A0A087XUT7_POEFO Loading...

Kelch-like family member 31

AlphaFold DB , UniProt , Accession A0A087XUT7, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 633 aa.

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(Predicted Aligned Error values between residue pairs)

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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	33.6	Very low	29.6	Very low	253 Å²	253	167.3 Å²	167.3	100%	1.246	84%	0.835	S	S	*	*				0	143.4	0	-73.9	171.7	171.9	0	0	108.6
2	A	28.4	Very low	29.1	Very low	92 Å²	92	163.6 Å²	163.6	76%	0.76	84%	0.837	S	S	*	*			trans	-105.5	-173.6	179.3	0	0	0	0	0	110.1
3	P	52.5	Low	28.8	Very low	115 Å²	115	163.8 Å²	163.8	75%	0.747	83%	0.829	S	S	*	*				-131.2	-179.6	-60.8	37.5	-23.9	0	0	0	111.9
4	K	27.5	Very low	28.6	Very low	212 Å²	212	156.7 Å²	156.7	92%	0.922	82%	0.817	S	S	*	*			trans	-177.5	151	138.3	-104.3	161.5	-175.5	179	0	114.7
5	K	30.1	Very low	28.5	Very low	191 Å²	191	154.9 Å²	154.9	83%	0.83	81%	0.808	S	S	*	*			trans	-104.2	146.6	166.5	-72.6	178.1	172.3	177.7	0	110
6	N	26.1	Very low	28.5	Very low	143 Å²	143	155.6 Å²	155.6	77%	0.765	81%	0.811	S	S	*	*				172.1	136	114.2	-96.5	-17.9	0	0	0	116.6
7	K	26.4	Very low	28.6	Very low	177 Å²	177	155.2 Å²	155.2	77%	0.77	81%	0.81	S	S	*	*			trans	66	124.9	140.3	-78.7	-171.3	172.2	-174.7	0	125
8	M	24.5	Very low	28.4	Very low	143 Å²	143	155.7 Å²	155.7	70%	0.704	81%	0.814	S	S	*	*				106.3	113.9	121.3	-84.8	178.8	68.7	0	0	123.4
9	T	25	Very low	28.4	Very low	116 Å²	116	155.5 Å²	155.5	71%	0.712	81%	0.812	S	S	*	*			trans	64.5	153.4	140.9	56.6	0	0	0	0	119.8
10	K	25.5	Very low	28.4	Very low	195 Å²	195	157.2 Å²	157.2	85%	0.848	82%	0.818	S	S	*	*			cis	-156.3	166.4	10.4	-139.8	175.1	-176.1	179.3	0	112.7
11	K	25.8	Very low	28.5	Very low	203 Å²	203	156.1 Å²	156.1	88%	0.883	82%	0.818	S	S	*	*			trans	-33.6	140.9	-179.2	-65.6	-178.3	171.5	-173	0	121.5
12	S	23.6	Very low	28.3	Very low	123 Å²	123	152.7 Å²	152.7	86%	0.86	80%	0.799	S	S	*	*				-162.4	167.1	129.4	68.6	0	0	0	0	107.8
13	K	26.2	Very low	28.3	Very low	167 Å²	167	155.9 Å²	155.9	73%	0.726	80%	0.803	S	S	*	*			cis	-148.3	170.5	-17.4	-161.5	-142.6	172.4	-145.2	0	106.6	D15	K13-D15 IonicContact NZ-OD1 3.59Å; K13-D15 PolarHBondContact NZ-OD1 3.43Å; K13-D15 IonicContact NZ-OD2 3.84Å; K13-D15 PolarHBondContact NZ-OD2 3.32Å
14	G	25.9	Very low	27.1	Very low	64 Å²	64	153.4 Å²	153.4	66%	0.66	79%	0.788	S	S	*	*			trans	167.6	126.1	166.5	0	0	0	0	0	113.4
15	D	26	Very low	27.4	Very low	129 Å²	129	149 Å²	149	69%	0.69	78%	0.782	S	S	*	*			trans	-84.7	156.8	-171.4	-53.9	-80.3	0	0	0	112.9	K13	K13-D15 IonicContact NZ-OD1 3.59Å; K13-D15 PolarHBondContact NZ-OD1 3.43Å; K13-D15 IonicContact NZ-OD2 3.84Å; K13-D15 PolarHBondContact NZ-OD2 3.32Å
16	I	29.8	Very low	27.8	Very low	166 Å²	166	145.6 Å²	145.6	85%	0.851	77%	0.771	S	S	*	*			trans	-118	130.2	174	-64.7	178	0	0	0	108.6
17	N	28.9	Very low	28.4	Very low	149 Å²	149	144.3 Å²	144.3	80%	0.797	77%	0.765	S	S	*	*			trans	-75.9	148.9	-178.9	-72.6	-32.4	0	0	0	112.8
18	D	26.2	Very low	29	Very low	164 Å²	164	145.3 Å²	145.3	88%	0.877	77%	0.769	S	S	*	*			trans	-58.2	137.5	166.5	-67.5	-59.8	0	0	0	112.1
19	I	28.1	Very low	29.8	Very low	152 Å²	152	145.1 Å²	145.1	78%	0.779	77%	0.769	S	S	*	*			trans	-126.2	116.8	160.1	-61.8	179.8	0	0	0	106.8	V21	I19-V21 PolarHBondContact O-N 2.6Å
20	M	28.2	Very low	30.9	Very low	190 Å²	190	144.4 Å²	144.4	94%	0.936	76%	0.761	S	S	*	*	P	Polyproline II helix	trans	-63.3	121.8	174.8	-71.9	-177.3	170.1	0	0	110
21	V	31	Very low	31.8	Very low	134 Å²	134	136.8 Å²	136.8	81%	0.812	74%	0.737	S	S	*	*	P	Polyproline II helix	trans	-94.4	124.2	171.7	178.6	0	0	0	0	108.7	I19	I19-V21 PolarHBondContact O-N 2.6Å
22	E	28.4	Very low	32.9	Very low	181 Å²	181	132.7 Å²	132.7	85%	0.846	73%	0.725	S	S	*	*	P	Polyproline II helix	trans	-61.8	150.6	176.9	-68.1	-176.7	121.3	0	0	112.4	S24	E22-S24 PolarHBondContact O-N 2.85Å
23	N	27.9	Very low	34.1	Very low	160 Å²	160	131.7 Å²	131.7	86%	0.856	71%	0.71	S	S	*	*			trans	-64.8	91.9	-171.7	-73.2	-64.7	0	0	0	113.6
24	S	29.3	Very low	35.2	Very low	62 Å²	62	129.4 Å²	129.4	43%	0.434	71%	0.71	S	S	.	*			trans	-76.6	145.4	167.4	177.3	0	0	0	0	111.9	E22 I26	E22-S24 PolarHBondContact O-N 2.85Å; S24-I26 PolarHBondContact O-N 3.2Å
25	P	32.5	Very low	36.3	Very low	120 Å²	120	133 Å²	133	78%	0.779	71%	0.713	S	S	*	*	G	3₁₀ helix	trans	-64.1	-7	-178.5	-22.5	34	0	0	0	116.3	N27	P25-N27 VanDerWaalsContact C-N 3.25Å; P25-N27 PolarHBondContact O-N 3.09Å
26	I	38.2	Very low	37.7	Very low	120 Å²	120	132.2 Å²	132.2	62%	0.615	71%	0.708	S	S	*	*	G	3₁₀ helix	trans	-65	-24.6	-172.6	-67.6	173.5	0	0	0	112.9	S24 K28 I29	S24-I26 PolarHBondContact O-N 3.2Å; I26-K28 PolarHBondContact O-N 2.88Å; I26-I29 PolarHBondContact O-N 2.79Å; I26-I29 VanDerWaalsContact O-N 3.14Å
27	N	38.7	Very low	38.5	Very low	116 Å²	116	133.4 Å²	133.4	62%	0.62	71%	0.71	S	S	*	*	G	3₁₀ helix	trans	-61.3	-7.8	-178.5	-82.4	-20.5	0	0	0	115.7	P25	P25-N27 VanDerWaalsContact C-N 3.25Å; P25-N27 PolarHBondContact O-N 3.09Å
28	K	38.8	Very low	39.5	Very low	198 Å²	198	129 Å²	129	86%	0.861	70%	0.7	S	S	*	*	G	3₁₀ helix	trans	-79.7	-11	174.1	-74.2	-170.9	175.3	-177.5	0	115.1	I26	I26-K28 PolarHBondContact O-N 2.88Å
29	I	42.9	Very low	40.7	Very low	139 Å²	139	125.1 Å²	125.1	71%	0.713	70%	0.698	S	S	*	*	S	Bend	trans	-89.7	-15.5	179.3	-63.8	178.3	0	0	0	112.3	I26 G31	I26-I29 PolarHBondContact O-N 2.79Å; I26-I29 VanDerWaalsContact O-N 3.14Å; I29-G31 PolarHBondContact O-N 3.43Å
30	N	46.5	Very low	41.8	Very low	101 Å²	101	124.1 Å²	124.1	54%	0.54	70%	0.695	S	S	.	*			trans	-75.7	26.2	177.9	-74.4	-13.4	0	0	0	115	L32 N33	N30-L32 PolarHBondContact O-N 2.69Å; N30-N33 PolarHBondContact O-N 2.57Å
31	G	44.6	Very low	43	Very low	34 Å²	34	119.6 Å²	119.6	35%	0.351	70%	0.696	S	S	.	*	T	Hydrogen-bonded Turn	trans	-63.4	-2.7	170.3	0	0	0	0	0	114.6	I29 N33 T34	I29-G31 PolarHBondContact O-N 3.43Å; G31-N33 VanDerWaalsContact C-N 3.32Å; G31-T34 PolarHBondContact O-N 2.92Å; G31-T34 PolarHBondContact O-OG1 2.96Å
32	L	49.4	Very low	43.8	Very low	117 Å²	117	122.1 Å²	122.1	61%	0.613	70%	0.697	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.5	-32	168.9	-77	163.3	0	0	0	112.6	N30 T34 L35 I36	N30-L32 PolarHBondContact O-N 2.69Å; L32-T34 VanDerWaalsContact C-N 3.28Å; L32-T34 PolarHBondContact O-N 3.31Å; L32-L35 HydrophobicContact CD2-CD1 4.36Å; L32-L35 WeakPolarHBondContact O-CB 3.32Å; L32-L35 PolarHBondContact O-N 3.49Å; L32-I36 WeakPolarHBondContact O-CG1 3.42Å; L32-I36 PolarHBondContact O-N 3.02Å
33	N	48.1	Very low	45	Very low	103 Å²	103	118.4 Å²	118.4	55%	0.551	69%	0.691	S	S	*	*	G	3₁₀ helix	trans	-66.9	-29.9	176.6	-78.2	-5.7	0	0	0	112.5	N30 G31 L35 I36	N30-N33 PolarHBondContact O-N 2.57Å; G31-N33 VanDerWaalsContact C-N 3.32Å; N33-L35 VanDerWaalsContact C-N 3.25Å; N33-L35 PolarHBondContact O-N 2.77Å; N33-I36 PolarHBondContact O-N 2.93Å
34	T	49.4	Very low	46.3	Very low	119 Å²	119	115.9 Å²	115.9	73%	0.73	68%	0.684	S	S	*	*	G	3₁₀ helix	trans	-77.6	-4.9	171.9	38.3	0	0	0	0	114.2	G31 L32	G31-T34 PolarHBondContact O-N 2.92Å; G31-T34 PolarHBondContact O-OG1 2.96Å; L32-T34 VanDerWaalsContact C-N 3.28Å; L32-T34 PolarHBondContact O-N 3.31Å
35	L	49.8	Very low	47.7	Very low	138 Å²	138	119.8 Å²	119.8	72%	0.723	70%	0.699	S	S	*	*	G	3₁₀ helix	trans	-99.2	-3.7	172	-75.2	162.4	0	0	0	112.7	L32 N33	L32-L35 HydrophobicContact CD2-CD1 4.36Å; L32-L35 WeakPolarHBondContact O-CB 3.32Å; L32-L35 PolarHBondContact O-N 3.49Å; N33-L35 VanDerWaalsContact C-N 3.25Å; N33-L35 PolarHBondContact O-N 2.77Å
36	I	55.7	Low	49.3	Very low	114 Å²	114	118.4 Å²	118.4	59%	0.585	69%	0.692	S	S	*	*			trans	-111.6	57.3	-179.4	-51.7	165.9	0	0	0	109.4	L32 N33 G38	L32-I36 WeakPolarHBondContact O-CG1 3.42Å; L32-I36 PolarHBondContact O-N 3.02Å; N33-I36 PolarHBondContact O-N 2.93Å; I36-G38 PolarHBondContact O-N 2.88Å
37	E	46.9	Very low	50.7	Low	191 Å²	191	118.4 Å²	118.4	89%	0.893	70%	0.698	S	S	*	*			trans	-76.8	66.5	159.7	-74.5	-162.5	156.2	0	0	110.1	G39	E37-G39 PolarHBondContact O-N 2.69Å
38	G	49.7	Very low	52.5	Low	57 Å²	57	121.2 Å²	121.2	59%	0.588	71%	0.708	S	S	*	*			trans	-76.2	98.5	169.4	0	0	0	0	0	110	I36 N40	I36-G38 PolarHBondContact O-N 2.88Å; G38-N40 PolarHBondContact O-N 3.13Å
39	G	49.7	Very low	54.5	Low	82 Å²	82	118.1 Å²	118.1	85%	0.845	71%	0.705	S	S	*	*			trans	-66	30.8	-176.1	0	0	0	0	0	117.5	E37	E37-G39 PolarHBondContact O-N 2.69Å
40	N	51.8	Low	56.3	Low	131 Å²	131	117.3 Å²	117.3	70%	0.701	71%	0.706	S	S	*	*	S	Bend	trans	-120.4	122.3	172.4	-74.1	-37.8	0	0	0	108.8	G38 F42	G38-N40 PolarHBondContact O-N 3.13Å; N40-F42 HydrophobicContact CB-CD2 4.43Å; N40-F42 PolarHBondContact O-N 3.24Å
41	G	53.3	Low	58.1	Low	94 Å²	94	117.4 Å²	117.4	97%	0.969	71%	0.707	S	S	*	*			trans	-69.1	56.7	-166.1	0	0	0	0	0	117.2
42	F	48.8	Very low	60	Low	187 Å²	187	120.9 Å²	120.9	82%	0.82	73%	0.726	S	S	*	*			trans	-90.7	130.1	164.5	-72.2	-84.1	0	0	0	109.3	N40 C44	N40-F42 HydrophobicContact CB-CD2 4.43Å; N40-F42 PolarHBondContact O-N 3.24Å; F42-C44 PolarHBondContact O-N 3.21Å; F42-C44 VanDerWaalsContact O-N 3.13Å
43	S	52.8	Low	61.8	Low	104 Å²	104	118.9 Å²	118.9	73%	0.727	72%	0.718	S	S	*	*			trans	-62.8	114.4	168.4	53.9	0	0	0	0	109	I45	S43-I45 PolarHBondContact O-N 2.76Å
44	C	54.9	Low	63.8	Low	106 Å²	106	121 Å²	121	72%	0.716	72%	0.72	S	S	*	*			trans	-65.3	107.5	177.8	-170.3	0	0	0	0	110	F42	F42-C44 PolarHBondContact O-N 3.21Å; F42-C44 VanDerWaalsContact O-N 3.13Å
45	I	60.1	Low	65.4	Low	144 Å²	144	118 Å²	118	74%	0.738	71%	0.707	S	S	*	*			trans	-94.5	91.8	169.2	-55.4	175.9	0	0	0	106.8	S43	S43-I45 PolarHBondContact O-N 2.76Å
46	S	66	Low	67.2	Low	92 Å²	92	114.8 Å²	114.8	64%	0.643	69%	0.694	S	S	*	*			trans	-79.7	117.9	173.7	55.9	0	0	0	0	110.1
47	T	67.6	Low	68.7	Low	119 Å²	119	113.6 Å²	113.6	73%	0.73	69%	0.689	S	S	*	*			trans	-106	120.7	170.2	-52.7	0	0	0	0	108.9
48	E	74.8	Confident	70.7	Confident	176 Å²	176	108.5 Å²	108.5	82%	0.822	67%	0.668	S	S	*	*			trans	-74.7	138.1	174.1	-168.8	171.4	-168.5	0	0	110.5
49	V	82	Confident	72.7	Confident	133 Å²	133	108.6 Å²	108.6	81%	0.806	65%	0.654	S	S	*	*			trans	-131.2	128.1	-179.5	-176.6	0	0	0	0	108.4
50	T	81.5	Confident	74.6	Confident	121 Å²	121	110.3 Å²	110.3	74%	0.742	64%	0.64	S	S	*	*			trans	-114.6	133.4	-174.4	53.1	0	0	0	0	111.7
51	D	84.1	Confident	76.4	Confident	104 Å²	104	105.4 Å²	105.4	56%	0.556	62%	0.62	S	S	*	*			trans	-94.3	112.3	167	179.3	-2	0	0	0	109.1	V53 Y54	D51-V53 VanDerWaalsContact C-N 3.26Å; D51-V53 PolarHBondContact O-N 3.1Å; D51-V53 PolarHBondContact OD1-N 2.85Å; D51-Y54 PolarHBondContact OD1-N 3.1Å
52	S	83.8	Confident	78.2	Confident	107 Å²	107	103 Å²	103	75%	0.748	59%	0.585	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.6	-13.5	-179.6	55.7	0	0	0	0	114.2
53	V	87.8	Confident	80.2	Confident	74 Å²	74	95.8 Å²	95.8	45%	0.448	56%	0.555	S	S	.	*	T	Hydrogen-bonded Turn	trans	-99.2	-18.7	-177.4	-159.2	0	0	0	0	111.8	D51 A55 P56 N57	D51-V53 VanDerWaalsContact C-N 3.26Å; D51-V53 PolarHBondContact O-N 3.1Å; D51-V53 PolarHBondContact OD1-N 2.85Å; V53-A55 PolarHBondContact O-N 2.98Å; V53-P56 VanDerWaalsContact O-CD 3.32Å; V53-P56 WeakPolarHBondContact O-CD 3.49Å; V53-N57 WeakPolarHBondContact O-CB 3.43Å; V53-N57 VanDerWaalsContact O-CG 3.24Å; V53-N57 PolarHBondContact O-N 3.3Å
54	Y	88.8	Confident	82.1	Confident	148 Å²	148	94.2 Å²	94.2	58%	0.58	54%	0.538	S	S	*	.	H	α-helix	trans	-54.3	-49.5	179.2	178.7	-98.9	0	0	0	113.5	D51 N57 L58	D51-Y54 PolarHBondContact OD1-N 3.1Å; Y54-N57 PolarHBondContact O-N 3.17Å; Y54-L58 HydrophobicContact CE1-CD2 4.2Å; Y54-L58 WeakPolarHBondContact O-CB 3.4Å; Y54-L58 PolarHBondContact O-N 3.4Å
55	A	84.3	Confident	83.9	Confident	56 Å²	56	92.6 Å²	92.6	46%	0.463	52%	0.521	S	S	.	.	H	α-helix	trans	-66.8	-45.1	-177.4	0	0	0	0	0	113.5	V53 N57 L58 L59	V53-A55 PolarHBondContact O-N 2.98Å; A55-N57 PolarHBondContact O-N 3.05Å; A55-L58 PolarHBondContact O-N 3.47Å; A55-L59 WeakPolarHBondContact O-CG 3.28Å; A55-L59 PolarHBondContact O-N 3.32Å; A55-L59 VanDerWaalsContact O-N 3.13Å
56	P	85.9	Confident	85.4	Confident	70 Å²	70	88.1 Å²	88.1	46%	0.455	50%	0.495	S	S	.	.	H	α-helix	trans	-53.4	-47.9	167.7	-29.4	34.7	0	0	0	114	V53 L58 L59 E60	V53-P56 VanDerWaalsContact O-CD 3.32Å; V53-P56 WeakPolarHBondContact O-CD 3.49Å; P56-L58 VanDerWaalsContact C-N 3.34Å; P56-L58 PolarHBondContact O-N 3.16Å; P56-L59 PolarHBondContact O-N 2.95Å; P56-E60 PolarHBondContact O-N 2.82Å
