875 HydrophobicContact CG2-CD2 4.02Å; V843-I897 WeakPolarHBondContact CA-O 3.2Å; V843-I897 HydrophobicContact CG2-CG2 4.27Å; V843-F899 HydrophobicContact CG1-CD2 4.12Å; V843-F899 HydrophobicContact CG1-CE2 4.2Å
844	L	96.9	Very high	88.6	Confident	28 Å²	28	71 Å²	71	15%	0.147	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	145.7	172.4	-78.9	63.2	0	0	0	109.8	A842 K848 L896 I897 N898 F899	A842-L844 HydrophobicContact CB-CD1 4.45Å; L844-K848 CarbonylContact C-O 3.59Å; L844-K848 WeakPolarHBondContact CA-O 3.44Å; L844-L896 HydrophobicContact CD1-CD1 3.52Å; L844-L896 HydrophobicContact CD1-CD2 4.36Å; L844-L896 HydrophobicContact CD1-CG 3.81Å; L844-L896 HydrophobicContact CD2-CD1 4.09Å; L844-L896 HydrophobicContact CG-CD1 4.47Å; L844-I897 PolarHBondContact N-O 3.21Å; L844-N898 HydrophobicContact CB-CB 3.99Å; L844-N898 VanDerWaalsContact CB-OD1 3.27Å; L844-N898 WeakPolarHBondContact CB-OD1 3.35Å; L844-N898 CarbonylContact O-C 3.53Å; L844-N898 WeakPolarHBondContact O-CA 3.27Å; L844-N898 PolarHBondContact O-OD1 3.42Å; L844-F899 PolarHBondContact O-N 3.13Å
845	I	94.3	Very high	89.1	Confident	16 Å²	16	64.7 Å²	64.7	8%	0.082	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	122.4	171	-57.6	177.3	0	0	0	107.7	N847 K848 C850 L879 L880 F899 V901	I845-N847 PolarHBondContact O-N 3.24Å; I845-K848 PolarHBondContact N-O 3.12Å; I845-K848 WeakPolarHBondContact O-CB 3.43Å; I845-K848 PolarHBondContact O-N 3.04Å; I845-C850 HydrophobicContact CD1-CB 4.44Å; I845-C850 HydrophobicContact CG1-CB 4.47Å; I845-L879 HydrophobicContact CD1-CB 3.58Å; I845-L879 HydrophobicContact CD1-CD1 4.26Å; I845-L880 HydrophobicContact CD1-CD2 3.54Å; I845-L880 HydrophobicContact CD1-CG 3.86Å; I845-L880 HydrophobicContact CG1-CD2 3.91Å; I845-L880 HydrophobicContact CG2-CD2 4.46Å; I845-F899 CarbonylContact C-O 3.51Å; I845-F899 WeakPolarHBondContact CA-O 3.4Å; I845-F899 HydrophobicContact CG1-CB 4.41Å; I845-V901 HydrophobicContact CG2-CB 4.38Å; I845-V901 HydrophobicContact CG2-CG1 4.09Å; I845-V901 HydrophobicContact CG2-CG2 3.39Å
846	N	93.2	Very high	90.1	Very high	57 Å²	57	62.1 Å²	62.1	31%	0.305	34%	0.344	S	S	.	.	T	Hydrogen-bonded Turn	trans	48.6	46.4	-173.5	-67.8	-18.4	0	0	0	111.9	K848 F899 L900 V901	N846-K848 PolarHBondContact O-N 3.41Å; N846-F899 PolarHBondContact N-O 3.37Å; N846-L900 WeakPolarHBondContact OD1-CA 3.33Å; N846-V901 WeakPolarHBondContact ND2-CG2 3.39Å; N846-V901 PolarHBondContact ND2-O 3.44Å; N846-V901 PolarHBondContact OD1-N 3.09Å; N846-V901 PolarHBondContact OD1-O 3.4Å
847	N	92.9	Very high	90.7	Very high	118 Å²	118	60.9 Å²	60.9	63%	0.631	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	64.4	7.2	-176.4	-58.2	-42.7	0	0	0	116.2	I845 N898	I845-N847 PolarHBondContact O-N 3.24Å; N847-N898 PolarHBondContact N-OD1 3.16Å; N847-N898 PolarHBondContact OD1-ND2 3.29Å
848	K	93.1	Very high	91.1	Very high	158 Å²	158	60.9 Å²	60.9	69%	0.687	33%	0.331	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-97.8	132.9	175.5	-65.1	-177.9	-180	176.5	0	110.6	L844 I845 N846 C850	L844-K848 CarbonylContact C-O 3.59Å; L844-K848 WeakPolarHBondContact CA-O 3.44Å; I845-K848 PolarHBondContact N-O 3.12Å; I845-K848 WeakPolarHBondContact O-CB 3.43Å; I845-K848 PolarHBondContact O-N 3.04Å; N846-K848 PolarHBondContact O-N 3.41Å; K848-C850 PolarHBondContact O-N 3.01Å; K848-C850 PolarHBondContact O-SG 2.93Å; K848-C850 VanDerWaalsContact O-SG 3.42Å
849	A	93.9	Very high	91.3	Very high	91 Å²	91	57.1 Å²	57.1	75%	0.752	31%	0.312	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-69	124.9	178.9	0	0	0	0	0	111.2
850	C	93.1	Very high	91.4	Very high	44 Å²	44	56 Å²	56	30%	0.297	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	-22	-175.9	-67.4	0	0	0	0	113.5	V843 I845 K848 L879	V843-C850 PolarHBondContact O-N 3.39Å; I845-C850 HydrophobicContact CD1-CB 4.44Å; I845-C850 HydrophobicContact CG1-CB 4.47Å; K848-C850 PolarHBondContact O-N 3.01Å; K848-C850 PolarHBondContact O-SG 2.93Å; K848-C850 VanDerWaalsContact O-SG 3.42Å; C850-L879 HydrophobicContact CB-CD1 3.64Å
851	G	93.3	Very high	91.2	Very high	32 Å²	32	59.1 Å²	59.1	33%	0.33	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	155.9	-167.4	179.7	0	0	0	0	0	112.1	V843	V843-G851 PolarHBondContact N-O 3.06Å
852	K	94.6	Very high	91	Very high	142 Å²	142	61.6 Å²	61.6	62%	0.617	34%	0.335	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-130.9	149	173.3	-62.8	-177.2	-179.5	-176.6	0	109.8	Q840 M841 A842	Q840-K852 HydrophobicContact CB-CB 4.44Å; Q840-K852 HydrophobicContact CB-CD 4.18Å; M841-K852 CarbonylContact O-C 3.49Å; M841-K852 VanDerWaalsContact O-CA 3.24Å; M841-K852 WeakPolarHBondContact O-CA 3.2Å; A842-K852 HydrophobicContact CB-CG 4.32Å
