A0A5K4EZL3_SCHMA Loading...

2',3'-cyclic-nucleotide 3'-phosphodiesterase

Myelin-associated enzyme that catalyzes the phosphodiester hydrolysis of 2',3'-cyclic nucleotides to 2'-nucleotides. In the mitochondria, regulates the functioning of the mitochondrial permeability transition pore (mPTP), and thus is involved in the mechanisms of cell death, both apoptosis and necrosis. Acts as an antiviral factor by suppressing the assembly of SARS-CoV-2 virions.

AlphaFold DB , UniProt , Accession A0A5K4EZL3, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 564 aa.

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(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	29.8	Very low	31.5	Very low	248 Å²	248	135.5 Å²	135.5	100%	1.222	74%	0.739	S	S	*	*				0	111.3	0	-81.4	-178.4	175.7	0	0	108.1
2	G	28.9	Very low	32	Very low	65 Å²	65	129.9 Å²	129.9	67%	0.67	72%	0.717	S	S	*	*			trans	71.8	125.2	158.7	0	0	0	0	0	118.7
3	N	29.5	Very low	32	Very low	152 Å²	152	129.1 Å²	129.1	81%	0.813	72%	0.717	S	S	*	*			trans	102.5	132	143	-56.6	-22	0	0	0	119.3
4	I	31.3	Very low	31.9	Very low	161 Å²	161	124.6 Å²	124.6	83%	0.826	70%	0.699	S	S	*	*	S	Bend	trans	117.7	-4.3	138.3	-76.4	150.2	0	0	0	121.2
5	C	30.6	Very low	32.3	Very low	115 Å²	115	125.6 Å²	125.6	78%	0.777	69%	0.687	S	S	*	*			trans	-122	31.3	-176.1	-68.3	0	0	0	0	118.4
6	N	31.6	Very low	32	Very low	163 Å²	163	123.5 Å²	123.5	87%	0.872	68%	0.683	S	S	*	*			trans	-103.7	24	-177.7	-91.5	0.3	0	0	0	116.6
7	F	33.5	Very low	31.8	Very low	165 Å²	165	126.2 Å²	126.2	72%	0.724	70%	0.696	S	S	*	*			trans	-126.7	34.7	-168.5	-90.1	-77.7	0	0	0	117.1
8	L	29.7	Very low	31.6	Very low	100 Å²	100	124.4 Å²	124.4	52%	0.524	69%	0.693	S	S	.	*	S	Bend	trans	-135.1	30.1	178	-67.8	173.9	0	0	0	115.6	F125	L8-F125 HydrophobicContact CD2-CD2 3.72Å; L8-F125 HydrophobicContact CD2-CE2 3.61Å; L8-F125 HydrophobicContact CD2-CZ 4.48Å
9	C	33.9	Very low	31.2	Very low	53 Å²	53	125.2 Å²	125.2	36%	0.358	70%	0.701	S	S	.	*	S	Bend	trans	-146.6	137.6	167.3	-153.7	0	0	0	0	110	K11 V231	C9-K11 PolarHBondContact O-N 3.44Å; C9-V231 HydrophobicContact CB-CG1 3.6Å
10	P	33.9	Very low	31.2	Very low	80 Å²	80	124.9 Å²	124.9	52%	0.519	71%	0.708	S	S	.	*			trans	-62.4	129.8	175.9	-9.2	21.8	0	0	0	109.1	S12	P10-S12 PolarHBondContact O-N 3.46Å
11	K	33.9	Very low	31.2	Very low	189 Å²	189	127.7 Å²	127.7	82%	0.822	72%	0.715	S	S	*	*			trans	-62.1	122.3	152.3	-70	-176.6	177.9	-179	0	105.9	C9 V13	C9-K11 PolarHBondContact O-N 3.44Å; K11-V13 PolarHBondContact O-N 3.25Å
12	S	37.1	Very low	31.2	Very low	68 Å²	68	123.8 Å²	123.8	48%	0.476	70%	0.699	S	S	.	*			trans	-7.3	91.4	167.6	53.1	0	0	0	0	114.5	P10 G152	P10-S12 PolarHBondContact O-N 3.46Å; S12-G152 WeakPolarHBondContact CB-O 3.47Å
13	V	32.4	Very low	31.3	Very low	119 Å²	119	128.3 Å²	128.3	72%	0.721	71%	0.707	S	S	*	*			trans	-92.7	110.9	157.5	179.6	0	0	0	0	104.7	K11 R15	K11-V13 PolarHBondContact O-N 3.25Å; V13-R15 PolarHBondContact O-N 3Å
14	S	31.2	Very low	31.7	Very low	66 Å²	66	123.9 Å²	123.9	46%	0.462	69%	0.692	S	S	.	*			trans	-44.2	106.7	173.7	46	0	0	0	0	109.8	C16	S14-C16 PolarHBondContact O-N 3.26Å
15	R	36.6	Very low	32	Very low	140 Å²	140	122.3 Å²	122.3	53%	0.528	69%	0.69	S	S	.	*	S	Bend	trans	-69.4	3.4	176.8	-79	-178.9	175	169.9	1.7	113.1	V13 D144	V13-R15 PolarHBondContact O-N 3Å; R15-D144 IonicContact CZ-OD1 3.71Å; R15-D144 VanDerWaalsContact NH1-CG 3.33Å; R15-D144 IonicContact NH1-OD1 3.37Å; R15-D144 PolarHBondContact NH1-OD1 2.88Å; R15-D144 IonicContact NH1-OD2 3.91Å; R15-D144 PolarHBondContact NH1-OD2 2.84Å
16	C	28.3	Very low	32.2	Very low	92 Å²	92	122.6 Å²	122.6	62%	0.622	68%	0.683	S	S	*	*	S	Bend	trans	-116.6	121.4	170.1	-65.7	0	0	0	0	108.3	S14	S14-C16 PolarHBondContact O-N 3.26Å
17	L	28.7	Very low	32.3	Very low	170 Å²	170	118.2 Å²	118.2	89%	0.89	66%	0.657	S	S	*	*	S	Bend	trans	112.3	139.8	167.1	-59.9	157.5	0	0	0	116.7
18	S	27.7	Very low	32.7	Very low	94 Å²	94	112.6 Å²	112.6	66%	0.657	63%	0.634	S	S	*	*			trans	-64.9	143.1	-168.9	48.7	0	0	0	0	115.4
19	T	25.2	Very low	33.1	Very low	138 Å²	138	110.7 Å²	110.7	85%	0.847	63%	0.629	S	S	*	*			trans	21.5	96.7	149	54.6	0	0	0	0	116.9
20	S	31.1	Very low	33.2	Very low	120 Å²	120	110.6 Å²	110.6	84%	0.839	63%	0.625	S	S	*	*			trans	-168.4	145.1	136.3	40.9	0	0	0	0	110.3
21	E	29.6	Very low	33.6	Very low	183 Å²	183	107 Å²	107	86%	0.855	60%	0.602	S	S	*	*			trans	-60.7	138.7	-170.7	-62.4	158.8	147.2	0	0	112.6
22	L	29.8	Very low	33.8	Very low	167 Å²	167	105.5 Å²	105.5	87%	0.874	59%	0.591	S	S	*	*			trans	177.3	134.2	140	-90.7	143.8	0	0	0	110.5
23	D	32.2	Very low	33.9	Very low	159 Å²	159	104.4 Å²	104.4	85%	0.85	58%	0.58	S	S	*	*	S	Bend	trans	79.7	38.6	167.2	-64.8	-10.8	0	0	0	121.7
24	A	36.8	Very low	34	Very low	59 Å²	59	101 Å²	101	49%	0.488	56%	0.557	S	S	.	*			trans	-97.3	-1.3	178.1	0	0	0	0	0	117	I26 D28	A24-I26 PolarHBondContact O-N 3.05Å; A24-D28 HydrophobicContact CB-CB 4.5Å; A24-D28 WeakPolarHBondContact O-CB 3.34Å; A24-D28 PolarHBondContact O-N 2.8Å
25	T	37.7	Very low	34.3	Very low	128 Å²	128	101 Å²	101	79%	0.785	56%	0.557	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.8	-19.3	-153.1	48.4	0	0	0	0	118.3
26	I	34.6	Very low	34.2	Very low	121 Å²	121	97.5 Å²	97.5	62%	0.621	56%	0.557	S	S	*	*	T	Hydrogen-bonded Turn	trans	-103.2	-47.4	-176.9	-59.9	173.9	0	0	0	112.1	A24 D28 S29	A24-I26 PolarHBondContact O-N 3.05Å; I26-D28 VanDerWaalsContact C-N 3.32Å; I26-D28 PolarHBondContact O-N 3.36Å; I26-S29 PolarHBondContact O-N 3.37Å; I26-S29 PolarHBondContact O-OG 3.19Å
27	H	34.2	Very low	34.6	Very low	72 Å²	72	99.8 Å²	99.8	33%	0.333	56%	0.563	S	S	.	*	H	α-helix	trans	-71.2	-28.5	-178.1	-163.1	-61.7	0	0	0	112.7	S29 V31	H27-S29 VanDerWaalsContact C-N 3.27Å; H27-S29 PolarHBondContact O-N 2.89Å; H27-V31 WeakPolarHBondContact O-CG2 3.43Å; H27-V31 PolarHBondContact O-N 3.32Å
28	D	41.4	Very low	34.8	Very low	46 Å²	46	100.3 Å²	100.3	25%	0.246	56%	0.561	C	S	.	*	H	α-helix	trans	-71.2	-25.8	177.5	-156.9	9.2	0	0	0	111.1	A24 I26 R32	A24-D28 HydrophobicContact CB-CB 4.5Å; A24-D28 WeakPolarHBondContact O-CB 3.34Å; A24-D28 PolarHBondContact O-N 2.8Å; I26-D28 VanDerWaalsContact C-N 3.32Å; I26-D28 PolarHBondContact O-N 3.36Å; D28-R32 VanDerWaalsContact CG-CZ 3.5Å; D28-R32 WeakPolarHBondContact O-CB 3.08Å; D28-R32 WeakPolarHBondContact O-CD 3.29Å; D28-R32 WeakPolarHBondContact O-CG 3.47Å; D28-R32 PolarHBondContact O-N 2.95Å; D28-R32 WeakPolarHBondContact OD1-CD 3.41Å; D28-R32 WeakPolarHBondContact OD1-CG 3.39Å; D28-R32 IonicContact OD1-CZ 2.84Å; D28-R32 IonicContact OD1-NE 3.12Å; D28-R32 PolarHBondContact OD1-NE 2.87Å; D28-R32 IonicContact OD1-NH2 3Å; D28-R32 IonicContact OD2-CZ 2.89Å; D28-R32 IonicContact OD2-NE 3.71Å; D28-R32 PolarHBondContact OD2-NE 3.46Å; D28-R32 VanDerWaalsContact OD2-NE 3.08Å; D28-R32 IonicContact OD2-NH2 3.22Å; D28-R32 PolarHBondContact OD2-NH2 2.81Å
29	S	39.9	Very low	35	Very low	60 Å²	60	100.9 Å²	100.9	42%	0.42	57%	0.571	S	S	.	*	H	α-helix	trans	-70.1	-45.8	177.2	75.7	0	0	0	0	112.8	I26 H27 V31 L33	I26-S29 PolarHBondContact O-N 3.37Å; I26-S29 PolarHBondContact O-OG 3.19Å; H27-S29 VanDerWaalsContact C-N 3.27Å; H27-S29 PolarHBondContact O-N 2.89Å; S29-V31 PolarHBondContact O-N 3.36Å; S29-L33 WeakPolarHBondContact O-CB 3.45Å; S29-L33 PolarHBondContact O-N 2.83Å; S29-L33 VanDerWaalsContact O-N 3.12Å
30	D	35.3	Very low	35.2	Very low	51 Å²	51	99.7 Å²	99.7	27%	0.273	56%	0.564	S	S	.	*	H	α-helix	trans	-69.3	-35.6	-177.1	-80.7	-24.6	0	0	0	112.4	P85	D30-P85 WeakPolarHBondContact OD1-CD 3.46Å
31	V	41.4	Very low	35.1	Very low	5 Å²	5	99.7 Å²	99.7	3%	0.03	56%	0.561	C	S	.	*	H	α-helix	trans	-86	-34.9	-179.4	-164	0	0	0	0	112.1	H27 S29 L33 L34 I132	H27-V31 WeakPolarHBondContact O-CG2 3.43Å; H27-V31 PolarHBondContact O-N 3.32Å; S29-V31 PolarHBondContact O-N 3.36Å; V31-L33 PolarHBondContact O-N 2.74Å; V31-L34 HydrophobicContact CG1-CD1 4.21Å; V31-L34 WeakPolarHBondContact O-CB 3.33Å; V31-L34 PolarHBondContact O-N 3.29Å; V31-L34 VanDerWaalsContact O-N 3.1Å; V31-I132 HydrophobicContact CB-CD1 3.54Å; V31-I132 HydrophobicContact CG1-CB 3.82Å; V31-I132 HydrophobicContact CG1-CD1 3.23Å; V31-I132 HydrophobicContact CG1-CG1 4.07Å; V31-I132 HydrophobicContact CG1-CG2 3.76Å; V31-I132 HydrophobicContact CG2-CD1 4.09Å
32	R	39.7	Very low	35.1	Very low	157 Å²	157	97.6 Å²	97.6	59%	0.592	56%	0.56	S	S	*	*	H	α-helix	trans	-61.2	-33.3	169.7	-74.6	175.3	-173	-165.4	3.1	112	D28 L34 C35 A36	D28-R32 VanDerWaalsContact CG-CZ 3.5Å; D28-R32 WeakPolarHBondContact O-CB 3.08Å; D28-R32 WeakPolarHBondContact O-CD 3.29Å; D28-R32 WeakPolarHBondContact O-CG 3.47Å; D28-R32 PolarHBondContact O-N 2.95Å; D28-R32 WeakPolarHBondContact OD1-CD 3.41Å; D28-R32 WeakPolarHBondContact OD1-CG 3.39Å; D28-R32 IonicContact OD1-CZ 2.84Å; D28-R32 IonicContact OD1-NE 3.12Å; D28-R32 PolarHBondContact OD1-NE 2.87Å; D28-R32 IonicContact OD1-NH2 3Å; D28-R32 IonicContact OD2-CZ 2.89Å; D28-R32 IonicContact OD2-NE 3.71Å; D28-R32 PolarHBondContact OD2-NE 3.46Å; D28-R32 VanDerWaalsContact OD2-NE 3.08Å; D28-R32 IonicContact OD2-NH2 3.22Å; D28-R32 PolarHBondContact OD2-NH2 2.81Å; R32-L34 PolarHBondContact O-N 3.21Å; R32-C35 PolarHBondContact O-N 2.92Å; R32-A36 PolarHBondContact O-N 2.89Å
33	L	37.4	Very low	35.1	Very low	46 Å²	46	94.8 Å²	94.8	24%	0.241	55%	0.552	C	S	.	*	H	α-helix	trans	-66.8	-13	176.3	-137	85.8	0	0	0	114.1	S29 V31 L82	S29-L33 WeakPolarHBondContact O-CB 3.45Å; S29-L33 PolarHBondContact O-N 2.83Å; S29-L33 VanDerWaalsContact O-N 3.12Å; V31-L33 PolarHBondContact O-N 2.74Å; L33-L82 HydrophobicContact CD1-CD2 4.09Å; L33-L82 HydrophobicContact CG-CD2 4.5Å
34	L	35.4	Very low	35	Very low	48 Å²	48	93 Å²	93	25%	0.251	55%	0.547	S	S	.	.	H	α-helix	trans	-80.2	-22.6	171.8	-65.4	170.4	0	0	0	112	V31 R32 K89 V92	V31-L34 HydrophobicContact CG1-CD1 4.21Å; V31-L34 WeakPolarHBondContact O-CB 3.33Å; V31-L34 PolarHBondContact O-N 3.29Å; V31-L34 VanDerWaalsContact O-N 3.1Å; R32-L34 PolarHBondContact O-N 3.21Å; L34-K89 HydrophobicContact CD2-CB 4.49Å; L34-K89 HydrophobicContact CD2-CD 4.29Å; L34-K89 HydrophobicContact CD2-CG 3.46Å; L34-K89 VanDerWaalsContact CD2-CG 3.46Å; L34-V92 HydrophobicContact CD1-CG2 4.27Å; L34-V92 HydrophobicContact CD2-CG2 4.25Å
35	C	38.4	Very low	34.7	Very low	66 Å²	66	99.4 Å²	99.4	45%	0.446	57%	0.566	S	S	.	*	H	α-helix	trans	-104.4	-14.1	-175	-59.7	0	0	0	0	114	R32 N37	R32-C35 PolarHBondContact O-N 2.92Å; C35-N37 PolarHBondContact O-N 3.06Å
36	A	34	Very low	34.2	Very low	66 Å²	66	100.1 Å²	100.1	55%	0.545	57%	0.566	S	S	.	*			trans	-90.7	77.9	178.2	0	0	0	0	0	112	R32	R32-A36 PolarHBondContact O-N 2.89Å
37	N	36.4	Very low	34.3	Very low	139 Å²	139	100.1 Å²	100.1	74%	0.743	58%	0.576	S	S	*	*			trans	-115.8	81.9	162.9	-83.9	-23.1	0	0	0	109	C35	C35-N37 PolarHBondContact O-N 3.06Å
38	E	32.1	Very low	34.2	Very low	182 Å²	182	103.6 Å²	103.6	85%	0.85	60%	0.597	S	S	*	*			trans	-118.2	109.1	157.2	-77.2	-170.1	163.6	0	0	108.2
39	A	32.3	Very low	33.8	Very low	105 Å²	105	109.4 Å²	109.4	87%	0.868	62%	0.623	S	S	*	*			trans	-89.3	99.6	164.6	0	0	0	0	0	107.7
40	V	30.1	Very low	33.5	Very low	114 Å²	114	114.1 Å²	114.1	69%	0.691	64%	0.638	S	S	*	*			trans	-72.2	133.5	167.9	178.9	0	0	0	0	108.5
41	P	27.7	Very low	33.3	Very low	120 Å²	120	116.9 Å²	116.9	78%	0.779	66%	0.657	S	S	*	*			trans	-82.3	134.3	179.1	14.2	-0.4	0	0	0	111.3
42	V	30.3	Very low	32.6	Very low	139 Å²	139	122.5 Å²	122.5	84%	0.842	69%	0.691	S	S	*	*			trans	-110	132.2	170.4	-174	0	0	0	0	109.5
43	P	28.9	Very low	32.1	Very low	107 Å²	107	119.3 Å²	119.3	70%	0.695	70%	0.698	S	S	*	*			trans	-99.4	144.5	-172.9	10	11.1	0	0	0	115.2
44	V	30	Very low	31.8	Very low	123 Å²	123	123.3 Å²	123.3	75%	0.745	72%	0.724	S	S	*	*			trans	65.5	121.9	140.6	-172.5	0	0	0	0	119.9
45	E	32.3	Very low	31.6	Very low	192 Å²	192	126.4 Å²	126.4	90%	0.897	75%	0.745	S	S	*	*				-159.9	124.6	119.7	-107.1	174.1	-162.8	0	0	111.4
46	N	27.2	Very low	31.3	Very low	144 Å²	144	130.7 Å²	130.7	77%	0.77	76%	0.758	S	S	*	*			trans	-81.7	138.8	175.7	-76.3	-16.5	0	0	0	110.2
47	S	35.9	Very low	31.4	Very low	121 Å²	121	135.1 Å²	135.1	85%	0.846	77%	0.765	S	S	*	*			trans	-151.1	127.4	141.6	41.1	0	0	0	0	109.3
48	D	31.2	Very low	31.2	Very low	144 Å²	144	134.9 Å²	134.9	77%	0.77	76%	0.759	S	S	*	*			trans	-82.1	170.8	-169.1	-72.2	-57.2	0	0	0	113.7
49	E	33.1	Very low	31.3	Very low	168 Å²	168	132.7 Å²	132.7	79%	0.785	75%	0.753	S	S	*	*			trans	106.5	97.9	146.9	-59.1	-162.1	154.6	0	0	120
50	H	33.5	Very low	31.3	Very low	159 Å²	159	133.7 Å²	133.7	74%	0.736	75%	0.748	S	S	*	*				78	110.9	118.2	-74.2	-58.7	0	0	0	122.9
51	V	31.2	Very low	31.4	Very low	110 Å²	110	132.9 Å²	132.9	67%	0.667	75%	0.747	S	S	*	*				93.3	109.2	115.5	173.6	0	0	0	0	120.2
52	T	27.7	Very low	31.8	Very low	123 Å²	123	135.4 Å²	135.4	76%	0.755	75%	0.746	S	S	*	*			trans	60.2	113.3	142.5	58.1	0	0	0	0	123.4
53	A	29.8	Very low	31.9	Very low	89 Å²	89	136.3 Å²	136.3	74%	0.736	74%	0.741	S	S	*	*				80	133.3	112.8	0	0	0	0	0	122.1
54	V	30	Very low	32.2	Very low	130 Å²	130	139.5 Å²	139.5	79%	0.788	75%	0.746	S	S	*	*			trans	100.7	100.1	141.2	177	0	0	0	0	119.4
55	V	30.4	Very low	32.3	Very low	113 Å²	113	141.3 Å²	141.3	69%	0.685	75%	0.747	S	S	*	*				84.8	126.5	120.3	177	0	0	0	0	123.3
56	H	33.7	Very low	32.4	Very low	156 Å²	156	141.3 Å²	141.3	72%	0.722	74%	0.743	S	S	*	*			trans	83.8	122.7	144.2	-83.5	-34.1	0	0	0	124.7
57	K	34.7	Very low	32.6	Very low	159 Å²	159	138.9 Å²	138.9	69%	0.691	74%	0.738	S	S	*	*				59.2	147.2	127.1	-80.8	-177.3	166.5	-163.9	0	118.9
58	E	33.5	Very low	32.6	Very low	134 Å²	134	140 Å²	140	63%	0.626	73%	0.734	S	S	*	*			cis	-173.2	161.6	-5.1	-128.1	172.4	158.8	0	0	106.9
59	L	32.6	Very low	32.5	Very low	137 Å²	137	140.5 Å²	140.5	72%	0.717	74%	0.737	S	S	*	*			trans	74.9	111.9	148.1	-67.1	156.1	0	0	0	120.3
60	V	32.7	Very low	32.6	Very low	126 Å²	126	137.9 Å²	137.9	76%	0.764	74%	0.738	S	S	*	*				81.7	135.3	93.2	169	0	0	0	0	111.8
61	S	33.5	Very low	32.4	Very low	96 Å²	96	136.8 Å²	136.8	67%	0.671	74%	0.742	S	S	*	*			cis	-171.5	156.8	19.7	33.4	0	0	0	0	112.4
62	K	34.7	Very low	32.5	Very low	174 Å²	174	140 Å²	140	76%	0.757	75%	0.749	S	S	*	*			trans	74.2	123.3	132.9	-76.2	176.3	172.2	-173	0	124.3
63	H	33.4	Very low	32.6	Very low	158 Å²	158	141.8 Å²	141.8	73%	0.731	76%	0.755	S	S	*	*				74.9	124.6	127.1	-70	-53.2	0	0	0	123.3
64	Q	34.3	Very low	32.8	Very low	173 Å²	173	144.8 Å²	144.8	81%	0.808	75%	0.753	S	S	*	*				153.1	111.2	118.2	-89.7	179.1	-18.6	0	0	110.1
65	E	32	Very low	32.6	Very low	162 Å²	162	147.4 Å²	147.4	76%	0.757	76%	0.762	S	S	*	*				65.8	113.7	96.4	-82.2	-170.8	177	0	0	116.2
66	K	34.5	Very low	32.6	Very low	191 Å²	191	150 Å²	150	83%	0.83	76%	0.764	S	S	*	*				166.9	118	115.9	-93	175.7	-177.2	177.7	0	115.1
67	S	32.6	Very low	32.2	Very low	93 Å²	93	148.5 Å²	148.5	65%	0.65	77%	0.771	S	S	*	*				51.7	130.7	127.2	71.6	0	0	0	0	124.5
68	N	34.8	Very low	31.8	Very low	144 Å²	144	146.5 Å²	146.5	77%	0.77	77%	0.767	S	S	*	*			trans	103.9	105.4	133.2	-67.8	-8.2	0	0	0	121.5
69	N	30	Very low	31.4	Very low	155 Å²	155	145.7 Å²	145.7	83%	0.829	78%	0.775	S	S	*	*			trans	22.8	119.3	133.3	-65.7	-8.1	0	0	0	120.2
70	S	34.6	Very low	31.1	Very low	114 Å²	114	148.4 Å²	148.4	80%	0.797	78%	0.778	S	S	*	*				-175.8	137.5	115	55.5	0	0	0	0	111.5
71	T	29.3	Very low	30.9	Very low	135 Å²	135	147.3 Å²	147.3	83%	0.828	78%	0.776	S	S	*	*			trans	-44.7	129.5	175.1	41.5	0	0	0	0	115.4
72	H	35.1	Very low	30.7	Very low	177 Å²	177	149.2 Å²	149.2	82%	0.819	78%	0.778	S	S	*	*			trans	-147.5	117.1	154.6	-115.4	-72.1	0	0	0	109.7	Q74	H72-Q74 PolarHBondContact O-N 2.75Å
73	D	29.2	Very low	30.5	Very low	162 Å²	162	148.5 Å²	148.5	87%	0.866	78%	0.777	S	S	*	*			trans	-56.2	118.8	166.6	-85	-41.1	0	0	0	110.3
74	Q	33.5	Very low	30.9	Very low	151 Å²	151	142 Å²	142	71%	0.706	75%	0.753	S	S	*	*			trans	-144.1	110.7	156.7	-74.6	-164.6	-1.4	0	0	110	H72 K76	H72-Q74 PolarHBondContact O-N 2.75Å; Q74-K76 PolarHBondContact O-N 2.89Å; Q74-K76 VanDerWaalsContact O-N 3.15Å
75	L	26.8	Very low	31.2	Very low	185 Å²	185	137.1 Å²	137.1	97%	0.969	74%	0.736	S	S	*	*			trans	-50.4	111	159.6	-78.5	148	0	0	0	110
76	K	29.6	Very low	31.9	Very low	168 Å²	168	136.6 Å²	136.6	73%	0.73	73%	0.731	S	S	*	*			trans	-136.4	126.1	160.6	-86.6	-177.3	178.4	171.7	0	109.9	Q74 I78	Q74-K76 PolarHBondContact O-N 2.89Å; Q74-K76 VanDerWaalsContact O-N 3.15Å; K76-I78 PolarHBondContact O-N 3.17Å
77	S	25.5	Very low	32.7	Very low	124 Å²	124	131.6 Å²	131.6	87%	0.867	72%	0.717	S	S	*	*			trans	-43.7	122.7	175.7	53.3	0	0	0	0	113.3
78	I	25.8	Very low	33.8	Very low	118 Å²	118	129 Å²	129	61%	0.605	70%	0.695	S	S	*	*			trans	-109.3	110.6	166.3	-63.2	173.1	0	0	0	107.3	K76 Y80	K76-I78 PolarHBondContact O-N 3.17Å; I78-Y80 HydrophobicContact CB-CE2 4.02Å; I78-Y80 HydrophobicContact CG2-CD1 4.43Å; I78-Y80 HydrophobicContact CG2-CD2 4.11Å; I78-Y80 HydrophobicContact CG2-CE1 4.12Å; I78-Y80 HydrophobicContact CG2-CE2 3.78Å; I78-Y80 HydrophobicContact CG2-CG 4.43Å; I78-Y80 WeakPolarHBondContact O-CD2 3.46Å; I78-Y80 PolarHBondContact O-N 2.94Å
79	S	25.2	Very low	35.2	Very low	116 Å²	116	126.4 Å²	126.4	81%	0.811	68%	0.677	S	S	*	*			trans	-67.4	110.5	165.9	54.2	0	0	0	0	109.1
80	Y	27.1	Very low	37.2	Very low	194 Å²	194	124.1 Å²	124.1	76%	0.761	66%	0.661	S	S	*	*			trans	-85.8	120.4	174	-73.9	-83.2	0	0	0	110.5	I78	I78-Y80 HydrophobicContact CB-CE2 4.02Å; I78-Y80 HydrophobicContact CG2-CD1 4.43Å; I78-Y80 HydrophobicContact CG2-CD2 4.11Å; I78-Y80 HydrophobicContact CG2-CE1 4.12Å; I78-Y80 HydrophobicContact CG2-CE2 3.78Å; I78-Y80 HydrophobicContact CG2-CG 4.43Å; I78-Y80 WeakPolarHBondContact O-CD2 3.46Å; I78-Y80 PolarHBondContact O-N 2.94Å
81	S	27.8	Very low	39.4	Very low	104 Å²	104	121.6 Å²	121.6	73%	0.727	64%	0.635	S	S	*	*			trans	-65.8	131.1	174.3	61.3	0	0	0	0	111.9	Q83	S81-Q83 PolarHBondContact O-N 3.11Å; S81-Q83 VanDerWaalsContact O-N 3.17Å
82	L	28.9	Very low	41.9	Very low	136 Å²	136	115.6 Å²	115.6	71%	0.712	60%	0.598	S	S	*	*			trans	-64.7	104.3	174.6	-84.7	83.2	0	0	0	112.2	L33	L33-L82 HydrophobicContact CD1-CD2 4.09Å; L33-L82 HydrophobicContact CG-CD2 4.5Å
83	Q	31.7	Very low	44.2	Very low	158 Å²	158	113 Å²	113	74%	0.738	58%	0.584	S	S	*	*			trans	-140.6	87.7	159.3	-69.5	-169.8	13.8	0	0	110.4	S81	S81-Q83 PolarHBondContact O-N 3.11Å; S81-Q83 VanDerWaalsContact O-N 3.17Å
84	G	40	Very low	46.9	Very low	23 Å²	23	106.1 Å²	106.1	24%	0.237	55%	0.547	C	S	.	.			trans	-68.9	166.3	161.4	0	0	0	0	0	111.7	K86	G84-K86 PolarHBondContact O-N 3.29Å
85	P	41	Very low	49.4	Very low	69 Å²	69	99.6 Å²	99.6	45%	0.448	52%	0.517	S	S	.	.			trans	-61.3	112	-172	-15.1	26.4	0	0	0	111.3	D30 V87 I88	D30-P85 WeakPolarHBondContact OD1-CD 3.46Å; P85-V87 PolarHBondContact O-N 2.87Å; P85-I88 PolarHBondContact O-N 3.19Å
86	K	47.8	Very low	52.3	Low	151 Å²	151	91 Å²	91	66%	0.657	47%	0.472	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50.8	-27	-178.8	-75.1	177.4	176.5	174.7	0	114.3	G84 K89	G84-K86 PolarHBondContact O-N 3.29Å; K86-K89 PolarHBondContact O-N 3.26Å
87	V	50.2	Low	55.2	Low	86 Å²	86	83.9 Å²	83.9	52%	0.521	44%	0.442	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.7	-35.4	-170.6	-174.7	0	0	0	0	113.1	P85 K89 E90 Y91	P85-V87 PolarHBondContact O-N 2.87Å; V87-K89 VanDerWaalsContact C-N 3.34Å; V87-K89 PolarHBondContact O-N 2.61Å; V87-E90 PolarHBondContact O-N 2.9Å; V87-Y91 HydrophobicContact CG1-CE2 3.9Å
88	I	55.9	Low	58.1	Low	40 Å²	40	82.2 Å²	82.2	21%	0.205	43%	0.427	C	S	.	.	H	α-helix	trans	-69	-37.1	-179.6	-68	174	0	0	0	110.8	P85 E90 Y91 V92 F125	P85-I88 PolarHBondContact O-N 3.19Å; I88-E90 PolarHBondContact O-N 2.98Å; I88-E90 VanDerWaalsContact O-N 3.11Å; I88-Y91 PolarHBondContact O-N 2.99Å; I88-V92 WeakPolarHBondContact O-CG2 3.33Å; I88-F125 HydrophobicContact CG2-CE1 4.08Å; I88-F125 HydrophobicContact CG2-CZ 3.54Å
89	K	64.5	Low	61.1	Low	88 Å²	88	79.4 Å²	79.4	38%	0.383	41%	0.413	S	S	.	.	H	α-helix	trans	-61.5	-19.4	179.5	-77.1	-177.5	177.3	-167.6	0	113.5	L34 K86 V87 K93	L34-K89 HydrophobicContact CD2-CB 4.49Å; L34-K89 HydrophobicContact CD2-CD 4.29Å; L34-K89 HydrophobicContact CD2-CG 3.46Å; L34-K89 VanDerWaalsContact CD2-CG 3.46Å; K86-K89 PolarHBondContact O-N 3.26Å; V87-K89 VanDerWaalsContact C-N 3.34Å; V87-K89 PolarHBondContact O-N 2.61Å; K89-K93 WeakPolarHBondContact O-CE 3.38Å; K89-K93 WeakPolarHBondContact O-CG 3.42Å
90	E	72.3	Confident	64.1	Low	107 Å²	107	78.3 Å²	78.3	50%	0.5	40%	0.398	S	S	.	.	H	α-helix	trans	-81.3	-33.2	-177.4	-68.6	-174.1	168.9	0	0	113.7	V87 I88	V87-E90 PolarHBondContact O-N 2.9Å; I88-E90 PolarHBondContact O-N 2.98Å; I88-E90 VanDerWaalsContact O-N 3.11Å
91	Y	80.6	Confident	67	Low	61 Å²	61	71.1 Å²	71.1	24%	0.239	37%	0.371	C	S	.	.	H	α-helix	trans	-92	-4	-174.4	-50.5	-47.7	0	0	0	114.5	V87 I88 T217 P218 W219	V87-Y91 HydrophobicContact CG1-CE2 3.9Å; I88-Y91 PolarHBondContact O-N 2.99Å; Y91-T217 HydrophobicContact CG-CG2 4.43Å; Y91-P218 HydrophobicContact CE1-CG 3.63Å; Y91-W219 HydrophobicContact CE2-CH2 4.31Å; Y91-W219 HydrophobicContact CE2-CZ3 4.31Å
92	V	81.3	Confident	69.8	Low	9 Å²	9	66.2 Å²	66.2	6%	0.055	34%	0.337	C	S	.	.	T	Hydrogen-bonded Turn	trans	-115.2	22.1	-179.5	-61.1	0	0	0	0	112.8	L34 I88 F94 L97 F125	L34-V92 HydrophobicContact CD1-CG2 4.27Å; L34-V92 HydrophobicContact CD2-CG2 4.25Å; I88-V92 WeakPolarHBondContact O-CG2 3.33Å; V92-F94 PolarHBondContact O-N 2.73Å; V92-L97 HydrophobicContact CB-CD1 3.96Å; V92-F125 HydrophobicContact CG1-CD1 4.42Å; V92-F125 HydrophobicContact CG1-CE1 3.74Å
93	K	83.5	Confident	72.6	Confident	123 Å²	123	59.7 Å²	59.7	54%	0.535	30%	0.303	S	S	.	.			trans	-76.3	47.1	179.1	-66.1	-177.8	174.8	166.4	0	112.9	K89	K89-K93 WeakPolarHBondContact O-CE 3.38Å; K89-K93 WeakPolarHBondContact O-CG 3.42Å
94	F	86.4	Confident	75.3	Confident	18 Å²	18	54.1 Å²	54.1	8%	0.079	28%	0.278	C	S	.	.			trans	-84.6	138.2	172.4	-63.9	-82.9	0	0	0	109.9	V92 F96 L97 T98 L126 V213 Q216	V92-F94 PolarHBondContact O-N 2.73Å; F94-F96 HydrophobicContact CB-CD1 3.71Å; F94-F96 HydrophobicContact CB-CD2 4.19Å; F94-F96 HydrophobicContact CB-CE1 3.33Å; F94-F96 HydrophobicContact CB-CE2 3.85Å; F94-F96 HydrophobicContact CB-CG 4.1Å; F94-F96 HydrophobicContact CB-CZ 3.37Å; F94-F96 AromaticContact CD1-CE1 3.57Å; F94-F96 HydrophobicContact CD1-CE1 3.57Å; F94-F96 AromaticContact CD1-CZ 3.78Å; F94-F96 HydrophobicContact CD1-CZ 3.78Å; F94-F96 HydrophobicContact CD2-CE1 4.48Å; F94-F96 AromaticContact CD2-CZ 3.9Å; F94-F96 HydrophobicContact CD2-CZ 3.9Å; F94-F96 HydrophobicContact CE1-CE1 4.49Å; F94-F96 HydrophobicContact CG-CD1 4.4Å; F94-F96 AromaticContact CG-CE1 3.55Å; F94-F96 HydrophobicContact CG-CE1 3.55Å; F94-F96 HydrophobicContact CG-CE2 4.21Å; F94-F96 AromaticContact CG-CZ 3.4Å; F94-F96 HydrophobicContact CG-CZ 3.4Å; F94-F96 VanDerWaalsContact CG-CZ 3.4Å; F94-F96 PolarHBondContact O-N 2.7Å; F94-L97 HydrophobicContact CB-CD1 4.49Å; F94-L97 HydrophobicContact CB-CG 4.44Å; F94-L97 HydrophobicContact CD2-CD1 4.17Å; F94-L97 PolarHBondContact O-N 3.22Å; F94-T98 PolarHBondContact O-N 3.21Å; F94-T98 VanDerWaalsContact O-N 3.14Å; F94-T98 PolarHBondContact O-OG1 3.19Å; F94-L126 HydrophobicContact CD2-CD1 3.83Å; F94-L126 HydrophobicContact CE2-CD1 3.71Å; F94-L126 HydrophobicContact CE2-CD2 4.04Å; F94-L126 HydrophobicContact CZ-CD2 4.26Å; F94-V213 HydrophobicContact CD1-CG1 4.08Å; F94-V213 HydrophobicContact CE1-CG1 3.48Å; F94-V213 VanDerWaalsContact CE1-CG1 3.48Å; F94-V213 HydrophobicContact CE2-CG1 4.36Å; F94-V213 HydrophobicContact CZ-CG1 3.64Å; F94-Q216 HydrophobicContact CE1-CG 4.05Å; F94-Q216 HydrophobicContact CE2-CG 4.43Å; F94-Q216 HydrophobicContact CZ-CB 4.45Å; F94-Q216 HydrophobicContact CZ-CG 3.68Å
95	P	86.6	Confident	77.5	Confident	13 Å²	13	53 Å²	53	8%	0.084	27%	0.267	C	S	.	.	H	α-helix	trans	-51.4	-43.2	175.9	-28.6	35.3	0	0	0	112.3	L97 T98 D99 I102 K393	P95-L97 PolarHBondContact O-N 2.83Å; P95-L97 VanDerWaalsContact O-N 3.1Å; P95-T98 PolarHBondContact O-N 2.89Å; P95-T98 VanDerWaalsContact O-N 3.08Å; P95-D99 WeakPolarHBondContact O-CB 3.27Å; P95-D99 PolarHBondContact O-N 3.49Å; P95-I102 WeakPolarHBondContact O-CG2 3.43Å; P95-K393 HydrophobicContact CB-CG 3.94Å; P95-K393 HydrophobicContact CG-CD 4.39Å; P95-K393 HydrophobicContact CG-CG 3.58Å
96	F	87.8	Confident	79.7	Confident	4 Å²	4	49.8 Å²	49.8	2%	0.018	25%	0.246	C	C	.	.	H	α-helix	trans	-63.7	-15.6	179.2	62.8	-103.9	0	0	0	115.2	F94 I106 F113 I130 F134 I211 V213	F94-F96 HydrophobicContact CB-CD1 3.71Å; F94-F96 HydrophobicContact CB-CD2 4.19Å; F94-F96 HydrophobicContact CB-CE1 3.33Å; F94-F96 HydrophobicContact CB-CE2 3.85Å; F94-F96 HydrophobicContact CB-CG 4.1Å; F94-F96 HydrophobicContact CB-CZ 3.37Å; F94-F96 AromaticContact CD1-CE1 3.57Å; F94-F96 HydrophobicContact CD1-CE1 3.57Å; F94-F96 AromaticContact CD1-CZ 3.78Å; F94-F96 HydrophobicContact CD1-CZ 3.78Å; F94-F96 HydrophobicContact CD2-CE1 4.48Å; F94-F96 AromaticContact CD2-CZ 3.9Å; F94-F96 HydrophobicContact CD2-CZ 3.9Å; F94-F96 HydrophobicContact CE1-CE1 4.49Å; F94-F96 HydrophobicContact CG-CD1 4.4Å; F94-F96 AromaticContact CG-CE1 3.55Å; F94-F96 HydrophobicContact CG-CE1 3.55Å; F94-F96 HydrophobicContact CG-CE2 4.21Å; F94-F96 AromaticContact CG-CZ 3.4Å; F94-F96 HydrophobicContact CG-CZ 3.4Å; F94-F96 VanDerWaalsContact CG-CZ 3.4Å; F94-F96 PolarHBondContact O-N 2.7Å; F96-I106 HydrophobicContact CB-CD1 3.42Å; F96-I106 VanDerWaalsContact CB-CD1 3.42Å; F96-F113 HydrophobicContact CB-CE1 4.04Å; F96-F113 HydrophobicContact CB-CZ 4.03Å; F96-F113 AromaticContact CD1-CE1 3.75Å; F96-F113 HydrophobicContact CD1-CE1 3.75Å; F96-F113 AromaticContact CD2-CE1 3.83Å; F96-F113 HydrophobicContact CD2-CE1 3.83Å; F96-F113 HydrophobicContact CD2-CZ 4.07Å; F96-F113 HydrophobicContact CE1-CD1 4.47Å; F96-F113 HydrophobicContact CE1-CE1 4.12Å; F96-F113 HydrophobicContact CE2-CE1 4.21Å; F96-F113 AromaticContact CG-CE1 3.61Å; F96-F113 HydrophobicContact CG-CE1 3.61Å; F96-F113 AromaticContact CG-CZ 4Å; F96-F113 HydrophobicContact CG-CZ 4Å; F96-F113 HydrophobicContact CZ-CE1 4.37Å; F96-I130 HydrophobicContact CD2-CG1 4.42Å; F96-I130 HydrophobicContact CE2-CD1 4.01Å; F96-I130 HydrophobicContact CE2-CG1 3.9Å; F96-F134 WeakPolarHBondContact O-CE2 3.25Å; F96-F134 VanDerWaalsContact O-CZ 3.29Å; F96-F134 WeakPolarHBondContact O-CZ 3.5Å; F96-I211 HydrophobicContact CE1-CG2 4.44Å; F96-V213 HydrophobicContact CE1-CG1 4.26Å; F96-V213 HydrophobicContact CE1-CG2 3.89Å; F96-V213 HydrophobicContact CZ-CG1 3.98Å; F96-V213 HydrophobicContact CZ-CG2 3.95Å
97	L	89.5	Confident	81.6	Confident	20 Å²	20	44.7 Å²	44.7	11%	0.105	23%	0.225	C	C	.	.	H	α-helix	trans	-100	-23	173.4	-66.7	178.4	0	0	0	113.2	V92 F94 P95 L126 C129 I130 R133	V92-L97 HydrophobicContact CB-CD1 3.96Å; F94-L97 HydrophobicContact CB-CD1 4.49Å; F94-L97 HydrophobicContact CB-CG 4.44Å; F94-L97 HydrophobicContact CD2-CD1 4.17Å; F94-L97 PolarHBondContact O-N 3.22Å; P95-L97 PolarHBondContact O-N 2.83Å; P95-L97 VanDerWaalsContact O-N 3.1Å; L97-L126 HydrophobicContact CD1-CD1 3.69Å; L97-C129 HydrophobicContact CD1-CB 4.04Å; L97-C129 HydrophobicContact CD2-CB 4.37Å; L97-I130 HydrophobicContact CD2-CG1 3.99Å; L97-R133 HydrophobicContact CD2-CB 4.1Å; L97-R133 HydrophobicContact CD2-CG 4.49Å
98	T	87.1	Confident	83.2	Confident	88 Å²	88	42.8 Å²	42.8	54%	0.54	21%	0.21	S	C	.	.	H	α-helix	trans	-114.6	-26.5	-165.1	53.1	0	0	0	0	114	F94 P95	F94-T98 PolarHBondContact O-N 3.21Å; F94-T98 VanDerWaalsContact O-N 3.14Å; F94-T98 PolarHBondContact O-OG1 3.19Å; P95-T98 PolarHBondContact O-N 2.89Å; P95-T98 VanDerWaalsContact O-N 3.08Å
99	D	87	Confident	84.6	Confident	59 Å²	59	40.9 Å²	40.9	32%	0.316	20%	0.2	S	C	.	.			trans	-98.8	124.3	179.6	173.8	-33.7	0	0	0	109.8	P95 E101 I102 G103	P95-D99 WeakPolarHBondContact O-CB 3.27Å; P95-D99 PolarHBondContact O-N 3.49Å; D99-E101 WeakPolarHBondContact OD1-CA 3.24Å; D99-E101 WeakPolarHBondContact OD1-CB 3.41Å; D99-E101 PolarHBondContact OD1-N 2.82Å; D99-I102 HydrophobicContact CB-CG2 3.5Å; D99-I102 VanDerWaalsContact CB-CG2 3.5Å; D99-I102 WeakPolarHBondContact O-CG2 3.41Å; D99-I102 PolarHBondContact OD1-N 2.91Å; D99-G103 PolarHBondContact O-N 2.83Å; D99-G103 VanDerWaalsContact O-N 3.08Å
100	N	89.2	Confident	85.7	Confident	94 Å²	94	39.4 Å²	39.4	50%	0.503	19%	0.192	S	C	.	.	H	α-helix	trans	-72.9	-30.7	-176	-75.1	-26.3	0	0	0	113.1	G103 N104 R133	N100-G103 PolarHBondContact O-N 2.76Å; N100-N104 PolarHBondContact O-N 2.92Å; N100-R133 PolarHBondContact OD1-NH2 2.83Å
101	E	87.1	Confident	86.6	Confident	43 Å²	43	34.4 Å²	34.4	20%	0.201	17%	0.169	C	C	.	.	H	α-helix	trans	-72	-44.8	179.7	-165	-171.1	162.8	0	0	110.4	D99 G103 N104 W105 L394 R557	D99-E101 WeakPolarHBondContact OD1-CA 3.24Å; D99-E101 WeakPolarHBondContact OD1-CB 3.41Å; D99-E101 PolarHBondContact OD1-N 2.82Å; E101-G103 VanDerWaalsContact C-N 3.28Å; E101-G103 PolarHBondContact O-N 3.39Å; E101-N104 PolarHBondContact O-N 2.9Å; E101-W105 PolarHBondContact O-N 3.35Å; E101-L394 HydrophobicContact CB-CD1 3.75Å; E101-L394 HydrophobicContact CG-CD1 3.52Å; E101-R557 IonicContact OE1-CZ 3.8Å; E101-R557 IonicContact OE1-NE 2.85Å; E101-R557 PolarHBondContact OE1-NE 3.22Å; E101-R557 IonicContact OE1-NH2 3.21Å; E101-R557 PolarHBondContact OE1-NH2 2.86Å; E101-R557 VanDerWaalsContact OE1-NH2 3.17Å; E101-R557 IonicContact OE2-CZ 2.75Å; E101-R557 IonicContact OE2-NE 2.72Å; E101-R557 IonicContact OE2-NH2 3.22Å; E101-R557 PolarHBondContact OE2-NH2 2.78Å
102	I	87.1	Confident	87.3	Confident	0 Å²	0	31.5 Å²	31.5	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-64.7	-35.4	173.3	-174.3	66.2	0	0	0	111.3	P95 D99 N104 W105 I106 G392 L394 T559	P95-I102 WeakPolarHBondContact O-CG2 3.43Å; D99-I102 HydrophobicContact CB-CG2 3.5Å; D99-I102 VanDerWaalsContact CB-CG2 3.5Å; D99-I102 WeakPolarHBondContact O-CG2 3.41Å; D99-I102 PolarHBondContact OD1-N 2.91Å; I102-N104 VanDerWaalsContact C-N 3.31Å; I102-N104 PolarHBondContact O-N 3.48Å; I102-W105 HydrophobicContact CD1-CB 4.25Å; I102-W105 WeakPolarHBondContact O-CB 3.3Å; I102-W105 PolarHBondContact O-N 3.49Å; I102-W105 VanDerWaalsContact O-N 3.16Å; I102-I106 HydrophobicContact CG1-CD1 3.93Å; I102-I106 HydrophobicContact CG1-CG1 4.36Å; I102-I106 WeakPolarHBondContact O-CD1 3.49Å; I102-I106 VanDerWaalsContact O-CG1 3.3Å; I102-I106 WeakPolarHBondContact O-CG1 2.91Å; I102-I106 PolarHBondContact O-N 3.15Å; I102-G392 WeakPolarHBondContact CD1-O 3.31Å; I102-G392 WeakPolarHBondContact CG1-O 3.49Å; I102-L394 HydrophobicContact CB-CD1 4.08Å; I102-L394 HydrophobicContact CB-CG 4.21Å; I102-L394 HydrophobicContact CD1-CD2 4.16Å; I102-L394 HydrophobicContact CD1-CG 4.02Å; I102-T559 HydrophobicContact CD1-CG2 3.84Å
103	G	88.9	Confident	87.9	Confident	0 Å²	0	31 Å²	31	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-56.8	-45.2	172.4	0	0	0	0	0	112.2	D99 N100 E101 I106 I107 F134	D99-G103 PolarHBondContact O-N 2.83Å; D99-G103 VanDerWaalsContact O-N 3.08Å; N100-G103 PolarHBondContact O-N 2.76Å; E101-G103 VanDerWaalsContact C-N 3.28Å; E101-G103 PolarHBondContact O-N 3.39Å; G103-I106 PolarHBondContact O-N 3.49Å; G103-I107 WeakPolarHBondContact O-CG1 3.28Å; G103-I107 PolarHBondContact O-N 3.22Å; G103-I107 VanDerWaalsContact O-N 3.16Å; G103-F134 WeakPolarHBondContact O-CE1 3.4Å
104	N	86.7	Confident	88.5	Confident	40 Å²	40	25.2 Å²	25.2	21%	0.214	13%	0.129	C	C	.	.	H	α-helix	trans	-66.2	-37.1	175.6	-73.3	-19.6	0	0	0	112.6	N100 E101 I102 I107 K108 H291	N100-N104 PolarHBondContact O-N 2.92Å; E101-N104 PolarHBondContact O-N 2.9Å; I102-N104 VanDerWaalsContact C-N 3.31Å; I102-N104 PolarHBondContact O-N 3.48Å; N104-I107 PolarHBondContact O-N 2.93Å; N104-K108 WeakPolarHBondContact O-CB 3.31Å; N104-K108 WeakPolarHBondContact O-CG 3.46Å; N104-K108 PolarHBondContact O-N 3.3Å; N104-H291 PolarHBondContact ND2-CD2 3.32Å; N104-H291 PolarHBondContact ND2-CE1 3.04Å; N104-H291 PolarHBondContact ND2-ND1 3.4Å; N104-H291 VanDerWaalsContact ND2-ND1 3.18Å; N104-H291 PolarHBondContact ND2-NE2 3.23Å
105	W	87.2	Confident	89	Confident	1 Å²	1	24.3 Å²	24.3	0%	0.004	13%	0.125	C	C	.	.	H	α-helix	trans	-62.3	-41.8	173	-84.4	51.5	0	0	0	112.2	E101 I102 I107 K108 S109 P259 S292 P294 L394 R557 T559	E101-W105 PolarHBondContact O-N 3.35Å; I102-W105 HydrophobicContact CD1-CB 4.25Å; I102-W105 WeakPolarHBondContact O-CB 3.3Å; I102-W105 PolarHBondContact O-N 3.49Å; I102-W105 VanDerWaalsContact O-N 3.16Å; W105-I107 VanDerWaalsContact C-N 3.35Å; W105-I107 PolarHBondContact O-N 3.25Å; W105-K108 CarbonylContact O-C 3.57Å; W105-K108 PolarHBondContact O-N 3.07Å; W105-S109 VanDerWaalsContact O-CB 3.29Å; W105-S109 WeakPolarHBondContact O-CB 3.4Å; W105-S109 PolarHBondContact O-N 3.39Å; W105-S109 VanDerWaalsContact O-N 3.11Å; W105-S109 PolarHBondContact O-OG 3.02Å; W105-P259 HydrophobicContact CE3-CG 3.54Å; W105-P259 HydrophobicContact CZ3-CG 3.75Å; W105-S292 WeakPolarHBondContact CZ2-OG 3.17Å; W105-S292 PolarHBondContact NE1-O 3.18Å; W105-S292 PolarHBondContact NE1-OG 3.05Å; W105-P294 HydrophobicContact CB-CG 4.11Å; W105-P294 HydrophobicContact CD2-CB 4.16Å; W105-P294 HydrophobicContact CD2-CG 3.48Å; W105-P294 VanDerWaalsContact CD2-CG 3.48Å; W105-P294 HydrophobicContact CE3-CB 4.04Å; W105-P294 HydrophobicContact CE3-CG 3.8Å; W105-P294 HydrophobicContact CG-CG 3.68Å; W105-P294 HydrophobicContact CH2-CB 4.07Å; W105-P294 HydrophobicContact CH2-CG 4.37Å; W105-P294 HydrophobicContact CZ2-CB 4.21Å; W105-P294 HydrophobicContact CZ2-CG 4.12Å; W105-P294 HydrophobicContact CZ3-CB 4.07Å; W105-P294 HydrophobicContact CZ3-CG 4.29Å; W105-L394 HydrophobicContact CD2-CD1 4.38Å; W105-L394 HydrophobicContact CD2-CD2 3.42Å; W105-L394 VanDerWaalsContact CD2-CD2 3.42Å; W105-L394 HydrophobicContact CE3-CD2 3.47Å; W105-L394 VanDerWaalsContact CE3-CD2 3.47Å; W105-L394 HydrophobicContact CG-CD1 4.17Å; W105-L394 HydrophobicContact CG-CD2 3.94Å; W105-L394 HydrophobicContact CH2-CD2 4.36Å; W105-L394 HydrophobicContact CZ2-CD2 4.31Å; W105-L394 HydrophobicContact CZ3-CD2 3.9Å; W105-R557 HydrophobicContact CH2-CB 3.9Å; W105-R557 WeakPolarHBondContact CH2-O 3.37Å; W105-R557 HydrophobicContact CZ2-CB 3.43Å; W105-R557 VanDerWaalsContact CZ2-CB 3.43Å; W105-T559 VanDerWaalsContact CE3-OG1 3.22Å
106	I	88	Confident	89.4	Confident	0 Å²	0	24 Å²	24	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-62.1	-42.3	178.5	-72.9	158.2	0	0	0	111.5	F96 I102 G103 F111 F113 F134 P183	F96-I106 HydrophobicContact CB-CD1 3.42Å; F96-I106 VanDerWaalsContact CB-CD1 3.42Å; I102-I106 HydrophobicContact CG1-CD1 3.93Å; I102-I106 HydrophobicContact CG1-CG1 4.36Å; I102-I106 WeakPolarHBondContact O-CD1 3.49Å; I102-I106 VanDerWaalsContact O-CG1 3.3Å; I102-I106 WeakPolarHBondContact O-CG1 2.91Å; I102-I106 PolarHBondContact O-N 3.15Å; G103-I106 PolarHBondContact O-N 3.49Å; I106-F111 HydrophobicContact CB-CD2 4.24Å; I106-F111 HydrophobicContact CB-CG 4.42Å; I106-F111 HydrophobicContact CG1-CD1 4.11Å; I106-F111 HydrophobicContact CG1-CD2 4.04Å; I106-F111 HydrophobicContact CG1-CE1 4.26Å; I106-F111 HydrophobicContact CG1-CE2 4.17Å; I106-F111 HydrophobicContact CG1-CG 3.99Å; I106-F111 HydrophobicContact CG1-CZ 4.28Å; I106-F111 HydrophobicContact CG2-CB 4.18Å; I106-F111 HydrophobicContact CG2-CG 4.37Å; I106-F113 HydrophobicContact CD1-CZ 3.93Å; I106-F113 HydrophobicContact CG1-CZ 4.41Å; I106-F113 HydrophobicContact CG2-CE2 4.21Å; I106-F113 HydrophobicContact CG2-CZ 4.37Å; I106-F134 HydrophobicContact CB-CE1 4.17Å; I106-F134 HydrophobicContact CB-CZ 4.14Å; I106-F134 HydrophobicContact CD1-CE2 4.36Å; I106-F134 HydrophobicContact CD1-CZ 3.82Å; I106-F134 HydrophobicContact CG2-CD1 4.37Å; I106-F134 HydrophobicContact CG2-CE1 4.02Å; I106-F134 HydrophobicContact CG2-CE2 4.31Å; I106-F134 HydrophobicContact CG2-CZ 3.97Å; I106-P183 HydrophobicContact CG2-CB 3.87Å; I106-P183 HydrophobicContact CG2-CG 3.87Å
107	I	87.1	Confident	89.8	Confident	45 Å²	45	23.9 Å²	23.9	23%	0.231	12%	0.122	C	C	.	.	H	α-helix	trans	-71.2	-35.9	179.2	-61.7	163	0	0	0	111.1	G103 N104 W105 S109 F134 Y266	G103-I107 WeakPolarHBondContact O-CG1 3.28Å; G103-I107 PolarHBondContact O-N 3.22Å; G103-I107 VanDerWaalsContact O-N 3.16Å; N104-I107 PolarHBondContact O-N 2.93Å; W105-I107 VanDerWaalsContact C-N 3.35Å; W105-I107 PolarHBondContact O-N 3.25Å; I107-S109 VanDerWaalsContact C-N 3.31Å; I107-S109 PolarHBondContact O-N 3.39Å; I107-F134 HydrophobicContact CD1-CD1 3.87Å; I107-F134 HydrophobicContact CD1-CE1 4.1Å; I107-F134 HydrophobicContact CG1-CD1 3.62Å; I107-F134 HydrophobicContact CG1-CE1 3.94Å; I107-Y266 HydrophobicContact CG2-CD1 3.58Å; I107-Y266 HydrophobicContact CG2-CE1 3.6Å; I107-Y266 HydrophobicContact CG2-CG 4.33Å
108	K	84.3	Confident	90.2	Very high	46 Å²	46	22.9 Å²	22.9	20%	0.2	12%	0.117	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.3	16.8	-178	-62.3	-174	-170.9	-157.3	0	113.2	N104 W105 P262 D270	N104-K108 WeakPolarHBondContact O-CB 3.31Å; N104-K108 WeakPolarHBondContact O-CG 3.46Å; N104-K108 PolarHBondContact O-N 3.3Å; W105-K108 CarbonylContact O-C 3.57Å; W105-K108 PolarHBondContact O-N 3.07Å; K108-P262 WeakPolarHBondContact O-CD 3.16Å; K108-D270 WeakPolarHBondContact CE-OD2 3.15Å; K108-D270 IonicContact NZ-OD1 2.93Å; K108-D270 IonicContact NZ-OD2 3.33Å; K108-D270 PolarHBondContact NZ-OD2 3.2Å
109	S	85	Confident	90.6	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	10%	0.097	C	C	.	.	S	Bend	trans	-152.1	170.8	176.6	-65.2	0	0	0	0	112.7	W105 I107 F111 S182 P259 A260 P294	W105-S109 VanDerWaalsContact O-CB 3.29Å; W105-S109 WeakPolarHBondContact O-CB 3.4Å; W105-S109 PolarHBondContact O-N 3.39Å; W105-S109 VanDerWaalsContact O-N 3.11Å; W105-S109 PolarHBondContact O-OG 3.02Å; I107-S109 VanDerWaalsContact C-N 3.31Å; I107-S109 PolarHBondContact O-N 3.39Å; S109-F111 PolarHBondContact O-N 3.4Å; S109-S182 WeakPolarHBondContact O-CB 3.49Å; S109-S182 PolarHBondContact O-OG 2.66Å; S109-P259 WeakPolarHBondContact OG-CG 3.38Å; S109-A260 CarbonylContact C-O 3.48Å; S109-A260 WeakPolarHBondContact CA-O 3.47Å; S109-A260 WeakPolarHBondContact CB-O 3.47Å; S109-P294 WeakPolarHBondContact OG-CB 3.5Å; S109-P294 WeakPolarHBondContact OG-CG 3.42Å
110	R	88.1	Confident	91	Very high	57 Å²	57	17.8 Å²	17.8	22%	0.215	9%	0.092	C	C	.	.			trans	-83.8	98.8	177.1	-65	179.8	-171.8	-164.1	-4.3	111.4	F206 Y208 F209 A260 P261	R110-F206 WeakPolarHBondContact CD-O 3.48Å; R110-F206 PolarHBondContact NH1-O 2.89Å; R110-Y208 HydrophobicContact CB-CD1 3.8Å; R110-Y208 HydrophobicContact CB-CD2 4.11Å; R110-Y208 HydrophobicContact CB-CE1 3.97Å; R110-Y208 HydrophobicContact CB-CE2 4.27Å; R110-Y208 HydrophobicContact CB-CG 3.86Å; R110-Y208 HydrophobicContact CG-CE1 4.44Å; R110-Y208 HydrophobicContact CG-CE2 4.36Å; R110-Y208 CarbonylContact O-C 3.57Å; R110-Y208 VanDerWaalsContact O-CA 3.3Å; R110-Y208 WeakPolarHBondContact O-CA 3.31Å; R110-F209 PolarHBondContact O-N 2.82Å; R110-A260 PolarHBondContact N-O 3.31Å; R110-P261 WeakPolarHBondContact CG-O 3.35Å; R110-P261 PolarHBondContact NE-O 3.47Å
111	F	91.1	Very high	91.3	Very high	1 Å²	1	13.3 Å²	13.3	0%	0.004	7%	0.069	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	141	172.2	-82.1	-96.5	0	0	0	113.2	I106 S109 S182 P183 I184 Y208 F209 I211 P259	I106-F111 HydrophobicContact CB-CD2 4.24Å; I106-F111 HydrophobicContact CB-CG 4.42Å; I106-F111 HydrophobicContact CG1-CD1 4.11Å; I106-F111 HydrophobicContact CG1-CD2 4.04Å; I106-F111 HydrophobicContact CG1-CE1 4.26Å; I106-F111 HydrophobicContact CG1-CE2 4.17Å; I106-F111 HydrophobicContact CG1-CG 3.99Å; I106-F111 HydrophobicContact CG1-CZ 4.28Å; I106-F111 HydrophobicContact CG2-CB 4.18Å; I106-F111 HydrophobicContact CG2-CG 4.37Å; S109-F111 PolarHBondContact O-N 3.4Å; F111-S182 PolarHBondContact N-OG 2.82Å; F111-S182 PolarHBondContact O-OG 3.32Å; F111-P183 HydrophobicContact CB-CB 4.34Å; F111-P183 WeakPolarHBondContact O-CA 3.49Å; F111-I184 PolarHBondContact O-N 2.93Å; F111-Y208 WeakPolarHBondContact O-CD1 3.3Å; F111-F209 WeakPolarHBondContact CA-O 3.5Å; F111-F209 HydrophobicContact CD1-CB 3.79Å; F111-F209 HydrophobicContact CE1-CB 3.74Å; F111-F209 HydrophobicContact CE1-CG 4.47Å; F111-F209 HydrophobicContact CG-CB 4.24Å; F111-F209 HydrophobicContact CZ-CB 4.15Å; F111-F209 HydrophobicContact CZ-CG 4.46Å; F111-I211 HydrophobicContact CD1-CD1 3.86Å; F111-I211 HydrophobicContact CD1-CG1 4.28Å; F111-I211 HydrophobicContact CE1-CD1 3.84Å; F111-I211 HydrophobicContact CE1-CG1 4.37Å; F111-P259 HydrophobicContact CE2-CB 3.97Å; F111-P259 HydrophobicContact CE2-CG 4.05Å; F111-P259 HydrophobicContact CZ-CB 4.29Å; F111-P259 HydrophobicContact CZ-CG 4.32Å
112	M	93.8	Very high	91.6	Very high	0 Å²	0	12.4 Å²	12.4	0%	0	7%	0.071	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	119	171.4	-175.7	-178.1	-68.8	0	0	109.3	I114 V173 V177 I184 I186 A203 Y208 F209 V210 I211	M112-I114 HydrophobicContact CG-CG1 4.09Å; M112-I114 HydrophobicContact SD-CD1 4.14Å; M112-I114 HydrophobicContact SD-CG1 4.07Å; M112-V173 HydrophobicContact CE-CG1 4.45Å; M112-V177 HydrophobicContact CE-CG1 3.79Å; M112-I184 CarbonylContact C-O 3.52Å; M112-I184 VanDerWaalsContact CA-O 3.29Å; M112-I184 WeakPolarHBondContact CA-O 3.34Å; M112-I184 HydrophobicContact CE-CG2 4.4Å; M112-I184 HydrophobicContact CG-CB 4.41Å; M112-I184 HydrophobicContact CG-CG2 4.32Å; M112-I186 HydrophobicContact CG-CG1 4.31Å; M112-I186 HydrophobicContact SD-CG1 4.28Å; M112-A203 HydrophobicContact CE-CB 4.1Å; M112-A203 HydrophobicContact SD-CB 3.98Å; M112-Y208 HydrophobicContact CB-CD1 4.07Å; M112-Y208 HydrophobicContact CB-CG 4.45Å; M112-F209 PolarHBondContact N-O 3.48Å; M112-V210 WeakPolarHBondContact O-CA 3.03Å; M112-I211 PolarHBondContact O-N 3.42Å
113	F	94.7	Very high	92	Very high	0 Å²	0	13.1 Å²	13.1	0%	0	7%	0.074	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	119.5	170	-62.7	-78.9	0	0	0	108.8	F96 I106 I130 P183 I184 V185 I186 I211 V213	F96-F113 HydrophobicContact CB-CE1 4.04Å; F96-F113 HydrophobicContact CB-CZ 4.03Å; F96-F113 AromaticContact CD1-CE1 3.75Å; F96-F113 HydrophobicContact CD1-CE1 3.75Å; F96-F113 AromaticContact CD2-CE1 3.83Å; F96-F113 HydrophobicContact CD2-CE1 3.83Å; F96-F113 HydrophobicContact CD2-CZ 4.07Å; F96-F113 HydrophobicContact CE1-CD1 4.47Å; F96-F113 HydrophobicContact CE1-CE1 4.12Å; F96-F113 HydrophobicContact CE2-CE1 4.21Å; F96-F113 AromaticContact CG-CE1 3.61Å; F96-F113 HydrophobicContact CG-CE1 3.61Å; F96-F113 AromaticContact CG-CZ 4Å; F96-F113 HydrophobicContact CG-CZ 4Å; F96-F113 HydrophobicContact CZ-CE1 4.37Å; I106-F113 HydrophobicContact CD1-CZ 3.93Å; I106-F113 HydrophobicContact CG1-CZ 4.41Å; I106-F113 HydrophobicContact CG2-CE2 4.21Å; I106-F113 HydrophobicContact CG2-CZ 4.37Å; F113-I130 HydrophobicContact CB-CD1 4.33Å; F113-I130 HydrophobicContact CD1-CD1 4.5Å; F113-I130 HydrophobicContact CD2-CD1 4.36Å; F113-I130 HydrophobicContact CD2-CG2 4.31Å; F113-I130 HydrophobicContact CE2-CG2 4.36Å; F113-I130 HydrophobicContact CG-CD1 4.15Å; F113-P183 HydrophobicContact CD2-CB 3.81Å; F113-P183 HydrophobicContact CE2-CB 3.52Å; F113-P183 HydrophobicContact CE2-CG 4.15Å; F113-I184 PolarHBondContact N-O 3.37Å; F113-V185 HydrophobicContact CB-CG1 4.29Å; F113-V185 HydrophobicContact CB-CG2 4.36Å; F113-V185 HydrophobicContact CD2-CG2 4.14Å; F113-V185 CarbonylContact O-C 3.46Å; F113-V185 WeakPolarHBondContact O-CA 3.46Å; F113-I186 PolarHBondContact O-N 2.92Å; F113-I211 WeakPolarHBondContact CA-O 3.5Å; F113-I211 HydrophobicContact CD1-CB 3.88Å; F113-I211 HydrophobicContact CD1-CD1 4.41Å; F113-I211 HydrophobicContact CD1-CG2 4.28Å; F113-I211 HydrophobicContact CE1-CB 4.05Å; F113-I211 HydrophobicContact CE1-CD1 3.7Å; F113-I211 HydrophobicContact CE1-CG1 4.36Å; F113-I211 HydrophobicContact CE1-CG2 4.38Å; F113-I211 HydrophobicContact CZ-CD1 4.37Å; F113-V213 HydrophobicContact CD1-CG2 3.93Å