57	N	87.9	Confident	86.6	Confident	90 Å²	90	89.7 Å²	89.7	48%	0.481	49%	0.492	S	S	.	.	H	α-helix	trans	-65.1	-36.8	-178.4	-69.2	-7.9	0	0	0	112.3	V53 Y54 A55 E60 G61	V53-N57 WeakPolarHBondContact O-CB 3.43Å; V53-N57 VanDerWaalsContact O-CG 3.24Å; V53-N57 PolarHBondContact O-N 3.3Å; Y54-N57 PolarHBondContact O-N 3.17Å; A55-N57 PolarHBondContact O-N 3.05Å; N57-E60 PolarHBondContact O-N 3.28Å; N57-G61 PolarHBondContact O-N 2.94Å
58	L	90.1	Very high	87.8	Confident	84 Å²	84	91.1 Å²	91.1	44%	0.44	49%	0.491	S	S	.	.	H	α-helix	trans	-64.2	-44.4	175.3	178	61.9	0	0	0	111.7	Y54 A55 P56 G61 L62	Y54-L58 HydrophobicContact CE1-CD2 4.2Å; Y54-L58 WeakPolarHBondContact O-CB 3.4Å; Y54-L58 PolarHBondContact O-N 3.4Å; A55-L58 PolarHBondContact O-N 3.47Å; P56-L58 VanDerWaalsContact C-N 3.34Å; P56-L58 PolarHBondContact O-N 3.16Å; L58-G61 PolarHBondContact O-N 3.37Å; L58-L62 HydrophobicContact CD1-CD1 4.44Å; L58-L62 HydrophobicContact CG-CD1 4.25Å; L58-L62 WeakPolarHBondContact O-CG 3.25Å; L58-L62 PolarHBondContact O-N 2.95Å
59	L	89.9	Confident	88.5	Confident	59 Å²	59	86.1 Å²	86.1	31%	0.309	48%	0.475	S	S	.	.	H	α-helix	trans	-64.2	-42.2	176.6	-72.8	173.4	0	0	0	111.8	A55 P56 L62 N63 Y128	A55-L59 WeakPolarHBondContact O-CG 3.28Å; A55-L59 PolarHBondContact O-N 3.32Å; A55-L59 VanDerWaalsContact O-N 3.13Å; P56-L59 PolarHBondContact O-N 2.95Å; L59-L62 PolarHBondContact O-N 2.87Å; L59-N63 WeakPolarHBondContact O-CB 3.47Å; L59-N63 PolarHBondContact O-N 3.44Å; L59-Y128 CarbonylContact C-O 3.46Å
60	E	89.4	Confident	88.9	Confident	118 Å²	118	85 Å²	85	55%	0.551	46%	0.46	S	S	*	.	H	α-helix	trans	-60.7	-45.4	174.6	-173.8	170.2	-179.5	0	0	111.9	P56 N57 L62 N63 N64	P56-E60 PolarHBondContact O-N 2.82Å; N57-E60 PolarHBondContact O-N 3.28Å; E60-L62 PolarHBondContact O-N 2.97Å; E60-N63 PolarHBondContact O-N 3.27Å; E60-N64 VanDerWaalsContact O-CG 3.28Å; E60-N64 PolarHBondContact O-N 3.34Å; E60-N64 PolarHBondContact O-ND2 3.3Å
61	G	89.7	Confident	89.3	Confident	27 Å²	27	85.1 Å²	85.1	28%	0.278	46%	0.455	S	S	.	.	H	α-helix	trans	-57.8	-45.8	173.8	0	0	0	0	0	113	N57 L58 N63 N64 M65	N57-G61 PolarHBondContact O-N 2.94Å; L58-G61 PolarHBondContact O-N 3.37Å; G61-N63 VanDerWaalsContact C-N 3.33Å; G61-N63 PolarHBondContact O-N 3.33Å; G61-N64 PolarHBondContact O-N 2.81Å; G61-M65 WeakPolarHBondContact O-CG 3.49Å; G61-M65 PolarHBondContact O-N 3.11Å
62	L	91.8	Very high	89.7	Confident	44 Å²	44	81.7 Å²	81.7	23%	0.23	44%	0.439	C	S	.	.	H	α-helix	trans	-63.2	-37.1	176	-71.6	167.8	0	0	0	112.4	L58 L59 E60 R66 H86 V89 Y128	L58-L62 HydrophobicContact CD1-CD1 4.44Å; L58-L62 HydrophobicContact CG-CD1 4.25Å; L58-L62 WeakPolarHBondContact O-CG 3.25Å; L58-L62 PolarHBondContact O-N 2.95Å; L59-L62 PolarHBondContact O-N 2.87Å; E60-L62 PolarHBondContact O-N 2.97Å; L62-R66 PolarHBondContact O-N 2.9Å; L62-H86 PolarHBondContact O-CE1 3.36Å; L62-V89 HydrophobicContact CD1-CG2 4.17Å; L62-Y128 HydrophobicContact CB-CD1 4.15Å; L62-Y128 HydrophobicContact CB-CE1 4.15Å; L62-Y128 WeakPolarHBondContact O-CE1 3.37Å
63	N	91.5	Very high	90.1	Very high	35 Å²	35	80.2 Å²	80.2	19%	0.187	42%	0.423	C	S	.	.	H	α-helix	trans	-71.2	-33.1	177.2	-172.8	46.4	0	0	0	112.7	L59 E60 G61 R66 Q67 Y128	L59-N63 WeakPolarHBondContact O-CB 3.47Å; L59-N63 PolarHBondContact O-N 3.44Å; E60-N63 PolarHBondContact O-N 3.27Å; G61-N63 VanDerWaalsContact C-N 3.33Å; G61-N63 PolarHBondContact O-N 3.33Å; N63-R66 PolarHBondContact O-N 2.81Å; N63-R66 PolarHBondContact OD1-NE 3.24Å; N63-R66 PolarHBondContact OD1-NH2 3.27Å; N63-Q67 PolarHBondContact ND2-NE2 2.82Å; N63-Q67 VanDerWaalsContact ND2-NE2 3.17Å; N63-Q67 WeakPolarHBondContact O-CG 3.42Å; N63-Q67 PolarHBondContact O-N 3.23Å; N63-Q67 VanDerWaalsContact O-N 3.13Å; N63-Q67 PolarHBondContact O-NE2 3.09Å; N63-Y128 HydrophobicContact CB-CD1 4.11Å
64	N	91.9	Very high	90.3	Very high	71 Å²	71	76.8 Å²	76.8	38%	0.38	40%	0.402	S	S	.	.	H	α-helix	trans	-68.6	-46.9	174.4	-67.4	-15.4	0	0	0	110.5	E60 G61 R66 Q67 E68	E60-N64 VanDerWaalsContact O-CG 3.28Å; E60-N64 PolarHBondContact O-N 3.34Å; E60-N64 PolarHBondContact O-ND2 3.3Å; G61-N64 PolarHBondContact O-N 2.81Å; N64-R66 VanDerWaalsContact C-N 3.25Å; N64-R66 PolarHBondContact O-N 3.44Å; N64-Q67 PolarHBondContact O-N 1.97Å; N64-E68 PolarHBondContact O-N 2.73Å; N64-E68 VanDerWaalsContact O-N 3.08Å
65	M	92.3	Very high	90.5	Very high	73 Å²	73	71.7 Å²	71.7	36%	0.36	39%	0.386	S	S	.	.	H	α-helix	trans	-56	-40.1	173.2	-67.3	177.1	-170.8	0	0	112.1	G61 E68 S69 F70 H86	G61-M65 WeakPolarHBondContact O-CG 3.49Å; G61-M65 PolarHBondContact O-N 3.11Å; M65-E68 PolarHBondContact O-N 3.16Å; M65-S69 PolarHBondContact O-N 3.09Å; M65-F70 HydrophobicContact CB-CB 4.36Å; M65-F70 HydrophobicContact CB-CD1 4.32Å; M65-F70 HydrophobicContact CG-CD1 4.02Å; M65-F70 PolarHBondContact O-N 3.39Å; M65-F70 HydrophobicContact SD-CD1 4.28Å; M65-H86 WeakPolarHBondContact CB-CE1 3.14Å
66	R	93.2	Very high	90.9	Very high	50 Å²	50	69 Å²	69	19%	0.189	36%	0.364	C	S	.	.	H	α-helix	trans	-62.7	-40.8	175.2	-173.2	-170.2	62.4	83.2	2.5	112.7	L62 N63 N64 E68 S69 D84 H86 Y128	L62-R66 PolarHBondContact O-N 2.9Å; N63-R66 PolarHBondContact O-N 2.81Å; N63-R66 PolarHBondContact OD1-NE 3.24Å; N63-R66 PolarHBondContact OD1-NH2 3.27Å; N64-R66 VanDerWaalsContact C-N 3.25Å; N64-R66 PolarHBondContact O-N 3.44Å; R66-E68 VanDerWaalsContact C-N 3.3Å; R66-E68 PolarHBondContact O-N 3.1Å; R66-S69 PolarHBondContact O-N 2.73Å; R66-S69 VanDerWaalsContact O-N 3.1Å; R66-D84 VanDerWaalsContact CG-O 3.28Å; R66-D84 WeakPolarHBondContact CG-O 3.45Å; R66-H86 WeakPolarHBondContact CA-CE1 3.23Å; R66-H86 VanDerWaalsContact CB-CE1 3.48Å; R66-H86 WeakPolarHBondContact CB-CE1 3.35Å; R66-H86 PolarHBondContact N-CE1 3.43Å; R66-Y128 HydrophobicContact CB-CD1 4.46Å; R66-Y128 HydrophobicContact CB-CE1 3.94Å; R66-Y128 HydrophobicContact CG-CE1 4.39Å
67	Q	90.5	Very high	91.1	Very high	125 Å²	125	66.1 Å²	66.1	58%	0.584	35%	0.345	S	S	*	.	H	α-helix	trans	-67.3	-31.7	178.2	-73.8	170.9	66.5	0	0	112.5	N63 N64 S69	N63-Q67 PolarHBondContact ND2-NE2 2.82Å; N63-Q67 VanDerWaalsContact ND2-NE2 3.17Å; N63-Q67 WeakPolarHBondContact O-CG 3.42Å; N63-Q67 PolarHBondContact O-N 3.23Å; N63-Q67 VanDerWaalsContact O-N 3.13Å; N63-Q67 PolarHBondContact O-NE2 3.09Å; N64-Q67 PolarHBondContact O-N 1.97Å; Q67-S69 PolarHBondContact O-N 3.36Å
68	E	91.7	Very high	91.2	Very high	148 Å²	148	62.3 Å²	62.3	69%	0.692	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.1	0.8	172.8	-65	175.9	177	0	0	113.1	N64 M65 R66 F70	N64-E68 PolarHBondContact O-N 2.73Å; N64-E68 VanDerWaalsContact O-N 3.08Å; M65-E68 PolarHBondContact O-N 3.16Å; R66-E68 VanDerWaalsContact C-N 3.3Å; R66-E68 PolarHBondContact O-N 3.1Å; E68-F70 HydrophobicContact CB-CB 4.19Å; E68-F70 PolarHBondContact O-N 3.02Å; E68-F70 VanDerWaalsContact O-N 3.09Å
69	S	89.7	Confident	90.9	Very high	71 Å²	71	65.7 Å²	65.7	50%	0.497	34%	0.336	S	S	.	.	T	Hydrogen-bonded Turn	trans	53.4	21.2	-168.5	-59.5	0	0	0	0	113.7	M65 R66 Q67	M65-S69 PolarHBondContact O-N 3.09Å; R66-S69 PolarHBondContact O-N 2.73Å; R66-S69 VanDerWaalsContact O-N 3.1Å; Q67-S69 PolarHBondContact O-N 3.36Å
70	F	90.5	Very high	90.8	Very high	110 Å²	110	67.3 Å²	67.3	48%	0.482	35%	0.353	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.8	124.3	-176.8	-174.7	-108.8	0	0	0	110.8	M65 E68 C72 H86	M65-F70 HydrophobicContact CB-CB 4.36Å; M65-F70 HydrophobicContact CB-CD1 4.32Å; M65-F70 HydrophobicContact CG-CD1 4.02Å; M65-F70 PolarHBondContact O-N 3.39Å; M65-F70 HydrophobicContact SD-CD1 4.28Å; E68-F70 HydrophobicContact CB-CB 4.19Å; E68-F70 PolarHBondContact O-N 3.02Å; E68-F70 VanDerWaalsContact O-N 3.09Å; F70-C72 PolarHBondContact O-N 3.44Å; F70-C72 VanDerWaalsContact O-N 3.09Å; F70-H86 PolarHBondContact O-NE2 2.95Å
71	L	91	Very high	90.9	Very high	123 Å²	123	64 Å²	64	64%	0.644	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.3	12.7	-177	-58.2	174.4	0	0	0	115.7	D73 H86	L71-D73 PolarHBondContact O-N 3.21Å; L71-H86 PolarHBondContact O-CD2 3.48Å; L71-H86 VanDerWaalsContact O-CD2 3.27Å
72	C	91.3	Very high	91	Very high	33 Å²	33	66.8 Å²	66.8	22%	0.223	35%	0.352	C	S	.	.			trans	-62.7	119.7	173	-68.3	0	0	0	0	110	F70 D84 H86	F70-C72 PolarHBondContact O-N 3.44Å; F70-C72 VanDerWaalsContact O-N 3.09Å; C72-D84 HydrophobicContact CB-CB 3.94Å; C72-H86 PolarHBondContact N-NE2 3.43Å
73	D	92.7	Very high	91.1	Very high	76 Å²	76	66.6 Å²	66.6	41%	0.406	35%	0.35	S	S	.	.			trans	-117.1	5.4	-171.7	66.3	-29.6	0	0	0	113.1	L71 V85 H86 K87	L71-D73 PolarHBondContact O-N 3.21Å; D73-V85 PolarHBondContact N-O 2.75Å; D73-H86 VanDerWaalsContact OD1-CA 3.28Å; D73-H86 WeakPolarHBondContact OD1-CA 3.24Å; D73-K87 VanDerWaalsContact O-CE 3.23Å; D73-K87 WeakPolarHBondContact O-CE 3.28Å; D73-K87 PolarHBondContact OD1-N 2.7Å; D73-K87 WeakPolarHBondContact OD2-CB 2.96Å; D73-K87 WeakPolarHBondContact OD2-CD 3.3Å; D73-K87 WeakPolarHBondContact OD2-CG 3.17Å
74	L	92.8	Very high	91.2	Very high	1 Å²	1	67.9 Å²	67.9	1%	0.005	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143	130.1	173.9	173.1	67.4	0	0	0	110.9	V76 V85 K87 I97 L101 I110	L74-V76 HydrophobicContact CD2-CG2 3.93Å; L74-V76 HydrophobicContact CG-CG2 3.97Å; L74-V85 HydrophobicContact CB-CG2 4.12Å; L74-V85 HydrophobicContact CD2-CG2 4.02Å; L74-V85 HydrophobicContact CG-CG2 4.01Å; L74-V85 PolarHBondContact N-O 3.07Å; L74-V85 VanDerWaalsContact N-O 3.13Å; L74-V85 VanDerWaalsContact O-CG2 3.24Å; L74-V85 WeakPolarHBondContact O-CG2 3.43Å; L74-V85 PolarHBondContact O-N 3.15Å; L74-K87 HydrophobicContact CB-CG 3.65Å; L74-K87 HydrophobicContact CD2-CG 4.35Å; L74-I97 HydrophobicContact CD2-CG2 4.4Å; L74-L101 HydrophobicContact CD2-CD1 4.42Å; L74-I110 HydrophobicContact CD1-CB 4.47Å; L74-I110 HydrophobicContact CD1-CD1 3.89Å; L74-I110 HydrophobicContact CD1-CG1 3.9Å; L74-I110 HydrophobicContact CD2-CD1 4.21Å
75	T	92.5	Very high	91.3	Very high	41 Å²	41	64.5 Å²	64.5	25%	0.252	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	119.7	171.1	-59.2	0	0	0	0	109.8	T77 T82 D84 Q108 K109 I110	T75-T77 HydrophobicContact CG2-CG2 4.39Å; T75-T82 HydrophobicContact CG2-CG2 3.2Å; T75-D84 WeakPolarHBondContact CB-OD1 3.44Å; T75-D84 WeakPolarHBondContact CG2-OD1 3.5Å; T75-D84 PolarHBondContact OG1-OD1 3.34Å; T75-Q108 PolarHBondContact N-O 3.03Å; T75-K109 VanDerWaalsContact O-CA 3.28Å; T75-K109 WeakPolarHBondContact O-CA 3.47Å; T75-I110 PolarHBondContact O-N 3.45Å
76	V	91.7	Very high	91.4	Very high	0 Å²	0	61.5 Å²	61.5	0%	0	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	122.5	177.2	-171.9	0	0	0	0	109.7	L74 F83 V85 I110 L112 L120	L74-V76 HydrophobicContact CD2-CG2 3.93Å; L74-V76 HydrophobicContact CG-CG2 3.97Å; V76-F83 PolarHBondContact N-O 3.15Å; V76-F83 PolarHBondContact O-N 3Å; V76-V85 HydrophobicContact CG2-CG2 3.72Å; V76-I110 WeakPolarHBondContact CA-O 3.35Å; V76-L112 HydrophobicContact CG1-CD1 3.56Å; V76-L112 HydrophobicContact CG1-CG 3.9Å; V76-L120 HydrophobicContact CB-CD2 4.49Å; V76-L120 HydrophobicContact CG1-CD1 4.37Å; V76-L120 HydrophobicContact CG1-CD2 3.76Å
77	T	90.4	Very high	91.4	Very high	10 Å²	10	60.8 Å²	60.8	6%	0.061	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	138	-173.3	30.8	0	0	0	0	112.1	T75 T82 K109 I110 D111 L112	T75-T77 HydrophobicContact CG2-CG2 4.39Å; T77-T82 HydrophobicContact CG2-CG2 3.75Å; T77-T82 WeakPolarHBondContact CG2-OG1 3.37Å; T77-K109 VanDerWaalsContact OG1-CE 3.25Å; T77-K109 WeakPolarHBondContact OG1-CE 3.48Å; T77-K109 PolarHBondContact OG1-NZ 3.38Å; T77-I110 PolarHBondContact N-O 2.9Å; T77-I110 PolarHBondContact OG1-O 3.27Å; T77-D111 WeakPolarHBondContact CB-OD1 3.27Å; T77-D111 VanDerWaalsContact OG1-CG 3.28Å; T77-D111 PolarHBondContact OG1-OD1 2.91Å; T77-L112 PolarHBondContact O-N 3.07Å
78	T	90.4	Very high	91.4	Very high	10 Å²	10	60 Å²	60	6%	0.061	33%	0.325	C	S	.	.			trans	-104.8	-179.9	162.2	68.1	0	0	0	0	109.3	S80 T81 F83 L120	T78-S80 PolarHBondContact O-N 3.43Å; T78-S80 VanDerWaalsContact O-N 3.1Å; T78-S80 PolarHBondContact OG1-N 3.48Å; T78-T81 PolarHBondContact N-O 3Å; T78-T81 PolarHBondContact OG1-N 3.42Å; T78-T81 PolarHBondContact OG1-O 2.62Å; T78-T81 PolarHBondContact OG1-OG1 2.92Å; T78-F83 HydrophobicContact CG2-CE2 4.44Å; T78-L120 HydrophobicContact CG2-CB 4.35Å; T78-L120 HydrophobicContact CG2-CD2 3.56Å
79	K	84.7	Confident	91.5	Very high	155 Å²	155	53.3 Å²	53.3	67%	0.674	29%	0.294	S	S	*	.	S	Bend	trans	-58	-21.3	175.5	-72.9	175.6	173.1	125	0	114.6	N113 D114	K79-N113 VanDerWaalsContact CD-O 3.32Å; K79-N113 WeakPolarHBondContact CD-O 3.32Å; K79-N113 WeakPolarHBondContact CE-O 3.33Å; K79-N113 HydrophobicContact CG-CB 3.96Å; K79-N113 WeakPolarHBondContact CG-O 3.23Å; K79-N113 PolarHBondContact NZ-O 3.44Å; K79-D114 IonicContact NZ-OD1 2.69Å