853	I	93.8	Very high	90.8	Very high	8 Å²	8	66.1 Å²	66.1	4%	0.041	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	149.5	173.2	70.6	170.5	0	0	0	110.5	Q840 M841 V843 V855 V870 L875	Q840-I853 CarbonylContact C-O 3.55Å; Q840-I853 WeakPolarHBondContact CA-O 3.46Å; M841-I853 HydrophobicContact CB-CG1 4.1Å; M841-I853 PolarHBondContact N-O 3.08Å; M841-I853 PolarHBondContact O-N 3.07Å; V843-I853 HydrophobicContact CG2-CG1 4.36Å; V843-I853 HydrophobicContact CG2-CG2 4.3Å; I853-V855 HydrophobicContact CD1-CG2 3.96Å; I853-V855 HydrophobicContact CG1-CG2 3.81Å; I853-V870 HydrophobicContact CD1-CB 4.03Å; I853-V870 HydrophobicContact CD1-CG2 3.63Å; I853-L875 HydrophobicContact CG2-CB 4.05Å; I853-L875 HydrophobicContact CG2-CD2 4.02Å
854	P	90.8	Very high	90.6	Very high	74 Å²	74	70.3 Å²	70.3	48%	0.481	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	129.2	170.8	28.7	-31.8	0	0	0	110.9	I838 I839	I838-P854 HydrophobicContact CG2-CB 3.47Å; I838-P854 VanDerWaalsContact CG2-CB 3.47Å; I839-P854 CarbonylContact O-C 3.53Å
855	V	90.1	Very high	90.4	Very high	0 Å²	0	73.9 Å²	73.9	0%	0	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	131.7	176.4	-177.9	0	0	0	0	109.4	I838 I839 M841 I853 Q857 V859 A860 V866	I838-V855 CarbonylContact C-O 3.5Å; I838-V855 WeakPolarHBondContact CA-O 3.48Å; I839-V855 PolarHBondContact N-O 2.7Å; I839-V855 PolarHBondContact O-N 3.49Å; M841-V855 HydrophobicContact CB-CB 4.32Å; M841-V855 HydrophobicContact CB-CG2 3.54Å; M841-V855 HydrophobicContact CG-CG2 4.24Å; I853-V855 HydrophobicContact CD1-CG2 3.96Å; I853-V855 HydrophobicContact CG1-CG2 3.81Å; V855-Q857 PolarHBondContact O-N 3.48Å; V855-V859 HydrophobicContact CG1-CB 3.87Å; V855-V859 HydrophobicContact CG1-CG1 3.65Å; V855-A860 HydrophobicContact CG1-CB 4.34Å; V855-V866 HydrophobicContact CG1-CG2 4.27Å
856	P	88.8	Confident	90.3	Very high	32 Å²	32	73.1 Å²	73.1	21%	0.208	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-56.2	138.9	175.1	-25	34.3	0	0	0	112.3	E837 Q858 V859 A860 F869	E837-P856 CarbonylContact O-C 3.53Å; E837-P856 VanDerWaalsContact O-CA 3.29Å; E837-P856 WeakPolarHBondContact O-CA 3.25Å; P856-Q858 VanDerWaalsContact C-N 3.25Å; P856-Q858 HydrophobicContact CB-CG 3.99Å; P856-Q858 PolarHBondContact O-N 3.42Å; P856-V859 HydrophobicContact CB-CB 4.34Å; P856-V859 HydrophobicContact CB-CG2 4.14Å; P856-V859 HydrophobicContact CG-CG2 4.36Å; P856-V859 CarbonylContact O-C 3.59Å; P856-V859 WeakPolarHBondContact O-CA 3.4Å; P856-V859 WeakPolarHBondContact O-CB 3.33Å; P856-V859 PolarHBondContact O-N 2.81Å; P856-A860 PolarHBondContact O-N 2.78Å; P856-F869 HydrophobicContact CG-CE1 4.26Å; P856-F869 HydrophobicContact CG-CZ 4.01Å
857	Q	81.7	Confident	90.4	Very high	53 Å²	53	72.6 Å²	72.6	25%	0.248	38%	0.377	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.3	-40.5	-178.6	178.1	73.2	42.6	0	0	113	P835 P836 E837 I839 V855 V859 A860	P835-Q857 HydrophobicContact CB-CG 3.97Å; P835-Q857 HydrophobicContact CG-CG 4.47Å; P836-Q857 VanDerWaalsContact O-CB 3.27Å; P836-Q857 WeakPolarHBondContact O-CB 3.44Å; P836-Q857 PolarHBondContact O-OE1 3.08Å; E837-Q857 PolarHBondContact O-N 3.33Å; I839-Q857 HydrophobicContact CD1-CB 4.5Å; I839-Q857 HydrophobicContact CD1-CG 4.48Å; I839-Q857 HydrophobicContact CG1-CB 4.32Å; V855-Q857 PolarHBondContact O-N 3.48Å; Q857-V859 PolarHBondContact O-N 3.5Å; Q857-A860 PolarHBondContact O-N 3.1Å
858	Q	82.9	Confident	90.3	Very high	174 Å²	174	72.1 Å²	72.1	81%	0.813	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.5	-21.7	175.3	60.5	-176.5	-6.1	0	0	113.7	P856	P856-Q858 VanDerWaalsContact C-N 3.25Å; P856-Q858 HydrophobicContact CB-CG 3.99Å; P856-Q858 PolarHBondContact O-N 3.42Å
859	V	86.3	Confident	90.4	Very high	16 Å²	16	68.3 Å²	68.3	10%	0.097	35%	0.354	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.5	-31.4	176.6	172.7	0	0	0	0	111.3	V855 P856 Q857 Q861 D862 K865 V866 F869	V855-V859 HydrophobicContact CG1-CB 3.87Å; V855-V859 HydrophobicContact CG1-CG1 3.65Å; P856-V859 HydrophobicContact CB-CB 4.34Å; P856-V859 HydrophobicContact CB-CG2 4.14Å; P856-V859 HydrophobicContact CG-CG2 4.36Å; P856-V859 CarbonylContact O-C 3.59Å; P856-V859 WeakPolarHBondContact O-CA 3.4Å; P856-V859 WeakPolarHBondContact O-CB 3.33Å; P856-V859 PolarHBondContact O-N 2.81Å; Q857-V859 PolarHBondContact O-N 3.5Å; V859-Q861 PolarHBondContact O-N 3.03Å; V859-D862 WeakPolarHBondContact O-CB 3.35Å; V859-D862 PolarHBondContact O-N 3.3Å; V859-K865 HydrophobicContact CG1-CB 3.52Å; V859-K865 HydrophobicContact CG2-CD 4.49Å; V859-V866 HydrophobicContact CG1-CG2 4.22Å; V859-V866 WeakPolarHBondContact O-CG2 3.42Å; V859-F869 HydrophobicContact CG1-CD2 3.94Å; V859-F869 HydrophobicContact CG1-CE2 4.17Å; V859-F869 HydrophobicContact CG2-CE2 4.21Å