114	I	96	Very high	92.2	Very high	0 Å²	0	15.4 Å²	15.4	0%	0	9%	0.09	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	105.3	172.3	-60.7	177	0	0	0	106.8	M112 R116 I186 N190 A196 T200 V210 I211 M212 V213	M112-I114 HydrophobicContact CG-CG1 4.09Å; M112-I114 HydrophobicContact SD-CD1 4.14Å; M112-I114 HydrophobicContact SD-CG1 4.07Å; I114-R116 HydrophobicContact CG2-CG 4.5Å; I114-I186 HydrophobicContact CG1-CB 4.5Å; I114-I186 HydrophobicContact CG1-CG1 4.25Å; I114-N190 HydrophobicContact CG2-CB 4.22Å; I114-N190 WeakPolarHBondContact CG2-ND2 3.28Å; I114-A196 HydrophobicContact CG2-CB 4.41Å; I114-T200 HydrophobicContact CD1-CG2 3.77Å; I114-V210 HydrophobicContact CD1-CG1 3.67Å; I114-V210 HydrophobicContact CG1-CG1 4.09Å; I114-I211 PolarHBondContact N-O 3.48Å; I114-M212 HydrophobicContact CB-CE 4.42Å; I114-M212 HydrophobicContact CB-SD 3.59Å; I114-M212 VanDerWaalsContact CB-SD 3.59Å; I114-M212 HydrophobicContact CD1-CE 3.83Å; I114-M212 HydrophobicContact CD1-SD 4.15Å; I114-M212 HydrophobicContact CG1-SD 4.42Å; I114-M212 HydrophobicContact CG2-CE 4.4Å; I114-M212 HydrophobicContact CG2-SD 3.66Å; I114-M212 WeakPolarHBondContact O-CA 3.41Å; I114-V213 PolarHBondContact O-N 3.23Å
115	L	96.4	Very high	92.5	Very high	0 Å²	0	15.2 Å²	15.2	0%	0	9%	0.087	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.1	144.1	178.1	-53.4	-169.7	0	0	0	109.4	K123 L126 I130 V185 I186 D187 N188 N190 V213	L115-K123 HydrophobicContact CB-CB 4.28Å; L115-K123 HydrophobicContact CB-CD 4.28Å; L115-K123 HydrophobicContact CB-CG 4.33Å; L115-K123 HydrophobicContact CD1-CB 4.14Å; L115-K123 WeakPolarHBondContact CD1-O 3.38Å; L115-L126 HydrophobicContact CD2-CD2 3.98Å; L115-I130 HydrophobicContact CD2-CD1 4.37Å; L115-V185 HydrophobicContact CD1-CG1 4Å; L115-V185 HydrophobicContact CD2-CG1 4.38Å; L115-V185 HydrophobicContact CG-CG1 4.01Å; L115-I186 WeakPolarHBondContact CB-O 3.41Å; L115-I186 PolarHBondContact N-O 3.17Å; L115-D187 HydrophobicContact CD1-CB 4.13Å; L115-N188 VanDerWaalsContact O-O 3.07Å; L115-N190 WeakPolarHBondContact O-CB 3.42Å; L115-N190 PolarHBondContact O-ND2 3.26Å; L115-V213 CarbonylContact C-O 3.5Å; L115-V213 WeakPolarHBondContact CA-O 3.5Å; L115-V213 HydrophobicContact CD2-CB 3.81Å; L115-V213 HydrophobicContact CD2-CG2 4.22Å
116	R	95.9	Very high	92.8	Very high	6 Å²	6	15.4 Å²	15.4	2%	0.023	9%	0.088	C	C	.	.			trans	-137.8	134.5	-176.1	-58.1	-169.6	66.1	-135.8	-8.4	110.8	I114 T189 N190 T191 M212 V213 I214 P215 F246 E247	I114-R116 HydrophobicContact CG2-CG 4.5Å; R116-T189 CarbonylContact C-O 3.56Å; R116-T189 WeakPolarHBondContact CA-O 3.23Å; R116-N190 HydrophobicContact CG-CB 3.91Å; R116-N190 PolarHBondContact NE-O 2.91Å; R116-N190 PolarHBondContact NH2-O 3.3Å; R116-T191 PolarHBondContact NH2-O 3.26Å; R116-M212 HydrophobicContact CG-SD 4.28Å; R116-V213 PolarHBondContact N-O 3.27Å; R116-I214 HydrophobicContact CB-CG1 3.92Å; R116-P215 WeakPolarHBondContact O-CD 3.41Å; R116-F246 HydrophobicContact CB-CE2 4.46Å; R116-F246 HydrophobicContact CB-CZ 4.3Å; R116-E247 PolarHBondContact NH1-O 2.97Å; R116-E247 VanDerWaalsContact NH1-O 3.16Å; R116-E247 PolarHBondContact NH2-O 3.15Å
117	G	96.1	Very high	93.1	Very high	1 Å²	1	15.5 Å²	15.5	1%	0.01	9%	0.089	C	C	.	.			trans	150.2	155.6	175.6	0	0	0	0	0	113.5	K123 T189	G117-K123 WeakPolarHBondContact O-CD 3.37Å; G117-K123 WeakPolarHBondContact O-CE 3.33Å; G117-K123 PolarHBondContact O-NZ 3.06Å; G117-T189 PolarHBondContact N-O 3.47Å; G117-T189 WeakPolarHBondContact O-CA 3.4Å; G117-T189 WeakPolarHBondContact O-CB 3.22Å
118	P	96.7	Very high	93.4	Very high	0 Å²	0	14.4 Å²	14.4	0%	0	8%	0.083	C	C	.	.			trans	-61.2	161.9	175.5	27.3	-35	0	0	0	112.1	S121 K123 R220 L226 K242 V243	P118-S121 VanDerWaalsContact O-CB 3.32Å; P118-S121 WeakPolarHBondContact O-CB 3.41Å; P118-S121 PolarHBondContact O-N 3.3Å; P118-S121 PolarHBondContact O-OG 3.39Å; P118-K123 PolarHBondContact O-NZ 3.25Å; P118-R220 VanDerWaalsContact CG-O 3.29Å; P118-R220 WeakPolarHBondContact CG-O 3.46Å; P118-L226 HydrophobicContact CB-CD1 4.01Å; P118-L226 HydrophobicContact CG-CD1 3.4Å; P118-L226 VanDerWaalsContact CG-CD1 3.4Å; P118-L226 HydrophobicContact CG-CD2 4.1Å; P118-L226 HydrophobicContact CG-CG 4.39Å; P118-K242 HydrophobicContact CB-CB 4.27Å; P118-V243 HydrophobicContact CB-CG2 4.25Å; P118-V243 HydrophobicContact CG-CG2 3.99Å
119	P	96.5	Very high	93.9	Very high	17 Å²	17	12.5 Å²	12.5	11%	0.11	8%	0.076	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51	140.4	169.6	-26.5	35.8	0	0	0	111.7	S121 T189 L226 N230 V234 I239 K242	P119-S121 VanDerWaalsContact C-N 3.34Å; P119-S121 PolarHBondContact O-N 3.48Å; P119-T189 HydrophobicContact CG-CG2 4.33Å; P119-L226 WeakPolarHBondContact O-CB 3.29Å; P119-L226 WeakPolarHBondContact O-CD2 3.48Å; P119-N230 HydrophobicContact CB-CB 3.91Å; P119-V234 HydrophobicContact CB-CB 4.39Å; P119-V234 HydrophobicContact CB-CG2 4.17Å; P119-V234 HydrophobicContact CG-CB 4.34Å; P119-V234 HydrophobicContact CG-CG1 4.31Å; P119-V234 HydrophobicContact CG-CG2 4.04Å; P119-I239 HydrophobicContact CB-CD1 4.46Å; P119-I239 HydrophobicContact CB-CG1 4.48Å; P119-K242 HydrophobicContact CG-CD 4.35Å
120	G	94.8	Very high	94.3	Very high	22 Å²	22	12.5 Å²	12.5	23%	0.227	8%	0.076	C	C	.	.	T	Hydrogen-bonded Turn	trans	83	-3.9	-177.7	0	0	0	0	0	116.1	G122 W219	G120-G122 VanDerWaalsContact C-N 3.32Å; G120-G122 PolarHBondContact O-N 3.14Å; G120-W219 PolarHBondContact O-NE1 3.35Å
121	S	95.6	Very high	94.6	Very high	1 Å²	1	15.3 Å²	15.3	1%	0.007	9%	0.086	C	C	.	.	S	Bend	trans	-75.1	-15.2	-176.7	68.8	0	0	0	0	115.1	P118 P119 P215 T217 L226	P118-S121 VanDerWaalsContact O-CB 3.32Å; P118-S121 WeakPolarHBondContact O-CB 3.41Å; P118-S121 PolarHBondContact O-N 3.3Å; P118-S121 PolarHBondContact O-OG 3.39Å; P119-S121 VanDerWaalsContact C-N 3.34Å; P119-S121 PolarHBondContact O-N 3.48Å; S121-P215 VanDerWaalsContact O-CB 3.24Å; S121-P215 WeakPolarHBondContact O-CB 3.43Å; S121-T217 PolarHBondContact O-OG1 3.41Å; S121-L226 VanDerWaalsContact CA-CD2 3.48Å; S121-L226 VanDerWaalsContact N-CD2 3.31Å
122	G	93.7	Very high	94.6	Very high	23 Å²	23	17.4 Å²	17.4	24%	0.237	10%	0.097	C	C	.	.	S	Bend	trans	104.8	14.9	-178.1	0	0	0	0	0	115.5	G120 F125 L126	G120-G122 VanDerWaalsContact C-N 3.32Å; G120-G122 PolarHBondContact O-N 3.14Å; G122-F125 PolarHBondContact O-N 2.87Å; G122-L126 PolarHBondContact O-N 3.15Å
123	K	95.4	Very high	94.6	Very high	15 Å²	15	19.7 Å²	19.7	7%	0.065	11%	0.105	C	C	.	.	H	α-helix	trans	-58.8	-52.6	178.2	-60.6	-177	-58.1	-63.8	0	112.8	L115 G117 P118 F125 L126 S127 D187 N188 P215	L115-K123 HydrophobicContact CB-CB 4.28Å; L115-K123 HydrophobicContact CB-CD 4.28Å; L115-K123 HydrophobicContact CB-CG 4.33Å; L115-K123 HydrophobicContact CD1-CB 4.14Å; L115-K123 WeakPolarHBondContact CD1-O 3.38Å; G117-K123 WeakPolarHBondContact O-CD 3.37Å; G117-K123 WeakPolarHBondContact O-CE 3.33Å; G117-K123 PolarHBondContact O-NZ 3.06Å; P118-K123 PolarHBondContact O-NZ 3.25Å; K123-F125 VanDerWaalsContact C-N 3.26Å; K123-F125 PolarHBondContact O-N 3.28Å; K123-L126 CarbonylContact O-C 3.55Å; K123-L126 WeakPolarHBondContact O-CA 3.34Å; K123-L126 WeakPolarHBondContact O-CB 3.41Å; K123-L126 PolarHBondContact O-N 3.43Å; K123-S127 PolarHBondContact O-N 3.42Å; K123-D187 WeakPolarHBondContact CB-OD1 3.4Å; K123-N188 WeakPolarHBondContact CD-O 3.45Å; K123-N188 WeakPolarHBondContact CE-O 3.16Å; K123-P215 HydrophobicContact CB-CG 4.5Å; K123-P215 HydrophobicContact CG-CG 3.87Å
124	S	93.1	Very high	94.5	Very high	49 Å²	49	19.9 Å²	19.9	34%	0.343	11%	0.106	S	C	.	.	H	α-helix	trans	-67.5	-28.4	-178.8	-49.6	0	0	0	0	113.2	S127 E128 D187	S124-S127 WeakPolarHBondContact CA-OG 3.37Å; S124-S127 PolarHBondContact O-N 2.94Å; S124-S127 PolarHBondContact O-OG 2.95Å; S124-E128 WeakPolarHBondContact O-CB 3.42Å; S124-E128 PolarHBondContact O-N 2.87Å; S124-D187 WeakPolarHBondContact CA-OD2 3.08Å; S124-D187 VanDerWaalsContact CB-OD2 3.28Å; S124-D187 WeakPolarHBondContact CB-OD2 3.36Å; S124-D187 PolarHBondContact N-OD1 2.76Å; S124-D187 PolarHBondContact OG-OD1 2.9Å; S124-D187 PolarHBondContact OG-OD2 2.88Å
125	F	93.3	Very high	94.3	Very high	35 Å²	35	24.4 Å²	24.4	15%	0.154	14%	0.136	C	C	.	.	H	α-helix	trans	-64.3	-42.8	168.5	178.8	-98.4	0	0	0	111.7	L8 I88 V92 G122 K123 E128 C129	L8-F125 HydrophobicContact CD2-CD2 3.72Å; L8-F125 HydrophobicContact CD2-CE2 3.61Å; L8-F125 HydrophobicContact CD2-CZ 4.48Å; I88-F125 HydrophobicContact CG2-CE1 4.08Å; I88-F125 HydrophobicContact CG2-CZ 3.54Å; V92-F125 HydrophobicContact CG1-CD1 4.42Å; V92-F125 HydrophobicContact CG1-CE1 3.74Å; G122-F125 PolarHBondContact O-N 2.87Å; K123-F125 VanDerWaalsContact C-N 3.26Å; K123-F125 PolarHBondContact O-N 3.28Å; F125-E128 PolarHBondContact O-N 3.29Å; F125-C129 PolarHBondContact O-N 3.3Å; F125-C129 PolarHBondContact O-SG 3.17Å
126	L	93.7	Very high	94.1	Very high	5 Å²	5	29.8 Å²	29.8	3%	0.026	16%	0.162	C	C	.	.	H	α-helix	trans	-68.7	-38.4	176.3	-177.4	66.2	0	0	0	112.3	F94 L97 L115 G122 K123 E128 C129 I130 V213	F94-L126 HydrophobicContact CD2-CD1 3.83Å; F94-L126 HydrophobicContact CE2-CD1 3.71Å; F94-L126 HydrophobicContact CE2-CD2 4.04Å; F94-L126 HydrophobicContact CZ-CD2 4.26Å; L97-L126 HydrophobicContact CD1-CD1 3.69Å; L115-L126 HydrophobicContact CD2-CD2 3.98Å; G122-L126 PolarHBondContact O-N 3.15Å; K123-L126 CarbonylContact O-C 3.55Å; K123-L126 WeakPolarHBondContact O-CA 3.34Å; K123-L126 WeakPolarHBondContact O-CB 3.41Å; K123-L126 PolarHBondContact O-N 3.43Å; L126-E128 VanDerWaalsContact C-N 3.26Å; L126-E128 PolarHBondContact O-N 2.85Å; L126-C129 WeakPolarHBondContact O-CB 3.42Å; L126-C129 PolarHBondContact O-N 3.41Å; L126-I130 HydrophobicContact CG-CD1 4.38Å; L126-I130 WeakPolarHBondContact O-CG1 3.42Å; L126-I130 PolarHBondContact O-N 3.16Å; L126-V213 HydrophobicContact CD2-CB 4.17Å; L126-V213 HydrophobicContact CD2-CG1 3.4Å
127	S	94.9	Very high	94.1	Very high	3 Å²	3	30.1 Å²	30.1	2%	0.021	17%	0.166	C	C	.	.	H	α-helix	trans	-60.5	-39.9	175.1	80	0	0	0	0	110.7	K123 S124 I130 R131 I139 D187	K123-S127 PolarHBondContact O-N 3.42Å; S124-S127 WeakPolarHBondContact CA-OG 3.37Å; S124-S127 PolarHBondContact O-N 2.94Å; S124-S127 PolarHBondContact O-OG 2.95Å; S127-I130 WeakPolarHBondContact O-CB 3.25Å; S127-I130 PolarHBondContact O-N 2.76Å; S127-R131 PolarHBondContact O-N 3.18Å; S127-I139 VanDerWaalsContact O-CD1 3.29Å; S127-I139 WeakPolarHBondContact O-CD1 3.46Å; S127-D187 PolarHBondContact OG-OD2 3.03Å
128	E	93.5	Very high	94.1	Very high	22 Å²	22	33.9 Å²	33.9	10%	0.103	18%	0.182	C	C	.	.	H	α-helix	trans	-65	-41.8	173.6	-175.6	55.8	-156.8	0	0	113	S124 F125 L126 I130 R131 I132	S124-E128 WeakPolarHBondContact O-CB 3.42Å; S124-E128 PolarHBondContact O-N 2.87Å; F125-E128 PolarHBondContact O-N 3.29Å; L126-E128 VanDerWaalsContact C-N 3.26Å; L126-E128 PolarHBondContact O-N 2.85Å; E128-I130 VanDerWaalsContact C-N 3.29Å; E128-I130 PolarHBondContact O-N 3.41Å; E128-R131 WeakPolarHBondContact O-CB 3.42Å; E128-R131 PolarHBondContact O-N 3.01Å; E128-R131 VanDerWaalsContact O-N 3.17Å; E128-R131 IonicContact OE1-CZ 3.53Å; E128-R131 IonicContact OE1-NE 3.07Å; E128-R131 PolarHBondContact OE1-NE 3.38Å; E128-R131 IonicContact OE1-NH2 2.71Å; E128-R131 PolarHBondContact OE1-NH2 2.68Å; E128-R131 IonicContact OE2-CZ 3.17Å; E128-R131 VanDerWaalsContact OE2-CZ 3.25Å; E128-R131 IonicContact OE2-NE 3.53Å; E128-R131 PolarHBondContact OE2-NE 2.9Å; E128-R131 IonicContact OE2-NH2 2.69Å; E128-R131 PolarHBondContact OE2-NH2 3.41Å; E128-I132 HydrophobicContact CG-CD1 4.17Å; E128-I132 PolarHBondContact O-N 2.98Å; E128-I132 VanDerWaalsContact OE1-CD1 3.27Å; E128-I132 WeakPolarHBondContact OE1-CD1 3.33Å
129	C	93.9	Very high	94.1	Very high	6 Å²	6	34.8 Å²	34.8	4%	0.041	19%	0.187	C	C	.	.	H	α-helix	trans	-59.8	-40.3	173	-65.6	0	0	0	0	111.8	L97 F125 L126 I132 R133	L97-C129 HydrophobicContact CD1-CB 4.04Å; L97-C129 HydrophobicContact CD2-CB 4.37Å; F125-C129 PolarHBondContact O-N 3.3Å; F125-C129 PolarHBondContact O-SG 3.17Å; L126-C129 WeakPolarHBondContact O-CB 3.42Å; L126-C129 PolarHBondContact O-N 3.41Å; C129-I132 PolarHBondContact O-N 3.5Å; C129-R133 WeakPolarHBondContact O-CB 3.42Å; C129-R133 PolarHBondContact O-N 3.22Å
130	I	93.4	Very high	94.2	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-65	-43.2	175.1	-64.8	167.2	0	0	0	110.2	F96 L97 F113 L115 L126 S127 E128 I132 R133 F134 A137 V185	F96-I130 HydrophobicContact CD2-CG1 4.42Å; F96-I130 HydrophobicContact CE2-CD1 4.01Å; F96-I130 HydrophobicContact CE2-CG1 3.9Å; L97-I130 HydrophobicContact CD2-CG1 3.99Å; F113-I130 HydrophobicContact CB-CD1 4.33Å; F113-I130 HydrophobicContact CD1-CD1 4.5Å; F113-I130 HydrophobicContact CD2-CD1 4.36Å; F113-I130 HydrophobicContact CD2-CG2 4.31Å; F113-I130 HydrophobicContact CE2-CG2 4.36Å; F113-I130 HydrophobicContact CG-CD1 4.15Å; L115-I130 HydrophobicContact CD2-CD1 4.37Å; L126-I130 HydrophobicContact CG-CD1 4.38Å; L126-I130 WeakPolarHBondContact O-CG1 3.42Å; L126-I130 PolarHBondContact O-N 3.16Å; S127-I130 WeakPolarHBondContact O-CB 3.25Å; S127-I130 PolarHBondContact O-N 2.76Å; E128-I130 VanDerWaalsContact C-N 3.29Å; E128-I130 PolarHBondContact O-N 3.41Å; I130-I132 VanDerWaalsContact C-N 3.32Å; I130-I132 PolarHBondContact O-N 2.84Å; I130-R133 PolarHBondContact O-N 3.44Å; I130-F134 HydrophobicContact CG2-CD2 3.85Å; I130-F134 WeakPolarHBondContact O-CB 3.43Å; I130-F134 WeakPolarHBondContact O-CD2 3.4Å; I130-F134 PolarHBondContact O-N 2.98Å; I130-A137 HydrophobicContact CG2-CB 4.49Å; I130-V185 HydrophobicContact CB-CG2 4.35Å; I130-V185 HydrophobicContact CD1-CG1 4.27Å; I130-V185 HydrophobicContact CD1-CG2 4.35Å; I130-V185 HydrophobicContact CG2-CG2 3.59Å
131	R	94	Very high	94.3	Very high	116 Å²	116	34.6 Å²	34.6	44%	0.438	18%	0.179	S	C	.	.	H	α-helix	trans	-57.9	-43.4	176.4	-167.9	169.1	67.7	109.3	-4.4	112.2	S127 E128 F134 P135 I139	S127-R131 PolarHBondContact O-N 3.18Å; E128-R131 WeakPolarHBondContact O-CB 3.42Å; E128-R131 PolarHBondContact O-N 3.01Å; E128-R131 VanDerWaalsContact O-N 3.17Å; E128-R131 IonicContact OE1-CZ 3.53Å; E128-R131 IonicContact OE1-NE 3.07Å; E128-R131 PolarHBondContact OE1-NE 3.38Å; E128-R131 IonicContact OE1-NH2 2.71Å; E128-R131 PolarHBondContact OE1-NH2 2.68Å; E128-R131 IonicContact OE2-CZ 3.17Å; E128-R131 VanDerWaalsContact OE2-CZ 3.25Å; E128-R131 IonicContact OE2-NE 3.53Å; E128-R131 PolarHBondContact OE2-NE 2.9Å; E128-R131 IonicContact OE2-NH2 2.69Å; E128-R131 PolarHBondContact OE2-NH2 3.41Å; R131-F134 CarbonylContact O-C 3.52Å; R131-F134 PolarHBondContact O-N 3.26Å; R131-F134 VanDerWaalsContact O-O 3.12Å; R131-P135 VanDerWaalsContact O-CA 3.28Å; R131-P135 WeakPolarHBondContact O-CA 3.27Å; R131-I139 HydrophobicContact CB-CD1 3.82Å; R131-I139 HydrophobicContact CG-CD1 4.33Å
132	I	92.1	Very high	94.3	Very high	44 Å²	44	34.8 Å²	34.8	23%	0.226	18%	0.18	C	C	.	.	H	α-helix	trans	-71.7	-38.5	-178.4	-70.9	169.1	0	0	0	110.9	V31 E128 C129 I130	V31-I132 HydrophobicContact CB-CD1 3.54Å; V31-I132 HydrophobicContact CG1-CB 3.82Å; V31-I132 HydrophobicContact CG1-CD1 3.23Å; V31-I132 HydrophobicContact CG1-CG1 4.07Å; V31-I132 HydrophobicContact CG1-CG2 3.76Å; V31-I132 HydrophobicContact CG2-CD1 4.09Å; E128-I132 HydrophobicContact CG-CD1 4.17Å; E128-I132 PolarHBondContact O-N 2.98Å; E128-I132 VanDerWaalsContact OE1-CD1 3.27Å; E128-I132 WeakPolarHBondContact OE1-CD1 3.33Å; C129-I132 PolarHBondContact O-N 3.5Å; I130-I132 VanDerWaalsContact C-N 3.32Å; I130-I132 PolarHBondContact O-N 2.84Å
133	R	92.3	Very high	94.3	Very high	48 Å²	48	35.9 Å²	35.9	18%	0.181	18%	0.181	C	C	.	.	H	α-helix	trans	-68.4	-36	174.4	-176.7	63.4	-176	95.4	-11.5	113	L97 N100 C129 I130	L97-R133 HydrophobicContact CD2-CB 4.1Å; L97-R133 HydrophobicContact CD2-CG 4.49Å; N100-R133 PolarHBondContact OD1-NH2 2.83Å; C129-R133 WeakPolarHBondContact O-CB 3.42Å; C129-R133 PolarHBondContact O-N 3.22Å; I130-R133 PolarHBondContact O-N 3.44Å
134	F	93.2	Very high	94.2	Very high	4 Å²	4	36.9 Å²	36.9	2%	0.018	19%	0.187	C	C	.	.			trans	-128.4	83.1	-176.5	-53	-70.6	0	0	0	109.9	F96 G103 I106 I107 I130 R131 M136 A137 P183	F96-F134 WeakPolarHBondContact O-CE2 3.25Å; F96-F134 VanDerWaalsContact O-CZ 3.29Å; F96-F134 WeakPolarHBondContact O-CZ 3.5Å; G103-F134 WeakPolarHBondContact O-CE1 3.4Å; I106-F134 HydrophobicContact CB-CE1 4.17Å; I106-F134 HydrophobicContact CB-CZ 4.14Å; I106-F134 HydrophobicContact CD1-CE2 4.36Å; I106-F134 HydrophobicContact CD1-CZ 3.82Å; I106-F134 HydrophobicContact CG2-CD1 4.37Å; I106-F134 HydrophobicContact CG2-CE1 4.02Å; I106-F134 HydrophobicContact CG2-CE2 4.31Å; I106-F134 HydrophobicContact CG2-CZ 3.97Å; I107-F134 HydrophobicContact CD1-CD1 3.87Å; I107-F134 HydrophobicContact CD1-CE1 4.1Å; I107-F134 HydrophobicContact CG1-CD1 3.62Å; I107-F134 HydrophobicContact CG1-CE1 3.94Å; I130-F134 HydrophobicContact CG2-CD2 3.85Å; I130-F134 WeakPolarHBondContact O-CB 3.43Å; I130-F134 WeakPolarHBondContact O-CD2 3.4Å; I130-F134 PolarHBondContact O-N 2.98Å; R131-F134 CarbonylContact O-C 3.52Å; R131-F134 PolarHBondContact O-N 3.26Å; R131-F134 VanDerWaalsContact O-O 3.12Å; F134-M136 PolarHBondContact O-N 2.98Å; F134-A137 HydrophobicContact CB-CB 4.12Å; F134-A137 WeakPolarHBondContact O-CB 3.46Å; F134-A137 PolarHBondContact O-N 3.48Å; F134-P183 HydrophobicContact CB-CG 3.92Å; F134-P183 HydrophobicContact CD2-CG 4.17Å; F134-P183 HydrophobicContact CG-CG 4.04Å
135	P	92.5	Very high	94.3	Very high	96 Å²	96	35.1 Å²	35.1	62%	0.623	17%	0.173	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.8	-24.3	-174.3	-29.8	36.9	0	0	0	115.3	R131	R131-P135 VanDerWaalsContact O-CA 3.28Å; R131-P135 WeakPolarHBondContact O-CA 3.27Å
136	M	91.6	Very high	94.3	Very high	113 Å²	113	33.8 Å²	33.8	56%	0.557	17%	0.167	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87.9	-1	178.5	-64.3	-61.2	100.4	0	0	113.9	F134 Y266	F134-M136 PolarHBondContact O-N 2.98Å; M136-Y266 HydrophobicContact CB-CE1 4.2Å; M136-Y266 WeakPolarHBondContact CB-OH 3.41Å; M136-Y266 HydrophobicContact CG-CE1 4.28Å
137	A	95	Very high	94.2	Very high	12 Å²	12	36.5 Å²	36.5	10%	0.099	18%	0.177	C	C	.	.			trans	-58.4	138.4	177.9	0	0	0	0	0	111.4	I130 F134 P183	I130-A137 HydrophobicContact CG2-CB 4.49Å; F134-A137 HydrophobicContact CB-CB 4.12Å; F134-A137 WeakPolarHBondContact O-CB 3.46Å; F134-A137 PolarHBondContact O-N 3.48Å; A137-P183 VanDerWaalsContact CA-O 3.3Å; A137-P183 WeakPolarHBondContact CA-O 3.32Å; A137-P183 HydrophobicContact CB-CG 3.8Å
138	K	96.7	Very high	94.1	Very high	81 Å²	81	39.8 Å²	39.8	35%	0.352	19%	0.194	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	115.3	173.3	-62.6	-60.3	-174.8	-179.5	0	109.3	F140 Y181 P183 I184 V185	K138-F140 HydrophobicContact CB-CE2 3.56Å; K138-F140 HydrophobicContact CB-CZ 3.73Å; K138-Y181 HydrophobicContact CG-CD1 4.06Å; K138-Y181 HydrophobicContact CG-CD2 4.26Å; K138-Y181 HydrophobicContact CG-CG 3.81Å; K138-P183 PolarHBondContact N-O 2.72Å; K138-I184 CarbonylContact O-C 3.45Å; K138-I184 WeakPolarHBondContact O-CA 3.36Å; K138-V185 PolarHBondContact O-N 2.94Å
139	I	97.6	Very high	93.8	Very high	19 Å²	19	44.2 Å²	44.2	10%	0.097	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	130.4	179.5	-53.8	-174.7	0	0	0	108.7	S127 R131 V185 D187	S127-I139 VanDerWaalsContact O-CD1 3.29Å; S127-I139 WeakPolarHBondContact O-CD1 3.46Å; R131-I139 HydrophobicContact CB-CD1 3.82Å; R131-I139 HydrophobicContact CG-CD1 4.33Å; I139-V185 CarbonylContact C-O 3.59Å; I139-V185 WeakPolarHBondContact CA-O 3.15Å; I139-V185 HydrophobicContact CB-CB 4.45Å; I139-V185 HydrophobicContact CG1-CB 4.02Å; I139-V185 HydrophobicContact CG1-CG2 4.22Å; I139-V185 HydrophobicContact CG2-CB 4.42Å; I139-D187 HydrophobicContact CG2-CB 4.13Å
140	F	97.9	Very high	93.5	Very high	28 Å²	28	44.8 Å²	44.8	12%	0.123	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	132.6	177.4	-58.3	-74.2	0	0	0	110.1	K138 N172 V173 A176 I184 V185 I186 D187	K138-F140 HydrophobicContact CB-CE2 3.56Å; K138-F140 HydrophobicContact CB-CZ 3.73Å; F140-N172 HydrophobicContact CD1-CB 3.74Å; F140-N172 HydrophobicContact CE1-CB 3.77Å; F140-V173 HydrophobicContact CB-CG2 3.64Å; F140-V173 HydrophobicContact CD1-CG2 4.36Å; F140-V173 HydrophobicContact CD2-CB 4.49Å; F140-V173 HydrophobicContact CD2-CG2 3.64Å; F140-V173 HydrophobicContact CE2-CG2 4.4Å; F140-V173 HydrophobicContact CG-CG2 3.61Å; F140-A176 HydrophobicContact CE2-CB 3.57Å; F140-A176 HydrophobicContact CZ-CB 3.45Å; F140-A176 VanDerWaalsContact CZ-CB 3.45Å; F140-I184 HydrophobicContact CD2-CG2 3.88Å; F140-I184 HydrophobicContact CE2-CG2 3.96Å; F140-V185 PolarHBondContact N-O 2.69Å; F140-I186 HydrophobicContact CB-CD1 4.35Å; F140-I186 HydrophobicContact CD2-CD1 4.33Å; F140-D187 PolarHBondContact O-N 2.97Å
141	S	96.8	Very high	93.2	Very high	6 Å²	6	51.6 Å²	51.6	4%	0.042	26%	0.256	C	S	.	.			trans	-134.8	144.6	169.9	-179.6	0	0	0	0	109.6	D143 D144 D187 N188	S141-D143 PolarHBondContact O-N 2.91Å; S141-D143 WeakPolarHBondContact OG-CB 3.31Å; S141-D143 PolarHBondContact OG-N 3.3Å; S141-D144 WeakPolarHBondContact O-CB 3.5Å; S141-D144 PolarHBondContact O-N 3.05Å; S141-D187 PolarHBondContact OG-O 3.5Å; S141-N188 PolarHBondContact OG-OD1 3.47Å
142	A	95.3	Very high	92.8	Very high	5 Å²	5	46.9 Å²	46.9	4%	0.041	24%	0.243	C	C	.	.	G	3₁₀ helix	trans	-65.5	-24	168	0	0	0	0	0	111	D144 F145 C169 N188	A142-D144 PolarHBondContact O-N 2.8Å; A142-F145 VanDerWaalsContact O-CB 3.3Å; A142-F145 WeakPolarHBondContact O-CB 3.46Å; A142-F145 PolarHBondContact O-N 2.98Å; A142-C169 HydrophobicContact CB-CB 4.15Å; A142-N188 PolarHBondContact N-OD1 2.68Å
143	D	93.3	Very high	92.5	Very high	47 Å²	47	49.2 Å²	49.2	25%	0.251	26%	0.262	S	S	.	.	G	3₁₀ helix	trans	-66.6	-22.4	176.5	-75.3	-41.8	0	0	0	113.1	S141 F145 W146 Y147 Y155 H232	S141-D143 PolarHBondContact O-N 2.91Å; S141-D143 WeakPolarHBondContact OG-CB 3.31Å; S141-D143 PolarHBondContact OG-N 3.3Å; D143-F145 PolarHBondContact O-N 3.32Å; D143-W146 PolarHBondContact O-N 3.14Å; D143-Y147 VanDerWaalsContact O-CD2 3.29Å; D143-Y147 WeakPolarHBondContact O-CD2 3.37Å; D143-Y155 HydrophobicContact CB-CE2 4.03Å; D143-Y155 PolarHBondContact OD1-OH 3.19Å; D143-H232 IonicContact OD2-CD2 2.7Å; D143-H232 IonicContact OD2-NE2 3.2Å
144	D	93.8	Very high	92.3	Very high	35 Å²	35	52.8 Å²	52.8	19%	0.187	28%	0.281	C	S	.	.	G	3₁₀ helix	trans	-63.9	-25	176.7	-68.7	-23.4	0	0	0	111.9	R15 S141 A142 W146 Y147 W168	R15-D144 IonicContact CZ-OD1 3.71Å; R15-D144 VanDerWaalsContact NH1-CG 3.33Å; R15-D144 IonicContact NH1-OD1 3.37Å; R15-D144 PolarHBondContact NH1-OD1 2.88Å; R15-D144 IonicContact NH1-OD2 3.91Å; R15-D144 PolarHBondContact NH1-OD2 2.84Å; S141-D144 WeakPolarHBondContact O-CB 3.5Å; S141-D144 PolarHBondContact O-N 3.05Å; A142-D144 PolarHBondContact O-N 2.8Å; D144-W146 VanDerWaalsContact C-N 3.32Å; D144-W146 PolarHBondContact O-N 3.34Å; D144-Y147 PolarHBondContact O-N 2.89Å; D144-W168 HydrophobicContact CB-CH2 3.78Å; D144-W168 HydrophobicContact CB-CZ3 3.75Å
145	F	95	Very high	92.2	Very high	13 Å²	13	55.7 Å²	55.7	6%	0.057	29%	0.292	C	S	.	.	G	3₁₀ helix	trans	-62.8	-37.7	177.2	-179.6	-95.3	0	0	0	112.3	A142 D143 Y147 L148 E164 A165 W168	A142-F145 VanDerWaalsContact O-CB 3.3Å; A142-F145 WeakPolarHBondContact O-CB 3.46Å; A142-F145 PolarHBondContact O-N 2.98Å; D143-F145 PolarHBondContact O-N 3.32Å; F145-Y147 PolarHBondContact O-N 2.94Å; F145-Y147 VanDerWaalsContact O-N 3.1Å; F145-L148 HydrophobicContact CD2-CD1 3.6Å; F145-L148 HydrophobicContact CE2-CD1 4.08Å; F145-L148 HydrophobicContact CG-CD1 4.23Å; F145-L148 WeakPolarHBondContact O-CB 3.45Å; F145-L148 VanDerWaalsContact O-CG 3.28Å; F145-L148 WeakPolarHBondContact O-CG 3.38Å; F145-L148 PolarHBondContact O-N 3.09Å; F145-E164 HydrophobicContact CE2-CG 4.01Å; F145-E164 HydrophobicContact CZ-CB 4.25Å; F145-E164 VanDerWaalsContact CZ-CD 3.41Å; F145-E164 HydrophobicContact CZ-CG 3.7Å; F145-A165 HydrophobicContact CB-CB 3.78Å; F145-A165 HydrophobicContact CD1-CB 3.46Å; F145-A165 VanDerWaalsContact CD1-CB 3.46Å; F145-A165 HydrophobicContact CD2-CB 4.48Å; F145-A165 HydrophobicContact CE1-CB 4.15Å; F145-A165 HydrophobicContact CG-CB 3.66Å; F145-W168 HydrophobicContact CB-CD2 4.4Å; F145-W168 HydrophobicContact CB-CE3 4.09Å; F145-W168 HydrophobicContact CD2-CB 3.62Å; F145-W168 HydrophobicContact CD2-CD2 4.03Å; F145-W168 AromaticContact CD2-CG 3.62Å; F145-W168 HydrophobicContact CD2-CG 3.62Å; F145-W168 HydrophobicContact CE2-CB 4.1Å; F145-W168 HydrophobicContact CE2-CG 4.27Å
146	W	94.1	Very high	92	Very high	7 Å²	7	54.6 Å²	54.6	3%	0.027	28%	0.279	C	S	.	.	G	3₁₀ helix	trans	-72.8	-4.3	-175.3	-51.9	118.3	0	0	0	114	D143 D144 Y155 Q156 F157 D158 R161 L162 A165	D143-W146 PolarHBondContact O-N 3.14Å; D144-W146 VanDerWaalsContact C-N 3.32Å; D144-W146 PolarHBondContact O-N 3.34Å; W146-Y155 HydrophobicContact CB-CD2 3.72Å; W146-Y155 HydrophobicContact CB-CE2 3.71Å; W146-Y155 HydrophobicContact CB-CG 4.32Å; W146-Y155 AromaticContact CD1-CE2 3.41Å; W146-Y155 VanDerWaalsContact CD1-CE2 3.41Å; W146-Y155 AromaticContact CD1-CZ 3.6Å; W146-Y155 HydrophobicContact CG-CD2 4.38Å; W146-Y155 AromaticContact CG-CE2 3.86Å; W146-Y155 HydrophobicContact CG-CE2 3.86Å; W146-Q156 PolarHBondContact O-N 3.42Å; W146-F157 HydrophobicContact CD2-CB 4.5Å; W146-F157 HydrophobicContact CD2-CD2 4.13Å; W146-F157 AromaticContact CE2-CD2 3.58Å; W146-F157 HydrophobicContact CH2-CD2 4.36Å; W146-F157 AromaticContact CZ2-CD2 3.71Å; W146-F157 HydrophobicContact CZ2-CD2 3.71Å; W146-F157 AromaticContact CZ2-CE2 3.82Å; W146-F157 HydrophobicContact CZ2-CE2 3.82Å; W146-F157 AromaticContact NE1-CD2 3.73Å; W146-D158 WeakPolarHBondContact CH2-O 3.26Å; W146-D158 HydrophobicContact CZ3-CB 3.99Å; W146-D158 WeakPolarHBondContact CZ3-O 3.43Å; W146-R161 HydrophobicContact CH2-CB 4.02Å; W146-R161 HydrophobicContact CZ3-CB 4Å; W146-L162 HydrophobicContact CZ2-CD1 4.26Å; W146-A165 HydrophobicContact CH2-CB 3.92Å; W146-A165 HydrophobicContact CZ2-CB 3.49Å; W146-A165 VanDerWaalsContact CZ2-CB 3.49Å
147	Y	92.3	Very high	92	Very high	62 Å²	62	54.1 Å²	54.1	24%	0.243	27%	0.274	C	S	.	.	G	3₁₀ helix	trans	-99.9	-8.3	173.8	-65.4	-82.4	0	0	0	112.7	D143 D144 F145 S150 N151 G152 Y155	D143-Y147 VanDerWaalsContact O-CD2 3.29Å; D143-Y147 WeakPolarHBondContact O-CD2 3.37Å; D144-Y147 PolarHBondContact O-N 2.89Å; F145-Y147 PolarHBondContact O-N 2.94Å; F145-Y147 VanDerWaalsContact O-N 3.1Å; Y147-S150 PolarHBondContact O-N 2.89Å; Y147-S150 PolarHBondContact O-OG 3.21Å; Y147-S150 VanDerWaalsContact O-OG 3.08Å; Y147-N151 PolarHBondContact O-N 2.78Å; Y147-G152 WeakPolarHBondContact O-CA 3.43Å; Y147-G152 PolarHBondContact O-N 2.79Å; Y147-Y155 HydrophobicContact CD2-CD2 4.28Å; Y147-Y155 HydrophobicContact CE1-CD2 4.34Å; Y147-Y155 AromaticContact CE2-CD2 3.61Å; Y147-Y155 HydrophobicContact CE2-CD2 3.61Å; Y147-Y155 HydrophobicContact CE2-CE2 4.33Å; Y147-Y155 AromaticContact CZ-CD2 3.64Å
148	L	91.4	Very high	91.9	Very high	71 Å²	71	56.5 Å²	56.5	37%	0.372	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.5	-45.5	-172.1	-65.4	175.6	0	0	0	112.4	F145 S150 N151 W168	F145-L148 HydrophobicContact CD2-CD1 3.6Å; F145-L148 HydrophobicContact CE2-CD1 4.08Å; F145-L148 HydrophobicContact CG-CD1 4.23Å; F145-L148 WeakPolarHBondContact O-CB 3.45Å; F145-L148 VanDerWaalsContact O-CG 3.28Å; F145-L148 WeakPolarHBondContact O-CG 3.38Å; F145-L148 PolarHBondContact O-N 3.09Å; L148-S150 VanDerWaalsContact C-N 3.28Å; L148-S150 PolarHBondContact O-N 3.44Å; L148-N151 PolarHBondContact O-N 2.95Å; L148-N151 VanDerWaalsContact O-N 3.11Å; L148-W168 HydrophobicContact CD1-CD2 4.31Å; L148-W168 HydrophobicContact CD1-CZ2 4.09Å; L148-W168 HydrophobicContact CD2-CZ2 4.06Å
149	E	88.1	Confident	91.7	Very high	116 Å²	116	58.7 Å²	58.7	54%	0.542	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.3	-28	-176.6	-67.8	-175.2	167.7	0	0	113	N151 R161	E149-N151 VanDerWaalsContact C-N 3.3Å; E149-R161 IonicContact OE1-CZ 3.26Å; E149-R161 IonicContact OE1-NH1 2.66Å; E149-R161 PolarHBondContact OE1-NH1 2.96Å; E149-R161 IonicContact OE1-NH2 3.57Å; E149-R161 PolarHBondContact OE1-NH2 2.97Å; E149-R161 IonicContact OE2-NH1 2.86Å; E149-R161 PolarHBondContact OE2-NH1 2.86Å; E149-R161 VanDerWaalsContact OE2-NH1 3.12Å
150	S	87.1	Confident	91.5	Very high	18 Å²	18	62.3 Å²	62.3	13%	0.126	33%	0.326	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.8	10.1	175.4	66.4	0	0	0	0	113.1	Y147 L148 G152 C153 E154	Y147-S150 PolarHBondContact O-N 2.89Å; Y147-S150 PolarHBondContact O-OG 3.21Å; Y147-S150 VanDerWaalsContact O-OG 3.08Å; L148-S150 VanDerWaalsContact C-N 3.28Å; L148-S150 PolarHBondContact O-N 3.44Å; S150-G152 PolarHBondContact O-N 2.9Å; S150-C153 VanDerWaalsContact O-CB 3.29Å; S150-C153 WeakPolarHBondContact O-CB 3.23Å; S150-C153 PolarHBondContact O-N 2.84Å; S150-C153 VanDerWaalsContact O-N 3.08Å; S150-C153 PolarHBondContact O-SG 2.86Å; S150-C153 VanDerWaalsContact O-SG 3.41Å; S150-C153 PolarHBondContact OG-N 2.82Å; S150-E154 WeakPolarHBondContact CB-O 3.39Å; S150-E154 PolarHBondContact OG-N 2.93Å; S150-E154 PolarHBondContact OG-O 3.47Å
151	N	86.7	Confident	91.4	Very high	143 Å²	143	63.4 Å²	63.4	77%	0.765	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.4	34.6	-173.9	-67.8	-37.1	0	0	0	113.6	Y147 L148 E149	Y147-N151 PolarHBondContact O-N 2.78Å; L148-N151 PolarHBondContact O-N 2.95Å; L148-N151 VanDerWaalsContact O-N 3.11Å; E149-N151 VanDerWaalsContact C-N 3.3Å
152	G	85.4	Confident	91.3	Very high	17 Å²	17	66.3 Å²	66.3	18%	0.175	34%	0.344	C	S	.	.	T	Hydrogen-bonded Turn	trans	97.8	-10.5	-179.9	0	0	0	0	0	115.1	S12 Y147 S150	S12-G152 WeakPolarHBondContact CB-O 3.47Å; Y147-G152 WeakPolarHBondContact O-CA 3.43Å; Y147-G152 PolarHBondContact O-N 2.79Å; S150-G152 PolarHBondContact O-N 2.9Å
153	C	85.8	Confident	91.2	Very high	92 Å²	92	70.6 Å²	70.6	62%	0.622	37%	0.374	S	S	*	.	S	Bend	trans	-82.3	-40.4	-165.9	-64.8	0	0	0	0	114.2	S150	S150-C153 VanDerWaalsContact O-CB 3.29Å; S150-C153 WeakPolarHBondContact O-CB 3.23Å; S150-C153 PolarHBondContact O-N 2.84Å; S150-C153 VanDerWaalsContact O-N 3.08Å; S150-C153 PolarHBondContact O-SG 2.86Å; S150-C153 VanDerWaalsContact O-SG 3.41Å; S150-C153 PolarHBondContact OG-N 2.82Å
154	E	89	Confident	91.4	Very high	124 Å²	124	72.6 Å²	72.6	58%	0.579	38%	0.381	S	S	*	.			trans	-133.5	139.7	-171.2	-65.1	-174.3	167.8	0	0	111.7	S150 Q156	S150-E154 WeakPolarHBondContact CB-O 3.39Å; S150-E154 PolarHBondContact OG-N 2.93Å; S150-E154 PolarHBondContact OG-O 3.47Å; E154-Q156 HydrophobicContact CB-CG 4.33Å; E154-Q156 PolarHBondContact O-N 2.92Å
155	Y	90.2	Very high	91.5	Very high	64 Å²	64	70.9 Å²	70.9	25%	0.251	37%	0.372	S	S	.	.			trans	-81.8	111.8	174.3	-176.4	-98.3	0	0	0	109.8	D143 W146 Y147 F157 H232	D143-Y155 HydrophobicContact CB-CE2 4.03Å; D143-Y155 PolarHBondContact OD1-OH 3.19Å; W146-Y155 HydrophobicContact CB-CD2 3.72Å; W146-Y155 HydrophobicContact CB-CE2 3.71Å; W146-Y155 HydrophobicContact CB-CG 4.32Å; W146-Y155 AromaticContact CD1-CE2 3.41Å; W146-Y155 VanDerWaalsContact CD1-CE2 3.41Å; W146-Y155 AromaticContact CD1-CZ 3.6Å; W146-Y155 HydrophobicContact CG-CD2 4.38Å; W146-Y155 AromaticContact CG-CE2 3.86Å; W146-Y155 HydrophobicContact CG-CE2 3.86Å; Y147-Y155 HydrophobicContact CD2-CD2 4.28Å; Y147-Y155 HydrophobicContact CE1-CD2 4.34Å; Y147-Y155 AromaticContact CE2-CD2 3.61Å; Y147-Y155 HydrophobicContact CE2-CD2 3.61Å; Y147-Y155 HydrophobicContact CE2-CE2 4.33Å; Y147-Y155 AromaticContact CZ-CD2 3.64Å; Y155-F157 HydrophobicContact CD1-CB 4.17Å; Y155-F157 HydrophobicContact CE1-CB 3.51Å; Y155-F157 HydrophobicContact CE1-CG 4.39Å; Y155-H232 AromaticContact CD1-ND1 3.83Å; Y155-H232 AromaticContact CD2-CE1 3.7Å; Y155-H232 AromaticContact CD2-ND1 3.47Å; Y155-H232 WeakPolarHBondContact CD2-ND1 3.39Å; Y155-H232 HydrophobicContact CE1-CB 3.91Å; Y155-H232 AromaticContact CE1-ND1 3.7Å; Y155-H232 AromaticContact CE2-CE1 3.56Å; Y155-H232 AromaticContact CE2-ND1 3.33Å; Y155-H232 VanDerWaalsContact CE2-ND1 3.33Å; Y155-H232 WeakPolarHBondContact CE2-ND1 3.22Å; Y155-H232 AromaticContact CG-ND1 3.72Å; Y155-H232 AromaticContact CZ-CG 3.76Å; Y155-H232 AromaticContact CZ-ND1 3.48Å
156	Q	89.5	Confident	91.5	Very high	73 Å²	73	73.4 Å²	73.4	34%	0.341	38%	0.384	S	S	.	.			trans	-115.8	69.1	-172.8	-65.2	178.9	-15.5	0	0	111.1	W146 E154 D158	W146-Q156 PolarHBondContact O-N 3.42Å; E154-Q156 HydrophobicContact CB-CG 4.33Å; E154-Q156 PolarHBondContact O-N 2.92Å; Q156-D158 PolarHBondContact O-N 3.36Å
157	F	91.6	Very high	91.7	Very high	104 Å²	104	78.6 Å²	78.6	46%	0.456	41%	0.409	S	S	.	.			trans	-67	126.2	-178.6	179	-95.4	0	0	0	112.6	W146 Y155 I159 L162	W146-F157 HydrophobicContact CD2-CB 4.5Å; W146-F157 HydrophobicContact CD2-CD2 4.13Å; W146-F157 AromaticContact CE2-CD2 3.58Å; W146-F157 HydrophobicContact CH2-CD2 4.36Å; W146-F157 AromaticContact CZ2-CD2 3.71Å; W146-F157 HydrophobicContact CZ2-CD2 3.71Å; W146-F157 AromaticContact CZ2-CE2 3.82Å; W146-F157 HydrophobicContact CZ2-CE2 3.82Å; W146-F157 AromaticContact NE1-CD2 3.73Å; Y155-F157 HydrophobicContact CD1-CB 4.17Å; Y155-F157 HydrophobicContact CE1-CB 3.51Å; Y155-F157 HydrophobicContact CE1-CG 4.39Å; F157-I159 HydrophobicContact CE1-CB 3.94Å; F157-I159 HydrophobicContact CZ-CB 4.21Å; F157-I159 HydrophobicContact CZ-CG1 4.49Å; F157-L162 HydrophobicContact CE2-CD1 4.35Å
158	D	91.7	Very high	91.9	Very high	61 Å²	61	79.2 Å²	79.2	33%	0.326	41%	0.411	S	S	.	.			trans	-129	109.6	173.3	178.9	-3.3	0	0	0	110	W146 Q156 S160 R161 L162	W146-D158 WeakPolarHBondContact CH2-O 3.26Å; W146-D158 HydrophobicContact CZ3-CB 3.99Å; W146-D158 WeakPolarHBondContact CZ3-O 3.43Å; Q156-D158 PolarHBondContact O-N 3.36Å; D158-S160 PolarHBondContact O-N 3.41Å; D158-S160 VanDerWaalsContact O-N 3.1Å; D158-S160 WeakPolarHBondContact OD1-CB 3.09Å; D158-S160 PolarHBondContact OD1-N 3.01Å; D158-S160 PolarHBondContact OD1-OG 3.43Å; D158-S160 PolarHBondContact OD2-OG 3.17Å; D158-R161 HydrophobicContact CB-CB 4.44Å; D158-R161 HydrophobicContact CB-CG 4.48Å; D158-R161 PolarHBondContact O-N 3.49Å; D158-R161 WeakPolarHBondContact OD2-CD 3.38Å; D158-L162 PolarHBondContact O-N 3.12Å
159	I	92	Very high	92.2	Very high	128 Å²	128	75.9 Å²	75.9	66%	0.656	39%	0.393	S	S	*	.	G	3₁₀ helix	trans	-57.2	-29.3	-178.8	-165.6	167.9	0	0	0	113.1	F157 R161 L162	F157-I159 HydrophobicContact CE1-CB 3.94Å; F157-I159 HydrophobicContact CZ-CB 4.21Å; F157-I159 HydrophobicContact CZ-CG1 4.49Å; I159-R161 PolarHBondContact O-N 3.04Å; I159-L162 WeakPolarHBondContact O-CB 3.42Å; I159-L162 PolarHBondContact O-N 3.13Å
160	S	95.3	Very high	92.6	Very high	95 Å²	95	72.4 Å²	72.4	66%	0.664	38%	0.377	S	S	*	.	G	3₁₀ helix	trans	-67.7	-20	179.4	75.9	0	0	0	0	112.8	D158	D158-S160 PolarHBondContact O-N 3.41Å; D158-S160 VanDerWaalsContact O-N 3.1Å; D158-S160 WeakPolarHBondContact OD1-CB 3.09Å; D158-S160 PolarHBondContact OD1-N 3.01Å; D158-S160 PolarHBondContact OD1-OG 3.43Å; D158-S160 PolarHBondContact OD2-OG 3.17Å
161	R	95.5	Very high	93.1	Very high	51 Å²	51	75.2 Å²	75.2	19%	0.192	39%	0.391	C	S	.	.	G	3₁₀ helix	trans	-108.1	10.8	-179.2	-63.3	173.9	64	-166.9	11.5	113.2	W146 E149 D158 I159 S163 E164 A165	W146-R161 HydrophobicContact CH2-CB 4.02Å; W146-R161 HydrophobicContact CZ3-CB 4Å; E149-R161 IonicContact OE1-CZ 3.26Å; E149-R161 IonicContact OE1-NH1 2.66Å; E149-R161 PolarHBondContact OE1-NH1 2.96Å; E149-R161 IonicContact OE1-NH2 3.57Å; E149-R161 PolarHBondContact OE1-NH2 2.97Å; E149-R161 IonicContact OE2-NH1 2.86Å; E149-R161 PolarHBondContact OE2-NH1 2.86Å; E149-R161 VanDerWaalsContact OE2-NH1 3.12Å; D158-R161 HydrophobicContact CB-CB 4.44Å; D158-R161 HydrophobicContact CB-CG 4.48Å; D158-R161 PolarHBondContact O-N 3.49Å; D158-R161 WeakPolarHBondContact OD2-CD 3.38Å; I159-R161 PolarHBondContact O-N 3.04Å; R161-S163 PolarHBondContact O-N 2.96Å; R161-E164 HydrophobicContact CB-CB 4.4Å; R161-E164 IonicContact CZ-OE2 3.12Å; R161-E164 IonicContact NE-OE2 2.68Å; R161-E164 PolarHBondContact NE-OE2 3.22Å; R161-E164 IonicContact NH2-OE1 3.6Å; R161-E164 IonicContact NH2-OE2 2.78Å; R161-E164 WeakPolarHBondContact O-CA 3.49Å; R161-E164 VanDerWaalsContact O-CB 3.32Å; R161-E164 WeakPolarHBondContact O-CB 3.45Å; R161-E164 PolarHBondContact O-N 3.35Å; R161-A165 PolarHBondContact O-N 3.05Å
162	L	93.5	Very high	93.7	Very high	67 Å²	67	70.5 Å²	70.5	35%	0.351	37%	0.365	S	S	.	.	H	α-helix	trans	-57	-38.5	-179.4	-178.3	61.6	0	0	0	112.4	W146 F157 D158 I159 A165 H166	W146-L162 HydrophobicContact CZ2-CD1 4.26Å; F157-L162 HydrophobicContact CE2-CD1 4.35Å; D158-L162 PolarHBondContact O-N 3.12Å; I159-L162 WeakPolarHBondContact O-CB 3.42Å; I159-L162 PolarHBondContact O-N 3.13Å; L162-A165 PolarHBondContact O-N 3.38Å; L162-H166 PolarHBondContact O-CD2 2.93Å; L162-H166 PolarHBondContact O-N 2.93Å; L162-H166 VanDerWaalsContact O-N 3.1Å
163	S	94.6	Very high	94.2	Very high	95 Å²	95	69.7 Å²	69.7	66%	0.664	36%	0.357	S	S	*	.	H	α-helix	trans	-64.2	-40.6	175.5	-169.3	0	0	0	0	112	R161 H166 E167	R161-S163 PolarHBondContact O-N 2.96Å; S163-H166 PolarHBondContact O-N 2.88Å; S163-E167 WeakPolarHBondContact O-CB 3.27Å; S163-E167 PolarHBondContact O-N 3.35Å
164	E	96.8	Very high	94.8	Very high	88 Å²	88	69.6 Å²	69.6	41%	0.411	34%	0.344	S	S	.	.	H	α-helix	trans	-64.7	-44.2	177.8	-170	-170.9	174.2	0	0	110.8	F145 R161 H166 E167 W168	F145-E164 HydrophobicContact CE2-CG 4.01Å; F145-E164 HydrophobicContact CZ-CB 4.25Å; F145-E164 VanDerWaalsContact CZ-CD 3.41Å; F145-E164 HydrophobicContact CZ-CG 3.7Å; R161-E164 HydrophobicContact CB-CB 4.4Å; R161-E164 IonicContact CZ-OE2 3.12Å; R161-E164 IonicContact NE-OE2 2.68Å; R161-E164 PolarHBondContact NE-OE2 3.22Å; R161-E164 IonicContact NH2-OE1 3.6Å; R161-E164 IonicContact NH2-OE2 2.78Å; R161-E164 WeakPolarHBondContact O-CA 3.49Å; R161-E164 VanDerWaalsContact O-CB 3.32Å; R161-E164 WeakPolarHBondContact O-CB 3.45Å; R161-E164 PolarHBondContact O-N 3.35Å; E164-H166 VanDerWaalsContact C-N 3.34Å; E164-H166 PolarHBondContact O-N 3.29Å; E164-E167 PolarHBondContact O-N 2.97Å; E164-W168 WeakPolarHBondContact O-CB 3.37Å; E164-W168 PolarHBondContact O-N 3.46Å
165	A	95.9	Very high	95.2	Very high	0 Å²	0	68.1 Å²	68.1	0%	0	34%	0.34	C	S	.	.	H	α-helix	trans	-59.6	-43.6	176.4	0	0	0	0	0	112.4	F145 W146 R161 L162 C169	F145-A165 HydrophobicContact CB-CB 3.78Å; F145-A165 HydrophobicContact CD1-CB 3.46Å; F145-A165 VanDerWaalsContact CD1-CB 3.46Å; F145-A165 HydrophobicContact CD2-CB 4.48Å; F145-A165 HydrophobicContact CE1-CB 4.15Å; F145-A165 HydrophobicContact CG-CB 3.66Å; W146-A165 HydrophobicContact CH2-CB 3.92Å; W146-A165 HydrophobicContact CZ2-CB 3.49Å; W146-A165 VanDerWaalsContact CZ2-CB 3.49Å; R161-A165 PolarHBondContact O-N 3.05Å; L162-A165 PolarHBondContact O-N 3.38Å; A165-C169 PolarHBondContact O-N 3.42Å
166	H	95.7	Very high	95.5	Very high	66 Å²	66	65.2 Å²	65.2	31%	0.306	33%	0.33	S	S	.	.	H	α-helix	trans	-67.6	-41.8	175.3	-79	-60	0	0	0	112.3	L162 S163 E164 C169 H170	L162-H166 PolarHBondContact O-CD2 2.93Å; L162-H166 PolarHBondContact O-N 2.93Å; L162-H166 VanDerWaalsContact O-N 3.1Å; S163-H166 PolarHBondContact O-N 2.88Å; E164-H166 VanDerWaalsContact C-N 3.34Å; E164-H166 PolarHBondContact O-N 3.29Å; H166-C169 PolarHBondContact O-N 3.04Å; H166-H170 WeakPolarHBondContact O-CB 3.44Å; H166-H170 PolarHBondContact O-CD2 3.25Å; H166-H170 VanDerWaalsContact O-CD2 3.29Å; H166-H170 PolarHBondContact O-N 2.92Å; H166-H170 PolarHBondContact O-ND1 3.4Å
167	E	96.7	Very high	95.7	Very high	116 Å²	116	61.8 Å²	61.8	54%	0.542	31%	0.314	S	S	.	.	H	α-helix	trans	-62.4	-41.9	176	-175.3	171.3	-171.7	0	0	112.1	S163 E164 H170 N171	S163-E167 WeakPolarHBondContact O-CB 3.27Å; S163-E167 PolarHBondContact O-N 3.35Å; E164-E167 PolarHBondContact O-N 2.97Å; E167-H170 WeakPolarHBondContact O-CB 3.3Å; E167-H170 PolarHBondContact O-N 3.49Å; E167-N171 WeakPolarHBondContact O-CB 3.2Å; E167-N171 VanDerWaalsContact O-CG 3.29Å; E167-N171 PolarHBondContact O-N 2.91Å; E167-N171 PolarHBondContact O-ND2 3.33Å
168	W	97.2	Very high	95.8	Very high	75 Å²	75	59.9 Å²	59.9	28%	0.284	31%	0.313	S	S	.	.	H	α-helix	trans	-59.3	-47.5	173.5	178.5	93.2	0	0	0	111.7	D144 F145 L148 E164 H170 N171 N172	D144-W168 HydrophobicContact CB-CH2 3.78Å; D144-W168 HydrophobicContact CB-CZ3 3.75Å; F145-W168 HydrophobicContact CB-CD2 4.4Å; F145-W168 HydrophobicContact CB-CE3 4.09Å; F145-W168 HydrophobicContact CD2-CB 3.62Å; F145-W168 HydrophobicContact CD2-CD2 4.03Å; F145-W168 AromaticContact CD2-CG 3.62Å; F145-W168 HydrophobicContact CD2-CG 3.62Å; F145-W168 HydrophobicContact CE2-CB 4.1Å; F145-W168 HydrophobicContact CE2-CG 4.27Å; L148-W168 HydrophobicContact CD1-CD2 4.31Å; L148-W168 HydrophobicContact CD1-CZ2 4.09Å; L148-W168 HydrophobicContact CD2-CZ2 4.06Å; E164-W168 WeakPolarHBondContact O-CB 3.37Å; E164-W168 PolarHBondContact O-N 3.46Å; W168-H170 VanDerWaalsContact C-N 3.35Å; W168-H170 PolarHBondContact O-N 3.35Å; W168-N171 PolarHBondContact O-N 3.46Å; W168-N172 VanDerWaalsContact CD2-ND2 3.26Å; W168-N172 WeakPolarHBondContact CH2-ND2 3.48Å; W168-N172 WeakPolarHBondContact CZ2-ND2 3.46Å; W168-N172 VanDerWaalsContact CZ3-ND2 3.34Å; W168-N172 WeakPolarHBondContact CZ3-ND2 3.11Å; W168-N172 PolarHBondContact O-N 3.03Å; W168-N172 VanDerWaalsContact O-N 3.07Å; W168-N172 PolarHBondContact O-ND2 3.07Å
169	C	97.6	Very high	95.9	Very high	0 Å²	0	60 Å²	60	0%	0	32%	0.318	C	S	.	.	H	α-helix	trans	-61.5	-44.8	176.2	-178.1	0	0	0	0	111.1	A142 A165 H166 N171 N172 V173	A142-C169 HydrophobicContact CB-CB 4.15Å; A165-C169 PolarHBondContact O-N 3.42Å; H166-C169 PolarHBondContact O-N 3.04Å; C169-N171 PolarHBondContact O-N 3.36Å; C169-N172 PolarHBondContact O-N 3.33Å; C169-V173 VanDerWaalsContact O-CG2 3.31Å; C169-V173 WeakPolarHBondContact O-CG2 3.22Å; C169-V173 PolarHBondContact O-N 3.34Å