80	S	86.1	Confident	91.6	Very high	93 Å²	93	50 Å²	50	65%	0.65	27%	0.271	S	S	*	.	S	Bend	trans	-135.1	-17.3	-173.7	56.1	0	0	0	0	115.8	T78 P117	T78-S80 PolarHBondContact O-N 3.43Å; T78-S80 VanDerWaalsContact O-N 3.1Å; T78-S80 PolarHBondContact OG1-N 3.48Å; S80-P117 VanDerWaalsContact OG-CG 3.23Å; S80-P117 WeakPolarHBondContact OG-CG 3.34Å
81	T	91.8	Very high	91.7	Very high	47 Å²	47	46.2 Å²	46.2	29%	0.288	26%	0.257	S	S	.	.			trans	-136.4	150.4	179.2	67.8	0	0	0	0	112.6	T78 F83 P117	T78-T81 PolarHBondContact N-O 3Å; T78-T81 PolarHBondContact OG1-N 3.42Å; T78-T81 PolarHBondContact OG1-O 2.62Å; T78-T81 PolarHBondContact OG1-OG1 2.92Å; T81-F83 WeakPolarHBondContact OG1-CE2 3.41Å; T81-F83 VanDerWaalsContact OG1-CZ 3.3Å; T81-F83 WeakPolarHBondContact OG1-CZ 3.18Å; T81-P117 HydrophobicContact CG2-CB 3.85Å; T81-P117 HydrophobicContact CG2-CG 3.93Å; T81-P117 WeakPolarHBondContact OG1-CB 3.46Å
82	T	92.2	Very high	91.7	Very high	86 Å²	86	44.1 Å²	44.1	53%	0.528	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	140	179.6	-55.9	0	0	0	0	109.2	T75 T77	T75-T82 HydrophobicContact CG2-CG2 3.2Å; T77-T82 HydrophobicContact CG2-CG2 3.75Å; T77-T82 WeakPolarHBondContact CG2-OG1 3.37Å
83	F	93.5	Very high	91.7	Very high	41 Å²	41	44 Å²	44	18%	0.18	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	121.3	178	-57.1	-83.4	0	0	0	110.8	V76 T78 T81 L120 A121 I124	V76-F83 PolarHBondContact N-O 3.15Å; V76-F83 PolarHBondContact O-N 3Å; T78-F83 HydrophobicContact CG2-CE2 4.44Å; T81-F83 WeakPolarHBondContact OG1-CE2 3.41Å; T81-F83 VanDerWaalsContact OG1-CZ 3.3Å; T81-F83 WeakPolarHBondContact OG1-CZ 3.18Å; F83-L120 HydrophobicContact CD2-CD2 3.65Å; F83-L120 HydrophobicContact CD2-CG 4.17Å; F83-L120 HydrophobicContact CE2-CB 4.39Å; F83-L120 HydrophobicContact CE2-CD2 3.84Å; F83-L120 HydrophobicContact CE2-CG 4.19Å; F83-A121 HydrophobicContact CE1-CB 3.98Å; F83-A121 HydrophobicContact CZ-CB 3.94Å; F83-I124 HydrophobicContact CB-CD1 3.66Å; F83-I124 HydrophobicContact CD1-CD1 4.3Å; F83-I124 HydrophobicContact CD2-CD1 4.15Å; F83-I124 HydrophobicContact CG-CD1 3.8Å
84	D	93.9	Very high	91.8	Very high	61 Å²	61	40.3 Å²	40.3	33%	0.326	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	133.5	171.6	-60.1	-49.1	0	0	0	110.2	R66 C72 T75	R66-D84 VanDerWaalsContact CG-O 3.28Å; R66-D84 WeakPolarHBondContact CG-O 3.45Å; C72-D84 HydrophobicContact CB-CB 3.94Å; T75-D84 WeakPolarHBondContact CB-OD1 3.44Å; T75-D84 WeakPolarHBondContact CG2-OD1 3.5Å; T75-D84 PolarHBondContact OG1-OD1 3.34Å
85	V	94.9	Very high	91.8	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.5	166.7	-172.1	-66.6	0	0	0	0	110.9	D73 L74 V76 M90 I124 Y128	D73-V85 PolarHBondContact N-O 2.75Å; L74-V85 HydrophobicContact CB-CG2 4.12Å; L74-V85 HydrophobicContact CD2-CG2 4.02Å; L74-V85 HydrophobicContact CG-CG2 4.01Å; L74-V85 PolarHBondContact N-O 3.07Å; L74-V85 VanDerWaalsContact N-O 3.13Å; L74-V85 VanDerWaalsContact O-CG2 3.24Å; L74-V85 WeakPolarHBondContact O-CG2 3.43Å; L74-V85 PolarHBondContact O-N 3.15Å; V76-V85 HydrophobicContact CG2-CG2 3.72Å; V85-M90 HydrophobicContact CB-CG 3.9Å; V85-M90 HydrophobicContact CB-SD 4.43Å; V85-M90 HydrophobicContact CG1-CG 4.4Å; V85-M90 HydrophobicContact CG1-SD 4.33Å; V85-M90 HydrophobicContact CG2-CG 3.72Å; V85-I124 HydrophobicContact CG1-CD1 3.97Å; V85-I124 HydrophobicContact CG1-CG1 4.22Å; V85-I124 HydrophobicContact CG1-CG2 3.91Å; V85-Y128 HydrophobicContact CG1-CE2 4.35Å
86	H	94.6	Very high	91.8	Very high	11 Å²	11	45.1 Å²	45.1	5%	0.051	25%	0.249	C	C	.	.			trans	-93.7	126.9	174.1	-53.7	114.2	0	0	0	109.9	L62 M65 R66 F70 L71 C72 D73 V88 V89 M90 Y128	L62-H86 PolarHBondContact O-CE1 3.36Å; M65-H86 WeakPolarHBondContact CB-CE1 3.14Å; R66-H86 WeakPolarHBondContact CA-CE1 3.23Å; R66-H86 VanDerWaalsContact CB-CE1 3.48Å; R66-H86 WeakPolarHBondContact CB-CE1 3.35Å; R66-H86 PolarHBondContact N-CE1 3.43Å; F70-H86 PolarHBondContact O-NE2 2.95Å; L71-H86 PolarHBondContact O-CD2 3.48Å; L71-H86 VanDerWaalsContact O-CD2 3.27Å; C72-H86 PolarHBondContact N-NE2 3.43Å; D73-H86 VanDerWaalsContact OD1-CA 3.28Å; D73-H86 WeakPolarHBondContact OD1-CA 3.24Å; H86-V88 VanDerWaalsContact C-N 3.26Å; H86-V88 HydrophobicContact CB-CG1 4.28Å; H86-V88 PolarHBondContact O-N 2.77Å; H86-V89 HydrophobicContact CB-CB 4.3Å; H86-V89 HydrophobicContact CB-CG2 3.98Å; H86-V89 PolarHBondContact O-N 2.92Å; H86-V89 VanDerWaalsContact O-N 3.16Å; H86-M90 PolarHBondContact O-N 3.45Å; H86-M90 VanDerWaalsContact O-N 3.11Å; H86-Y128 VanDerWaalsContact CB-OH 3.3Å; H86-Y128 WeakPolarHBondContact CB-OH 3.39Å; H86-Y128 VanDerWaalsContact CG-OH 3.26Å; H86-Y128 PolarHBondContact N-OH 2.77Å; H86-Y128 AromaticContact ND1-CE1 3.45Å; H86-Y128 WeakPolarHBondContact ND1-CE1 3.43Å; H86-Y128 AromaticContact ND1-CZ 3.54Å; H86-Y128 PolarHBondContact ND1-OH 3.4Å
87	K	92.7	Very high	91.8	Very high	35 Å²	35	45.1 Å²	45.1	15%	0.152	25%	0.249	C	C	.	.	H	α-helix	trans	-50.2	-47.8	175.1	-73.9	-177.8	177	169.8	0	111	D73 L74 V89 M90 V91 L101 S105 L107	D73-K87 VanDerWaalsContact O-CE 3.23Å; D73-K87 WeakPolarHBondContact O-CE 3.28Å; D73-K87 PolarHBondContact OD1-N 2.7Å; D73-K87 WeakPolarHBondContact OD2-CB 2.96Å; D73-K87 WeakPolarHBondContact OD2-CD 3.3Å; D73-K87 WeakPolarHBondContact OD2-CG 3.17Å; L74-K87 HydrophobicContact CB-CG 3.65Å; L74-K87 HydrophobicContact CD2-CG 4.35Å; K87-V89 VanDerWaalsContact C-N 3.31Å; K87-V89 PolarHBondContact O-N 3.09Å; K87-M90 PolarHBondContact O-N 3.16Å; K87-V91 WeakPolarHBondContact O-CB 3.49Å; K87-V91 WeakPolarHBondContact O-CG2 3.32Å; K87-V91 PolarHBondContact O-N 3.46Å; K87-L101 HydrophobicContact CB-CD1 4.13Å; K87-L101 HydrophobicContact CD-CD1 4.16Å; K87-L101 HydrophobicContact CD-CD2 4.34Å; K87-L101 HydrophobicContact CG-CD1 3.88Å; K87-S105 PolarHBondContact NZ-O 2.87Å; K87-L107 WeakPolarHBondContact CE-O 3.45Å; K87-L107 PolarHBondContact NZ-O 3.18Å
88	V	91.3	Very high	91.9	Very high	108 Å²	108	48.4 Å²	48.4	66%	0.655	26%	0.26	S	S	*	.	H	α-helix	trans	-60.5	-39	-176.5	67.8	0	0	0	0	112.6	H86 S92	H86-V88 VanDerWaalsContact C-N 3.26Å; H86-V88 HydrophobicContact CB-CG1 4.28Å; H86-V88 PolarHBondContact O-N 2.77Å; V88-S92 WeakPolarHBondContact O-CB 3.44Å; V88-S92 PolarHBondContact O-N 2.7Å; V88-S92 VanDerWaalsContact O-N 3.09Å
89	V	92.5	Very high	92	Very high	8 Å²	8	50.7 Å²	50.7	5%	0.048	27%	0.272	C	S	.	.	H	α-helix	trans	-70.8	-48.8	178.7	180	0	0	0	0	110.2	L62 H86 K87 V91 S92 C93 A127 Y128	L62-V89 HydrophobicContact CD1-CG2 4.17Å; H86-V89 HydrophobicContact CB-CB 4.3Å; H86-V89 HydrophobicContact CB-CG2 3.98Å; H86-V89 PolarHBondContact O-N 2.92Å; H86-V89 VanDerWaalsContact O-N 3.16Å; K87-V89 VanDerWaalsContact C-N 3.31Å; K87-V89 PolarHBondContact O-N 3.09Å; V89-V91 PolarHBondContact O-N 3.49Å; V89-S92 PolarHBondContact O-N 2.85Å; V89-S92 VanDerWaalsContact O-N 3.16Å; V89-S92 PolarHBondContact O-OG 3.05Å; V89-C93 PolarHBondContact O-N 3.26Å; V89-A127 HydrophobicContact CG1-CB 4.11Å; V89-Y128 HydrophobicContact CB-CE1 4.23Å; V89-Y128 HydrophobicContact CB-CE2 4.06Å; V89-Y128 HydrophobicContact CG1-CD1 4.23Å; V89-Y128 HydrophobicContact CG1-CD2 3.85Å; V89-Y128 HydrophobicContact CG1-CE1 4.02Å; V89-Y128 HydrophobicContact CG1-CE2 3.58Å; V89-Y128 HydrophobicContact CG1-CG 4.18Å; V89-Y128 HydrophobicContact CG2-CE1 3.96Å
90	M	92.6	Very high	92.4	Very high	1 Å²	1	45.3 Å²	45.3	1%	0.005	25%	0.25	C	S	.	.	H	α-helix	trans	-67.4	-37.3	-178.8	-64.5	-52.4	-59.1	0	0	112.7	V85 H86 K87 S92 C93 S94 I97 I124 A127 Y128	V85-M90 HydrophobicContact CB-CG 3.9Å; V85-M90 HydrophobicContact CB-SD 4.43Å; V85-M90 HydrophobicContact CG1-CG 4.4Å; V85-M90 HydrophobicContact CG1-SD 4.33Å; V85-M90 HydrophobicContact CG2-CG 3.72Å; H86-M90 PolarHBondContact O-N 3.45Å; H86-M90 VanDerWaalsContact O-N 3.11Å; K87-M90 PolarHBondContact O-N 3.16Å; M90-S92 VanDerWaalsContact C-N 3.3Å; M90-S92 PolarHBondContact O-N 3.13Å; M90-C93 PolarHBondContact O-N 3.03Å; M90-C93 PolarHBondContact O-SG 3.33Å; M90-C93 VanDerWaalsContact O-SG 3.36Å; M90-S94 VanDerWaalsContact O-CB 3.29Å; M90-S94 WeakPolarHBondContact O-CB 3.43Å; M90-S94 PolarHBondContact O-N 3.48Å; M90-I97 HydrophobicContact CB-CD1 3.98Å; M90-I97 HydrophobicContact CB-CG2 4.14Å; M90-I97 HydrophobicContact CE-CD1 3.74Å; M90-I124 HydrophobicContact CE-CG1 4.12Å; M90-I124 HydrophobicContact SD-CG1 4.18Å; M90-A127 HydrophobicContact SD-CB 4.17Å; M90-Y128 HydrophobicContact SD-CE2 4.37Å
91	V	92.3	Very high	92.6	Very high	30 Å²	30	41.7 Å²	41.7	18%	0.182	22%	0.224	C	C	.	.	H	α-helix	trans	-67.2	-30.7	174	168.7	0	0	0	0	111.8	K87 V89 C93 I97 R98 L101	K87-V91 WeakPolarHBondContact O-CB 3.49Å; K87-V91 WeakPolarHBondContact O-CG2 3.32Å; K87-V91 PolarHBondContact O-N 3.46Å; V89-V91 PolarHBondContact O-N 3.49Å; V91-C93 VanDerWaalsContact C-N 3.35Å; V91-I97 HydrophobicContact CG2-CG2 4.05Å; V91-R98 HydrophobicContact CG1-CB 3.95Å; V91-R98 HydrophobicContact CG1-CG 3.82Å; V91-R98 PolarHBondContact O-NH1 3.22Å; V91-R98 PolarHBondContact O-NH2 3.03Å; V91-L101 HydrophobicContact CG2-CB 4.34Å; V91-L101 HydrophobicContact CG2-CD1 3.53Å
92	S	90.6	Very high	92.5	Very high	80 Å²	80	45.9 Å²	45.9	56%	0.559	24%	0.238	S	C	*	.	H	α-helix	trans	-66.7	-36.2	178.2	78.7	0	0	0	0	112.5	V88 V89 M90 R98	V88-S92 WeakPolarHBondContact O-CB 3.44Å; V88-S92 PolarHBondContact O-N 2.7Å; V88-S92 VanDerWaalsContact O-N 3.09Å; V89-S92 PolarHBondContact O-N 2.85Å; V89-S92 VanDerWaalsContact O-N 3.16Å; V89-S92 PolarHBondContact O-OG 3.05Å; M90-S92 VanDerWaalsContact C-N 3.3Å; M90-S92 PolarHBondContact O-N 3.13Å; S92-R98 PolarHBondContact O-NH2 3.4Å
93	C	91.3	Very high	92.4	Very high	29 Å²	29	50.8 Å²	50.8	20%	0.196	25%	0.252	C	S	.	.	H	α-helix	trans	-102.1	-26.8	-173.8	69.9	0	0	0	0	115.1	V89 M90 V91 A127	V89-C93 PolarHBondContact O-N 3.26Å; M90-C93 PolarHBondContact O-N 3.03Å; M90-C93 PolarHBondContact O-SG 3.33Å; M90-C93 VanDerWaalsContact O-SG 3.36Å; V91-C93 VanDerWaalsContact C-N 3.35Å; C93-A127 HydrophobicContact CB-CB 4.33Å; C93-A127 VanDerWaalsContact SG-CB 3.51Å
94	S	94.7	Very high	92.1	Very high	0 Å²	0	51.9 Å²	51.9	0%	0	26%	0.26	C	S	.	.			trans	-113.3	112.4	-176	173.1	0	0	0	0	111.6	M90 Y96 I97 R98 L149	M90-S94 VanDerWaalsContact O-CB 3.29Å; M90-S94 WeakPolarHBondContact O-CB 3.43Å; M90-S94 PolarHBondContact O-N 3.48Å; S94-Y96 VanDerWaalsContact C-N 3.27Å; S94-Y96 PolarHBondContact O-N 3.04Å; S94-I97 PolarHBondContact O-N 2.91Å; S94-I97 PolarHBondContact OG-N 3.14Å; S94-I97 VanDerWaalsContact OG-N 3.17Å; S94-R98 WeakPolarHBondContact O-CB 3.09Å; S94-R98 PolarHBondContact O-N 2.91Å; S94-L149 WeakPolarHBondContact CA-O 3.38Å; S94-L149 WeakPolarHBondContact CB-O 3.39Å; S94-L149 PolarHBondContact OG-O 3.06Å
95	E	93.5	Very high	91.8	Very high	67 Å²	67	53.4 Å²	53.4	31%	0.313	28%	0.275	S	S	.	.	H	α-helix	trans	-69.7	-27.1	176.1	-167.8	54.3	-147.4	0	0	111.9	R98 N99 K102 Q150	E95-R98 WeakPolarHBondContact OE1-CD 3.41Å; E95-R98 WeakPolarHBondContact OE2-CD 3.3Å; E95-R98 IonicContact OE2-CZ 3.99Å; E95-R98 IonicContact OE2-NE 3.77Å; E95-R98 PolarHBondContact OE2-NE 3.34Å; E95-N99 WeakPolarHBondContact O-CB 3.23Å; E95-N99 VanDerWaalsContact O-CG 3.27Å; E95-N99 PolarHBondContact O-N 3.45Å; E95-N99 PolarHBondContact O-ND2 2.77Å; E95-N99 PolarHBondContact OE1-ND2 2.73Å; E95-N99 VanDerWaalsContact OE1-ND2 3.1Å; E95-N99 PolarHBondContact OE1-OD1 3.01Å; E95-K102 IonicContact OE1-NZ 2.79Å; E95-K102 PolarHBondContact OE1-NZ 3.09Å; E95-Q150 HydrophobicContact CB-CB 4.1Å
96	Y	93.1	Very high	91.4	Very high	76 Å²	76	57.5 Å²	57.5	30%	0.298	30%	0.303	S	S	.	.	H	α-helix	trans	-61.9	-52.7	171.5	-179.4	-100.1	0	0	0	111.8	S94 R98 N99 I100 L112 L148 L149	S94-Y96 VanDerWaalsContact C-N 3.27Å; S94-Y96 PolarHBondContact O-N 3.04Å; Y96-R98 VanDerWaalsContact C-N 3.34Å; Y96-R98 PolarHBondContact O-N 3Å; Y96-N99 PolarHBondContact O-N 3.26Å; Y96-N99 VanDerWaalsContact O-N 3.16Å; Y96-I100 HydrophobicContact CD1-CD1 3.96Å; Y96-I100 HydrophobicContact CE1-CD1 3.37Å; Y96-I100 HydrophobicContact CE2-CD1 4.38Å; Y96-I100 PolarHBondContact O-N 3.47Å; Y96-L112 HydrophobicContact CE1-CD2 3.84Å; Y96-L148 WeakPolarHBondContact CB-O 3.33Å; Y96-L149 HydrophobicContact CD1-CD2 4.26Å; Y96-L149 PolarHBondContact N-O 3.08Å
97	I	91.6	Very high	91.2	Very high	0 Å²	0	59.6 Å²	59.6	0%	0	32%	0.315	C	S	.	.	H	α-helix	trans	-65.8	-38.6	178.5	-66.2	174.5	0	0	0	110.5	L74 M90 V91 S94 N99 I100 L101 I110 L149	L74-I97 HydrophobicContact CD2-CG2 4.4Å; M90-I97 HydrophobicContact CB-CD1 3.98Å; M90-I97 HydrophobicContact CB-CG2 4.14Å; M90-I97 HydrophobicContact CE-CD1 3.74Å; V91-I97 HydrophobicContact CG2-CG2 4.05Å; S94-I97 PolarHBondContact O-N 2.91Å; S94-I97 PolarHBondContact OG-N 3.14Å; S94-I97 VanDerWaalsContact OG-N 3.17Å; I97-N99 VanDerWaalsContact C-N 3.3Å; I97-N99 PolarHBondContact O-N 2.97Å; I97-I100 PolarHBondContact O-N 3.15Å; I97-L101 HydrophobicContact CG2-CD1 3.78Å; I97-L101 HydrophobicContact CG2-CG 4.41Å; I97-L101 PolarHBondContact O-N 3.49Å; I97-I110 HydrophobicContact CG2-CD1 4.45Å; I97-L149 HydrophobicContact CD1-CD2 3.85Å; I97-L149 HydrophobicContact CG1-CD2 4.08Å