860	A	85.1	Confident	90.4	Very high	9 Å²	9	64 Å²	64	7%	0.074	32%	0.319	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.9	-14	-166.3	0	0	0	0	0	116.3	I839 M841 V855 P856 Q857 L890	I839-A860 HydrophobicContact CB-CB 4.41Å; I839-A860 HydrophobicContact CD1-CB 3.28Å; I839-A860 HydrophobicContact CG1-CB 4.08Å; M841-A860 HydrophobicContact CE-CB 4Å; V855-A860 HydrophobicContact CG1-CB 4.34Å; P856-A860 PolarHBondContact O-N 2.78Å; Q857-A860 PolarHBondContact O-N 3.1Å; A860-L890 WeakPolarHBondContact O-CD2 3.33Å
861	Q	85.1	Confident	90.4	Very high	167 Å²	167	64.8 Å²	64.8	78%	0.78	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.6	-9.7	174.4	-63.1	-171.7	-2.4	0	0	113.5	V859	V859-Q861 PolarHBondContact O-N 3.03Å
862	D	89.9	Confident	90.4	Very high	52 Å²	52	69.4 Å²	69.4	28%	0.278	33%	0.332	S	S	.	.			trans	-97	103.8	-179.2	-174.6	-31.7	0	0	0	109.4	V859 D864 K865 V866	V859-D862 WeakPolarHBondContact O-CB 3.35Å; V859-D862 PolarHBondContact O-N 3.3Å; D862-D864 PolarHBondContact O-N 3.39Å; D862-D864 PolarHBondContact OD1-N 2.88Å; D862-K865 HydrophobicContact CB-CB 4.11Å; D862-K865 HydrophobicContact CB-CD 4.07Å; D862-K865 HydrophobicContact CB-CG 4.24Å; D862-K865 PolarHBondContact O-N 2.92Å; D862-K865 PolarHBondContact OD1-N 3.41Å; D862-K865 WeakPolarHBondContact OD2-CD 3.44Å; D862-K865 WeakPolarHBondContact OD2-CE 3.46Å; D862-K865 WeakPolarHBondContact OD2-CG 3.46Å; D862-K865 IonicContact OD2-NZ 2.91Å; D862-K865 PolarHBondContact OD2-NZ 3.44Å; D862-V866 VanDerWaalsContact O-CG2 3.28Å; D862-V866 WeakPolarHBondContact O-CG2 3.49Å; D862-V866 PolarHBondContact O-N 2.84Å
863	R	91.9	Very high	90.3	Very high	116 Å²	116	63.7 Å²	63.7	44%	0.438	31%	0.31	S	S	.	.	H	α-helix	trans	-52.1	-43.7	-175.9	-175.5	-161.3	68.9	-176	-3.4	112.1	H867 L890	R863-H867 WeakPolarHBondContact O-CB 3.08Å; R863-H867 PolarHBondContact O-N 3.28Å; R863-L890 HydrophobicContact CB-CB 4.07Å; R863-L890 HydrophobicContact CB-CD2 4.27Å; R863-L890 HydrophobicContact CG-CB 3.94Å
864	D	91.2	Very high	90.2	Very high	90 Å²	90	71.9 Å²	71.9	48%	0.481	35%	0.348	S	S	.	.	H	α-helix	trans	-75.1	-37.8	-170.9	-64.4	-20.4	0	0	0	110.6	D862 H867 E868	D862-D864 PolarHBondContact O-N 3.39Å; D862-D864 PolarHBondContact OD1-N 2.88Å; D864-H867 WeakPolarHBondContact O-CB 3.19Å; D864-H867 PolarHBondContact O-N 2.76Å; D864-E868 PolarHBondContact O-N 3.29Å
865	K	92.1	Very high	90.3	Very high	102 Å²	102	70.1 Å²	70.1	44%	0.443	34%	0.335	S	S	.	.	H	α-helix	trans	-70.1	-40.2	172.9	-64.9	-180	-172.4	140.6	0	112.8	V859 D862 H867 E868 F869	V859-K865 HydrophobicContact CG1-CB 3.52Å; V859-K865 HydrophobicContact CG2-CD 4.49Å; D862-K865 HydrophobicContact CB-CB 4.11Å; D862-K865 HydrophobicContact CB-CD 4.07Å; D862-K865 HydrophobicContact CB-CG 4.24Å; D862-K865 PolarHBondContact O-N 2.92Å; D862-K865 PolarHBondContact OD1-N 3.41Å; D862-K865 WeakPolarHBondContact OD2-CD 3.44Å; D862-K865 WeakPolarHBondContact OD2-CE 3.46Å; D862-K865 WeakPolarHBondContact OD2-CG 3.46Å; D862-K865 IonicContact OD2-NZ 2.91Å; D862-K865 PolarHBondContact OD2-NZ 3.44Å; K865-H867 VanDerWaalsContact C-N 3.3Å; K865-H867 PolarHBondContact O-N 3.39Å; K865-E868 PolarHBondContact O-N 3.08Å; K865-F869 WeakPolarHBondContact O-CB 3.35Å; K865-F869 WeakPolarHBondContact O-CD2 3.29Å; K865-F869 PolarHBondContact O-N 2.92Å
866	V	93.2	Very high	90.4	Very high	0 Å²	0	70.1 Å²	70.1	0%	0	34%	0.335	C	S	.	.	H	α-helix	trans	-61.2	-43.6	173.6	175.5	0	0	0	0	110.1	M841 V855 V859 D862 E868 F869 V870 L890 I897	M841-V866 HydrophobicContact CE-CG1 3.86Å; M841-V866 HydrophobicContact CE-CG2 3.95Å; M841-V866 HydrophobicContact CG-CG1 3.85Å; M841-V866 HydrophobicContact SD-CG1 4.08Å; V855-V866 HydrophobicContact CG1-CG2 4.27Å; V859-V866 HydrophobicContact CG1-CG2 4.22Å; V859-V866 WeakPolarHBondContact O-CG2 3.42Å; D862-V866 VanDerWaalsContact O-CG2 3.28Å; D862-V866 WeakPolarHBondContact O-CG2 3.49Å; D862-V866 PolarHBondContact O-N 2.84Å; V866-E868 VanDerWaalsContact C-N 3.35Å; V866-E868 PolarHBondContact O-N 2.98Å; V866-F869 WeakPolarHBondContact O-CB 3.47Å; V866-F869 PolarHBondContact O-N 2.82Å; V866-V870 HydrophobicContact CG1-CG2 4.3Å; V866-V870 WeakPolarHBondContact O-CG2 3.34Å; V866-V870 PolarHBondContact O-N 3.22Å; V866-L890 HydrophobicContact CB-CD1 4.36Å; V866-L890 HydrophobicContact CG1-CD1 4.06Å; V866-L890 HydrophobicContact CG2-CD1 4.24Å; V866-L890 HydrophobicContact CG2-CD2 4.29Å; V866-I897 HydrophobicContact CB-CD1 4.3Å; V866-I897 HydrophobicContact CG1-CB 4.14Å; V866-I897 HydrophobicContact CG1-CD1 3.78Å; V866-I897 HydrophobicContact CG1-CG2 4.01Å