170	H	97.6	Very high	95.8	Very high	43 Å²	43	54 Å²	54	20%	0.199	29%	0.288	C	S	.	.	H	α-helix	trans	-57.7	-47.1	177.3	-73	173.5	0	0	0	111.9	H166 E167 W168 N172 V173 Y174 Y198 Y199	H166-H170 WeakPolarHBondContact O-CB 3.44Å; H166-H170 PolarHBondContact O-CD2 3.25Å; H166-H170 VanDerWaalsContact O-CD2 3.29Å; H166-H170 PolarHBondContact O-N 2.92Å; H166-H170 PolarHBondContact O-ND1 3.4Å; E167-H170 WeakPolarHBondContact O-CB 3.3Å; E167-H170 PolarHBondContact O-N 3.49Å; W168-H170 VanDerWaalsContact C-N 3.35Å; W168-H170 PolarHBondContact O-N 3.35Å; H170-N172 PolarHBondContact O-N 2.69Å; H170-V173 PolarHBondContact O-N 3.15Å; H170-Y174 WeakPolarHBondContact O-CB 3.43Å; H170-Y174 PolarHBondContact O-N 3Å; H170-Y198 HydrophobicContact CB-CD1 3.97Å; H170-Y198 HydrophobicContact CB-CE1 3.34Å; H170-Y198 HydrophobicContact CB-CE2 4.17Å; H170-Y198 VanDerWaalsContact CB-CZ 3.49Å; H170-Y198 AromaticContact CD2-CD1 3.31Å; H170-Y198 WeakPolarHBondContact CD2-CD1 3.42Å; H170-Y198 AromaticContact CD2-CE1 3.65Å; H170-Y198 AromaticContact CD2-CG 3.86Å; H170-Y198 AromaticContact CE1-CG 3.88Å; H170-Y198 AromaticContact CG-CD1 3.48Å; H170-Y198 VanDerWaalsContact CG-CD1 3.48Å; H170-Y198 AromaticContact CG-CE1 3.43Å; H170-Y198 VanDerWaalsContact CG-CE1 3.43Å; H170-Y198 AromaticContact CG-CG 3.87Å; H170-Y198 AromaticContact CG-CZ 3.82Å; H170-Y198 AromaticContact ND1-CD1 3.99Å; H170-Y198 AromaticContact ND1-CD2 3.98Å; H170-Y198 AromaticContact ND1-CG 3.89Å; H170-Y198 AromaticContact NE2-CD1 3.76Å; H170-Y198 AromaticContact NE2-CG 3.86Å; H170-Y198 PolarHBondContact O-OH 3.42Å; H170-Y199 AromaticContact CD2-CE1 3.89Å; H170-Y199 AromaticContact CD2-CZ 3.8Å; H170-Y199 PolarHBondContact CD2-OH 3Å; H170-Y199 AromaticContact NE2-CZ 3.89Å; H170-Y199 PolarHBondContact NE2-OH 3.36Å
171	N	97.6	Very high	95.7	Very high	78 Å²	78	53.7 Å²	53.7	42%	0.417	27%	0.273	S	S	.	.	H	α-helix	trans	-62.8	-39.7	178.1	-73	-27.4	0	0	0	112.4	E167 W168 C169 Y174 N175	E167-N171 WeakPolarHBondContact O-CB 3.2Å; E167-N171 VanDerWaalsContact O-CG 3.29Å; E167-N171 PolarHBondContact O-N 2.91Å; E167-N171 PolarHBondContact O-ND2 3.33Å; W168-N171 PolarHBondContact O-N 3.46Å; C169-N171 PolarHBondContact O-N 3.36Å; N171-Y174 WeakPolarHBondContact O-CB 3.47Å; N171-Y174 PolarHBondContact O-N 2.67Å; N171-N175 VanDerWaalsContact O-CG 3.24Å; N171-N175 PolarHBondContact O-N 3.25Å; N171-N175 PolarHBondContact O-ND2 3.43Å
172	N	97.6	Very high	95.4	Very high	44 Å²	44	51.2 Å²	51.2	24%	0.235	26%	0.263	C	S	.	.	H	α-helix	trans	-65	-42.7	175.5	-73.9	-33.2	0	0	0	112.5	F140 W168 C169 H170 Y174 N175 A176	F140-N172 HydrophobicContact CD1-CB 3.74Å; F140-N172 HydrophobicContact CE1-CB 3.77Å; W168-N172 VanDerWaalsContact CD2-ND2 3.26Å; W168-N172 WeakPolarHBondContact CH2-ND2 3.48Å; W168-N172 WeakPolarHBondContact CZ2-ND2 3.46Å; W168-N172 VanDerWaalsContact CZ3-ND2 3.34Å; W168-N172 WeakPolarHBondContact CZ3-ND2 3.11Å; W168-N172 PolarHBondContact O-N 3.03Å; W168-N172 VanDerWaalsContact O-N 3.07Å; W168-N172 PolarHBondContact O-ND2 3.07Å; C169-N172 PolarHBondContact O-N 3.33Å; H170-N172 PolarHBondContact O-N 2.69Å; N172-Y174 VanDerWaalsContact C-N 3.31Å; N172-Y174 PolarHBondContact O-N 2.81Å; N172-N175 PolarHBondContact O-N 2.82Å; N172-A176 WeakPolarHBondContact O-CB 3.32Å; N172-A176 PolarHBondContact O-N 3.2Å
173	V	97.7	Very high	95.5	Very high	0 Å²	0	48 Å²	48	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-64	-39.7	173.9	-178.7	0	0	0	0	110.4	M112 F140 C169 H170 A176 V177 I186 Y199 M202	M112-V173 HydrophobicContact CE-CG1 4.45Å; F140-V173 HydrophobicContact CB-CG2 3.64Å; F140-V173 HydrophobicContact CD1-CG2 4.36Å; F140-V173 HydrophobicContact CD2-CB 4.49Å; F140-V173 HydrophobicContact CD2-CG2 3.64Å; F140-V173 HydrophobicContact CE2-CG2 4.4Å; F140-V173 HydrophobicContact CG-CG2 3.61Å; C169-V173 VanDerWaalsContact O-CG2 3.31Å; C169-V173 WeakPolarHBondContact O-CG2 3.22Å; C169-V173 PolarHBondContact O-N 3.34Å; H170-V173 PolarHBondContact O-N 3.15Å; V173-A176 WeakPolarHBondContact O-CB 3.4Å; V173-A176 PolarHBondContact O-N 2.92Å; V173-A176 VanDerWaalsContact O-N 3.12Å; V173-V177 HydrophobicContact CG1-CG1 4.26Å; V173-V177 WeakPolarHBondContact O-CG2 3.32Å; V173-V177 PolarHBondContact O-N 2.93Å; V173-I186 HydrophobicContact CB-CD1 4.44Å; V173-I186 HydrophobicContact CG1-CD1 3.92Å; V173-I186 HydrophobicContact CG2-CD1 3.53Å; V173-Y199 HydrophobicContact CG1-CD1 4.21Å; V173-Y199 HydrophobicContact CG2-CD1 4.35Å; V173-Y199 HydrophobicContact CG2-CE1 4Å; V173-M202 HydrophobicContact CB-CE 4.28Å; V173-M202 HydrophobicContact CB-SD 4.29Å; V173-M202 HydrophobicContact CG1-CE 3.89Å; V173-M202 HydrophobicContact CG1-SD 3.71Å
174	Y	97.7	Very high	95.6	Very high	89 Å²	89	43.5 Å²	43.5	35%	0.349	22%	0.215	S	C	.	.	H	α-helix	trans	-57.4	-49.8	175.3	-175.5	-98.1	0	0	0	112.5	H170 N171 N172 A176 V177 C178 M202 F206	H170-Y174 WeakPolarHBondContact O-CB 3.43Å; H170-Y174 PolarHBondContact O-N 3Å; N171-Y174 WeakPolarHBondContact O-CB 3.47Å; N171-Y174 PolarHBondContact O-N 2.67Å; N172-Y174 VanDerWaalsContact C-N 3.31Å; N172-Y174 PolarHBondContact O-N 2.81Å; Y174-A176 PolarHBondContact O-N 3.48Å; Y174-V177 VanDerWaalsContact O-CG2 3.27Å; Y174-V177 WeakPolarHBondContact O-CG2 3.44Å; Y174-V177 PolarHBondContact O-N 3.04Å; Y174-C178 VanDerWaalsContact CE1-SG 3.58Å; Y174-C178 VanDerWaalsContact CZ-SG 3.52Å; Y174-C178 VanDerWaalsContact O-CB 3.31Å; Y174-C178 WeakPolarHBondContact O-CB 3.27Å; Y174-C178 PolarHBondContact O-N 2.93Å; Y174-C178 PolarHBondContact O-SG 3.23Å; Y174-M202 HydrophobicContact CD2-CE 3.95Å; Y174-M202 HydrophobicContact CG-CE 4.29Å; Y174-F206 HydrophobicContact CE2-CE2 4.29Å; Y174-F206 HydrophobicContact CE2-CZ 4.14Å
175	N	97.1	Very high	95.6	Very high	93 Å²	93	39.3 Å²	39.3	50%	0.497	20%	0.195	S	C	.	.	H	α-helix	trans	-59.7	-38.2	176	-66.3	-26.3	0	0	0	111.3	N171 N172 S179	N171-N175 VanDerWaalsContact O-CG 3.24Å; N171-N175 PolarHBondContact O-N 3.25Å; N171-N175 PolarHBondContact O-ND2 3.43Å; N172-N175 PolarHBondContact O-N 2.82Å; N175-S179 WeakPolarHBondContact O-CB 3.49Å; N175-S179 PolarHBondContact O-N 3.09Å; N175-S179 PolarHBondContact O-OG 3.41Å
176	A	96.1	Very high	95.7	Very high	4 Å²	4	39.3 Å²	39.3	3%	0.033	20%	0.195	C	C	.	.	H	α-helix	trans	-70.2	-44.2	-179.3	0	0	0	0	0	113.5	F140 N172 V173 Y174 S179 G180 Y181 I184	F140-A176 HydrophobicContact CE2-CB 3.57Å; F140-A176 HydrophobicContact CZ-CB 3.45Å; F140-A176 VanDerWaalsContact CZ-CB 3.45Å; N172-A176 WeakPolarHBondContact O-CB 3.32Å; N172-A176 PolarHBondContact O-N 3.2Å; V173-A176 WeakPolarHBondContact O-CB 3.4Å; V173-A176 PolarHBondContact O-N 2.92Å; V173-A176 VanDerWaalsContact O-N 3.12Å; Y174-A176 PolarHBondContact O-N 3.48Å; A176-S179 PolarHBondContact O-N 2.92Å; A176-G180 PolarHBondContact O-N 3.3Å; A176-G180 VanDerWaalsContact O-N 3.15Å; A176-Y181 HydrophobicContact CB-CD2 4.14Å; A176-Y181 PolarHBondContact O-N 3.5Å; A176-I184 HydrophobicContact CB-CD1 3.91Å; A176-I184 HydrophobicContact CB-CG1 4.49Å
177	V	95	Very high	95.8	Very high	1 Å²	1	36.5 Å²	36.5	1%	0.006	18%	0.183	C	C	.	.	H	α-helix	trans	-68	-38.1	177.6	-61.1	0	0	0	0	111.6	M112 V173 Y174 S179 G180 I184 M202 F206 Y208	M112-V177 HydrophobicContact CE-CG1 3.79Å; V173-V177 HydrophobicContact CG1-CG1 4.26Å; V173-V177 WeakPolarHBondContact O-CG2 3.32Å; V173-V177 PolarHBondContact O-N 2.93Å; Y174-V177 VanDerWaalsContact O-CG2 3.27Å; Y174-V177 WeakPolarHBondContact O-CG2 3.44Å; Y174-V177 PolarHBondContact O-N 3.04Å; V177-S179 VanDerWaalsContact C-N 3.27Å; V177-S179 PolarHBondContact O-N 3.39Å; V177-G180 PolarHBondContact O-N 3.22Å; V177-I184 HydrophobicContact CB-CD1 4.43Å; V177-I184 HydrophobicContact CG1-CD1 3.55Å; V177-M202 HydrophobicContact CG1-CE 4.3Å; V177-M202 HydrophobicContact CG2-CE 3.41Å; V177-M202 VanDerWaalsContact CG2-CE 3.41Å; V177-F206 HydrophobicContact CB-CB 4.19Å; V177-F206 HydrophobicContact CB-CD2 4Å; V177-F206 HydrophobicContact CB-CG 4.01Å; V177-F206 HydrophobicContact CG2-CD1 4.43Å; V177-F206 HydrophobicContact CG2-CD2 3.49Å; V177-F206 VanDerWaalsContact CG2-CD2 3.49Å; V177-F206 HydrophobicContact CG2-CE2 3.59Å; V177-F206 HydrophobicContact CG2-CG 3.94Å; V177-F206 HydrophobicContact CG2-CZ 4.12Å; V177-Y208 HydrophobicContact CB-CE2 3.95Å; V177-Y208 HydrophobicContact CG1-CD2 4.47Å; V177-Y208 HydrophobicContact CG1-CE2 4.02Å
178	C	93.7	Very high	95.8	Very high	64 Å²	64	31.6 Å²	31.6	43%	0.432	16%	0.16	S	C	.	.	H	α-helix	trans	-60.8	-36.9	173.4	-74.3	0	0	0	0	112	Y174 G180 F206	Y174-C178 VanDerWaalsContact CE1-SG 3.58Å; Y174-C178 VanDerWaalsContact CZ-SG 3.52Å; Y174-C178 VanDerWaalsContact O-CB 3.31Å; Y174-C178 WeakPolarHBondContact O-CB 3.27Å; Y174-C178 PolarHBondContact O-N 2.93Å; Y174-C178 PolarHBondContact O-SG 3.23Å; C178-G180 VanDerWaalsContact C-N 3.27Å; C178-G180 PolarHBondContact O-N 3.49Å; C178-F206 VanDerWaalsContact SG-CZ 3.54Å
179	S	92.6	Very high	95.7	Very high	62 Å²	62	29.5 Å²	29.5	43%	0.434	16%	0.155	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.6	-8.4	176.4	-54.9	0	0	0	0	113.5	N175 A176 V177 Y181 S263	N175-S179 WeakPolarHBondContact O-CB 3.49Å; N175-S179 PolarHBondContact O-N 3.09Å; N175-S179 PolarHBondContact O-OG 3.41Å; A176-S179 PolarHBondContact O-N 2.92Å; V177-S179 VanDerWaalsContact C-N 3.27Å; V177-S179 PolarHBondContact O-N 3.39Å; S179-Y181 VanDerWaalsContact CB-CE2 3.48Å; S179-S263 PolarHBondContact O-OG 2.78Å
180	G	89.9	Confident	95.6	Very high	2 Å²	2	29.6 Å²	29.6	2%	0.021	16%	0.156	C	C	.	.	T	Hydrogen-bonded Turn	trans	72.9	21.9	179.6	0	0	0	0	0	115.3	A176 V177 C178 Y208 S263	A176-G180 PolarHBondContact O-N 3.3Å; A176-G180 VanDerWaalsContact O-N 3.15Å; V177-G180 PolarHBondContact O-N 3.22Å; C178-G180 VanDerWaalsContact C-N 3.27Å; C178-G180 PolarHBondContact O-N 3.49Å; G180-Y208 VanDerWaalsContact C-OH 3.3Å; G180-Y208 WeakPolarHBondContact CA-OH 3.47Å; G180-S263 PolarHBondContact O-OG 3.07Å
181	Y	92.9	Very high	95.5	Very high	89 Å²	89	27.7 Å²	27.7	35%	0.349	15%	0.148	S	C	.	.			trans	-62	143.4	178.4	-75.7	-70.2	0	0	0	112.1	K138 A176 S179 I184 Y208	K138-Y181 HydrophobicContact CG-CD1 4.06Å; K138-Y181 HydrophobicContact CG-CD2 4.26Å; K138-Y181 HydrophobicContact CG-CG 3.81Å; A176-Y181 HydrophobicContact CB-CD2 4.14Å; A176-Y181 PolarHBondContact O-N 3.5Å; S179-Y181 VanDerWaalsContact CB-CE2 3.48Å; Y181-I184 WeakPolarHBondContact O-CG1 3.39Å; Y181-Y208 PolarHBondContact N-OH 3.47Å; Y181-Y208 WeakPolarHBondContact O-CE1 3.33Å; Y181-Y208 PolarHBondContact O-OH 2.94Å
182	S	90.8	Very high	95.3	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	14%	0.14	C	C	.	.	S	Bend	trans	-152.4	147.7	173.8	-156.2	0	0	0	0	112.4	S109 F111 Y266	S109-S182 WeakPolarHBondContact O-CB 3.49Å; S109-S182 PolarHBondContact O-OG 2.66Å; F111-S182 PolarHBondContact N-OG 2.82Å; F111-S182 PolarHBondContact O-OG 3.32Å; S182-Y266 WeakPolarHBondContact O-CE2 3.45Å; S182-Y266 VanDerWaalsContact O-CZ 3.24Å; S182-Y266 PolarHBondContact O-OH 2.71Å
183	P	94.4	Very high	95.1	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	15%	0.148	C	C	.	.	S	Bend	cis	-68.7	149.7	-13.5	29	-31.9	0	0	0	112.1	I106 F111 F113 F134 A137 K138	I106-P183 HydrophobicContact CG2-CB 3.87Å; I106-P183 HydrophobicContact CG2-CG 3.87Å; F111-P183 HydrophobicContact CB-CB 4.34Å; F111-P183 WeakPolarHBondContact O-CA 3.49Å; F113-P183 HydrophobicContact CD2-CB 3.81Å; F113-P183 HydrophobicContact CE2-CB 3.52Å; F113-P183 HydrophobicContact CE2-CG 4.15Å; F134-P183 HydrophobicContact CB-CG 3.92Å; F134-P183 HydrophobicContact CD2-CG 4.17Å; F134-P183 HydrophobicContact CG-CG 4.04Å; A137-P183 VanDerWaalsContact CA-O 3.3Å; A137-P183 WeakPolarHBondContact CA-O 3.32Å; A137-P183 HydrophobicContact CB-CG 3.8Å; K138-P183 PolarHBondContact N-O 2.72Å
184	I	96.9	Very high	94.9	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98	136.2	166	-68.5	173.1	0	0	0	107.9	F111 M112 F113 K138 F140 A176 V177 Y181 I186 Y208	F111-I184 PolarHBondContact O-N 2.93Å; M112-I184 CarbonylContact C-O 3.52Å; M112-I184 VanDerWaalsContact CA-O 3.29Å; M112-I184 WeakPolarHBondContact CA-O 3.34Å; M112-I184 HydrophobicContact CE-CG2 4.4Å; M112-I184 HydrophobicContact CG-CB 4.41Å; M112-I184 HydrophobicContact CG-CG2 4.32Å; F113-I184 PolarHBondContact N-O 3.37Å; K138-I184 CarbonylContact O-C 3.45Å; K138-I184 WeakPolarHBondContact O-CA 3.36Å; F140-I184 HydrophobicContact CD2-CG2 3.88Å; F140-I184 HydrophobicContact CE2-CG2 3.96Å; A176-I184 HydrophobicContact CB-CD1 3.91Å; A176-I184 HydrophobicContact CB-CG1 4.49Å; V177-I184 HydrophobicContact CB-CD1 4.43Å; V177-I184 HydrophobicContact CG1-CD1 3.55Å; Y181-I184 WeakPolarHBondContact O-CG1 3.39Å; I184-I186 HydrophobicContact CG2-CD1 3.76Å; I184-Y208 HydrophobicContact CD1-CE1 3.69Å; I184-Y208 HydrophobicContact CG1-CE1 4.17Å
185	V	97.8	Very high	94.8	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	124	178.2	-172.8	0	0	0	0	108.9	F113 L115 I130 K138 I139 F140	F113-V185 HydrophobicContact CB-CG1 4.29Å; F113-V185 HydrophobicContact CB-CG2 4.36Å; F113-V185 HydrophobicContact CD2-CG2 4.14Å; F113-V185 CarbonylContact O-C 3.46Å; F113-V185 WeakPolarHBondContact O-CA 3.46Å; L115-V185 HydrophobicContact CD1-CG1 4Å; L115-V185 HydrophobicContact CD2-CG1 4.38Å; L115-V185 HydrophobicContact CG-CG1 4.01Å; I130-V185 HydrophobicContact CB-CG2 4.35Å; I130-V185 HydrophobicContact CD1-CG1 4.27Å; I130-V185 HydrophobicContact CD1-CG2 4.35Å; I130-V185 HydrophobicContact CG2-CG2 3.59Å; K138-V185 PolarHBondContact O-N 2.94Å; I139-V185 CarbonylContact C-O 3.59Å; I139-V185 WeakPolarHBondContact CA-O 3.15Å; I139-V185 HydrophobicContact CB-CB 4.45Å; I139-V185 HydrophobicContact CG1-CB 4.02Å; I139-V185 HydrophobicContact CG1-CG2 4.22Å; I139-V185 HydrophobicContact CG2-CB 4.42Å; F140-V185 PolarHBondContact N-O 2.69Å
186	I	98.1	Very high	94.7	Very high	0 Å²	0	28.9 Å²	28.9	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	100.8	175.1	-49	-54.3	0	0	0	108.1	M112 F113 I114 L115 F140 V173 I184 N188 Y199	M112-I186 HydrophobicContact CG-CG1 4.31Å; M112-I186 HydrophobicContact SD-CG1 4.28Å; F113-I186 PolarHBondContact O-N 2.92Å; I114-I186 HydrophobicContact CG1-CB 4.5Å; I114-I186 HydrophobicContact CG1-CG1 4.25Å; L115-I186 WeakPolarHBondContact CB-O 3.41Å; L115-I186 PolarHBondContact N-O 3.17Å; F140-I186 HydrophobicContact CB-CD1 4.35Å; F140-I186 HydrophobicContact CD2-CD1 4.33Å; V173-I186 HydrophobicContact CB-CD1 4.44Å; V173-I186 HydrophobicContact CG1-CD1 3.92Å; V173-I186 HydrophobicContact CG2-CD1 3.53Å; I184-I186 HydrophobicContact CG2-CD1 3.76Å; I186-N188 VanDerWaalsContact C-N 3.27Å; I186-N188 HydrophobicContact CG2-CB 4.19Å; I186-N188 PolarHBondContact O-N 2.98Å; I186-Y199 HydrophobicContact CD1-CD1 3.79Å; I186-Y199 HydrophobicContact CD1-CE1 4.05Å; I186-Y199 HydrophobicContact CD1-CG 4.46Å; I186-Y199 HydrophobicContact CG1-CD1 3.83Å; I186-Y199 HydrophobicContact CG1-CE1 4.32Å; I186-Y199 HydrophobicContact CG1-CG 3.99Å; I186-Y199 HydrophobicContact CG2-CD1 3.95Å; I186-Y199 HydrophobicContact CG2-CD2 3.79Å; I186-Y199 HydrophobicContact CG2-CE1 3.75Å; I186-Y199 HydrophobicContact CG2-CE2 3.61Å; I186-Y199 HydrophobicContact CG2-CG 3.97Å
187	D	97.2	Very high	94.6	Very high	7 Å²	7	36 Å²	36	4%	0.037	17%	0.172	C	C	.	.			trans	-92.3	50.8	-178.8	-169.9	16.9	0	0	0	111.7	L115 K123 S124 S127 I139 F140 S141	L115-D187 HydrophobicContact CD1-CB 4.13Å; K123-D187 WeakPolarHBondContact CB-OD1 3.4Å; S124-D187 WeakPolarHBondContact CA-OD2 3.08Å; S124-D187 VanDerWaalsContact CB-OD2 3.28Å; S124-D187 WeakPolarHBondContact CB-OD2 3.36Å; S124-D187 PolarHBondContact N-OD1 2.76Å; S124-D187 PolarHBondContact OG-OD1 2.9Å; S124-D187 PolarHBondContact OG-OD2 2.88Å; S127-D187 PolarHBondContact OG-OD2 3.03Å; I139-D187 HydrophobicContact CG2-CB 4.13Å; F140-D187 PolarHBondContact O-N 2.97Å; S141-D187 PolarHBondContact OG-O 3.5Å
188	N	96.2	Very high	94.6	Very high	12 Å²	12	39.2 Å²	39.2	6%	0.064	18%	0.184	C	C	.	.	S	Bend	trans	-105.2	170.5	174.4	-76.7	-37.2	0	0	0	111	L115 K123 S141 A142 I186 Y199	L115-N188 VanDerWaalsContact O-O 3.07Å; K123-N188 WeakPolarHBondContact CD-O 3.45Å; K123-N188 WeakPolarHBondContact CE-O 3.16Å; S141-N188 PolarHBondContact OG-OD1 3.47Å; A142-N188 PolarHBondContact N-OD1 2.68Å; I186-N188 VanDerWaalsContact C-N 3.27Å; I186-N188 HydrophobicContact CG2-CB 4.19Å; I186-N188 PolarHBondContact O-N 2.98Å; N188-Y199 PolarHBondContact ND2-OH 3.06Å
189	T	95.1	Very high	94.8	Very high	31 Å²	31	36.2 Å²	36.2	19%	0.19	16%	0.164	C	C	.	.			trans	-68	-39.9	-177.5	64	0	0	0	0	113.5	R116 G117 P119 T191 E195 K242	R116-T189 CarbonylContact C-O 3.56Å; R116-T189 WeakPolarHBondContact CA-O 3.23Å; G117-T189 PolarHBondContact N-O 3.47Å; G117-T189 WeakPolarHBondContact O-CA 3.4Å; G117-T189 WeakPolarHBondContact O-CB 3.22Å; P119-T189 HydrophobicContact CG-CG2 4.33Å; T189-T191 PolarHBondContact O-N 2.91Å; T189-E195 PolarHBondContact OG1-OE2 3.4Å; T189-K242 PolarHBondContact OG1-NZ 2.97Å
190	N	95.7	Very high	94.9	Very high	3 Å²	3	34 Å²	34	2%	0.016	15%	0.148	C	C	.	.			trans	44.1	36.5	175	-60.3	-44.5	0	0	0	113.7	I114 L115 R116 R192 E195 A196	I114-N190 HydrophobicContact CG2-CB 4.22Å; I114-N190 WeakPolarHBondContact CG2-ND2 3.28Å; L115-N190 WeakPolarHBondContact O-CB 3.42Å; L115-N190 PolarHBondContact O-ND2 3.26Å; R116-N190 HydrophobicContact CG-CB 3.91Å; R116-N190 PolarHBondContact NE-O 2.91Å; R116-N190 PolarHBondContact NH2-O 3.3Å; N190-R192 VanDerWaalsContact C-N 3.3Å; N190-E195 VanDerWaalsContact C-OE2 3.31Å; N190-E195 VanDerWaalsContact CA-OE2 3.29Å; N190-E195 WeakPolarHBondContact CA-OE2 3.33Å; N190-E195 PolarHBondContact N-OE2 3.37Å; N190-E195 PolarHBondContact OD1-O 2.7Å; N190-A196 HydrophobicContact CB-CB 4.25Å
191	T	94.6	Very high	95	Very high	3 Å²	3	38 Å²	38	2%	0.018	17%	0.166	C	C	.	.			trans	-70.1	-29.1	-178.5	55.3	0	0	0	0	111.6	R116 T189 E195 K242 F246 E247	R116-T191 PolarHBondContact NH2-O 3.26Å; T189-T191 PolarHBondContact O-N 2.91Å; T191-E195 PolarHBondContact N-OE2 3.2Å; T191-E195 PolarHBondContact OG1-OE1 2.79Å; T191-E195 PolarHBondContact OG1-OE2 3.14Å; T191-K242 HydrophobicContact CG2-CB 4.33Å; T191-F246 HydrophobicContact CG2-CD2 4Å; T191-F246 HydrophobicContact CG2-CE2 4.39Å; T191-E247 PolarHBondContact O-N 2.86Å
192	R	94.9	Very high	95.1	Very high	70 Å²	70	34.2 Å²	34.2	26%	0.264	15%	0.152	S	C	.	.	S	Bend	trans	-111.5	152.5	175.7	-55.2	-65	-71	-160.6	-6	111.2	N190 W194 E195 A196 N245 E247	N190-R192 VanDerWaalsContact C-N 3.3Å; R192-W194 VanDerWaalsContact C-N 3.27Å; R192-W194 VanDerWaalsContact CB-CD1 3.46Å; R192-W194 HydrophobicContact CB-CD2 4.4Å; R192-W194 HydrophobicContact CB-CG 4.14Å; R192-W194 VanDerWaalsContact CB-NE1 3.28Å; R192-W194 PolarHBondContact O-N 3.25Å; R192-E195 HydrophobicContact CB-CG 4.18Å; R192-E195 PolarHBondContact N-OE2 3.18Å; R192-E195 WeakPolarHBondContact O-CB 3.31Å; R192-E195 PolarHBondContact O-N 3.26Å; R192-E195 VanDerWaalsContact O-N 3.13Å; R192-A196 PolarHBondContact O-N 3.23Å; R192-N245 WeakPolarHBondContact CD-O 3.34Å; R192-N245 PolarHBondContact NH1-O 2.97Å; R192-E247 IonicContact CZ-OE1 3.86Å; R192-E247 IonicContact NE-OE1 3.65Å; R192-E247 PolarHBondContact NE-OE1 2.81Å; R192-E247 IonicContact NE-OE2 3.59Å; R192-E247 IonicContact NH1-OE1 3.12Å; R192-E247 IonicContact NH2-OE1 3.75Å; R192-E247 PolarHBondContact NH2-OE1 3.42Å
193	S	92.2	Very high	95.1	Very high	56 Å²	56	34.2 Å²	34.2	39%	0.392	15%	0.152	S	C	.	.	H	α-helix	trans	-55.4	-40.6	175.1	51.6	0	0	0	0	112.9	E195 A196 R197 E247	S193-E195 VanDerWaalsContact C-N 3.33Å; S193-E195 PolarHBondContact O-N 2.88Å; S193-A196 PolarHBondContact O-N 2.87Å; S193-R197 PolarHBondContact O-N 2.86Å; S193-R197 VanDerWaalsContact O-N 3.12Å; S193-E247 VanDerWaalsContact CB-OE2 3.31Å; S193-E247 WeakPolarHBondContact CB-OE2 3.41Å; S193-E247 PolarHBondContact N-OE2 3.29Å; S193-E247 PolarHBondContact OG-OE2 2.85Å
194	W	94.1	Very high	94.8	Very high	167 Å²	167	41.9 Å²	41.9	63%	0.633	18%	0.181	S	C	*	.	H	α-helix	trans	-67.1	-30.2	178.4	67.4	-101	0	0	0	113.2	R192 A196 R197	R192-W194 VanDerWaalsContact C-N 3.27Å; R192-W194 VanDerWaalsContact CB-CD1 3.46Å; R192-W194 HydrophobicContact CB-CD2 4.4Å; R192-W194 HydrophobicContact CB-CG 4.14Å; R192-W194 VanDerWaalsContact CB-NE1 3.28Å; R192-W194 PolarHBondContact O-N 3.25Å; W194-A196 VanDerWaalsContact C-N 3.34Å; W194-R197 WeakPolarHBondContact O-CB 3.33Å; W194-R197 PolarHBondContact O-N 3.08Å
195	E	95	Very high	94.4	Very high	35 Å²	35	49.5 Å²	49.5	16%	0.164	21%	0.209	C	C	.	.	H	α-helix	trans	-67.4	-36.1	176.4	-68.7	177.2	168.8	0	0	111	T189 N190 T191 R192 S193 K242	T189-E195 PolarHBondContact OG1-OE2 3.4Å; N190-E195 VanDerWaalsContact C-OE2 3.31Å; N190-E195 VanDerWaalsContact CA-OE2 3.29Å; N190-E195 WeakPolarHBondContact CA-OE2 3.33Å; N190-E195 PolarHBondContact N-OE2 3.37Å; N190-E195 PolarHBondContact OD1-O 2.7Å; T191-E195 PolarHBondContact N-OE2 3.2Å; T191-E195 PolarHBondContact OG1-OE1 2.79Å; T191-E195 PolarHBondContact OG1-OE2 3.14Å; R192-E195 HydrophobicContact CB-CG 4.18Å; R192-E195 PolarHBondContact N-OE2 3.18Å; R192-E195 WeakPolarHBondContact O-CB 3.31Å; R192-E195 PolarHBondContact O-N 3.26Å; R192-E195 VanDerWaalsContact O-N 3.13Å; S193-E195 VanDerWaalsContact C-N 3.33Å; S193-E195 PolarHBondContact O-N 2.88Å; E195-K242 IonicContact OE1-NZ 3.65Å
196	A	95.1	Very high	94	Very high	1 Å²	1	51.2 Å²	51.2	1%	0.008	22%	0.217	C	C	.	.	H	α-helix	trans	-84.7	-15.7	179.7	0	0	0	0	0	113.9	I114 N190 R192 S193 W194 Y198 Y199 T200 M212 I249	I114-A196 HydrophobicContact CG2-CB 4.41Å; N190-A196 HydrophobicContact CB-CB 4.25Å; R192-A196 PolarHBondContact O-N 3.23Å; S193-A196 PolarHBondContact O-N 2.87Å; W194-A196 VanDerWaalsContact C-N 3.34Å; A196-Y198 PolarHBondContact O-N 3.2Å; A196-Y199 PolarHBondContact O-N 2.87Å; A196-T200 PolarHBondContact O-N 3.44Å; A196-T200 VanDerWaalsContact O-N 3.09Å; A196-T200 PolarHBondContact O-OG1 3.06Å; A196-M212 HydrophobicContact CB-CE 4.32Å; A196-I249 HydrophobicContact CB-CD1 3.63Å
197	R	94.6	Very high	93.4	Very high	153 Å²	153	54 Å²	54	58%	0.577	23%	0.23	S	C	*	.	H	α-helix	trans	-58	-45.3	-166.3	-179.6	175.9	175.6	174.6	-2.2	113.3	S193 W194 Y199 T200 E201	S193-R197 PolarHBondContact O-N 2.86Å; S193-R197 VanDerWaalsContact O-N 3.12Å; W194-R197 WeakPolarHBondContact O-CB 3.33Å; W194-R197 PolarHBondContact O-N 3.08Å; R197-Y199 VanDerWaalsContact C-N 3.33Å; R197-Y199 PolarHBondContact O-N 2.84Å; R197-T200 WeakPolarHBondContact CA-OG1 3.16Å; R197-T200 PolarHBondContact O-N 2.94Å; R197-T200 PolarHBondContact O-OG1 3.29Å; R197-E201 HydrophobicContact CG-CG 4.31Å; R197-E201 IonicContact CZ-OE1 3.48Å; R197-E201 IonicContact NE-OE1 2.76Å; R197-E201 PolarHBondContact NE-OE1 3.06Å; R197-E201 IonicContact NH2-OE1 3.3Å; R197-E201 PolarHBondContact NH2-OE1 3.11Å; R197-E201 VanDerWaalsContact NH2-OE1 3.09Å; R197-E201 WeakPolarHBondContact O-CB 3.42Å; R197-E201 WeakPolarHBondContact O-CG 3.14Å; R197-E201 PolarHBondContact O-N 3.19Å
198	Y	95.5	Very high	93.1	Very high	68 Å²	68	54.3 Å²	54.3	27%	0.267	23%	0.23	S	C	.	.	H	α-helix	trans	-56.1	-50.4	179.4	-179.6	-96.5	0	0	0	110.5	H170 A196 T200 E201 M202	H170-Y198 HydrophobicContact CB-CD1 3.97Å; H170-Y198 HydrophobicContact CB-CE1 3.34Å; H170-Y198 HydrophobicContact CB-CE2 4.17Å; H170-Y198 VanDerWaalsContact CB-CZ 3.49Å; H170-Y198 AromaticContact CD2-CD1 3.31Å; H170-Y198 WeakPolarHBondContact CD2-CD1 3.42Å; H170-Y198 AromaticContact CD2-CE1 3.65Å; H170-Y198 AromaticContact CD2-CG 3.86Å; H170-Y198 AromaticContact CE1-CG 3.88Å; H170-Y198 AromaticContact CG-CD1 3.48Å; H170-Y198 VanDerWaalsContact CG-CD1 3.48Å; H170-Y198 AromaticContact CG-CE1 3.43Å; H170-Y198 VanDerWaalsContact CG-CE1 3.43Å; H170-Y198 AromaticContact CG-CG 3.87Å; H170-Y198 AromaticContact CG-CZ 3.82Å; H170-Y198 AromaticContact ND1-CD1 3.99Å; H170-Y198 AromaticContact ND1-CD2 3.98Å; H170-Y198 AromaticContact ND1-CG 3.89Å; H170-Y198 AromaticContact NE2-CD1 3.76Å; H170-Y198 AromaticContact NE2-CG 3.86Å; H170-Y198 PolarHBondContact O-OH 3.42Å; A196-Y198 PolarHBondContact O-N 3.2Å; Y198-T200 PolarHBondContact O-N 3.44Å; Y198-E201 PolarHBondContact O-N 3.02Å; Y198-M202 HydrophobicContact CD1-CG 4.29Å; Y198-M202 HydrophobicContact CD1-SD 3.55Å; Y198-M202 VanDerWaalsContact CD1-SD 3.55Å; Y198-M202 HydrophobicContact CE1-CE 3.99Å; Y198-M202 HydrophobicContact CE1-CG 4.02Å; Y198-M202 HydrophobicContact CE1-SD 3.05Å; Y198-M202 WeakPolarHBondContact CE1-SD 3.43Å; Y198-M202 HydrophobicContact CG-SD 4.49Å; Y198-M202 VanDerWaalsContact O-CG 3.25Å; Y198-M202 WeakPolarHBondContact O-CG 3.23Å; Y198-M202 PolarHBondContact O-N 2.98Å
199	Y	96.7	Very high	92.5	Very high	1 Å²	1	54.4 Å²	54.4	0%	0.004	23%	0.23	C	C	.	.	H	α-helix	trans	-63.8	-41.2	-179.6	-49.9	-64.3	0	0	0	112.8	H170 V173 I186 N188 A196 R197 M202 A203	H170-Y199 AromaticContact CD2-CE1 3.89Å; H170-Y199 AromaticContact CD2-CZ 3.8Å; H170-Y199 PolarHBondContact CD2-OH 3Å; H170-Y199 AromaticContact NE2-CZ 3.89Å; H170-Y199 PolarHBondContact NE2-OH 3.36Å; V173-Y199 HydrophobicContact CG1-CD1 4.21Å; V173-Y199 HydrophobicContact CG2-CD1 4.35Å; V173-Y199 HydrophobicContact CG2-CE1 4Å; I186-Y199 HydrophobicContact CD1-CD1 3.79Å; I186-Y199 HydrophobicContact CD1-CE1 4.05Å; I186-Y199 HydrophobicContact CD1-CG 4.46Å; I186-Y199 HydrophobicContact CG1-CD1 3.83Å; I186-Y199 HydrophobicContact CG1-CE1 4.32Å; I186-Y199 HydrophobicContact CG1-CG 3.99Å; I186-Y199 HydrophobicContact CG2-CD1 3.95Å; I186-Y199 HydrophobicContact CG2-CD2 3.79Å; I186-Y199 HydrophobicContact CG2-CE1 3.75Å; I186-Y199 HydrophobicContact CG2-CE2 3.61Å; I186-Y199 HydrophobicContact CG2-CG 3.97Å; N188-Y199 PolarHBondContact ND2-OH 3.06Å; A196-Y199 PolarHBondContact O-N 2.87Å; R197-Y199 VanDerWaalsContact C-N 3.33Å; R197-Y199 PolarHBondContact O-N 2.84Å; Y199-M202 PolarHBondContact O-N 3.25Å; Y199-A203 WeakPolarHBondContact O-CB 3.44Å; Y199-A203 PolarHBondContact O-N 3.31Å
200	T	94.5	Very high	92.3	Very high	16 Å²	16	53.3 Å²	53.3	10%	0.098	22%	0.223	C	C	.	.	H	α-helix	trans	-66.5	-38.7	176.9	51.4	0	0	0	0	112.3	I114 A196 R197 Y198 A203 R204 M212 Y564	I114-T200 HydrophobicContact CD1-CG2 3.77Å; A196-T200 PolarHBondContact O-N 3.44Å; A196-T200 VanDerWaalsContact O-N 3.09Å; A196-T200 PolarHBondContact O-OG1 3.06Å; R197-T200 WeakPolarHBondContact CA-OG1 3.16Å; R197-T200 PolarHBondContact O-N 2.94Å; R197-T200 PolarHBondContact O-OG1 3.29Å; Y198-T200 PolarHBondContact O-N 3.44Å; T200-A203 PolarHBondContact O-N 3.06Å; T200-R204 WeakPolarHBondContact O-CB 3.46Å; T200-R204 PolarHBondContact O-N 2.66Å; T200-M212 HydrophobicContact CG2-CE 3.39Å; T200-Y564 HydrophobicContact CG2-CG 4.22Å
201	E	93.4	Very high	91.9	Very high	85 Å²	85	53.4 Å²	53.4	40%	0.397	22%	0.224	S	C	.	.	H	α-helix	trans	-66.4	-39.3	176.9	-75	179.5	176.8	0	0	111.7	R197 Y198 R205	R197-E201 HydrophobicContact CG-CG 4.31Å; R197-E201 IonicContact CZ-OE1 3.48Å; R197-E201 IonicContact NE-OE1 2.76Å; R197-E201 PolarHBondContact NE-OE1 3.06Å; R197-E201 IonicContact NH2-OE1 3.3Å; R197-E201 PolarHBondContact NH2-OE1 3.11Å; R197-E201 VanDerWaalsContact NH2-OE1 3.09Å; R197-E201 WeakPolarHBondContact O-CB 3.42Å; R197-E201 WeakPolarHBondContact O-CG 3.14Å; R197-E201 PolarHBondContact O-N 3.19Å; Y198-E201 PolarHBondContact O-N 3.02Å; E201-R205 WeakPolarHBondContact O-CB 3.46Å; E201-R205 PolarHBondContact O-N 3.36Å
202	M	93.8	Very high	91.8	Very high	11 Å²	11	54.3 Å²	54.3	5%	0.054	23%	0.228	C	C	.	.	H	α-helix	trans	-63.7	-47.6	171.8	-64.7	176.3	90.9	0	0	111.8	V173 Y174 V177 Y198 Y199 R204 R205 F206	V173-M202 HydrophobicContact CB-CE 4.28Å; V173-M202 HydrophobicContact CB-SD 4.29Å; V173-M202 HydrophobicContact CG1-CE 3.89Å; V173-M202 HydrophobicContact CG1-SD 3.71Å; Y174-M202 HydrophobicContact CD2-CE 3.95Å; Y174-M202 HydrophobicContact CG-CE 4.29Å; V177-M202 HydrophobicContact CG1-CE 4.3Å; V177-M202 HydrophobicContact CG2-CE 3.41Å; V177-M202 VanDerWaalsContact CG2-CE 3.41Å; Y198-M202 HydrophobicContact CD1-CG 4.29Å; Y198-M202 HydrophobicContact CD1-SD 3.55Å; Y198-M202 VanDerWaalsContact CD1-SD 3.55Å; Y198-M202 HydrophobicContact CE1-CE 3.99Å; Y198-M202 HydrophobicContact CE1-CG 4.02Å; Y198-M202 HydrophobicContact CE1-SD 3.05Å; Y198-M202 WeakPolarHBondContact CE1-SD 3.43Å; Y198-M202 HydrophobicContact CG-SD 4.49Å; Y198-M202 VanDerWaalsContact O-CG 3.25Å; Y198-M202 WeakPolarHBondContact O-CG 3.23Å; Y198-M202 PolarHBondContact O-N 2.98Å; Y199-M202 PolarHBondContact O-N 3.25Å; M202-R204 VanDerWaalsContact C-N 3.27Å; M202-R204 PolarHBondContact O-N 3.12Å; M202-R205 PolarHBondContact O-N 3.21Å; M202-R205 VanDerWaalsContact O-N 3.1Å; M202-F206 WeakPolarHBondContact O-CD2 3.45Å; M202-F206 PolarHBondContact O-N 3.21Å
203	A	92.2	Very high	91.6	Very high	0 Å²	0	51.1 Å²	51.1	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-57.2	-44.9	179.7	0	0	0	0	0	110.9	M112 Y199 T200 F206 H207 Y208 V210	M112-A203 HydrophobicContact CE-CB 4.1Å; M112-A203 HydrophobicContact SD-CB 3.98Å; Y199-A203 WeakPolarHBondContact O-CB 3.44Å; Y199-A203 PolarHBondContact O-N 3.31Å; T200-A203 PolarHBondContact O-N 3.06Å; A203-F206 CarbonylContact O-C 3.59Å; A203-F206 PolarHBondContact O-N 3.04Å; A203-H207 CarbonylContact O-C 3.59Å; A203-H207 WeakPolarHBondContact O-CA 3.44Å; A203-H207 PolarHBondContact O-N 3.08Å; A203-Y208 PolarHBondContact O-N 3.26Å; A203-V210 HydrophobicContact CB-CG2 3.27Å
204	R	88.3	Confident	91.6	Very high	161 Å²	161	50.3 Å²	50.3	61%	0.608	21%	0.207	S	C	*	.	H	α-helix	trans	-59.5	-47.5	173.8	-172.2	-169	66.3	76	0.8	112.3	T200 M202 F206	T200-R204 WeakPolarHBondContact O-CB 3.46Å; T200-R204 PolarHBondContact O-N 2.66Å; M202-R204 VanDerWaalsContact C-N 3.27Å; M202-R204 PolarHBondContact O-N 3.12Å; R204-F206 VanDerWaalsContact C-N 3.33Å; R204-F206 PolarHBondContact O-N 3.38Å
205	R	88.4	Confident	91.5	Very high	160 Å²	160	42.5 Å²	42.5	60%	0.604	18%	0.178	S	C	*	.	H	α-helix	trans	-64.3	-35.1	-178.6	-179.3	175.6	177.4	173.6	-1.2	113	E201 M202	E201-R205 WeakPolarHBondContact O-CB 3.46Å; E201-R205 PolarHBondContact O-N 3.36Å; M202-R205 PolarHBondContact O-N 3.21Å; M202-R205 VanDerWaalsContact O-N 3.1Å
206	F	88.9	Confident	91.2	Very high	36 Å²	36	43.7 Å²	43.7	16%	0.158	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	-106.6	12.5	-176.2	-67.7	-85.7	0	0	0	113.6	R110 Y174 V177 C178 M202 A203 R204 Y208	R110-F206 WeakPolarHBondContact CD-O 3.48Å; R110-F206 PolarHBondContact NH1-O 2.89Å; Y174-F206 HydrophobicContact CE2-CE2 4.29Å; Y174-F206 HydrophobicContact CE2-CZ 4.14Å; V177-F206 HydrophobicContact CB-CB 4.19Å; V177-F206 HydrophobicContact CB-CD2 4Å; V177-F206 HydrophobicContact CB-CG 4.01Å; V177-F206 HydrophobicContact CG2-CD1 4.43Å; V177-F206 HydrophobicContact CG2-CD2 3.49Å; V177-F206 VanDerWaalsContact CG2-CD2 3.49Å; V177-F206 HydrophobicContact CG2-CE2 3.59Å; V177-F206 HydrophobicContact CG2-CG 3.94Å; V177-F206 HydrophobicContact CG2-CZ 4.12Å; C178-F206 VanDerWaalsContact SG-CZ 3.54Å; M202-F206 WeakPolarHBondContact O-CD2 3.45Å; M202-F206 PolarHBondContact O-N 3.21Å; A203-F206 CarbonylContact O-C 3.59Å; A203-F206 PolarHBondContact O-N 3.04Å; R204-F206 VanDerWaalsContact C-N 3.33Å; R204-F206 PolarHBondContact O-N 3.38Å; F206-Y208 HydrophobicContact CB-CD2 3.78Å; F206-Y208 HydrophobicContact CB-CE2 3.77Å; F206-Y208 WeakPolarHBondContact O-CD2 3.15Å; F206-Y208 PolarHBondContact O-N 3.42Å
207	H	86.2	Confident	91.1	Very high	59 Å²	59	44.2 Å²	44.2	27%	0.273	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	61.9	39.9	174.1	-53	-56.3	0	0	0	114.5	A203 A260 I346 I361	A203-H207 CarbonylContact O-C 3.59Å; A203-H207 WeakPolarHBondContact O-CA 3.44Å; A203-H207 PolarHBondContact O-N 3.08Å; H207-A260 HydrophobicContact CB-CB 4.37Å; H207-I346 WeakPolarHBondContact CE1-CD1 3.19Å; H207-I361 HydrophobicContact CB-CD1 4.09Å
208	Y	89.1	Confident	90.9	Very high	13 Å²	13	41.2 Å²	41.2	5%	0.051	19%	0.187	C	C	.	.	P	Polyproline II helix	trans	-88.7	139.3	172.9	-76.2	-108.9	0	0	0	111.8	R110 F111 M112 V177 G180 Y181 I184 A203 F206	R110-Y208 HydrophobicContact CB-CD1 3.8Å; R110-Y208 HydrophobicContact CB-CD2 4.11Å; R110-Y208 HydrophobicContact CB-CE1 3.97Å; R110-Y208 HydrophobicContact CB-CE2 4.27Å; R110-Y208 HydrophobicContact CB-CG 3.86Å; R110-Y208 HydrophobicContact CG-CE1 4.44Å; R110-Y208 HydrophobicContact CG-CE2 4.36Å; R110-Y208 CarbonylContact O-C 3.57Å; R110-Y208 VanDerWaalsContact O-CA 3.3Å; R110-Y208 WeakPolarHBondContact O-CA 3.31Å; F111-Y208 WeakPolarHBondContact O-CD1 3.3Å; M112-Y208 HydrophobicContact CB-CD1 4.07Å; M112-Y208 HydrophobicContact CB-CG 4.45Å; V177-Y208 HydrophobicContact CB-CE2 3.95Å; V177-Y208 HydrophobicContact CG1-CD2 4.47Å; V177-Y208 HydrophobicContact CG1-CE2 4.02Å; G180-Y208 VanDerWaalsContact C-OH 3.3Å; G180-Y208 WeakPolarHBondContact CA-OH 3.47Å; Y181-Y208 PolarHBondContact N-OH 3.47Å; Y181-Y208 WeakPolarHBondContact O-CE1 3.33Å; Y181-Y208 PolarHBondContact O-OH 2.94Å; I184-Y208 HydrophobicContact CD1-CE1 3.69Å; I184-Y208 HydrophobicContact CG1-CE1 4.17Å; A203-Y208 PolarHBondContact O-N 3.26Å; F206-Y208 HydrophobicContact CB-CD2 3.78Å; F206-Y208 HydrophobicContact CB-CE2 3.77Å; F206-Y208 WeakPolarHBondContact O-CD2 3.15Å; F206-Y208 PolarHBondContact O-N 3.42Å
209	F	85.3	Confident	90.9	Very high	13 Å²	13	40.4 Å²	40.4	6%	0.057	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	120.4	165.5	-74.1	-79.6	0	0	0	110.2	R110 F111 M112 F257 P259 I361	R110-F209 PolarHBondContact O-N 2.82Å; F111-F209 WeakPolarHBondContact CA-O 3.5Å; F111-F209 HydrophobicContact CD1-CB 3.79Å; F111-F209 HydrophobicContact CE1-CB 3.74Å; F111-F209 HydrophobicContact CE1-CG 4.47Å; F111-F209 HydrophobicContact CG-CB 4.24Å; F111-F209 HydrophobicContact CZ-CB 4.15Å; F111-F209 HydrophobicContact CZ-CG 4.46Å; M112-F209 PolarHBondContact N-O 3.48Å; F209-F257 HydrophobicContact CD1-CB 4.08Å; F209-F257 HydrophobicContact CD1-CD1 4.5Å; F209-F257 HydrophobicContact CD1-CG 4.2Å; F209-F257 HydrophobicContact CE1-CB 3.23Å; F209-F257 AromaticContact CE1-CD1 3.5Å; F209-F257 HydrophobicContact CE1-CD1 3.5Å; F209-F257 HydrophobicContact CE1-CD2 4.23Å; F209-F257 HydrophobicContact CE1-CE1 4.35Å; F209-F257 AromaticContact CE1-CG 3.42Å; F209-F257 HydrophobicContact CE1-CG 3.42Å; F209-F257 VanDerWaalsContact CE1-CG 3.42Å; F209-F257 HydrophobicContact CZ-CB 3.76Å; F209-F257 HydrophobicContact CZ-CD1 4.22Å; F209-F257 HydrophobicContact CZ-CG 4.28Å; F209-P259 HydrophobicContact CD2-CB 3.27Å; F209-P259 HydrophobicContact CE2-CB 3.26Å; F209-P259 HydrophobicContact CG-CB 4.08Å; F209-P259 HydrophobicContact CZ-CB 3.98Å; F209-I361 HydrophobicContact CE2-CD1 3.39Å; F209-I361 HydrophobicContact CZ-CB 4.27Å; F209-I361 HydrophobicContact CZ-CD1 3.45Å; F209-I361 VanDerWaalsContact CZ-CD1 3.45Å; F209-I361 HydrophobicContact CZ-CG1 4.49Å; F209-I361 HydrophobicContact CZ-CG2 4.04Å
210	V	89.4	Confident	90.7	Very high	8 Å²	8	43.6 Å²	43.6	5%	0.048	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92	124.6	177.6	179.2	0	0	0	0	109.4	M112 I114 A203 M212 Y564	M112-V210 WeakPolarHBondContact O-CA 3.03Å; I114-V210 HydrophobicContact CD1-CG1 3.67Å; I114-V210 HydrophobicContact CG1-CG1 4.09Å; A203-V210 HydrophobicContact CB-CG2 3.27Å; V210-M212 HydrophobicContact CG1-CE 3.99Å; V210-M212 HydrophobicContact CG1-CG 4.26Å; V210-M212 HydrophobicContact CG1-SD 4.27Å; V210-Y564 HydrophobicContact CB-CD2 3.82Å; V210-Y564 HydrophobicContact CB-CE2 4.32Å; V210-Y564 HydrophobicContact CG1-CD2 3.76Å; V210-Y564 HydrophobicContact CG1-CE2 4.01Å
211	I	88.6	Confident	90.8	Very high	6 Å²	6	46.9 Å²	46.9	3%	0.031	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	109.8	163.1	-58.2	176.8	0	0	0	106.7	F96 F111 M112 F113 I114 V213	F96-I211 HydrophobicContact CE1-CG2 4.44Å; F111-I211 HydrophobicContact CD1-CD1 3.86Å; F111-I211 HydrophobicContact CD1-CG1 4.28Å; F111-I211 HydrophobicContact CE1-CD1 3.84Å; F111-I211 HydrophobicContact CE1-CG1 4.37Å; M112-I211 PolarHBondContact O-N 3.42Å; F113-I211 WeakPolarHBondContact CA-O 3.5Å; F113-I211 HydrophobicContact CD1-CB 3.88Å; F113-I211 HydrophobicContact CD1-CD1 4.41Å; F113-I211 HydrophobicContact CD1-CG2 4.28Å; F113-I211 HydrophobicContact CE1-CB 4.05Å; F113-I211 HydrophobicContact CE1-CD1 3.7Å; F113-I211 HydrophobicContact CE1-CG1 4.36Å; F113-I211 HydrophobicContact CE1-CG2 4.38Å; F113-I211 HydrophobicContact CZ-CD1 4.37Å; I114-I211 PolarHBondContact N-O 3.48Å; I211-V213 HydrophobicContact CG2-CG2 3.8Å; I211-V213 PolarHBondContact O-N 3.47Å
212	M	90.9	Very high	90.9	Very high	22 Å²	22	46.1 Å²	46.1	11%	0.108	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	123.8	169.2	-67.8	-68	-177.7	0	0	108.2	I114 R116 A196 T200 V210 I249 Y564	I114-M212 HydrophobicContact CB-CE 4.42Å; I114-M212 HydrophobicContact CB-SD 3.59Å; I114-M212 VanDerWaalsContact CB-SD 3.59Å; I114-M212 HydrophobicContact CD1-CE 3.83Å; I114-M212 HydrophobicContact CD1-SD 4.15Å; I114-M212 HydrophobicContact CG1-SD 4.42Å; I114-M212 HydrophobicContact CG2-CE 4.4Å; I114-M212 HydrophobicContact CG2-SD 3.66Å; I114-M212 WeakPolarHBondContact O-CA 3.41Å; R116-M212 HydrophobicContact CG-SD 4.28Å; A196-M212 HydrophobicContact CB-CE 4.32Å; T200-M212 HydrophobicContact CG2-CE 3.39Å; V210-M212 HydrophobicContact CG1-CE 3.99Å; V210-M212 HydrophobicContact CG1-CG 4.26Å; V210-M212 HydrophobicContact CG1-SD 4.27Å; M212-I249 HydrophobicContact CE-CD1 4.44Å; M212-I249 HydrophobicContact CE-CG2 4.33Å; M212-Y564 HydrophobicContact CE-CD1 3.84Å; M212-Y564 HydrophobicContact CE-CD2 4.32Å; M212-Y564 HydrophobicContact CE-CE1 3.92Å; M212-Y564 HydrophobicContact CE-CE2 4.35Å; M212-Y564 HydrophobicContact CE-CG 4.06Å; M212-Y564 HydrophobicContact CG-CD2 4.5Å; M212-Y564 HydrophobicContact CG-CE1 3.83Å; M212-Y564 HydrophobicContact CG-CE2 3.68Å; M212-Y564 VanDerWaalsContact CG-OH 3.23Å; M212-Y564 WeakPolarHBondContact CG-OH 3.41Å
213	V	91.4	Very high	91.1	Very high	2 Å²	2	46.4 Å²	46.4	1%	0.012	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	118.8	-177.6	-163.5	0	0	0	0	111.6	F94 F96 F113 I114 L115 R116 L126 I211	F94-V213 HydrophobicContact CD1-CG1 4.08Å; F94-V213 HydrophobicContact CE1-CG1 3.48Å; F94-V213 VanDerWaalsContact CE1-CG1 3.48Å; F94-V213 HydrophobicContact CE2-CG1 4.36Å; F94-V213 HydrophobicContact CZ-CG1 3.64Å; F96-V213 HydrophobicContact CE1-CG1 4.26Å; F96-V213 HydrophobicContact CE1-CG2 3.89Å; F96-V213 HydrophobicContact CZ-CG1 3.98Å; F96-V213 HydrophobicContact CZ-CG2 3.95Å; F113-V213 HydrophobicContact CD1-CG2 3.93Å; I114-V213 PolarHBondContact O-N 3.23Å; L115-V213 CarbonylContact C-O 3.5Å; L115-V213 WeakPolarHBondContact CA-O 3.5Å; L115-V213 HydrophobicContact CD2-CB 3.81Å; L115-V213 HydrophobicContact CD2-CG2 4.22Å; R116-V213 PolarHBondContact N-O 3.27Å; L126-V213 HydrophobicContact CD2-CB 4.17Å; L126-V213 HydrophobicContact CD2-CG1 3.4Å; I211-V213 HydrophobicContact CG2-CG2 3.8Å; I211-V213 PolarHBondContact O-N 3.47Å
214	I	92.5	Very high	91.3	Very high	39 Å²	39	52.8 Å²	52.8	20%	0.2	24%	0.241	C	C	.	.			trans	-100.6	125.9	169.4	-59.2	169.8	0	0	0	107.2	R116 Q216 F221 F246	R116-I214 HydrophobicContact CB-CG1 3.92Å; I214-Q216 PolarHBondContact O-N 2.83Å; I214-F221 HydrophobicContact CG2-CZ 4.24Å; I214-F246 HydrophobicContact CD1-CE1 3.91Å; I214-F246 HydrophobicContact CD1-CZ 3.73Å; I214-F246 HydrophobicContact CG1-CZ 4.07Å
215	P	92.2	Very high	91.7	Very high	4 Å²	4	46 Å²	46	3%	0.026	22%	0.218	C	C	.	.			trans	-51.3	138.1	173.6	-28.2	35.9	0	0	0	111.4	R116 S121 K123 T217 R220	R116-P215 WeakPolarHBondContact O-CD 3.41Å; S121-P215 VanDerWaalsContact O-CB 3.24Å; S121-P215 WeakPolarHBondContact O-CB 3.43Å; K123-P215 HydrophobicContact CB-CG 4.5Å; K123-P215 HydrophobicContact CG-CG 3.87Å; P215-T217 VanDerWaalsContact C-N 3.25Å; P215-T217 PolarHBondContact O-N 3.18Å; P215-R220 WeakPolarHBondContact O-CD 3.47Å
216	Q	89.3	Confident	92.2	Very high	59 Å²	59	38.4 Å²	38.4	28%	0.276	19%	0.189	S	C	.	.			trans	-88.9	16.2	-178.1	-69.5	178.6	2.7	0	0	113.3	F94 I214	F94-Q216 HydrophobicContact CE1-CG 4.05Å; F94-Q216 HydrophobicContact CE2-CG 4.43Å; F94-Q216 HydrophobicContact CZ-CB 4.45Å; F94-Q216 HydrophobicContact CZ-CG 3.68Å; I214-Q216 PolarHBondContact O-N 2.83Å
217	T	91.3	Very high	92.5	Very high	12 Å²	12	37.9 Å²	37.9	7%	0.074	19%	0.192	C	C	.	.			trans	-61.1	141.5	178.2	56.6	0	0	0	0	110.4	Y91 S121 P215 W219 R220	Y91-T217 HydrophobicContact CG-CG2 4.43Å; S121-T217 PolarHBondContact O-OG1 3.41Å; P215-T217 VanDerWaalsContact C-N 3.25Å; P215-T217 PolarHBondContact O-N 3.18Å; T217-W219 HydrophobicContact CG2-CH2 3.97Å; T217-W219 HydrophobicContact CG2-CZ2 3.62Å; T217-W219 PolarHBondContact O-N 2.93Å; T217-R220 WeakPolarHBondContact O-CB 3.49Å; T217-R220 WeakPolarHBondContact O-CD 3.39Å; T217-R220 VanDerWaalsContact O-CG 3.28Å; T217-R220 WeakPolarHBondContact O-CG 3.3Å; T217-R220 PolarHBondContact O-N 3.11Å; T217-R220 PolarHBondContact O-NH1 3.14Å; T217-R220 WeakPolarHBondContact OG1-CB 3.25Å
218	P	92.2	Very high	92.9	Very high	91 Å²	91	41.8 Å²	41.8	59%	0.591	21%	0.212	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.1	-29.1	-179	-26.8	34.6	0	0	0	113.3	Y91	Y91-P218 HydrophobicContact CE1-CG 3.63Å
219	W	94.3	Very high	93.1	Very high	51 Å²	51	46.5 Å²	46.5	19%	0.193	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.8	8.6	-177.1	64.1	81.8	0	0	0	114.3	Y91 G120 T217 F221 D222 T225 R229	Y91-W219 HydrophobicContact CE2-CH2 4.31Å; Y91-W219 HydrophobicContact CE2-CZ3 4.31Å; G120-W219 PolarHBondContact O-NE1 3.35Å; T217-W219 HydrophobicContact CG2-CH2 3.97Å; T217-W219 HydrophobicContact CG2-CZ2 3.62Å; T217-W219 PolarHBondContact O-N 2.93Å; W219-F221 PolarHBondContact O-N 3.39Å; W219-D222 HydrophobicContact CB-CB 4.18Å; W219-D222 PolarHBondContact O-N 2.9Å; W219-T225 HydrophobicContact CB-CG2 3.29Å; W219-T225 VanDerWaalsContact CD1-CG2 3.46Å; W219-T225 HydrophobicContact CD2-CG2 4.18Å; W219-T225 HydrophobicContact CG-CG2 3.33Å; W219-R229 VanDerWaalsContact NE1-CD 3.31Å
220	R	93.6	Very high	93.3	Very high	68 Å²	68	46.7 Å²	46.7	26%	0.257	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.8	-16.6	-173.3	64.8	-172.4	177.4	-100.4	10.1	115.6	P118 P215 T217	P118-R220 VanDerWaalsContact CG-O 3.29Å; P118-R220 WeakPolarHBondContact CG-O 3.46Å; P215-R220 WeakPolarHBondContact O-CD 3.47Å; T217-R220 WeakPolarHBondContact O-CB 3.49Å; T217-R220 WeakPolarHBondContact O-CD 3.39Å; T217-R220 VanDerWaalsContact O-CG 3.28Å; T217-R220 WeakPolarHBondContact O-CG 3.3Å; T217-R220 PolarHBondContact O-N 3.11Å; T217-R220 PolarHBondContact O-NH1 3.14Å; T217-R220 WeakPolarHBondContact OG1-CB 3.25Å