98	R	92.4	Very high	91	Very high	78 Å²	78	65.2 Å²	65.2	29%	0.294	34%	0.341	S	S	.	.	H	α-helix	trans	-54.4	-45.8	171.3	-173.3	-173.3	-48.1	-87.8	5.7	111.6	V91 S92 S94 E95 Y96 L101 K102	V91-R98 HydrophobicContact CG1-CB 3.95Å; V91-R98 HydrophobicContact CG1-CG 3.82Å; V91-R98 PolarHBondContact O-NH1 3.22Å; V91-R98 PolarHBondContact O-NH2 3.03Å; S92-R98 PolarHBondContact O-NH2 3.4Å; S94-R98 WeakPolarHBondContact O-CB 3.09Å; S94-R98 PolarHBondContact O-N 2.91Å; E95-R98 WeakPolarHBondContact OE1-CD 3.41Å; E95-R98 WeakPolarHBondContact OE2-CD 3.3Å; E95-R98 IonicContact OE2-CZ 3.99Å; E95-R98 IonicContact OE2-NE 3.77Å; E95-R98 PolarHBondContact OE2-NE 3.34Å; Y96-R98 VanDerWaalsContact C-N 3.34Å; Y96-R98 PolarHBondContact O-N 3Å; R98-L101 PolarHBondContact O-N 2.87Å; R98-K102 HydrophobicContact CG-CD 4.2Å; R98-K102 HydrophobicContact CG-CG 4.45Å; R98-K102 WeakPolarHBondContact O-CB 3.41Å; R98-K102 VanDerWaalsContact O-CG 3.23Å; R98-K102 WeakPolarHBondContact O-CG 3.2Å; R98-K102 PolarHBondContact O-N 3.49Å
99	N	92.6	Very high	91	Very high	59 Å²	59	64.8 Å²	64.8	32%	0.316	33%	0.331	S	S	.	.	H	α-helix	trans	-76.5	-23.5	-176.8	-71.7	-37.5	0	0	0	114	E95 Y96 I97 K102 K103	E95-N99 WeakPolarHBondContact O-CB 3.23Å; E95-N99 VanDerWaalsContact O-CG 3.27Å; E95-N99 PolarHBondContact O-N 3.45Å; E95-N99 PolarHBondContact O-ND2 2.77Å; E95-N99 PolarHBondContact OE1-ND2 2.73Å; E95-N99 VanDerWaalsContact OE1-ND2 3.1Å; E95-N99 PolarHBondContact OE1-OD1 3.01Å; Y96-N99 PolarHBondContact O-N 3.26Å; Y96-N99 VanDerWaalsContact O-N 3.16Å; I97-N99 VanDerWaalsContact C-N 3.3Å; I97-N99 PolarHBondContact O-N 2.97Å; N99-K102 WeakPolarHBondContact OD1-CD 3.27Å; N99-K102 PolarHBondContact OD1-NZ 3.46Å; N99-K103 WeakPolarHBondContact O-CG 3.49Å
100	I	91.8	Very high	91	Very high	41 Å²	41	65 Å²	65	21%	0.21	33%	0.331	C	S	.	.	H	α-helix	trans	-69.9	-53.8	166.7	-70.2	174.9	0	0	0	110.3	Y96 I97 K102 K103 D104 L107 I110	Y96-I100 HydrophobicContact CD1-CD1 3.96Å; Y96-I100 HydrophobicContact CE1-CD1 3.37Å; Y96-I100 HydrophobicContact CE2-CD1 4.38Å; Y96-I100 PolarHBondContact O-N 3.47Å; I97-I100 PolarHBondContact O-N 3.15Å; I100-K102 VanDerWaalsContact C-N 3.28Å; I100-K102 PolarHBondContact O-N 3.37Å; I100-K103 WeakPolarHBondContact O-CB 3.15Å; I100-K103 PolarHBondContact O-N 3.15Å; I100-D104 PolarHBondContact O-N 3.23Å; I100-D104 VanDerWaalsContact O-N 3.09Å; I100-L107 HydrophobicContact CG2-CD1 3.52Å; I100-I110 HydrophobicContact CG2-CD1 3.99Å; I100-I110 HydrophobicContact CG2-CG1 4.48Å
101	L	90.4	Very high	90.9	Very high	18 Å²	18	69 Å²	69	9%	0.094	35%	0.353	C	S	.	.	H	α-helix	trans	-72.7	-17.7	-175	-67.9	172.4	0	0	0	113.9	L74 K87 V91 I97 R98 K103 D104 S105 L107	L74-L101 HydrophobicContact CD2-CD1 4.42Å; K87-L101 HydrophobicContact CB-CD1 4.13Å; K87-L101 HydrophobicContact CD-CD1 4.16Å; K87-L101 HydrophobicContact CD-CD2 4.34Å; K87-L101 HydrophobicContact CG-CD1 3.88Å; V91-L101 HydrophobicContact CG2-CB 4.34Å; V91-L101 HydrophobicContact CG2-CD1 3.53Å; I97-L101 HydrophobicContact CG2-CD1 3.78Å; I97-L101 HydrophobicContact CG2-CG 4.41Å; I97-L101 PolarHBondContact O-N 3.49Å; R98-L101 PolarHBondContact O-N 2.87Å; L101-K103 VanDerWaalsContact C-N 3.33Å; L101-D104 WeakPolarHBondContact CA-O 3.29Å; L101-D104 CarbonylContact O-C 3.57Å; L101-S105 WeakPolarHBondContact O-CA 3.36Å; L101-S105 PolarHBondContact O-N 3.38Å; L101-L107 HydrophobicContact CD2-CB 4Å
102	K	90.2	Very high	90.8	Very high	134 Å²	134	67.8 Å²	67.8	58%	0.583	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.6	-29.3	164.7	-82.6	171.5	-176.4	160	0	113	E95 R98 N99 I100	E95-K102 IonicContact OE1-NZ 2.79Å; E95-K102 PolarHBondContact OE1-NZ 3.09Å; R98-K102 HydrophobicContact CG-CD 4.2Å; R98-K102 HydrophobicContact CG-CG 4.45Å; R98-K102 WeakPolarHBondContact O-CB 3.41Å; R98-K102 VanDerWaalsContact O-CG 3.23Å; R98-K102 WeakPolarHBondContact O-CG 3.2Å; R98-K102 PolarHBondContact O-N 3.49Å; N99-K102 WeakPolarHBondContact OD1-CD 3.27Å; N99-K102 PolarHBondContact OD1-NZ 3.46Å; I100-K102 VanDerWaalsContact C-N 3.28Å; I100-K102 PolarHBondContact O-N 3.37Å
103	K	90.2	Very high	90.7	Very high	189 Å²	189	67.1 Å²	67.1	82%	0.822	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.4	-40.6	179.1	-69.6	175.8	-179.9	-179.7	0	111.7	N99 I100 L101	N99-K103 WeakPolarHBondContact O-CG 3.49Å; I100-K103 WeakPolarHBondContact O-CB 3.15Å; I100-K103 PolarHBondContact O-N 3.15Å; L101-K103 VanDerWaalsContact C-N 3.33Å
104	D	88	Confident	90.5	Very high	65 Å²	65	72.3 Å²	72.3	35%	0.348	36%	0.362	S	S	.	.			trans	-141.7	104.2	174.5	-176.8	-6.3	0	0	0	109.8	I100 L101 S106 L107	I100-D104 PolarHBondContact O-N 3.23Å; I100-D104 VanDerWaalsContact O-N 3.09Å; L101-D104 WeakPolarHBondContact CA-O 3.29Å; L101-D104 CarbonylContact O-C 3.57Å; D104-S106 VanDerWaalsContact C-N 3.29Å; D104-S106 WeakPolarHBondContact OD1-CA 3.28Å; D104-S106 VanDerWaalsContact OD1-CB 3.32Å; D104-S106 WeakPolarHBondContact OD1-CB 3.38Å; D104-S106 PolarHBondContact OD1-N 2.79Å; D104-S106 PolarHBondContact OD1-OG 3.12Å; D104-L107 HydrophobicContact CB-CD1 3.92Å; D104-L107 HydrophobicContact CB-CG 4.01Å; D104-L107 PolarHBondContact OD1-N 3.21Å
105	S	85.8	Confident	90.2	Very high	93 Å²	93	73 Å²	73	65%	0.65	37%	0.365	S	S	*	.	S	Bend	trans	-77.2	-16.3	178.6	56	0	0	0	0	113.1	K87 L101	K87-S105 PolarHBondContact NZ-O 2.87Å; L101-S105 WeakPolarHBondContact O-CA 3.36Å; L101-S105 PolarHBondContact O-N 3.38Å
106	S	88.4	Confident	90.2	Very high	85 Å²	85	71.7 Å²	71.7	59%	0.594	36%	0.363	S	S	*	.			trans	-80.1	-20.5	-177.4	77.8	0	0	0	0	113.3	D104 Q108	D104-S106 VanDerWaalsContact C-N 3.29Å; D104-S106 WeakPolarHBondContact OD1-CA 3.28Å; D104-S106 VanDerWaalsContact OD1-CB 3.32Å; D104-S106 WeakPolarHBondContact OD1-CB 3.38Å; D104-S106 PolarHBondContact OD1-N 2.79Å; D104-S106 PolarHBondContact OD1-OG 3.12Å; S106-Q108 PolarHBondContact O-N 3.06Å
107	L	90.1	Very high	90.1	Very high	56 Å²	56	69.9 Å²	69.9	29%	0.293	36%	0.361	S	S	.	.			trans	-46	120.4	175.6	-80.3	168.6	0	0	0	112.4	K87 I100 L101 D104	K87-L107 WeakPolarHBondContact CE-O 3.45Å; K87-L107 PolarHBondContact NZ-O 3.18Å; I100-L107 HydrophobicContact CG2-CD1 3.52Å; L101-L107 HydrophobicContact CD2-CB 4Å; D104-L107 HydrophobicContact CB-CD1 3.92Å; D104-L107 HydrophobicContact CB-CG 4.01Å; D104-L107 PolarHBondContact OD1-N 3.21Å
108	Q	88.6	Confident	90.1	Very high	152 Å²	152	73.8 Å²	73.8	71%	0.71	38%	0.384	S	S	*	.			trans	-99.9	-13.1	174.1	-68.2	179.6	-18.1	0	0	112.7	T75 S106	T75-Q108 PolarHBondContact N-O 3.03Å; S106-Q108 PolarHBondContact O-N 3.06Å
109	K	91.3	Very high	90.1	Very high	99 Å²	99	70 Å²	70	43%	0.43	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	138.4	-177	-175.7	168.6	-178.7	-92.4	0	111.6	T75 T77 D111	T75-K109 VanDerWaalsContact O-CA 3.28Å; T75-K109 WeakPolarHBondContact O-CA 3.47Å; T77-K109 VanDerWaalsContact OG1-CE 3.25Å; T77-K109 WeakPolarHBondContact OG1-CE 3.48Å; T77-K109 PolarHBondContact OG1-NZ 3.38Å; K109-D111 IonicContact NZ-OD1 2.87Å; K109-D111 PolarHBondContact NZ-OD1 2.9Å; K109-D111 IonicContact NZ-OD2 3.25Å; K109-D111 PolarHBondContact NZ-OD2 3.41Å
110	I	91.8	Very high	90.1	Very high	12 Å²	12	67.2 Å²	67.2	6%	0.062	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	118.8	173.3	-65.1	172.5	0	0	0	109.2	L74 T75 V76 T77 I97 I100 L112	L74-I110 HydrophobicContact CD1-CB 4.47Å; L74-I110 HydrophobicContact CD1-CD1 3.89Å; L74-I110 HydrophobicContact CD1-CG1 3.9Å; L74-I110 HydrophobicContact CD2-CD1 4.21Å; T75-I110 PolarHBondContact O-N 3.45Å; V76-I110 WeakPolarHBondContact CA-O 3.35Å; T77-I110 PolarHBondContact N-O 2.9Å; T77-I110 PolarHBondContact OG1-O 3.27Å; I97-I110 HydrophobicContact CG2-CD1 4.45Å; I100-I110 HydrophobicContact CG2-CD1 3.99Å; I100-I110 HydrophobicContact CG2-CG1 4.48Å; I110-L112 HydrophobicContact CG2-CD2 3.78Å; I110-L112 HydrophobicContact CG2-CG 4.08Å
111	D	90.6	Very high	90	Very high	85 Å²	85	66.7 Å²	66.7	46%	0.455	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	112.9	176.5	-70	-72.3	0	0	0	111.2	T77 K109	T77-D111 WeakPolarHBondContact CB-OD1 3.27Å; T77-D111 VanDerWaalsContact OG1-CG 3.28Å; T77-D111 PolarHBondContact OG1-OD1 2.91Å; K109-D111 IonicContact NZ-OD1 2.87Å; K109-D111 PolarHBondContact NZ-OD1 2.9Å; K109-D111 IonicContact NZ-OD2 3.25Å; K109-D111 PolarHBondContact NZ-OD2 3.41Å
112	L	90.6	Very high	90.1	Very high	5 Å²	5	67 Å²	67	3%	0.026	36%	0.359	C	S	.	.			trans	-108.4	60.9	176.2	-58.7	-176.5	0	0	0	110.4	V76 T77 Y96 I110 D114 L115 L120 L149	V76-L112 HydrophobicContact CG1-CD1 3.56Å; V76-L112 HydrophobicContact CG1-CG 3.9Å; T77-L112 PolarHBondContact O-N 3.07Å; Y96-L112 HydrophobicContact CE1-CD2 3.84Å; I110-L112 HydrophobicContact CG2-CD2 3.78Å; I110-L112 HydrophobicContact CG2-CG 4.08Å; L112-D114 PolarHBondContact O-N 3.5Å; L112-L115 HydrophobicContact CB-CD1 4.25Å; L112-L115 HydrophobicContact CB-CG 4.4Å; L112-L115 HydrophobicContact CD1-CD1 3.99Å; L112-L115 PolarHBondContact O-N 2.84Å; L112-L115 VanDerWaalsContact O-N 3.15Å; L112-L120 HydrophobicContact CD1-CD1 4.08Å; L112-L149 HydrophobicContact CD1-CD2 3.78Å
113	N	87.8	Confident	90.2	Very high	67 Å²	67	60.6 Å²	60.6	36%	0.358	33%	0.332	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.6	-14.3	-172.4	-76.1	-42.9	0	0	0	115.1	K79	K79-N113 VanDerWaalsContact CD-O 3.32Å; K79-N113 WeakPolarHBondContact CD-O 3.32Å; K79-N113 WeakPolarHBondContact CE-O 3.33Å; K79-N113 HydrophobicContact CG-CB 3.96Å; K79-N113 WeakPolarHBondContact CG-O 3.23Å; K79-N113 PolarHBondContact NZ-O 3.44Å
114	D	86.5	Confident	90.3	Very high	138 Å²	138	51.7 Å²	51.7	74%	0.738	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.3	-5.3	-179.7	-55.9	-43.5	0	0	0	113.3	K79 L112	K79-D114 IonicContact NZ-OD1 2.69Å; L112-D114 PolarHBondContact O-N 3.5Å
115	L	89.9	Confident	90.5	Very high	14 Å²	14	51.8 Å²	51.8	7%	0.073	30%	0.296	C	S	.	.	S	Bend	trans	-94.9	146.7	175.4	-63.4	-173.1	0	0	0	112.6	L112 L120 A145 L148 L149	L112-L115 HydrophobicContact CB-CD1 4.25Å; L112-L115 HydrophobicContact CB-CG 4.4Å; L112-L115 HydrophobicContact CD1-CD1 3.99Å; L112-L115 PolarHBondContact O-N 2.84Å; L112-L115 VanDerWaalsContact O-N 3.15Å; L115-L120 HydrophobicContact CD1-CB 4.41Å; L115-L120 HydrophobicContact CD1-CD1 4.22Å; L115-A145 HydrophobicContact CD1-CB 4.06Å; L115-A145 HydrophobicContact CD2-CB 4.16Å; L115-L148 HydrophobicContact CD1-CD2 4.01Å; L115-L148 HydrophobicContact CD2-CB 4.07Å; L115-L148 HydrophobicContact CD2-CD2 3.61Å; L115-L148 HydrophobicContact CD2-CG 4.49Å; L115-L148 HydrophobicContact CG-CD2 3.63Å; L115-L149 HydrophobicContact CD1-CG 4.41Å
116	S	91.9	Very high	90.8	Very high	39 Å²	39	49.2 Å²	49.2	27%	0.273	27%	0.273	S	S	.	.			trans	-74.8	147.2	166.8	75.5	0	0	0	0	110.5	V118 G119 L120 S141	S116-V118 PolarHBondContact O-N 3.34Å; S116-G119 PolarHBondContact O-N 3.08Å; S116-G119 PolarHBondContact OG-N 3.48Å; S116-G119 VanDerWaalsContact OG-N 3.15Å; S116-L120 PolarHBondContact O-N 3.32Å; S116-L120 VanDerWaalsContact O-N 3.12Å; S116-S141 WeakPolarHBondContact OG-CB 3.37Å; S116-S141 PolarHBondContact OG-OG 3.1Å
117	P	91.9	Very high	91	Very high	39 Å²	39	45.7 Å²	45.7	25%	0.253	25%	0.249	S	C	.	.	H	α-helix	trans	-51.6	-39.2	173.6	-31.8	37.4	0	0	0	113.6	S80 T81 A121	S80-P117 VanDerWaalsContact OG-CG 3.23Å; S80-P117 WeakPolarHBondContact OG-CG 3.34Å; T81-P117 HydrophobicContact CG2-CB 3.85Å; T81-P117 HydrophobicContact CG2-CG 3.93Å; T81-P117 WeakPolarHBondContact OG1-CB 3.46Å; P117-A121 WeakPolarHBondContact O-CB 3.42Å; P117-A121 PolarHBondContact O-N 3.17Å
118	V	91.4	Very high	91.1	Very high	81 Å²	81	43.1 Å²	43.1	49%	0.491	24%	0.235	S	C	.	.	H	α-helix	trans	-66.3	-50.2	-179.5	-178.9	0	0	0	0	110.7	S116 L120 A121 T122	S116-V118 PolarHBondContact O-N 3.34Å; V118-L120 VanDerWaalsContact C-N 3.34Å; V118-L120 PolarHBondContact O-N 2.7Å; V118-A121 PolarHBondContact O-N 3.17Å; V118-T122 PolarHBondContact O-N 2.91Å; V118-T122 PolarHBondContact O-OG1 3.19Å