867	H	93.7	Very high	90.6	Very high	47 Å²	47	71.8 Å²	71.8	22%	0.218	34%	0.344	C	S	.	.	H	α-helix	trans	-55.7	-49	176.8	176.4	-108.2	0	0	0	111.5	R863 D864 K865 V870 L871 S888 I897 F899	R863-H867 WeakPolarHBondContact O-CB 3.08Å; R863-H867 PolarHBondContact O-N 3.28Å; D864-H867 WeakPolarHBondContact O-CB 3.19Å; D864-H867 PolarHBondContact O-N 2.76Å; K865-H867 VanDerWaalsContact C-N 3.3Å; K865-H867 PolarHBondContact O-N 3.39Å; H867-V870 PolarHBondContact O-N 2.7Å; H867-L871 WeakPolarHBondContact O-CG 3.16Å; H867-L871 PolarHBondContact O-N 3.28Å; H867-L871 VanDerWaalsContact O-N 3.09Å; H867-S888 PolarHBondContact CD2-OG 2.9Å; H867-I897 HydrophobicContact CB-CD1 4.2Å; H867-F899 AromaticContact CD2-CE1 3.08Å; H867-F899 WeakPolarHBondContact CD2-CE1 3.27Å; H867-F899 AromaticContact CD2-CZ 3.52Å; H867-F899 AromaticContact NE2-CE1 3.43Å; H867-F899 WeakPolarHBondContact NE2-CE1 3.37Å
868	E	92.7	Very high	91.2	Very high	108 Å²	108	77.5 Å²	77.5	51%	0.505	37%	0.369	S	S	.	.	H	α-helix	trans	-62.8	-44.7	176.1	-173.5	173.7	-169.1	0	0	112.5	D864 K865 V866 V870 L871 Q872	D864-E868 PolarHBondContact O-N 3.29Å; K865-E868 PolarHBondContact O-N 3.08Å; V866-E868 VanDerWaalsContact C-N 3.35Å; V866-E868 PolarHBondContact O-N 2.98Å; E868-V870 VanDerWaalsContact C-N 3.28Å; E868-V870 PolarHBondContact O-N 2.81Å; E868-L871 PolarHBondContact O-N 3.21Å; E868-L871 VanDerWaalsContact O-N 3.13Å; E868-Q872 HydrophobicContact CG-CG 4.45Å; E868-Q872 WeakPolarHBondContact O-CG 3.48Å; E868-Q872 PolarHBondContact O-N 3.15Å; E868-Q872 PolarHBondContact OE1-NE2 2.97Å
869	F	93.4	Very high	91.6	Very high	78 Å²	78	71.4 Å²	71.4	34%	0.342	34%	0.341	S	S	.	.	H	α-helix	trans	-56.6	-40.6	174.9	-103.4	-96.9	0	0	0	112.4	P856 V859 K865 V866 S873	P856-F869 HydrophobicContact CG-CE1 4.26Å; P856-F869 HydrophobicContact CG-CZ 4.01Å; V859-F869 HydrophobicContact CG1-CD2 3.94Å; V859-F869 HydrophobicContact CG1-CE2 4.17Å; V859-F869 HydrophobicContact CG2-CE2 4.21Å; K865-F869 WeakPolarHBondContact O-CB 3.35Å; K865-F869 WeakPolarHBondContact O-CD2 3.29Å; K865-F869 PolarHBondContact O-N 2.92Å; V866-F869 WeakPolarHBondContact O-CB 3.47Å; V866-F869 PolarHBondContact O-N 2.82Å; F869-S873 WeakPolarHBondContact O-CB 3.39Å; F869-S873 PolarHBondContact O-N 3.22Å; F869-S873 VanDerWaalsContact O-N 3.11Å
870	V	94.4	Very high	91.9	Very high	0 Å²	0	70.9 Å²	70.9	0%	0	34%	0.338	C	S	.	.	H	α-helix	trans	-65	-48.2	175.3	-176.2	0	0	0	0	110.9	V843 I853 V866 H867 E868 Q872 S873 G876 L880 I897 F899	V843-V870 HydrophobicContact CG1-CG1 3.79Å; V843-V870 HydrophobicContact CG2-CG1 3.87Å; V843-V870 HydrophobicContact CG2-CG2 4.03Å; I853-V870 HydrophobicContact CD1-CB 4.03Å; I853-V870 HydrophobicContact CD1-CG2 3.63Å; V866-V870 HydrophobicContact CG1-CG2 4.3Å; V866-V870 WeakPolarHBondContact O-CG2 3.34Å; V866-V870 PolarHBondContact O-N 3.22Å; H867-V870 PolarHBondContact O-N 2.7Å; E868-V870 VanDerWaalsContact C-N 3.28Å; E868-V870 PolarHBondContact O-N 2.81Å; V870-Q872 PolarHBondContact O-N 2.98Å; V870-S873 WeakPolarHBondContact O-CB 3.4Å; V870-S873 PolarHBondContact O-N 3.04Å; V870-S873 VanDerWaalsContact O-N 3.09Å; V870-S873 PolarHBondContact O-OG 2.78Å; V870-G876 VanDerWaalsContact O-CA 3.26Å; V870-G876 WeakPolarHBondContact O-CA 3.21Å; V870-L880 HydrophobicContact CG1-CD1 3.95Å; V870-I897 HydrophobicContact CG2-CG2 3.65Å; V870-F899 HydrophobicContact CB-CE2 3.9Å; V870-F899 HydrophobicContact CB-CZ 3.71Å; V870-F899 HydrophobicContact CG1-CE2 3.7Å; V870-F899 HydrophobicContact CG1-CZ 3.85Å; V870-F899 HydrophobicContact CG2-CE2 3.89Å; V870-F899 HydrophobicContact CG2-CZ 4.02Å
871	L	92.8	Very high	92.1	Very high	60 Å²	60	77.3 Å²	77.3	31%	0.314	37%	0.367	S	S	.	.	H	α-helix	trans	-61.8	-32.8	-177.8	-67.8	177.8	0	0	0	113	H867 E868 L880 I885 F899	H867-L871 WeakPolarHBondContact O-CG 3.16Å; H867-L871 PolarHBondContact O-N 3.28Å; H867-L871 VanDerWaalsContact O-N 3.09Å; E868-L871 PolarHBondContact O-N 3.21Å; E868-L871 VanDerWaalsContact O-N 3.13Å; L871-L880 HydrophobicContact CD2-CB 3.9Å; L871-L880 HydrophobicContact CD2-CD1 3.97Å; L871-I885 HydrophobicContact CD2-CD1 3.67Å; L871-F899 HydrophobicContact CD2-CE1 4.29Å
872	Q	93.2	Very high	92	Very high	129 Å²	129	73.6 Å²	73.6	60%	0.603	37%	0.373	S	S	*	.	H	α-helix	trans	-83.2	-15.5	177.5	-66.6	176.5	2.2	0	0	113.6	E868 V870	E868-Q872 HydrophobicContact CG-CG 4.45Å; E868-Q872 WeakPolarHBondContact O-CG 3.48Å; E868-Q872 PolarHBondContact O-N 3.15Å; E868-Q872 PolarHBondContact OE1-NE2 2.97Å; V870-Q872 PolarHBondContact O-N 2.98Å