221	F	95.1	Very high	93.3	Very high	84 Å²	84	49.5 Å²	49.5	37%	0.368	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	-127	13	176	-61.4	-60.6	0	0	0	113.3	I214 W219 V243 F246	I214-F221 HydrophobicContact CG2-CZ 4.24Å; W219-F221 PolarHBondContact O-N 3.39Å; F221-V243 HydrophobicContact CB-CG1 4.25Å; F221-V243 WeakPolarHBondContact O-CG1 3.48Å; F221-F246 HydrophobicContact CE1-CB 4.29Å; F221-F246 AromaticContact CE1-CD1 3.79Å; F221-F246 HydrophobicContact CE1-CD1 3.79Å; F221-F246 AromaticContact CE1-CD2 3.77Å; F221-F246 HydrophobicContact CE1-CD2 3.77Å; F221-F246 HydrophobicContact CE1-CE1 4Å; F221-F246 HydrophobicContact CE1-CE2 4Å; F221-F246 AromaticContact CE1-CG 3.66Å; F221-F246 HydrophobicContact CE1-CG 3.66Å; F221-F246 HydrophobicContact CE1-CZ 4.1Å; F221-F246 AromaticContact CZ-CD1 3.94Å; F221-F246 HydrophobicContact CZ-CD1 3.94Å; F221-F246 HydrophobicContact CZ-CD2 4.5Å; F221-F246 AromaticContact CZ-CE1 3.8Å; F221-F246 HydrophobicContact CZ-CE1 3.8Å; F221-F246 HydrophobicContact CZ-CE2 4.39Å; F221-F246 HydrophobicContact CZ-CG 4.29Å; F221-F246 HydrophobicContact CZ-CZ 4.04Å
222	D	97	Very high	93.2	Very high	70 Å²	70	51.4 Å²	51.4	37%	0.374	26%	0.257	S	S	.	.			trans	-91.5	101.5	175	173.2	19.5	0	0	0	109.8	W219 E224 T225 L226	W219-D222 HydrophobicContact CB-CB 4.18Å; W219-D222 PolarHBondContact O-N 2.9Å; D222-E224 PolarHBondContact O-N 2.98Å; D222-T225 PolarHBondContact O-N 2.78Å; D222-T225 WeakPolarHBondContact OD2-CB 3.25Å; D222-T225 PolarHBondContact OD2-OG1 2.72Å; D222-L226 WeakPolarHBondContact O-CB 3.46Å; D222-L226 WeakPolarHBondContact O-CD1 3.44Å; D222-L226 WeakPolarHBondContact O-CG 3.41Å; D222-L226 PolarHBondContact O-N 2.79Å
223	A	97.3	Very high	93.1	Very high	17 Å²	17	59.2 Å²	59.2	14%	0.14	29%	0.291	C	S	.	.	H	α-helix	trans	-59.2	-40.7	-168.7	0	0	0	0	0	113.7	L226 A227 L236 I239 E240	A223-L226 PolarHBondContact O-N 3.39Å; A223-A227 WeakPolarHBondContact O-CB 3.13Å; A223-A227 PolarHBondContact O-N 3.24Å; A223-L236 HydrophobicContact CB-CD1 4.07Å; A223-L236 WeakPolarHBondContact O-CD1 3.33Å; A223-I239 HydrophobicContact CB-CG2 4.18Å; A223-E240 HydrophobicContact CB-CB 4.46Å; A223-E240 HydrophobicContact CB-CG 3.61Å
224	E	97	Very high	93.1	Very high	133 Å²	133	61 Å²	61	62%	0.621	30%	0.301	S	S	*	.	H	α-helix	trans	-64.1	-47.8	178.8	-66.8	-177.7	-169.5	0	0	110.9	D222 L226 A227 M228	D222-E224 PolarHBondContact O-N 2.98Å; E224-L226 PolarHBondContact O-N 2.79Å; E224-A227 PolarHBondContact O-N 2.75Å; E224-M228 WeakPolarHBondContact O-CG 3.36Å; E224-M228 PolarHBondContact O-N 3.09Å
225	T	96.6	Very high	93.3	Very high	19 Å²	19	61.9 Å²	61.9	12%	0.117	31%	0.311	C	S	.	.	H	α-helix	trans	-62.5	-42.7	176.3	-75.9	0	0	0	0	112.3	W219 D222 A227 M228 R229	W219-T225 HydrophobicContact CB-CG2 3.29Å; W219-T225 VanDerWaalsContact CD1-CG2 3.46Å; W219-T225 HydrophobicContact CD2-CG2 4.18Å; W219-T225 HydrophobicContact CG-CG2 3.33Å; D222-T225 PolarHBondContact O-N 2.78Å; D222-T225 WeakPolarHBondContact OD2-CB 3.25Å; D222-T225 PolarHBondContact OD2-OG1 2.72Å; T225-A227 VanDerWaalsContact C-N 3.33Å; T225-M228 PolarHBondContact O-N 3.09Å; T225-R229 HydrophobicContact CG2-CG 4.42Å; T225-R229 WeakPolarHBondContact O-CB 3.23Å; T225-R229 WeakPolarHBondContact O-CG 3.41Å; T225-R229 PolarHBondContact O-N 2.81Å
226	L	97.1	Very high	93.5	Very high	0 Å²	0	65 Å²	65	0%	0	33%	0.327	C	S	.	.	H	α-helix	trans	-60.5	-44.2	177.1	-71.8	167	0	0	0	110.6	P118 P119 S121 D222 A223 E224 M228 R229 N230 I239 V243	P118-L226 HydrophobicContact CB-CD1 4.01Å; P118-L226 HydrophobicContact CG-CD1 3.4Å; P118-L226 VanDerWaalsContact CG-CD1 3.4Å; P118-L226 HydrophobicContact CG-CD2 4.1Å; P118-L226 HydrophobicContact CG-CG 4.39Å; P119-L226 WeakPolarHBondContact O-CB 3.29Å; P119-L226 WeakPolarHBondContact O-CD2 3.48Å; S121-L226 VanDerWaalsContact CA-CD2 3.48Å; S121-L226 VanDerWaalsContact N-CD2 3.31Å; D222-L226 WeakPolarHBondContact O-CB 3.46Å; D222-L226 WeakPolarHBondContact O-CD1 3.44Å; D222-L226 WeakPolarHBondContact O-CG 3.41Å; D222-L226 PolarHBondContact O-N 2.79Å; A223-L226 PolarHBondContact O-N 3.39Å; E224-L226 PolarHBondContact O-N 2.79Å; L226-M228 VanDerWaalsContact C-N 3.34Å; L226-M228 PolarHBondContact O-N 3.16Å; L226-R229 PolarHBondContact O-N 2.82Å; L226-R229 VanDerWaalsContact O-N 3.14Å; L226-N230 WeakPolarHBondContact O-CB 3.45Å; L226-N230 PolarHBondContact O-N 2.94Å; L226-I239 HydrophobicContact CB-CD1 4.48Å; L226-I239 HydrophobicContact CB-CG2 3.6Å; L226-I239 HydrophobicContact CD1-CG2 3.93Å; L226-I239 HydrophobicContact CG-CG2 4.44Å; L226-V243 HydrophobicContact CD1-CG2 3.67Å
227	A	95.8	Very high	93.9	Very high	25 Å²	25	69.4 Å²	69.4	21%	0.207	35%	0.348	C	S	.	.	H	α-helix	trans	-60.7	-41.8	175.5	0	0	0	0	0	112	A223 E224 T225 R229 N230 L236 I239	A223-A227 WeakPolarHBondContact O-CB 3.13Å; A223-A227 PolarHBondContact O-N 3.24Å; E224-A227 PolarHBondContact O-N 2.75Å; T225-A227 VanDerWaalsContact C-N 3.33Å; A227-R229 VanDerWaalsContact C-N 3.3Å; A227-R229 PolarHBondContact O-N 3.47Å; A227-N230 PolarHBondContact O-ND2 2.71Å; A227-L236 HydrophobicContact CB-CB 4.19Å; A227-L236 HydrophobicContact CB-CD1 3.87Å; A227-I239 VanDerWaalsContact CA-CD1 3.46Å; A227-I239 HydrophobicContact CB-CD1 3.91Å
228	M	94.5	Very high	94	Very high	142 Å²	142	71.7 Å²	71.7	70%	0.7	36%	0.362	S	S	*	.	H	α-helix	trans	-66.4	-28.8	175.1	-70.9	-172.3	-73.2	0	0	113.9	E224 T225 L226	E224-M228 WeakPolarHBondContact O-CG 3.36Å; E224-M228 PolarHBondContact O-N 3.09Å; T225-M228 PolarHBondContact O-N 3.09Å; L226-M228 VanDerWaalsContact C-N 3.34Å; L226-M228 PolarHBondContact O-N 3.16Å
229	R	92.9	Very high	94.3	Very high	111 Å²	111	67.4 Å²	67.4	42%	0.419	33%	0.334	S	S	.	.	H	α-helix	trans	-99.1	-11.1	-173.5	-72.8	176.9	165.5	71.5	-13.9	114.2	W219 T225 L226 A227	W219-R229 VanDerWaalsContact NE1-CD 3.31Å; T225-R229 HydrophobicContact CG2-CG 4.42Å; T225-R229 WeakPolarHBondContact O-CB 3.23Å; T225-R229 WeakPolarHBondContact O-CG 3.41Å; T225-R229 PolarHBondContact O-N 2.81Å; L226-R229 PolarHBondContact O-N 2.82Å; L226-R229 VanDerWaalsContact O-N 3.14Å; A227-R229 VanDerWaalsContact C-N 3.3Å; A227-R229 PolarHBondContact O-N 3.47Å
230	N	91.3	Very high	94.4	Very high	17 Å²	17	68.6 Å²	68.6	9%	0.091	34%	0.342	C	S	.	.			trans	-76.8	141.2	-178.3	92.8	93.4	0	0	0	111.4	P119 L226 A227 F233 V234 I239	P119-N230 HydrophobicContact CB-CB 3.91Å; L226-N230 WeakPolarHBondContact O-CB 3.45Å; L226-N230 PolarHBondContact O-N 2.94Å; A227-N230 PolarHBondContact O-ND2 2.71Å; N230-F233 WeakPolarHBondContact OD1-CA 3.21Å; N230-F233 PolarHBondContact OD1-N 2.93Å; N230-V234 PolarHBondContact ND2-O 2.79Å; N230-V234 PolarHBondContact OD1-N 2.8Å; N230-I239 HydrophobicContact CB-CD1 4.34Å
231	V	88.7	Confident	94.6	Very high	68 Å²	68	66.8 Å²	66.8	41%	0.412	34%	0.341	S	S	.	.	S	Bend	trans	-97	-13	-173.3	-62.7	0	0	0	0	114.5	C9	C9-V231 HydrophobicContact CB-CG1 3.6Å
232	H	86.5	Confident	94.7	Very high	46 Å²	46	65 Å²	65	21%	0.213	33%	0.333	C	S	.	.	S	Bend	trans	-98.2	13.1	179.7	-57.9	-60.5	0	0	0	112.2	D143 Y155 V234	D143-H232 IonicContact OD2-CD2 2.7Å; D143-H232 IonicContact OD2-NE2 3.2Å; Y155-H232 AromaticContact CD1-ND1 3.83Å; Y155-H232 AromaticContact CD2-CE1 3.7Å; Y155-H232 AromaticContact CD2-ND1 3.47Å; Y155-H232 WeakPolarHBondContact CD2-ND1 3.39Å; Y155-H232 HydrophobicContact CE1-CB 3.91Å; Y155-H232 AromaticContact CE1-ND1 3.7Å; Y155-H232 AromaticContact CE2-CE1 3.56Å; Y155-H232 AromaticContact CE2-ND1 3.33Å; Y155-H232 VanDerWaalsContact CE2-ND1 3.33Å; Y155-H232 WeakPolarHBondContact CE2-ND1 3.22Å; Y155-H232 AromaticContact CG-ND1 3.72Å; Y155-H232 AromaticContact CZ-CG 3.76Å; Y155-H232 AromaticContact CZ-ND1 3.48Å; H232-V234 HydrophobicContact CB-CG2 4.25Å; H232-V234 PolarHBondContact O-N 2.94Å; H232-V234 VanDerWaalsContact O-N 3.09Å
233	F	89.5	Confident	94.7	Very high	186 Å²	186	63.3 Å²	63.3	82%	0.816	33%	0.325	S	S	*	.			trans	51	33.6	179	-54.1	-77.9	0	0	0	114.4	N230 S235	N230-F233 WeakPolarHBondContact OD1-CA 3.21Å; N230-F233 PolarHBondContact OD1-N 2.93Å; F233-S235 PolarHBondContact O-N 3.42Å
234	V	91.5	Very high	94.6	Very high	39 Å²	39	70.7 Å²	70.7	24%	0.236	35%	0.349	C	S	.	.			trans	-58.9	129.3	173.6	-176.5	0	0	0	0	108.7	P119 N230 H232 T238 I239	P119-V234 HydrophobicContact CB-CB 4.39Å; P119-V234 HydrophobicContact CB-CG2 4.17Å; P119-V234 HydrophobicContact CG-CB 4.34Å; P119-V234 HydrophobicContact CG-CG1 4.31Å; P119-V234 HydrophobicContact CG-CG2 4.04Å; N230-V234 PolarHBondContact ND2-O 2.79Å; N230-V234 PolarHBondContact OD1-N 2.8Å; H232-V234 HydrophobicContact CB-CG2 4.25Å; H232-V234 PolarHBondContact O-N 2.94Å; H232-V234 VanDerWaalsContact O-N 3.09Å; V234-T238 HydrophobicContact CG1-CG2 3.54Å; V234-I239 HydrophobicContact CB-CD1 4.28Å; V234-I239 HydrophobicContact CB-CG1 4.28Å; V234-I239 HydrophobicContact CG1-CD1 4.44Å; V234-I239 HydrophobicContact CG1-CG1 3.91Å
235	S	94.8	Very high	94.6	Very high	57 Å²	57	68 Å²	68	40%	0.399	34%	0.339	S	S	.	.			trans	-61	149.4	-175.8	69.9	0	0	0	0	112.1	F233 E237 T238 I239	F233-S235 PolarHBondContact O-N 3.42Å; S235-E237 VanDerWaalsContact C-N 3.26Å; S235-E237 PolarHBondContact O-N 3.33Å; S235-T238 WeakPolarHBondContact O-CB 3.46Å; S235-T238 PolarHBondContact O-N 3.17Å; S235-T238 VanDerWaalsContact O-N 3.07Å; S235-T238 WeakPolarHBondContact OG-CB 3.45Å; S235-T238 PolarHBondContact OG-N 3.24Å; S235-T238 PolarHBondContact OG-OG1 3.47Å; S235-I239 PolarHBondContact O-N 2.67Å
236	L	96.9	Very high	94.5	Very high	70 Å²	70	69.1 Å²	69.1	37%	0.366	34%	0.342	S	S	.	.	H	α-helix	trans	-53.2	-45.7	175.1	175.6	60.2	0	0	0	111.2	A223 A227 T238 I239 E240	A223-L236 HydrophobicContact CB-CD1 4.07Å; A223-L236 WeakPolarHBondContact O-CD1 3.33Å; A227-L236 HydrophobicContact CB-CB 4.19Å; A227-L236 HydrophobicContact CB-CD1 3.87Å; L236-T238 VanDerWaalsContact C-N 3.3Å; L236-T238 PolarHBondContact O-N 3.38Å; L236-I239 PolarHBondContact O-N 2.77Å; L236-I239 VanDerWaalsContact O-N 3.09Å; L236-E240 HydrophobicContact CD1-CG 4.04Å; L236-E240 HydrophobicContact CG-CG 4.24Å; L236-E240 WeakPolarHBondContact O-CB 3.37Å; L236-E240 WeakPolarHBondContact O-CG 3.48Å; L236-E240 PolarHBondContact O-N 3.31Å
237	E	97.1	Very high	94.3	Very high	152 Å²	152	71.5 Å²	71.5	71%	0.71	35%	0.353	S	S	*	.	H	α-helix	trans	-55.1	-43	176.9	-176.1	-178.4	-174	0	0	112.6	S235 A241	S235-E237 VanDerWaalsContact C-N 3.26Å; S235-E237 PolarHBondContact O-N 3.33Å; E237-A241 WeakPolarHBondContact O-CB 3.31Å; E237-A241 PolarHBondContact O-N 2.9Å
238	T	95	Very high	94.1	Very high	60 Å²	60	72.7 Å²	72.7	37%	0.368	36%	0.355	S	S	.	.	H	α-helix	trans	-67.7	-39.8	177.8	-59.3	0	0	0	0	111.6	V234 S235 L236 A241 K242	V234-T238 HydrophobicContact CG1-CG2 3.54Å; S235-T238 WeakPolarHBondContact O-CB 3.46Å; S235-T238 PolarHBondContact O-N 3.17Å; S235-T238 VanDerWaalsContact O-N 3.07Å; S235-T238 WeakPolarHBondContact OG-CB 3.45Å; S235-T238 PolarHBondContact OG-N 3.24Å; S235-T238 PolarHBondContact OG-OG1 3.47Å; L236-T238 VanDerWaalsContact C-N 3.3Å; L236-T238 PolarHBondContact O-N 3.38Å; T238-A241 PolarHBondContact O-N 3.15Å; T238-K242 PolarHBondContact O-N 3.31Å
239	I	97.2	Very high	94	Very high	0 Å²	0	66.8 Å²	66.8	0%	0	33%	0.326	C	S	.	.	H	α-helix	trans	-67.2	-44.9	177.3	-70.7	173.3	0	0	0	110.6	P119 A223 L226 A227 N230 V234 S235 L236 A241 K242 V243	P119-I239 HydrophobicContact CB-CD1 4.46Å; P119-I239 HydrophobicContact CB-CG1 4.48Å; A223-I239 HydrophobicContact CB-CG2 4.18Å; L226-I239 HydrophobicContact CB-CD1 4.48Å; L226-I239 HydrophobicContact CB-CG2 3.6Å; L226-I239 HydrophobicContact CD1-CG2 3.93Å; L226-I239 HydrophobicContact CG-CG2 4.44Å; A227-I239 VanDerWaalsContact CA-CD1 3.46Å; A227-I239 HydrophobicContact CB-CD1 3.91Å; N230-I239 HydrophobicContact CB-CD1 4.34Å; V234-I239 HydrophobicContact CB-CD1 4.28Å; V234-I239 HydrophobicContact CB-CG1 4.28Å; V234-I239 HydrophobicContact CG1-CD1 4.44Å; V234-I239 HydrophobicContact CG1-CG1 3.91Å; S235-I239 PolarHBondContact O-N 2.67Å; L236-I239 PolarHBondContact O-N 2.77Å; L236-I239 VanDerWaalsContact O-N 3.09Å; I239-A241 VanDerWaalsContact C-N 3.3Å; I239-A241 PolarHBondContact O-N 3.43Å; I239-K242 PolarHBondContact O-N 3.29Å; I239-K242 VanDerWaalsContact O-N 3.11Å; I239-V243 HydrophobicContact CG2-CG2 4.4Å; I239-V243 WeakPolarHBondContact O-CG2 3.42Å; I239-V243 PolarHBondContact O-N 3.44Å
240	E	98	Very high	93.9	Very high	77 Å²	77	63.6 Å²	63.6	36%	0.36	31%	0.314	S	S	.	.	H	α-helix	trans	-56.6	-44.4	173.9	-75.3	179.4	168.7	0	0	111.3	A223 L236 V243 R244	A223-E240 HydrophobicContact CB-CB 4.46Å; A223-E240 HydrophobicContact CB-CG 3.61Å; L236-E240 HydrophobicContact CD1-CG 4.04Å; L236-E240 HydrophobicContact CG-CG 4.24Å; L236-E240 WeakPolarHBondContact O-CB 3.37Å; L236-E240 WeakPolarHBondContact O-CG 3.48Å; L236-E240 PolarHBondContact O-N 3.31Å; E240-V243 PolarHBondContact O-N 3.08Å; E240-R244 VanDerWaalsContact O-CB 3.24Å; E240-R244 WeakPolarHBondContact O-CB 3.18Å; E240-R244 PolarHBondContact O-N 3.43Å
241	A	96.9	Very high	93.9	Very high	29 Å²	29	62.8 Å²	62.8	24%	0.24	31%	0.31	C	S	.	.	H	α-helix	trans	-61.5	-43.6	174.8	0	0	0	0	0	111.9	E237 T238 I239 R244 N245	E237-A241 WeakPolarHBondContact O-CB 3.31Å; E237-A241 PolarHBondContact O-N 2.9Å; T238-A241 PolarHBondContact O-N 3.15Å; I239-A241 VanDerWaalsContact C-N 3.3Å; I239-A241 PolarHBondContact O-N 3.43Å; A241-R244 PolarHBondContact O-N 2.81Å; A241-N245 WeakPolarHBondContact O-CB 3.44Å; A241-N245 VanDerWaalsContact O-CG 3.25Å; A241-N245 PolarHBondContact O-N 3.02Å; A241-N245 PolarHBondContact O-ND2 3.19Å; A241-N245 VanDerWaalsContact O-ND2 3.1Å
242	K	96.3	Very high	94.1	Very high	48 Å²	48	60.7 Å²	60.7	21%	0.209	30%	0.298	C	S	.	.	H	α-helix	trans	-65.5	-37.4	176.9	-79.9	-175.3	174.4	-74.8	0	113.1	P118 P119 T189 T191 E195 T238 I239 F246	P118-K242 HydrophobicContact CB-CB 4.27Å; P119-K242 HydrophobicContact CG-CD 4.35Å; T189-K242 PolarHBondContact OG1-NZ 2.97Å; T191-K242 HydrophobicContact CG2-CB 4.33Å; E195-K242 IonicContact OE1-NZ 3.65Å; T238-K242 PolarHBondContact O-N 3.31Å; I239-K242 PolarHBondContact O-N 3.29Å; I239-K242 VanDerWaalsContact O-N 3.11Å; K242-F246 PolarHBondContact O-N 2.97Å
243	V	97	Very high	94.5	Very high	34 Å²	34	60.2 Å²	60.2	21%	0.206	29%	0.294	C	S	.	.	H	α-helix	trans	-66.8	-51.3	174.8	171.1	0	0	0	0	110.2	P118 F221 L226 I239 E240 N245 F246	P118-V243 HydrophobicContact CB-CG2 4.25Å; P118-V243 HydrophobicContact CG-CG2 3.99Å; F221-V243 HydrophobicContact CB-CG1 4.25Å; F221-V243 WeakPolarHBondContact O-CG1 3.48Å; L226-V243 HydrophobicContact CD1-CG2 3.67Å; I239-V243 HydrophobicContact CG2-CG2 4.4Å; I239-V243 WeakPolarHBondContact O-CG2 3.42Å; I239-V243 PolarHBondContact O-N 3.44Å; E240-V243 PolarHBondContact O-N 3.08Å; V243-N245 PolarHBondContact O-N 3.03Å; V243-F246 WeakPolarHBondContact O-CB 3.43Å; V243-F246 PolarHBondContact O-N 3.36Å; V243-F246 VanDerWaalsContact O-N 3.12Å
244	R	96.8	Very high	94.6	Very high	172 Å²	172	51.8 Å²	51.8	65%	0.649	26%	0.257	S	S	*	.	H	α-helix	trans	-58.5	-37.8	179.8	-169.5	-171.7	-50.9	123.9	6.2	112.3	E240 A241	E240-R244 VanDerWaalsContact O-CB 3.24Å; E240-R244 WeakPolarHBondContact O-CB 3.18Å; E240-R244 PolarHBondContact O-N 3.43Å; A241-R244 PolarHBondContact O-N 2.81Å
245	N	95.7	Very high	94.7	Very high	75 Å²	75	49.9 Å²	49.9	40%	0.401	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.9	6.1	-177.9	-67.9	-33.1	0	0	0	113.4	R192 A241 V243 E247	R192-N245 WeakPolarHBondContact CD-O 3.34Å; R192-N245 PolarHBondContact NH1-O 2.97Å; A241-N245 WeakPolarHBondContact O-CB 3.44Å; A241-N245 VanDerWaalsContact O-CG 3.25Å; A241-N245 PolarHBondContact O-N 3.02Å; A241-N245 PolarHBondContact O-ND2 3.19Å; A241-N245 VanDerWaalsContact O-ND2 3.1Å; V243-N245 PolarHBondContact O-N 3.03Å; N245-E247 PolarHBondContact O-N 3.28Å; N245-E247 VanDerWaalsContact O-N 3.11Å
246	F	95.5	Very high	94.6	Very high	43 Å²	43	47.2 Å²	47.2	19%	0.189	23%	0.227	C	C	.	.			trans	-63.6	114	-178.2	-169.1	-88.2	0	0	0	111.1	R116 T191 I214 F221 K242 V243	R116-F246 HydrophobicContact CB-CE2 4.46Å; R116-F246 HydrophobicContact CB-CZ 4.3Å; T191-F246 HydrophobicContact CG2-CD2 4Å; T191-F246 HydrophobicContact CG2-CE2 4.39Å; I214-F246 HydrophobicContact CD1-CE1 3.91Å; I214-F246 HydrophobicContact CD1-CZ 3.73Å; I214-F246 HydrophobicContact CG1-CZ 4.07Å; F221-F246 HydrophobicContact CE1-CB 4.29Å; F221-F246 AromaticContact CE1-CD1 3.79Å; F221-F246 HydrophobicContact CE1-CD1 3.79Å; F221-F246 AromaticContact CE1-CD2 3.77Å; F221-F246 HydrophobicContact CE1-CD2 3.77Å; F221-F246 HydrophobicContact CE1-CE1 4Å; F221-F246 HydrophobicContact CE1-CE2 4Å; F221-F246 AromaticContact CE1-CG 3.66Å; F221-F246 HydrophobicContact CE1-CG 3.66Å; F221-F246 HydrophobicContact CE1-CZ 4.1Å; F221-F246 AromaticContact CZ-CD1 3.94Å; F221-F246 HydrophobicContact CZ-CD1 3.94Å; F221-F246 HydrophobicContact CZ-CD2 4.5Å; F221-F246 AromaticContact CZ-CE1 3.8Å; F221-F246 HydrophobicContact CZ-CE1 3.8Å; F221-F246 HydrophobicContact CZ-CE2 4.39Å; F221-F246 HydrophobicContact CZ-CG 4.29Å; F221-F246 HydrophobicContact CZ-CZ 4.04Å; K242-F246 PolarHBondContact O-N 2.97Å; V243-F246 WeakPolarHBondContact O-CB 3.43Å; V243-F246 PolarHBondContact O-N 3.36Å; V243-F246 VanDerWaalsContact O-N 3.12Å
247	E	93.3	Very high	94.2	Very high	50 Å²	50	44.1 Å²	44.1	23%	0.234	21%	0.211	C	C	.	.			trans	-90.9	145.3	-178.8	-70.6	178.7	163.8	0	0	111.4	R116 T191 R192 S193 N245	R116-E247 PolarHBondContact NH1-O 2.97Å; R116-E247 VanDerWaalsContact NH1-O 3.16Å; R116-E247 PolarHBondContact NH2-O 3.15Å; T191-E247 PolarHBondContact O-N 2.86Å; R192-E247 IonicContact CZ-OE1 3.86Å; R192-E247 IonicContact NE-OE1 3.65Å; R192-E247 PolarHBondContact NE-OE1 2.81Å; R192-E247 IonicContact NE-OE2 3.59Å; R192-E247 IonicContact NH1-OE1 3.12Å; R192-E247 IonicContact NH2-OE1 3.75Å; R192-E247 PolarHBondContact NH2-OE1 3.42Å; S193-E247 VanDerWaalsContact CB-OE2 3.31Å; S193-E247 WeakPolarHBondContact CB-OE2 3.41Å; S193-E247 PolarHBondContact N-OE2 3.29Å; S193-E247 PolarHBondContact OG-OE2 2.85Å; N245-E247 PolarHBondContact O-N 3.28Å; N245-E247 VanDerWaalsContact O-N 3.11Å
248	H	90.3	Very high	93.6	Very high	50 Å²	50	36.9 Å²	36.9	23%	0.231	18%	0.177	C	C	.	.			trans	-77.4	123.2	161	-166.7	-76.7	0	0	0	109.2	Y250	H248-Y250 HydrophobicContact CB-CE1 4.32Å; H248-Y250 HydrophobicContact CB-CE2 4.15Å; H248-Y250 AromaticContact CE1-CD1 3.86Å; H248-Y250 AromaticContact CE1-CE1 3.8Å; H248-Y250 AromaticContact CG-CE1 3.84Å; H248-Y250 AromaticContact CG-CZ 3.89Å; H248-Y250 AromaticContact ND1-CD1 3.33Å; H248-Y250 VanDerWaalsContact ND1-CD1 3.33Å; H248-Y250 WeakPolarHBondContact ND1-CD1 3.44Å; H248-Y250 AromaticContact ND1-CE1 3.12Å; H248-Y250 WeakPolarHBondContact ND1-CE1 3.48Å; H248-Y250 AromaticContact ND1-CG 3.88Å; H248-Y250 AromaticContact ND1-CZ 3.55Å
249	I	92	Very high	92.3	Very high	18 Å²	18	34 Å²	34	9%	0.092	16%	0.159	C	C	.	.			trans	-91	113.2	176.9	-58.6	178	0	0	0	108.1	A196 M212 Y564	A196-I249 HydrophobicContact CB-CD1 3.63Å; M212-I249 HydrophobicContact CE-CD1 4.44Å; M212-I249 HydrophobicContact CE-CG2 4.33Å; I249-Y564 HydrophobicContact CB-CE1 4.45Å; I249-Y564 HydrophobicContact CG2-CD1 3.86Å; I249-Y564 HydrophobicContact CG2-CE1 3.81Å
250	Y	92.2	Very high	90.8	Very high	45 Å²	45	34.6 Å²	34.6	18%	0.176	16%	0.164	C	C	.	.			trans	-90.3	127.9	178.7	-59.1	-75.5	0	0	0	110.5	H248 Y371 G372 E378 A381	H248-Y250 HydrophobicContact CB-CE1 4.32Å; H248-Y250 HydrophobicContact CB-CE2 4.15Å; H248-Y250 AromaticContact CE1-CD1 3.86Å; H248-Y250 AromaticContact CE1-CE1 3.8Å; H248-Y250 AromaticContact CG-CE1 3.84Å; H248-Y250 AromaticContact CG-CZ 3.89Å; H248-Y250 AromaticContact ND1-CD1 3.33Å; H248-Y250 VanDerWaalsContact ND1-CD1 3.33Å; H248-Y250 WeakPolarHBondContact ND1-CD1 3.44Å; H248-Y250 AromaticContact ND1-CE1 3.12Å; H248-Y250 WeakPolarHBondContact ND1-CE1 3.48Å; H248-Y250 AromaticContact ND1-CG 3.88Å; H248-Y250 AromaticContact ND1-CZ 3.55Å; Y250-Y371 VanDerWaalsContact CB-C 3.49Å; Y250-G372 VanDerWaalsContact CB-N 3.28Å; Y250-E378 HydrophobicContact CE1-CB 4.19Å; Y250-E378 WeakPolarHBondContact OH-CG 3.3Å; Y250-A381 HydrophobicContact CD1-CB 3.8Å; Y250-A381 HydrophobicContact CE1-CB 3.77Å
251	P	91.9	Very high	89.2	Confident	0 Å²	0	33.3 Å²	33.3	0%	0	16%	0.162	C	C	.	.			trans	-68.6	172.4	174.6	29.9	-35.3	0	0	0	111.7	Y253 Y254 S369 Y371 A562 S563 Y564	P251-Y253 VanDerWaalsContact C-N 3.34Å; P251-Y254 VanDerWaalsContact CD-CZ 3.49Å; P251-Y254 VanDerWaalsContact CD-OH 3.27Å; P251-Y254 WeakPolarHBondContact CD-OH 3.45Å; P251-Y254 HydrophobicContact CG-CD1 4.22Å; P251-Y254 HydrophobicContact CG-CD2 3.71Å; P251-Y254 HydrophobicContact CG-CE1 3.82Å; P251-Y254 HydrophobicContact CG-CE2 3.27Å; P251-Y254 HydrophobicContact CG-CG 4.17Å; P251-S369 WeakPolarHBondContact O-CB 3.45Å; P251-S369 PolarHBondContact O-OG 3.32Å; P251-Y371 WeakPolarHBondContact O-CA 3.37Å; P251-Y371 PolarHBondContact O-N 3.16Å; P251-Y371 VanDerWaalsContact O-N 3.09Å; P251-A562 HydrophobicContact CB-CB 3.8Å; P251-A562 HydrophobicContact CG-CB 3.75Å; P251-S563 WeakPolarHBondContact CB-O 3.37Å; P251-Y564 HydrophobicContact CB-CD1 3.85Å; P251-Y564 HydrophobicContact CB-CD2 4.31Å; P251-Y564 HydrophobicContact CB-CE1 3.85Å; P251-Y564 HydrophobicContact CB-CE2 4.34Å; P251-Y564 HydrophobicContact CB-CG 4.09Å; P251-Y564 HydrophobicContact CG-CE1 4.37Å
252	C	92.4	Very high	87.6	Confident	23 Å²	23	32.9 Å²	32.9	16%	0.155	16%	0.157	C	C	.	.	S	Bend	trans	-63.3	-43.9	166.3	-169.2	0	0	0	0	110.6	S369 K370 Y371 S563	C252-S369 VanDerWaalsContact C-OG 3.32Å; C252-S369 PolarHBondContact O-N 3.26Å; C252-S369 PolarHBondContact O-OG 2.96Å; C252-S369 VanDerWaalsContact O-OG 3.11Å; C252-K370 PolarHBondContact O-N 3.49Å; C252-Y371 HydrophobicContact CB-CE1 3.84Å; C252-Y371 HydrophobicContact CB-CE2 4.32Å; C252-S563 WeakPolarHBondContact CB-O 3.48Å; C252-S563 PolarHBondContact N-O 2.99Å
253	Y	93.5	Very high	85.9	Confident	37 Å²	37	32 Å²	32	15%	0.145	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.3	159.7	174.7	52.2	-91.6	0	0	0	112.4	P251 F257 H363 K367 S563	P251-Y253 VanDerWaalsContact C-N 3.34Å; Y253-F257 HydrophobicContact CD2-CE1 4.48Å; Y253-F257 HydrophobicContact CD2-CZ 4.01Å; Y253-F257 AromaticContact CE2-CE1 3.65Å; Y253-F257 HydrophobicContact CE2-CE1 3.65Å; Y253-F257 AromaticContact CE2-CZ 3.61Å; Y253-F257 HydrophobicContact CE2-CZ 3.61Å; Y253-H363 AromaticContact CE2-CD2 3.62Å; Y253-H363 AromaticContact CE2-NE2 3.6Å; Y253-H363 AromaticContact CZ-NE2 3.81Å; Y253-K367 CarbonylContact C-O 3.57Å; Y253-K367 WeakPolarHBondContact CA-O 3.27Å; Y253-K367 WeakPolarHBondContact CB-O 3.34Å; Y253-S563 PolarHBondContact N-O 3.03Å; Y253-S563 PolarHBondContact O-N 3.45Å; Y253-S563 PolarHBondContact OH-OG 2.89Å
254	Y	93.1	Very high	83.9	Confident	8 Å²	8	37.9 Å²	37.9	3%	0.031	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	149.5	167.6	-63.8	-96.1	0	0	0	109.8	P251 A366 K367 Y380 A381 V386 F560 A562	P251-Y254 VanDerWaalsContact CD-CZ 3.49Å; P251-Y254 VanDerWaalsContact CD-OH 3.27Å; P251-Y254 WeakPolarHBondContact CD-OH 3.45Å; P251-Y254 HydrophobicContact CG-CD1 4.22Å; P251-Y254 HydrophobicContact CG-CD2 3.71Å; P251-Y254 HydrophobicContact CG-CE1 3.82Å; P251-Y254 HydrophobicContact CG-CE2 3.27Å; P251-Y254 HydrophobicContact CG-CG 4.17Å; Y254-A366 PolarHBondContact O-N 3.44Å; Y254-K367 HydrophobicContact CD2-CB 4.47Å; Y254-K367 PolarHBondContact N-O 2.97Å; Y254-K367 PolarHBondContact O-N 3Å; Y254-K367 VanDerWaalsContact O-N 3.12Å; Y254-Y380 HydrophobicContact CD1-CE1 4.23Å; Y254-Y380 AromaticContact CD2-CD1 3.8Å; Y254-Y380 HydrophobicContact CD2-CD1 3.8Å; Y254-Y380 AromaticContact CD2-CE1 3.5Å; Y254-Y380 HydrophobicContact CD2-CE1 3.5Å; Y254-Y380 AromaticContact CE2-CD1 3.97Å; Y254-Y380 HydrophobicContact CE2-CD1 3.97Å; Y254-Y380 HydrophobicContact CE2-CE1 4.05Å; Y254-Y380 HydrophobicContact CG-CD1 4.34Å; Y254-Y380 AromaticContact CG-CE1 3.6Å; Y254-Y380 HydrophobicContact CG-CE1 3.6Å; Y254-A381 HydrophobicContact CE2-CB 4.32Å; Y254-A381 VanDerWaalsContact OH-CB 3.31Å; Y254-A381 WeakPolarHBondContact OH-CB 3.2Å; Y254-V386 HydrophobicContact CD1-CG1 3.87Å; Y254-V386 HydrophobicContact CE1-CG1 3.65Å; Y254-F560 HydrophobicContact CD1-CZ 4.48Å; Y254-A562 HydrophobicContact CD1-CB 3.85Å; Y254-A562 HydrophobicContact CE1-CB 3.92Å
255	G	92.9	Very high	81.8	Confident	0 Å²	0	34 Å²	34	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-177.1	-177.9	-178.8	0	0	0	0	0	114	F257 I364 F560 A561	G255-F257 VanDerWaalsContact C-CE2 3.49Å; G255-F257 VanDerWaalsContact O-CD2 3.25Å; G255-F257 WeakPolarHBondContact O-CD2 3.35Å; G255-F257 WeakPolarHBondContact O-CE2 3.5Å; G255-I364 CarbonylContact C-O 3.49Å; G255-I364 WeakPolarHBondContact CA-O 3.4Å; G255-F560 CarbonylContact O-C 3.51Å; G255-F560 WeakPolarHBondContact O-CA 3.41Å; G255-F560 VanDerWaalsContact O-CD2 3.27Å; G255-F560 WeakPolarHBondContact O-CD2 3.4Å; G255-A561 PolarHBondContact N-O 3.16Å; G255-A561 VanDerWaalsContact N-O 3.09Å; G255-A561 PolarHBondContact O-N 3.29Å
256	W	92	Very high	79.6	Confident	0 Å²	0	32 Å²	32	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	132.9	169.6	-63.7	-89.8	0	0	0	109.9	H363 I364 A366 F395 L415 V420 L424 W425 V558 T559 F560	W256-H363 CarbonylContact O-C 3.59Å; W256-H363 WeakPolarHBondContact O-CA 3.32Å; W256-H363 WeakPolarHBondContact O-CB 3.48Å; W256-I364 HydrophobicContact CB-CB 4.3Å; W256-I364 HydrophobicContact CB-CD1 4.18Å; W256-I364 HydrophobicContact CE3-CB 4.03Å; W256-I364 HydrophobicContact CE3-CG2 3.91Å; W256-I364 HydrophobicContact CZ3-CG2 4.31Å; W256-I364 PolarHBondContact N-O 2.89Å; W256-I364 PolarHBondContact O-N 3.34Å; W256-A366 HydrophobicContact CE3-CB 4.19Å; W256-A366 HydrophobicContact CH2-CB 3.95Å; W256-A366 HydrophobicContact CZ3-CB 3.56Å; W256-F395 AromaticContact CD1-CD2 3.66Å; W256-F395 AromaticContact NE1-CD2 3.41Å; W256-F395 AromaticContact NE1-CE2 3.95Å; W256-F395 AromaticContact NE1-CG 3.72Å; W256-L415 HydrophobicContact CD2-CD2 4.39Å; W256-L415 HydrophobicContact CE3-CD2 3.83Å; W256-L415 HydrophobicContact CH2-CD1 4.1Å; W256-L415 HydrophobicContact CH2-CD2 3.91Å; W256-L415 HydrophobicContact CZ2-CD2 4.47Å; W256-L415 HydrophobicContact CZ3-CD1 4.14Å; W256-L415 HydrophobicContact CZ3-CD2 3.55Å; W256-V420 HydrophobicContact CH2-CG1 4.4Å; W256-V420 HydrophobicContact CZ2-CG1 3.53Å; W256-L424 HydrophobicContact CH2-CB 4.16Å; W256-L424 HydrophobicContact CZ2-CB 3.89Å; W256-L424 HydrophobicContact CZ2-CD1 4.05Å; W256-W425 HydrophobicContact CH2-CE3 4.02Å; W256-W425 AromaticContact CZ3-CE3 3.66Å; W256-W425 HydrophobicContact CZ3-CE3 3.66Å; W256-W425 AromaticContact CZ3-CZ3 3.87Å; W256-W425 HydrophobicContact CZ3-CZ3 3.87Å; W256-V558 HydrophobicContact CB-CB 3.9Å; W256-V558 HydrophobicContact CB-CG2 3.67Å; W256-V558 HydrophobicContact CG-CG2 3.93Å; W256-T559 CarbonylContact C-O 3.06Å; W256-T559 WeakPolarHBondContact CA-O 3.5Å; W256-F560 AromaticContact CD2-CD2 3.98Å; W256-F560 HydrophobicContact CD2-CD2 3.98Å; W256-F560 AromaticContact CE2-CD2 3.69Å; W256-F560 HydrophobicContact CG-CD2 4.19Å; W256-F560 HydrophobicContact CZ2-CD2 4.08Å; W256-F560 HydrophobicContact CZ2-CE2 4.39Å; W256-F560 AromaticContact NE1-CD2 3.73Å
257	F	88.8	Confident	77.1	Confident	6 Å²	6	33.4 Å²	33.4	3%	0.026	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	149.8	-172.3	-58.4	-99.8	0	0	0	111.3	F209 Y253 G255 H363 T559 A561	F209-F257 HydrophobicContact CD1-CB 4.08Å; F209-F257 HydrophobicContact CD1-CD1 4.5Å; F209-F257 HydrophobicContact CD1-CG 4.2Å; F209-F257 HydrophobicContact CE1-CB 3.23Å; F209-F257 AromaticContact CE1-CD1 3.5Å; F209-F257 HydrophobicContact CE1-CD1 3.5Å; F209-F257 HydrophobicContact CE1-CD2 4.23Å; F209-F257 HydrophobicContact CE1-CE1 4.35Å; F209-F257 AromaticContact CE1-CG 3.42Å; F209-F257 HydrophobicContact CE1-CG 3.42Å; F209-F257 VanDerWaalsContact CE1-CG 3.42Å; F209-F257 HydrophobicContact CZ-CB 3.76Å; F209-F257 HydrophobicContact CZ-CD1 4.22Å; F209-F257 HydrophobicContact CZ-CG 4.28Å; Y253-F257 HydrophobicContact CD2-CE1 4.48Å; Y253-F257 HydrophobicContact CD2-CZ 4.01Å; Y253-F257 AromaticContact CE2-CE1 3.65Å; Y253-F257 HydrophobicContact CE2-CE1 3.65Å; Y253-F257 AromaticContact CE2-CZ 3.61Å; Y253-F257 HydrophobicContact CE2-CZ 3.61Å; G255-F257 VanDerWaalsContact C-CE2 3.49Å; G255-F257 VanDerWaalsContact O-CD2 3.25Å; G255-F257 WeakPolarHBondContact O-CD2 3.35Å; G255-F257 WeakPolarHBondContact O-CE2 3.5Å; F257-H363 HydrophobicContact CD1-CB 3.33Å; F257-H363 HydrophobicContact CE1-CB 3.67Å; F257-H363 AromaticContact CE1-CG 3.95Å; F257-H363 HydrophobicContact CG-CB 3.99Å; F257-T559 PolarHBondContact N-O 3.43Å; F257-T559 PolarHBondContact O-N 3.32Å; F257-A561 HydrophobicContact CD2-CB 3.78Å; F257-A561 HydrophobicContact CE2-CB 3.97Å; F257-A561 WeakPolarHBondContact CE2-O 3.32Å
258	W	85.1	Confident	74.7	Confident	0 Å²	0	38.7 Å²	38.7	0%	0	20%	0.202	C	C	.	.			trans	-102.5	107.5	165.7	-72.7	-99	0	0	0	109.7	V298 L301 I361 P362 I364 V397 V453 Y556 R557 V558	W258-V298 HydrophobicContact CB-CG2 3.31Å; W258-V298 HydrophobicContact CG-CG2 4.14Å; W258-L301 HydrophobicContact CD2-CD2 4.32Å; W258-L301 HydrophobicContact CE3-CD2 4.4Å; W258-L301 HydrophobicContact CH2-CD2 4.01Å; W258-L301 HydrophobicContact CZ2-CD2 3.91Å; W258-L301 HydrophobicContact CZ3-CD2 4.26Å; W258-I361 WeakPolarHBondContact O-CG2 3.48Å; W258-P362 HydrophobicContact CE3-CB 4.16Å; W258-P362 PolarHBondContact N-O 3.11Å; W258-I364 HydrophobicContact CH2-CD1 3.8Å; W258-I364 HydrophobicContact CH2-CG1 4.19Å; W258-I364 HydrophobicContact CZ3-CD1 4.01Å; W258-I364 HydrophobicContact CZ3-CG1 4.03Å; W258-V397 HydrophobicContact CH2-CG2 4.17Å; W258-V397 HydrophobicContact CZ2-CG2 3.98Å; W258-V453 HydrophobicContact CH2-CG2 3.68Å; W258-V453 HydrophobicContact CZ3-CG2 3.54Å; W258-Y556 HydrophobicContact CZ2-CG 4.17Å; W258-Y556 AromaticContact NE1-CD1 3.73Å; W258-R557 PolarHBondContact NE1-O 3.5Å; W258-V558 HydrophobicContact CD2-CG1 3.49Å; W258-V558 VanDerWaalsContact CD2-CG1 3.49Å; W258-V558 HydrophobicContact CE3-CG1 3.79Å; W258-V558 HydrophobicContact CG-CG1 4.13Å; W258-V558 HydrophobicContact CH2-CG1 3.65Å; W258-V558 HydrophobicContact CZ2-CG1 3.34Å; W258-V558 HydrophobicContact CZ3-CG1 3.86Å
259	P	68.3	Low	72.5	Confident	0 Å²	0	41.5 Å²	41.5	0%	0	22%	0.218	C	C	.	.	P	Polyproline II helix	trans	-74.3	147.6	-164.8	31.1	-37.3	0	0	0	115.2	W105 S109 F111 F209 P294	W105-P259 HydrophobicContact CE3-CG 3.54Å; W105-P259 HydrophobicContact CZ3-CG 3.75Å; S109-P259 WeakPolarHBondContact OG-CG 3.38Å; F111-P259 HydrophobicContact CE2-CB 3.97Å; F111-P259 HydrophobicContact CE2-CG 4.05Å; F111-P259 HydrophobicContact CZ-CB 4.29Å; F111-P259 HydrophobicContact CZ-CG 4.32Å; F209-P259 HydrophobicContact CD2-CB 3.27Å; F209-P259 HydrophobicContact CE2-CB 3.26Å; F209-P259 HydrophobicContact CG-CB 4.08Å; F209-P259 HydrophobicContact CZ-CB 3.98Å; P259-P294 HydrophobicContact CG-CB 3.67Å; P259-P294 HydrophobicContact CG-CG 4.14Å
260	A	65.3	Low	70.2	Confident	11 Å²	11	45.5 Å²	45.5	9%	0.091	24%	0.239	C	C	.	.	P	Polyproline II helix	trans	-70.3	143.6	-177.4	0	0	0	0	0	111	S109 R110 H207 I361	S109-A260 CarbonylContact C-O 3.48Å; S109-A260 WeakPolarHBondContact CA-O 3.47Å; S109-A260 WeakPolarHBondContact CB-O 3.47Å; R110-A260 PolarHBondContact N-O 3.31Å; H207-A260 HydrophobicContact CB-CB 4.37Å; A260-I361 HydrophobicContact CB-CD1 3.63Å; A260-I361 HydrophobicContact CB-CG1 4.31Å
261	P	64.4	Low	67.5	Low	50 Å²	50	49.5 Å²	49.5	33%	0.325	26%	0.263	S	S	.	.	P	Polyproline II helix	trans	-60.9	148.1	178.3	25	-34.2	0	0	0	112.3	R110 C295	R110-P261 WeakPolarHBondContact CG-O 3.35Å; R110-P261 PolarHBondContact NE-O 3.47Å; P261-C295 HydrophobicContact CB-CB 3.79Å; P261-C295 HydrophobicContact CG-CB 4.15Å; P261-C295 VanDerWaalsContact CG-SG 3.56Å
262	P	63.3	Low	64.7	Low	21 Å²	21	54 Å²	54	14%	0.136	29%	0.294	C	S	.	.			trans	-70.8	176	169.4	35.8	-34	0	0	0	109.2	K108 Y266	K108-P262 WeakPolarHBondContact O-CD 3.16Å; P262-Y266 HydrophobicContact CB-CD2 3.85Å; P262-Y266 HydrophobicContact CB-CE2 4.5Å; P262-Y266 HydrophobicContact CG-CD2 3.84Å; P262-Y266 HydrophobicContact CG-CG 4.33Å
263	S	61.3	Low	62	Low	29 Å²	29	59.3 Å²	59.3	20%	0.203	32%	0.321	C	S	.	.			trans	-60.1	160.5	167.8	53.8	0	0	0	0	111.2	S179 G180 T265 Y266	S179-S263 PolarHBondContact O-OG 2.78Å; G180-S263 PolarHBondContact O-OG 3.07Å; S263-T265 PolarHBondContact O-N 2.85Å; S263-T265 PolarHBondContact OG-OG1 3.12Å; S263-Y266 PolarHBondContact O-N 3.47Å
264	E	55.3	Low	58.9	Low	157 Å²	157	63.7 Å²	63.7	73%	0.734	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.5	-6	-176.9	-66.5	-176.7	171	0	0	115.2	Y266 S267	E264-Y266 PolarHBondContact O-N 3.02Å; E264-S267 WeakPolarHBondContact CA-OG 3.16Å; E264-S267 PolarHBondContact O-N 2.91Å; E264-S267 PolarHBondContact O-OG 3.01Å
265	T	51.3	Low	56	Low	92 Å²	92	67.8 Å²	67.8	56%	0.564	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.1	-28.6	-179.6	-39.7	0	0	0	0	112.8	S263	S263-T265 PolarHBondContact O-N 2.85Å; S263-T265 PolarHBondContact OG-OG1 3.12Å
266	Y	49.6	Very low	53	Low	33 Å²	33	74.5 Å²	74.5	13%	0.129	41%	0.412	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.2	-27.4	177.9	-79.5	-72.2	0	0	0	114.9	I107 M136 S182 P262 S263 E264 K268 L269	I107-Y266 HydrophobicContact CG2-CD1 3.58Å; I107-Y266 HydrophobicContact CG2-CE1 3.6Å; I107-Y266 HydrophobicContact CG2-CG 4.33Å; M136-Y266 HydrophobicContact CB-CE1 4.2Å; M136-Y266 WeakPolarHBondContact CB-OH 3.41Å; M136-Y266 HydrophobicContact CG-CE1 4.28Å; S182-Y266 WeakPolarHBondContact O-CE2 3.45Å; S182-Y266 VanDerWaalsContact O-CZ 3.24Å; S182-Y266 PolarHBondContact O-OH 2.71Å; P262-Y266 HydrophobicContact CB-CD2 3.85Å; P262-Y266 HydrophobicContact CB-CE2 4.5Å; P262-Y266 HydrophobicContact CG-CD2 3.84Å; P262-Y266 HydrophobicContact CG-CG 4.33Å; S263-Y266 PolarHBondContact O-N 3.47Å; E264-Y266 PolarHBondContact O-N 3.02Å; Y266-K268 PolarHBondContact O-N 3.32Å; Y266-L269 HydrophobicContact CD1-CD1 4.44Å; Y266-L269 PolarHBondContact O-N 2.73Å
267	S	42.5	Very low	50	Low	71 Å²	71	81.6 Å²	81.6	50%	0.497	45%	0.45	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.1	-17.4	-177.9	37.5	0	0	0	0	113.4	E264	E264-S267 WeakPolarHBondContact CA-OG 3.16Å; E264-S267 PolarHBondContact O-N 2.91Å; E264-S267 PolarHBondContact O-OG 3.01Å
268	K	44	Very low	47.3	Very low	162 Å²	162	89.1 Å²	89.1	70%	0.704	49%	0.489	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.7	-18.3	175.4	-71.3	-177.9	179.4	176.5	0	114.4	Y266	Y266-K268 PolarHBondContact O-N 3.32Å
269	L	44.5	Very low	45	Very low	109 Å²	109	95 Å²	95	57%	0.571	52%	0.524	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.1	-24.4	-176	-76.9	150.4	0	0	0	113.3	Y266 I271 S272	Y266-L269 HydrophobicContact CD1-CD1 4.44Å; Y266-L269 PolarHBondContact O-N 2.73Å; L269-I271 PolarHBondContact O-N 3.46Å; L269-S272 PolarHBondContact O-OG 3.31Å; L269-S272 VanDerWaalsContact O-OG 3.08Å
270	D	42.5	Very low	43.2	Very low	101 Å²	101	100.2 Å²	100.2	54%	0.54	56%	0.561	S	S	.	*	G	3₁₀ helix	trans	-75.8	-5.2	175.4	-87.7	-15.5	0	0	0	113.4	K108 S272	K108-D270 WeakPolarHBondContact CE-OD2 3.15Å; K108-D270 IonicContact NZ-OD1 2.93Å; K108-D270 IonicContact NZ-OD2 3.33Å; K108-D270 PolarHBondContact NZ-OD2 3.2Å; D270-S272 VanDerWaalsContact C-N 3.28Å; D270-S272 PolarHBondContact O-N 2.89Å
271	I	36.4	Very low	41.8	Very low	130 Å²	130	111.1 Å²	111.1	67%	0.667	60%	0.599	S	S	*	*	G	3₁₀ helix	trans	-87.4	5.1	-179.7	-63.9	166.9	0	0	0	112.1	L269	L269-I271 PolarHBondContact O-N 3.46Å
272	S	33	Very low	40.5	Very low	95 Å²	95	114.9 Å²	114.9	66%	0.664	62%	0.624	S	S	*	*	G	3₁₀ helix	trans	-99.6	4.9	-179.9	63.3	0	0	0	0	115.7	L269 D270 N274	L269-S272 PolarHBondContact O-OG 3.31Å; L269-S272 VanDerWaalsContact O-OG 3.08Å; D270-S272 VanDerWaalsContact C-N 3.28Å; D270-S272 PolarHBondContact O-N 2.89Å; S272-N274 PolarHBondContact O-N 2.83Å
273	D	34.6	Very low	39.1	Very low	134 Å²	134	118.9 Å²	118.9	72%	0.717	66%	0.659	S	S	*	*			trans	-79.3	63	165.6	-158.8	-3.2	0	0	0	110.5	S275	D273-S275 PolarHBondContact O-N 2.76Å; D273-S275 PolarHBondContact OD1-OG 2.86Å
274	N	29.3	Very low	37.9	Very low	128 Å²	128	127 Å²	127	68%	0.684	69%	0.69	S	S	*	*			trans	-74.3	71.5	164.1	-87.4	-20.2	0	0	0	108.6	S272 L276	S272-N274 PolarHBondContact O-N 2.83Å; N274-L276 PolarHBondContact O-N 2.79Å
275	S	31.4	Very low	36.8	Very low	95 Å²	95	131.5 Å²	131.5	66%	0.664	70%	0.701	S	S	*	*			trans	-86.8	55	154.9	45.3	0	0	0	0	109.9	D273 D277	D273-S275 PolarHBondContact O-N 2.76Å; D273-S275 PolarHBondContact OD1-OG 2.86Å; S275-D277 VanDerWaalsContact C-N 3.25Å; S275-D277 PolarHBondContact O-N 3.26Å
276	L	29.9	Very low	35.9	Very low	141 Å²	141	138.8 Å²	138.8	74%	0.738	72%	0.718	S	S	*	*			trans	-75.9	83.9	154.8	-88.3	145.7	0	0	0	106.3	N274	N274-L276 PolarHBondContact O-N 2.79Å
277	D	29.3	Very low	35.2	Very low	148 Å²	148	146 Å²	146	79%	0.791	75%	0.75	S	S	*	*			trans	173.1	122.7	151.6	-88.2	-26.4	0	0	0	109.4	S275	S275-D277 VanDerWaalsContact C-N 3.25Å; S275-D277 PolarHBondContact O-N 3.26Å
278	I	33.3	Very low	34.8	Very low	164 Å²	164	149 Å²	149	84%	0.841	77%	0.771	S	S	*	*			trans	158.8	88.2	146.7	-75.6	153.6	0	0	0	108.5
279	V	35.6	Very low	34.4	Very low	124 Å²	124	144.6 Å²	144.6	75%	0.752	76%	0.761	S	S	*	*				20.5	105.4	129.2	-172.8	0	0	0	0	116.9
280	S	31.5	Very low	34.7	Very low	109 Å²	109	145.5 Å²	145.5	76%	0.762	77%	0.765	S	S	*	*			trans	26.6	89.9	143.1	47.2	0	0	0	0	119.3
281	R	35	Very low	35.4	Very low	240 Å²	240	145 Å²	145	91%	0.906	76%	0.759	S	S	*	*			trans	-143.7	144.7	150.5	-75.7	-167.4	171	174.4	-3.3	111.6
282	P	36.5	Very low	37	Very low	129 Å²	129	140 Å²	140	84%	0.838	74%	0.736	S	S	*	*			trans	-74.3	146.3	-168.1	28.1	-28.8	0	0	0	112.5	K284	P282-K284 PolarHBondContact O-N 3.49Å
283	A	33.6	Very low	39.2	Very low	106 Å²	106	138 Å²	138	88%	0.876	72%	0.718	S	S	*	*			trans	-56.2	112	-168.5	0	0	0	0	0	114.4
284	K	37.6	Very low	41.5	Very low	198 Å²	198	131.7 Å²	131.7	86%	0.861	68%	0.684	S	S	*	*			trans	-89.1	121.8	148.1	-75	-174.2	178.4	179.9	0	107.5	P282 R286	P282-K284 PolarHBondContact O-N 3.49Å; K284-R286 PolarHBondContact O-N 2.8Å
285	R	32.6	Very low	44	Very low	253 Å²	253	126.8 Å²	126.8	96%	0.955	66%	0.659	S	S	*	*			trans	-35.5	99.4	173	-82.3	172.9	155.7	164.6	-6.9	111.4	K287	R285-K287 PolarHBondContact O-N 3.3Å
286	R	30.9	Very low	46.4	Very low	244 Å²	244	126.4 Å²	126.4	92%	0.921	65%	0.648	S	S	*	*			trans	-70.4	114.1	162.6	-84.9	-176.6	169.5	167.2	-3.4	106.3	K284 S288	K284-R286 PolarHBondContact O-N 2.8Å; R286-S288 PolarHBondContact O-N 3Å
287	K	34.9	Very low	49.2	Very low	184 Å²	184	120.5 Å²	120.5	80%	0.8	62%	0.617	S	S	*	*			trans	-51.3	124.7	167.9	-77.7	177.8	173.9	178.2	0	107.2	R285 S289	R285-K287 PolarHBondContact O-N 3.3Å; K287-S289 PolarHBondContact O-N 3.13Å
288	S	33.9	Very low	52	Low	134 Å²	134	113.6 Å²	113.6	94%	0.937	58%	0.58	S	S	*	*			trans	-68.4	71.2	167.9	57.6	0	0	0	0	108.8	R286	R286-S288 PolarHBondContact O-N 3Å
289	S	37.2	Very low	54.7	Low	71 Å²	71	109 Å²	109	50%	0.497	56%	0.557	S	S	.	*			trans	-125.4	128.7	163.8	58.3	0	0	0	0	102.4	K287	K287-S289 PolarHBondContact O-N 3.13Å
290	I	50.7	Low	57.3	Low	128 Å²	128	109.6 Å²	109.6	66%	0.656	55%	0.546	S	S	*	.	S	Bend		-159	-7.4	83.4	-92.5	145.8	0	0	0	114.6
291	H	57	Low	60.2	Low	91 Å²	91	104.4 Å²	104.4	42%	0.421	51%	0.509	S	S	.	.			trans	-147.9	111.7	174.3	-61.8	-55.6	0	0	0	113.9	N104	N104-H291 PolarHBondContact ND2-CD2 3.32Å; N104-H291 PolarHBondContact ND2-CE1 3.04Å; N104-H291 PolarHBondContact ND2-ND1 3.4Å; N104-H291 VanDerWaalsContact ND2-ND1 3.18Å; N104-H291 PolarHBondContact ND2-NE2 3.23Å
292	S	70	Confident	63.1	Low	25 Å²	25	93.2 Å²	93.2	18%	0.175	47%	0.468	C	S	.	.			trans	-69.3	128.8	171.1	59.8	0	0	0	0	110.3	W105 P294	W105-S292 WeakPolarHBondContact CZ2-OG 3.17Å; W105-S292 PolarHBondContact NE1-O 3.18Å; W105-S292 PolarHBondContact NE1-OG 3.05Å; S292-P294 WeakPolarHBondContact O-CD 3.38Å
293	N	79.3	Confident	65.8	Low	53 Å²	53	92.8 Å²	92.8	28%	0.283	45%	0.452	S	S	.	.			trans	-78	119.9	171.1	179.8	-39	0	0	0	108.8	C295 M296 E297	N293-C295 VanDerWaalsContact C-N 3.3Å; N293-C295 PolarHBondContact O-N 3.43Å; N293-C295 WeakPolarHBondContact OD1-CB 3.31Å; N293-C295 PolarHBondContact OD1-N 3Å; N293-M296 HydrophobicContact CB-CB 4.04Å; N293-M296 HydrophobicContact CB-CG 3.79Å; N293-M296 WeakPolarHBondContact O-CB 3.39Å; N293-M296 PolarHBondContact O-N 2.99Å; N293-E297 WeakPolarHBondContact O-CG 3.34Å; N293-E297 PolarHBondContact O-N 3.39Å
294	P	82.5	Confident	68.7	Low	0 Å²	0	89 Å²	89	0%	0	42%	0.416	C	S	.	.	H	α-helix	trans	-56.8	-41	-174	-21.7	30	0	0	0	113.8	W105 S109 P259 S292 M296 E297 V298	W105-P294 HydrophobicContact CB-CG 4.11Å; W105-P294 HydrophobicContact CD2-CB 4.16Å; W105-P294 HydrophobicContact CD2-CG 3.48Å; W105-P294 VanDerWaalsContact CD2-CG 3.48Å; W105-P294 HydrophobicContact CE3-CB 4.04Å; W105-P294 HydrophobicContact CE3-CG 3.8Å; W105-P294 HydrophobicContact CG-CG 3.68Å; W105-P294 HydrophobicContact CH2-CB 4.07Å; W105-P294 HydrophobicContact CH2-CG 4.37Å; W105-P294 HydrophobicContact CZ2-CB 4.21Å; W105-P294 HydrophobicContact CZ2-CG 4.12Å; W105-P294 HydrophobicContact CZ3-CB 4.07Å; W105-P294 HydrophobicContact CZ3-CG 4.29Å; S109-P294 WeakPolarHBondContact OG-CB 3.5Å; S109-P294 WeakPolarHBondContact OG-CG 3.42Å; P259-P294 HydrophobicContact CG-CB 3.67Å; P259-P294 HydrophobicContact CG-CG 4.14Å; S292-P294 WeakPolarHBondContact O-CD 3.38Å; P294-M296 VanDerWaalsContact C-N 3.33Å; P294-M296 PolarHBondContact O-N 2.93Å; P294-E297 WeakPolarHBondContact O-CB 3.33Å; P294-E297 PolarHBondContact O-N 2.84Å; P294-V298 WeakPolarHBondContact O-CG2 3.44Å; P294-V298 PolarHBondContact O-N 2.84Å
295	C	80.7	Confident	71.5	Confident	25 Å²	25	79.6 Å²	79.6	17%	0.169	38%	0.375	C	S	.	.	H	α-helix	trans	-64.3	-38.9	177.8	179.6	0	0	0	0	111.8	P261 N293 E297 V298 N299	P261-C295 HydrophobicContact CB-CB 3.79Å; P261-C295 HydrophobicContact CG-CB 4.15Å; P261-C295 VanDerWaalsContact CG-SG 3.56Å; N293-C295 VanDerWaalsContact C-N 3.3Å; N293-C295 PolarHBondContact O-N 3.43Å; N293-C295 WeakPolarHBondContact OD1-CB 3.31Å; N293-C295 PolarHBondContact OD1-N 3Å; C295-E297 VanDerWaalsContact C-N 3.32Å; C295-E297 PolarHBondContact O-N 2.75Å; C295-V298 PolarHBondContact O-N 2.66Å; C295-N299 WeakPolarHBondContact O-CB 3.3Å; C295-N299 PolarHBondContact O-N 3.3Å; C295-N299 PolarHBondContact O-ND2 3.33Å