119	G	91.5	Very high	91.1	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-60.9	-42.7	-179.5	0	0	0	0	0	112.5	S116 T122 A123 S141 A145	S116-G119 PolarHBondContact O-N 3.08Å; S116-G119 PolarHBondContact OG-N 3.48Å; S116-G119 VanDerWaalsContact OG-N 3.15Å; G119-T122 PolarHBondContact O-N 2.92Å; G119-A123 PolarHBondContact O-N 2.98Å; G119-S141 WeakPolarHBondContact CA-O 3.41Å; G119-A145 VanDerWaalsContact C-CB 3.42Å; G119-A145 VanDerWaalsContact O-CB 3.31Å; G119-A145 WeakPolarHBondContact O-CB 3.48Å
120	L	92.6	Very high	90.7	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-67.5	-43.9	176.2	-177.7	61.3	0	0	0	112	V76 T78 F83 L112 L115 S116 V118 T122 A123 I124 L149	V76-L120 HydrophobicContact CB-CD2 4.49Å; V76-L120 HydrophobicContact CG1-CD1 4.37Å; V76-L120 HydrophobicContact CG1-CD2 3.76Å; T78-L120 HydrophobicContact CG2-CB 4.35Å; T78-L120 HydrophobicContact CG2-CD2 3.56Å; F83-L120 HydrophobicContact CD2-CD2 3.65Å; F83-L120 HydrophobicContact CD2-CG 4.17Å; F83-L120 HydrophobicContact CE2-CB 4.39Å; F83-L120 HydrophobicContact CE2-CD2 3.84Å; F83-L120 HydrophobicContact CE2-CG 4.19Å; L112-L120 HydrophobicContact CD1-CD1 4.08Å; L115-L120 HydrophobicContact CD1-CB 4.41Å; L115-L120 HydrophobicContact CD1-CD1 4.22Å; S116-L120 PolarHBondContact O-N 3.32Å; S116-L120 VanDerWaalsContact O-N 3.12Å; V118-L120 VanDerWaalsContact C-N 3.34Å; V118-L120 PolarHBondContact O-N 2.7Å; L120-T122 VanDerWaalsContact C-N 3.29Å; L120-T122 PolarHBondContact O-N 3.45Å; L120-A123 PolarHBondContact O-N 3.49Å; L120-I124 HydrophobicContact CD1-CD1 4.15Å; L120-I124 HydrophobicContact CD1-CG1 4.3Å; L120-I124 HydrophobicContact CG-CD1 3.89Å; L120-I124 HydrophobicContact CG-CG1 4.46Å; L120-I124 WeakPolarHBondContact O-CG1 3.31Å; L120-I124 PolarHBondContact O-N 3.43Å; L120-L149 HydrophobicContact CD1-CD1 4.03Å
121	A	91.5	Very high	90.3	Very high	30 Å²	30	42.3 Å²	42.3	25%	0.248	25%	0.247	C	C	.	.	H	α-helix	trans	-60.1	-39.2	175.9	0	0	0	0	0	111.8	F83 P117 V118 I124 T125	F83-A121 HydrophobicContact CE1-CB 3.98Å; F83-A121 HydrophobicContact CZ-CB 3.94Å; P117-A121 WeakPolarHBondContact O-CB 3.42Å; P117-A121 PolarHBondContact O-N 3.17Å; V118-A121 PolarHBondContact O-N 3.17Å; A121-I124 PolarHBondContact O-N 3.3Å; A121-T125 VanDerWaalsContact O-CB 3.31Å; A121-T125 WeakPolarHBondContact O-CB 3.42Å; A121-T125 PolarHBondContact O-N 2.99Å; A121-T125 PolarHBondContact O-OG1 3.25Å
122	T	91.6	Very high	90.1	Very high	23 Å²	23	40.4 Å²	40.4	14%	0.141	24%	0.236	C	C	.	.	H	α-helix	trans	-65.2	-42.2	174.4	-58.2	0	0	0	0	111.9	V118 G119 L120 T125 Y126 L132 T142	V118-T122 PolarHBondContact O-N 2.91Å; V118-T122 PolarHBondContact O-OG1 3.19Å; G119-T122 PolarHBondContact O-N 2.92Å; L120-T122 VanDerWaalsContact C-N 3.29Å; L120-T122 PolarHBondContact O-N 3.45Å; T122-T125 PolarHBondContact O-N 3.39Å; T122-Y126 WeakPolarHBondContact O-CB 3.18Å; T122-Y126 PolarHBondContact O-N 2.96Å; T122-L132 HydrophobicContact CG2-CD2 3.37Å; T122-T142 HydrophobicContact CG2-CG2 3.57Å
123	A	92.9	Very high	89.9	Confident	0 Å²	0	46.6 Å²	46.6	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-64.8	-40	176	0	0	0	0	0	112.9	G119 L120 Y126 A127 A145 L149 I151 L154	G119-A123 PolarHBondContact O-N 2.98Å; L120-A123 PolarHBondContact O-N 3.49Å; A123-Y126 PolarHBondContact O-N 3.3Å; A123-A127 PolarHBondContact O-N 2.95Å; A123-A145 HydrophobicContact CB-CB 4.42Å; A123-L149 HydrophobicContact CB-CD1 3.72Å; A123-I151 HydrophobicContact CB-CD1 4.25Å; A123-L154 HydrophobicContact CB-CD2 4.03Å
124	I	92.4	Very high	89.9	Confident	2 Å²	2	45 Å²	45	1%	0.01	27%	0.266	C	S	.	.	H	α-helix	trans	-65.8	-45.6	173	-65.6	167.3	0	0	0	110.1	F83 V85 M90 L120 A121 Y126 A127 Y128	F83-I124 HydrophobicContact CB-CD1 3.66Å; F83-I124 HydrophobicContact CD1-CD1 4.3Å; F83-I124 HydrophobicContact CD2-CD1 4.15Å; F83-I124 HydrophobicContact CG-CD1 3.8Å; V85-I124 HydrophobicContact CG1-CD1 3.97Å; V85-I124 HydrophobicContact CG1-CG1 4.22Å; V85-I124 HydrophobicContact CG1-CG2 3.91Å; M90-I124 HydrophobicContact CE-CG1 4.12Å; M90-I124 HydrophobicContact SD-CG1 4.18Å; L120-I124 HydrophobicContact CD1-CD1 4.15Å; L120-I124 HydrophobicContact CD1-CG1 4.3Å; L120-I124 HydrophobicContact CG-CD1 3.89Å; L120-I124 HydrophobicContact CG-CG1 4.46Å; L120-I124 WeakPolarHBondContact O-CG1 3.31Å; L120-I124 PolarHBondContact O-N 3.43Å; A121-I124 PolarHBondContact O-N 3.3Å; I124-Y126 VanDerWaalsContact C-N 3.27Å; I124-Y126 PolarHBondContact O-N 3.49Å; I124-A127 WeakPolarHBondContact O-CB 3.16Å; I124-A127 PolarHBondContact O-N 3.45Å; I124-A127 VanDerWaalsContact O-N 3.08Å; I124-Y128 HydrophobicContact CG2-CD2 3.89Å; I124-Y128 HydrophobicContact CG2-CE2 4.14Å; I124-Y128 WeakPolarHBondContact O-CD2 3.35Å; I124-Y128 PolarHBondContact O-N 2.87Å; I124-Y128 VanDerWaalsContact O-N 3.1Å
125	T	91.3	Very high	90.2	Very high	68 Å²	68	40.5 Å²	40.5	42%	0.417	25%	0.245	S	C	.	.	H	α-helix	trans	-58.8	-40.8	178.1	-57.9	0	0	0	0	111.5	A121 T122 Y128 S129	A121-T125 VanDerWaalsContact O-CB 3.31Å; A121-T125 WeakPolarHBondContact O-CB 3.42Å; A121-T125 PolarHBondContact O-N 2.99Å; A121-T125 PolarHBondContact O-OG1 3.25Å; T122-T125 PolarHBondContact O-N 3.39Å; T125-Y128 PolarHBondContact O-N 3.13Å; T125-S129 WeakPolarHBondContact O-CB 3.31Å; T125-S129 PolarHBondContact O-N 2.93Å; T125-S129 PolarHBondContact O-OG 3.13Å
126	Y	93.1	Very high	90.1	Very high	39 Å²	39	41.8 Å²	41.8	15%	0.153	25%	0.252	C	S	.	.	H	α-helix	trans	-59.9	-49.8	172.2	170.1	-113.6	0	0	0	112.2	T122 A123 I124 Y128 S129 G130 L132 I151 T153 L154 M157	T122-Y126 WeakPolarHBondContact O-CB 3.18Å; T122-Y126 PolarHBondContact O-N 2.96Å; A123-Y126 PolarHBondContact O-N 3.3Å; I124-Y126 VanDerWaalsContact C-N 3.27Å; I124-Y126 PolarHBondContact O-N 3.49Å; Y126-Y128 PolarHBondContact O-N 3.43Å; Y126-Y128 VanDerWaalsContact O-N 3.17Å; Y126-S129 PolarHBondContact O-N 3.28Å; Y126-G130 WeakPolarHBondContact O-CA 3.4Å; Y126-G130 PolarHBondContact O-N 3.33Å; Y126-L132 HydrophobicContact CD2-CD1 3.91Å; Y126-L132 HydrophobicContact CD2-CG 4.22Å; Y126-L132 HydrophobicContact CG-CD1 4.39Å; Y126-I151 HydrophobicContact CD1-CG2 4.06Å; Y126-I151 HydrophobicContact CE1-CG2 3.63Å; Y126-T153 WeakPolarHBondContact OH-CB 3.49Å; Y126-T153 WeakPolarHBondContact OH-CG2 3.47Å; Y126-L154 HydrophobicContact CD1-CB 4.29Å; Y126-L154 HydrophobicContact CD1-CD2 4.44Å; Y126-L154 HydrophobicContact CE1-CB 4.33Å; Y126-L154 HydrophobicContact CG-CD1 4.3Å; Y126-M157 HydrophobicContact CD2-CE 3.8Å; Y126-M157 HydrophobicContact CE2-CE 3.24Å; Y126-M157 HydrophobicContact CE2-SD 4.47Å
127	A	91.9	Very high	89.9	Confident	11 Å²	11	50.9 Å²	50.9	9%	0.091	28%	0.282	C	S	.	.	H	α-helix	trans	-57.2	-31.6	-179.6	0	0	0	0	0	113.6	V89 M90 C93 A123 I124	V89-A127 HydrophobicContact CG1-CB 4.11Å; M90-A127 HydrophobicContact SD-CB 4.17Å; C93-A127 HydrophobicContact CB-CB 4.33Å; C93-A127 VanDerWaalsContact SG-CB 3.51Å; A123-A127 PolarHBondContact O-N 2.95Å; I124-A127 WeakPolarHBondContact O-CB 3.16Å; I124-A127 PolarHBondContact O-N 3.45Å; I124-A127 VanDerWaalsContact O-N 3.08Å
128	Y	91.6	Very high	89.9	Confident	1 Å²	1	50 Å²	50	0%	0.004	28%	0.277	C	S	.	.	H	α-helix	trans	-100.5	-8.3	-175.6	-83.4	-88.1	0	0	0	115.5	L59 L62 N63 R66 V85 H86 V89 M90 I124 T125 Y126	L59-Y128 CarbonylContact C-O 3.46Å; L62-Y128 HydrophobicContact CB-CD1 4.15Å; L62-Y128 HydrophobicContact CB-CE1 4.15Å; L62-Y128 WeakPolarHBondContact O-CE1 3.37Å; N63-Y128 HydrophobicContact CB-CD1 4.11Å; R66-Y128 HydrophobicContact CB-CD1 4.46Å; R66-Y128 HydrophobicContact CB-CE1 3.94Å; R66-Y128 HydrophobicContact CG-CE1 4.39Å; V85-Y128 HydrophobicContact CG1-CE2 4.35Å; H86-Y128 VanDerWaalsContact CB-OH 3.3Å; H86-Y128 WeakPolarHBondContact CB-OH 3.39Å; H86-Y128 VanDerWaalsContact CG-OH 3.26Å; H86-Y128 PolarHBondContact N-OH 2.77Å; H86-Y128 AromaticContact ND1-CE1 3.45Å; H86-Y128 WeakPolarHBondContact ND1-CE1 3.43Å; H86-Y128 AromaticContact ND1-CZ 3.54Å; H86-Y128 PolarHBondContact ND1-OH 3.4Å; V89-Y128 HydrophobicContact CB-CE1 4.23Å; V89-Y128 HydrophobicContact CB-CE2 4.06Å; V89-Y128 HydrophobicContact CG1-CD1 4.23Å; V89-Y128 HydrophobicContact CG1-CD2 3.85Å; V89-Y128 HydrophobicContact CG1-CE1 4.02Å; V89-Y128 HydrophobicContact CG1-CE2 3.58Å; V89-Y128 HydrophobicContact CG1-CG 4.18Å; V89-Y128 HydrophobicContact CG2-CE1 3.96Å; M90-Y128 HydrophobicContact SD-CE2 4.37Å; I124-Y128 HydrophobicContact CG2-CD2 3.89Å; I124-Y128 HydrophobicContact CG2-CE2 4.14Å; I124-Y128 WeakPolarHBondContact O-CD2 3.35Å; I124-Y128 PolarHBondContact O-N 2.87Å; I124-Y128 VanDerWaalsContact O-N 3.1Å; T125-Y128 PolarHBondContact O-N 3.13Å; Y126-Y128 PolarHBondContact O-N 3.43Å; Y126-Y128 VanDerWaalsContact O-N 3.17Å
129	S	88.4	Confident	90	Very high	39 Å²	39	46.2 Å²	46.2	27%	0.273	25%	0.254	S	S	.	.	H	α-helix	trans	-135.4	-17.5	-176.7	71.1	0	0	0	0	115.2	T125 Y126 K131	T125-S129 WeakPolarHBondContact O-CB 3.31Å; T125-S129 PolarHBondContact O-N 2.93Å; T125-S129 PolarHBondContact O-OG 3.13Å; Y126-S129 PolarHBondContact O-N 3.28Å; S129-K131 PolarHBondContact O-N 3.06Å; S129-K131 VanDerWaalsContact O-N 3.09Å; S129-K131 PolarHBondContact OG-N 3.21Å; S129-K131 VanDerWaalsContact OG-N 3.1Å; S129-K131 PolarHBondContact OG-O 2.66Å
130	G	84.3	Confident	90	Very high	46 Å²	46	46.8 Å²	46.8	47%	0.474	26%	0.26	S	S	.	.	S	Bend	trans	63.3	3.8	-168.2	0	0	0	0	0	114.5	Y126	Y126-G130 WeakPolarHBondContact O-CA 3.4Å; Y126-G130 PolarHBondContact O-N 3.33Å
131	K	83.3	Confident	90.1	Very high	161 Å²	161	48.8 Å²	48.8	70%	0.7	27%	0.274	S	S	*	.			trans	-116.1	151.3	-175.8	-66.6	175.2	-175.6	172.3	0	110.7	S129	S129-K131 PolarHBondContact O-N 3.06Å; S129-K131 VanDerWaalsContact O-N 3.09Å; S129-K131 PolarHBondContact OG-N 3.21Å; S129-K131 VanDerWaalsContact OG-N 3.1Å; S129-K131 PolarHBondContact OG-O 2.66Å
132	L	85.8	Confident	90.2	Very high	45 Å²	45	47.4 Å²	47.4	24%	0.236	26%	0.262	C	S	.	.			trans	-141.6	140.5	-174.9	-78.6	157.3	0	0	0	110.5	T122 Y126 L134 L154 M157	T122-L132 HydrophobicContact CG2-CD2 3.37Å; Y126-L132 HydrophobicContact CD2-CD1 3.91Å; Y126-L132 HydrophobicContact CD2-CG 4.22Å; Y126-L132 HydrophobicContact CG-CD1 4.39Å; L132-L134 HydrophobicContact CB-CD2 4.49Å; L132-L134 HydrophobicContact CB-CG 4.35Å; L132-L134 HydrophobicContact CD2-CD2 4.34Å; L132-L154 HydrophobicContact CD1-CD1 3.37Å; L132-L154 HydrophobicContact CD2-CD1 3.78Å; L132-L154 HydrophobicContact CG-CD1 4.2Å; L132-M157 HydrophobicContact CD1-CB 4.39Å; L132-M157 HydrophobicContact CD1-CE 3.57Å; L132-M157 HydrophobicContact CD1-SD 3.82Å
133	T	85.6	Confident	90.3	Very high	136 Å²	136	46.3 Å²	46.3	83%	0.834	26%	0.255	S	S	*	.			trans	-111	104.9	163.8	-54.1	0	0	0	0	107
134	L	89.6	Confident	90.4	Very high	33 Å²	33	47.7 Å²	47.7	17%	0.173	27%	0.267	C	S	.	.			trans	-96.4	149.6	178.2	-61.1	179.1	0	0	0	110.1	L132 I139 T142 F161	L132-L134 HydrophobicContact CB-CD2 4.49Å; L132-L134 HydrophobicContact CB-CG 4.35Å; L132-L134 HydrophobicContact CD2-CD2 4.34Å; L134-I139 HydrophobicContact CB-CD1 4.33Å; L134-I139 HydrophobicContact CD1-CD1 4.05Å; L134-I139 HydrophobicContact CD2-CD1 4.02Å; L134-I139 HydrophobicContact CG-CD1 4.36Å; L134-T142 HydrophobicContact CD2-CG2 4.05Å; L134-F161 HydrophobicContact CB-CD1 3.85Å; L134-F161 HydrophobicContact CB-CD2 4Å; L134-F161 HydrophobicContact CB-CE1 3.93Å; L134-F161 HydrophobicContact CB-CE2 4.07Å; L134-F161 HydrophobicContact CB-CG 3.88Å; L134-F161 HydrophobicContact CB-CZ 4.04Å; L134-F161 HydrophobicContact CD1-CB 3.65Å; L134-F161 HydrophobicContact CD1-CD1 4.15Å; L134-F161 HydrophobicContact CD1-CD2 4.45Å; L134-F161 HydrophobicContact CD1-CG 3.83Å
135	S	91.1	Very high	90.5	Very high	43 Å²	43	47.6 Å²	47.6	30%	0.301	27%	0.267	S	S	.	.			trans	-146	150	172.7	75.1	0	0	0	0	109	Y137 S138 I139	S135-Y137 PolarHBondContact O-N 3.47Å; S135-S138 PolarHBondContact O-N 3.13Å; S135-S138 VanDerWaalsContact O-N 3.08Å; S135-S138 PolarHBondContact O-OG 2.87Å; S135-S138 PolarHBondContact OG-N 3.27Å; S135-S138 PolarHBondContact OG-OG 2.85Å; S135-I139 WeakPolarHBondContact O-CB 3.48Å; S135-I139 PolarHBondContact O-N 3.14Å
136	L	89	Confident	90.6	Very high	42 Å²	42	44.4 Å²	44.4	22%	0.22	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.5	-31.4	175.9	-65.2	174.7	0	0	0	112.1	S138 I139 F161 L162 N170 Y173	L136-S138 PolarHBondContact O-N 3.08Å; L136-I139 WeakPolarHBondContact O-CG2 3.49Å; L136-F161 HydrophobicContact CD2-CE1 4.12Å; L136-F161 HydrophobicContact CG-CE1 4.5Å; L136-L162 HydrophobicContact CD2-CD2 4.05Å; L136-N170 HydrophobicContact CD1-CB 4.4Å; L136-Y173 HydrophobicContact CB-CE1 4.27Å; L136-Y173 HydrophobicContact CD2-CE1 4.34Å; L136-Y173 PolarHBondContact O-OH 3.36Å
137	Y	88.3	Confident	90.7	Very high	229 Å²	229	47.6 Å²	47.6	90%	0.898	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.5	-32.1	177	-60.4	-78	0	0	0	114.3	S135	S135-Y137 PolarHBondContact O-N 3.47Å