873	S	93.4	Very high	92	Very high	22 Å²	22	76.7 Å²	76.7	15%	0.154	38%	0.381	C	S	.	.	S	Bend	trans	-71.7	154.8	176.6	75.6	0	0	0	0	112	F869 V870 L875 G876 V877	F869-S873 WeakPolarHBondContact O-CB 3.39Å; F869-S873 PolarHBondContact O-N 3.22Å; F869-S873 VanDerWaalsContact O-N 3.11Å; V870-S873 WeakPolarHBondContact O-CB 3.4Å; V870-S873 PolarHBondContact O-N 3.04Å; V870-S873 VanDerWaalsContact O-N 3.09Å; V870-S873 PolarHBondContact O-OG 2.78Å; S873-L875 PolarHBondContact O-N 3.3Å; S873-L875 VanDerWaalsContact O-N 3.12Å; S873-G876 PolarHBondContact O-N 3.22Å; S873-G876 PolarHBondContact OG-N 3.16Å; S873-G876 VanDerWaalsContact OG-N 3.13Å; S873-V877 WeakPolarHBondContact O-CG2 3.37Å; S873-V877 PolarHBondContact O-N 2.97Å
874	E	92.2	Very high	91.9	Very high	180 Å²	180	74.5 Å²	74.5	84%	0.841	38%	0.383	S	S	*	.	H	α-helix	trans	-52.5	-36.3	173.2	-66.3	-176.5	172.4	0	0	112.5	K878	E874-K878 VanDerWaalsContact O-CB 3.27Å; E874-K878 WeakPolarHBondContact O-CB 3.5Å; E874-K878 PolarHBondContact O-N 3.15Å
875	L	92.6	Very high	92	Very high	37 Å²	37	72.6 Å²	72.6	19%	0.194	37%	0.372	C	S	.	.	H	α-helix	trans	-66.8	-45.1	178.9	-172	69.9	0	0	0	111.8	V843 I853 S873 K878 L879	V843-L875 HydrophobicContact CB-CD2 3.88Å; V843-L875 HydrophobicContact CG1-CD2 4.4Å; V843-L875 HydrophobicContact CG2-CD2 4.02Å; I853-L875 HydrophobicContact CG2-CB 4.05Å; I853-L875 HydrophobicContact CG2-CD2 4.02Å; S873-L875 PolarHBondContact O-N 3.3Å; S873-L875 VanDerWaalsContact O-N 3.12Å; L875-K878 PolarHBondContact O-N 3.32Å; L875-L879 HydrophobicContact CD1-CD1 3.59Å; L875-L879 HydrophobicContact CD1-CG 4.42Å; L875-L879 HydrophobicContact CG-CD1 4.07Å; L875-L879 WeakPolarHBondContact O-CB 3.25Å; L875-L879 WeakPolarHBondContact O-CG 3.3Å; L875-L879 PolarHBondContact O-N 3.37Å
876	G	92.3	Very high	92	Very high	1 Å²	1	74.3 Å²	74.3	1%	0.01	38%	0.38	C	S	.	.	H	α-helix	trans	-70.6	-41.3	177.9	0	0	0	0	0	112.5	V870 S873 K878 L879 L880 Q881	V870-G876 VanDerWaalsContact O-CA 3.26Å; V870-G876 WeakPolarHBondContact O-CA 3.21Å; S873-G876 PolarHBondContact O-N 3.22Å; S873-G876 PolarHBondContact OG-N 3.16Å; S873-G876 VanDerWaalsContact OG-N 3.13Å; G876-K878 VanDerWaalsContact C-N 3.25Å; G876-K878 PolarHBondContact O-N 2.84Å; G876-L879 PolarHBondContact O-N 3.03Å; G876-L880 WeakPolarHBondContact O-CA 3.42Å; G876-L880 WeakPolarHBondContact O-CB 3.49Å; G876-L880 PolarHBondContact O-N 3.38Å; G876-Q881 PolarHBondContact O-N 2.81Å; G876-Q881 VanDerWaalsContact O-N 3.15Å
877	V	93.3	Very high	92	Very high	66 Å²	66	79.6 Å²	79.6	40%	0.4	40%	0.403	S	S	.	.	H	α-helix	trans	-55	-45.4	172.3	171	0	0	0	0	110.2	S873 Q881	S873-V877 WeakPolarHBondContact O-CG2 3.37Å; S873-V877 PolarHBondContact O-N 2.97Å; V877-Q881 VanDerWaalsContact CG1-OE1 3.31Å; V877-Q881 WeakPolarHBondContact O-CB 3.39Å; V877-Q881 PolarHBondContact O-OE1 2.76Å
878	K	93.1	Very high	91.9	Very high	174 Å²	174	78 Å²	78	76%	0.757	40%	0.397	S	S	*	.	H	α-helix	trans	-70.8	-38	-179.5	-173.7	176.2	-179.8	177.7	0	114.2	E874 L875 G876	E874-K878 VanDerWaalsContact O-CB 3.27Å; E874-K878 WeakPolarHBondContact O-CB 3.5Å; E874-K878 PolarHBondContact O-N 3.15Å; L875-K878 PolarHBondContact O-N 3.32Å; G876-K878 VanDerWaalsContact C-N 3.25Å; G876-K878 PolarHBondContact O-N 2.84Å
879	L	92.7	Very high	92	Very high	46 Å²	46	77.1 Å²	77.1	24%	0.241	39%	0.391	C	S	.	.	H	α-helix	trans	-110.7	-19.6	-165.8	-60.9	179.8	0	0	0	115	I845 C850 L875 G876 R883	I845-L879 HydrophobicContact CD1-CB 3.58Å; I845-L879 HydrophobicContact CD1-CD1 4.26Å; C850-L879 HydrophobicContact CB-CD1 3.64Å; L875-L879 HydrophobicContact CD1-CD1 3.59Å; L875-L879 HydrophobicContact CD1-CG 4.42Å; L875-L879 HydrophobicContact CG-CD1 4.07Å; L875-L879 WeakPolarHBondContact O-CB 3.25Å; L875-L879 WeakPolarHBondContact O-CG 3.3Å; L875-L879 PolarHBondContact O-N 3.37Å; G876-L879 PolarHBondContact O-N 3.03Å; L879-R883 WeakPolarHBondContact O-CD 3.25Å; L879-R883 PolarHBondContact O-NE 2.89Å; L879-R883 VanDerWaalsContact O-NE 3.11Å