296	M	83.5	Confident	74.6	Confident	88 Å²	88	68.9 Å²	68.9	43%	0.433	33%	0.334	S	S	.	.	H	α-helix	trans	-65.8	-37.1	174.9	-65.6	-60.5	-61.4	0	0	111.7	N293 P294 R300	N293-M296 HydrophobicContact CB-CB 4.04Å; N293-M296 HydrophobicContact CB-CG 3.79Å; N293-M296 WeakPolarHBondContact O-CB 3.39Å; N293-M296 PolarHBondContact O-N 2.99Å; P294-M296 VanDerWaalsContact C-N 3.33Å; P294-M296 PolarHBondContact O-N 2.93Å; M296-R300 VanDerWaalsContact O-CB 3.31Å; M296-R300 WeakPolarHBondContact O-CB 3.42Å; M296-R300 WeakPolarHBondContact O-CD 3.35Å; M296-R300 WeakPolarHBondContact O-CG 3.42Å; M296-R300 PolarHBondContact O-N 2.87Å
297	E	87.1	Confident	77.7	Confident	16 Å²	16	60.5 Å²	60.5	8%	0.075	31%	0.308	C	S	.	.	H	α-helix	trans	-63.3	-45.5	174.7	-63.3	-63.8	135.9	0	0	111.3	N293 P294 C295 R300 L301 Y556	N293-E297 WeakPolarHBondContact O-CG 3.34Å; N293-E297 PolarHBondContact O-N 3.39Å; P294-E297 WeakPolarHBondContact O-CB 3.33Å; P294-E297 PolarHBondContact O-N 2.84Å; C295-E297 VanDerWaalsContact C-N 3.32Å; C295-E297 PolarHBondContact O-N 2.75Å; E297-R300 PolarHBondContact O-N 3.31Å; E297-R300 IonicContact OE1-NH1 3.11Å; E297-R300 PolarHBondContact OE1-NH1 2.8Å; E297-R300 VanDerWaalsContact OE1-NH1 3.12Å; E297-L301 WeakPolarHBondContact O-CB 3.46Å; E297-L301 PolarHBondContact O-N 2.81Å; E297-Y556 HydrophobicContact CB-CD1 4.29Å; E297-Y556 WeakPolarHBondContact O-CE1 3.49Å; E297-Y556 VanDerWaalsContact OE2-CD1 3.27Å; E297-Y556 WeakPolarHBondContact OE2-CD1 3.46Å
298	V	88.7	Confident	80.6	Confident	3 Å²	3	52.4 Å²	52.4	2%	0.018	27%	0.274	C	S	.	.	H	α-helix	trans	-57.3	-53.9	174.6	178.5	0	0	0	0	111.1	W258 P294 C295 R300 L301 L302 P347 P362	W258-V298 HydrophobicContact CB-CG2 3.31Å; W258-V298 HydrophobicContact CG-CG2 4.14Å; P294-V298 WeakPolarHBondContact O-CG2 3.44Å; P294-V298 PolarHBondContact O-N 2.84Å; C295-V298 PolarHBondContact O-N 2.66Å; V298-R300 VanDerWaalsContact C-N 3.29Å; V298-R300 PolarHBondContact O-N 3.17Å; V298-L301 WeakPolarHBondContact O-CB 3.29Å; V298-L301 PolarHBondContact O-N 3.14Å; V298-L301 VanDerWaalsContact O-N 3.13Å; V298-L302 HydrophobicContact CG1-CD1 3.8Å; V298-L302 HydrophobicContact CG1-CG 4.31Å; V298-L302 WeakPolarHBondContact O-CG 3.38Å; V298-L302 PolarHBondContact O-N 2.96Å; V298-P347 HydrophobicContact CG1-CG 4.11Å; V298-P362 HydrophobicContact CG1-CG 4.14Å
299	N	89.1	Confident	83.6	Confident	68 Å²	68	46 Å²	46	36%	0.364	23%	0.229	S	C	.	.	H	α-helix	trans	-63.7	-36.9	-175.9	-71.5	-27.1	0	0	0	111.7	C295 K303	C295-N299 WeakPolarHBondContact O-CB 3.3Å; C295-N299 PolarHBondContact O-N 3.3Å; C295-N299 PolarHBondContact O-ND2 3.33Å; N299-K303 WeakPolarHBondContact O-CB 3.43Å; N299-K303 PolarHBondContact O-N 2.78Å
300	R	90.9	Very high	86.4	Confident	136 Å²	136	44.1 Å²	44.1	51%	0.513	21%	0.213	S	C	.	.	H	α-helix	trans	-62.9	-44.9	173.4	-77	170.5	-176.7	164.6	-0.1	111.9	M296 E297 V298 W304 Y556	M296-R300 VanDerWaalsContact O-CB 3.31Å; M296-R300 WeakPolarHBondContact O-CB 3.42Å; M296-R300 WeakPolarHBondContact O-CD 3.35Å; M296-R300 WeakPolarHBondContact O-CG 3.42Å; M296-R300 PolarHBondContact O-N 2.87Å; E297-R300 PolarHBondContact O-N 3.31Å; E297-R300 IonicContact OE1-NH1 3.11Å; E297-R300 PolarHBondContact OE1-NH1 2.8Å; E297-R300 VanDerWaalsContact OE1-NH1 3.12Å; V298-R300 VanDerWaalsContact C-N 3.29Å; V298-R300 PolarHBondContact O-N 3.17Å; R300-W304 VanDerWaalsContact O-CB 3.23Å; R300-W304 WeakPolarHBondContact O-CB 3.21Å; R300-W304 PolarHBondContact O-N 2.87Å; R300-Y556 HydrophobicContact CB-CE1 4.25Å
301	L	93.6	Very high	88.6	Confident	0 Å²	0	40.9 Å²	40.9	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-61.3	-51.8	178.9	176.2	64.9	0	0	0	111.5	W258 E297 V298 W304 G305 P362 I399 V453 M455 Y556	W258-L301 HydrophobicContact CD2-CD2 4.32Å; W258-L301 HydrophobicContact CE3-CD2 4.4Å; W258-L301 HydrophobicContact CH2-CD2 4.01Å; W258-L301 HydrophobicContact CZ2-CD2 3.91Å; W258-L301 HydrophobicContact CZ3-CD2 4.26Å; E297-L301 WeakPolarHBondContact O-CB 3.46Å; E297-L301 PolarHBondContact O-N 2.81Å; V298-L301 WeakPolarHBondContact O-CB 3.29Å; V298-L301 PolarHBondContact O-N 3.14Å; V298-L301 VanDerWaalsContact O-N 3.13Å; L301-W304 HydrophobicContact CD1-CE3 4.12Å; L301-W304 HydrophobicContact CD1-CZ3 4.31Å; L301-W304 PolarHBondContact O-N 3.37Å; L301-G305 PolarHBondContact O-N 3.33Å; L301-P362 HydrophobicContact CD2-CB 4.43Å; L301-I399 HydrophobicContact CD1-CD1 4.02Å; L301-I399 HydrophobicContact CD1-CG1 3.82Å; L301-V453 HydrophobicContact CD2-CG1 4.43Å; L301-M455 HydrophobicContact CD1-CE 3.78Å; L301-M455 HydrophobicContact CD2-CE 4.4Å; L301-M455 HydrophobicContact CG-CE 3.77Å; L301-Y556 WeakPolarHBondContact CA-OH 3.44Å; L301-Y556 HydrophobicContact CB-CD1 4.39Å; L301-Y556 HydrophobicContact CB-CE1 3.73Å; L301-Y556 HydrophobicContact CD1-CE2 4.19Å
302	L	94.5	Very high	90.5	Very high	5 Å²	5	36.6 Å²	36.6	3%	0.026	18%	0.18	C	C	.	.	H	α-helix	trans	-66.9	-45.4	-177.5	-63.3	177	0	0	0	111.3	V298 W304 G305 W306 T345 P347 F349 P362	V298-L302 HydrophobicContact CG1-CD1 3.8Å; V298-L302 HydrophobicContact CG1-CG 4.31Å; V298-L302 WeakPolarHBondContact O-CG 3.38Å; V298-L302 PolarHBondContact O-N 2.96Å; L302-W304 VanDerWaalsContact C-N 3.33Å; L302-W304 PolarHBondContact O-N 2.87Å; L302-G305 PolarHBondContact O-N 3.32Å; L302-W306 WeakPolarHBondContact O-CB 2.85Å; L302-W306 PolarHBondContact O-N 3.21Å; L302-T345 HydrophobicContact CD2-CG2 4.02Å; L302-P347 HydrophobicContact CD1-CG 3.87Å; L302-P347 VanDerWaalsContact CD1-O 3.3Å; L302-P347 WeakPolarHBondContact CD1-O 3.35Å; L302-F349 HydrophobicContact CB-CD2 4.28Å; L302-F349 HydrophobicContact CD2-CB 4.42Å; L302-F349 HydrophobicContact CD2-CD2 3.85Å; L302-F349 WeakPolarHBondContact O-CE2 3.13Å; L302-P362 HydrophobicContact CD1-CG 4.22Å; L302-P362 HydrophobicContact CD2-CG 3.94Å; L302-P362 HydrophobicContact CG-CG 4.32Å
303	K	94.2	Very high	91.8	Very high	120 Å²	120	35.4 Å²	35.4	52%	0.522	17%	0.171	S	C	.	.	H	α-helix	trans	-58.5	-44.6	175.6	179	166	176.6	45.4	0	112.1	N299 W306 D307	N299-K303 WeakPolarHBondContact O-CB 3.43Å; N299-K303 PolarHBondContact O-N 2.78Å; K303-W306 PolarHBondContact O-N 3.11Å; K303-D307 WeakPolarHBondContact CE-OD2 3.22Å; K303-D307 IonicContact NZ-OD1 3.7Å; K303-D307 PolarHBondContact NZ-OD1 3.38Å; K303-D307 IonicContact NZ-OD2 2.71Å; K303-D307 PolarHBondContact NZ-OD2 3.32Å; K303-D307 WeakPolarHBondContact O-CB 3.29Å; K303-D307 PolarHBondContact O-N 3.45Å
304	W	94.8	Very high	92.6	Very high	28 Å²	28	38.8 Å²	38.8	11%	0.106	19%	0.186	C	C	.	.	H	α-helix	trans	-58.7	-50.4	176.6	161.3	73.3	0	0	0	111.4	R300 L301 L302 W306 D307 V308 I399 L402 A411 M455 Y548 L550	R300-W304 VanDerWaalsContact O-CB 3.23Å; R300-W304 WeakPolarHBondContact O-CB 3.21Å; R300-W304 PolarHBondContact O-N 2.87Å; L301-W304 HydrophobicContact CD1-CE3 4.12Å; L301-W304 HydrophobicContact CD1-CZ3 4.31Å; L301-W304 PolarHBondContact O-N 3.37Å; L302-W304 VanDerWaalsContact C-N 3.33Å; L302-W304 PolarHBondContact O-N 2.87Å; W304-W306 VanDerWaalsContact C-N 3.29Å; W304-W306 PolarHBondContact O-N 3.45Å; W304-D307 PolarHBondContact O-N 2.9Å; W304-V308 HydrophobicContact CZ2-CG2 4.43Å; W304-V308 WeakPolarHBondContact O-CB 3.13Å; W304-V308 VanDerWaalsContact O-CG2 3.31Å; W304-V308 WeakPolarHBondContact O-CG2 3.18Å; W304-V308 PolarHBondContact O-N 3.09Å; W304-I399 HydrophobicContact CE3-CG2 4.34Å; W304-I399 HydrophobicContact CH2-CG2 3.44Å; W304-I399 VanDerWaalsContact CH2-CG2 3.44Å; W304-I399 HydrophobicContact CZ2-CG2 4.24Å; W304-I399 HydrophobicContact CZ3-CG2 3.51Å; W304-L402 HydrophobicContact CH2-CB 4.39Å; W304-A411 HydrophobicContact CZ3-CB 4.15Å; W304-M455 HydrophobicContact CE3-CE 4.48Å; W304-M455 HydrophobicContact CZ3-CE 4.22Å; W304-Y548 HydrophobicContact CZ2-CD1 4.22Å; W304-Y548 HydrophobicContact CZ2-CE1 4.05Å; W304-L550 HydrophobicContact CH2-CD1 4.47Å; W304-L550 HydrophobicContact CZ2-CD1 3.81Å; W304-L550 HydrophobicContact CZ2-CD2 4.17Å; W304-L550 HydrophobicContact CZ2-CG 4.14Å
305	G	96.2	Very high	93.3	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-63.9	-36.3	-179.2	0	0	0	0	0	112.2	L301 L302 L309 F349	L301-G305 PolarHBondContact O-N 3.33Å; L302-G305 PolarHBondContact O-N 3.32Å; G305-L309 WeakPolarHBondContact O-CB 3.17Å; G305-L309 PolarHBondContact O-N 3.34Å; G305-F349 VanDerWaalsContact C-CE2 3.45Å
306	W	96.5	Very high	93.9	Very high	28 Å²	28	44.6 Å²	44.6	11%	0.106	22%	0.22	C	C	.	.	H	α-helix	trans	-65	-49.1	175.7	-178.5	-111.2	0	0	0	112.9	L302 K303 W304 V308 L309 N310 I338 F349 T351 L353	L302-W306 WeakPolarHBondContact O-CB 2.85Å; L302-W306 PolarHBondContact O-N 3.21Å; K303-W306 PolarHBondContact O-N 3.11Å; W304-W306 VanDerWaalsContact C-N 3.29Å; W304-W306 PolarHBondContact O-N 3.45Å; W306-V308 VanDerWaalsContact C-N 3.27Å; W306-V308 PolarHBondContact O-N 3.01Å; W306-L309 HydrophobicContact CE3-CD2 4.24Å; W306-L309 HydrophobicContact CZ3-CD2 4.21Å; W306-L309 PolarHBondContact O-N 3.25Å; W306-N310 PolarHBondContact NE1-ND2 3.03Å; W306-N310 PolarHBondContact O-N 3.43Å; W306-N310 PolarHBondContact O-ND2 3.05Å; W306-I338 HydrophobicContact CH2-CD1 4.29Å; W306-I338 HydrophobicContact CH2-CG2 3.73Å; W306-I338 HydrophobicContact CZ3-CG2 3.98Å; W306-F349 HydrophobicContact CB-CE2 4.44Å; W306-F349 WeakPolarHBondContact CB-O 3.38Å; W306-F349 HydrophobicContact CE3-CD1 4.36Å; W306-F349 HydrophobicContact CE3-CE1 4.4Å; W306-T351 WeakPolarHBondContact CH2-O 3.08Å; W306-T351 WeakPolarHBondContact CZ2-O 3.28Å; W306-L353 HydrophobicContact CE3-CD1 4.4Å; W306-L353 HydrophobicContact CH2-CD1 4.3Å; W306-L353 HydrophobicContact CH2-CG 4.03Å; W306-L353 HydrophobicContact CZ3-CD1 3.62Å; W306-L353 HydrophobicContact CZ3-CG 3.86Å
307	D	96.1	Very high	94.4	Very high	68 Å²	68	42.4 Å²	42.4	36%	0.364	22%	0.221	S	C	.	.	H	α-helix	trans	-62.1	-39.1	179.3	-66.8	-14.1	0	0	0	110.2	K303 W304 T311	K303-D307 WeakPolarHBondContact CE-OD2 3.22Å; K303-D307 IonicContact NZ-OD1 3.7Å; K303-D307 PolarHBondContact NZ-OD1 3.38Å; K303-D307 IonicContact NZ-OD2 2.71Å; K303-D307 PolarHBondContact NZ-OD2 3.32Å; K303-D307 WeakPolarHBondContact O-CB 3.29Å; K303-D307 PolarHBondContact O-N 3.45Å; W304-D307 PolarHBondContact O-N 2.9Å; D307-T311 WeakPolarHBondContact O-CB 3.42Å; D307-T311 PolarHBondContact O-N 3.03Å; D307-T311 VanDerWaalsContact O-N 3.14Å; D307-T311 PolarHBondContact O-OG1 3.2Å
308	V	96.3	Very high	94.9	Very high	13 Å²	13	41.7 Å²	41.7	8%	0.079	22%	0.218	C	C	.	.	H	α-helix	trans	-65.6	-46.3	174.8	167.7	0	0	0	0	111.8	W304 W306 N310 T311 I312 L402 Y548	W304-V308 HydrophobicContact CZ2-CG2 4.43Å; W304-V308 WeakPolarHBondContact O-CB 3.13Å; W304-V308 VanDerWaalsContact O-CG2 3.31Å; W304-V308 WeakPolarHBondContact O-CG2 3.18Å; W304-V308 PolarHBondContact O-N 3.09Å; W306-V308 VanDerWaalsContact C-N 3.27Å; W306-V308 PolarHBondContact O-N 3.01Å; V308-N310 PolarHBondContact O-N 3.05Å; V308-T311 PolarHBondContact O-N 3.3Å; V308-I312 HydrophobicContact CG1-CD1 3.61Å; V308-I312 HydrophobicContact CG1-CG1 4.37Å; V308-I312 VanDerWaalsContact O-CG1 3.3Å; V308-I312 WeakPolarHBondContact O-CG1 3.4Å; V308-I312 PolarHBondContact O-N 3.12Å; V308-L402 HydrophobicContact CG1-CD2 3.99Å; V308-Y548 HydrophobicContact CG1-CD1 3.48Å; V308-Y548 VanDerWaalsContact CG1-CD1 3.48Å; V308-Y548 HydrophobicContact CG1-CE1 3.85Å; V308-Y548 HydrophobicContact CG1-CG 3.87Å; V308-Y548 HydrophobicContact CG2-CD1 4.26Å; V308-Y548 HydrophobicContact CG2-CE1 3.8Å
309	L	96.8	Very high	95.3	Very high	1 Å²	1	43.1 Å²	43.1	1%	0.005	22%	0.224	C	C	.	.	H	α-helix	trans	-57.1	-51.1	179	177	66.6	0	0	0	111.3	G305 W306 T311 I312 I313 F349 I404 I409	G305-L309 WeakPolarHBondContact O-CB 3.17Å; G305-L309 PolarHBondContact O-N 3.34Å; W306-L309 HydrophobicContact CE3-CD2 4.24Å; W306-L309 HydrophobicContact CZ3-CD2 4.21Å; W306-L309 PolarHBondContact O-N 3.25Å; L309-T311 VanDerWaalsContact C-N 3.33Å; L309-T311 PolarHBondContact O-N 3.1Å; L309-I312 PolarHBondContact O-N 3.08Å; L309-I312 VanDerWaalsContact O-N 3.15Å; L309-I313 HydrophobicContact CD1-CD1 3.73Å; L309-I313 HydrophobicContact CD1-CG1 4.16Å; L309-I313 HydrophobicContact CD2-CD1 4.42Å; L309-I313 HydrophobicContact CG-CD1 3.79Å; L309-I313 HydrophobicContact CG-CG1 4.48Å; L309-I313 WeakPolarHBondContact O-CG1 3.4Å; L309-I313 PolarHBondContact O-N 2.89Å; L309-F349 HydrophobicContact CD2-CE1 4.02Å; L309-I404 HydrophobicContact CD1-CD1 3.65Å; L309-I404 HydrophobicContact CD1-CG1 4.02Å; L309-I404 HydrophobicContact CD1-CG2 4.34Å; L309-I409 HydrophobicContact CD1-CD1 3.66Å; L309-I409 HydrophobicContact CD2-CD1 3.61Å; L309-I409 HydrophobicContact CG-CD1 4.27Å
310	N	96.1	Very high	95.6	Very high	31 Å²	31	46 Å²	46	17%	0.166	23%	0.23	C	C	.	.	H	α-helix	trans	-58.2	-47	178.8	-78.6	-83.2	0	0	0	111.1	W306 V308 I312 I313 E314 I338	W306-N310 PolarHBondContact NE1-ND2 3.03Å; W306-N310 PolarHBondContact O-N 3.43Å; W306-N310 PolarHBondContact O-ND2 3.05Å; V308-N310 PolarHBondContact O-N 3.05Å; N310-I312 VanDerWaalsContact C-N 3.27Å; N310-I312 PolarHBondContact O-N 3.1Å; N310-I313 PolarHBondContact O-N 3.39Å; N310-E314 WeakPolarHBondContact O-CB 3.42Å; N310-E314 WeakPolarHBondContact O-CG 3.47Å; N310-E314 PolarHBondContact O-N 3.08Å; N310-I338 WeakPolarHBondContact OD1-CD1 2.96Å
311	T	96.8	Very high	95.8	Very high	59 Å²	59	41.9 Å²	41.9	36%	0.362	22%	0.217	S	C	.	.	H	α-helix	trans	-57.9	-39	177.5	-55.6	0	0	0	0	112.1	D307 V308 L309 I489	D307-T311 WeakPolarHBondContact O-CB 3.42Å; D307-T311 PolarHBondContact O-N 3.03Å; D307-T311 VanDerWaalsContact O-N 3.14Å; D307-T311 PolarHBondContact O-OG1 3.2Å; V308-T311 PolarHBondContact O-N 3.3Å; L309-T311 VanDerWaalsContact C-N 3.33Å; L309-T311 PolarHBondContact O-N 3.1Å; T311-I489 HydrophobicContact CG2-CB 4.17Å; T311-I489 HydrophobicContact CG2-CD1 4.17Å; T311-I489 HydrophobicContact CG2-CG2 4.11Å
312	I	97.3	Very high	95.9	Very high	1 Å²	1	42.3 Å²	42.3	1%	0.005	22%	0.22	C	C	.	.	H	α-helix	trans	-72	-43.4	179.8	-70.2	169.8	0	0	0	111.2	V308 L309 N310 E314 L315 V318 I404 I489 V494 Y548	V308-I312 HydrophobicContact CG1-CD1 3.61Å; V308-I312 HydrophobicContact CG1-CG1 4.37Å; V308-I312 VanDerWaalsContact O-CG1 3.3Å; V308-I312 WeakPolarHBondContact O-CG1 3.4Å; V308-I312 PolarHBondContact O-N 3.12Å; L309-I312 PolarHBondContact O-N 3.08Å; L309-I312 VanDerWaalsContact O-N 3.15Å; N310-I312 VanDerWaalsContact C-N 3.27Å; N310-I312 PolarHBondContact O-N 3.1Å; I312-E314 VanDerWaalsContact C-N 3.3Å; I312-E314 PolarHBondContact O-N 3.2Å; I312-L315 WeakPolarHBondContact O-CB 3.45Å; I312-L315 PolarHBondContact O-N 3.38Å; I312-V318 HydrophobicContact CG2-CG1 3.94Å; I312-V318 WeakPolarHBondContact O-CB 3.34Å; I312-V318 WeakPolarHBondContact O-CG1 3.39Å; I312-I404 HydrophobicContact CB-CD1 4.28Å; I312-I404 HydrophobicContact CD1-CD1 3.75Å; I312-I404 HydrophobicContact CG2-CD1 3.95Å; I312-I489 HydrophobicContact CD1-CD1 4.27Å; I312-I489 HydrophobicContact CG1-CD1 3.8Å; I312-V494 HydrophobicContact CD1-CG2 4.09Å; I312-V494 HydrophobicContact CG1-CG2 3.82Å; I312-V494 HydrophobicContact CG2-CG1 4.41Å; I312-Y548 HydrophobicContact CD1-CG 4.26Å
313	I	96.8	Very high	96	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-66	-35.5	179	-64.6	172.5	0	0	0	110.6	L309 N310 L315 H319 L322 V334 V337 I338 W341	L309-I313 HydrophobicContact CD1-CD1 3.73Å; L309-I313 HydrophobicContact CD1-CG1 4.16Å; L309-I313 HydrophobicContact CD2-CD1 4.42Å; L309-I313 HydrophobicContact CG-CD1 3.79Å; L309-I313 HydrophobicContact CG-CG1 4.48Å; L309-I313 WeakPolarHBondContact O-CG1 3.4Å; L309-I313 PolarHBondContact O-N 2.89Å; N310-I313 PolarHBondContact O-N 3.39Å; I313-L315 PolarHBondContact O-N 2.75Å; I313-L315 VanDerWaalsContact O-N 3.17Å; I313-H319 WeakPolarHBondContact O-CB 3.18Å; I313-H319 PolarHBondContact O-ND1 3.31Å; I313-L322 HydrophobicContact CG1-CD1 3.9Å; I313-V334 HydrophobicContact CB-CG1 4.3Å; I313-V334 HydrophobicContact CG2-CB 4.38Å; I313-V334 HydrophobicContact CG2-CG1 3.82Å; I313-V334 HydrophobicContact CG2-CG2 4.3Å; I313-V337 HydrophobicContact CD1-CG1 4.32Å; I313-V337 HydrophobicContact CG2-CB 4.19Å; I313-V337 HydrophobicContact CG2-CG1 3.95Å; I313-I338 HydrophobicContact CD1-CD1 4.2Å; I313-I338 HydrophobicContact CD1-CG1 3.47Å; I313-I338 VanDerWaalsContact CD1-CG1 3.47Å; I313-W341 HydrophobicContact CD1-CZ3 4.08Å
314	E	96.8	Very high	96	Very high	125 Å²	125	40 Å²	40	58%	0.584	21%	0.213	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.4	-15	176.2	-76.8	176.6	-179.9	0	0	114.2	N310 I312 P316 V334	N310-E314 WeakPolarHBondContact O-CB 3.42Å; N310-E314 WeakPolarHBondContact O-CG 3.47Å; N310-E314 PolarHBondContact O-N 3.08Å; I312-E314 VanDerWaalsContact C-N 3.3Å; I312-E314 PolarHBondContact O-N 3.2Å; E314-P316 WeakPolarHBondContact O-CD 3.4Å; E314-V334 HydrophobicContact CG-CG2 4.02Å
315	L	96.9	Very high	95.9	Very high	39 Å²	39	42 Å²	42	20%	0.204	24%	0.235	C	C	.	.	S	Bend	trans	-66.6	119.7	174.3	-63.4	172.5	0	0	0	109.3	I312 I313 G317 V318 H319 V486 A487 I489	I312-L315 WeakPolarHBondContact O-CB 3.45Å; I312-L315 PolarHBondContact O-N 3.38Å; I313-L315 PolarHBondContact O-N 2.75Å; I313-L315 VanDerWaalsContact O-N 3.17Å; L315-G317 VanDerWaalsContact C-N 3.28Å; L315-G317 PolarHBondContact O-N 2.77Å; L315-V318 HydrophobicContact CB-CB 4.06Å; L315-V318 HydrophobicContact CB-CG2 3.82Å; L315-V318 HydrophobicContact CD1-CG2 4.08Å; L315-V318 WeakPolarHBondContact O-CA 3.33Å; L315-V318 WeakPolarHBondContact O-CB 3.42Å; L315-V318 PolarHBondContact O-N 2.88Å; L315-H319 PolarHBondContact O-N 3.47Å; L315-V486 HydrophobicContact CD1-CG1 4.47Å; L315-A487 HydrophobicContact CD1-CB 3.62Å; L315-A487 HydrophobicContact CD2-CB 4.01Å; L315-A487 HydrophobicContact CG-CB 4.49Å; L315-I489 HydrophobicContact CD1-CG2 4.48Å
316	P	93.8	Very high	95.8	Very high	107 Å²	107	43.5 Å²	43.5	70%	0.695	24%	0.242	S	C	*	.	H	α-helix	trans	-55.3	-37.5	-168.5	-29.8	35.1	0	0	0	115.2	E314 Y320	E314-P316 WeakPolarHBondContact O-CD 3.4Å; P316-Y320 WeakPolarHBondContact O-CB 3.25Å; P316-Y320 PolarHBondContact O-N 2.53Å; P316-Y320 VanDerWaalsContact O-N 3.11Å
317	G	94	Very high	95.7	Very high	43 Å²	43	45.4 Å²	45.4	44%	0.443	27%	0.271	S	S	.	.	H	α-helix	trans	-69	-39.5	176.6	0	0	0	0	0	113	L315 E321	L315-G317 VanDerWaalsContact C-N 3.28Å; L315-G317 PolarHBondContact O-N 2.77Å; G317-E321 WeakPolarHBondContact O-CB 3Å; G317-E321 WeakPolarHBondContact O-CG 3.22Å; G317-E321 PolarHBondContact O-N 3.48Å; G317-E321 VanDerWaalsContact O-N 3.07Å
318	V	96.8	Very high	95.7	Very high	1 Å²	1	44.4 Å²	44.4	1%	0.006	27%	0.265	C	S	.	.	H	α-helix	trans	-68.3	-47.1	177.3	178.8	0	0	0	0	110.3	I312 L315 Y320 E321 L322 V486 Y546	I312-V318 HydrophobicContact CG2-CG1 3.94Å; I312-V318 WeakPolarHBondContact O-CB 3.34Å; I312-V318 WeakPolarHBondContact O-CG1 3.39Å; L315-V318 HydrophobicContact CB-CB 4.06Å; L315-V318 HydrophobicContact CB-CG2 3.82Å; L315-V318 HydrophobicContact CD1-CG2 4.08Å; L315-V318 WeakPolarHBondContact O-CA 3.33Å; L315-V318 WeakPolarHBondContact O-CB 3.42Å; L315-V318 PolarHBondContact O-N 2.88Å; V318-Y320 VanDerWaalsContact C-N 3.33Å; V318-Y320 PolarHBondContact O-N 3.25Å; V318-E321 PolarHBondContact O-N 2.98Å; V318-L322 HydrophobicContact CG1-CD1 3.83Å; V318-L322 HydrophobicContact CG1-CG 4.28Å; V318-L322 WeakPolarHBondContact O-CG 3.27Å; V318-L322 PolarHBondContact O-N 2.79Å; V318-V486 HydrophobicContact CG2-CG1 3.97Å; V318-Y546 HydrophobicContact CB-CE1 4.25Å; V318-Y546 HydrophobicContact CG1-CD1 4.39Å; V318-Y546 HydrophobicContact CG1-CD2 4.2Å; V318-Y546 HydrophobicContact CG1-CE1 4Å; V318-Y546 HydrophobicContact CG1-CE2 3.79Å; V318-Y546 HydrophobicContact CG1-CG 4.47Å; V318-Y546 HydrophobicContact CG2-CD1 4.18Å; V318-Y546 HydrophobicContact CG2-CE1 3.61Å
319	H	96.9	Very high	95.8	Very high	33 Å²	33	47.7 Å²	47.7	15%	0.153	29%	0.286	C	S	.	.	H	α-helix	trans	-51.7	-52.3	176	-163.7	81.5	0	0	0	111.5	I313 L315 L322 I323 A332 V334	I313-H319 WeakPolarHBondContact O-CB 3.18Å; I313-H319 PolarHBondContact O-ND1 3.31Å; L315-H319 PolarHBondContact O-N 3.47Å; H319-L322 PolarHBondContact O-N 3.05Å; H319-I323 WeakPolarHBondContact CD2-CD1 3.19Å; H319-I323 WeakPolarHBondContact NE2-CD1 3.05Å; H319-I323 WeakPolarHBondContact O-CG1 3.42Å; H319-I323 PolarHBondContact O-N 3.34Å; H319-A332 PolarHBondContact NE2-O 3.15Å; H319-V334 PolarHBondContact CE1-N 3.03Å
320	Y	96.1	Very high	95.6	Very high	127 Å²	127	53 Å²	53	50%	0.498	31%	0.311	S	S	.	.	H	α-helix	trans	-62.3	-44.1	-179.7	-178.8	-98.1	0	0	0	112.7	P316 V318 L322 I323 N324	P316-Y320 WeakPolarHBondContact O-CB 3.25Å; P316-Y320 PolarHBondContact O-N 2.53Å; P316-Y320 VanDerWaalsContact O-N 3.11Å; V318-Y320 VanDerWaalsContact C-N 3.33Å; V318-Y320 PolarHBondContact O-N 3.25Å; Y320-L322 VanDerWaalsContact C-N 3.35Å; Y320-L322 PolarHBondContact O-N 3.38Å; Y320-I323 PolarHBondContact O-N 2.72Å; Y320-N324 WeakPolarHBondContact CD1-ND2 3.47Å; Y320-N324 WeakPolarHBondContact CE1-ND2 3.09Å; Y320-N324 VanDerWaalsContact CZ-ND2 3.26Å; Y320-N324 PolarHBondContact O-N 3.26Å; Y320-N324 VanDerWaalsContact O-N 3.15Å; Y320-N324 PolarHBondContact O-ND2 2.9Å
321	E	95.2	Very high	95.6	Very high	50 Å²	50	58.1 Å²	58.1	23%	0.234	34%	0.338	C	S	.	.	H	α-helix	trans	-63	-40	176.9	-77	-175.3	-144	0	0	112.1	G317 V318 N324 A325 R496 T544 Y546	G317-E321 WeakPolarHBondContact O-CB 3Å; G317-E321 WeakPolarHBondContact O-CG 3.22Å; G317-E321 PolarHBondContact O-N 3.48Å; G317-E321 VanDerWaalsContact O-N 3.07Å; V318-E321 PolarHBondContact O-N 2.98Å; E321-N324 PolarHBondContact O-N 3.17Å; E321-A325 VanDerWaalsContact O-CB 3.32Å; E321-A325 WeakPolarHBondContact O-CB 3.49Å; E321-A325 PolarHBondContact O-N 3.02Å; E321-R496 WeakPolarHBondContact OE1-CD 3.43Å; E321-R496 IonicContact OE1-CZ 3.59Å; E321-R496 IonicContact OE1-NE 2.73Å; E321-R496 IonicContact OE1-NH1 2.74Å; E321-R496 PolarHBondContact OE1-NH1 3.21Å; E321-R496 VanDerWaalsContact OE2-CD 3.28Å; E321-R496 WeakPolarHBondContact OE2-CD 3.39Å; E321-T544 PolarHBondContact OE2-OG1 3.45Å; E321-Y546 VanDerWaalsContact CB-OH 3.31Å; E321-Y546 WeakPolarHBondContact CB-OH 3.38Å; E321-Y546 PolarHBondContact OE2-OH 2.99Å
322	L	96.2	Very high	95.6	Very high	10 Å²	10	55.7 Å²	55.7	5%	0.052	32%	0.324	C	S	.	.	H	α-helix	trans	-69.4	-42.7	178	-69.5	174	0	0	0	112.3	I313 V318 H319 Y320 N324 A325 F326 V337 W341 Y546	I313-L322 HydrophobicContact CG1-CD1 3.9Å; V318-L322 HydrophobicContact CG1-CD1 3.83Å; V318-L322 HydrophobicContact CG1-CG 4.28Å; V318-L322 WeakPolarHBondContact O-CG 3.27Å; V318-L322 PolarHBondContact O-N 2.79Å; H319-L322 PolarHBondContact O-N 3.05Å; Y320-L322 VanDerWaalsContact C-N 3.35Å; Y320-L322 PolarHBondContact O-N 3.38Å; L322-N324 VanDerWaalsContact C-N 3.27Å; L322-N324 PolarHBondContact O-N 3.11Å; L322-A325 PolarHBondContact O-N 3.19Å; L322-F326 HydrophobicContact CB-CD2 4.47Å; L322-F326 HydrophobicContact CB-CE2 4.13Å; L322-F326 HydrophobicContact CD2-CE2 4.16Å; L322-F326 HydrophobicContact CD2-CZ 3.83Å; L322-F326 WeakPolarHBondContact O-CB 3.41Å; L322-F326 WeakPolarHBondContact O-CD2 3.43Å; L322-F326 VanDerWaalsContact O-CG 3.26Å; L322-F326 WeakPolarHBondContact O-CG 3.29Å; L322-F326 PolarHBondContact O-N 3.49Å; L322-V337 HydrophobicContact CB-CG1 3.76Å; L322-V337 HydrophobicContact CD1-CG1 3.84Å; L322-V337 HydrophobicContact CG-CG1 4.42Å; L322-W341 HydrophobicContact CD1-CH2 4.38Å; L322-W341 HydrophobicContact CD2-CH2 4.36Å; L322-Y546 HydrophobicContact CD2-CE2 4.14Å; L322-Y546 HydrophobicContact CG-CE2 4.32Å
323	I	96.3	Very high	95.5	Very high	2 Å²	2	59.1 Å²	59.1	1%	0.01	35%	0.346	C	S	.	.	H	α-helix	trans	-52	-50	172.5	-77	-180	0	0	0	110.4	H319 Y320 F326 G327 L328 P329 A332 V337	H319-I323 WeakPolarHBondContact CD2-CD1 3.19Å; H319-I323 WeakPolarHBondContact NE2-CD1 3.05Å; H319-I323 WeakPolarHBondContact O-CG1 3.42Å; H319-I323 PolarHBondContact O-N 3.34Å; Y320-I323 PolarHBondContact O-N 2.72Å; I323-F326 PolarHBondContact O-N 2.93Å; I323-G327 PolarHBondContact O-N 3.12Å; I323-L328 HydrophobicContact CG2-CB 4.14Å; I323-L328 WeakPolarHBondContact CG2-O 3.48Å; I323-L328 PolarHBondContact O-N 2.92Å; I323-P329 WeakPolarHBondContact CG2-O 3.33Å; I323-A332 HydrophobicContact CD1-CB 3.92Å; I323-A332 HydrophobicContact CG1-CB 4.07Å; I323-V337 HydrophobicContact CG1-CG2 3.86Å
324	N	94.1	Very high	95.3	Very high	73 Å²	73	60.9 Å²	60.9	39%	0.39	36%	0.356	S	S	.	.	H	α-helix	trans	-66.7	-40.4	-179.3	-69.5	-30.1	0	0	0	112	Y320 E321 L322 F326 G327 Q330	Y320-N324 WeakPolarHBondContact CD1-ND2 3.47Å; Y320-N324 WeakPolarHBondContact CE1-ND2 3.09Å; Y320-N324 VanDerWaalsContact CZ-ND2 3.26Å; Y320-N324 PolarHBondContact O-N 3.26Å; Y320-N324 VanDerWaalsContact O-N 3.15Å; Y320-N324 PolarHBondContact O-ND2 2.9Å; E321-N324 PolarHBondContact O-N 3.17Å; L322-N324 VanDerWaalsContact C-N 3.27Å; L322-N324 PolarHBondContact O-N 3.11Å; N324-F326 VanDerWaalsContact C-N 3.28Å; N324-F326 PolarHBondContact O-N 2.83Å; N324-G327 PolarHBondContact O-N 2.85Å; N324-Q330 PolarHBondContact OD1-NE2 3.45Å
325	A	92.4	Very high	95.2	Very high	70 Å²	70	58.7 Å²	58.7	58%	0.579	35%	0.346	S	S	*	.	H	α-helix	trans	-64.3	-32.8	178.2	0	0	0	0	0	112.7	E321 L322	E321-A325 VanDerWaalsContact O-CB 3.32Å; E321-A325 WeakPolarHBondContact O-CB 3.49Å; E321-A325 PolarHBondContact O-N 3.02Å; L322-A325 PolarHBondContact O-N 3.19Å
326	F	94.6	Very high	95.1	Very high	32 Å²	32	60.1 Å²	60.1	14%	0.14	35%	0.354	C	S	.	.	H	α-helix	trans	-93.7	-3.9	-179.1	-58.2	-21.4	0	0	0	113.7	L322 I323 N324 L328 V337 H340 W341	L322-F326 HydrophobicContact CB-CD2 4.47Å; L322-F326 HydrophobicContact CB-CE2 4.13Å; L322-F326 HydrophobicContact CD2-CE2 4.16Å; L322-F326 HydrophobicContact CD2-CZ 3.83Å; L322-F326 WeakPolarHBondContact O-CB 3.41Å; L322-F326 WeakPolarHBondContact O-CD2 3.43Å; L322-F326 VanDerWaalsContact O-CG 3.26Å; L322-F326 WeakPolarHBondContact O-CG 3.29Å; L322-F326 PolarHBondContact O-N 3.49Å; I323-F326 PolarHBondContact O-N 2.93Å; N324-F326 VanDerWaalsContact C-N 3.28Å; N324-F326 PolarHBondContact O-N 2.83Å; F326-L328 VanDerWaalsContact C-N 3.27Å; F326-L328 HydrophobicContact CB-CD1 3.97Å; F326-L328 HydrophobicContact CB-CG 3.83Å; F326-L328 HydrophobicContact CD2-CD1 4.18Å; F326-L328 PolarHBondContact O-N 3.45Å; F326-V337 HydrophobicContact CD2-CG1 4.18Å; F326-V337 HydrophobicContact CE2-CG1 3.85Å; F326-H340 AromaticContact CD1-CD2 3.91Å; F326-H340 AromaticContact CD1-CE1 3.72Å; F326-H340 AromaticContact CD1-CG 3.96Å; F326-H340 AromaticContact CD1-ND1 3.88Å; F326-H340 AromaticContact CD1-NE2 3.75Å; F326-H340 HydrophobicContact CD2-CB 3.83Å; F326-H340 AromaticContact CD2-CG 3.81Å; F326-H340 AromaticContact CE1-CD2 3.51Å; F326-H340 AromaticContact CE1-CE1 3.97Å; F326-H340 AromaticContact CE1-CG 3.99Å; F326-H340 AromaticContact CE1-NE2 3.5Å; F326-H340 WeakPolarHBondContact CE1-NE2 3.46Å; F326-H340 HydrophobicContact CE2-CB 3.83Å; F326-H340 AromaticContact CE2-CD2 3.82Å; F326-H340 AromaticContact CE2-CG 3.81Å; F326-H340 HydrophobicContact CG-CB 4.35Å; F326-H340 AromaticContact CG-CG 3.9Å; F326-H340 AromaticContact CG-ND1 3.88Å; F326-H340 HydrophobicContact CZ-CB 4.38Å; F326-H340 AromaticContact CZ-CD2 3.46Å; F326-H340 VanDerWaalsContact CZ-CD2 3.46Å; F326-H340 WeakPolarHBondContact CZ-CD2 3.34Å; F326-H340 AromaticContact CZ-CG 3.91Å; F326-H340 AromaticContact CZ-NE2 3.95Å; F326-W341 AromaticContact CE2-CH2 3.63Å; F326-W341 HydrophobicContact CE2-CH2 3.63Å; F326-W341 HydrophobicContact CE2-CZ2 4.09Å; F326-W341 AromaticContact CE2-CZ3 3.96Å; F326-W341 HydrophobicContact CE2-CZ3 3.96Å; F326-W341 AromaticContact CZ-CH2 3.53Å; F326-W341 HydrophobicContact CZ-CH2 3.53Å; F326-W341 AromaticContact CZ-CZ2 3.52Å; F326-W341 HydrophobicContact CZ-CZ2 3.52Å; F326-W341 HydrophobicContact CZ-CZ3 4.24Å
327	G	94.6	Very high	95.2	Very high	69 Å²	69	55 Å²	55	71%	0.711	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.1	30.2	-177.8	0	0	0	0	0	113.1	I323 N324	I323-G327 PolarHBondContact O-N 3.12Å; N324-G327 PolarHBondContact O-N 2.85Å
328	L	96	Very high	95.2	Very high	47 Å²	47	53 Å²	53	25%	0.246	30%	0.3	C	S	.	.			trans	-82.1	157.6	179.5	-64.1	173.8	0	0	0	111.4	I323 F326 A332 V337	I323-L328 HydrophobicContact CG2-CB 4.14Å; I323-L328 WeakPolarHBondContact CG2-O 3.48Å; I323-L328 PolarHBondContact O-N 2.92Å; F326-L328 VanDerWaalsContact C-N 3.27Å; F326-L328 HydrophobicContact CB-CD1 3.97Å; F326-L328 HydrophobicContact CB-CG 3.83Å; F326-L328 HydrophobicContact CD2-CD1 4.18Å; F326-L328 PolarHBondContact O-N 3.45Å; L328-A332 HydrophobicContact CB-CB 3.9Å; L328-A332 HydrophobicContact CD1-CB 4.38Å; L328-V337 HydrophobicContact CD1-CG2 4.03Å
329	P	96.8	Very high	95.1	Very high	81 Å²	81	56.7 Å²	56.7	53%	0.526	33%	0.325	S	S	.	.			trans	-55.4	148.1	168.6	-24.9	35.7	0	0	0	112.1	I323 D331 A332	I323-P329 WeakPolarHBondContact CG2-O 3.33Å; P329-D331 WeakPolarHBondContact CB-OD1 3.28Å; P329-D331 PolarHBondContact O-N 3.49Å; P329-A332 WeakPolarHBondContact O-CB 3.34Å; P329-A332 PolarHBondContact O-N 2.94Å
330	Q	94	Very high	95.1	Very high	113 Å²	113	58 Å²	58	53%	0.528	33%	0.331	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.1	-19.7	-176.7	-65.5	-64.7	-54	0	0	113.7	N324	N324-Q330 PolarHBondContact OD1-NE2 3.45Å
331	D	95.2	Very high	95.1	Very high	138 Å²	138	52 Å²	52	74%	0.738	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.4	7	174.8	62.3	-29.9	0	0	0	113.3	P329 T333	P329-D331 WeakPolarHBondContact CB-OD1 3.28Å; P329-D331 PolarHBondContact O-N 3.49Å; D331-T333 PolarHBondContact O-N 2.71Å
332	A	96.2	Very high	95.2	Very high	8 Å²	8	50.3 Å²	50.3	7%	0.066	30%	0.3	C	S	.	.			trans	-56.5	134.2	177.2	0	0	0	0	0	111.5	H319 I323 L328 P329 D336	H319-A332 PolarHBondContact NE2-O 3.15Å; I323-A332 HydrophobicContact CD1-CB 3.92Å; I323-A332 HydrophobicContact CG1-CB 4.07Å; L328-A332 HydrophobicContact CB-CB 3.9Å; L328-A332 HydrophobicContact CD1-CB 4.38Å; P329-A332 WeakPolarHBondContact O-CB 3.34Å; P329-A332 PolarHBondContact O-N 2.94Å; A332-D336 HydrophobicContact CB-CB 3.92Å
333	T	95.7	Very high	95.2	Very high	74 Å²	74	49.8 Å²	49.8	45%	0.454	30%	0.297	S	S	.	.			trans	-78.5	170.5	-179.3	68.6	0	0	0	0	111.5	D331 Q335 D336 V337	D331-T333 PolarHBondContact O-N 2.71Å; T333-Q335 PolarHBondContact O-N 3.32Å; T333-Q335 PolarHBondContact OG1-N 3.17Å; T333-D336 WeakPolarHBondContact CB-OD2 3.2Å; T333-D336 PolarHBondContact N-OD2 2.98Å; T333-D336 PolarHBondContact O-N 3.47Å; T333-D336 VanDerWaalsContact O-N 3.16Å; T333-D336 VanDerWaalsContact OG1-CG 3.28Å; T333-D336 PolarHBondContact OG1-N 3.39Å; T333-D336 PolarHBondContact OG1-OD2 3.26Å; T333-V337 PolarHBondContact O-N 3.47Å
334	V	93.6	Very high	95.3	Very high	36 Å²	36	50 Å²	50	22%	0.218	30%	0.299	C	S	.	.	H	α-helix	trans	-57.8	-36.9	173	174.1	0	0	0	0	110.7	I313 E314 H319 V337 I338	I313-V334 HydrophobicContact CB-CG1 4.3Å; I313-V334 HydrophobicContact CG2-CB 4.38Å; I313-V334 HydrophobicContact CG2-CG1 3.82Å; I313-V334 HydrophobicContact CG2-CG2 4.3Å; E314-V334 HydrophobicContact CG-CG2 4.02Å; H319-V334 PolarHBondContact CE1-N 3.03Å; V334-V337 PolarHBondContact O-N 3.46Å; V334-I338 HydrophobicContact CG1-CD1 3.61Å; V334-I338 HydrophobicContact CG1-CG1 4.28Å; V334-I338 WeakPolarHBondContact O-CB 3.43Å; V334-I338 VanDerWaalsContact O-CG1 3.27Å; V334-I338 WeakPolarHBondContact O-CG1 3.29Å; V334-I338 PolarHBondContact O-N 2.78Å
335	Q	93.7	Very high	95.2	Very high	79 Å²	79	46.5 Å²	46.5	37%	0.369	28%	0.28	S	S	.	.	H	α-helix	trans	-66.1	-39.4	177.7	-170.4	60.7	28.4	0	0	112.2	T333 V337 I338 S339	T333-Q335 PolarHBondContact O-N 3.32Å; T333-Q335 PolarHBondContact OG1-N 3.17Å; Q335-V337 VanDerWaalsContact C-N 3.34Å; Q335-V337 PolarHBondContact O-N 3.41Å; Q335-I338 PolarHBondContact O-N 2.61Å; Q335-S339 WeakPolarHBondContact O-CB 3.3Å; Q335-S339 PolarHBondContact O-N 2.9Å
336	D	95.1	Very high	95.1	Very high	70 Å²	70	45.3 Å²	45.3	37%	0.374	26%	0.264	S	S	.	.	H	α-helix	trans	-62.7	-42.9	176.9	-61.3	-52.3	0	0	0	110.8	A332 T333 S339	A332-D336 HydrophobicContact CB-CB 3.92Å; T333-D336 WeakPolarHBondContact CB-OD2 3.2Å; T333-D336 PolarHBondContact N-OD2 2.98Å; T333-D336 PolarHBondContact O-N 3.47Å; T333-D336 VanDerWaalsContact O-N 3.16Å; T333-D336 VanDerWaalsContact OG1-CG 3.28Å; T333-D336 PolarHBondContact OG1-N 3.39Å; T333-D336 PolarHBondContact OG1-OD2 3.26Å; D336-S339 PolarHBondContact O-N 3.25Å; D336-S339 PolarHBondContact O-OG 2.95Å
337	V	95.8	Very high	94.8	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-63.2	-46.4	175	177.4	0	0	0	0	111.4	I313 L322 I323 F326 L328 T333 V334 Q335 S339 H340 W341	I313-V337 HydrophobicContact CD1-CG1 4.32Å; I313-V337 HydrophobicContact CG2-CB 4.19Å; I313-V337 HydrophobicContact CG2-CG1 3.95Å; L322-V337 HydrophobicContact CB-CG1 3.76Å; L322-V337 HydrophobicContact CD1-CG1 3.84Å; L322-V337 HydrophobicContact CG-CG1 4.42Å; I323-V337 HydrophobicContact CG1-CG2 3.86Å; F326-V337 HydrophobicContact CD2-CG1 4.18Å; F326-V337 HydrophobicContact CE2-CG1 3.85Å; L328-V337 HydrophobicContact CD1-CG2 4.03Å; T333-V337 PolarHBondContact O-N 3.47Å; V334-V337 PolarHBondContact O-N 3.46Å; Q335-V337 VanDerWaalsContact C-N 3.34Å; Q335-V337 PolarHBondContact O-N 3.41Å; V337-S339 VanDerWaalsContact C-N 3.29Å; V337-S339 PolarHBondContact O-N 2.82Å; V337-H340 VanDerWaalsContact O-CB 3.23Å; V337-H340 WeakPolarHBondContact O-CB 3.42Å; V337-H340 PolarHBondContact O-N 2.79Å; V337-W341 HydrophobicContact CG1-CZ3 4.25Å; V337-W341 WeakPolarHBondContact O-CZ3 3.34Å
338	I	94.9	Very high	94.8	Very high	1 Å²	1	46.4 Å²	46.4	1%	0.005	26%	0.258	C	S	.	.	H	α-helix	trans	-62.8	-36.8	179.9	-74	171.7	0	0	0	111.6	W306 N310 I313 V334 Q335 H340 W341 L353	W306-I338 HydrophobicContact CH2-CD1 4.29Å; W306-I338 HydrophobicContact CH2-CG2 3.73Å; W306-I338 HydrophobicContact CZ3-CG2 3.98Å; N310-I338 WeakPolarHBondContact OD1-CD1 2.96Å; I313-I338 HydrophobicContact CD1-CD1 4.2Å; I313-I338 HydrophobicContact CD1-CG1 3.47Å; I313-I338 VanDerWaalsContact CD1-CG1 3.47Å; V334-I338 HydrophobicContact CG1-CD1 3.61Å; V334-I338 HydrophobicContact CG1-CG1 4.28Å; V334-I338 WeakPolarHBondContact O-CB 3.43Å; V334-I338 VanDerWaalsContact O-CG1 3.27Å; V334-I338 WeakPolarHBondContact O-CG1 3.29Å; V334-I338 PolarHBondContact O-N 2.78Å; Q335-I338 PolarHBondContact O-N 2.61Å; I338-H340 PolarHBondContact O-N 2.86Å; I338-W341 PolarHBondContact O-N 2.99Å; I338-L353 HydrophobicContact CG2-CD2 3.48Å; I338-L353 VanDerWaalsContact CG2-CD2 3.48Å; I338-L353 HydrophobicContact CG2-CG 4.14Å
339	S	94.6	Very high	94.7	Very high	77 Å²	77	44.3 Å²	44.3	54%	0.538	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.9	-12	-179.1	78	0	0	0	0	114.6	Q335 D336 V337 W341	Q335-S339 WeakPolarHBondContact O-CB 3.3Å; Q335-S339 PolarHBondContact O-N 2.9Å; D336-S339 PolarHBondContact O-N 3.25Å; D336-S339 PolarHBondContact O-OG 2.95Å; V337-S339 VanDerWaalsContact C-N 3.29Å; V337-S339 PolarHBondContact O-N 2.82Å; S339-W341 VanDerWaalsContact C-N 3.25Å; S339-W341 PolarHBondContact O-N 2.97Å
340	H	95.2	Very high	94.2	Very high	60 Å²	60	41 Å²	41	28%	0.278	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.6	-33.6	171.2	179.6	74.2	0	0	0	112.7	F326 V337 I338 S406	F326-H340 AromaticContact CD1-CD2 3.91Å; F326-H340 AromaticContact CD1-CE1 3.72Å; F326-H340 AromaticContact CD1-CG 3.96Å; F326-H340 AromaticContact CD1-ND1 3.88Å; F326-H340 AromaticContact CD1-NE2 3.75Å; F326-H340 HydrophobicContact CD2-CB 3.83Å; F326-H340 AromaticContact CD2-CG 3.81Å; F326-H340 AromaticContact CE1-CD2 3.51Å; F326-H340 AromaticContact CE1-CE1 3.97Å; F326-H340 AromaticContact CE1-CG 3.99Å; F326-H340 AromaticContact CE1-NE2 3.5Å; F326-H340 WeakPolarHBondContact CE1-NE2 3.46Å; F326-H340 HydrophobicContact CE2-CB 3.83Å; F326-H340 AromaticContact CE2-CD2 3.82Å; F326-H340 AromaticContact CE2-CG 3.81Å; F326-H340 HydrophobicContact CG-CB 4.35Å; F326-H340 AromaticContact CG-CG 3.9Å; F326-H340 AromaticContact CG-ND1 3.88Å; F326-H340 HydrophobicContact CZ-CB 4.38Å; F326-H340 AromaticContact CZ-CD2 3.46Å; F326-H340 VanDerWaalsContact CZ-CD2 3.46Å; F326-H340 WeakPolarHBondContact CZ-CD2 3.34Å; F326-H340 AromaticContact CZ-CG 3.91Å; F326-H340 AromaticContact CZ-NE2 3.95Å; V337-H340 VanDerWaalsContact O-CB 3.23Å; V337-H340 WeakPolarHBondContact O-CB 3.42Å; V337-H340 PolarHBondContact O-N 2.79Å; I338-H340 PolarHBondContact O-N 2.86Å; H340-S406 PolarHBondContact NE2-O 3.4Å
341	W	96.7	Very high	93.8	Very high	3 Å²	3	40 Å²	40	1%	0.011	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	153.1	176.4	-58.3	-85.5	0	0	0	111.7	I313 L322 F326 V337 I338 S339 L353 I404 T405 I409 A456 L457	I313-W341 HydrophobicContact CD1-CZ3 4.08Å; L322-W341 HydrophobicContact CD1-CH2 4.38Å; L322-W341 HydrophobicContact CD2-CH2 4.36Å; F326-W341 AromaticContact CE2-CH2 3.63Å; F326-W341 HydrophobicContact CE2-CH2 3.63Å; F326-W341 HydrophobicContact CE2-CZ2 4.09Å; F326-W341 AromaticContact CE2-CZ3 3.96Å; F326-W341 HydrophobicContact CE2-CZ3 3.96Å; F326-W341 AromaticContact CZ-CH2 3.53Å; F326-W341 HydrophobicContact CZ-CH2 3.53Å; F326-W341 AromaticContact CZ-CZ2 3.52Å; F326-W341 HydrophobicContact CZ-CZ2 3.52Å; F326-W341 HydrophobicContact CZ-CZ3 4.24Å; V337-W341 HydrophobicContact CG1-CZ3 4.25Å; V337-W341 WeakPolarHBondContact O-CZ3 3.34Å; I338-W341 PolarHBondContact O-N 2.99Å; S339-W341 VanDerWaalsContact C-N 3.25Å; S339-W341 PolarHBondContact O-N 2.97Å; W341-L353 VanDerWaalsContact O-CD2 3.29Å; W341-L353 WeakPolarHBondContact O-CD2 3.47Å; W341-I404 HydrophobicContact CH2-CG2 4.23Å; W341-I404 HydrophobicContact CZ2-CG2 3.98Å; W341-T405 WeakPolarHBondContact CZ2-O 3.47Å; W341-T405 PolarHBondContact NE1-O 2.8Å; W341-I409 HydrophobicContact CD2-CD1 3.69Å; W341-I409 HydrophobicContact CD2-CG1 4.29Å; W341-I409 HydrophobicContact CE3-CD1 4.01Å; W341-I409 HydrophobicContact CG-CD1 3.96Å; W341-I409 HydrophobicContact CG-CG1 4.38Å; W341-I409 HydrophobicContact CZ2-CD1 4.26Å; W341-I409 HydrophobicContact CZ2-CG1 4.45Å; W341-I409 HydrophobicContact CZ3-CD1 4.43Å; W341-A456 HydrophobicContact CB-CB 3.97Å; W341-L457 CarbonylContact C-O 3.56Å; W341-L457 WeakPolarHBondContact CA-O 3.42Å
342	E	97.1	Very high	93.2	Very high	13 Å²	13	40 Å²	40	6%	0.061	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	143.6	169.2	-61.1	-176.4	148.7	0	0	108.9	A344 K354 C356 A456 L457	E342-A344 PolarHBondContact O-N 2.9Å; E342-K354 CarbonylContact C-O 3.55Å; E342-K354 WeakPolarHBondContact CA-O 3.38Å; E342-K354 VanDerWaalsContact CB-O 3.29Å; E342-K354 WeakPolarHBondContact CB-O 3.21Å; E342-K354 WeakPolarHBondContact OE1-CE 3.41Å; E342-K354 IonicContact OE1-NZ 3.09Å; E342-K354 PolarHBondContact OE1-NZ 3.01Å; E342-C356 HydrophobicContact CB-CB 3.81Å; E342-C356 WeakPolarHBondContact OE2-CA 3.39Å; E342-C356 WeakPolarHBondContact OE2-CB 3.44Å; E342-A456 CarbonylContact O-C 3.44Å; E342-A456 VanDerWaalsContact O-CA 3.25Å; E342-A456 WeakPolarHBondContact O-CA 3.4Å; E342-A456 WeakPolarHBondContact O-CB 3.37Å; E342-L457 PolarHBondContact N-O 2.89Å; E342-L457 PolarHBondContact O-N 2.87Å
343	S	97.4	Very high	92.9	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.7	125.1	174.1	168.5	0	0	0	0	110.1	T345 D348 F349 K354 C356	S343-T345 PolarHBondContact OG-N 3.42Å; S343-T345 PolarHBondContact OG-O 3.44Å; S343-D348 VanDerWaalsContact CB-OD1 3.28Å; S343-D348 WeakPolarHBondContact CB-OD1 3.37Å; S343-D348 VanDerWaalsContact OG-CA 3.25Å; S343-D348 WeakPolarHBondContact OG-CA 3.46Å; S343-D348 PolarHBondContact OG-OD1 2.81Å; S343-F349 PolarHBondContact OG-N 3.15Å; S343-F349 VanDerWaalsContact OG-N 3.12Å; S343-K354 PolarHBondContact N-O 3.5Å; S343-C356 PolarHBondContact O-N 2.82Å
344	A	96.6	Very high	92.8	Very high	5 Å²	5	43 Å²	43	4%	0.041	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	-1.8	177.6	0	0	0	0	0	112.8	E342 P359 S360 T454 M455 L457	E342-A344 PolarHBondContact O-N 2.9Å; A344-P359 WeakPolarHBondContact O-CA 3.01Å; A344-S360 PolarHBondContact O-N 2.91Å; A344-T454 HydrophobicContact CB-CG2 3.95Å; A344-M455 WeakPolarHBondContact CB-O 3.24Å; A344-M455 PolarHBondContact N-O 2.89Å; A344-L457 HydrophobicContact CB-CD1 3.83Å; A344-L457 HydrophobicContact CB-CG 3.95Å
345	T	93.9	Very high	92.8	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	153.9	-169	62.9	0	0	0	0	113.5	L302 S343 P347 F349 S360 P362 T454	L302-T345 HydrophobicContact CD2-CG2 4.02Å; S343-T345 PolarHBondContact OG-N 3.42Å; S343-T345 PolarHBondContact OG-O 3.44Å; T345-P347 CarbonylContact C-O 3.58Å; T345-P347 WeakPolarHBondContact CB-O 3.41Å; T345-P347 CarbonylContact O-C 3.08Å; T345-P347 VanDerWaalsContact O-O 3.11Å; T345-P347 PolarHBondContact OG1-O 2.89Å; T345-F349 PolarHBondContact OG1-N 2.99Å; T345-F349 VanDerWaalsContact OG1-N 3.12Å; T345-S360 CarbonylContact C-O 3.55Å; T345-S360 WeakPolarHBondContact CA-O 3.2Å; T345-P362 HydrophobicContact CG2-CG 3.88Å; T345-T454 WeakPolarHBondContact CG2-O 3.09Å
346	I	88.6	Confident	92.8	Very high	46 Å²	46	40.4 Å²	40.4	24%	0.236	23%	0.225	C	C	.	.	S	Bend	trans	-120.3	119.6	162.5	-68.3	168.5	0	0	0	108.1	H207 P359 S360	H207-I346 WeakPolarHBondContact CE1-CD1 3.19Å; I346-P359 HydrophobicContact CD1-CB 4.07Å; I346-P359 HydrophobicContact CD1-CG 3.53Å; I346-P359 HydrophobicContact CG1-CB 3.92Å; I346-P359 HydrophobicContact CG1-CG 3.88Å; I346-S360 PolarHBondContact N-O 3.47Å
347	P	89.6	Confident	92.6	Very high	54 Å²	54	44.1 Å²	44.1	35%	0.351	25%	0.245	S	C	.	.	S	Bend	cis	-64.2	167.5	-4.5	29.9	-33.7	0	0	0	112.3	V298 L302 T345	V298-P347 HydrophobicContact CG1-CG 4.11Å; L302-P347 HydrophobicContact CD1-CG 3.87Å; L302-P347 VanDerWaalsContact CD1-O 3.3Å; L302-P347 WeakPolarHBondContact CD1-O 3.35Å; T345-P347 CarbonylContact C-O 3.58Å; T345-P347 WeakPolarHBondContact CB-O 3.41Å; T345-P347 CarbonylContact O-C 3.08Å; T345-P347 VanDerWaalsContact O-O 3.11Å; T345-P347 PolarHBondContact OG1-O 2.89Å
348	D	93.2	Very high	92.2	Very high	69 Å²	69	49 Å²	49	37%	0.369	28%	0.275	S	S	.	.			trans	-61.5	142.9	-176.2	-71.2	-51.6	0	0	0	112.2	S343 G350 T355	S343-D348 VanDerWaalsContact CB-OD1 3.28Å; S343-D348 WeakPolarHBondContact CB-OD1 3.37Å; S343-D348 VanDerWaalsContact OG-CA 3.25Å; S343-D348 WeakPolarHBondContact OG-CA 3.46Å; S343-D348 PolarHBondContact OG-OD1 2.81Å; D348-G350 PolarHBondContact O-N 3.1Å; D348-T355 PolarHBondContact OD1-OG1 3.4Å; D348-T355 PolarHBondContact OD2-OG1 3.2Å