138	S	90.1	Very high	90.7	Very high	22 Å²	22	50.1 Å²	50.1	15%	0.154	27%	0.27	C	S	.	.	T	Hydrogen-bonded Turn	trans	-101.8	-16.3	-178.3	60.1	0	0	0	0	114.3	S135 L136 G140 S141 T142	S135-S138 PolarHBondContact O-N 3.13Å; S135-S138 VanDerWaalsContact O-N 3.08Å; S135-S138 PolarHBondContact O-OG 2.87Å; S135-S138 PolarHBondContact OG-N 3.27Å; S135-S138 PolarHBondContact OG-OG 2.85Å; L136-S138 PolarHBondContact O-N 3.08Å; S138-G140 VanDerWaalsContact C-N 3.32Å; S138-G140 PolarHBondContact O-N 3.14Å; S138-S141 WeakPolarHBondContact O-CB 3.42Å; S138-S141 PolarHBondContact O-N 3.41Å; S138-T142 PolarHBondContact O-N 2.93Å; S138-T142 VanDerWaalsContact O-N 3.14Å; S138-T142 PolarHBondContact O-OG1 3.05Å
139	I	93.8	Very high	90.8	Very high	0 Å²	0	50 Å²	50	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-56.7	-40.9	-167.2	-163.4	60.6	0	0	0	113.5	L134 S135 L136 S141 T142 I143 C158 F161 L162 Y173 I177	L134-I139 HydrophobicContact CB-CD1 4.33Å; L134-I139 HydrophobicContact CD1-CD1 4.05Å; L134-I139 HydrophobicContact CD2-CD1 4.02Å; L134-I139 HydrophobicContact CG-CD1 4.36Å; S135-I139 WeakPolarHBondContact O-CB 3.48Å; S135-I139 PolarHBondContact O-N 3.14Å; L136-I139 WeakPolarHBondContact O-CG2 3.49Å; I139-S141 VanDerWaalsContact C-N 3.35Å; I139-S141 PolarHBondContact O-N 3Å; I139-T142 PolarHBondContact O-N 3.39Å; I139-T142 VanDerWaalsContact O-N 3.14Å; I139-I143 HydrophobicContact CG1-CD1 3.85Å; I139-I143 HydrophobicContact CG1-CG1 4.37Å; I139-I143 WeakPolarHBondContact O-CG1 2.89Å; I139-I143 PolarHBondContact O-N 3.13Å; I139-C158 HydrophobicContact CD1-CB 3.72Å; I139-C158 HydrophobicContact CG1-CB 4.5Å; I139-F161 HydrophobicContact CD1-CD1 3.78Å; I139-F161 HydrophobicContact CD1-CE1 4.28Å; I139-F161 HydrophobicContact CG1-CD1 4.17Å; I139-F161 HydrophobicContact CG1-CE1 4.44Å; I139-L162 HydrophobicContact CG1-CD1 4.42Å; I139-L162 HydrophobicContact CG1-CD2 4.11Å; I139-L162 HydrophobicContact CG1-CG 4.12Å; I139-L162 HydrophobicContact CG2-CD2 4.12Å; I139-Y173 HydrophobicContact CG2-CE1 4.43Å; I139-I177 HydrophobicContact CG2-CD1 3.82Å
140	G	93.1	Very high	91.1	Very high	12 Å²	12	52.5 Å²	52.5	12%	0.124	28%	0.277	C	S	.	.	H	α-helix	trans	-61.8	-39.9	177.7	0	0	0	0	0	113	S138 A144 Y181	S138-G140 VanDerWaalsContact C-N 3.32Å; S138-G140 PolarHBondContact O-N 3.14Å; G140-A144 WeakPolarHBondContact O-CB 3.5Å; G140-A144 PolarHBondContact O-N 3.44Å; G140-Y181 PolarHBondContact O-OH 3.14Å; G140-Y181 VanDerWaalsContact O-OH 3.13Å
141	S	92.9	Very high	91.6	Very high	43 Å²	43	50.5 Å²	50.5	30%	0.301	26%	0.255	S	S	.	.	H	α-helix	trans	-64.9	-40.2	173.5	-81.3	0	0	0	0	112	S116 G119 S138 I139 A145	S116-S141 WeakPolarHBondContact OG-CB 3.37Å; S116-S141 PolarHBondContact OG-OG 3.1Å; G119-S141 WeakPolarHBondContact CA-O 3.41Å; S138-S141 WeakPolarHBondContact O-CB 3.42Å; S138-S141 PolarHBondContact O-N 3.41Å; I139-S141 VanDerWaalsContact C-N 3.35Å; I139-S141 PolarHBondContact O-N 3Å; S141-A145 PolarHBondContact O-N 3.13Å; S141-A145 VanDerWaalsContact O-N 3.09Å
142	T	94.3	Very high	92.1	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-66.1	-43.8	178	-51.7	0	0	0	0	111.7	T122 L134 S138 I139 A145 A146 L154	T122-T142 HydrophobicContact CG2-CG2 3.57Å; L134-T142 HydrophobicContact CD2-CG2 4.05Å; S138-T142 PolarHBondContact O-N 2.93Å; S138-T142 VanDerWaalsContact O-N 3.14Å; S138-T142 PolarHBondContact O-OG1 3.05Å; I139-T142 PolarHBondContact O-N 3.39Å; I139-T142 VanDerWaalsContact O-N 3.14Å; T142-A145 PolarHBondContact O-N 2.96Å; T142-A146 VanDerWaalsContact O-CB 3.28Å; T142-A146 WeakPolarHBondContact O-CB 3.28Å; T142-A146 PolarHBondContact O-N 3.26Å; T142-L154 HydrophobicContact CG2-CD1 4.16Å; T142-L154 HydrophobicContact CG2-CD2 4.42Å; T142-L154 HydrophobicContact CG2-CG 4.39Å
143	I	94.8	Very high	92.4	Very high	0 Å²	0	50.8 Å²	50.8	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-64.6	-42.9	177.8	-65.3	161.3	0	0	0	110.9	I139 A145 A146 R147 C158 L162 I177 Y181 L183	I139-I143 HydrophobicContact CG1-CD1 3.85Å; I139-I143 HydrophobicContact CG1-CG1 4.37Å; I139-I143 WeakPolarHBondContact O-CG1 2.89Å; I139-I143 PolarHBondContact O-N 3.13Å; I143-A145 PolarHBondContact O-N 3.2Å; I143-A146 PolarHBondContact O-N 3.04Å; I143-R147 HydrophobicContact CG2-CG 4.36Å; I143-R147 PolarHBondContact O-N 3.03Å; I143-C158 HydrophobicContact CD1-CB 4.12Å; I143-C158 HydrophobicContact CG1-CB 3.53Å; I143-L162 HydrophobicContact CD1-CD1 3.84Å; I143-I177 HydrophobicContact CD1-CG2 3.75Å; I143-Y181 HydrophobicContact CB-CD2 4.22Å; I143-Y181 HydrophobicContact CB-CG 4.29Å; I143-Y181 HydrophobicContact CG2-CD1 3.88Å; I143-Y181 HydrophobicContact CG2-CD2 3.83Å; I143-Y181 HydrophobicContact CG2-CG 3.47Å; I143-Y181 VanDerWaalsContact CG2-CG 3.47Å; I143-L183 HydrophobicContact CD1-CD1 3.97Å; I143-L183 HydrophobicContact CG2-CD1 4.34Å
144	A	94.1	Very high	92.7	Very high	30 Å²	30	44.3 Å²	44.3	25%	0.248	23%	0.228	C	C	.	.	H	α-helix	trans	-57.5	-47.8	175.4	0	0	0	0	0	111.7	G140 L148 Y181	G140-A144 WeakPolarHBondContact O-CB 3.5Å; G140-A144 PolarHBondContact O-N 3.44Å; A144-L148 WeakPolarHBondContact O-CB 3.43Å; A144-L148 PolarHBondContact O-N 2.88Å; A144-Y181 HydrophobicContact CB-CE1 3.76Å
145	A	94	Very high	93	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-63	-44.8	175.6	0	0	0	0	0	112.3	L115 G119 A123 S141 T142 I143 R147 L148 L149	L115-A145 HydrophobicContact CD1-CB 4.06Å; L115-A145 HydrophobicContact CD2-CB 4.16Å; G119-A145 VanDerWaalsContact C-CB 3.42Å; G119-A145 VanDerWaalsContact O-CB 3.31Å; G119-A145 WeakPolarHBondContact O-CB 3.48Å; A123-A145 HydrophobicContact CB-CB 4.42Å; S141-A145 PolarHBondContact O-N 3.13Å; S141-A145 VanDerWaalsContact O-N 3.09Å; T142-A145 PolarHBondContact O-N 2.96Å; I143-A145 PolarHBondContact O-N 3.2Å; A145-R147 PolarHBondContact O-N 2.92Å; A145-L148 PolarHBondContact O-N 3.32Å; A145-L149 WeakPolarHBondContact O-CB 3.28Å; A145-L149 VanDerWaalsContact O-CG 3.27Å; A145-L149 WeakPolarHBondContact O-CG 3.5Å; A145-L149 PolarHBondContact O-N 2.66Å
146	A	94.5	Very high	93.1	Very high	0 Å²	0	48 Å²	48	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-61.4	-43.8	179	0	0	0	0	0	112.7	T142 I143 Q150 I151 L154 V155	T142-A146 VanDerWaalsContact O-CB 3.28Å; T142-A146 WeakPolarHBondContact O-CB 3.28Å; T142-A146 PolarHBondContact O-N 3.26Å; I143-A146 PolarHBondContact O-N 3.04Å; A146-Q150 PolarHBondContact O-N 3.39Å; A146-I151 PolarHBondContact O-N 3.05Å; A146-L154 HydrophobicContact CB-CB 3.93Å; A146-L154 HydrophobicContact CB-CD2 3.67Å; A146-L154 HydrophobicContact CB-CG 3.64Å; A146-V155 HydrophobicContact CB-CG2 3.63Å
147	R	93.6	Very high	93.3	Very high	106 Å²	106	48.7 Å²	48.7	40%	0.4	24%	0.242	S	C	.	.	H	α-helix	trans	-68.7	-46.2	177.2	-74.4	-173.4	68.6	109.3	-1.4	111.8	I143 A145 L149 Q150 V155 Y181 D182	I143-R147 HydrophobicContact CG2-CG 4.36Å; I143-R147 PolarHBondContact O-N 3.03Å; A145-R147 PolarHBondContact O-N 2.92Å; R147-L149 PolarHBondContact O-N 3.09Å; R147-Q150 PolarHBondContact O-N 3.1Å; R147-Q150 VanDerWaalsContact O-N 3.15Å; R147-V155 HydrophobicContact CG-CG2 3.88Å; R147-Y181 WeakPolarHBondContact CD-O 3.39Å; R147-Y181 PolarHBondContact NE-O 2.95Å; R147-Y181 PolarHBondContact NH1-O 3Å; R147-D182 PolarHBondContact NH1-O 3.21Å; R147-D182 IonicContact NH2-OD2 2.72Å
148	L	93.2	Very high	93.6	Very high	64 Å²	64	37.8 Å²	37.8	34%	0.335	20%	0.199	S	C	.	.	H	α-helix	trans	-63.6	-43.2	179.3	-171.5	70.6	0	0	0	111.8	Y96 L115 A144 A145 Q150	Y96-L148 WeakPolarHBondContact CB-O 3.33Å; L115-L148 HydrophobicContact CD1-CD2 4.01Å; L115-L148 HydrophobicContact CD2-CB 4.07Å; L115-L148 HydrophobicContact CD2-CD2 3.61Å; L115-L148 HydrophobicContact CD2-CG 4.49Å; L115-L148 HydrophobicContact CG-CD2 3.63Å; A144-L148 WeakPolarHBondContact O-CB 3.43Å; A144-L148 PolarHBondContact O-N 2.88Å; A145-L148 PolarHBondContact O-N 3.32Å; L148-Q150 PolarHBondContact O-N 3.18Å
149	L	93.7	Very high	93.9	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.9	-4	177.5	-65	174.5	0	0	0	113.4	S94 Y96 I97 L112 L115 L120 A123 A145 R147 I151	S94-L149 WeakPolarHBondContact CA-O 3.38Å; S94-L149 WeakPolarHBondContact CB-O 3.39Å; S94-L149 PolarHBondContact OG-O 3.06Å; Y96-L149 HydrophobicContact CD1-CD2 4.26Å; Y96-L149 PolarHBondContact N-O 3.08Å; I97-L149 HydrophobicContact CD1-CD2 3.85Å; I97-L149 HydrophobicContact CG1-CD2 4.08Å; L112-L149 HydrophobicContact CD1-CD2 3.78Å; L115-L149 HydrophobicContact CD1-CG 4.41Å; L120-L149 HydrophobicContact CD1-CD1 4.03Å; A123-L149 HydrophobicContact CB-CD1 3.72Å; A145-L149 WeakPolarHBondContact O-CB 3.28Å; A145-L149 VanDerWaalsContact O-CG 3.27Å; A145-L149 WeakPolarHBondContact O-CG 3.5Å; A145-L149 PolarHBondContact O-N 2.66Å; R147-L149 PolarHBondContact O-N 3.09Å; L149-I151 VanDerWaalsContact C-N 3.32Å; L149-I151 HydrophobicContact CB-CD1 3.81Å; L149-I151 HydrophobicContact CB-CG1 3.72Å; L149-I151 HydrophobicContact CD1-CD1 4.07Å; L149-I151 PolarHBondContact O-N 3.49Å
150	Q	94.7	Very high	93.9	Very high	90 Å²	90	40.8 Å²	40.8	42%	0.421	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.3	40.6	-179	-57.9	176.3	-0.4	0	0	113.3	E95 A146 R147 L148 N152	E95-Q150 HydrophobicContact CB-CB 4.1Å; A146-Q150 PolarHBondContact O-N 3.39Å; R147-Q150 PolarHBondContact O-N 3.1Å; R147-Q150 VanDerWaalsContact O-N 3.15Å; L148-Q150 PolarHBondContact O-N 3.18Å; Q150-N152 PolarHBondContact O-N 3.34Å
151	I	94.7	Very high	94	Very high	4 Å²	4	41.9 Å²	41.9	2%	0.021	22%	0.216	C	C	.	.			trans	-95.1	78	178.8	-48.3	-179.7	0	0	0	108.8	A123 Y126 A146 L149 T153 L154 V155	A123-I151 HydrophobicContact CB-CD1 4.25Å; Y126-I151 HydrophobicContact CD1-CG2 4.06Å; Y126-I151 HydrophobicContact CE1-CG2 3.63Å; A146-I151 PolarHBondContact O-N 3.05Å; L149-I151 VanDerWaalsContact C-N 3.32Å; L149-I151 HydrophobicContact CB-CD1 3.81Å; L149-I151 HydrophobicContact CB-CG1 3.72Å; L149-I151 HydrophobicContact CD1-CD1 4.07Å; L149-I151 PolarHBondContact O-N 3.49Å; I151-T153 VanDerWaalsContact C-N 3.28Å; I151-T153 PolarHBondContact O-N 3.41Å; I151-L154 HydrophobicContact CB-CB 3.98Å; I151-L154 HydrophobicContact CD1-CD2 4.44Å; I151-L154 HydrophobicContact CG2-CB 3.57Å; I151-L154 WeakPolarHBondContact O-CA 3.47Å; I151-L154 WeakPolarHBondContact O-CB 3.46Å; I151-L154 PolarHBondContact O-N 3.37Å; I151-V155 PolarHBondContact O-N 3.49Å; I151-V155 VanDerWaalsContact O-N 3.13Å
152	N	92.8	Very high	94.1	Very high	127 Å²	127	39.9 Å²	39.9	68%	0.679	20%	0.202	S	C	*	.	H	α-helix	trans	-56.7	-37.1	-172.6	-66.9	-21.2	0	0	0	113.6	Q150 L154 V155 K156	Q150-N152 PolarHBondContact O-N 3.34Å; N152-L154 VanDerWaalsContact C-N 3.28Å; N152-L154 PolarHBondContact O-N 3.05Å; N152-V155 PolarHBondContact O-N 2.66Å; N152-K156 PolarHBondContact O-N 3.07Å
153	T	92.5	Very high	94.1	Very high	85 Å²	85	43 Å²	43	52%	0.521	22%	0.218	S	C	.	.	H	α-helix	trans	-62.8	-35.1	176.3	-40.1	0	0	0	0	112.2	Y126 I151 K156 M157	Y126-T153 WeakPolarHBondContact OH-CB 3.49Å; Y126-T153 WeakPolarHBondContact OH-CG2 3.47Å; I151-T153 VanDerWaalsContact C-N 3.28Å; I151-T153 PolarHBondContact O-N 3.41Å; T153-K156 PolarHBondContact O-N 2.91Å; T153-M157 HydrophobicContact CG2-CE 4.15Å; T153-M157 WeakPolarHBondContact O-CE 3.45Å; T153-M157 WeakPolarHBondContact O-CG 3.4Å; T153-M157 PolarHBondContact O-N 3.36Å
154	L	93.2	Very high	94.1	Very high	0 Å²	0	50.4 Å²	50.4	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-72.3	-39.2	176.3	-177.7	61.8	0	0	0	111.4	A123 Y126 L132 T142 A146 I151 N152 K156 M157 C158	A123-L154 HydrophobicContact CB-CD2 4.03Å; Y126-L154 HydrophobicContact CD1-CB 4.29Å; Y126-L154 HydrophobicContact CD1-CD2 4.44Å; Y126-L154 HydrophobicContact CE1-CB 4.33Å; Y126-L154 HydrophobicContact CG-CD1 4.3Å; L132-L154 HydrophobicContact CD1-CD1 3.37Å; L132-L154 HydrophobicContact CD2-CD1 3.78Å; L132-L154 HydrophobicContact CG-CD1 4.2Å; T142-L154 HydrophobicContact CG2-CD1 4.16Å; T142-L154 HydrophobicContact CG2-CD2 4.42Å; T142-L154 HydrophobicContact CG2-CG 4.39Å; A146-L154 HydrophobicContact CB-CB 3.93Å; A146-L154 HydrophobicContact CB-CD2 3.67Å; A146-L154 HydrophobicContact CB-CG 3.64Å; I151-L154 HydrophobicContact CB-CB 3.98Å; I151-L154 HydrophobicContact CD1-CD2 4.44Å; I151-L154 HydrophobicContact CG2-CB 3.57Å; I151-L154 WeakPolarHBondContact O-CA 3.47Å; I151-L154 WeakPolarHBondContact O-CB 3.46Å; I151-L154 PolarHBondContact O-N 3.37Å; N152-L154 VanDerWaalsContact C-N 3.28Å; N152-L154 PolarHBondContact O-N 3.05Å; L154-K156 VanDerWaalsContact C-N 3.33Å; L154-M157 HydrophobicContact CD1-CE 4.45Å; L154-M157 PolarHBondContact O-N 3.09Å; L154-C158 PolarHBondContact O-N 2.95Å; L154-C158 PolarHBondContact O-SG 3.42Å