880	L	91	Very high	92.1	Very high	4 Å²	4	75 Å²	75	2%	0.021	38%	0.384	C	S	.	.	T	Hydrogen-bonded Turn	trans	-120.5	-21.8	-174.3	-64.6	171.3	0	0	0	113	I845 V870 L871 G876 G882 R883 I885 F899 V901	I845-L880 HydrophobicContact CD1-CD2 3.54Å; I845-L880 HydrophobicContact CD1-CG 3.86Å; I845-L880 HydrophobicContact CG1-CD2 3.91Å; I845-L880 HydrophobicContact CG2-CD2 4.46Å; V870-L880 HydrophobicContact CG1-CD1 3.95Å; L871-L880 HydrophobicContact CD2-CB 3.9Å; L871-L880 HydrophobicContact CD2-CD1 3.97Å; G876-L880 WeakPolarHBondContact O-CA 3.42Å; G876-L880 WeakPolarHBondContact O-CB 3.49Å; G876-L880 PolarHBondContact O-N 3.38Å; L880-G882 PolarHBondContact O-N 2.94Å; L880-R883 WeakPolarHBondContact O-CB 3.29Å; L880-R883 PolarHBondContact O-N 3.5Å; L880-R883 VanDerWaalsContact O-N 3.1Å; L880-I885 HydrophobicContact CB-CD1 4.47Å; L880-F899 HydrophobicContact CD1-CD1 3.72Å; L880-F899 HydrophobicContact CD1-CD2 4Å; L880-F899 HydrophobicContact CD1-CE1 3.74Å; L880-F899 HydrophobicContact CD1-CE2 4.07Å; L880-F899 HydrophobicContact CD1-CG 3.84Å; L880-F899 HydrophobicContact CD1-CZ 3.96Å; L880-F899 HydrophobicContact CD2-CB 3.98Å; L880-F899 HydrophobicContact CD2-CD1 4.18Å; L880-F899 HydrophobicContact CD2-CG 4.13Å; L880-V901 HydrophobicContact CD2-CG1 3.62Å
881	Q	89.3	Confident	91.9	Very high	145 Å²	145	76.6 Å²	76.6	68%	0.678	40%	0.395	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.9	130.7	179.9	-166.5	178.6	15.3	0	0	111.3	G876 V877 R883	G876-Q881 PolarHBondContact O-N 2.81Å; G876-Q881 VanDerWaalsContact O-N 3.15Å; V877-Q881 VanDerWaalsContact CG1-OE1 3.31Å; V877-Q881 WeakPolarHBondContact O-CB 3.39Å; V877-Q881 PolarHBondContact O-OE1 2.76Å; Q881-R883 PolarHBondContact O-N 2.93Å
882	G	84.1	Confident	91.2	Very high	88 Å²	88	80 Å²	80	91%	0.907	42%	0.42	S	S	*	.	T	Hydrogen-bonded Turn	trans	76.8	-2.1	-179	0	0	0	0	0	115.2	L880	L880-G882 PolarHBondContact O-N 2.94Å
883	R	90.1	Very high	90.3	Very high	118 Å²	118	85 Å²	85	45%	0.445	43%	0.434	S	S	.	.	S	Bend	trans	-92	147.1	176.1	-58.8	-168.2	-176	-154	1.6	111.6	L879 L880 Q881 I885	L879-R883 WeakPolarHBondContact O-CD 3.25Å; L879-R883 PolarHBondContact O-NE 2.89Å; L879-R883 VanDerWaalsContact O-NE 3.11Å; L880-R883 WeakPolarHBondContact O-CB 3.29Å; L880-R883 PolarHBondContact O-N 3.5Å; L880-R883 VanDerWaalsContact O-N 3.1Å; Q881-R883 PolarHBondContact O-N 2.93Å; R883-I885 PolarHBondContact O-N 3.36Å
884	S	89.7	Confident	89.8	Confident	70 Å²	70	88 Å²	88	49%	0.49	45%	0.451	S	S	.	.			trans	-78.9	104.7	173.8	-174.9	0	0	0	0	110.3	V901 Q902	S884-V901 WeakPolarHBondContact O-CA 3.44Å; S884-Q902 PolarHBondContact O-N 3.14Å
885	I	93.2	Very high	89.6	Confident	49 Å²	49	81.2 Å²	81.2	25%	0.251	43%	0.426	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	112.7	175.8	-60.1	163.3	0	0	0	108.4	L871 L880 R883 F899 V901	L871-I885 HydrophobicContact CD2-CD1 3.67Å; L880-I885 HydrophobicContact CB-CD1 4.47Å; R883-I885 PolarHBondContact O-N 3.36Å; I885-F899 HydrophobicContact CD1-CD1 3.94Å; I885-F899 HydrophobicContact CD1-CE1 4.13Å; I885-F899 HydrophobicContact CG1-CD1 4.32Å; I885-F899 HydrophobicContact CG2-CD1 3.94Å; I885-V901 HydrophobicContact CG1-CG1 3.99Å
886	K	92.1	Very high	89.8	Confident	139 Å²	139	81.7 Å²	81.7	60%	0.604	43%	0.428	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-75.5	-39.7	176.2	-70.3	-166.1	178.9	-179.8	0	112.5	L900 Q902	K886-L900 PolarHBondContact N-O 3.27Å; K886-Q902 VanDerWaalsContact CE-CG 3.47Å; K886-Q902 VanDerWaalsContact CE-OE1 3.27Å
887	K	92.4	Very high	90	Very high	111 Å²	111	81.6 Å²	81.6	48%	0.483	43%	0.428	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-161.5	148.9	-173.9	-160.8	158.1	176.4	-178	0	111.3	F889 L900	K887-F889 HydrophobicContact CB-CE2 3.99Å; K887-F889 HydrophobicContact CB-CZ 4.38Å; K887-F889 HydrophobicContact CD-CE1 3.91Å; K887-F889 HydrophobicContact CD-CE2 3.83Å; K887-F889 HydrophobicContact CD-CZ 3.34Å; K887-F889 HydrophobicContact CG-CD2 4.3Å; K887-F889 HydrophobicContact CG-CE1 4.29Å; K887-F889 HydrophobicContact CG-CE2 3.68Å; K887-F889 HydrophobicContact CG-CZ 3.72Å; K887-L900 PolarHBondContact O-N 3.15Å
888	S	92.6	Very high	90.1	Very high	13 Å²	13	79.1 Å²	79.1	9%	0.091	41%	0.412	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	143.9	168.1	61.4	0	0	0	0	110.4	H867 N898	H867-S888 PolarHBondContact CD2-OG 2.9Å; S888-N898 CarbonylContact C-O 3.53Å; S888-N898 VanDerWaalsContact CA-O 3.29Å; S888-N898 WeakPolarHBondContact CA-O 3.19Å
889	F	94.7	Very high	90.3	Very high	89 Å²	89	70.9 Å²	70.9	39%	0.39	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	115.1	179.5	-60.7	-92	0	0	0	109.6	K887 I897 N898 L900	K887-F889 HydrophobicContact CB-CE2 3.99Å; K887-F889 HydrophobicContact CB-CZ 4.38Å; K887-F889 HydrophobicContact CD-CE1 3.91Å; K887-F889 HydrophobicContact CD-CE2 3.83Å; K887-F889 HydrophobicContact CD-CZ 3.34Å; K887-F889 HydrophobicContact CG-CD2 4.3Å; K887-F889 HydrophobicContact CG-CE1 4.29Å; K887-F889 HydrophobicContact CG-CE2 3.68Å; K887-F889 HydrophobicContact CG-CZ 3.72Å; F889-I897 CarbonylContact O-C 3.59Å; F889-I897 VanDerWaalsContact O-CA 3.3Å; F889-I897 WeakPolarHBondContact O-CA 3.31Å; F889-N898 PolarHBondContact N-O 3.42Å; F889-N898 PolarHBondContact O-N 3.43Å; F889-L900 HydrophobicContact CD2-CG 4.46Å; F889-L900 HydrophobicContact CE2-CD1 3.62Å; F889-L900 HydrophobicContact CE2-CG 3.96Å; F889-L900 HydrophobicContact CZ-CD1 4.39Å