349	F	94	Very high	92	Very high	3 Å²	3	50.7 Å²	50.7	1%	0.013	29%	0.286	C	S	.	.	S	Bend	trans	-63.7	-29.6	-177.5	173.2	-130.2	0	0	0	112.7	L302 G305 W306 L309 S343 T345 L353 I409 M455 A456	L302-F349 HydrophobicContact CB-CD2 4.28Å; L302-F349 HydrophobicContact CD2-CB 4.42Å; L302-F349 HydrophobicContact CD2-CD2 3.85Å; L302-F349 WeakPolarHBondContact O-CE2 3.13Å; G305-F349 VanDerWaalsContact C-CE2 3.45Å; W306-F349 HydrophobicContact CB-CE2 4.44Å; W306-F349 WeakPolarHBondContact CB-O 3.38Å; W306-F349 HydrophobicContact CE3-CD1 4.36Å; W306-F349 HydrophobicContact CE3-CE1 4.4Å; L309-F349 HydrophobicContact CD2-CE1 4.02Å; S343-F349 PolarHBondContact OG-N 3.15Å; S343-F349 VanDerWaalsContact OG-N 3.12Å; T345-F349 PolarHBondContact OG1-N 2.99Å; T345-F349 VanDerWaalsContact OG1-N 3.12Å; F349-L353 HydrophobicContact CD1-CD1 4.25Å; F349-I409 HydrophobicContact CE1-CG2 4.02Å; F349-I409 HydrophobicContact CZ-CG2 4.26Å; F349-M455 HydrophobicContact CB-CB 4.47Å; F349-M455 WeakPolarHBondContact CB-O 3.45Å; F349-M455 HydrophobicContact CD1-CB 3.87Å; F349-M455 HydrophobicContact CD2-CB 3.74Å; F349-M455 HydrophobicContact CD2-CG 3.95Å; F349-M455 HydrophobicContact CD2-SD 3.99Å; F349-M455 HydrophobicContact CE1-CB 3.91Å; F349-M455 HydrophobicContact CE2-CB 3.81Å; F349-M455 HydrophobicContact CE2-CE 4.23Å; F349-M455 HydrophobicContact CE2-CG 3.87Å; F349-M455 HydrophobicContact CE2-SD 3.3Å; F349-M455 WeakPolarHBondContact CE2-SD 3.21Å; F349-M455 HydrophobicContact CG-CB 3.76Å; F349-M455 HydrophobicContact CG-CG 4.47Å; F349-M455 HydrophobicContact CZ-CB 3.88Å; F349-M455 HydrophobicContact CZ-CG 4.29Å; F349-M455 HydrophobicContact CZ-SD 3.66Å; F349-A456 HydrophobicContact CD1-CB 4.01Å; F349-A456 HydrophobicContact CE1-CB 4.49Å
350	G	88.1	Confident	91.8	Very high	12 Å²	12	48.7 Å²	48.7	12%	0.124	27%	0.272	C	S	.	.	S	Bend	trans	-145.4	165	-177	0	0	0	0	0	112.4	D348	D348-G350 PolarHBondContact O-N 3.1Å
351	T	84.6	Confident	91.5	Very high	92 Å²	92	46.7 Å²	46.7	56%	0.564	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.2	139.9	168.6	52.2	0	0	0	0	109.2	W306 L353	W306-T351 WeakPolarHBondContact CH2-O 3.08Å; W306-T351 WeakPolarHBondContact CZ2-O 3.28Å; T351-L353 PolarHBondContact O-N 3.28Å
352	D	82	Confident	91.3	Very high	137 Å²	137	46.6 Å²	46.6	73%	0.733	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	65.1	6	172.8	-47.4	-48.6	0	0	0	116.7
353	L	90.6	Very high	91.1	Very high	12 Å²	12	47.4 Å²	47.4	6%	0.063	27%	0.266	C	S	.	.	P	Polyproline II helix	trans	-74.3	129.2	165.7	-79.5	-176.5	0	0	0	110	W306 I338 W341 F349 T351 T355	W306-L353 HydrophobicContact CE3-CD1 4.4Å; W306-L353 HydrophobicContact CH2-CD1 4.3Å; W306-L353 HydrophobicContact CH2-CG 4.03Å; W306-L353 HydrophobicContact CZ3-CD1 3.62Å; W306-L353 HydrophobicContact CZ3-CG 3.86Å; I338-L353 HydrophobicContact CG2-CD2 3.48Å; I338-L353 VanDerWaalsContact CG2-CD2 3.48Å; I338-L353 HydrophobicContact CG2-CG 4.14Å; W341-L353 VanDerWaalsContact O-CD2 3.29Å; W341-L353 WeakPolarHBondContact O-CD2 3.47Å; F349-L353 HydrophobicContact CD1-CD1 4.25Å; T351-L353 PolarHBondContact O-N 3.28Å; L353-T355 PolarHBondContact O-N 3.06Å
354	K	93.7	Very high	91.1	Very high	133 Å²	133	47.4 Å²	47.4	58%	0.578	27%	0.266	S	S	*	.	P	Polyproline II helix	trans	-61.7	131.7	166.8	-179	-172.9	167.3	-150.4	0	108.9	E342 S343	E342-K354 CarbonylContact C-O 3.55Å; E342-K354 WeakPolarHBondContact CA-O 3.38Å; E342-K354 VanDerWaalsContact CB-O 3.29Å; E342-K354 WeakPolarHBondContact CB-O 3.21Å; E342-K354 WeakPolarHBondContact OE1-CE 3.41Å; E342-K354 IonicContact OE1-NZ 3.09Å; E342-K354 PolarHBondContact OE1-NZ 3.01Å; S343-K354 PolarHBondContact N-O 3.5Å
355	T	94	Very high	91	Very high	48 Å²	48	49 Å²	49	29%	0.294	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.5	136.7	171.1	-42.1	0	0	0	0	110.7	D348 L353 P359	D348-T355 PolarHBondContact OD1-OG1 3.4Å; D348-T355 PolarHBondContact OD2-OG1 3.2Å; L353-T355 PolarHBondContact O-N 3.06Å; T355-P359 HydrophobicContact CG2-CB 3.47Å; T355-P359 VanDerWaalsContact CG2-CB 3.47Å; T355-P359 HydrophobicContact CG2-CG 3.5Å; T355-P359 VanDerWaalsContact CG2-CG 3.5Å
356	C	93.9	Very high	91.1	Very high	14 Å²	14	49 Å²	49	10%	0.095	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.5	173.7	176.9	80.7	0	0	0	0	111.6	E342 S343 T358 P359	E342-C356 HydrophobicContact CB-CB 3.81Å; E342-C356 WeakPolarHBondContact OE2-CA 3.39Å; E342-C356 WeakPolarHBondContact OE2-CB 3.44Å; S343-C356 PolarHBondContact O-N 2.82Å; C356-T358 VanDerWaalsContact C-N 3.28Å; C356-T358 PolarHBondContact O-N 3.42Å; C356-P359 WeakPolarHBondContact O-CD 3.49Å
357	N	89.9	Confident	91.4	Very high	147 Å²	147	47.8 Å²	47.8	79%	0.786	27%	0.269	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-67.7	-25.5	-176.4	-69	-29.4	0	0	0	114.3
358	T	88.2	Confident	91.6	Very high	104 Å²	104	50.3 Å²	50.3	64%	0.638	28%	0.275	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-136.6	62.3	-175.4	57.9	0	0	0	0	110.7	C356	C356-T358 VanDerWaalsContact C-N 3.28Å; C356-T358 PolarHBondContact O-N 3.42Å
359	P	91.1	Very high	91.7	Very high	36 Å²	36	47 Å²	47	23%	0.234	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.8	158.7	-179	38.1	-40.1	0	0	0	109.5	A344 I346 T355 C356	A344-P359 WeakPolarHBondContact O-CA 3.01Å; I346-P359 HydrophobicContact CD1-CB 4.07Å; I346-P359 HydrophobicContact CD1-CG 3.53Å; I346-P359 HydrophobicContact CG1-CB 3.92Å; I346-P359 HydrophobicContact CG1-CG 3.88Å; T355-P359 HydrophobicContact CG2-CB 3.47Å; T355-P359 VanDerWaalsContact CG2-CB 3.47Å; T355-P359 HydrophobicContact CG2-CG 3.5Å; T355-P359 VanDerWaalsContact CG2-CG 3.5Å; C356-P359 WeakPolarHBondContact O-CD 3.49Å
360	S	89.5	Confident	91.7	Very high	34 Å²	34	52 Å²	52	24%	0.238	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	161.6	-179.6	67.1	0	0	0	0	111.3	A344 T345 I346 H363	A344-S360 PolarHBondContact O-N 2.91Å; T345-S360 CarbonylContact C-O 3.55Å; T345-S360 WeakPolarHBondContact CA-O 3.2Å; I346-S360 PolarHBondContact N-O 3.47Å; S360-H363 PolarHBondContact OG-CE1 2.87Å; S360-H363 PolarHBondContact OG-ND1 3.06Å
361	I	88.5	Confident	92	Very high	18 Å²	18	56.5 Å²	56.5	9%	0.092	29%	0.293	C	S	.	.			trans	-62.6	140.6	167.3	-59.2	171	0	0	0	108.3	H207 F209 W258 A260 H363	H207-I361 HydrophobicContact CB-CD1 4.09Å; F209-I361 HydrophobicContact CE2-CD1 3.39Å; F209-I361 HydrophobicContact CZ-CB 4.27Å; F209-I361 HydrophobicContact CZ-CD1 3.45Å; F209-I361 VanDerWaalsContact CZ-CD1 3.45Å; F209-I361 HydrophobicContact CZ-CG1 4.49Å; F209-I361 HydrophobicContact CZ-CG2 4.04Å; W258-I361 WeakPolarHBondContact O-CG2 3.48Å; A260-I361 HydrophobicContact CB-CD1 3.63Å; A260-I361 HydrophobicContact CB-CG1 4.31Å; I361-H363 PolarHBondContact O-N 2.76Å; I361-H363 PolarHBondContact O-ND1 2.99Å
362	P	92.9	Very high	92.4	Very high	1 Å²	1	53.3 Å²	53.3	1%	0.006	28%	0.278	C	S	.	.			trans	-48.8	130.2	175	-30.9	38.1	0	0	0	112.1	W258 V298 L301 L302 T345 V453	W258-P362 HydrophobicContact CE3-CB 4.16Å; W258-P362 PolarHBondContact N-O 3.11Å; V298-P362 HydrophobicContact CG1-CG 4.14Å; L301-P362 HydrophobicContact CD2-CB 4.43Å; L302-P362 HydrophobicContact CD1-CG 4.22Å; L302-P362 HydrophobicContact CD2-CG 3.94Å; L302-P362 HydrophobicContact CG-CG 4.32Å; T345-P362 HydrophobicContact CG2-CG 3.88Å; P362-V453 HydrophobicContact CB-CG1 3.86Å
363	H	93.9	Very high	93.1	Very high	30 Å²	30	55.3 Å²	55.3	14%	0.139	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.7	161.6	-177.1	66.2	-82.8	0	0	0	111.8	Y253 W256 F257 S360 I361 T365	Y253-H363 AromaticContact CE2-CD2 3.62Å; Y253-H363 AromaticContact CE2-NE2 3.6Å; Y253-H363 AromaticContact CZ-NE2 3.81Å; W256-H363 CarbonylContact O-C 3.59Å; W256-H363 WeakPolarHBondContact O-CA 3.32Å; W256-H363 WeakPolarHBondContact O-CB 3.48Å; F257-H363 HydrophobicContact CD1-CB 3.33Å; F257-H363 HydrophobicContact CE1-CB 3.67Å; F257-H363 AromaticContact CE1-CG 3.95Å; F257-H363 HydrophobicContact CG-CB 3.99Å; S360-H363 PolarHBondContact OG-CE1 2.87Å; S360-H363 PolarHBondContact OG-ND1 3.06Å; I361-H363 PolarHBondContact O-N 2.76Å; I361-H363 PolarHBondContact O-ND1 2.99Å; H363-T365 PolarHBondContact CD2-OG1 2.91Å; H363-T365 PolarHBondContact NE2-OG1 3.19Å
364	I	96	Very high	93.2	Very high	0 Å²	0	55.8 Å²	55.8	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	108.2	175.3	-55.5	153.9	0	0	0	107	G255 W256 W258 A366 V397 V413 L415 W425 A451 H452 V453	G255-I364 CarbonylContact C-O 3.49Å; G255-I364 WeakPolarHBondContact CA-O 3.4Å; W256-I364 HydrophobicContact CB-CB 4.3Å; W256-I364 HydrophobicContact CB-CD1 4.18Å; W256-I364 HydrophobicContact CE3-CB 4.03Å; W256-I364 HydrophobicContact CE3-CG2 3.91Å; W256-I364 HydrophobicContact CZ3-CG2 4.31Å; W256-I364 PolarHBondContact N-O 2.89Å; W256-I364 PolarHBondContact O-N 3.34Å; W258-I364 HydrophobicContact CH2-CD1 3.8Å; W258-I364 HydrophobicContact CH2-CG1 4.19Å; W258-I364 HydrophobicContact CZ3-CD1 4.01Å; W258-I364 HydrophobicContact CZ3-CG1 4.03Å; I364-A366 PolarHBondContact O-N 3.38Å; I364-V397 HydrophobicContact CD1-CB 4.36Å; I364-V397 HydrophobicContact CD1-CG1 3.98Å; I364-V397 HydrophobicContact CD1-CG2 4.12Å; I364-V413 HydrophobicContact CD1-CB 4.38Å; I364-V413 HydrophobicContact CD1-CG1 3.73Å; I364-V413 HydrophobicContact CD1-CG2 4.12Å; I364-V413 HydrophobicContact CG1-CG1 4.43Å; I364-V413 HydrophobicContact CG1-CG2 4.07Å; I364-L415 HydrophobicContact CG2-CD2 4.14Å; I364-W425 HydrophobicContact CG2-CZ3 4.16Å; I364-A451 HydrophobicContact CG2-CB 4.08Å; I364-H452 WeakPolarHBondContact CA-O 3.35Å; I364-V453 HydrophobicContact CG1-CG2 3.72Å
365	T	95.7	Very high	93.2	Very high	39 Å²	39	55.5 Å²	55.5	24%	0.239	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	119.9	-179.2	-67	0	0	0	0	110.5	H363 W425	H363-T365 PolarHBondContact CD2-OG1 2.91Å; H363-T365 PolarHBondContact NE2-OG1 3.19Å; T365-W425 WeakPolarHBondContact O-CH2 3.5Å; T365-W425 WeakPolarHBondContact O-CZ3 3.49Å
366	A	94.9	Very high	93.2	Very high	0 Å²	0	55.1 Å²	55.1	0%	0	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	-39.2	176.2	0	0	0	0	0	112.4	Y254 W256 I364 W425 A426 A427 F560	Y254-A366 PolarHBondContact O-N 3.44Å; W256-A366 HydrophobicContact CE3-CB 4.19Å; W256-A366 HydrophobicContact CH2-CB 3.95Å; W256-A366 HydrophobicContact CZ3-CB 3.56Å; I364-A366 PolarHBondContact O-N 3.38Å; A366-W425 HydrophobicContact CB-CE3 4.25Å; A366-A426 CarbonylContact O-C 3.6Å; A366-A426 WeakPolarHBondContact O-CA 3.27Å; A366-A426 PolarHBondContact O-N 3.42Å; A366-A427 PolarHBondContact O-N 2.81Å; A366-F560 HydrophobicContact CB-CE2 3.93Å
367	K	94.7	Very high	93.2	Very high	21 Å²	21	54.5 Å²	54.5	9%	0.091	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.6	118.9	174.8	179.7	59.8	178.6	175.2	0	110.6	Y253 Y254 T375 Y380 A426	Y253-K367 CarbonylContact C-O 3.57Å; Y253-K367 WeakPolarHBondContact CA-O 3.27Å; Y253-K367 WeakPolarHBondContact CB-O 3.34Å; Y254-K367 HydrophobicContact CD2-CB 4.47Å; Y254-K367 PolarHBondContact N-O 2.97Å; Y254-K367 PolarHBondContact O-N 3Å; Y254-K367 VanDerWaalsContact O-N 3.12Å; K367-T375 WeakPolarHBondContact CE-O 2.96Å; K367-T375 PolarHBondContact NZ-O 3.45Å; K367-Y380 HydrophobicContact CB-CD1 3.8Å; K367-Y380 HydrophobicContact CB-CD2 4.17Å; K367-Y380 HydrophobicContact CB-CE1 3.61Å; K367-Y380 HydrophobicContact CB-CE2 3.98Å; K367-Y380 HydrophobicContact CB-CG 4.07Å; K367-Y380 HydrophobicContact CG-CD1 3.74Å; K367-Y380 HydrophobicContact CG-CD2 4.2Å; K367-Y380 HydrophobicContact CG-CE1 4.11Å; K367-Y380 HydrophobicContact CG-CG 3.79Å; K367-A426 HydrophobicContact CB-CB 4.2Å; K367-A426 HydrophobicContact CD-CB 3.99Å; K367-A426 WeakPolarHBondContact CD-O 3.37Å; K367-A426 HydrophobicContact CG-CB 4.46Å
368	F	95.4	Very high	93.4	Very high	107 Å²	107	53.1 Å²	53.1	47%	0.469	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	121.3	164.1	-175.5	-113.1	0	0	0	109.7	K370 A374	F368-K370 HydrophobicContact CD1-CB 4.31Å; F368-K370 HydrophobicContact CE1-CB 3.61Å; F368-K370 HydrophobicContact CE1-CD 4.15Å; F368-K370 HydrophobicContact CE1-CG 4.01Å; F368-K370 HydrophobicContact CZ-CB 3.72Å; F368-K370 HydrophobicContact CZ-CD 4.34Å; F368-K370 HydrophobicContact CZ-CG 3.86Å; F368-A374 HydrophobicContact CD1-CB 4.4Å; F368-A374 WeakPolarHBondContact O-CB 3.32Å
369	S	94.3	Very high	93.6	Very high	0 Å²	0	54.1 Å²	54.1	0%	0	28%	0.278	C	S	.	.			trans	-110.2	-19	-176.5	41.3	0	0	0	0	113.5	P251 C252 Y371 G372 R373 A374	P251-S369 WeakPolarHBondContact O-CB 3.45Å; P251-S369 PolarHBondContact O-OG 3.32Å; C252-S369 VanDerWaalsContact C-OG 3.32Å; C252-S369 PolarHBondContact O-N 3.26Å; C252-S369 PolarHBondContact O-OG 2.96Å; C252-S369 VanDerWaalsContact O-OG 3.11Å; S369-Y371 PolarHBondContact O-N 3.05Å; S369-G372 CarbonylContact O-C 3.53Å; S369-G372 WeakPolarHBondContact O-CA 3.49Å; S369-G372 PolarHBondContact O-N 3.26Å; S369-R373 PolarHBondContact O-N 3.39Å; S369-R373 VanDerWaalsContact O-N 3.15Å; S369-A374 WeakPolarHBondContact O-CB 3.29Å; S369-A374 PolarHBondContact O-N 2.59Å
370	K	94.7	Very high	93.7	Very high	106 Å²	106	52.6 Å²	52.6	46%	0.461	27%	0.268	S	S	.	.	G	3₁₀ helix	trans	47.4	43.5	-179.3	-158.3	-177.5	-178.5	174.8	0	112.8	C252 F368 G372 R373 A374	C252-K370 PolarHBondContact O-N 3.49Å; F368-K370 HydrophobicContact CD1-CB 4.31Å; F368-K370 HydrophobicContact CE1-CB 3.61Å; F368-K370 HydrophobicContact CE1-CD 4.15Å; F368-K370 HydrophobicContact CE1-CG 4.01Å; F368-K370 HydrophobicContact CZ-CB 3.72Å; F368-K370 HydrophobicContact CZ-CD 4.34Å; F368-K370 HydrophobicContact CZ-CG 3.86Å; K370-G372 VanDerWaalsContact C-N 3.35Å; K370-R373 HydrophobicContact CB-CB 4.45Å; K370-R373 WeakPolarHBondContact O-CB 3.48Å; K370-R373 PolarHBondContact O-N 3.39Å; K370-R373 PolarHBondContact O-NE 2.97Å; K370-R373 VanDerWaalsContact O-NE 3.17Å; K370-A374 HydrophobicContact CB-CB 4.15Å
371	Y	93.8	Very high	93.8	Very high	108 Å²	108	51 Å²	51	42%	0.424	26%	0.257	S	S	.	.	G	3₁₀ helix	trans	61.7	39.5	-176	-47.3	-74.5	0	0	0	113.4	Y250 P251 C252 S369 R373 Y564	Y250-Y371 VanDerWaalsContact CB-C 3.49Å; P251-Y371 WeakPolarHBondContact O-CA 3.37Å; P251-Y371 PolarHBondContact O-N 3.16Å; P251-Y371 VanDerWaalsContact O-N 3.09Å; C252-Y371 HydrophobicContact CB-CE1 3.84Å; C252-Y371 HydrophobicContact CB-CE2 4.32Å; S369-Y371 PolarHBondContact O-N 3.05Å; Y371-R373 VanDerWaalsContact C-N 3.3Å; Y371-R373 PolarHBondContact O-N 3.43Å; Y371-Y564 VanDerWaalsContact CE1-OXT 3.24Å; Y371-Y564 WeakPolarHBondContact CE1-OXT 3.32Å
372	G	93.3	Very high	93.9	Very high	25 Å²	25	54.9 Å²	54.9	26%	0.258	28%	0.277	S	S	.	.	G	3₁₀ helix	trans	87	-8.2	179.6	0	0	0	0	0	114.4	Y250 S369 K370	Y250-G372 VanDerWaalsContact CB-N 3.28Å; S369-G372 CarbonylContact O-C 3.53Å; S369-G372 WeakPolarHBondContact O-CA 3.49Å; S369-G372 PolarHBondContact O-N 3.26Å; K370-G372 VanDerWaalsContact C-N 3.35Å
373	R	95.4	Very high	93.8	Very high	178 Å²	178	58.7 Å²	58.7	67%	0.672	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.2	-16.7	-176.8	-63.5	-179.7	-69.6	-145.1	3.1	114.4	S369 K370 Y371	S369-R373 PolarHBondContact O-N 3.39Å; S369-R373 VanDerWaalsContact O-N 3.15Å; K370-R373 HydrophobicContact CB-CB 4.45Å; K370-R373 WeakPolarHBondContact O-CB 3.48Å; K370-R373 PolarHBondContact O-N 3.39Å; K370-R373 PolarHBondContact O-NE 2.97Å; K370-R373 VanDerWaalsContact O-NE 3.17Å; Y371-R373 VanDerWaalsContact C-N 3.3Å; Y371-R373 PolarHBondContact O-N 3.43Å
374	A	94.2	Very high	93.4	Very high	22 Å²	22	65.2 Å²	65.2	18%	0.182	32%	0.315	C	S	.	.	S	Bend	trans	-77.3	147.8	177.1	0	0	0	0	0	111.1	F368 S369 K370 G376 A377	F368-A374 HydrophobicContact CD1-CB 4.4Å; F368-A374 WeakPolarHBondContact O-CB 3.32Å; S369-A374 WeakPolarHBondContact O-CB 3.29Å; S369-A374 PolarHBondContact O-N 2.59Å; K370-A374 HydrophobicContact CB-CB 4.15Å; A374-G376 PolarHBondContact O-N 3.11Å; A374-A377 WeakPolarHBondContact O-CB 3.13Å; A374-A377 PolarHBondContact O-N 3.09Å
375	T	94	Very high	92.9	Very high	128 Å²	128	66 Å²	66	79%	0.785	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.3	129.8	179.8	-54.6	0	0	0	0	111.5	K367 A377	K367-T375 WeakPolarHBondContact CE-O 2.96Å; K367-T375 PolarHBondContact NZ-O 3.45Å; T375-A377 PolarHBondContact O-N 2.88Å
376	G	93.6	Very high	92.4	Very high	40 Å²	40	64.1 Å²	64.1	41%	0.412	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	70.8	7.6	179.6	0	0	0	0	0	115.5	A374 Y380	A374-G376 PolarHBondContact O-N 3.11Å; G376-Y380 VanDerWaalsContact O-CB 3.32Å; G376-Y380 WeakPolarHBondContact O-CB 3.42Å; G376-Y380 PolarHBondContact O-N 3.18Å
377	A	94.1	Very high	91.7	Very high	1 Å²	1	67.2 Å²	67.2	1%	0.008	33%	0.325	C	S	.	.	H	α-helix	trans	-60.5	-44.4	179.4	0	0	0	0	0	112.7	A374 T375 Y380 A381	A374-A377 WeakPolarHBondContact O-CB 3.13Å; A374-A377 PolarHBondContact O-N 3.09Å; T375-A377 PolarHBondContact O-N 2.88Å; A377-Y380 PolarHBondContact O-N 2.9Å; A377-A381 WeakPolarHBondContact O-CB 3.45Å; A377-A381 PolarHBondContact O-N 3Å
378	E	93.1	Very high	90.7	Very high	117 Å²	117	69.9 Å²	69.9	55%	0.547	34%	0.338	S	S	.	.	H	α-helix	trans	-62.5	-53.4	177.3	173.3	167.3	-155.6	0	0	111.8	Y250 Y380 A381 L382	Y250-E378 HydrophobicContact CE1-CB 4.19Å; Y250-E378 WeakPolarHBondContact OH-CG 3.3Å; E378-Y380 VanDerWaalsContact C-N 3.26Å; E378-Y380 PolarHBondContact O-N 3.36Å; E378-A381 PolarHBondContact O-N 2.88Å; E378-A381 VanDerWaalsContact O-N 3.16Å; E378-L382 HydrophobicContact CG-CD1 3.84Å; E378-L382 HydrophobicContact CG-CG 4.49Å; E378-L382 WeakPolarHBondContact O-CG 3.41Å; E378-L382 PolarHBondContact O-N 3.22Å
379	H	93.4	Very high	89.8	Confident	126 Å²	126	68.1 Å²	68.1	58%	0.583	33%	0.333	S	S	*	.	H	α-helix	trans	-57.3	-39.7	178	177.9	-95.1	0	0	0	112.2	R383	H379-R383 WeakPolarHBondContact O-CG 3.44Å
380	Y	93.5	Very high	89.1	Confident	4 Å²	4	69.5 Å²	69.5	2%	0.016	34%	0.341	C	S	.	.	H	α-helix	trans	-65.7	-47.4	176.5	179.5	-90.2	0	0	0	112.2	Y254 K367 G376 A377 E378 L382 R383 V386 L424 A426 F560	Y254-Y380 HydrophobicContact CD1-CE1 4.23Å; Y254-Y380 AromaticContact CD2-CD1 3.8Å; Y254-Y380 HydrophobicContact CD2-CD1 3.8Å; Y254-Y380 AromaticContact CD2-CE1 3.5Å; Y254-Y380 HydrophobicContact CD2-CE1 3.5Å; Y254-Y380 AromaticContact CE2-CD1 3.97Å; Y254-Y380 HydrophobicContact CE2-CD1 3.97Å; Y254-Y380 HydrophobicContact CE2-CE1 4.05Å; Y254-Y380 HydrophobicContact CG-CD1 4.34Å; Y254-Y380 AromaticContact CG-CE1 3.6Å; Y254-Y380 HydrophobicContact CG-CE1 3.6Å; K367-Y380 HydrophobicContact CB-CD1 3.8Å; K367-Y380 HydrophobicContact CB-CD2 4.17Å; K367-Y380 HydrophobicContact CB-CE1 3.61Å; K367-Y380 HydrophobicContact CB-CE2 3.98Å; K367-Y380 HydrophobicContact CB-CG 4.07Å; K367-Y380 HydrophobicContact CG-CD1 3.74Å; K367-Y380 HydrophobicContact CG-CD2 4.2Å; K367-Y380 HydrophobicContact CG-CE1 4.11Å; K367-Y380 HydrophobicContact CG-CG 3.79Å; G376-Y380 VanDerWaalsContact O-CB 3.32Å; G376-Y380 WeakPolarHBondContact O-CB 3.42Å; G376-Y380 PolarHBondContact O-N 3.18Å; A377-Y380 PolarHBondContact O-N 2.9Å; E378-Y380 VanDerWaalsContact C-N 3.26Å; E378-Y380 PolarHBondContact O-N 3.36Å; Y380-L382 VanDerWaalsContact C-N 3.29Å; Y380-L382 PolarHBondContact O-N 3.01Å; Y380-R383 WeakPolarHBondContact O-CB 3.46Å; Y380-R383 WeakPolarHBondContact O-CG 3.39Å; Y380-R383 PolarHBondContact O-N 2.96Å; Y380-V386 HydrophobicContact CD1-CG1 4.28Å; Y380-V386 HydrophobicContact CD1-CG2 4.24Å; Y380-V386 HydrophobicContact CD2-CG2 4.48Å; Y380-V386 HydrophobicContact CE1-CB 4.44Å; Y380-V386 HydrophobicContact CE1-CG1 3.8Å; Y380-V386 HydrophobicContact CE1-CG2 3.75Å; Y380-V386 HydrophobicContact CE2-CG2 4.03Å; Y380-L424 WeakPolarHBondContact CE2-O 3.35Å; Y380-L424 PolarHBondContact OH-O 3.17Å; Y380-A426 HydrophobicContact CD2-CB 3.4Å; Y380-A426 VanDerWaalsContact CD2-CB 3.4Å; Y380-A426 HydrophobicContact CE2-CB 3.41Å; Y380-A426 VanDerWaalsContact CE2-CB 3.41Å; Y380-A426 HydrophobicContact CG-CB 4.46Å; Y380-F560 WeakPolarHBondContact OH-CZ 3Å
381	A	90.9	Very high	88.4	Confident	1 Å²	1	65.7 Å²	65.7	1%	0.008	33%	0.325	C	S	.	.	H	α-helix	trans	-64.3	-33.1	-178.4	0	0	0	0	0	112.9	Y250 Y254 A377 E378 R383 N387	Y250-A381 HydrophobicContact CD1-CB 3.8Å; Y250-A381 HydrophobicContact CE1-CB 3.77Å; Y254-A381 HydrophobicContact CE2-CB 4.32Å; Y254-A381 VanDerWaalsContact OH-CB 3.31Å; Y254-A381 WeakPolarHBondContact OH-CB 3.2Å; A377-A381 WeakPolarHBondContact O-CB 3.45Å; A377-A381 PolarHBondContact O-N 3Å; E378-A381 PolarHBondContact O-N 2.88Å; E378-A381 VanDerWaalsContact O-N 3.16Å; A381-R383 VanDerWaalsContact C-N 3.29Å; A381-R383 PolarHBondContact O-N 3.5Å; A381-N387 WeakPolarHBondContact O-CB 3.47Å
382	L	89.8	Confident	87.9	Confident	99 Å²	99	60.6 Å²	60.6	52%	0.518	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.7	-5.4	178.6	-65.6	175.4	0	0	0	113.9	E378 Y380 R384	E378-L382 HydrophobicContact CG-CD1 3.84Å; E378-L382 HydrophobicContact CG-CG 4.49Å; E378-L382 WeakPolarHBondContact O-CG 3.41Å; E378-L382 PolarHBondContact O-N 3.22Å; Y380-L382 VanDerWaalsContact C-N 3.29Å; Y380-L382 PolarHBondContact O-N 3.01Å; L382-R384 PolarHBondContact O-N 2.78Å
383	R	90.8	Very high	87.5	Confident	81 Å²	81	63.2 Å²	63.2	31%	0.306	31%	0.31	S	S	.	.			trans	-62.3	131.4	175.3	-69.3	179.1	178	-179.2	-1.5	109.8	H379 Y380 A381 S385 V386 N387	H379-R383 WeakPolarHBondContact O-CG 3.44Å; Y380-R383 WeakPolarHBondContact O-CB 3.46Å; Y380-R383 WeakPolarHBondContact O-CG 3.39Å; Y380-R383 PolarHBondContact O-N 2.96Å; A381-R383 VanDerWaalsContact C-N 3.29Å; A381-R383 PolarHBondContact O-N 3.5Å; R383-S385 PolarHBondContact O-N 3.05Å; R383-S385 VanDerWaalsContact O-N 3.17Å; R383-V386 HydrophobicContact CB-CB 4.27Å; R383-V386 HydrophobicContact CB-CG2 4.04Å; R383-V386 PolarHBondContact O-N 2.89Å; R383-N387 PolarHBondContact O-N 3.02Å
384	R	85.9	Confident	87.1	Confident	167 Å²	167	55.5 Å²	55.5	63%	0.63	28%	0.282	S	S	*	.	H	α-helix	trans	-54.6	-36.7	175.3	-161.3	178.7	-174.6	-176.1	-3.5	112.8	L382 V386 E388 N389	L382-R384 PolarHBondContact O-N 2.78Å; R384-V386 VanDerWaalsContact C-N 3.32Å; R384-V386 PolarHBondContact O-N 3.44Å; R384-E388 HydrophobicContact CG-CB 4.07Å; R384-E388 HydrophobicContact CG-CG 4.25Å; R384-E388 WeakPolarHBondContact CG-OE2 3.44Å; R384-E388 IonicContact CZ-OE2 2.83Å; R384-E388 IonicContact NE-OE2 2.63Å; R384-E388 PolarHBondContact NE-OE2 3.19Å; R384-E388 IonicContact NH2-OE2 2.67Å; R384-E388 WeakPolarHBondContact O-CB 3.31Å; R384-E388 PolarHBondContact O-N 3.29Å; R384-N389 PolarHBondContact O-N 3.45Å
385	S	84.8	Confident	86.9	Confident	16 Å²	16	55.5 Å²	55.5	11%	0.112	28%	0.278	C	S	.	.	I	π-helix	trans	-58.3	-43.3	174.2	52	0	0	0	0	112.4	R383 L390 H423	R383-S385 PolarHBondContact O-N 3.05Å; R383-S385 VanDerWaalsContact O-N 3.17Å; S385-L390 WeakPolarHBondContact O-CB 3.32Å; S385-L390 WeakPolarHBondContact O-CG 3.47Å; S385-L390 PolarHBondContact O-N 2.96Å; S385-H423 PolarHBondContact OG-O 3.37Å; S385-H423 VanDerWaalsContact OG-O 3.04Å
386	V	85.7	Confident	86.7	Confident	0 Å²	0	52 Å²	52	0%	0	26%	0.256	C	S	.	.	I	π-helix	trans	-79.8	-48.2	-177.1	178.2	0	0	0	0	111.4	Y254 Y380 R383 R384 L391 L424 F560	Y254-V386 HydrophobicContact CD1-CG1 3.87Å; Y254-V386 HydrophobicContact CE1-CG1 3.65Å; Y380-V386 HydrophobicContact CD1-CG1 4.28Å; Y380-V386 HydrophobicContact CD1-CG2 4.24Å; Y380-V386 HydrophobicContact CD2-CG2 4.48Å; Y380-V386 HydrophobicContact CE1-CB 4.44Å; Y380-V386 HydrophobicContact CE1-CG1 3.8Å; Y380-V386 HydrophobicContact CE1-CG2 3.75Å; Y380-V386 HydrophobicContact CE2-CG2 4.03Å; R383-V386 HydrophobicContact CB-CB 4.27Å; R383-V386 HydrophobicContact CB-CG2 4.04Å; R383-V386 PolarHBondContact O-N 2.89Å; R384-V386 VanDerWaalsContact C-N 3.32Å; R384-V386 PolarHBondContact O-N 3.44Å; V386-L391 WeakPolarHBondContact O-CB 3.19Å; V386-L424 HydrophobicContact CG2-CD2 3.83Å; V386-F560 HydrophobicContact CG1-CE1 4.45Å
387	N	80.3	Confident	86.7	Confident	65 Å²	65	50.1 Å²	50.1	35%	0.348	24%	0.237	S	C	.	.	I	π-helix	trans	-85.5	-30.1	-171.2	-164.8	9.6	0	0	0	114.2	A381 R383	A381-N387 WeakPolarHBondContact O-CB 3.47Å; R383-N387 PolarHBondContact O-N 3.02Å
388	E	74.3	Confident	86.7	Confident	76 Å²	76	52.4 Å²	52.4	36%	0.355	25%	0.247	S	C	.	.	I	π-helix	trans	-117	-43.6	-171.4	-60.5	-176.8	177.4	0	0	113.2	R384	R384-E388 HydrophobicContact CG-CB 4.07Å; R384-E388 HydrophobicContact CG-CG 4.25Å; R384-E388 WeakPolarHBondContact CG-OE2 3.44Å; R384-E388 IonicContact CZ-OE2 2.83Å; R384-E388 IonicContact NE-OE2 2.63Å; R384-E388 PolarHBondContact NE-OE2 3.19Å; R384-E388 IonicContact NH2-OE2 2.67Å; R384-E388 WeakPolarHBondContact O-CB 3.31Å; R384-E388 PolarHBondContact O-N 3.29Å
389	N	75	Confident	86.9	Confident	70 Å²	70	46.8 Å²	46.8	37%	0.374	22%	0.221	S	C	.	.	I	π-helix	trans	-96.7	-34.4	-162.2	-67.8	-20.6	0	0	0	114.7	R384 K393	R384-N389 PolarHBondContact O-N 3.45Å; N389-K393 WeakPolarHBondContact O-CD 3.42Å; N389-K393 WeakPolarHBondContact O-CE 3.44Å; N389-K393 PolarHBondContact O-NZ 3.49Å
390	L	80.5	Confident	87.1	Confident	29 Å²	29	42.6 Å²	42.6	15%	0.152	20%	0.204	C	C	.	.	S	Bend	trans	-122.1	-11.1	-168.5	-53.2	176.1	0	0	0	114.4	S385 G392 K393 F395 H423 L424	S385-L390 WeakPolarHBondContact O-CB 3.32Å; S385-L390 WeakPolarHBondContact O-CG 3.47Å; S385-L390 PolarHBondContact O-N 2.96Å; L390-G392 PolarHBondContact O-N 3.42Å; L390-K393 HydrophobicContact CD2-CD 3.91Å; L390-K393 WeakPolarHBondContact O-CB 3.34Å; L390-K393 PolarHBondContact O-N 3.06Å; L390-K393 VanDerWaalsContact O-N 3.11Å; L390-F395 HydrophobicContact CB-CZ 4.29Å; L390-F395 HydrophobicContact CD2-CZ 4.3Å; L390-H423 HydrophobicContact CD1-CB 4.4Å; L390-L424 HydrophobicContact CB-CD1 3.94Å; L390-L424 HydrophobicContact CB-CD2 4.11Å; L390-L424 HydrophobicContact CB-CG 4.44Å; L390-L424 HydrophobicContact CD1-CD1 3.66Å; L390-L424 HydrophobicContact CD1-CD2 3.74Å; L390-L424 HydrophobicContact CD1-CG 3.59Å; L390-L424 HydrophobicContact CG-CD1 4.42Å; L390-L424 HydrophobicContact CG-CD2 4.49Å
391	L	81	Confident	87.3	Confident	26 Å²	26	42.4 Å²	42.4	14%	0.136	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.8	130	173.6	-163.4	67.2	0	0	0	110.7	V386 K393 F560	V386-L391 WeakPolarHBondContact O-CB 3.19Å; L391-K393 VanDerWaalsContact C-N 3.27Å; L391-K393 PolarHBondContact O-N 3.42Å; L391-F560 HydrophobicContact CD1-CD1 4.37Å; L391-F560 HydrophobicContact CD1-CE1 4.4Å
392	G	81.5	Confident	87.6	Confident	1 Å²	1	42.4 Å²	42.4	1%	0.01	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	77.1	5.3	-177.1	0	0	0	0	0	114.5	I102 L390 F560	I102-G392 WeakPolarHBondContact CD1-O 3.31Å; I102-G392 WeakPolarHBondContact CG1-O 3.49Å; L390-G392 PolarHBondContact O-N 3.42Å; G392-F560 WeakPolarHBondContact CA-O 3.36Å; G392-F560 PolarHBondContact N-O 2.84Å
393	K	85.2	Confident	88	Confident	80 Å²	80	38 Å²	38	35%	0.348	18%	0.18	S	C	.	.			trans	-81.7	149.7	173.7	-72.6	-165.8	173.4	162.4	0	112.2	P95 N389 L390 L391 F395 T559 F560	P95-K393 HydrophobicContact CB-CG 3.94Å; P95-K393 HydrophobicContact CG-CD 4.39Å; P95-K393 HydrophobicContact CG-CG 3.58Å; N389-K393 WeakPolarHBondContact O-CD 3.42Å; N389-K393 WeakPolarHBondContact O-CE 3.44Å; N389-K393 PolarHBondContact O-NZ 3.49Å; L390-K393 HydrophobicContact CD2-CD 3.91Å; L390-K393 WeakPolarHBondContact O-CB 3.34Å; L390-K393 PolarHBondContact O-N 3.06Å; L390-K393 VanDerWaalsContact O-N 3.11Å; L391-K393 VanDerWaalsContact C-N 3.27Å; L391-K393 PolarHBondContact O-N 3.42Å; K393-F395 HydrophobicContact CB-CE2 3.76Å; K393-F395 HydrophobicContact CB-CZ 4.02Å; K393-F395 WeakPolarHBondContact O-CD2 3.23Å; K393-F395 WeakPolarHBondContact O-CE2 3.27Å; K393-T559 WeakPolarHBondContact O-CA 3.12Å; K393-F560 PolarHBondContact O-N 2.8Å
394	L	87.4	Confident	88.3	Confident	16 Å²	16	34.2 Å²	34.2	8%	0.084	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	141.6	172.3	-69.1	170.5	0	0	0	111.9	E101 I102 W105 V558 T559	E101-L394 HydrophobicContact CB-CD1 3.75Å; E101-L394 HydrophobicContact CG-CD1 3.52Å; I102-L394 HydrophobicContact CB-CD1 4.08Å; I102-L394 HydrophobicContact CB-CG 4.21Å; I102-L394 HydrophobicContact CD1-CD2 4.16Å; I102-L394 HydrophobicContact CD1-CG 4.02Å; W105-L394 HydrophobicContact CD2-CD1 4.38Å; W105-L394 HydrophobicContact CD2-CD2 3.42Å; W105-L394 VanDerWaalsContact CD2-CD2 3.42Å; W105-L394 HydrophobicContact CE3-CD2 3.47Å; W105-L394 VanDerWaalsContact CE3-CD2 3.47Å; W105-L394 HydrophobicContact CG-CD1 4.17Å; W105-L394 HydrophobicContact CG-CD2 3.94Å; W105-L394 HydrophobicContact CH2-CD2 4.36Å; W105-L394 HydrophobicContact CZ2-CD2 4.31Å; W105-L394 HydrophobicContact CZ3-CD2 3.9Å; L394-V558 CarbonylContact C-O 3.55Å; L394-V558 WeakPolarHBondContact CA-O 3.48Å; L394-T559 WeakPolarHBondContact CD2-OG1 3.47Å
395	F	89.2	Confident	88.9	Confident	23 Å²	23	26.3 Å²	26.3	10%	0.101	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	160.5	177.5	-64	-85.6	0	0	0	110.2	W256 L390 K393 P416 V420 L424 R557 V558 F560	W256-F395 AromaticContact CD1-CD2 3.66Å; W256-F395 AromaticContact NE1-CD2 3.41Å; W256-F395 AromaticContact NE1-CE2 3.95Å; W256-F395 AromaticContact NE1-CG 3.72Å; L390-F395 HydrophobicContact CB-CZ 4.29Å; L390-F395 HydrophobicContact CD2-CZ 4.3Å; K393-F395 HydrophobicContact CB-CE2 3.76Å; K393-F395 HydrophobicContact CB-CZ 4.02Å; K393-F395 WeakPolarHBondContact O-CD2 3.23Å; K393-F395 WeakPolarHBondContact O-CE2 3.27Å; F395-P416 HydrophobicContact CB-CG 3.92Å; F395-P416 HydrophobicContact CD1-CG 4.21Å; F395-P416 HydrophobicContact CG-CG 4.41Å; F395-V420 HydrophobicContact CD1-CG1 4.25Å; F395-V420 HydrophobicContact CD1-CG2 3.6Å; F395-V420 HydrophobicContact CE1-CB 4.48Å; F395-V420 HydrophobicContact CE1-CG1 4.25Å; F395-V420 HydrophobicContact CE1-CG2 3.39Å; F395-V420 HydrophobicContact CZ-CG2 4.47Å; F395-L424 HydrophobicContact CE2-CD1 4.29Å; F395-L424 HydrophobicContact CZ-CD1 4Å; F395-R557 VanDerWaalsContact C-NH1 3.33Å; F395-R557 CarbonylContact O-C 3.58Å; F395-R557 WeakPolarHBondContact O-CA 3.1Å; F395-R557 PolarHBondContact O-NH1 3.28Å; F395-V558 HydrophobicContact CB-CG2 4.15Å; F395-V558 PolarHBondContact N-O 2.68Å; F395-V558 PolarHBondContact O-N 2.8Å; F395-F560 HydrophobicContact CD2-CB 3.93Å; F395-F560 HydrophobicContact CE2-CB 3.55Å
396	T	90.7	Very high	89.3	Confident	55 Å²	55	27.2 Å²	27.2	34%	0.337	14%	0.143	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	118.1	171.3	-57.1	0	0	0	0	109	P416 H555 Y556 R557	T396-P416 WeakPolarHBondContact O-CG 3.46Å; T396-H555 HydrophobicContact CG2-CB 4.04Å; T396-Y556 CarbonylContact C-O 3.51Å; T396-Y556 VanDerWaalsContact CA-O 3.31Å; T396-Y556 WeakPolarHBondContact CA-O 3.49Å; T396-R557 VanDerWaalsContact OG1-CD 3.28Å; T396-R557 WeakPolarHBondContact OG1-CD 3.16Å; T396-R557 PolarHBondContact OG1-NH1 3.12Å
397	V	93.3	Very high	89.8	Confident	0 Å²	0	28.9 Å²	28.9	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	159.6	175.7	-64.9	0	0	0	0	110.6	W258 I364 V413 L415 P416 H555 Y556 V558	W258-V397 HydrophobicContact CH2-CG2 4.17Å; W258-V397 HydrophobicContact CZ2-CG2 3.98Å; I364-V397 HydrophobicContact CD1-CB 4.36Å; I364-V397 HydrophobicContact CD1-CG1 3.98Å; I364-V397 HydrophobicContact CD1-CG2 4.12Å; V397-V413 HydrophobicContact CB-CG1 3.88Å; V397-V413 HydrophobicContact CG1-CG1 4.32Å; V397-V413 HydrophobicContact CG2-CG1 4.39Å; V397-L415 HydrophobicContact CG1-CD2 4.47Å; V397-P416 HydrophobicContact CG1-CG 4.28Å; V397-H555 WeakPolarHBondContact O-CA 3.37Å; V397-Y556 PolarHBondContact N-O 3.1Å; V397-Y556 PolarHBondContact O-N 3.26Å; V397-V558 HydrophobicContact CB-CG2 4.44Å; V397-V558 HydrophobicContact CG1-CG2 3.63Å; V397-V558 HydrophobicContact CG2-CG1 3.92Å; V397-V558 HydrophobicContact CG2-CG2 4.05Å
398	Q	95	Very high	90.6	Very high	48 Å²	48	25.8 Å²	25.8	22%	0.224	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	119.6	177.7	-72.2	178.4	-21.9	0	0	110.2	V413 K414 P553 Q554 H555	Q398-V413 CarbonylContact O-C 3.53Å; Q398-V413 WeakPolarHBondContact O-CA 3.42Å; Q398-K414 HydrophobicContact CB-CB 4.09Å; Q398-K414 PolarHBondContact N-O 2.76Å; Q398-K414 PolarHBondContact O-N 2.95Å; Q398-P553 HydrophobicContact CB-CB 3.98Å; Q398-P553 HydrophobicContact CG-CB 4.28Å; Q398-Q554 CarbonylContact C-O 3.4Å; Q398-Q554 WeakPolarHBondContact CA-O 3.41Å; Q398-H555 PolarHBondContact NE2-NE2 2.96Å
399	I	96.5	Very high	91.7	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	123.8	165.6	-55.4	-56.7	0	0	0	107.8	L301 W304 A411 V413 L550 P553 Q554 Y556	L301-I399 HydrophobicContact CD1-CD1 4.02Å; L301-I399 HydrophobicContact CD1-CG1 3.82Å; W304-I399 HydrophobicContact CE3-CG2 4.34Å; W304-I399 HydrophobicContact CH2-CG2 3.44Å; W304-I399 VanDerWaalsContact CH2-CG2 3.44Å; W304-I399 HydrophobicContact CZ2-CG2 4.24Å; W304-I399 HydrophobicContact CZ3-CG2 3.51Å; I399-A411 HydrophobicContact CD1-CB 4.4Å; I399-A411 HydrophobicContact CG2-CB 4.2Å; I399-V413 HydrophobicContact CD1-CG2 3.72Å; I399-L550 HydrophobicContact CG2-CD1 4.39Å; I399-L550 WeakPolarHBondContact O-CD1 3.24Å; I399-P553 CarbonylContact O-C 3.57Å; I399-P553 VanDerWaalsContact O-CA 3.24Å; I399-P553 WeakPolarHBondContact O-CA 3.47Å; I399-Q554 HydrophobicContact CB-CB 4.37Å; I399-Q554 PolarHBondContact N-O 2.78Å; I399-Q554 PolarHBondContact O-N 3.35Å; I399-Y556 HydrophobicContact CB-CD2 4.41Å; I399-Y556 HydrophobicContact CB-CE2 4.26Å; I399-Y556 HydrophobicContact CG1-CD2 3.51Å; I399-Y556 HydrophobicContact CG1-CE2 3.6Å
400	T	97.2	Very high	92.8	Very high	38 Å²	38	19 Å²	19	23%	0.233	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	-16.4	-173.3	54.1	0	0	0	0	113.2	R412 K414 L550 P553	T400-R412 PolarHBondContact N-O 3.3Å; T400-R412 VanDerWaalsContact OG1-CB 3.25Å; T400-R412 WeakPolarHBondContact OG1-CB 3.41Å; T400-R412 PolarHBondContact OG1-O 2.64Å; T400-R412 VanDerWaalsContact OG1-O 3.09Å; T400-K414 HydrophobicContact CG2-CB 3.89Å; T400-L550 WeakPolarHBondContact O-CB 3.19Å; T400-L550 PolarHBondContact O-N 3.33Å; T400-P553 HydrophobicContact CG2-CB 4.29Å; T400-P553 HydrophobicContact CG2-CG 4.32Å
401	G	97.9	Very high	93.7	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	169.9	-174.9	-175	0	0	0	0	0	113.4	A411 R412 Y548	G401-A411 CarbonylContact O-C 3.34Å; G401-A411 WeakPolarHBondContact O-CA 3.44Å; G401-R412 PolarHBondContact O-N 2.93Å; G401-Y548 CarbonylContact C-O 3.6Å; G401-Y548 WeakPolarHBondContact CA-O 3.37Å
402	L	97.9	Very high	94.5	Very high	0 Å²	0	17.9 Å²	17.9	0%	0	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	139.5	176.6	-165.8	73.6	0	0	0	109.5	W304 V308 I404 I409 A411 M455 V547 Y548	W304-L402 HydrophobicContact CH2-CB 4.39Å; V308-L402 HydrophobicContact CG1-CD2 3.99Å; L402-I404 HydrophobicContact CD2-CD1 3.99Å; L402-I404 HydrophobicContact CD2-CG1 3.93Å; L402-I404 HydrophobicContact CG-CG1 4.23Å; L402-I409 HydrophobicContact CD1-CG2 3.98Å; L402-I409 HydrophobicContact CD2-CG2 4.13Å; L402-I409 HydrophobicContact CG-CG2 4.18Å; L402-A411 HydrophobicContact CD1-CB 4.46Å; L402-M455 HydrophobicContact CD1-SD 3.71Å; L402-V547 WeakPolarHBondContact O-CA 3.29Å; L402-Y548 HydrophobicContact CB-CD1 4.4Å; L402-Y548 PolarHBondContact N-O 3.11Å; L402-Y548 PolarHBondContact O-N 3.49Å
403	V	98.2	Very high	95.2	Very high	6 Å²	6	18.3 Å²	18.3	4%	0.036	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	127.4	170.3	178	0	0	0	0	108	T405 I409 G410 R412 L470 V473 I545 V547	V403-T405 HydrophobicContact CG1-CG2 3.97Å; V403-I409 WeakPolarHBondContact O-CA 3.4Å; V403-G410 PolarHBondContact N-O 3.37Å; V403-G410 PolarHBondContact O-N 2.75Å; V403-R412 HydrophobicContact CG2-CG 3.64Å; V403-L470 HydrophobicContact CG2-CD1 4.13Å; V403-V473 HydrophobicContact CG1-CG2 4.12Å; V403-I545 HydrophobicContact CG1-CG2 3.75Å; V403-V547 HydrophobicContact CG2-CG2 4.43Å
404	I	97.9	Very high	95.7	Very high	2 Å²	2	20.4 Å²	20.4	1%	0.01	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	117.6	179.2	-58.1	160.4	0	0	0	107.6	L309 I312 W341 L402 I409 Y546	L309-I404 HydrophobicContact CD1-CD1 3.65Å; L309-I404 HydrophobicContact CD1-CG1 4.02Å; L309-I404 HydrophobicContact CD1-CG2 4.34Å; I312-I404 HydrophobicContact CB-CD1 4.28Å; I312-I404 HydrophobicContact CD1-CD1 3.75Å; I312-I404 HydrophobicContact CG2-CD1 3.95Å; W341-I404 HydrophobicContact CH2-CG2 4.23Å; W341-I404 HydrophobicContact CZ2-CG2 3.98Å; L402-I404 HydrophobicContact CD2-CD1 3.99Å; L402-I404 HydrophobicContact CD2-CG1 3.93Å; L402-I404 HydrophobicContact CG-CG1 4.23Å; I404-I409 HydrophobicContact CG1-CG2 4.37Å; I404-I409 HydrophobicContact CG2-CG1 4.28Å; I404-Y546 PolarHBondContact N-O 3.31Å; I404-Y546 PolarHBondContact O-N 2.85Å
405	T	96.6	Very high	95.9	Very high	2 Å²	2	20.1 Å²	20.1	1%	0.012	10%	0.101	C	C	.	.			trans	-121.4	169.2	173.8	81.7	0	0	0	0	109.8	W341 V403 R407 T408 D469 I545	W341-T405 WeakPolarHBondContact CZ2-O 3.47Å; W341-T405 PolarHBondContact NE1-O 2.8Å; V403-T405 HydrophobicContact CG1-CG2 3.97Å; T405-R407 PolarHBondContact O-N 2.83Å; T405-R407 VanDerWaalsContact O-N 3.08Å; T405-R407 PolarHBondContact OG1-N 2.88Å; T405-T408 PolarHBondContact N-O 3.49Å; T405-T408 PolarHBondContact OG1-N 3.34Å; T405-T408 PolarHBondContact OG1-O 3.42Å; T405-T408 PolarHBondContact OG1-OG1 3.01Å; T405-D469 WeakPolarHBondContact CB-OD2 3.35Å; T405-D469 HydrophobicContact CG2-CB 3.81Å; T405-D469 VanDerWaalsContact CG2-OD2 3.23Å; T405-D469 WeakPolarHBondContact CG2-OD2 3.44Å; T405-D469 PolarHBondContact OG1-OD2 2.88Å; T405-I545 HydrophobicContact CG2-CB 4.42Å; T405-I545 HydrophobicContact CG2-CD1 3.76Å; T405-I545 HydrophobicContact CG2-CG1 3.82Å; T405-I545 HydrophobicContact CG2-CG2 3.97Å
406	S	94.8	Very high	95.5	Very high	34 Å²	34	20 Å²	20	24%	0.238	10%	0.103	C	C	.	.	S	Bend	trans	-59.5	-17.5	171.3	60.6	0	0	0	0	113.9	H340 E543	H340-S406 PolarHBondContact NE2-O 3.4Å; S406-E543 PolarHBondContact OG-OE2 3.3Å
407	R	95.4	Very high	94.8	Very high	36 Å²	36	22.3 Å²	22.3	14%	0.136	11%	0.113	C	C	.	.	S	Bend	trans	-105.9	-39.4	-177	-72.2	179	-60.6	-62.7	-10.2	112.8	T405 L457 A458 V461 E465 D469 E543	T405-R407 PolarHBondContact O-N 2.83Å; T405-R407 VanDerWaalsContact O-N 3.08Å; T405-R407 PolarHBondContact OG1-N 2.88Å; R407-L457 CarbonylContact O-C 3.57Å; R407-L457 WeakPolarHBondContact O-CA 3.24Å; R407-A458 PolarHBondContact O-N 3.27Å; R407-V461 HydrophobicContact CB-CG1 4.14Å; R407-V461 HydrophobicContact CB-CG2 4.2Å; R407-V461 HydrophobicContact CG-CG2 4.25Å; R407-E465 HydrophobicContact CB-CG 4.25Å; R407-E465 IonicContact CZ-OE1 2.76Å; R407-E465 IonicContact NE-OE1 3.39Å; R407-E465 PolarHBondContact NE-OE1 3.48Å; R407-D469 IonicContact CZ-OD1 2.85Å; R407-D469 IonicContact NE-OD1 3.71Å; R407-D469 IonicContact NH2-OD1 3Å; R407-D469 PolarHBondContact NH2-OD1 3.3Å; R407-D469 IonicContact NH2-OD2 3.92Å; R407-E543 IonicContact CZ-OE1 3.75Å; R407-E543 IonicContact CZ-OE2 2.61Å; R407-E543 IonicContact NH1-OE1 2.64Å; R407-E543 PolarHBondContact NH1-OE1 3.01Å; R407-E543 IonicContact NH1-OE2 3.83Å; R407-E543 PolarHBondContact NH1-OE2 2.9Å; R407-E543 IonicContact NH2-OE1 2.87Å; R407-E543 PolarHBondContact NH2-OE1 3.45Å; R407-E543 IonicContact NH2-OE2 3.64Å; R407-E543 PolarHBondContact NH2-OE2 3.09Å
408	T	97.4	Very high	93.9	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	151.3	-166.5	73.4	0	0	0	0	112.4	T405 L457 V461 E465 D469	T405-T408 PolarHBondContact N-O 3.49Å; T405-T408 PolarHBondContact OG1-N 3.34Å; T405-T408 PolarHBondContact OG1-O 3.42Å; T405-T408 PolarHBondContact OG1-OG1 3.01Å; T408-L457 HydrophobicContact CG2-CD2 3.67Å; T408-V461 HydrophobicContact CG2-CG1 3.95Å; T408-E465 HydrophobicContact CG2-CB 3.82Å; T408-E465 HydrophobicContact CG2-CG 3.88Å; T408-D469 PolarHBondContact OG1-OD2 3.24Å
409	I	98.1	Very high	93	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	123.3	166.4	-58.9	176.1	0	0	0	107	L309 W341 F349 L402 V403 I404 M455 A456	L309-I409 HydrophobicContact CD1-CD1 3.66Å; L309-I409 HydrophobicContact CD2-CD1 3.61Å; L309-I409 HydrophobicContact CG-CD1 4.27Å; W341-I409 HydrophobicContact CD2-CD1 3.69Å; W341-I409 HydrophobicContact CD2-CG1 4.29Å; W341-I409 HydrophobicContact CE3-CD1 4.01Å; W341-I409 HydrophobicContact CG-CD1 3.96Å; W341-I409 HydrophobicContact CG-CG1 4.38Å; W341-I409 HydrophobicContact CZ2-CD1 4.26Å; W341-I409 HydrophobicContact CZ2-CG1 4.45Å; W341-I409 HydrophobicContact CZ3-CD1 4.43Å; F349-I409 HydrophobicContact CE1-CG2 4.02Å; F349-I409 HydrophobicContact CZ-CG2 4.26Å; L402-I409 HydrophobicContact CD1-CG2 3.98Å; L402-I409 HydrophobicContact CD2-CG2 4.13Å; L402-I409 HydrophobicContact CG-CG2 4.18Å; V403-I409 WeakPolarHBondContact O-CA 3.4Å; I404-I409 HydrophobicContact CG1-CG2 4.37Å; I404-I409 HydrophobicContact CG2-CG1 4.28Å; I409-M455 HydrophobicContact CG2-CB 4.42Å; I409-M455 PolarHBondContact O-N 3.36Å; I409-A456 HydrophobicContact CB-CB 4.09Å; I409-A456 HydrophobicContact CD1-CB 4.12Å; I409-A456 HydrophobicContact CG1-CB 4.37Å; I409-A456 PolarHBondContact N-O 3.12Å; I409-A456 PolarHBondContact O-N 3.05Å
410	G	98.3	Very high	91.9	Very high	2 Å²	2	33.1 Å²	33.1	2%	0.021	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.4	143	-177.7	0	0	0	0	0	114.2	V403 V453	V403-G410 PolarHBondContact N-O 3.37Å; V403-G410 PolarHBondContact O-N 2.75Å; G410-V453 CarbonylContact C-O 3.39Å; G410-V453 WeakPolarHBondContact CA-O 3.44Å
411	A	98.3	Very high	90.9	Very high	1 Å²	1	32.6 Å²	32.6	1%	0.008	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	134	174	0	0	0	0	0	110.8	W304 I399 G401 L402 H452 V453 M455	W304-A411 HydrophobicContact CZ3-CB 4.15Å; I399-A411 HydrophobicContact CD1-CB 4.4Å; I399-A411 HydrophobicContact CG2-CB 4.2Å; G401-A411 CarbonylContact O-C 3.34Å; G401-A411 WeakPolarHBondContact O-CA 3.44Å; L402-A411 HydrophobicContact CD1-CB 4.46Å; A411-H452 CarbonylContact O-C 3.59Å; A411-H452 WeakPolarHBondContact O-CA 3.35Å; A411-H452 WeakPolarHBondContact O-CB 3.47Å; A411-V453 HydrophobicContact CB-CB 4.31Å; A411-V453 PolarHBondContact N-O 3.07Å; A411-V453 PolarHBondContact O-N 3.23Å; A411-M455 HydrophobicContact CB-CE 3.69Å; A411-M455 HydrophobicContact CB-SD 4.19Å
412	R	97.9	Very high	90.1	Very high	31 Å²	31	41.9 Å²	41.9	12%	0.117	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	124.6	174.7	-59.9	-178.9	71.5	172.5	11.1	109.7	T400 G401 V403 L470 E477 D549	T400-R412 PolarHBondContact N-O 3.3Å; T400-R412 VanDerWaalsContact OG1-CB 3.25Å; T400-R412 WeakPolarHBondContact OG1-CB 3.41Å; T400-R412 PolarHBondContact OG1-O 2.64Å; T400-R412 VanDerWaalsContact OG1-O 3.09Å; G401-R412 PolarHBondContact O-N 2.93Å; V403-R412 HydrophobicContact CG2-CG 3.64Å; R412-L470 HydrophobicContact CG-CD1 3.94Å; R412-E477 IonicContact CZ-OE1 3.81Å; R412-E477 IonicContact CZ-OE2 3.55Å; R412-E477 IonicContact NH1-OE1 3.17Å; R412-E477 PolarHBondContact NH1-OE1 3.28Å; R412-E477 IonicContact NH1-OE2 3.65Å; R412-E477 IonicContact NH2-OE1 2.9Å; R412-E477 PolarHBondContact NH2-OE1 3.3Å; R412-E477 IonicContact NH2-OE2 2.67Å; R412-E477 PolarHBondContact NH2-OE2 2.77Å; R412-D549 IonicContact NH1-OD1 3.81Å; R412-D549 PolarHBondContact NH1-OD1 2.98Å