155	V	94.3	Very high	94	Very high	20 Å²	20	53.1 Å²	53.1	12%	0.121	26%	0.26	C	S	.	.	H	α-helix	trans	-58.7	-47.1	171.2	-179	0	0	0	0	110	A146 R147 I151 N152 C158 S159 L183	A146-V155 HydrophobicContact CB-CG2 3.63Å; R147-V155 HydrophobicContact CG-CG2 3.88Å; I151-V155 PolarHBondContact O-N 3.49Å; I151-V155 VanDerWaalsContact O-N 3.13Å; N152-V155 PolarHBondContact O-N 2.66Å; V155-C158 WeakPolarHBondContact O-CB 3.21Å; V155-C158 PolarHBondContact O-N 3.43Å; V155-S159 PolarHBondContact O-N 3.37Å; V155-S159 PolarHBondContact O-OG 2.83Å; V155-L183 HydrophobicContact CG1-CD2 3.61Å
156	K	93.7	Very high	94	Very high	134 Å²	134	54.7 Å²	54.7	58%	0.583	27%	0.268	S	S	*	.	H	α-helix	trans	-59.1	-50.2	177.6	-177.8	171.9	179.6	175	0	112.6	N152 T153 L154 C158 S159 D160	N152-K156 PolarHBondContact O-N 3.07Å; T153-K156 PolarHBondContact O-N 2.91Å; L154-K156 VanDerWaalsContact C-N 3.33Å; K156-C158 PolarHBondContact O-N 2.86Å; K156-S159 WeakPolarHBondContact O-CA 3.38Å; K156-S159 WeakPolarHBondContact O-CB 3.4Å; K156-S159 PolarHBondContact O-N 2.96Å; K156-D160 WeakPolarHBondContact CG-OD2 3.32Å; K156-D160 VanDerWaalsContact O-CG 3.3Å; K156-D160 PolarHBondContact O-N 3.19Å
157	M	93.5	Very high	94	Very high	56 Å²	56	56.4 Å²	56.4	28%	0.276	28%	0.28	S	S	.	.	H	α-helix	trans	-61.1	-32.3	177.9	-72.4	-178.1	-74.7	0	0	112.9	Y126 L132 T153 L154 F161	Y126-M157 HydrophobicContact CD2-CE 3.8Å; Y126-M157 HydrophobicContact CE2-CE 3.24Å; Y126-M157 HydrophobicContact CE2-SD 4.47Å; L132-M157 HydrophobicContact CD1-CB 4.39Å; L132-M157 HydrophobicContact CD1-CE 3.57Å; L132-M157 HydrophobicContact CD1-SD 3.82Å; T153-M157 HydrophobicContact CG2-CE 4.15Å; T153-M157 WeakPolarHBondContact O-CE 3.45Å; T153-M157 WeakPolarHBondContact O-CG 3.4Å; T153-M157 PolarHBondContact O-N 3.36Å; L154-M157 HydrophobicContact CD1-CE 4.45Å; L154-M157 PolarHBondContact O-N 3.09Å; M157-F161 WeakPolarHBondContact O-CB 3.47Å; M157-F161 PolarHBondContact O-N 2.78Å; M157-F161 VanDerWaalsContact O-N 3.08Å
158	C	94.7	Very high	94	Very high	0 Å²	0	52.1 Å²	52.1	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-68.7	-40.9	172.7	-65	0	0	0	0	112.1	I139 I143 L154 V155 K156 L162	I139-C158 HydrophobicContact CD1-CB 3.72Å; I139-C158 HydrophobicContact CG1-CB 4.5Å; I143-C158 HydrophobicContact CD1-CB 4.12Å; I143-C158 HydrophobicContact CG1-CB 3.53Å; L154-C158 PolarHBondContact O-N 2.95Å; L154-C158 PolarHBondContact O-SG 3.42Å; V155-C158 WeakPolarHBondContact O-CB 3.21Å; V155-C158 PolarHBondContact O-N 3.43Å; K156-C158 PolarHBondContact O-N 2.86Å; C158-L162 VanDerWaalsContact O-CG 3.32Å; C158-L162 WeakPolarHBondContact O-CG 3.36Å; C158-L162 PolarHBondContact O-N 2.88Å
159	S	95.2	Very high	93.9	Very high	15 Å²	15	55.9 Å²	55.9	11%	0.105	28%	0.281	C	S	.	.	H	α-helix	trans	-63.3	-45.1	174.4	-60.9	0	0	0	0	112.2	V155 K156 F161 L162 M163 T186	V155-S159 PolarHBondContact O-N 3.37Å; V155-S159 PolarHBondContact O-OG 2.83Å; K156-S159 WeakPolarHBondContact O-CA 3.38Å; K156-S159 WeakPolarHBondContact O-CB 3.4Å; K156-S159 PolarHBondContact O-N 2.96Å; S159-F161 PolarHBondContact O-N 3.15Å; S159-L162 PolarHBondContact O-N 3.37Å; S159-M163 WeakPolarHBondContact O-CG 3.37Å; S159-M163 PolarHBondContact O-N 3.36Å; S159-T186 WeakPolarHBondContact CB-OG1 3.33Å
160	D	94.5	Very high	93.7	Very high	70 Å²	70	56.8 Å²	56.8	37%	0.374	29%	0.286	S	S	.	.	H	α-helix	trans	-61.7	-43.9	178.2	-66.2	-23.9	0	0	0	110.8	K156 M163 Q164	K156-D160 WeakPolarHBondContact CG-OD2 3.32Å; K156-D160 VanDerWaalsContact O-CG 3.3Å; K156-D160 PolarHBondContact O-N 3.19Å; D160-M163 PolarHBondContact O-N 3.23Å; D160-Q164 WeakPolarHBondContact O-CB 3.34Å; D160-Q164 PolarHBondContact O-N 3.46Å
161	F	95.2	Very high	93.6	Very high	36 Å²	36	52.6 Å²	52.6	16%	0.158	27%	0.267	C	S	.	.	H	α-helix	trans	-61.1	-45	173.8	172.3	-103	0	0	0	112.8	L134 L136 I139 M157 S159 M163 Q164 E165	L134-F161 HydrophobicContact CB-CD1 3.85Å; L134-F161 HydrophobicContact CB-CD2 4Å; L134-F161 HydrophobicContact CB-CE1 3.93Å; L134-F161 HydrophobicContact CB-CE2 4.07Å; L134-F161 HydrophobicContact CB-CG 3.88Å; L134-F161 HydrophobicContact CB-CZ 4.04Å; L134-F161 HydrophobicContact CD1-CB 3.65Å; L134-F161 HydrophobicContact CD1-CD1 4.15Å; L134-F161 HydrophobicContact CD1-CD2 4.45Å; L134-F161 HydrophobicContact CD1-CG 3.83Å; L136-F161 HydrophobicContact CD2-CE1 4.12Å; L136-F161 HydrophobicContact CG-CE1 4.5Å; I139-F161 HydrophobicContact CD1-CD1 3.78Å; I139-F161 HydrophobicContact CD1-CE1 4.28Å; I139-F161 HydrophobicContact CG1-CD1 4.17Å; I139-F161 HydrophobicContact CG1-CE1 4.44Å; M157-F161 WeakPolarHBondContact O-CB 3.47Å; M157-F161 PolarHBondContact O-N 2.78Å; M157-F161 VanDerWaalsContact O-N 3.08Å; S159-F161 PolarHBondContact O-N 3.15Å; F161-M163 VanDerWaalsContact C-N 3.27Å; F161-M163 PolarHBondContact O-N 3.08Å; F161-Q164 PolarHBondContact O-N 3.19Å; F161-E165 HydrophobicContact CD2-CG 3.95Å; F161-E165 HydrophobicContact CE1-CG 4.37Å; F161-E165 HydrophobicContact CE2-CG 3.51Å; F161-E165 HydrophobicContact CZ-CG 3.75Å; F161-E165 PolarHBondContact O-N 2.91Å
162	L	95.5	Very high	93.3	Very high	0 Å²	0	53.3 Å²	53.3	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-62.4	-33.4	176.7	-76.8	173.2	0	0	0	112.9	L136 I139 I143 C158 S159 V174 I177 L183 T186	L136-L162 HydrophobicContact CD2-CD2 4.05Å; I139-L162 HydrophobicContact CG1-CD1 4.42Å; I139-L162 HydrophobicContact CG1-CD2 4.11Å; I139-L162 HydrophobicContact CG1-CG 4.12Å; I139-L162 HydrophobicContact CG2-CD2 4.12Å; I143-L162 HydrophobicContact CD1-CD1 3.84Å; C158-L162 VanDerWaalsContact O-CG 3.32Å; C158-L162 WeakPolarHBondContact O-CG 3.36Å; C158-L162 PolarHBondContact O-N 2.88Å; S159-L162 PolarHBondContact O-N 3.37Å; L162-V174 HydrophobicContact CB-CG1 4.04Å; L162-V174 HydrophobicContact CD2-CG1 4.32Å; L162-V174 HydrophobicContact CD2-CG2 4.13Å; L162-I177 HydrophobicContact CD1-CG2 3.85Å; L162-L183 HydrophobicContact CD1-CD1 4.23Å; L162-T186 HydrophobicContact CB-CG2 3.81Å; L162-T186 HydrophobicContact CD1-CG2 4.21Å
163	M	94.1	Very high	93.1	Very high	67 Å²	67	51.4 Å²	51.4	33%	0.33	25%	0.254	S	S	.	.	H	α-helix	trans	-75.5	-34.2	174.8	-68.9	-175	-66.3	0	0	112.4	S159 D160 F161 L166 T186 A189	S159-M163 WeakPolarHBondContact O-CG 3.37Å; S159-M163 PolarHBondContact O-N 3.36Å; D160-M163 PolarHBondContact O-N 3.23Å; F161-M163 VanDerWaalsContact C-N 3.27Å; F161-M163 PolarHBondContact O-N 3.08Å; M163-L166 WeakPolarHBondContact O-CB 3.47Å; M163-T186 HydrophobicContact CG-CG2 4.14Å; M163-A189 HydrophobicContact CG-CB 4.46Å; M163-A189 HydrophobicContact SD-CB 4.32Å
164	Q	93.9	Very high	93.1	Very high	154 Å²	154	47.4 Å²	47.4	72%	0.72	23%	0.23	S	C	*	.	H	α-helix	trans	-71.2	-40.3	178.5	-178.9	174.1	-10.8	0	0	112.9	D160 F161 L166	D160-Q164 WeakPolarHBondContact O-CB 3.34Å; D160-Q164 PolarHBondContact O-N 3.46Å; F161-Q164 PolarHBondContact O-N 3.19Å; Q164-L166 VanDerWaalsContact C-N 3.25Å; Q164-L166 PolarHBondContact O-N 3.18Å
165	E	93.2	Very high	93	Very high	88 Å²	88	47.8 Å²	47.8	41%	0.411	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.6	4.3	-179.5	-64.2	-62.5	125.5	0	0	113.5	F161 S167 N170	F161-E165 HydrophobicContact CD2-CG 3.95Å; F161-E165 HydrophobicContact CE1-CG 4.37Å; F161-E165 HydrophobicContact CE2-CG 3.51Å; F161-E165 HydrophobicContact CZ-CG 3.75Å; F161-E165 PolarHBondContact O-N 2.91Å; E165-S167 PolarHBondContact O-N 3.46Å; E165-N170 PolarHBondContact O-ND2 3.02Å; E165-N170 PolarHBondContact O-OD1 2.83Å
166	L	94.1	Very high	92.8	Very high	32 Å²	32	50.4 Å²	50.4	17%	0.168	25%	0.246	C	C	.	.			trans	-64.5	116.1	-172.5	-174.9	62.8	0	0	0	112.2	M163 Q164 C171 V174 A190 F193	M163-L166 WeakPolarHBondContact O-CB 3.47Å; Q164-L166 VanDerWaalsContact C-N 3.25Å; Q164-L166 PolarHBondContact O-N 3.18Å; L166-C171 HydrophobicContact CD1-CB 3.78Å; L166-V174 HydrophobicContact CD1-CB 4.06Å; L166-V174 HydrophobicContact CD1-CG1 4.17Å; L166-V174 HydrophobicContact CD1-CG2 4.14Å; L166-A190 HydrophobicContact CD1-CB 4.22Å; L166-F193 HydrophobicContact CD1-CD1 4.48Å; L166-F193 HydrophobicContact CD2-CB 3.61Å; L166-F193 HydrophobicContact CD2-CD1 4.37Å; L166-F193 HydrophobicContact CD2-CD2 3.96Å; L166-F193 HydrophobicContact CD2-CG 3.73Å; L166-F193 HydrophobicContact CG-CB 4.27Å; L166-F193 HydrophobicContact CG-CD1 4.1Å; L166-F193 HydrophobicContact CG-CD2 4.14Å; L166-F193 HydrophobicContact CG-CG 3.91Å
167	S	94.1	Very high	92.8	Very high	37 Å²	37	44.8 Å²	44.8	26%	0.259	22%	0.222	S	C	.	.			trans	-134.5	166	-179.7	82.8	0	0	0	0	111.7	E165 E169 N170 C171	E165-S167 PolarHBondContact O-N 3.46Å; S167-E169 PolarHBondContact O-N 2.95Å; S167-E169 PolarHBondContact OG-N 3.26Å; S167-N170 PolarHBondContact N-OD1 3.27Å; S167-N170 PolarHBondContact O-N 3.08Å; S167-N170 VanDerWaalsContact O-N 3.12Å; S167-N170 PolarHBondContact O-OD1 3.39Å; S167-N170 PolarHBondContact OG-N 2.84Å; S167-N170 PolarHBondContact OG-ND2 3.3Å; S167-C171 WeakPolarHBondContact O-CB 3.36Å; S167-C171 PolarHBondContact O-N 2.64Å
168	V	92.8	Very high	92.8	Very high	15 Å²	15	42.1 Å²	42.1	9%	0.091	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.6	-31.4	176.9	-176.3	0	0	0	0	111.3	N170 C171 F193 N197 E200 F201 M204	V168-N170 VanDerWaalsContact C-N 3.35Å; V168-N170 PolarHBondContact O-N 3.04Å; V168-C171 PolarHBondContact O-SG 3.36Å; V168-C171 VanDerWaalsContact O-SG 3.32Å; V168-F193 HydrophobicContact CG2-CE1 3.95Å; V168-F193 HydrophobicContact CG2-CZ 4.18Å; V168-N197 HydrophobicContact CG2-CB 4.17Å; V168-E200 HydrophobicContact CG1-CB 4.24Å; V168-E200 HydrophobicContact CG1-CG 4.1Å; V168-E200 HydrophobicContact CG2-CG 4.38Å; V168-F201 HydrophobicContact CG1-CB 4.03Å; V168-M204 HydrophobicContact CG1-CE 4.18Å; V168-M204 HydrophobicContact CG1-CG 3.96Å
169	E	90.7	Very high	92.6	Very high	143 Å²	143	46.5 Å²	46.5	67%	0.668	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	-73.9	-18.5	178.1	-58.4	177.8	169.2	0	0	114.2	S167 Q206	S167-E169 PolarHBondContact O-N 2.95Å; S167-E169 PolarHBondContact OG-N 3.26Å; E169-Q206 VanDerWaalsContact O-CD 3.29Å; E169-Q206 PolarHBondContact O-NE2 3.2Å; E169-Q206 PolarHBondContact O-OE1 2.87Å
170	N	90.6	Very high	92.5	Very high	20 Å²	20	49.5 Å²	49.5	11%	0.107	26%	0.258	C	S	.	.	T	Hydrogen-bonded Turn	trans	-129.6	-6.2	-175.2	72.1	29	0	0	0	114.9	L136 E165 S167 V168 M172 Y173 V174	L136-N170 HydrophobicContact CD1-CB 4.4Å; E165-N170 PolarHBondContact O-ND2 3.02Å; E165-N170 PolarHBondContact O-OD1 2.83Å; S167-N170 PolarHBondContact N-OD1 3.27Å; S167-N170 PolarHBondContact O-N 3.08Å; S167-N170 VanDerWaalsContact O-N 3.12Å; S167-N170 PolarHBondContact O-OD1 3.39Å; S167-N170 PolarHBondContact OG-N 2.84Å; S167-N170 PolarHBondContact OG-ND2 3.3Å; V168-N170 VanDerWaalsContact C-N 3.35Å; V168-N170 PolarHBondContact O-N 3.04Å; N170-M172 VanDerWaalsContact C-N 3.27Å; N170-M172 PolarHBondContact O-N 3.42Å; N170-M172 VanDerWaalsContact O-N 3.15Å; N170-Y173 WeakPolarHBondContact O-CA 3.5Å; N170-Y173 VanDerWaalsContact O-CB 3.31Å; N170-Y173 WeakPolarHBondContact O-CB 3.39Å; N170-Y173 PolarHBondContact O-N 2.98Å; N170-V174 WeakPolarHBondContact O-CG2 3.49Å; N170-V174 PolarHBondContact O-N 3.34Å
171	C	91.6	Very high	92.4	Very high	1 Å²	1	49.4 Å²	49.4	1%	0.007	25%	0.253	C	S	.	.	H	α-helix	trans	-54.5	-37.8	-175.3	57.1	0	0	0	0	114.3	L166 S167 V168 V174 A175 F193 M194	L166-C171 HydrophobicContact CD1-CB 3.78Å; S167-C171 WeakPolarHBondContact O-CB 3.36Å; S167-C171 PolarHBondContact O-N 2.64Å; V168-C171 PolarHBondContact O-SG 3.36Å; V168-C171 VanDerWaalsContact O-SG 3.32Å; C171-V174 PolarHBondContact O-N 2.9Å; C171-A175 WeakPolarHBondContact O-CB 3.3Å; C171-A175 PolarHBondContact O-N 3.5Å; C171-F193 HydrophobicContact CB-CD1 3.9Å; C171-F193 HydrophobicContact CB-CE1 4.26Å; C171-M194 HydrophobicContact CB-CG 3.74Å; C171-M194 HydrophobicContact CB-SD 4.38Å; C171-M194 WeakPolarHBondContact SG-CG 3.38Å
172	M	88.3	Confident	92.3	Very high	19 Å²	19	51.8 Å²	51.8	9%	0.094	27%	0.267	C	S	.	.	H	α-helix	trans	-68.6	-38.8	175.2	-167.7	64.9	-124.4	0	0	112.3	N170 A175 N176 M194 F201 L210	N170-M172 VanDerWaalsContact C-N 3.27Å; N170-M172 PolarHBondContact O-N 3.42Å; N170-M172 VanDerWaalsContact O-N 3.15Å; M172-A175 PolarHBondContact O-N 3.2Å; M172-N176 WeakPolarHBondContact CE-OD1 3.49Å; M172-N176 WeakPolarHBondContact O-CB 3.41Å; M172-N176 VanDerWaalsContact O-CG 3.27Å; M172-N176 PolarHBondContact O-N 3.46Å; M172-N176 PolarHBondContact O-ND2 2.87Å; M172-M194 HydrophobicContact CB-SD 4.4Å; M172-M194 HydrophobicContact SD-CE 4.45Å; M172-M194 HydrophobicContact SD-SD 3.95Å; M172-F201 HydrophobicContact CB-CE2 4.1Å; M172-F201 HydrophobicContact CB-CZ 4.02Å; M172-F201 HydrophobicContact CG-CZ 4.37Å; M172-F201 HydrophobicContact SD-CZ 4.29Å; M172-L210 HydrophobicContact CE-CD2 4.44Å; M172-L210 HydrophobicContact CG-CD2 4.21Å; M172-L210 HydrophobicContact SD-CD2 3.42Å; M172-L210 WeakPolarHBondContact SD-CD2 3.4Å