890	L	94.8	Very high	90.4	Very high	35 Å²	35	71.4 Å²	71.4	18%	0.183	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	130.6	169.1	-176.2	69.3	0	0	0	108.8	M841 A860 R863 V866 I897	M841-L890 HydrophobicContact CE-CD1 3.82Å; M841-L890 HydrophobicContact SD-CD1 3.8Å; A860-L890 WeakPolarHBondContact O-CD2 3.33Å; R863-L890 HydrophobicContact CB-CB 4.07Å; R863-L890 HydrophobicContact CB-CD2 4.27Å; R863-L890 HydrophobicContact CG-CB 3.94Å; V866-L890 HydrophobicContact CB-CD1 4.36Å; V866-L890 HydrophobicContact CG1-CD1 4.06Å; V866-L890 HydrophobicContact CG2-CD1 4.24Å; V866-L890 HydrophobicContact CG2-CD2 4.29Å; L890-I897 HydrophobicContact CD1-CB 4.09Å
891	S	90.4	Very high	90.4	Very high	33 Å²	33	71.7 Å²	71.7	23%	0.231	38%	0.381	C	S	.	.			trans	-71.5	131.5	176.8	171.2	0	0	0	0	110.4	R893 T894 L896	S891-R893 PolarHBondContact O-N 3.34Å; S891-R893 PolarHBondContact OG-N 3.04Å; S891-T894 VanDerWaalsContact CB-O 3.28Å; S891-T894 WeakPolarHBondContact CB-O 3.39Å; S891-T894 WeakPolarHBondContact CB-OG1 3.3Å; S891-T894 PolarHBondContact OG-N 2.87Å; S891-T894 VanDerWaalsContact OG-N 3.12Å; S891-T894 PolarHBondContact OG-O 2.97Å; S891-T894 PolarHBondContact OG-OG1 3.41Å; S891-L896 WeakPolarHBondContact CB-O 3.46Å; S891-L896 PolarHBondContact N-O 2.93Å
892	P	78.6	Confident	90.1	Very high	131 Å²	131	69.3 Å²	69.3	85%	0.851	37%	0.37	S	S	*	.	S	Bend	trans	-78.5	-8.5	176.7	30.8	-33.8	0	0	0	113.2
893	R	73.6	Confident	89.1	Confident	234 Å²	234	74.6 Å²	74.6	88%	0.883	38%	0.377	S	S	*	.	S	Bend	trans	-116.6	-21	-173.6	-64.8	-177.1	-176.1	178.9	0.9	113.9	S891	S891-R893 PolarHBondContact O-N 3.34Å; S891-R893 PolarHBondContact OG-N 3.04Å
894	T	82.3	Confident	89	Confident	85 Å²	85	72.5 Å²	72.5	52%	0.521	37%	0.374	S	S	.	.	S	Bend	trans	-139.8	151.1	-174	52.9	0	0	0	0	109.7	S891 L896	S891-T894 VanDerWaalsContact CB-O 3.28Å; S891-T894 WeakPolarHBondContact CB-O 3.39Å; S891-T894 WeakPolarHBondContact CB-OG1 3.3Å; S891-T894 PolarHBondContact OG-N 2.87Å; S891-T894 VanDerWaalsContact OG-N 3.12Å; S891-T894 PolarHBondContact OG-O 2.97Å; S891-T894 PolarHBondContact OG-OG1 3.41Å; T894-L896 PolarHBondContact O-N 3.48Å
895	A	89.7	Confident	89	Confident	38 Å²	38	72.6 Å²	72.6	31%	0.314	37%	0.368	S	S	.	.	S	Bend	trans	-72.6	76.9	175.7	0	0	0	0	0	110.6	I839 M841 A842	I839-A895 HydrophobicContact CG2-CB 3.33Å; M841-A895 HydrophobicContact CE-CB 4.48Å; M841-A895 HydrophobicContact SD-CB 4.4Å; A842-A895 PolarHBondContact N-O 3.36Å
896	L	95.2	Very high	88.7	Confident	46 Å²	46	73.9 Å²	73.9	24%	0.241	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.6	134.1	-174.9	179.3	150.5	0	0	0	111	M841 A842 L844 S891 T894 N898	M841-L896 VanDerWaalsContact SD-C 3.6Å; M841-L896 PolarHBondContact SD-N 3.11Å; A842-L896 HydrophobicContact CB-CB 4.3Å; A842-L896 HydrophobicContact CB-CD1 4.39Å; A842-L896 HydrophobicContact CB-CG 4.33Å; A842-L896 CarbonylContact O-C 3.49Å; A842-L896 VanDerWaalsContact O-CA 3.31Å; A842-L896 WeakPolarHBondContact O-CA 3.12Å; L844-L896 HydrophobicContact CD1-CD1 3.52Å; L844-L896 HydrophobicContact CD1-CD2 4.36Å; L844-L896 HydrophobicContact CD1-CG 3.81Å; L844-L896 HydrophobicContact CD2-CD1 4.09Å; L844-L896 HydrophobicContact CG-CD1 4.47Å; S891-L896 WeakPolarHBondContact CB-O 3.46Å; S891-L896 PolarHBondContact N-O 2.93Å; T894-L896 PolarHBondContact O-N 3.48Å; L896-N898 HydrophobicContact CD2-CB 4.37Å
897	I	96.6	Very high	88.5	Confident	0 Å²	0	70.1 Å²	70.1	0%	0	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	134.3	168.7	-171.8	167.6	0	0	0	110.3	M841 A842 V843 L844 V866 H867 V870 F889 L890 F899	M841-I897 HydrophobicContact CG-CG2 3.87Å; M841-I897 HydrophobicContact SD-CB 4.4Å; M841-I897 HydrophobicContact SD-CG2 4.35Å; A842-I897 PolarHBondContact O-N 3.06Å; V843-I897 WeakPolarHBondContact CA-O 3.2Å; V843-I897 HydrophobicContact CG2-CG2 4.27Å; L844-I897 PolarHBondContact N-O 3.21Å; V866-I897 HydrophobicContact CB-CD1 4.3Å; V866-I897 HydrophobicContact CG1-CB 4.14Å; V866-I897 HydrophobicContact CG1-CD1 3.78Å; V866-I897 HydrophobicContact CG1-CG2 4.01Å; H867-I897 HydrophobicContact CB-CD1 4.2Å; V870-I897 HydrophobicContact CG2-CG2 3.65Å; F889-I897 CarbonylContact O-C 3.59Å; F889-I897 VanDerWaalsContact O-CA 3.3Å; F889-I897 WeakPolarHBondContact O-CA 3.31Å; L890-I897 HydrophobicContact CD1-CB 4.09Å; I897-F899 HydrophobicContact CB-CE2 4.46Å; I897-F899 HydrophobicContact CD1-CE2 3.97Å; I897-F899 HydrophobicContact CD1-CZ 4.09Å; I897-F899 HydrophobicContact CG1-CD2 4.39Å; I897-F899 HydrophobicContact CG1-CE2 3.88Å; I897-F899 HydrophobicContact CG1-CZ 4.47Å; I897-F899 HydrophobicContact CG2-CE2 3.84Å