413	V	97	Very high	89.4	Confident	10 Å²	10	45 Å²	45	6%	0.061	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	131.6	-178.5	-174.2	0	0	0	0	110.8	I364 V397 Q398 I399 L415 A451 V453	I364-V413 HydrophobicContact CD1-CB 4.38Å; I364-V413 HydrophobicContact CD1-CG1 3.73Å; I364-V413 HydrophobicContact CD1-CG2 4.12Å; I364-V413 HydrophobicContact CG1-CG1 4.43Å; I364-V413 HydrophobicContact CG1-CG2 4.07Å; V397-V413 HydrophobicContact CB-CG1 3.88Å; V397-V413 HydrophobicContact CG1-CG1 4.32Å; V397-V413 HydrophobicContact CG2-CG1 4.39Å; Q398-V413 CarbonylContact O-C 3.53Å; Q398-V413 WeakPolarHBondContact O-CA 3.42Å; I399-V413 HydrophobicContact CD1-CG2 3.72Å; V413-L415 HydrophobicContact CG1-CD2 4.45Å; V413-A451 HydrophobicContact CB-CB 4.07Å; V413-A451 PolarHBondContact N-O 3.47Å; V413-A451 WeakPolarHBondContact O-CB 3.44Å; V413-V453 HydrophobicContact CG2-CG2 3.96Å
414	K	94.8	Very high	89.1	Confident	125 Å²	125	44.8 Å²	44.8	54%	0.543	21%	0.212	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	118.6	161.1	176.9	171.8	175.7	-173.7	0	108.6	Q398 T400	Q398-K414 HydrophobicContact CB-CB 4.09Å; Q398-K414 PolarHBondContact N-O 2.76Å; Q398-K414 PolarHBondContact O-N 2.95Å; T400-K414 HydrophobicContact CG2-CB 3.89Å
415	L	91.9	Very high	88.9	Confident	10 Å²	10	45.4 Å²	45.4	5%	0.052	21%	0.214	C	C	.	.			trans	-67.3	164.5	179.2	-67.3	175.3	0	0	0	111.2	W256 I364 V397 V413 I421 W425 A451	W256-L415 HydrophobicContact CD2-CD2 4.39Å; W256-L415 HydrophobicContact CE3-CD2 3.83Å; W256-L415 HydrophobicContact CH2-CD1 4.1Å; W256-L415 HydrophobicContact CH2-CD2 3.91Å; W256-L415 HydrophobicContact CZ2-CD2 4.47Å; W256-L415 HydrophobicContact CZ3-CD1 4.14Å; W256-L415 HydrophobicContact CZ3-CD2 3.55Å; I364-L415 HydrophobicContact CG2-CD2 4.14Å; V397-L415 HydrophobicContact CG1-CD2 4.47Å; V413-L415 HydrophobicContact CG1-CD2 4.45Å; L415-I421 HydrophobicContact CB-CD1 4.06Å; L415-I421 HydrophobicContact CB-CG1 3.8Å; L415-I421 HydrophobicContact CD1-CG1 4.24Å; L415-W425 HydrophobicContact CD1-CB 4.36Å; L415-W425 HydrophobicContact CD1-CD2 3.59Å; L415-W425 HydrophobicContact CD1-CE3 3.32Å; L415-W425 HydrophobicContact CD1-CG 4.08Å; L415-W425 HydrophobicContact CD1-CH2 4.41Å; L415-W425 HydrophobicContact CD1-CZ3 3.78Å; L415-A451 HydrophobicContact CD1-CB 3.99Å; L415-A451 HydrophobicContact CD2-CB 4.03Å; L415-A451 HydrophobicContact CG-CB 3.74Å
416	P	79.6	Confident	88.8	Confident	20 Å²	20	46.5 Å²	46.5	13%	0.13	22%	0.224	C	C	.	.	S	Bend	trans	-62.5	-179	176.1	-12.9	28.2	0	0	0	111.4	F395 T396 V397 V420 I421	F395-P416 HydrophobicContact CB-CG 3.92Å; F395-P416 HydrophobicContact CD1-CG 4.21Å; F395-P416 HydrophobicContact CG-CG 4.41Å; T396-P416 WeakPolarHBondContact O-CG 3.46Å; V397-P416 HydrophobicContact CG1-CG 4.28Å; P416-V420 HydrophobicContact CB-CB 4.11Å; P416-V420 HydrophobicContact CB-CG1 4.34Å; P416-V420 HydrophobicContact CB-CG2 3.98Å; P416-V420 HydrophobicContact CG-CB 4.31Å; P416-V420 HydrophobicContact CG-CG1 3.98Å; P416-V420 HydrophobicContact CG-CG2 4.33Å; P416-I421 WeakPolarHBondContact O-CD1 3.41Å; P416-I421 WeakPolarHBondContact O-CG1 3.29Å
417	N	77.8	Confident	88.5	Confident	103 Å²	103	46.2 Å²	46.2	55%	0.551	22%	0.223	S	C	*	.	S	Bend	trans	-42.2	160.1	-178.5	64.7	13.7	0	0	0	115.7	E419 V420 I421	N417-E419 PolarHBondContact O-N 2.94Å; N417-V420 PolarHBondContact O-N 3.16Å; N417-V420 WeakPolarHBondContact OD1-CG2 3.41Å; N417-I421 PolarHBondContact O-N 3.24Å
418	D	74.1	Confident	88.4	Confident	136 Å²	136	49.7 Å²	49.7	73%	0.727	24%	0.241	S	C	*	.	H	α-helix	trans	-53.6	-26.6	-172.5	-62.1	-21.8	0	0	0	114.6	I421 R422	D418-I421 PolarHBondContact O-N 3.42Å; D418-R422 WeakPolarHBondContact O-CB 3.36Å; D418-R422 PolarHBondContact O-N 3.45Å
419	E	75	Confident	88.2	Confident	130 Å²	130	50.2 Å²	50.2	61%	0.607	24%	0.244	S	C	*	.	H	α-helix	trans	-64.3	-44.2	176.3	-172	179.2	179.9	0	0	111.9	N417 R422 H423	N417-E419 PolarHBondContact O-N 2.94Å; E419-R422 PolarHBondContact O-N 3.36Å; E419-H423 WeakPolarHBondContact O-CB 3.34Å; E419-H423 PolarHBondContact O-CD2 3.16Å; E419-H423 PolarHBondContact O-N 3.22Å; E419-H423 VanDerWaalsContact O-N 3.11Å
420	V	74.3	Confident	87.9	Confident	10 Å²	10	54.6 Å²	54.6	6%	0.061	26%	0.264	C	S	.	.	H	α-helix	trans	-63.8	-46.8	176.8	173.7	0	0	0	0	110.3	W256 F395 P416 N417 R422 H423 L424	W256-V420 HydrophobicContact CH2-CG1 4.4Å; W256-V420 HydrophobicContact CZ2-CG1 3.53Å; F395-V420 HydrophobicContact CD1-CG1 4.25Å; F395-V420 HydrophobicContact CD1-CG2 3.6Å; F395-V420 HydrophobicContact CE1-CB 4.48Å; F395-V420 HydrophobicContact CE1-CG1 4.25Å; F395-V420 HydrophobicContact CE1-CG2 3.39Å; F395-V420 HydrophobicContact CZ-CG2 4.47Å; P416-V420 HydrophobicContact CB-CB 4.11Å; P416-V420 HydrophobicContact CB-CG1 4.34Å; P416-V420 HydrophobicContact CB-CG2 3.98Å; P416-V420 HydrophobicContact CG-CB 4.31Å; P416-V420 HydrophobicContact CG-CG1 3.98Å; P416-V420 HydrophobicContact CG-CG2 4.33Å; N417-V420 PolarHBondContact O-N 3.16Å; N417-V420 WeakPolarHBondContact OD1-CG2 3.41Å; V420-R422 PolarHBondContact O-N 3.15Å; V420-H423 PolarHBondContact O-N 3Å; V420-L424 HydrophobicContact CG1-CD1 4.3Å; V420-L424 WeakPolarHBondContact O-CB 3.39Å; V420-L424 PolarHBondContact O-N 3.27Å
421	I	76.2	Confident	87.6	Confident	26 Å²	26	57.7 Å²	57.7	13%	0.133	28%	0.278	C	S	.	.	H	α-helix	trans	-59.5	-49.4	178.2	-62.8	176.4	0	0	0	109.7	L415 P416 N417 D418 H423 W425 T447	L415-I421 HydrophobicContact CB-CD1 4.06Å; L415-I421 HydrophobicContact CB-CG1 3.8Å; L415-I421 HydrophobicContact CD1-CG1 4.24Å; P416-I421 WeakPolarHBondContact O-CD1 3.41Å; P416-I421 WeakPolarHBondContact O-CG1 3.29Å; N417-I421 PolarHBondContact O-N 3.24Å; D418-I421 PolarHBondContact O-N 3.42Å; I421-H423 VanDerWaalsContact C-N 3.28Å; I421-H423 PolarHBondContact O-N 2.8Å; I421-W425 HydrophobicContact CG2-CB 4.1Å; I421-W425 WeakPolarHBondContact O-CB 3.48Å; I421-W425 PolarHBondContact O-N 3.05Å; I421-T447 HydrophobicContact CG2-CG2 3.42Å; I421-T447 VanDerWaalsContact CG2-CG2 3.42Å
422	R	81.1	Confident	87.1	Confident	195 Å²	195	63.1 Å²	63.1	74%	0.736	31%	0.311	S	S	*	.	H	α-helix	trans	-58.7	-36.2	-178.5	-175.8	179.1	-176.1	-179	1.3	113.5	D418 E419 V420	D418-R422 WeakPolarHBondContact O-CB 3.36Å; D418-R422 PolarHBondContact O-N 3.45Å; E419-R422 PolarHBondContact O-N 3.36Å; V420-R422 PolarHBondContact O-N 3.15Å
423	H	83.8	Confident	86.7	Confident	67 Å²	67	62.2 Å²	62.2	31%	0.31	31%	0.309	S	S	.	.	H	α-helix	trans	-103.2	-25.1	-169.7	-69.3	-54.6	0	0	0	115	S385 L390 E419 V420 I421	S385-H423 PolarHBondContact OG-O 3.37Å; S385-H423 VanDerWaalsContact OG-O 3.04Å; L390-H423 HydrophobicContact CD1-CB 4.4Å; E419-H423 WeakPolarHBondContact O-CB 3.34Å; E419-H423 PolarHBondContact O-CD2 3.16Å; E419-H423 PolarHBondContact O-N 3.22Å; E419-H423 VanDerWaalsContact O-N 3.11Å; V420-H423 PolarHBondContact O-N 3Å; I421-H423 VanDerWaalsContact C-N 3.28Å; I421-H423 PolarHBondContact O-N 2.8Å
424	L	91.4	Very high	86.1	Confident	0 Å²	0	62.5 Å²	62.5	0%	0	31%	0.309	C	S	.	.	H	α-helix	trans	-118.2	-25	-176.1	-62.1	-175.8	0	0	0	113.9	W256 Y380 V386 L390 F395 V420 A426 F560	W256-L424 HydrophobicContact CH2-CB 4.16Å; W256-L424 HydrophobicContact CZ2-CB 3.89Å; W256-L424 HydrophobicContact CZ2-CD1 4.05Å; Y380-L424 WeakPolarHBondContact CE2-O 3.35Å; Y380-L424 PolarHBondContact OH-O 3.17Å; V386-L424 HydrophobicContact CG2-CD2 3.83Å; L390-L424 HydrophobicContact CB-CD1 3.94Å; L390-L424 HydrophobicContact CB-CD2 4.11Å; L390-L424 HydrophobicContact CB-CG 4.44Å; L390-L424 HydrophobicContact CD1-CD1 3.66Å; L390-L424 HydrophobicContact CD1-CD2 3.74Å; L390-L424 HydrophobicContact CD1-CG 3.59Å; L390-L424 HydrophobicContact CG-CD1 4.42Å; L390-L424 HydrophobicContact CG-CD2 4.49Å; F395-L424 HydrophobicContact CE2-CD1 4.29Å; F395-L424 HydrophobicContact CZ-CD1 4Å; V420-L424 HydrophobicContact CG1-CD1 4.3Å; V420-L424 WeakPolarHBondContact O-CB 3.39Å; V420-L424 PolarHBondContact O-N 3.27Å; L424-A426 PolarHBondContact O-N 2.81Å; L424-F560 HydrophobicContact CB-CE2 4.2Å; L424-F560 HydrophobicContact CB-CZ 4.29Å; L424-F560 HydrophobicContact CD1-CB 4.41Å; L424-F560 HydrophobicContact CD1-CD1 3.87Å; L424-F560 HydrophobicContact CD1-CD2 3.91Å; L424-F560 HydrophobicContact CD1-CE1 4.09Å; L424-F560 HydrophobicContact CD1-CE2 4.11Å; L424-F560 HydrophobicContact CD1-CG 3.79Å; L424-F560 HydrophobicContact CD1-CZ 4.2Å; L424-F560 HydrophobicContact CD2-CD1 4.18Å; L424-F560 HydrophobicContact CD2-CE1 3.63Å; L424-F560 HydrophobicContact CD2-CE2 4.41Å; L424-F560 HydrophobicContact CD2-CZ 3.76Å; L424-F560 HydrophobicContact CG-CE1 4.4Å; L424-F560 HydrophobicContact CG-CE2 4.49Å; L424-F560 HydrophobicContact CG-CZ 4.32Å
425	W	94.1	Very high	85.1	Confident	16 Å²	16	60.3 Å²	60.3	6%	0.061	31%	0.308	C	S	.	.			trans	-76.5	127.8	179	-168.8	-110.4	0	0	0	111.1	W256 I364 T365 A366 L415 I421 A427 D429 R450 A451	W256-W425 HydrophobicContact CH2-CE3 4.02Å; W256-W425 AromaticContact CZ3-CE3 3.66Å; W256-W425 HydrophobicContact CZ3-CE3 3.66Å; W256-W425 AromaticContact CZ3-CZ3 3.87Å; W256-W425 HydrophobicContact CZ3-CZ3 3.87Å; I364-W425 HydrophobicContact CG2-CZ3 4.16Å; T365-W425 WeakPolarHBondContact O-CH2 3.5Å; T365-W425 WeakPolarHBondContact O-CZ3 3.49Å; A366-W425 HydrophobicContact CB-CE3 4.25Å; L415-W425 HydrophobicContact CD1-CB 4.36Å; L415-W425 HydrophobicContact CD1-CD2 3.59Å; L415-W425 HydrophobicContact CD1-CE3 3.32Å; L415-W425 HydrophobicContact CD1-CG 4.08Å; L415-W425 HydrophobicContact CD1-CH2 4.41Å; L415-W425 HydrophobicContact CD1-CZ3 3.78Å; I421-W425 HydrophobicContact CG2-CB 4.1Å; I421-W425 WeakPolarHBondContact O-CB 3.48Å; I421-W425 PolarHBondContact O-N 3.05Å; W425-A427 HydrophobicContact CD2-CB 4.3Å; W425-A427 HydrophobicContact CH2-CB 3.77Å; W425-A427 HydrophobicContact CZ2-CB 3.35Å; W425-A427 HydrophobicContact CZ3-CB 4.4Å; W425-D429 VanDerWaalsContact NE1-CG 3.29Å; W425-D429 PolarHBondContact NE1-OD1 2.84Å; W425-D429 VanDerWaalsContact NE1-OD1 3.09Å; W425-D429 PolarHBondContact NE1-OD2 3.43Å; W425-R450 HydrophobicContact CZ2-CB 4.09Å; W425-A451 VanDerWaalsContact CH2-CA 3.46Å; W425-A451 HydrophobicContact CH2-CB 3.59Å; W425-A451 HydrophobicContact CZ2-CB 4.09Å; W425-A451 HydrophobicContact CZ3-CB 4.02Å
426	A	93.4	Very high	83.8	Confident	25 Å²	25	66.2 Å²	66.2	21%	0.207	34%	0.34	C	S	.	.			trans	-149.5	29.2	176.3	0	0	0	0	0	112.6	A366 K367 Y380 L424	A366-A426 CarbonylContact O-C 3.6Å; A366-A426 WeakPolarHBondContact O-CA 3.27Å; A366-A426 PolarHBondContact O-N 3.42Å; K367-A426 HydrophobicContact CB-CB 4.2Å; K367-A426 HydrophobicContact CD-CB 3.99Å; K367-A426 WeakPolarHBondContact CD-O 3.37Å; K367-A426 HydrophobicContact CG-CB 4.46Å; Y380-A426 HydrophobicContact CD2-CB 3.4Å; Y380-A426 VanDerWaalsContact CD2-CB 3.4Å; Y380-A426 HydrophobicContact CE2-CB 3.41Å; Y380-A426 VanDerWaalsContact CE2-CB 3.41Å; Y380-A426 HydrophobicContact CG-CB 4.46Å; L424-A426 PolarHBondContact O-N 2.81Å
427	A	89.3	Confident	82.9	Confident	27 Å²	27	73.1 Å²	73.1	22%	0.223	38%	0.375	C	S	.	.	S	Bend	trans	-75.2	155.7	168.3	0	0	0	0	0	109.6	A366 W425 D429	A366-A427 PolarHBondContact O-N 2.81Å; W425-A427 HydrophobicContact CD2-CB 4.3Å; W425-A427 HydrophobicContact CH2-CB 3.77Å; W425-A427 HydrophobicContact CZ2-CB 3.35Å; W425-A427 HydrophobicContact CZ3-CB 4.4Å; A427-D429 VanDerWaalsContact C-N 3.32Å; A427-D429 PolarHBondContact O-N 3.31Å
428	E	92	Very high	82.6	Confident	110 Å²	110	70.6 Å²	70.6	51%	0.514	36%	0.361	S	S	.	.			trans	-83	79.1	-177.9	-62.5	179.2	-160.4	0	0	109.5	Q430 E431 R450	E428-Q430 PolarHBondContact O-N 3.46Å; E428-E431 HydrophobicContact CB-CB 4.18Å; E428-E431 WeakPolarHBondContact O-CB 3.35Å; E428-E431 PolarHBondContact O-N 2.93Å; E428-R450 PolarHBondContact O-NH1 2.94Å
429	D	93.4	Very high	82.3	Confident	11 Å²	11	66.6 Å²	66.6	6%	0.059	35%	0.353	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.2	-23.3	178.7	-66.3	-31.7	0	0	0	112.4	W425 A427 R445 T447 G448 R450 L471	W425-D429 VanDerWaalsContact NE1-CG 3.29Å; W425-D429 PolarHBondContact NE1-OD1 2.84Å; W425-D429 VanDerWaalsContact NE1-OD1 3.09Å; W425-D429 PolarHBondContact NE1-OD2 3.43Å; A427-D429 VanDerWaalsContact C-N 3.32Å; A427-D429 PolarHBondContact O-N 3.31Å; D429-R445 WeakPolarHBondContact O-CD 3.41Å; D429-R445 PolarHBondContact O-NH1 3.03Å; D429-T447 WeakPolarHBondContact OD2-CA 3.33Å; D429-G448 PolarHBondContact OD2-N 2.95Å; D429-R450 WeakPolarHBondContact OD1-CB 3.43Å; D429-R450 PolarHBondContact OD1-N 3Å; D429-L471 WeakPolarHBondContact O-CD2 3.46Å
430	Q	93.1	Very high	82.3	Confident	92 Å²	92	61.6 Å²	61.6	43%	0.43	33%	0.33	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.9	15.2	-179.7	-51.4	-54.3	-43.2	0	0	112.9	E428 V432 N444 R445	E428-Q430 PolarHBondContact O-N 3.46Å; Q430-V432 PolarHBondContact O-N 3.25Å; Q430-N444 PolarHBondContact NE2-OD1 3.44Å; Q430-N444 PolarHBondContact OE1-OD1 3.31Å; Q430-R445 PolarHBondContact NE2-O 3.33Å
431	E	91.1	Very high	82.2	Confident	66 Å²	66	67.6 Å²	67.6	31%	0.308	36%	0.359	S	S	.	.			trans	-60	133	173.7	-170.3	172.2	173.1	0	0	109.8	E428 V433 R445 R450 L468 L471	E428-E431 HydrophobicContact CB-CB 4.18Å; E428-E431 WeakPolarHBondContact O-CB 3.35Å; E428-E431 PolarHBondContact O-N 2.93Å; E431-V433 PolarHBondContact O-N 2.83Å; E431-R445 PolarHBondContact O-NH1 2.94Å; E431-R445 PolarHBondContact O-NH2 3.43Å; E431-R450 IonicContact OE2-CZ 3.81Å; E431-R450 IonicContact OE2-NH1 3.34Å; E431-R450 PolarHBondContact OE2-NH1 3.3Å; E431-R450 IonicContact OE2-NH2 3.56Å; E431-R450 PolarHBondContact OE2-NH2 3.29Å; E431-L468 VanDerWaalsContact CD-CD2 3.49Å; E431-L468 HydrophobicContact CG-CD2 4.24Å; E431-L468 WeakPolarHBondContact OE2-CD2 3.25Å; E431-L471 HydrophobicContact CB-CD1 4.05Å
432	V	88.9	Confident	82.1	Confident	115 Å²	115	72.3 Å²	72.3	70%	0.697	39%	0.391	S	S	*	.			trans	-76.8	118.1	-178.5	177.5	0	0	0	0	108.8	Q430 F434	Q430-V432 PolarHBondContact O-N 3.25Å; V432-F434 WeakPolarHBondContact CG1-O 3.28Å
433	V	89	Confident	82.1	Confident	12 Å²	12	64.7 Å²	64.7	7%	0.073	37%	0.366	C	S	.	.			trans	-110	-10.6	-176.4	-61.5	0	0	0	0	114.1	E431 L468 L471 R472 D475 V502	E431-V433 PolarHBondContact O-N 2.83Å; V433-L468 HydrophobicContact CG1-CB 4.48Å; V433-L468 HydrophobicContact CG1-CD2 4.01Å; V433-L471 HydrophobicContact CG1-CB 3.76Å; V433-L471 HydrophobicContact CG1-CD1 3.92Å; V433-L471 HydrophobicContact CG1-CG 4.5Å; V433-L471 HydrophobicContact CG2-CB 4.23Å; V433-R472 HydrophobicContact CB-CG 3.64Å; V433-R472 HydrophobicContact CG1-CG 4.46Å; V433-R472 HydrophobicContact CG2-CB 4.34Å; V433-R472 HydrophobicContact CG2-CG 3.44Å; V433-R472 VanDerWaalsContact CG2-CG 3.44Å; V433-D475 WeakPolarHBondContact CG2-OD2 3.49Å; V433-V502 VanDerWaalsContact O-CG2 3.31Å; V433-V502 WeakPolarHBondContact O-CG2 2.91Å
434	F	84.9	Confident	82.4	Confident	17 Å²	17	68.4 Å²	68.4	8%	0.075	39%	0.388	C	S	.	.	S	Bend	trans	-120.9	134.5	170.2	-65.6	-70.8	0	0	0	109.3	V432 I438 I440 R472 D475 M476 I499 P500 V502	V432-F434 WeakPolarHBondContact CG1-O 3.28Å; F434-I438 HydrophobicContact CB-CD1 4.44Å; F434-I438 HydrophobicContact CD1-CD1 4.4Å; F434-I440 HydrophobicContact CB-CD1 4.45Å; F434-I440 HydrophobicContact CD1-CD1 3.7Å; F434-I440 HydrophobicContact CD2-CD1 3.69Å; F434-I440 HydrophobicContact CD2-CG2 4.15Å; F434-I440 HydrophobicContact CE1-CD1 3.75Å; F434-I440 HydrophobicContact CE2-CD1 3.74Å; F434-I440 HydrophobicContact CE2-CG2 4.45Å; F434-I440 HydrophobicContact CG-CD1 3.67Å; F434-I440 HydrophobicContact CZ-CD1 3.77Å; F434-R472 HydrophobicContact CE1-CG 4.25Å; F434-R472 HydrophobicContact CE2-CB 4.03Å; F434-R472 HydrophobicContact CE2-CG 3.94Å; F434-R472 HydrophobicContact CZ-CB 3.71Å; F434-R472 HydrophobicContact CZ-CG 3.68Å; F434-D475 HydrophobicContact CD2-CB 4.33Å; F434-D475 WeakPolarHBondContact CD2-OD2 3.46Å; F434-D475 HydrophobicContact CE2-CB 3.87Å; F434-M476 HydrophobicContact CE2-CE 3.76Å; F434-M476 HydrophobicContact CZ-CE 3.9Å; F434-I499 HydrophobicContact CE1-CG2 3.41Å; F434-I499 VanDerWaalsContact CE1-CG2 3.41Å; F434-I499 HydrophobicContact CZ-CG2 3.33Å; F434-P500 HydrophobicContact CE1-CG 4.46Å; F434-V502 HydrophobicContact CD1-CG2 4.24Å; F434-V502 HydrophobicContact CE1-CG2 4.43Å
435	P	72.1	Confident	82.4	Confident	79 Å²	79	69.1 Å²	69.1	51%	0.513	39%	0.391	S	S	.	.			trans	-64.6	156	170.2	27.8	-35.6	0	0	0	111.1	I438	P435-I438 VanDerWaalsContact CD-CD1 3.46Å; P435-I438 HydrophobicContact CG-CD1 3.41Å; P435-I438 VanDerWaalsContact CG-CD1 3.41Å; P435-I438 HydrophobicContact CG-CG1 4.22Å
436	D	65	Low	82.4	Confident	134 Å²	134	71.9 Å²	71.9	72%	0.717	41%	0.411	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.6	144.1	174.3	-62.7	-38.6	0	0	0	110.5
437	N	61.3	Low	82.3	Confident	164 Å²	164	75.1 Å²	75.1	88%	0.877	43%	0.428	S	S	*	.	T	Hydrogen-bonded Turn	trans	85.4	13.4	176.2	-47.8	-47	0	0	0	118.9	G439	N437-G439 VanDerWaalsContact C-N 3.33Å
438	I	70.8	Confident	82.5	Confident	50 Å²	50	74.1 Å²	74.1	26%	0.256	42%	0.421	S	S	.	.	S	Bend	trans	-90.8	11.8	174.3	-51.5	167.4	0	0	0	113.7	F434 P435 I440 P500	F434-I438 HydrophobicContact CB-CD1 4.44Å; F434-I438 HydrophobicContact CD1-CD1 4.4Å; P435-I438 VanDerWaalsContact CD-CD1 3.46Å; P435-I438 HydrophobicContact CG-CD1 3.41Å; P435-I438 VanDerWaalsContact CG-CD1 3.41Å; P435-I438 HydrophobicContact CG-CG1 4.22Å; I438-I440 HydrophobicContact CG2-CD1 4.41Å; I438-I440 PolarHBondContact O-N 3.38Å; I438-P500 HydrophobicContact CD1-CB 4.3Å; I438-P500 HydrophobicContact CG2-CB 3.69Å; I438-P500 HydrophobicContact CG2-CG 3.24Å
439	G	68.7	Low	82.7	Confident	53 Å²	53	69.9 Å²	69.9	55%	0.546	40%	0.403	S	S	.	.	S	Bend	trans	67.1	22.7	177.6	0	0	0	0	0	114.3	N437 R481	N437-G439 VanDerWaalsContact C-N 3.33Å; G439-R481 PolarHBondContact O-NH2 3.38Å
440	I	75	Confident	82.8	Confident	25 Å²	25	70.8 Å²	70.8	13%	0.128	41%	0.406	C	S	.	.			trans	-108.5	119.2	169.2	-57.4	166	0	0	0	105.3	F434 I438 D475 M476 P500	F434-I440 HydrophobicContact CB-CD1 4.45Å; F434-I440 HydrophobicContact CD1-CD1 3.7Å; F434-I440 HydrophobicContact CD2-CD1 3.69Å; F434-I440 HydrophobicContact CD2-CG2 4.15Å; F434-I440 HydrophobicContact CE1-CD1 3.75Å; F434-I440 HydrophobicContact CE2-CD1 3.74Å; F434-I440 HydrophobicContact CE2-CG2 4.45Å; F434-I440 HydrophobicContact CG-CD1 3.67Å; F434-I440 HydrophobicContact CZ-CD1 3.77Å; I438-I440 HydrophobicContact CG2-CD1 4.41Å; I438-I440 PolarHBondContact O-N 3.38Å; I440-D475 HydrophobicContact CG2-CB 4.26Å; I440-M476 HydrophobicContact CB-CE 4.24Å; I440-M476 HydrophobicContact CD1-CE 3.22Å; I440-M476 HydrophobicContact CD1-SD 4.37Å; I440-M476 HydrophobicContact CG1-CE 3.59Å; I440-M476 HydrophobicContact CG2-CE 3.63Å; I440-P500 HydrophobicContact CD1-CG 4.13Å
441	M	72	Confident	83	Confident	136 Å²	136	66.4 Å²	66.4	67%	0.67	39%	0.385	S	S	*	.			trans	-73.9	139.6	-177.3	-61.7	-162.4	75.8	0	0	109.6	V443 N479	M441-V443 PolarHBondContact O-N 2.87Å; M441-V443 VanDerWaalsContact O-N 3.15Å; M441-N479 PolarHBondContact N-OD1 3.48Å; M441-N479 PolarHBondContact O-ND2 3.09Å
442	P	74.5	Confident	83.3	Confident	124 Å²	124	64.6 Å²	64.6	81%	0.805	38%	0.376	S	S	*	.			trans	-55.7	120.8	167.3	-22.9	32.9	0	0	0	109.4
443	V	80.5	Confident	83.7	Confident	36 Å²	36	59.1 Å²	59.1	22%	0.218	34%	0.343	C	S	.	.			trans	-117.2	138.8	-179.7	-74.5	0	0	0	0	109.4	M441 R445 D475 L478	M441-V443 PolarHBondContact O-N 2.87Å; M441-V443 VanDerWaalsContact O-N 3.15Å; V443-R445 HydrophobicContact CG2-CG 4.4Å; V443-R445 PolarHBondContact O-N 3.18Å; V443-D475 WeakPolarHBondContact CG2-OD1 3.34Å; V443-L478 HydrophobicContact CB-CB 4.17Å; V443-L478 HydrophobicContact CB-CD1 4.05Å; V443-L478 HydrophobicContact CG1-CB 4.11Å; V443-L478 HydrophobicContact CG2-CB 3.95Å; V443-L478 HydrophobicContact CG2-CD1 3.7Å; V443-L478 HydrophobicContact CG2-CG 4.49Å
444	N	89.5	Confident	84.2	Confident	144 Å²	144	59.4 Å²	59.4	77%	0.77	35%	0.345	S	S	*	.			trans	-75.7	106.1	171.7	-171.7	9.5	0	0	0	108.3	Q430	Q430-N444 PolarHBondContact NE2-OD1 3.44Å; Q430-N444 PolarHBondContact OE1-OD1 3.31Å
445	R	93	Very high	84.8	Confident	16 Å²	16	58.6 Å²	58.6	6%	0.06	34%	0.342	C	S	.	.	P	Polyproline II helix	trans	-76	146.4	-175.7	-57.6	-173.7	-164.4	103.3	5.8	111.3	D429 Q430 E431 V443 V474 D475 L478	D429-R445 WeakPolarHBondContact O-CD 3.41Å; D429-R445 PolarHBondContact O-NH1 3.03Å; Q430-R445 PolarHBondContact NE2-O 3.33Å; E431-R445 PolarHBondContact O-NH1 2.94Å; E431-R445 PolarHBondContact O-NH2 3.43Å; V443-R445 HydrophobicContact CG2-CG 4.4Å; V443-R445 PolarHBondContact O-N 3.18Å; R445-V474 HydrophobicContact CB-CG1 4.32Å; R445-V474 HydrophobicContact CG-CG1 4.07Å; R445-D475 IonicContact CZ-OD1 3.01Å; R445-D475 IonicContact CZ-OD2 3.37Å; R445-D475 IonicContact NE-OD1 3.08Å; R445-D475 PolarHBondContact NE-OD1 3.44Å; R445-D475 IonicContact NE-OD2 2.75Å; R445-D475 IonicContact NH2-OD1 3.55Å; R445-D475 PolarHBondContact NH2-OD1 3.3Å; R445-D475 IonicContact NH2-OD2 3.25Å; R445-D475 PolarHBondContact NH2-OD2 3.27Å; R445-L478 HydrophobicContact CB-CD1 4.42Å; R445-L478 HydrophobicContact CG-CD1 4.07Å
446	P	92.2	Very high	86	Confident	74 Å²	74	54.9 Å²	54.9	48%	0.481	32%	0.317	S	S	.	.	P	Polyproline II helix	trans	-64.9	143.6	175.5	24.9	-30.4	0	0	0	111.1	G448 C449	P446-G448 PolarHBondContact O-N 2.86Å; P446-C449 HydrophobicContact CG-CB 4.1Å; P446-C449 VanDerWaalsContact O-CB 3.23Å; P446-C449 WeakPolarHBondContact O-CB 3.12Å; P446-C449 PolarHBondContact O-N 3.28Å; P446-C449 PolarHBondContact O-SG 2.94Å
447	T	92.6	Very high	87.6	Confident	92 Å²	92	48.7 Å²	48.7	56%	0.564	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.3	136.7	178.3	-49.3	0	0	0	0	111.1	I421 D429 C449	I421-T447 HydrophobicContact CG2-CG2 3.42Å; I421-T447 VanDerWaalsContact CG2-CG2 3.42Å; D429-T447 WeakPolarHBondContact OD2-CA 3.33Å; T447-C449 VanDerWaalsContact C-N 3.35Å
448	G	93.9	Very high	89.2	Confident	7 Å²	7	41.3 Å²	41.3	7%	0.072	25%	0.246	C	C	.	.	T	Hydrogen-bonded Turn	trans	87.6	-3.1	-177.7	0	0	0	0	0	114.3	D429 P446 R450 A451	D429-G448 PolarHBondContact OD2-N 2.95Å; P446-G448 PolarHBondContact O-N 2.86Å; G448-R450 PolarHBondContact O-N 3.27Å; G448-R450 VanDerWaalsContact O-N 3.14Å; G448-A451 VanDerWaalsContact O-CB 3.22Å; G448-A451 WeakPolarHBondContact O-CB 3.43Å; G448-A451 PolarHBondContact O-N 2.85Å
449	C	94.8	Very high	90.3	Very high	21 Å²	21	43.8 Å²	43.8	14%	0.142	26%	0.264	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.4	-19.8	-176.7	71	0	0	0	0	113.9	P446 T447 A451 L470 V474	P446-C449 HydrophobicContact CG-CB 4.1Å; P446-C449 VanDerWaalsContact O-CB 3.23Å; P446-C449 WeakPolarHBondContact O-CB 3.12Å; P446-C449 PolarHBondContact O-N 3.28Å; P446-C449 PolarHBondContact O-SG 2.94Å; T447-C449 VanDerWaalsContact C-N 3.35Å; C449-A451 VanDerWaalsContact C-N 3.32Å; C449-L470 VanDerWaalsContact O-CD2 3.27Å; C449-L470 WeakPolarHBondContact O-CD2 3.05Å; C449-L470 WeakPolarHBondContact O-CG 3.05Å; C449-V474 HydrophobicContact CB-CG1 4.25Å; C449-V474 HydrophobicContact CB-CG2 4.13Å
450	R	96.4	Very high	91.5	Very high	30 Å²	30	45.1 Å²	45.1	11%	0.113	28%	0.277	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.6	-1.3	175.1	-163.8	177.7	-179.1	170.6	1.8	113	W425 E428 D429 E431 G448 H452 L468 L471	W425-R450 HydrophobicContact CZ2-CB 4.09Å; E428-R450 PolarHBondContact O-NH1 2.94Å; D429-R450 WeakPolarHBondContact OD1-CB 3.43Å; D429-R450 PolarHBondContact OD1-N 3Å; E431-R450 IonicContact OE2-CZ 3.81Å; E431-R450 IonicContact OE2-NH1 3.34Å; E431-R450 PolarHBondContact OE2-NH1 3.3Å; E431-R450 IonicContact OE2-NH2 3.56Å; E431-R450 PolarHBondContact OE2-NH2 3.29Å; G448-R450 PolarHBondContact O-N 3.27Å; G448-R450 VanDerWaalsContact O-N 3.14Å; R450-H452 PolarHBondContact O-N 3Å; R450-H452 PolarHBondContact O-ND1 3.45Å; R450-L468 VanDerWaalsContact NH2-CD2 3.32Å; R450-L471 HydrophobicContact CB-CD2 3.9Å; R450-L471 HydrophobicContact CB-CG 4.39Å; R450-L471 HydrophobicContact CG-CD1 4.45Å; R450-L471 HydrophobicContact CG-CD2 4.17Å; R450-L471 HydrophobicContact CG-CG 4.09Å
451	A	97.1	Very high	92.4	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	28%	0.282	C	S	.	.			trans	-65.9	120.5	-179.4	0	0	0	0	0	111.6	I364 V413 L415 W425 G448 C449	I364-A451 HydrophobicContact CG2-CB 4.08Å; V413-A451 HydrophobicContact CB-CB 4.07Å; V413-A451 PolarHBondContact N-O 3.47Å; V413-A451 WeakPolarHBondContact O-CB 3.44Å; L415-A451 HydrophobicContact CD1-CB 3.99Å; L415-A451 HydrophobicContact CD2-CB 4.03Å; L415-A451 HydrophobicContact CG-CB 3.74Å; W425-A451 VanDerWaalsContact CH2-CA 3.46Å; W425-A451 HydrophobicContact CH2-CB 3.59Å; W425-A451 HydrophobicContact CZ2-CB 4.09Å; W425-A451 HydrophobicContact CZ3-CB 4.02Å; G448-A451 VanDerWaalsContact O-CB 3.22Å; G448-A451 WeakPolarHBondContact O-CB 3.43Å; G448-A451 PolarHBondContact O-N 2.85Å; C449-A451 VanDerWaalsContact C-N 3.32Å
452	H	98	Very high	93.5	Very high	27 Å²	27	41.7 Å²	41.7	13%	0.125	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.8	165.9	-176.6	64.5	-79	0	0	0	111.5	I364 A411 R450 T454 T466 G467 L470	I364-H452 WeakPolarHBondContact CA-O 3.35Å; A411-H452 CarbonylContact O-C 3.59Å; A411-H452 WeakPolarHBondContact O-CA 3.35Å; A411-H452 WeakPolarHBondContact O-CB 3.47Å; R450-H452 PolarHBondContact O-N 3Å; R450-H452 PolarHBondContact O-ND1 3.45Å; H452-T454 PolarHBondContact CD2-OG1 3.07Å; H452-T454 PolarHBondContact NE2-OG1 3.26Å; H452-T466 VanDerWaalsContact CD2-CG2 3.5Å; H452-T466 WeakPolarHBondContact CD2-CG2 3.38Å; H452-G467 WeakPolarHBondContact CE1-CA 3.4Å; H452-G467 PolarHBondContact CE1-N 3.29Å; H452-L470 HydrophobicContact CB-CD2 4Å
453	V	97.6	Very high	94.5	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	120.3	162.7	-179.3	0	0	0	0	107.9	W258 L301 P362 I364 G410 A411 V413	W258-V453 HydrophobicContact CH2-CG2 3.68Å; W258-V453 HydrophobicContact CZ3-CG2 3.54Å; L301-V453 HydrophobicContact CD2-CG1 4.43Å; P362-V453 HydrophobicContact CB-CG1 3.86Å; I364-V453 HydrophobicContact CG1-CG2 3.72Å; G410-V453 CarbonylContact C-O 3.39Å; G410-V453 WeakPolarHBondContact CA-O 3.44Å; A411-V453 HydrophobicContact CB-CB 4.31Å; A411-V453 PolarHBondContact N-O 3.07Å; A411-V453 PolarHBondContact O-N 3.23Å; V413-V453 HydrophobicContact CG2-CG2 3.96Å
454	T	98.1	Very high	95.1	Very high	19 Å²	19	39.3 Å²	39.3	12%	0.117	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76	123.5	174.6	-54.7	0	0	0	0	109.9	A344 T345 H452 L457 P463 T466	A344-T454 HydrophobicContact CB-CG2 3.95Å; T345-T454 WeakPolarHBondContact CG2-O 3.09Å; H452-T454 PolarHBondContact CD2-OG1 3.07Å; H452-T454 PolarHBondContact NE2-OG1 3.26Å; T454-L457 HydrophobicContact CG2-CD1 4.12Å; T454-L457 HydrophobicContact CG2-CD2 3.7Å; T454-L457 HydrophobicContact CG2-CG 3.86Å; T454-P463 HydrophobicContact CG2-CB 4.36Å; T454-P463 PolarHBondContact OG1-O 2.89Å; T454-T466 VanDerWaalsContact CG2-OG1 3.31Å; T454-T466 WeakPolarHBondContact CG2-OG1 3.35Å; T454-T466 WeakPolarHBondContact OG1-CB 3.33Å; T454-T466 PolarHBondContact OG1-OG1 3.3Å
455	M	97.4	Very high	95.5	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	-44.2	-175.5	-72	175.1	163.9	0	0	112.2	L301 W304 A344 F349 L402 I409 A411	L301-M455 HydrophobicContact CD1-CE 3.78Å; L301-M455 HydrophobicContact CD2-CE 4.4Å; L301-M455 HydrophobicContact CG-CE 3.77Å; W304-M455 HydrophobicContact CE3-CE 4.48Å; W304-M455 HydrophobicContact CZ3-CE 4.22Å; A344-M455 WeakPolarHBondContact CB-O 3.24Å; A344-M455 PolarHBondContact N-O 2.89Å; F349-M455 HydrophobicContact CB-CB 4.47Å; F349-M455 WeakPolarHBondContact CB-O 3.45Å; F349-M455 HydrophobicContact CD1-CB 3.87Å; F349-M455 HydrophobicContact CD2-CB 3.74Å; F349-M455 HydrophobicContact CD2-CG 3.95Å; F349-M455 HydrophobicContact CD2-SD 3.99Å; F349-M455 HydrophobicContact CE1-CB 3.91Å; F349-M455 HydrophobicContact CE2-CB 3.81Å; F349-M455 HydrophobicContact CE2-CE 4.23Å; F349-M455 HydrophobicContact CE2-CG 3.87Å; F349-M455 HydrophobicContact CE2-SD 3.3Å; F349-M455 WeakPolarHBondContact CE2-SD 3.21Å; F349-M455 HydrophobicContact CG-CB 3.76Å; F349-M455 HydrophobicContact CG-CG 4.47Å; F349-M455 HydrophobicContact CZ-CB 3.88Å; F349-M455 HydrophobicContact CZ-CG 4.29Å; F349-M455 HydrophobicContact CZ-SD 3.66Å; L402-M455 HydrophobicContact CD1-SD 3.71Å; I409-M455 HydrophobicContact CG2-CB 4.42Å; I409-M455 PolarHBondContact O-N 3.36Å; A411-M455 HydrophobicContact CB-CE 3.69Å; A411-M455 HydrophobicContact CB-SD 4.19Å
456	A	98	Very high	95.7	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.9	156.7	176.6	0	0	0	0	0	111.9	W341 E342 F349 I409	W341-A456 HydrophobicContact CB-CB 3.97Å; E342-A456 CarbonylContact O-C 3.44Å; E342-A456 VanDerWaalsContact O-CA 3.25Å; E342-A456 WeakPolarHBondContact O-CA 3.4Å; E342-A456 WeakPolarHBondContact O-CB 3.37Å; F349-A456 HydrophobicContact CD1-CB 4.01Å; F349-A456 HydrophobicContact CE1-CB 4.49Å; I409-A456 HydrophobicContact CB-CB 4.09Å; I409-A456 HydrophobicContact CD1-CB 4.12Å; I409-A456 HydrophobicContact CG1-CB 4.37Å; I409-A456 PolarHBondContact N-O 3.12Å; I409-A456 PolarHBondContact O-N 3.05Å
457	L	97.8	Very high	95.9	Very high	4 Å²	4	29.2 Å²	29.2	2%	0.021	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	139.1	-173.7	-65.7	168.2	0	0	0	109.9	W341 E342 A344 R407 T408 T454 V461 P463	W341-L457 CarbonylContact C-O 3.56Å; W341-L457 WeakPolarHBondContact CA-O 3.42Å; E342-L457 PolarHBondContact N-O 2.89Å; E342-L457 PolarHBondContact O-N 2.87Å; A344-L457 HydrophobicContact CB-CD1 3.83Å; A344-L457 HydrophobicContact CB-CG 3.95Å; R407-L457 CarbonylContact O-C 3.57Å; R407-L457 WeakPolarHBondContact O-CA 3.24Å; T408-L457 HydrophobicContact CG2-CD2 3.67Å; T454-L457 HydrophobicContact CG2-CD1 4.12Å; T454-L457 HydrophobicContact CG2-CD2 3.7Å; T454-L457 HydrophobicContact CG2-CG 3.86Å; L457-V461 HydrophobicContact CD2-CG1 4.19Å; L457-P463 HydrophobicContact CD1-CB 4.1Å; L457-P463 HydrophobicContact CD1-CG 3.71Å
458	A	96	Very high	96	Very high	9 Å²	9	26.2 Å²	26.2	7%	0.074	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.2	154.6	167	0	0	0	0	0	110.2	R407 G460 V461	R407-A458 PolarHBondContact O-N 3.27Å; A458-G460 PolarHBondContact O-N 3.38Å; A458-V461 HydrophobicContact CB-CG2 3.88Å; A458-V461 WeakPolarHBondContact O-CB 3.28Å; A458-V461 WeakPolarHBondContact O-CG2 3.17Å; A458-V461 PolarHBondContact O-N 2.7Å
459	T	94	Very high	96.1	Very high	103 Å²	103	25.9 Å²	25.9	63%	0.632	18%	0.177	S	C	*	.	T	Hydrogen-bonded Turn	trans	-53.2	124.9	-175.6	-60.8	0	0	0	0	111.5	V461	T459-V461 VanDerWaalsContact C-N 3.29Å; T459-V461 PolarHBondContact O-N 3.11Å
460	G	92.2	Very high	96.2	Very high	80 Å²	80	25.1 Å²	25.1	83%	0.825	17%	0.171	S	C	*	.	T	Hydrogen-bonded Turn	trans	80.2	-2.1	177.7	0	0	0	0	0	115.7	A458	A458-G460 PolarHBondContact O-N 3.38Å
461	V	94.6	Very high	96.2	Very high	39 Å²	39	23.7 Å²	23.7	24%	0.236	17%	0.166	C	C	.	.			trans	-75.5	137.6	175.6	177.5	0	0	0	0	110.7	R407 T408 L457 A458 T459 E465	R407-V461 HydrophobicContact CB-CG1 4.14Å; R407-V461 HydrophobicContact CB-CG2 4.2Å; R407-V461 HydrophobicContact CG-CG2 4.25Å; T408-V461 HydrophobicContact CG2-CG1 3.95Å; L457-V461 HydrophobicContact CD2-CG1 4.19Å; A458-V461 HydrophobicContact CB-CG2 3.88Å; A458-V461 WeakPolarHBondContact O-CB 3.28Å; A458-V461 WeakPolarHBondContact O-CG2 3.17Å; A458-V461 PolarHBondContact O-N 2.7Å; T459-V461 VanDerWaalsContact C-N 3.29Å; T459-V461 PolarHBondContact O-N 3.11Å; V461-E465 HydrophobicContact CG1-CB 3.73Å; V461-E465 HydrophobicContact CG1-CG 3.99Å
462	S	94.6	Very high	96.1	Very high	51 Å²	51	24 Å²	24	36%	0.357	17%	0.167	S	C	.	.			trans	-73.8	138.9	175	176.4	0	0	0	0	111.4	A464 E465	S462-A464 PolarHBondContact O-N 2.86Å; S462-A464 PolarHBondContact OG-N 2.97Å; S462-E465 WeakPolarHBondContact O-CB 3.42Å; S462-E465 PolarHBondContact O-N 3.29Å
463	P	95.6	Very high	95.9	Very high	55 Å²	55	22.7 Å²	22.7	36%	0.357	16%	0.161	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.5	-27.7	174.3	-24.4	30.5	0	0	0	114.8	T454 L457 E465 T466	T454-P463 HydrophobicContact CG2-CB 4.36Å; T454-P463 PolarHBondContact OG1-O 2.89Å; L457-P463 HydrophobicContact CD1-CB 4.1Å; L457-P463 HydrophobicContact CD1-CG 3.71Å; P463-E465 PolarHBondContact O-N 3.38Å; P463-T466 WeakPolarHBondContact O-CB 3.34Å; P463-T466 PolarHBondContact O-N 2.82Å; P463-T466 PolarHBondContact O-OG1 2.93Å
464	A	94.9	Very high	95.8	Very high	55 Å²	55	23.1 Å²	23.1	46%	0.455	16%	0.163	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65	-23.6	179.1	0	0	0	0	0	113.4	S462 T466 G467 L468	S462-A464 PolarHBondContact O-N 2.86Å; S462-A464 PolarHBondContact OG-N 2.97Å; A464-T466 PolarHBondContact O-N 2.93Å; A464-G467 PolarHBondContact O-N 2.65Å; A464-L468 PolarHBondContact O-N 2.72Å
465	E	95.9	Very high	95.6	Very high	16 Å²	16	22.6 Å²	22.6	8%	0.075	16%	0.16	C	C	.	.	H	α-helix	trans	-59.7	-33.4	177.7	-172	66.4	-166.3	0	0	111.4	R407 T408 V461 S462 P463 G467 L468 D469	R407-E465 HydrophobicContact CB-CG 4.25Å; R407-E465 IonicContact CZ-OE1 2.76Å; R407-E465 IonicContact NE-OE1 3.39Å; R407-E465 PolarHBondContact NE-OE1 3.48Å; T408-E465 HydrophobicContact CG2-CB 3.82Å; T408-E465 HydrophobicContact CG2-CG 3.88Å; V461-E465 HydrophobicContact CG1-CB 3.73Å; V461-E465 HydrophobicContact CG1-CG 3.99Å; S462-E465 WeakPolarHBondContact O-CB 3.42Å; S462-E465 PolarHBondContact O-N 3.29Å; P463-E465 PolarHBondContact O-N 3.38Å; E465-G467 PolarHBondContact O-N 3.01Å; E465-L468 CarbonylContact O-C 3.39Å; E465-L468 WeakPolarHBondContact O-CA 3.39Å; E465-L468 WeakPolarHBondContact O-CB 3.48Å; E465-L468 PolarHBondContact O-N 3.34Å; E465-D469 PolarHBondContact O-N 3.45Å
466	T	97.6	Very high	95.4	Very high	5 Å²	5	23 Å²	23	3%	0.031	16%	0.162	C	C	.	.	H	α-helix	trans	-58.1	-38.9	178.3	-43	0	0	0	0	111.7	H452 T454 P463 A464 L470	H452-T466 VanDerWaalsContact CD2-CG2 3.5Å; H452-T466 WeakPolarHBondContact CD2-CG2 3.38Å; T454-T466 VanDerWaalsContact CG2-OG1 3.31Å; T454-T466 WeakPolarHBondContact CG2-OG1 3.35Å; T454-T466 WeakPolarHBondContact OG1-CB 3.33Å; T454-T466 PolarHBondContact OG1-OG1 3.3Å; P463-T466 WeakPolarHBondContact O-CB 3.34Å; P463-T466 PolarHBondContact O-N 2.82Å; P463-T466 PolarHBondContact O-OG1 2.93Å; A464-T466 PolarHBondContact O-N 2.93Å; T466-L470 WeakPolarHBondContact O-CB 3.44Å; T466-L470 PolarHBondContact O-N 3.31Å; T466-L470 VanDerWaalsContact O-N 3.07Å
467	G	97.2	Very high	95.2	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-68.6	-36.4	174.7	0	0	0	0	0	112.6	H452 A464 E465 L470 L471	H452-G467 WeakPolarHBondContact CE1-CA 3.4Å; H452-G467 PolarHBondContact CE1-N 3.29Å; A464-G467 PolarHBondContact O-N 2.65Å; E465-G467 PolarHBondContact O-N 3.01Å; G467-L470 PolarHBondContact O-N 3.23Å; G467-L471 WeakPolarHBondContact O-CG 3.41Å; G467-L471 PolarHBondContact O-N 2.79Å; G467-L471 VanDerWaalsContact O-N 3.09Å
468	L	95.6	Very high	95	Very high	30 Å²	30	28.8 Å²	28.8	16%	0.157	19%	0.191	C	C	.	.	H	α-helix	trans	-69.9	-42.4	177.1	-61.9	175.2	0	0	0	111.4	E431 V433 R450 A464 E465 L470 L471 R472	E431-L468 VanDerWaalsContact CD-CD2 3.49Å; E431-L468 HydrophobicContact CG-CD2 4.24Å; E431-L468 WeakPolarHBondContact OE2-CD2 3.25Å; V433-L468 HydrophobicContact CG1-CB 4.48Å; V433-L468 HydrophobicContact CG1-CD2 4.01Å; R450-L468 VanDerWaalsContact NH2-CD2 3.32Å; A464-L468 PolarHBondContact O-N 2.72Å; E465-L468 CarbonylContact O-C 3.39Å; E465-L468 WeakPolarHBondContact O-CA 3.39Å; E465-L468 WeakPolarHBondContact O-CB 3.48Å; E465-L468 PolarHBondContact O-N 3.34Å; L468-L470 VanDerWaalsContact C-N 3.29Å; L468-L470 PolarHBondContact O-N 3.43Å; L468-L471 WeakPolarHBondContact O-CB 3.19Å; L468-L471 PolarHBondContact O-N 3.12Å; L468-L471 VanDerWaalsContact O-N 3.16Å; L468-R472 WeakPolarHBondContact O-CG 3.31Å; L468-R472 PolarHBondContact O-N 3.3Å
469	D	95.9	Very high	94.8	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-57.1	-44	173.1	-78.5	-14.1	0	0	0	111.1	T405 R407 T408 E465 L471 R472 V473	T405-D469 WeakPolarHBondContact CB-OD2 3.35Å; T405-D469 HydrophobicContact CG2-CB 3.81Å; T405-D469 VanDerWaalsContact CG2-OD2 3.23Å; T405-D469 WeakPolarHBondContact CG2-OD2 3.44Å; T405-D469 PolarHBondContact OG1-OD2 2.88Å; R407-D469 IonicContact CZ-OD1 2.85Å; R407-D469 IonicContact NE-OD1 3.71Å; R407-D469 IonicContact NH2-OD1 3Å; R407-D469 PolarHBondContact NH2-OD1 3.3Å; R407-D469 IonicContact NH2-OD2 3.92Å; T408-D469 PolarHBondContact OG1-OD2 3.24Å; E465-D469 PolarHBondContact O-N 3.45Å; D469-L471 PolarHBondContact O-N 3.13Å; D469-R472 WeakPolarHBondContact O-CB 3.31Å; D469-R472 PolarHBondContact O-N 3.44Å; D469-R472 IonicContact OD1-NH1 3.76Å; D469-V473 PolarHBondContact O-N 3.38Å; D469-V473 VanDerWaalsContact O-N 3.09Å
470	L	96.8	Very high	94.6	Very high	5 Å²	5	32 Å²	32	3%	0.026	20%	0.203	C	C	.	.	H	α-helix	trans	-64	-40.4	175.9	-178.5	56.3	0	0	0	112.5	V403 R412 C449 H452 T466 G467 L468 R472 V473 V474	V403-L470 HydrophobicContact CG2-CD1 4.13Å; R412-L470 HydrophobicContact CG-CD1 3.94Å; C449-L470 VanDerWaalsContact O-CD2 3.27Å; C449-L470 WeakPolarHBondContact O-CD2 3.05Å; C449-L470 WeakPolarHBondContact O-CG 3.05Å; H452-L470 HydrophobicContact CB-CD2 4Å; T466-L470 WeakPolarHBondContact O-CB 3.44Å; T466-L470 PolarHBondContact O-N 3.31Å; T466-L470 VanDerWaalsContact O-N 3.07Å; G467-L470 PolarHBondContact O-N 3.23Å; L468-L470 VanDerWaalsContact C-N 3.29Å; L468-L470 PolarHBondContact O-N 3.43Å; L470-R472 VanDerWaalsContact C-N 3.28Å; L470-R472 PolarHBondContact O-N 2.76Å; L470-V473 WeakPolarHBondContact O-CB 3.29Å; L470-V473 PolarHBondContact O-N 3.46Å; L470-V474 HydrophobicContact CD1-CG2 4.44Å; L470-V474 VanDerWaalsContact O-CG2 3.32Å; L470-V474 WeakPolarHBondContact O-CG2 3.42Å; L470-V474 PolarHBondContact O-N 3.4Å
471	L	95.6	Very high	94.6	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-61.5	-36.7	174.8	-70.2	-176.4	0	0	0	112.1	D429 E431 V433 R450 G467 L468 D469 V474 D475	D429-L471 WeakPolarHBondContact O-CD2 3.46Å; E431-L471 HydrophobicContact CB-CD1 4.05Å; V433-L471 HydrophobicContact CG1-CB 3.76Å; V433-L471 HydrophobicContact CG1-CD1 3.92Å; V433-L471 HydrophobicContact CG1-CG 4.5Å; V433-L471 HydrophobicContact CG2-CB 4.23Å; R450-L471 HydrophobicContact CB-CD2 3.9Å; R450-L471 HydrophobicContact CB-CG 4.39Å; R450-L471 HydrophobicContact CG-CD1 4.45Å; R450-L471 HydrophobicContact CG-CD2 4.17Å; R450-L471 HydrophobicContact CG-CG 4.09Å; G467-L471 WeakPolarHBondContact O-CG 3.41Å; G467-L471 PolarHBondContact O-N 2.79Å; G467-L471 VanDerWaalsContact O-N 3.09Å; L468-L471 WeakPolarHBondContact O-CB 3.19Å; L468-L471 PolarHBondContact O-N 3.12Å; L468-L471 VanDerWaalsContact O-N 3.16Å; D469-L471 PolarHBondContact O-N 3.13Å; L471-V474 PolarHBondContact O-N 3.49Å; L471-D475 PolarHBondContact O-N 3.25Å
472	R	94.2	Very high	94.5	Very high	6 Å²	6	35.6 Å²	35.6	2%	0.023	20%	0.195	C	C	.	.	H	α-helix	trans	-65.5	-40.3	175.7	-68.3	172.1	66.6	-159.5	-3.3	111.8	V433 F434 L468 D469 L470 D475 M476 P500 E543	V433-R472 HydrophobicContact CB-CG 3.64Å; V433-R472 HydrophobicContact CG1-CG 4.46Å; V433-R472 HydrophobicContact CG2-CB 4.34Å; V433-R472 HydrophobicContact CG2-CG 3.44Å; V433-R472 VanDerWaalsContact CG2-CG 3.44Å; F434-R472 HydrophobicContact CE1-CG 4.25Å; F434-R472 HydrophobicContact CE2-CB 4.03Å; F434-R472 HydrophobicContact CE2-CG 3.94Å; F434-R472 HydrophobicContact CZ-CB 3.71Å; F434-R472 HydrophobicContact CZ-CG 3.68Å; L468-R472 WeakPolarHBondContact O-CG 3.31Å; L468-R472 PolarHBondContact O-N 3.3Å; D469-R472 WeakPolarHBondContact O-CB 3.31Å; D469-R472 PolarHBondContact O-N 3.44Å; D469-R472 IonicContact OD1-NH1 3.76Å; L470-R472 VanDerWaalsContact C-N 3.28Å; L470-R472 PolarHBondContact O-N 2.76Å; R472-D475 PolarHBondContact O-N 3.22Å; R472-M476 WeakPolarHBondContact O-CG 3.34Å; R472-M476 PolarHBondContact O-N 3.07Å; R472-P500 PolarHBondContact NH2-O 3.32Å; R472-E543 IonicContact CZ-OE1 2.98Å; R472-E543 IonicContact NH1-OE1 2.8Å; R472-E543 PolarHBondContact NH1-OE1 3.09Å; R472-E543 IonicContact NH2-OE1 2.7Å; R472-E543 PolarHBondContact NH2-OE1 3.02Å
473	V	95.3	Very high	94.4	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-61.5	-46.7	172.2	172.9	0	0	0	0	110.7	V403 D469 L470 D475 M476 E477 L497 I545 V547	V403-V473 HydrophobicContact CG1-CG2 4.12Å; D469-V473 PolarHBondContact O-N 3.38Å; D469-V473 VanDerWaalsContact O-N 3.09Å; L470-V473 WeakPolarHBondContact O-CB 3.29Å; L470-V473 PolarHBondContact O-N 3.46Å; V473-D475 VanDerWaalsContact C-N 3.34Å; V473-D475 PolarHBondContact O-N 2.85Å; V473-M476 WeakPolarHBondContact O-CB 3.32Å; V473-M476 PolarHBondContact O-N 2.89Å; V473-M476 VanDerWaalsContact O-N 3.14Å; V473-E477 HydrophobicContact CG1-CG 4.4Å; V473-E477 WeakPolarHBondContact O-CG 3.31Å; V473-E477 PolarHBondContact O-N 2.84Å; V473-L497 HydrophobicContact CG1-CD2 4.12Å; V473-L497 HydrophobicContact CG2-CD2 4.43Å; V473-I545 HydrophobicContact CG2-CD1 4.22Å; V473-I545 HydrophobicContact CG2-CG2 3.8Å; V473-V547 HydrophobicContact CG1-CG2 3.77Å; V473-V547 HydrophobicContact CG2-CG2 4Å
474	V	95.3	Very high	94.4	Very high	8 Å²	8	36.4 Å²	36.4	5%	0.048	20%	0.199	C	C	.	.	H	α-helix	trans	-61.6	-40.8	179.4	171.7	0	0	0	0	111.7	R445 C449 L470 L471 M476 E477 L478	R445-V474 HydrophobicContact CB-CG1 4.32Å; R445-V474 HydrophobicContact CG-CG1 4.07Å; C449-V474 HydrophobicContact CB-CG1 4.25Å; C449-V474 HydrophobicContact CB-CG2 4.13Å; L470-V474 HydrophobicContact CD1-CG2 4.44Å; L470-V474 VanDerWaalsContact O-CG2 3.32Å; L470-V474 WeakPolarHBondContact O-CG2 3.42Å; L470-V474 PolarHBondContact O-N 3.4Å; L471-V474 PolarHBondContact O-N 3.49Å; V474-M476 VanDerWaalsContact C-N 3.31Å; V474-M476 PolarHBondContact O-N 3.29Å; V474-E477 PolarHBondContact O-N 3.47Å; V474-L478 HydrophobicContact CG1-CD1 3.77Å; V474-L478 HydrophobicContact CG1-CG 4.23Å; V474-L478 WeakPolarHBondContact O-CB 3.45Å; V474-L478 VanDerWaalsContact O-CG 3.3Å; V474-L478 WeakPolarHBondContact O-CG 3.45Å; V474-L478 PolarHBondContact O-N 3.19Å
475	D	93.6	Very high	94.5	Very high	8 Å²	8	38.9 Å²	38.9	4%	0.043	20%	0.201	C	C	.	.	H	α-helix	trans	-59.7	-42	174.4	-80.9	-11	0	0	0	112.2	V433 F434 I440 V443 R445 L471 R472 V473 L478 N479	V433-D475 WeakPolarHBondContact CG2-OD2 3.49Å; F434-D475 HydrophobicContact CD2-CB 4.33Å; F434-D475 WeakPolarHBondContact CD2-OD2 3.46Å; F434-D475 HydrophobicContact CE2-CB 3.87Å; I440-D475 HydrophobicContact CG2-CB 4.26Å; V443-D475 WeakPolarHBondContact CG2-OD1 3.34Å; R445-D475 IonicContact CZ-OD1 3.01Å; R445-D475 IonicContact CZ-OD2 3.37Å; R445-D475 IonicContact NE-OD1 3.08Å; R445-D475 PolarHBondContact NE-OD1 3.44Å; R445-D475 IonicContact NE-OD2 2.75Å; R445-D475 IonicContact NH2-OD1 3.55Å; R445-D475 PolarHBondContact NH2-OD1 3.3Å; R445-D475 IonicContact NH2-OD2 3.25Å; R445-D475 PolarHBondContact NH2-OD2 3.27Å; L471-D475 PolarHBondContact O-N 3.25Å; R472-D475 PolarHBondContact O-N 3.22Å; V473-D475 VanDerWaalsContact C-N 3.34Å; V473-D475 PolarHBondContact O-N 2.85Å; D475-L478 PolarHBondContact O-N 3.28Å; D475-N479 WeakPolarHBondContact O-CB 3.29Å; D475-N479 PolarHBondContact O-N 3.24Å; D475-N479 PolarHBondContact O-ND2 3.4Å
476	M	93.2	Very high	94.4	Very high	8 Å²	8	40.4 Å²	40.4	4%	0.039	21%	0.212	C	C	.	.	H	α-helix	trans	-64.9	-45.2	178	-70	-53.7	96.5	0	0	111	F434 I440 R472 V473 V474 L478 N479 R481 L497 I499	F434-M476 HydrophobicContact CE2-CE 3.76Å; F434-M476 HydrophobicContact CZ-CE 3.9Å; I440-M476 HydrophobicContact CB-CE 4.24Å; I440-M476 HydrophobicContact CD1-CE 3.22Å; I440-M476 HydrophobicContact CD1-SD 4.37Å; I440-M476 HydrophobicContact CG1-CE 3.59Å; I440-M476 HydrophobicContact CG2-CE 3.63Å; R472-M476 WeakPolarHBondContact O-CG 3.34Å; R472-M476 PolarHBondContact O-N 3.07Å; V473-M476 WeakPolarHBondContact O-CB 3.32Å; V473-M476 PolarHBondContact O-N 2.89Å; V473-M476 VanDerWaalsContact O-N 3.14Å; V474-M476 VanDerWaalsContact C-N 3.31Å; V474-M476 PolarHBondContact O-N 3.29Å; M476-L478 PolarHBondContact O-N 2.83Å; M476-N479 PolarHBondContact O-N 3.33Å; M476-R481 CarbonylContact C-O 3.43Å; M476-R481 WeakPolarHBondContact CB-O 3.45Å; M476-R481 CarbonylContact O-C 3.49Å; M476-R481 WeakPolarHBondContact O-CA 3.48Å; M476-R481 PolarHBondContact O-N 3.27Å; M476-L497 HydrophobicContact CB-CD2 3.81Å; M476-L497 HydrophobicContact CG-CD2 4.15Å; M476-I499 HydrophobicContact CG-CD1 3.48Å; M476-I499 VanDerWaalsContact CG-CD1 3.48Å; M476-I499 HydrophobicContact CG-CG1 3.78Å; M476-I499 HydrophobicContact SD-CG1 4.31Å
477	E	93.8	Very high	94.4	Very high	53 Å²	53	41.1 Å²	41.1	25%	0.248	22%	0.218	C	C	.	.	H	α-helix	trans	-59.1	-46	176.6	-70	175.2	161.5	0	0	111.4	R412 V473 V474 N479 N480 R495	R412-E477 IonicContact CZ-OE1 3.81Å; R412-E477 IonicContact CZ-OE2 3.55Å; R412-E477 IonicContact NH1-OE1 3.17Å; R412-E477 PolarHBondContact NH1-OE1 3.28Å; R412-E477 IonicContact NH1-OE2 3.65Å; R412-E477 IonicContact NH2-OE1 2.9Å; R412-E477 PolarHBondContact NH2-OE1 3.3Å; R412-E477 IonicContact NH2-OE2 2.67Å; R412-E477 PolarHBondContact NH2-OE2 2.77Å; V473-E477 HydrophobicContact CG1-CG 4.4Å; V473-E477 WeakPolarHBondContact O-CG 3.31Å; V473-E477 PolarHBondContact O-N 2.84Å; V474-E477 PolarHBondContact O-N 3.47Å; E477-N479 VanDerWaalsContact C-N 3.33Å; E477-N479 PolarHBondContact O-N 2.86Å; E477-N480 PolarHBondContact O-N 3.37Å; E477-R495 IonicContact OE1-CZ 2.66Å; E477-R495 IonicContact OE1-NH1 3.6Å; E477-R495 IonicContact OE1-NH2 2.84Å; E477-R495 PolarHBondContact OE1-NH2 3.48Å
478	L	93.1	Very high	94.4	Very high	74 Å²	74	47.5 Å²	47.5	39%	0.387	25%	0.25	S	S	.	.	H	α-helix	trans	-71	-24.5	179.3	-69.1	175.1	0	0	0	113.7	V443 R445 V474 D475 M476 N480	V443-L478 HydrophobicContact CB-CB 4.17Å; V443-L478 HydrophobicContact CB-CD1 4.05Å; V443-L478 HydrophobicContact CG1-CB 4.11Å; V443-L478 HydrophobicContact CG2-CB 3.95Å; V443-L478 HydrophobicContact CG2-CD1 3.7Å; V443-L478 HydrophobicContact CG2-CG 4.49Å; R445-L478 HydrophobicContact CB-CD1 4.42Å; R445-L478 HydrophobicContact CG-CD1 4.07Å; V474-L478 HydrophobicContact CG1-CD1 3.77Å; V474-L478 HydrophobicContact CG1-CG 4.23Å; V474-L478 WeakPolarHBondContact O-CB 3.45Å; V474-L478 VanDerWaalsContact O-CG 3.3Å; V474-L478 WeakPolarHBondContact O-CG 3.45Å; V474-L478 PolarHBondContact O-N 3.19Å; D475-L478 PolarHBondContact O-N 3.28Å; M476-L478 PolarHBondContact O-N 2.83Å; L478-N480 PolarHBondContact O-N 2.58Å
479	N	91.1	Very high	94.4	Very high	30 Å²	30	47 Å²	47	16%	0.16	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.8	17.8	173.6	-80.1	-93.3	0	0	0	112.8	M441 D475 M476 E477 R481	M441-N479 PolarHBondContact N-OD1 3.48Å; M441-N479 PolarHBondContact O-ND2 3.09Å; D475-N479 WeakPolarHBondContact O-CB 3.29Å; D475-N479 PolarHBondContact O-N 3.24Å; D475-N479 PolarHBondContact O-ND2 3.4Å; M476-N479 PolarHBondContact O-N 3.33Å; E477-N479 VanDerWaalsContact C-N 3.33Å; E477-N479 PolarHBondContact O-N 2.86Å; N479-R481 PolarHBondContact O-N 3.01Å
480	N	91.6	Very high	94.2	Very high	149 Å²	149	55.5 Å²	55.5	80%	0.797	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.2	32.4	-177.1	-62.5	-50	0	0	0	113.5	E477 L478 P482	E477-N480 PolarHBondContact O-N 3.37Å; L478-N480 PolarHBondContact O-N 2.58Å; N480-P482 WeakPolarHBondContact O-CD 3.43Å
481	R	91.6	Very high	94	Very high	133 Å²	133	59.9 Å²	59.9	50%	0.502	31%	0.308	S	S	.	.			trans	-121.1	63.3	174.7	-62.2	-178	-170	166.4	8.4	110.3	G439 M476 N479 G483	G439-R481 PolarHBondContact O-NH2 3.38Å; M476-R481 CarbonylContact C-O 3.43Å; M476-R481 WeakPolarHBondContact CB-O 3.45Å; M476-R481 CarbonylContact O-C 3.49Å; M476-R481 WeakPolarHBondContact O-CA 3.48Å; M476-R481 PolarHBondContact O-N 3.27Å; N479-R481 PolarHBondContact O-N 3.01Å; R481-G483 PolarHBondContact O-N 2.85Å
482	P	91.6	Very high	94.1	Very high	61 Å²	61	59.9 Å²	59.9	40%	0.396	31%	0.308	S	S	.	.			trans	-66	-4.2	179.6	30.7	-36.6	0	0	0	113	N480 R495 L497	N480-P482 WeakPolarHBondContact O-CD 3.43Å; P482-R495 PolarHBondContact O-NH1 3.45Å; P482-L497 VanDerWaalsContact O-CD1 3.25Å; P482-L497 WeakPolarHBondContact O-CD1 3.29Å; P482-L497 WeakPolarHBondContact O-CG 3.34Å
483	G	93.4	Very high	94.3	Very high	28 Å²	28	61 Å²	61	29%	0.289	32%	0.317	S	S	.	.			trans	79	173.3	-176.1	0	0	0	0	0	112.8	R481 R496	R481-G483 PolarHBondContact O-N 2.85Å; G483-R496 CarbonylContact C-O 3.57Å; G483-R496 VanDerWaalsContact CA-O 3.27Å; G483-R496 WeakPolarHBondContact CA-O 3.34Å
484	D	95.3	Very high	94.4	Very high	95 Å²	95	61 Å²	61	51%	0.508	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	138.4	-168.8	-56.8	-41.6	0	0	0	110.7	V486 R495 R496	D484-V486 PolarHBondContact O-N 3.12Å; D484-R495 CarbonylContact O-C 3.52Å; D484-R495 VanDerWaalsContact O-CA 3.29Å; D484-R495 WeakPolarHBondContact O-CA 3.33Å; D484-R496 PolarHBondContact N-O 2.75Å; D484-R496 PolarHBondContact O-N 3.17Å
485	H	96	Very high	94.5	Very high	108 Å²	108	62 Å²	62	50%	0.5	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.3	124.4	174.7	-177.5	-78.2	0	0	0	110.6	A487 I488 S493	H485-A487 PolarHBondContact CE1-O 2.79Å; H485-A487 PolarHBondContact NE2-O 3.28Å; H485-I488 WeakPolarHBondContact NE2-CG1 3.45Å; H485-S493 WeakPolarHBondContact NE2-CB 3.48Å
486	V	95.6	Very high	94.7	Very high	48 Å²	48	64.8 Å²	64.8	29%	0.291	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	-51	-178.4	-178.1	0	0	0	0	111.2	L315 V318 D484 V494 R496	L315-V486 HydrophobicContact CD1-CG1 4.47Å; V318-V486 HydrophobicContact CG2-CG1 3.97Å; D484-V486 PolarHBondContact O-N 3.12Å; V486-V494 HydrophobicContact CB-CB 4.47Å; V486-V494 HydrophobicContact CB-CG1 4.38Å; V486-V494 PolarHBondContact N-O 3.36Å; V486-R496 HydrophobicContact CG2-CB 3.39Å
487	A	97	Very high	94.8	Very high	19 Å²	19	64.5 Å²	64.5	16%	0.157	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.7	149.8	-173.8	0	0	0	0	0	111.5	L315 H485 I489 V494	L315-A487 HydrophobicContact CD1-CB 3.62Å; L315-A487 HydrophobicContact CD2-CB 4.01Å; L315-A487 HydrophobicContact CG-CB 4.49Å; H485-A487 PolarHBondContact CE1-O 2.79Å; H485-A487 PolarHBondContact NE2-O 3.28Å; A487-I489 HydrophobicContact CB-CG2 4.26Å; A487-V494 PolarHBondContact N-O 3.06Å; A487-V494 PolarHBondContact O-N 2.83Å
488	I	96.9	Very high	94.8	Very high	134 Å²	134	66.7 Å²	66.7	69%	0.687	34%	0.341	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-93.4	123.4	162.8	-58.4	179.4	0	0	0	106.1	H485	H485-I488 WeakPolarHBondContact NE2-CG1 3.45Å
489	I	94.8	Very high	94.7	Very high	21 Å²	21	63.1 Å²	63.1	11%	0.108	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	176.4	175.4	67.5	173.7	0	0	0	109.2	T311 I312 L315 A487 N491 G492 V494 Y548	T311-I489 HydrophobicContact CG2-CB 4.17Å; T311-I489 HydrophobicContact CG2-CD1 4.17Å; T311-I489 HydrophobicContact CG2-CG2 4.11Å; I312-I489 HydrophobicContact CD1-CD1 4.27Å; I312-I489 HydrophobicContact CG1-CD1 3.8Å; L315-I489 HydrophobicContact CD1-CG2 4.48Å; A487-I489 HydrophobicContact CB-CG2 4.26Å; I489-N491 PolarHBondContact O-N 2.63Å; I489-G492 PolarHBondContact N-O 2.95Å; I489-G492 PolarHBondContact O-N 3.39Å; I489-V494 HydrophobicContact CD1-CG2 3.72Å; I489-V494 HydrophobicContact CG1-CG2 4Å; I489-V494 HydrophobicContact CG2-CG2 4.2Å; I489-Y548 HydrophobicContact CD1-CD2 3.68Å; I489-Y548 HydrophobicContact CD1-CE2 3.52Å; I489-Y548 HydrophobicContact CD1-CG 4.48Å; I489-Y548 HydrophobicContact CG1-CD2 3.89Å; I489-Y548 HydrophobicContact CG1-CE2 3.35Å
490	K	91.8	Very high	94.5	Very high	178 Å²	178	62.3 Å²	62.3	77%	0.774	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.2	117.5	-174.8	-177	179.9	177.4	-178.2	0	111.4	Y548	K490-Y548 PolarHBondContact O-OH 2.98Å
491	N	93.9	Very high	94	Very high	97 Å²	97	60.2 Å²	60.2	52%	0.519	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	72.9	20.2	178.2	-46.8	-34.7	0	0	0	115.8	I489 Y548 L550 D551	I489-N491 PolarHBondContact O-N 2.63Å; N491-Y548 VanDerWaalsContact C-OH 3.26Å; N491-Y548 PolarHBondContact O-OH 3.07Å; N491-L550 WeakPolarHBondContact O-CA 3.28Å; N491-D551 PolarHBondContact O-N 2.76Å
492	G	97	Very high	93.1	Very high	0 Å²	0	56.3 Å²	56.3	0%	0	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	176.6	-170.1	177	0	0	0	0	0	114.9	I489 Y548 D549 D551	I489-G492 PolarHBondContact N-O 2.95Å; I489-G492 PolarHBondContact O-N 3.39Å; G492-Y548 PolarHBondContact N-OH 3.14Å; G492-D549 CarbonylContact C-O 3.52Å; G492-D549 WeakPolarHBondContact CA-O 3.38Å; G492-D551 PolarHBondContact N-OD2 3.03Å
493	S	97.8	Very high	91.5	Very high	29 Å²	29	61.6 Å²	61.6	20%	0.203	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	148.6	179.5	63.3	0	0	0	0	111.7	H485 Y548 D549	H485-S493 WeakPolarHBondContact NE2-CB 3.48Å; S493-Y548 WeakPolarHBondContact O-CA 3.01Å; S493-Y548 WeakPolarHBondContact O-CD2 3.46Å; S493-D549 PolarHBondContact N-O 3.4Å; S493-D549 PolarHBondContact O-N 2.93Å
494	V	98.2	Very high	89.5	Confident	0 Å²	0	62 Å²	62	0%	0	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	124.2	178	-174.7	0	0	0	0	108.3	I312 V486 A487 I489 Y546 V547 Y548	I312-V494 HydrophobicContact CD1-CG2 4.09Å; I312-V494 HydrophobicContact CG1-CG2 3.82Å; I312-V494 HydrophobicContact CG2-CG1 4.41Å; V486-V494 HydrophobicContact CB-CB 4.47Å; V486-V494 HydrophobicContact CB-CG1 4.38Å; V486-V494 PolarHBondContact N-O 3.36Å; A487-V494 PolarHBondContact N-O 3.06Å; A487-V494 PolarHBondContact O-N 2.83Å; I489-V494 HydrophobicContact CD1-CG2 3.72Å; I489-V494 HydrophobicContact CG1-CG2 4Å; I489-V494 HydrophobicContact CG2-CG2 4.2Å; V494-Y546 HydrophobicContact CG1-CD1 4.36Å; V494-V547 CarbonylContact C-O 3.39Å; V494-V547 WeakPolarHBondContact CA-O 3.13Å; V494-Y548 HydrophobicContact CG2-CD2 3.99Å
495	R	97.8	Very high	87	Confident	29 Å²	29	61.8 Å²	61.8	11%	0.109	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	147.5	171.3	-65	-178.9	-69.6	127	-4.7	110.6	E477 P482 D484 L497 Y546 V547 D549	E477-R495 IonicContact OE1-CZ 2.66Å; E477-R495 IonicContact OE1-NH1 3.6Å; E477-R495 IonicContact OE1-NH2 2.84Å; E477-R495 PolarHBondContact OE1-NH2 3.48Å; P482-R495 PolarHBondContact O-NH1 3.45Å; D484-R495 CarbonylContact O-C 3.52Å; D484-R495 VanDerWaalsContact O-CA 3.29Å; D484-R495 WeakPolarHBondContact O-CA 3.33Å; R495-L497 HydrophobicContact CB-CD1 4.15Å; R495-Y546 WeakPolarHBondContact O-CA 3.38Å; R495-V547 PolarHBondContact N-O 2.88Å; R495-V547 PolarHBondContact O-N 2.79Å; R495-D549 IonicContact CZ-OD2 2.72Å; R495-D549 IonicContact NE-OD2 3.78Å; R495-D549 PolarHBondContact NE-OD2 3.1Å; R495-D549 IonicContact NH2-OD1 3.18Å; R495-D549 PolarHBondContact NH2-OD1 3.44Å; R495-D549 IonicContact NH2-OD2 3.65Å; R495-D549 PolarHBondContact NH2-OD2 3.3Å
496	R	97.7	Very high	84.6	Confident	66 Å²	66	60.9 Å²	60.9	25%	0.249	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	120.3	173.1	-176.5	-179.3	58.4	-141.9	-9	109.2	E321 G483 D484 V486 T544 Y546	E321-R496 WeakPolarHBondContact OE1-CD 3.43Å; E321-R496 IonicContact OE1-CZ 3.59Å; E321-R496 IonicContact OE1-NE 2.73Å; E321-R496 IonicContact OE1-NH1 2.74Å; E321-R496 PolarHBondContact OE1-NH1 3.21Å; E321-R496 VanDerWaalsContact OE2-CD 3.28Å; E321-R496 WeakPolarHBondContact OE2-CD 3.39Å; G483-R496 CarbonylContact C-O 3.57Å; G483-R496 VanDerWaalsContact CA-O 3.27Å; G483-R496 WeakPolarHBondContact CA-O 3.34Å; D484-R496 PolarHBondContact N-O 2.75Å; D484-R496 PolarHBondContact O-N 3.17Å; V486-R496 HydrophobicContact CG2-CB 3.39Å; R496-T544 HydrophobicContact CG-CG2 3.38Å; R496-Y546 HydrophobicContact CB-CD1 4.21Å; R496-Y546 HydrophobicContact CB-CE1 4.04Å; R496-Y546 HydrophobicContact CG-CD1 4.34Å; R496-Y546 HydrophobicContact CG-CE1 3.86Å
497	L	96	Very high	81.7	Confident	3 Å²	3	61 Å²	61	2%	0.016	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	129.8	173.9	-71	71.1	0	0	0	108.7	V473 M476 P482 R495 I499 T544 I545 V547	V473-L497 HydrophobicContact CG1-CD2 4.12Å; V473-L497 HydrophobicContact CG2-CD2 4.43Å; M476-L497 HydrophobicContact CB-CD2 3.81Å; M476-L497 HydrophobicContact CG-CD2 4.15Å; P482-L497 VanDerWaalsContact O-CD1 3.25Å; P482-L497 WeakPolarHBondContact O-CD1 3.29Å; P482-L497 WeakPolarHBondContact O-CG 3.34Å; R495-L497 HydrophobicContact CB-CD1 4.15Å; L497-I499 HydrophobicContact CB-CD1 4.04Å; L497-I499 HydrophobicContact CB-CG1 3.96Å; L497-I499 HydrophobicContact CD2-CD1 4.14Å; L497-T544 WeakPolarHBondContact O-CA 3.41Å; L497-I545 HydrophobicContact CB-CB 4.48Å; L497-I545 PolarHBondContact N-O 3.48Å; L497-I545 PolarHBondContact O-N 2.64Å; L497-V547 HydrophobicContact CD1-CB 4.21Å; L497-V547 HydrophobicContact CD1-CG2 3.69Å
498	I	92.7	Very high	78.7	Confident	98 Å²	98	65.7 Å²	65.7	50%	0.503	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	112.9	172.1	-59.2	175	0	0	0	107	Y542	I498-Y542 HydrophobicContact CG2-CD1 3.85Å; I498-Y542 HydrophobicContact CG2-CG 4.03Å
499	I	90.4	Very high	75.7	Confident	0 Å²	0	67.7 Å²	67.7	0%	0	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	140.3	-169.7	-58	-170.5	0	0	0	109.8	F434 M476 L497 K501 Y542 E543 I545	F434-I499 HydrophobicContact CE1-CG2 3.41Å; F434-I499 VanDerWaalsContact CE1-CG2 3.41Å; F434-I499 HydrophobicContact CZ-CG2 3.33Å; M476-I499 HydrophobicContact CG-CD1 3.48Å; M476-I499 VanDerWaalsContact CG-CD1 3.48Å; M476-I499 HydrophobicContact CG-CG1 3.78Å; M476-I499 HydrophobicContact SD-CG1 4.31Å; L497-I499 HydrophobicContact CB-CD1 4.04Å; L497-I499 HydrophobicContact CB-CG1 3.96Å; L497-I499 HydrophobicContact CD2-CD1 4.14Å; I499-K501 PolarHBondContact O-N 2.9Å; I499-Y542 CarbonylContact O-C 3.56Å; I499-Y542 WeakPolarHBondContact O-CA 3.39Å; I499-E543 PolarHBondContact N-O 3.11Å; I499-E543 PolarHBondContact O-N 3.06Å; I499-I545 HydrophobicContact CD1-CD1 3.81Å; I499-I545 HydrophobicContact CD1-CG1 4.34Å
500	P	86.7	Confident	72.7	Confident	13 Å²	13	76.1 Å²	76.1	8%	0.084	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-55.8	128.8	173.5	-18.3	24.9	0	0	0	111.4	F434 I438 I440 R472 D541 Y542	F434-P500 HydrophobicContact CE1-CG 4.46Å; I438-P500 HydrophobicContact CD1-CB 4.3Å; I438-P500 HydrophobicContact CG2-CB 3.69Å; I438-P500 HydrophobicContact CG2-CG 3.24Å; I440-P500 HydrophobicContact CD1-CG 4.13Å; R472-P500 PolarHBondContact NH2-O 3.32Å; P500-D541 CarbonylContact C-O 3.09Å; P500-D541 WeakPolarHBondContact CA-O 3.49Å; P500-Y542 HydrophobicContact CB-CD1 4.5Å; P500-Y542 HydrophobicContact CB-CE1 4.33Å; P500-Y542 HydrophobicContact CG-CD1 4.27Å; P500-Y542 HydrophobicContact CG-CE1 3.82Å
501	K	82.8	Confident	69.7	Low	104 Å²	104	78.8 Å²	78.8	45%	0.452	39%	0.392	S	S	.	.			trans	-59.4	139.1	173.3	-75.2	179.7	179.1	163.7	0	109.8	I499 S540 D541 Y542 E543	I499-K501 PolarHBondContact O-N 2.9Å; K501-S540 WeakPolarHBondContact CD-O 3.4Å; K501-S540 WeakPolarHBondContact CE-O 3.47Å; K501-S540 PolarHBondContact NZ-O 3.38Å; K501-D541 WeakPolarHBondContact CB-O 3.48Å; K501-D541 PolarHBondContact N-O 3.1Å; K501-Y542 WeakPolarHBondContact CE-O 3.3Å; K501-E543 HydrophobicContact CG-CB 3.8Å; K501-E543 HydrophobicContact CG-CG 4.03Å
502	V	71.5	Confident	66.6	Low	51 Å²	51	81.3 Å²	81.3	31%	0.309	41%	0.405	S	S	.	.			trans	-109.7	122.5	170.6	-174.2	0	0	0	0	106.3	V433 F434 C504	V433-V502 VanDerWaalsContact O-CG2 3.31Å; V433-V502 WeakPolarHBondContact O-CG2 2.91Å; F434-V502 HydrophobicContact CD1-CG2 4.24Å; F434-V502 HydrophobicContact CE1-CG2 4.43Å; V502-C504 PolarHBondContact O-N 3.24Å
503	H	59.4	Low	63.5	Low	172 Å²	172	88.1 Å²	88.1	80%	0.796	45%	0.446	S	S	*	.			trans	-65.4	103.4	170.2	-69.5	-68.8	0	0	0	107.9	S505	H503-S505 PolarHBondContact O-N 2.91Å
504	C	49.8	Very low	60.1	Low	38 Å²	38	95.9 Å²	95.9	26%	0.257	48%	0.479	S	S	.	.			trans	-48.6	127.2	-175	-170.1	0	0	0	0	111	V502 T506 S507	V502-C504 PolarHBondContact O-N 3.24Å; C504-T506 PolarHBondContact O-N 3.42Å; C504-T506 PolarHBondContact SG-OG1 3.23Å; C504-S507 PolarHBondContact O-N 3.1Å
505	S	43.9	Very low	57.1	Low	89 Å²	89	102.4 Å²	102.4	62%	0.622	52%	0.519	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.9	-10.8	176.6	55.5	0	0	0	0	113	H503	H503-S505 PolarHBondContact O-N 2.91Å
506	T	44.9	Very low	54	Low	90 Å²	90	106.4 Å²	106.4	55%	0.552	55%	0.549	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107.1	13.5	-178.5	55.9	0	0	0	0	114.6	C504	C504-T506 PolarHBondContact O-N 3.42Å; C504-T506 PolarHBondContact SG-OG1 3.23Å
507	S	34.7	Very low	50.8	Low	51 Å²	51	110.6 Å²	110.6	36%	0.357	58%	0.576	S	S	.	*	S	Bend	trans	-65.8	144.2	166.9	66.1	0	0	0	0	110.5	C504 E509	C504-S507 PolarHBondContact O-N 3.1Å; S507-E509 PolarHBondContact O-N 3.42Å
508	P	34	Very low	47.9	Very low	117 Å²	117	118 Å²	118	76%	0.76	62%	0.615	S	S	*	*	G	3₁₀ helix	trans	-59.3	-9.8	-175.6	-24	33.2	0	0	0	116.2
509	E	33.3	Very low	45.1	Very low	176 Å²	176	117.6 Å²	117.6	82%	0.822	62%	0.621	S	S	*	*	G	3₁₀ helix	trans	-83	-15.9	-167.2	-72.6	173.1	151.7	0	0	115.2	S507 R511	S507-E509 PolarHBondContact O-N 3.42Å; E509-R511 PolarHBondContact O-N 2.94Å
510	R	33.4	Very low	42.3	Very low	198 Å²	198	124.5 Å²	124.5	75%	0.747	66%	0.658	S	S	*	*	G	3₁₀ helix	trans	-85.9	12.5	-176.5	-94.5	-166.9	-168.4	-167.1	6.5	116.7	L512	R510-L512 PolarHBondContact O-N 3.46Å
511	R	27.8	Very low	39.6	Very low	234 Å²	234	135.6 Å²	135.6	88%	0.883	70%	0.7	S	S	*	*			trans	-71.6	9.2	-178.9	-107.9	-166.9	-97.1	-159	-3.3	115.6	E509	E509-R511 PolarHBondContact O-N 2.94Å
512	L	29.5	Very low	37.4	Very low	150 Å²	150	139.3 Å²	139.3	79%	0.785	72%	0.719	S	S	*	*	S	Bend	trans	-131.9	135.4	179.2	-66.8	164	0	0	0	109.1	R510	R510-L512 PolarHBondContact O-N 3.46Å
513	V	30.8	Very low	35.6	Very low	142 Å²	142	142.2 Å²	142.2	86%	0.861	74%	0.738	S	S	*	*			trans	95.4	83.8	177.3	-162.6	0	0	0	0	115.8
514	Q	27.2	Very low	34.4	Very low	193 Å²	193	146.1 Å²	146.1	90%	0.902	75%	0.746	S	S	*	*			trans	-96.2	124.7	148.3	-73	-179.9	-13.5	0	0	108.3
515	V	34.5	Very low	33.5	Very low	137 Å²	137	151.3 Å²	151.3	83%	0.83	77%	0.771	S	S	*	*			trans	-153.9	140.4	149.3	-177	0	0	0	0	109.4
516	P	32.3	Very low	33	Very low	113 Å²	113	154.9 Å²	154.9	73%	0.734	78%	0.784	S	S	*	*			trans	-105.8	167.5	-157.9	37.4	-27	0	0	0	116.7
517	N	30.5	Very low	32.4	Very low	153 Å²	153	157.5 Å²	157.5	82%	0.818	79%	0.794	S	S	*	*			trans	2.9	128.2	160.5	-69.8	-14.6	0	0	0	119.7
518	N	35.7	Very low	32.3	Very low	159 Å²	159	161.5 Å²	161.5	85%	0.85	81%	0.811	S	S	*	*			trans	-161.2	112.9	133.6	-100.3	-16.2	0	0	0	113.8
519	S	33.6	Very low	32.1	Very low	89 Å²	89	163 Å²	163	62%	0.622	81%	0.806	S	S	*	*			trans	40.8	129.7	134.2	65.8	0	0	0	0	123.3
520	N	31.9	Very low	32	Very low	145 Å²	145	163.8 Å²	163.8	78%	0.775	80%	0.803	S	S	*	*			trans	76.6	100.7	137.4	-63.2	-13.6	0	0	0	119.6
521	Y	29.9	Very low	31.8	Very low	246 Å²	246	160.4 Å²	160.4	97%	0.965	80%	0.804	S	S	*	*			trans	-153.7	123.6	136	-111.5	-82.7	0	0	0	111.3
522	H	36.1	Very low	31.9	Very low	183 Å²	183	156.8 Å²	156.8	85%	0.847	80%	0.802	S	S	*	*			trans	-79.1	158.9	179.1	-96.7	-70.4	0	0	0	112.9
523	P	35.3	Very low	31.9	Very low	111 Å²	111	153 Å²	153	72%	0.721	80%	0.8	S	S	*	*			trans	-89.4	152.4	-164.2	36.2	-33.5	0	0	0	113
524	R	32.6	Very low	32.1	Very low	255 Å²	255	153.8 Å²	153.8	96%	0.962	80%	0.798	S	S	*	*			trans	-119.2	121.9	162.2	-86.2	-170.4	-179.9	-174	1.4	110.7
525	N	32	Very low	32.5	Very low	146 Å²	146	149.4 Å²	149.4	78%	0.781	79%	0.788	S	S	*	*			trans	-52.1	131.9	168.9	-81.3	-18.9	0	0	0	111.8
526	N	34.1	Very low	32.5	Very low	165 Å²	165	148 Å²	148	88%	0.882	78%	0.784	S	S	*	*			trans	-137.3	102.1	144.4	-102	-12.2	0	0	0	107.7	N528	N526-N528 PolarHBondContact O-N 2.99Å
527	N	30.6	Very low	32.8	Very low	145 Å²	145	145.3 Å²	145.3	78%	0.775	77%	0.766	S	S	*	*			trans	-63.3	113.8	162.3	-80.9	-18	0	0	0	107.6
528	N	33.8	Very low	33.1	Very low	134 Å²	134	141.1 Å²	141.1	72%	0.717	75%	0.747	S	S	*	*			trans	-178.4	137	144.2	-101.8	-15.1	0	0	0	110.9	N526	N526-N528 PolarHBondContact O-N 2.99Å
529	F	29.9	Very low	33.9	Very low	149 Å²	149	139.2 Å²	139.2	65%	0.654	74%	0.743	S	S	*	*			trans	93.4	116.9	145.6	-76.2	-54.7	0	0	0	121.5
530	Y	30.7	Very low	35.2	Very low	193 Å²	193	138.5 Å²	138.5	76%	0.757	74%	0.738	S	S	*	*			trans	85.9	99.8	143.8	-60.6	-61.8	0	0	0	120.9
531	V	29.6	Very low	37.5	Very low	126 Å²	126	134.6 Å²	134.6	76%	0.764	72%	0.717	S	S	*	*	S	Bend	trans	-34.9	137.8	134.2	177.8	0	0	0	0	111.4
532	N	29.8	Very low	40.1	Very low	159 Å²	159	126.2 Å²	126.2	85%	0.85	68%	0.684	S	S	*	*			trans	76.5	87.1	179	-60.9	-19.9	0	0	0	116
533	G	29.3	Very low	42.8	Very low	71 Å²	71	118.1 Å²	118.1	73%	0.732	65%	0.647	S	S	*	*			trans	-151.6	72.7	167.9	0	0	0	0	0	110.7	S535	G533-S535 PolarHBondContact O-N 2.91Å
534	I	34.5	Very low	45.6	Very low	158 Å²	158	115 Å²	115	81%	0.81	63%	0.625	S	S	*	*			trans	-67.5	89.5	148.9	-60.9	173.1	0	0	0	103.7	S536	I534-S536 PolarHBondContact O-N 3.41Å
535	S	34.9	Very low	48.7	Very low	101 Å²	101	102.8 Å²	102.8	71%	0.706	58%	0.58	S	S	*	*			trans	-51.8	116.9	164.5	177.8	0	0	0	0	105.9	G533 V537	G533-S535 PolarHBondContact O-N 2.91Å; S535-V537 VanDerWaalsContact C-N 3.32Å; S535-V537 PolarHBondContact O-N 3.08Å
536	S	35.8	Very low	51.8	Low	106 Å²	106	96 Å²	96	74%	0.741	54%	0.543	S	S	*	.			trans	-63.2	90.2	-173.1	53.6	0	0	0	0	109.9	I534	I534-S536 PolarHBondContact O-N 3.41Å
537	V	38.9	Very low	54.9	Low	58 Å²	58	88.1 Å²	88.1	35%	0.352	50%	0.501	S	S	.	.			trans	-66.7	125.4	163.4	-171.6	0	0	0	0	106.1	S535 D541 Y542	S535-V537 VanDerWaalsContact C-N 3.32Å; S535-V537 PolarHBondContact O-N 3.08Å; V537-D541 HydrophobicContact CG1-CB 3.32Å; V537-D541 WeakPolarHBondContact CG1-OD2 3.38Å; V537-Y542 HydrophobicContact CB-CE2 3.82Å; V537-Y542 HydrophobicContact CG1-CE2 4.13Å
538	P	36.2	Very low	58.1	Low	64 Å²	64	81.3 Å²	81.3	42%	0.416	46%	0.464	S	S	.	.			trans	-56.8	147.8	-176.6	17.2	-26.7	0	0	0	111.1	S540 D541	P538-S540 PolarHBondContact O-N 3.49Å; P538-D541 VanDerWaalsContact CD-OD2 3.32Å; P538-D541 WeakPolarHBondContact CD-OD2 2.96Å; P538-D541 WeakPolarHBondContact CG-OD2 3.32Å; P538-D541 WeakPolarHBondContact O-CB 3.33Å; P538-D541 PolarHBondContact O-N 3.34Å
539	P	51.6	Low	61.2	Low	120 Å²	120	76.6 Å²	76.6	78%	0.779	44%	0.439	S	S	*	.	G	3₁₀ helix	trans	-54	-24.1	-177.9	-25.9	33	0	0	0	114.2	D541 Y542	P539-D541 PolarHBondContact O-N 3.34Å; P539-Y542 PolarHBondContact O-N 3.08Å
540	S	61.8	Low	64.4	Low	73 Å²	73	70.4 Å²	70.4	51%	0.51	41%	0.413	S	S	.	.	G	3₁₀ helix	trans	-60	-21.7	175.1	53.6	0	0	0	0	114.4	K501 P538	K501-S540 WeakPolarHBondContact CD-O 3.4Å; K501-S540 WeakPolarHBondContact CE-O 3.47Å; K501-S540 PolarHBondContact NZ-O 3.38Å; P538-S540 PolarHBondContact O-N 3.49Å
541	D	79.1	Confident	67.5	Low	63 Å²	63	65.9 Å²	65.9	34%	0.337	40%	0.402	S	S	.	.	G	3₁₀ helix	trans	-98.6	7.3	-170.1	-61.2	-2.3	0	0	0	112	P500 K501 V537 P538 P539	P500-D541 CarbonylContact C-O 3.09Å; P500-D541 WeakPolarHBondContact CA-O 3.49Å; K501-D541 WeakPolarHBondContact CB-O 3.48Å; K501-D541 PolarHBondContact N-O 3.1Å; V537-D541 HydrophobicContact CG1-CB 3.32Å; V537-D541 WeakPolarHBondContact CG1-OD2 3.38Å; P538-D541 VanDerWaalsContact CD-OD2 3.32Å; P538-D541 WeakPolarHBondContact CD-OD2 2.96Å; P538-D541 WeakPolarHBondContact CG-OD2 3.32Å; P538-D541 WeakPolarHBondContact O-CB 3.33Å; P538-D541 PolarHBondContact O-N 3.34Å; P539-D541 PolarHBondContact O-N 3.34Å
542	Y	86.5	Confident	70.6	Confident	70 Å²	70	68 Å²	68	28%	0.275	40%	0.401	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	150.1	171.1	-68.5	-94.2	0	0	0	110.5	I498 I499 P500 K501 V537 P539	I498-Y542 HydrophobicContact CG2-CD1 3.85Å; I498-Y542 HydrophobicContact CG2-CG 4.03Å; I499-Y542 CarbonylContact O-C 3.56Å; I499-Y542 WeakPolarHBondContact O-CA 3.39Å; P500-Y542 HydrophobicContact CB-CD1 4.5Å; P500-Y542 HydrophobicContact CB-CE1 4.33Å; P500-Y542 HydrophobicContact CG-CD1 4.27Å; P500-Y542 HydrophobicContact CG-CE1 3.82Å; K501-Y542 WeakPolarHBondContact CE-O 3.3Å; V537-Y542 HydrophobicContact CB-CE2 3.82Å; V537-Y542 HydrophobicContact CG1-CE2 4.13Å; P539-Y542 PolarHBondContact O-N 3.08Å
543	E	91.5	Very high	73.7	Confident	14 Å²	14	62.9 Å²	62.9	7%	0.065	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	154.3	170.1	63.1	179.3	137.6	0	0	110.7	S406 R407 R472 I499 K501	S406-E543 PolarHBondContact OG-OE2 3.3Å; R407-E543 IonicContact CZ-OE1 3.75Å; R407-E543 IonicContact CZ-OE2 2.61Å; R407-E543 IonicContact NH1-OE1 2.64Å; R407-E543 PolarHBondContact NH1-OE1 3.01Å; R407-E543 IonicContact NH1-OE2 3.83Å; R407-E543 PolarHBondContact NH1-OE2 2.9Å; R407-E543 IonicContact NH2-OE1 2.87Å; R407-E543 PolarHBondContact NH2-OE1 3.45Å; R407-E543 IonicContact NH2-OE2 3.64Å; R407-E543 PolarHBondContact NH2-OE2 3.09Å; R472-E543 IonicContact CZ-OE1 2.98Å; R472-E543 IonicContact NH1-OE1 2.8Å; R472-E543 PolarHBondContact NH1-OE1 3.09Å; R472-E543 IonicContact NH2-OE1 2.7Å; R472-E543 PolarHBondContact NH2-OE1 3.02Å; I499-E543 PolarHBondContact N-O 3.11Å; I499-E543 PolarHBondContact O-N 3.06Å; K501-E543 HydrophobicContact CG-CB 3.8Å; K501-E543 HydrophobicContact CG-CG 4.03Å
544	T	94.6	Very high	76.7	Confident	44 Å²	44	62 Å²	62	27%	0.27	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	131.6	175.2	-58.6	0	0	0	0	110.2	E321 R496 L497 Y546	E321-T544 PolarHBondContact OE2-OG1 3.45Å; R496-T544 HydrophobicContact CG-CG2 3.38Å; L497-T544 WeakPolarHBondContact O-CA 3.41Å; T544-Y546 HydrophobicContact CG2-CD2 4.16Å; T544-Y546 HydrophobicContact CG2-CE1 4.05Å; T544-Y546 HydrophobicContact CG2-CE2 3.63Å
545	I	96.8	Very high	79.5	Confident	0 Å²	0	59.9 Å²	59.9	0%	0	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	132.2	165.8	-61.7	-171.3	0	0	0	108.5	V403 T405 V473 L497 I499 V547	V403-I545 HydrophobicContact CG1-CG2 3.75Å; T405-I545 HydrophobicContact CG2-CB 4.42Å; T405-I545 HydrophobicContact CG2-CD1 3.76Å; T405-I545 HydrophobicContact CG2-CG1 3.82Å; T405-I545 HydrophobicContact CG2-CG2 3.97Å; V473-I545 HydrophobicContact CG2-CD1 4.22Å; V473-I545 HydrophobicContact CG2-CG2 3.8Å; L497-I545 HydrophobicContact CB-CB 4.48Å; L497-I545 PolarHBondContact N-O 3.48Å; L497-I545 PolarHBondContact O-N 2.64Å; I499-I545 HydrophobicContact CD1-CD1 3.81Å; I499-I545 HydrophobicContact CD1-CG1 4.34Å; I545-V547 HydrophobicContact CG2-CG2 4.11Å
546	Y	98.3	Very high	82.2	Confident	3 Å²	3	55.5 Å²	55.5	1%	0.012	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	131.1	171.3	-62.9	-79.9	0	0	0	110.1	V318 E321 L322 I404 V494 R495 R496 T544	V318-Y546 HydrophobicContact CB-CE1 4.25Å; V318-Y546 HydrophobicContact CG1-CD1 4.39Å; V318-Y546 HydrophobicContact CG1-CD2 4.2Å; V318-Y546 HydrophobicContact CG1-CE1 4Å; V318-Y546 HydrophobicContact CG1-CE2 3.79Å; V318-Y546 HydrophobicContact CG1-CG 4.47Å; V318-Y546 HydrophobicContact CG2-CD1 4.18Å; V318-Y546 HydrophobicContact CG2-CE1 3.61Å; E321-Y546 VanDerWaalsContact CB-OH 3.31Å; E321-Y546 WeakPolarHBondContact CB-OH 3.38Å; E321-Y546 PolarHBondContact OE2-OH 2.99Å; L322-Y546 HydrophobicContact CD2-CE2 4.14Å; L322-Y546 HydrophobicContact CG-CE2 4.32Å; I404-Y546 PolarHBondContact N-O 3.31Å; I404-Y546 PolarHBondContact O-N 2.85Å; V494-Y546 HydrophobicContact CG1-CD1 4.36Å; R495-Y546 WeakPolarHBondContact O-CA 3.38Å; R496-Y546 HydrophobicContact CB-CD1 4.21Å; R496-Y546 HydrophobicContact CB-CE1 4.04Å; R496-Y546 HydrophobicContact CG-CD1 4.34Å; R496-Y546 HydrophobicContact CG-CE1 3.86Å; T544-Y546 HydrophobicContact CG2-CD2 4.16Å; T544-Y546 HydrophobicContact CG2-CE1 4.05Å; T544-Y546 HydrophobicContact CG2-CE2 3.63Å
547	V	98.3	Very high	84.7	Confident	0 Å²	0	52.9 Å²	52.9	0%	0	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	118.8	177	-176.9	0	0	0	0	108	L402 V403 V473 V494 R495 L497 I545	L402-V547 WeakPolarHBondContact O-CA 3.29Å; V403-V547 HydrophobicContact CG2-CG2 4.43Å; V473-V547 HydrophobicContact CG1-CG2 3.77Å; V473-V547 HydrophobicContact CG2-CG2 4Å; V494-V547 CarbonylContact C-O 3.39Å; V494-V547 WeakPolarHBondContact CA-O 3.13Å; R495-V547 PolarHBondContact N-O 2.88Å; R495-V547 PolarHBondContact O-N 2.79Å; L497-V547 HydrophobicContact CD1-CB 4.21Å; L497-V547 HydrophobicContact CD1-CG2 3.69Å; I545-V547 HydrophobicContact CG2-CG2 4.11Å
548	Y	98.4	Very high	87.2	Confident	1 Å²	1	50.1 Å²	50.1	0%	0.004	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	118.2	169.9	174.3	-118.3	0	0	0	109.4	W304 V308 I312 G401 L402 I489 K490 N491 G492 S493 V494 L550	W304-Y548 HydrophobicContact CZ2-CD1 4.22Å; W304-Y548 HydrophobicContact CZ2-CE1 4.05Å; V308-Y548 HydrophobicContact CG1-CD1 3.48Å; V308-Y548 VanDerWaalsContact CG1-CD1 3.48Å; V308-Y548 HydrophobicContact CG1-CE1 3.85Å; V308-Y548 HydrophobicContact CG1-CG 3.87Å; V308-Y548 HydrophobicContact CG2-CD1 4.26Å; V308-Y548 HydrophobicContact CG2-CE1 3.8Å; I312-Y548 HydrophobicContact CD1-CG 4.26Å; G401-Y548 CarbonylContact C-O 3.6Å; G401-Y548 WeakPolarHBondContact CA-O 3.37Å; L402-Y548 HydrophobicContact CB-CD1 4.4Å; L402-Y548 PolarHBondContact N-O 3.11Å; L402-Y548 PolarHBondContact O-N 3.49Å; I489-Y548 HydrophobicContact CD1-CD2 3.68Å; I489-Y548 HydrophobicContact CD1-CE2 3.52Å; I489-Y548 HydrophobicContact CD1-CG 4.48Å; I489-Y548 HydrophobicContact CG1-CD2 3.89Å; I489-Y548 HydrophobicContact CG1-CE2 3.35Å; K490-Y548 PolarHBondContact O-OH 2.98Å; N491-Y548 VanDerWaalsContact C-OH 3.26Å; N491-Y548 PolarHBondContact O-OH 3.07Å; G492-Y548 PolarHBondContact N-OH 3.14Å; S493-Y548 WeakPolarHBondContact O-CA 3.01Å; S493-Y548 WeakPolarHBondContact O-CD2 3.46Å; V494-Y548 HydrophobicContact CG2-CD2 3.99Å; Y548-L550 HydrophobicContact CE1-CD2 3.58Å; Y548-L550 HydrophobicContact CE1-CG 3.97Å
549	D	97.8	Very high	89.6	Confident	35 Å²	35	47.2 Å²	47.2	19%	0.187	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	124.7	176.1	-59.1	-61.3	0	0	0	109.8	R412 G492 S493 R495	R412-D549 IonicContact NH1-OD1 3.81Å; R412-D549 PolarHBondContact NH1-OD1 2.98Å; G492-D549 CarbonylContact C-O 3.52Å; G492-D549 WeakPolarHBondContact CA-O 3.38Å; S493-D549 PolarHBondContact N-O 3.4Å; S493-D549 PolarHBondContact O-N 2.93Å; R495-D549 IonicContact CZ-OD2 2.72Å; R495-D549 IonicContact NE-OD2 3.78Å; R495-D549 PolarHBondContact NE-OD2 3.1Å; R495-D549 IonicContact NH2-OD1 3.18Å; R495-D549 PolarHBondContact NH2-OD1 3.44Å; R495-D549 IonicContact NH2-OD2 3.65Å; R495-D549 PolarHBondContact NH2-OD2 3.3Å
550	L	97.2	Very high	91.4	Very high	20 Å²	20	41.5 Å²	41.5	11%	0.105	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	138.5	175	-73.3	165.2	0	0	0	110.6	W304 I399 T400 N491 Y548 F552 Q554	W304-L550 HydrophobicContact CH2-CD1 4.47Å; W304-L550 HydrophobicContact CZ2-CD1 3.81Å; W304-L550 HydrophobicContact CZ2-CD2 4.17Å; W304-L550 HydrophobicContact CZ2-CG 4.14Å; I399-L550 HydrophobicContact CG2-CD1 4.39Å; I399-L550 WeakPolarHBondContact O-CD1 3.24Å; T400-L550 WeakPolarHBondContact O-CB 3.19Å; T400-L550 PolarHBondContact O-N 3.33Å; N491-L550 WeakPolarHBondContact O-CA 3.28Å; Y548-L550 HydrophobicContact CE1-CD2 3.58Å; Y548-L550 HydrophobicContact CE1-CG 3.97Å; L550-F552 PolarHBondContact O-N 3.07Å; L550-Q554 HydrophobicContact CD1-CG 4.19Å
551	D	96.8	Very high	92.6	Very high	97 Å²	97	38 Å²	38	52%	0.519	19%	0.185	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.2	-36.9	171.2	-64.3	-33.3	0	0	0	111.2	N491 G492	N491-D551 PolarHBondContact O-N 2.76Å; G492-D551 PolarHBondContact N-OD2 3.03Å
552	F	95.4	Very high	93	Very high	170 Å²	170	35.2 Å²	35.2	75%	0.746	17%	0.17	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-133.9	124.8	178.2	-59.8	-77.1	0	0	0	110.7	L550 Q554	L550-F552 PolarHBondContact O-N 3.07Å; F552-Q554 PolarHBondContact O-N 3.09Å
553	P	94.2	Very high	93.1	Very high	52 Å²	52	33.3 Å²	33.3	34%	0.338	17%	0.167	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.1	137.9	177.8	-23.7	32.9	0	0	0	113	Q398 I399 T400 H555	Q398-P553 HydrophobicContact CB-CB 3.98Å; Q398-P553 HydrophobicContact CG-CB 4.28Å; I399-P553 CarbonylContact O-C 3.57Å; I399-P553 VanDerWaalsContact O-CA 3.24Å; I399-P553 WeakPolarHBondContact O-CA 3.47Å; T400-P553 HydrophobicContact CG2-CB 4.29Å; T400-P553 HydrophobicContact CG2-CG 4.32Å; P553-H555 PolarHBondContact O-ND1 3.39Å
554	Q	93.1	Very high	92.9	Very high	54 Å²	54	34.3 Å²	34.3	25%	0.252	17%	0.17	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-88	134.5	175.6	-66.7	178.5	67.7	0	0	110.3	Q398 I399 L550 F552 Y556	Q398-Q554 CarbonylContact C-O 3.4Å; Q398-Q554 WeakPolarHBondContact CA-O 3.41Å; I399-Q554 HydrophobicContact CB-CB 4.37Å; I399-Q554 PolarHBondContact N-O 2.78Å; I399-Q554 PolarHBondContact O-N 3.35Å; L550-Q554 HydrophobicContact CD1-CG 4.19Å; F552-Q554 PolarHBondContact O-N 3.09Å; Q554-Y556 HydrophobicContact CB-CD2 4.3Å; Q554-Y556 HydrophobicContact CB-CE2 3.66Å; Q554-Y556 PolarHBondContact OE1-OH 2.96Å
555	H	92.1	Very high	92.9	Very high	113 Å²	113	33.8 Å²	33.8	52%	0.523	17%	0.165	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	127.9	-174.7	-66.2	67.7	0	0	0	110.5	T396 V397 Q398 P553	T396-H555 HydrophobicContact CG2-CB 4.04Å; V397-H555 WeakPolarHBondContact O-CA 3.37Å; Q398-H555 PolarHBondContact NE2-NE2 2.96Å; P553-H555 PolarHBondContact O-ND1 3.39Å
556	Y	91.4	Very high	92.7	Very high	9 Å²	9	35.6 Å²	35.6	4%	0.035	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	142.7	179.8	-72.9	-94.7	0	0	0	110.8	W258 E297 R300 L301 T396 V397 I399 Q554	W258-Y556 HydrophobicContact CZ2-CG 4.17Å; W258-Y556 AromaticContact NE1-CD1 3.73Å; E297-Y556 HydrophobicContact CB-CD1 4.29Å; E297-Y556 WeakPolarHBondContact O-CE1 3.49Å; E297-Y556 VanDerWaalsContact OE2-CD1 3.27Å; E297-Y556 WeakPolarHBondContact OE2-CD1 3.46Å; R300-Y556 HydrophobicContact CB-CE1 4.25Å; L301-Y556 WeakPolarHBondContact CA-OH 3.44Å; L301-Y556 HydrophobicContact CB-CD1 4.39Å; L301-Y556 HydrophobicContact CB-CE1 3.73Å; L301-Y556 HydrophobicContact CD1-CE2 4.19Å; T396-Y556 CarbonylContact C-O 3.51Å; T396-Y556 VanDerWaalsContact CA-O 3.31Å; T396-Y556 WeakPolarHBondContact CA-O 3.49Å; V397-Y556 PolarHBondContact N-O 3.1Å; V397-Y556 PolarHBondContact O-N 3.26Å; I399-Y556 HydrophobicContact CB-CD2 4.41Å; I399-Y556 HydrophobicContact CB-CE2 4.26Å; I399-Y556 HydrophobicContact CG1-CD2 3.51Å; I399-Y556 HydrophobicContact CG1-CE2 3.6Å; Q554-Y556 HydrophobicContact CB-CD2 4.3Å; Q554-Y556 HydrophobicContact CB-CE2 3.66Å; Q554-Y556 PolarHBondContact OE1-OH 2.96Å
557	R	89.6	Confident	92.3	Very high	51 Å²	51	37.4 Å²	37.4	19%	0.192	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	141.7	170	-64.9	-66.3	-77.9	162.6	-4.9	109.5	E101 W105 W258 F395 T396	E101-R557 IonicContact OE1-CZ 3.8Å; E101-R557 IonicContact OE1-NE 2.85Å; E101-R557 PolarHBondContact OE1-NE 3.22Å; E101-R557 IonicContact OE1-NH2 3.21Å; E101-R557 PolarHBondContact OE1-NH2 2.86Å; E101-R557 VanDerWaalsContact OE1-NH2 3.17Å; E101-R557 IonicContact OE2-CZ 2.75Å; E101-R557 IonicContact OE2-NE 2.72Å; E101-R557 IonicContact OE2-NH2 3.22Å; E101-R557 PolarHBondContact OE2-NH2 2.78Å; W105-R557 HydrophobicContact CH2-CB 3.9Å; W105-R557 WeakPolarHBondContact CH2-O 3.37Å; W105-R557 HydrophobicContact CZ2-CB 3.43Å; W105-R557 VanDerWaalsContact CZ2-CB 3.43Å; W258-R557 PolarHBondContact NE1-O 3.5Å; F395-R557 VanDerWaalsContact C-NH1 3.33Å; F395-R557 CarbonylContact O-C 3.58Å; F395-R557 WeakPolarHBondContact O-CA 3.1Å; F395-R557 PolarHBondContact O-NH1 3.28Å; T396-R557 VanDerWaalsContact OG1-CD 3.28Å; T396-R557 WeakPolarHBondContact OG1-CD 3.16Å; T396-R557 PolarHBondContact OG1-NH1 3.12Å
558	V	89.5	Confident	92	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.5	149.1	179.5	-69.3	0	0	0	0	111.1	W256 W258 L394 F395 V397	W256-V558 HydrophobicContact CB-CB 3.9Å; W256-V558 HydrophobicContact CB-CG2 3.67Å; W256-V558 HydrophobicContact CG-CG2 3.93Å; W258-V558 HydrophobicContact CD2-CG1 3.49Å; W258-V558 VanDerWaalsContact CD2-CG1 3.49Å; W258-V558 HydrophobicContact CE3-CG1 3.79Å; W258-V558 HydrophobicContact CG-CG1 4.13Å; W258-V558 HydrophobicContact CH2-CG1 3.65Å; W258-V558 HydrophobicContact CZ2-CG1 3.34Å; W258-V558 HydrophobicContact CZ3-CG1 3.86Å; L394-V558 CarbonylContact C-O 3.55Å; L394-V558 WeakPolarHBondContact CA-O 3.48Å; F395-V558 HydrophobicContact CB-CG2 4.15Å; F395-V558 PolarHBondContact N-O 2.68Å; F395-V558 PolarHBondContact O-N 2.8Å; V397-V558 HydrophobicContact CB-CG2 4.44Å; V397-V558 HydrophobicContact CG1-CG2 3.63Å; V397-V558 HydrophobicContact CG2-CG1 3.92Å; V397-V558 HydrophobicContact CG2-CG2 4.05Å
559	T	88.1	Confident	91.6	Very high	2 Å²	2	42 Å²	42	1%	0.012	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	129.4	175.8	-54.3	0	0	0	0	110.4	I102 W105 W256 F257 K393 L394 A561	I102-T559 HydrophobicContact CD1-CG2 3.84Å; W105-T559 VanDerWaalsContact CE3-OG1 3.22Å; W256-T559 CarbonylContact C-O 3.06Å; W256-T559 WeakPolarHBondContact CA-O 3.5Å; F257-T559 PolarHBondContact N-O 3.43Å; F257-T559 PolarHBondContact O-N 3.32Å; K393-T559 WeakPolarHBondContact O-CA 3.12Å; L394-T559 WeakPolarHBondContact CD2-OG1 3.47Å; T559-A561 PolarHBondContact O-N 2.73Å
560	F	88.8	Confident	91.2	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	121.3	170.3	-174.2	-105.7	0	0	0	110.3	Y254 G255 W256 A366 Y380 V386 L391 G392 K393 F395 L424	Y254-F560 HydrophobicContact CD1-CZ 4.48Å; G255-F560 CarbonylContact O-C 3.51Å; G255-F560 WeakPolarHBondContact O-CA 3.41Å; G255-F560 VanDerWaalsContact O-CD2 3.27Å; G255-F560 WeakPolarHBondContact O-CD2 3.4Å; W256-F560 AromaticContact CD2-CD2 3.98Å; W256-F560 HydrophobicContact CD2-CD2 3.98Å; W256-F560 AromaticContact CE2-CD2 3.69Å; W256-F560 HydrophobicContact CG-CD2 4.19Å; W256-F560 HydrophobicContact CZ2-CD2 4.08Å; W256-F560 HydrophobicContact CZ2-CE2 4.39Å; W256-F560 AromaticContact NE1-CD2 3.73Å; A366-F560 HydrophobicContact CB-CE2 3.93Å; Y380-F560 WeakPolarHBondContact OH-CZ 3Å; V386-F560 HydrophobicContact CG1-CE1 4.45Å; L391-F560 HydrophobicContact CD1-CD1 4.37Å; L391-F560 HydrophobicContact CD1-CE1 4.4Å; G392-F560 WeakPolarHBondContact CA-O 3.36Å; G392-F560 PolarHBondContact N-O 2.84Å; K393-F560 PolarHBondContact O-N 2.8Å; F395-F560 HydrophobicContact CD2-CB 3.93Å; F395-F560 HydrophobicContact CE2-CB 3.55Å; L424-F560 HydrophobicContact CB-CE2 4.2Å; L424-F560 HydrophobicContact CB-CZ 4.29Å; L424-F560 HydrophobicContact CD1-CB 4.41Å; L424-F560 HydrophobicContact CD1-CD1 3.87Å; L424-F560 HydrophobicContact CD1-CD2 3.91Å; L424-F560 HydrophobicContact CD1-CE1 4.09Å; L424-F560 HydrophobicContact CD1-CE2 4.11Å; L424-F560 HydrophobicContact CD1-CG 3.79Å; L424-F560 HydrophobicContact CD1-CZ 4.2Å; L424-F560 HydrophobicContact CD2-CD1 4.18Å; L424-F560 HydrophobicContact CD2-CE1 3.63Å; L424-F560 HydrophobicContact CD2-CE2 4.41Å; L424-F560 HydrophobicContact CD2-CZ 3.76Å; L424-F560 HydrophobicContact CG-CE1 4.4Å; L424-F560 HydrophobicContact CG-CE2 4.49Å; L424-F560 HydrophobicContact CG-CZ 4.32Å
561	A	87	Confident	90.7	Very high	1 Å²	1	44.1 Å²	44.1	1%	0.008	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.8	-169.3	-175.7	0	0	0	0	0	111.5	G255 F257 T559	G255-A561 PolarHBondContact N-O 3.16Å; G255-A561 VanDerWaalsContact N-O 3.09Å; G255-A561 PolarHBondContact O-N 3.29Å; F257-A561 HydrophobicContact CD2-CB 3.78Å; F257-A561 HydrophobicContact CE2-CB 3.97Å; F257-A561 WeakPolarHBondContact CE2-O 3.32Å; T559-A561 PolarHBondContact O-N 2.73Å
562	A	88.1	Confident	90.3	Very high	3 Å²	3	40 Å²	40	3%	0.025	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	143.2	177.2	0	0	0	0	0	110	P251 Y254 Y564	P251-A562 HydrophobicContact CB-CB 3.8Å; P251-A562 HydrophobicContact CG-CB 3.75Å; Y254-A562 HydrophobicContact CD1-CB 3.85Å; Y254-A562 HydrophobicContact CE1-CB 3.92Å; A562-Y564 HydrophobicContact CB-CD2 4.18Å; A562-Y564 HydrophobicContact CB-CE2 3.48Å; A562-Y564 VanDerWaalsContact CB-CE2 3.48Å
563	S	88.4	Confident	89.9	Confident	31 Å²	31	29.2 Å²	29.2	22%	0.217	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	110.6	175.4	-174.4	0	0	0	0	109.2	P251 C252 Y253	P251-S563 WeakPolarHBondContact CB-O 3.37Å; C252-S563 WeakPolarHBondContact CB-O 3.48Å; C252-S563 PolarHBondContact N-O 2.99Å; Y253-S563 PolarHBondContact N-O 3.03Å; Y253-S563 PolarHBondContact O-N 3.45Å; Y253-S563 PolarHBondContact OH-OG 2.89Å
564	Y	88.1	Confident	89.5	Confident	34 Å²	34	27.1 Å²	27.1	13%	0.133	13%	0.127	C	C	.	.			trans	-95.1	0	-175.8	-66.9	-92.5	0	0	0	112.4	T200 V210 M212 I249 P251 Y371 A562	T200-Y564 HydrophobicContact CG2-CG 4.22Å; V210-Y564 HydrophobicContact CB-CD2 3.82Å; V210-Y564 HydrophobicContact CB-CE2 4.32Å; V210-Y564 HydrophobicContact CG1-CD2 3.76Å; V210-Y564 HydrophobicContact CG1-CE2 4.01Å; M212-Y564 HydrophobicContact CE-CD1 3.84Å; M212-Y564 HydrophobicContact CE-CD2 4.32Å; M212-Y564 HydrophobicContact CE-CE1 3.92Å; M212-Y564 HydrophobicContact CE-CE2 4.35Å; M212-Y564 HydrophobicContact CE-CG 4.06Å; M212-Y564 HydrophobicContact CG-CD2 4.5Å; M212-Y564 HydrophobicContact CG-CE1 3.83Å; M212-Y564 HydrophobicContact CG-CE2 3.68Å; M212-Y564 VanDerWaalsContact CG-OH 3.23Å; M212-Y564 WeakPolarHBondContact CG-OH 3.41Å; I249-Y564 HydrophobicContact CB-CE1 4.45Å; I249-Y564 HydrophobicContact CG2-CD1 3.86Å; I249-Y564 HydrophobicContact CG2-CE1 3.81Å; P251-Y564 HydrophobicContact CB-CD1 3.85Å; P251-Y564 HydrophobicContact CB-CD2 4.31Å; P251-Y564 HydrophobicContact CB-CE1 3.85Å; P251-Y564 HydrophobicContact CB-CE2 4.34Å; P251-Y564 HydrophobicContact CB-CG 4.09Å; P251-Y564 HydrophobicContact CG-CE1 4.37Å; Y371-Y564 VanDerWaalsContact CE1-OXT 3.24Å; Y371-Y564 WeakPolarHBondContact CE1-OXT 3.32Å; A562-Y564 HydrophobicContact CB-CD2 4.18Å; A562-Y564 HydrophobicContact CB-CE2 3.48Å; A562-Y564 VanDerWaalsContact CB-CE2 3.48Å

Retrieved 564 of 564 residues in 338.4 ms (Link to these results)

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