898	N	96.6	Very high	88.3	Confident	14 Å²	14	67.5 Å²	67.5	8%	0.075	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	127.8	180	-177.4	33.8	0	0	0	110.8	L844 N847 S888 F889 L896	L844-N898 HydrophobicContact CB-CB 3.99Å; L844-N898 VanDerWaalsContact CB-OD1 3.27Å; L844-N898 WeakPolarHBondContact CB-OD1 3.35Å; L844-N898 CarbonylContact O-C 3.53Å; L844-N898 WeakPolarHBondContact O-CA 3.27Å; L844-N898 PolarHBondContact O-OD1 3.42Å; N847-N898 PolarHBondContact N-OD1 3.16Å; N847-N898 PolarHBondContact OD1-ND2 3.29Å; S888-N898 CarbonylContact C-O 3.53Å; S888-N898 VanDerWaalsContact CA-O 3.29Å; S888-N898 WeakPolarHBondContact CA-O 3.19Å; F889-N898 PolarHBondContact N-O 3.42Å; F889-N898 PolarHBondContact O-N 3.43Å; L896-N898 HydrophobicContact CD2-CB 4.37Å
899	F	96	Very high	88	Confident	0 Å²	0	71.1 Å²	71.1	0%	0	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	124.1	178.6	-71.9	-103.5	0	0	0	109.9	V843 L844 I845 N846 H867 V870 L871 L880 I885 I897 V901	V843-F899 HydrophobicContact CG1-CD2 4.12Å; V843-F899 HydrophobicContact CG1-CE2 4.2Å; L844-F899 PolarHBondContact O-N 3.13Å; I845-F899 CarbonylContact C-O 3.51Å; I845-F899 WeakPolarHBondContact CA-O 3.4Å; I845-F899 HydrophobicContact CG1-CB 4.41Å; N846-F899 PolarHBondContact N-O 3.37Å; H867-F899 AromaticContact CD2-CE1 3.08Å; H867-F899 WeakPolarHBondContact CD2-CE1 3.27Å; H867-F899 AromaticContact CD2-CZ 3.52Å; H867-F899 AromaticContact NE2-CE1 3.43Å; H867-F899 WeakPolarHBondContact NE2-CE1 3.37Å; V870-F899 HydrophobicContact CB-CE2 3.9Å; V870-F899 HydrophobicContact CB-CZ 3.71Å; V870-F899 HydrophobicContact CG1-CE2 3.7Å; V870-F899 HydrophobicContact CG1-CZ 3.85Å; V870-F899 HydrophobicContact CG2-CE2 3.89Å; V870-F899 HydrophobicContact CG2-CZ 4.02Å; L871-F899 HydrophobicContact CD2-CE1 4.29Å; L880-F899 HydrophobicContact CD1-CD1 3.72Å; L880-F899 HydrophobicContact CD1-CD2 4Å; L880-F899 HydrophobicContact CD1-CE1 3.74Å; L880-F899 HydrophobicContact CD1-CE2 4.07Å; L880-F899 HydrophobicContact CD1-CG 3.84Å; L880-F899 HydrophobicContact CD1-CZ 3.96Å; L880-F899 HydrophobicContact CD2-CB 3.98Å; L880-F899 HydrophobicContact CD2-CD1 4.18Å; L880-F899 HydrophobicContact CD2-CG 4.13Å; I885-F899 HydrophobicContact CD1-CD1 3.94Å; I885-F899 HydrophobicContact CD1-CE1 4.13Å; I885-F899 HydrophobicContact CG1-CD1 4.32Å; I885-F899 HydrophobicContact CG2-CD1 3.94Å; I897-F899 HydrophobicContact CB-CE2 4.46Å; I897-F899 HydrophobicContact CD1-CE2 3.97Å; I897-F899 HydrophobicContact CD1-CZ 4.09Å; I897-F899 HydrophobicContact CG1-CD2 4.39Å; I897-F899 HydrophobicContact CG1-CE2 3.88Å; I897-F899 HydrophobicContact CG1-CZ 4.47Å; I897-F899 HydrophobicContact CG2-CE2 3.84Å; F899-V901 HydrophobicContact CB-CG1 4.43Å
900	L	94.7	Very high	87.5	Confident	57 Å²	57	69.9 Å²	69.9	30%	0.298	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	111.2	167.9	-63.4	-172.9	0	0	0	109	N846 K886 K887 F889	N846-L900 WeakPolarHBondContact OD1-CA 3.33Å; K886-L900 PolarHBondContact N-O 3.27Å; K887-L900 PolarHBondContact O-N 3.15Å; F889-L900 HydrophobicContact CD2-CG 4.46Å; F889-L900 HydrophobicContact CE2-CD1 3.62Å; F889-L900 HydrophobicContact CE2-CG 3.96Å; F889-L900 HydrophobicContact CZ-CD1 4.39Å
901	V	92.6	Very high	87	Confident	10 Å²	10	72.5 Å²	72.5	6%	0.061	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	142.9	179.6	-60.1	0	0	0	0	110.2	I845 N846 L880 S884 I885 F899	I845-V901 HydrophobicContact CG2-CB 4.38Å; I845-V901 HydrophobicContact CG2-CG1 4.09Å; I845-V901 HydrophobicContact CG2-CG2 3.39Å; N846-V901 WeakPolarHBondContact ND2-CG2 3.39Å; N846-V901 PolarHBondContact ND2-O 3.44Å; N846-V901 PolarHBondContact OD1-N 3.09Å; N846-V901 PolarHBondContact OD1-O 3.4Å; L880-V901 HydrophobicContact CD2-CG1 3.62Å; S884-V901 WeakPolarHBondContact O-CA 3.44Å; I885-V901 HydrophobicContact CG1-CG1 3.99Å; F899-V901 HydrophobicContact CB-CG1 4.43Å
902	Q	82.6	Confident	86.7	Confident	95 Å²	95	75.8 Å²	75.8	44%	0.444	40%	0.396	S	S	.	.			trans	-76.1	130.7	165.3	-122.1	161.4	-12.2	0	0	108.1	S884 K886	S884-Q902 PolarHBondContact O-N 3.14Å; K886-Q902 VanDerWaalsContact CE-CG 3.47Å; K886-Q902 VanDerWaalsContact CE-OE1 3.27Å
903	D	62	Low	87.4	Confident	200 Å²	200	70.8 Å²	70.8	100%	1.07	36%	0.355	S	S	*	.			trans	-63.3	0	174.4	-74.4	-30.5	0	0	0	111.7

Retrieved 903 of 903 residues in 250.5 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).