173	Y	89.8	Confident	92.2	Very high	88 Å²	88	52.3 Å²	52.3	35%	0.345	27%	0.27	S	S	.	.	H	α-helix	trans	-64.6	-45.2	174.3	174.5	-99.2	0	0	0	111.4	L136 I139 N170 N176 I177	L136-Y173 HydrophobicContact CB-CE1 4.27Å; L136-Y173 HydrophobicContact CD2-CE1 4.34Å; L136-Y173 PolarHBondContact O-OH 3.36Å; I139-Y173 HydrophobicContact CG2-CE1 4.43Å; N170-Y173 WeakPolarHBondContact O-CA 3.5Å; N170-Y173 VanDerWaalsContact O-CB 3.31Å; N170-Y173 WeakPolarHBondContact O-CB 3.39Å; N170-Y173 PolarHBondContact O-N 2.98Å; Y173-N176 PolarHBondContact O-N 3.41Å; Y173-I177 HydrophobicContact CD1-CD1 4.43Å; Y173-I177 HydrophobicContact CE1-CD1 3.62Å; Y173-I177 HydrophobicContact CE1-CG1 4.42Å; Y173-I177 HydrophobicContact CE2-CD1 3.91Å; Y173-I177 HydrophobicContact CE2-CG1 4.34Å; Y173-I177 PolarHBondContact O-N 3.32Å; Y173-I177 WeakPolarHBondContact OH-CD1 3.42Å
174	V	92.9	Very high	92.2	Very high	1 Å²	1	55.5 Å²	55.5	1%	0.006	28%	0.282	C	S	.	.	H	α-helix	trans	-60.1	-46.4	175.7	176	0	0	0	0	110.8	L162 L166 N170 C171 I177 A178 T186 A190	L162-V174 HydrophobicContact CB-CG1 4.04Å; L162-V174 HydrophobicContact CD2-CG1 4.32Å; L162-V174 HydrophobicContact CD2-CG2 4.13Å; L166-V174 HydrophobicContact CD1-CB 4.06Å; L166-V174 HydrophobicContact CD1-CG1 4.17Å; L166-V174 HydrophobicContact CD1-CG2 4.14Å; N170-V174 WeakPolarHBondContact O-CG2 3.49Å; N170-V174 PolarHBondContact O-N 3.34Å; C171-V174 PolarHBondContact O-N 2.9Å; V174-I177 PolarHBondContact O-N 3.49Å; V174-A178 VanDerWaalsContact O-CB 3.28Å; V174-A178 WeakPolarHBondContact O-CB 3.35Å; V174-A178 PolarHBondContact O-N 2.94Å; V174-T186 HydrophobicContact CG1-CG2 3.89Å; V174-A190 HydrophobicContact CB-CB 4.5Å; V174-A190 HydrophobicContact CG1-CB 4.11Å
175	A	91.1	Very high	92.2	Very high	7 Å²	7	55.4 Å²	55.4	6%	0.058	28%	0.282	C	S	.	.	H	α-helix	trans	-63	-42.3	177.9	0	0	0	0	0	112.9	C171 M172 A178 D179 A190 M194	C171-A175 WeakPolarHBondContact O-CB 3.3Å; C171-A175 PolarHBondContact O-N 3.5Å; M172-A175 PolarHBondContact O-N 3.2Å; A175-A178 PolarHBondContact O-N 2.92Å; A175-D179 WeakPolarHBondContact O-CB 3.13Å; A175-D179 PolarHBondContact O-N 2.88Å; A175-A190 HydrophobicContact CB-CB 3.9Å; A175-M194 HydrophobicContact CB-CE 3.46Å; A175-M194 VanDerWaalsContact CB-CE 3.46Å
176	N	90.1	Very high	92.3	Very high	75 Å²	75	51.4 Å²	51.4	40%	0.401	26%	0.263	S	S	.	.	H	α-helix	trans	-65.3	-40.1	176.8	-75.6	-29	0	0	0	112.3	M172 Y173 D179 A180	M172-N176 WeakPolarHBondContact CE-OD1 3.49Å; M172-N176 WeakPolarHBondContact O-CB 3.41Å; M172-N176 VanDerWaalsContact O-CG 3.27Å; M172-N176 PolarHBondContact O-N 3.46Å; M172-N176 PolarHBondContact O-ND2 2.87Å; Y173-N176 PolarHBondContact O-N 3.41Å; N176-D179 PolarHBondContact O-N 3.17Å; N176-A180 VanDerWaalsContact O-CB 3.28Å; N176-A180 WeakPolarHBondContact O-CB 3.4Å; N176-A180 PolarHBondContact O-N 3.28Å
177	I	92.2	Very high	92.2	Very high	16 Å²	16	52.8 Å²	52.8	8%	0.082	27%	0.268	C	S	.	.	H	α-helix	trans	-66.3	-42.6	173.4	-81	-164.2	0	0	0	111.1	I139 I143 L162 Y173 V174 D179 A180 Y181	I139-I177 HydrophobicContact CG2-CD1 3.82Å; I143-I177 HydrophobicContact CD1-CG2 3.75Å; L162-I177 HydrophobicContact CD1-CG2 3.85Å; Y173-I177 HydrophobicContact CD1-CD1 4.43Å; Y173-I177 HydrophobicContact CE1-CD1 3.62Å; Y173-I177 HydrophobicContact CE1-CG1 4.42Å; Y173-I177 HydrophobicContact CE2-CD1 3.91Å; Y173-I177 HydrophobicContact CE2-CG1 4.34Å; Y173-I177 PolarHBondContact O-N 3.32Å; Y173-I177 WeakPolarHBondContact OH-CD1 3.42Å; V174-I177 PolarHBondContact O-N 3.49Å; I177-D179 VanDerWaalsContact C-N 3.3Å; I177-D179 PolarHBondContact O-N 2.93Å; I177-A180 PolarHBondContact O-N 3.02Å; I177-Y181 HydrophobicContact CG2-CD2 4.06Å; I177-Y181 HydrophobicContact CG2-CE2 4.48Å; I177-Y181 WeakPolarHBondContact O-CD2 3.41Å; I177-Y181 PolarHBondContact O-N 3.5Å; I177-Y181 VanDerWaalsContact O-N 3.08Å
178	A	94	Very high	92.1	Very high	0 Å²	0	57 Å²	57	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-62.7	-38.1	178	0	0	0	0	0	111.7	V174 A175 D182 L183 T186 K187	V174-A178 VanDerWaalsContact O-CB 3.28Å; V174-A178 WeakPolarHBondContact O-CB 3.35Å; V174-A178 PolarHBondContact O-N 2.94Å; A175-A178 PolarHBondContact O-N 2.92Å; A178-D182 WeakPolarHBondContact O-CA 3.41Å; A178-D182 PolarHBondContact O-N 3.04Å; A178-L183 HydrophobicContact CB-CB 4.08Å; A178-L183 PolarHBondContact O-N 3.27Å; A178-T186 HydrophobicContact CB-CG2 4.07Å; A178-K187 HydrophobicContact CB-CB 3.76Å
179	D	91.8	Very high	92.2	Very high	92 Å²	92	57.9 Å²	57.9	49%	0.492	29%	0.292	S	S	.	.	H	α-helix	trans	-68.8	-50.3	174.4	-164.2	52.8	0	0	0	112.5	A175 N176 I177 Y181 D182 K187	A175-D179 WeakPolarHBondContact O-CB 3.13Å; A175-D179 PolarHBondContact O-N 2.88Å; N176-D179 PolarHBondContact O-N 3.17Å; I177-D179 VanDerWaalsContact C-N 3.3Å; I177-D179 PolarHBondContact O-N 2.93Å; D179-Y181 PolarHBondContact O-N 2.9Å; D179-Y181 VanDerWaalsContact O-N 3.09Å; D179-D182 PolarHBondContact O-N 3.48Å; D179-D182 VanDerWaalsContact O-N 3.07Å; D179-K187 HydrophobicContact CB-CD 4.14Å; D179-K187 WeakPolarHBondContact OD1-CE 3.1Å; D179-K187 IonicContact OD1-NZ 3.94Å; D179-K187 PolarHBondContact OD1-NZ 2.75Å
180	A	92.2	Very high	92.2	Very high	78 Å²	78	51 Å²	51	65%	0.645	26%	0.26	S	S	*	.	H	α-helix	trans	-59.1	-26	-179.6	0	0	0	0	0	113.8	N176 I177	N176-A180 VanDerWaalsContact O-CB 3.28Å; N176-A180 WeakPolarHBondContact O-CB 3.4Å; N176-A180 PolarHBondContact O-N 3.28Å; I177-A180 PolarHBondContact O-N 3.02Å
181	Y	92.3	Very high	92.2	Very high	68 Å²	68	52 Å²	52	27%	0.267	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	-115.5	20.8	177.3	-62.2	-69.9	0	0	0	114	G140 I143 A144 R147 I177 D179 L183	G140-Y181 PolarHBondContact O-OH 3.14Å; G140-Y181 VanDerWaalsContact O-OH 3.13Å; I143-Y181 HydrophobicContact CB-CD2 4.22Å; I143-Y181 HydrophobicContact CB-CG 4.29Å; I143-Y181 HydrophobicContact CG2-CD1 3.88Å; I143-Y181 HydrophobicContact CG2-CD2 3.83Å; I143-Y181 HydrophobicContact CG2-CG 3.47Å; I143-Y181 VanDerWaalsContact CG2-CG 3.47Å; A144-Y181 HydrophobicContact CB-CE1 3.76Å; R147-Y181 WeakPolarHBondContact CD-O 3.39Å; R147-Y181 PolarHBondContact NE-O 2.95Å; R147-Y181 PolarHBondContact NH1-O 3Å; I177-Y181 HydrophobicContact CG2-CD2 4.06Å; I177-Y181 HydrophobicContact CG2-CE2 4.48Å; I177-Y181 WeakPolarHBondContact O-CD2 3.41Å; I177-Y181 PolarHBondContact O-N 3.5Å; I177-Y181 VanDerWaalsContact O-N 3.08Å; D179-Y181 PolarHBondContact O-N 2.9Å; D179-Y181 VanDerWaalsContact O-N 3.09Å; Y181-L183 VanDerWaalsContact C-N 3.31Å; Y181-L183 WeakPolarHBondContact O-CD2 3.31Å; Y181-L183 PolarHBondContact O-N 3.2Å
182	D	92.6	Very high	92.1	Very high	86 Å²	86	57.4 Å²	57.4	46%	0.46	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	45.7	49.2	175.7	-174.1	43.5	0	0	0	113.6	R147 A178 D179 K184	R147-D182 PolarHBondContact NH1-O 3.21Å; R147-D182 IonicContact NH2-OD2 2.72Å; A178-D182 WeakPolarHBondContact O-CA 3.41Å; A178-D182 PolarHBondContact O-N 3.04Å; D179-D182 PolarHBondContact O-N 3.48Å; D179-D182 VanDerWaalsContact O-N 3.07Å; D182-K184 WeakPolarHBondContact OD1-CE 3.32Å; D182-K184 IonicContact OD1-NZ 3.28Å
183	L	94.1	Very high	92.4	Very high	12 Å²	12	59 Å²	59	6%	0.063	29%	0.294	C	S	.	.			trans	-97.4	74.7	176.1	-53.2	-177.8	0	0	0	109.5	I143 V155 L162 A178 Y181 E185 T186 K187	I143-L183 HydrophobicContact CD1-CD1 3.97Å; I143-L183 HydrophobicContact CG2-CD1 4.34Å; V155-L183 HydrophobicContact CG1-CD2 3.61Å; L162-L183 HydrophobicContact CD1-CD1 4.23Å; A178-L183 HydrophobicContact CB-CB 4.08Å; A178-L183 PolarHBondContact O-N 3.27Å; Y181-L183 VanDerWaalsContact C-N 3.31Å; Y181-L183 WeakPolarHBondContact O-CD2 3.31Å; Y181-L183 PolarHBondContact O-N 3.2Å; L183-E185 PolarHBondContact O-N 3.25Å; L183-T186 PolarHBondContact O-N 3.38Å; L183-K187 PolarHBondContact O-N 2.91Å
184	K	93.6	Very high	92.4	Very high	133 Å²	133	55 Å²	55	58%	0.578	28%	0.279	S	S	*	.	H	α-helix	trans	-54.8	-49.9	-168.2	-60.6	-179.2	-175.2	178.7	0	113.8	D182 T186 K187 E188	D182-K184 WeakPolarHBondContact OD1-CE 3.32Å; D182-K184 IonicContact OD1-NZ 3.28Å; K184-T186 PolarHBondContact O-N 2.86Å; K184-K187 PolarHBondContact O-N 2.86Å; K184-E188 WeakPolarHBondContact O-CG 3.46Å; K184-E188 PolarHBondContact O-N 2.88Å
185	E	94.1	Very high	92.1	Very high	153 Å²	153	58.4 Å²	58.4	72%	0.715	29%	0.291	S	S	*	.	H	α-helix	trans	-58.6	-45.5	179	-63.8	174.5	-174.1	0	0	112	L183 E188 A189	L183-E185 PolarHBondContact O-N 3.25Å; E185-E188 PolarHBondContact O-N 2.95Å; E185-A189 WeakPolarHBondContact O-CB 3.28Å; E185-A189 PolarHBondContact O-N 2.76Å
186	T	94.7	Very high	92	Very high	3 Å²	3	63.3 Å²	63.3	2%	0.018	31%	0.313	C	S	.	.	H	α-helix	trans	-66.3	-38.1	177.1	-49.9	0	0	0	0	111.9	S159 L162 M163 V174 A178 L183 K184 A190	S159-T186 WeakPolarHBondContact CB-OG1 3.33Å; L162-T186 HydrophobicContact CB-CG2 3.81Å; L162-T186 HydrophobicContact CD1-CG2 4.21Å; M163-T186 HydrophobicContact CG-CG2 4.14Å; V174-T186 HydrophobicContact CG1-CG2 3.89Å; A178-T186 HydrophobicContact CB-CG2 4.07Å; L183-T186 PolarHBondContact O-N 3.38Å; K184-T186 PolarHBondContact O-N 2.86Å; T186-A190 WeakPolarHBondContact O-CB 3.37Å; T186-A190 PolarHBondContact O-N 2.95Å
187	K	93.1	Very high	92.1	Very high	61 Å²	61	60.8 Å²	60.8	27%	0.265	30%	0.3	S	S	.	.	H	α-helix	trans	-64.6	-48.3	176.3	-174.2	-177.4	176.5	-178.5	0	110.9	A178 D179 L183 K184 A189 A190 Q191	A178-K187 HydrophobicContact CB-CB 3.76Å; D179-K187 HydrophobicContact CB-CD 4.14Å; D179-K187 WeakPolarHBondContact OD1-CE 3.1Å; D179-K187 IonicContact OD1-NZ 3.94Å; D179-K187 PolarHBondContact OD1-NZ 2.75Å; L183-K187 PolarHBondContact O-N 2.91Å; K184-K187 PolarHBondContact O-N 2.86Å; K187-A189 PolarHBondContact O-N 2.99Å; K187-A190 PolarHBondContact O-N 3.49Å; K187-Q191 HydrophobicContact CG-CG 4.5Å; K187-Q191 WeakPolarHBondContact O-CB 3.41Å; K187-Q191 WeakPolarHBondContact O-CG 3.26Å; K187-Q191 PolarHBondContact O-N 2.69Å
188	E	92.4	Very high	92.1	Very high	125 Å²	125	60.1 Å²	60.1	58%	0.584	30%	0.296	S	S	*	.	H	α-helix	trans	-61.9	-42.4	178.1	-73.2	174.1	-161.1	0	0	111.6	K184 E185 K192	K184-E188 WeakPolarHBondContact O-CG 3.46Å; K184-E188 PolarHBondContact O-N 2.88Å; E185-E188 PolarHBondContact O-N 2.95Å; E188-K192 VanDerWaalsContact O-CB 3.28Å; E188-K192 WeakPolarHBondContact O-CB 3.32Å; E188-K192 PolarHBondContact O-N 3.14Å
189	A	93.3	Very high	92.1	Very high	34 Å²	34	63.2 Å²	63.2	28%	0.281	31%	0.312	S	S	.	.	H	α-helix	trans	-61.9	-46.7	174.4	0	0	0	0	0	112.3	M163 E185 K187 K192 F193	M163-A189 HydrophobicContact CG-CB 4.46Å; M163-A189 HydrophobicContact SD-CB 4.32Å; E185-A189 WeakPolarHBondContact O-CB 3.28Å; E185-A189 PolarHBondContact O-N 2.76Å; K187-A189 PolarHBondContact O-N 2.99Å; A189-K192 PolarHBondContact O-N 3.49Å; A189-F193 WeakPolarHBondContact O-CB 3.19Å; A189-F193 PolarHBondContact O-N 3.32Å
190	A	92.8	Very high	92.1	Very high	0 Å²	0	63.9 Å²	63.9	0%	0	31%	0.312	C	S	.	.	H	α-helix	trans	-65.3	-42	177.9	0	0	0	0	0	112.4	L166 V174 A175 T186 K187 F193 M194	L166-A190 HydrophobicContact CD1-CB 4.22Å; V174-A190 HydrophobicContact CB-CB 4.5Å; V174-A190 HydrophobicContact CG1-CB 4.11Å; A175-A190 HydrophobicContact CB-CB 3.9Å; T186-A190 WeakPolarHBondContact O-CB 3.37Å; T186-A190 PolarHBondContact O-N 2.95Å; K187-A190 PolarHBondContact O-N 3.49Å; A190-F193 PolarHBondContact O-N 2.86Å; A190-M194 WeakPolarHBondContact O-CG 3.42Å; A190-M194 PolarHBondContact O-N 2.76Å
191	Q	89.4	Confident	92.2	Very high	40 Å²	40	60.2 Å²	60.2	19%	0.187	28%	0.281	C	S	.	.	H	α-helix	trans	-63.9	-40	174	-75	-176.4	-43.7	0	0	112.3	K187 M194 R195 E217	K187-Q191 HydrophobicContact CG-CG 4.5Å; K187-Q191 WeakPolarHBondContact O-CB 3.41Å; K187-Q191 WeakPolarHBondContact O-CG 3.26Å; K187-Q191 PolarHBondContact O-N 2.69Å; Q191-M194 HydrophobicContact CG-CE 4.39Å; Q191-M194 PolarHBondContact O-N 3.35Å; Q191-R195 WeakPolarHBondContact O-CG 3.26Å; Q191-R195 PolarHBondContact O-N 3.13Å; Q191-E217 PolarHBondContact NE2-OE1 3.44Å
192	K	90.7	Very high	92.3	Very high	115 Å²	115	57 Å²	57	50%	0.5	27%	0.269	S	S	.	.	H	α-helix	trans	-62.2	-48.2	174	179.7	179.7	170.6	-178.1	0	111.2	E188 A189 M194 R195 E196	E188-K192 VanDerWaalsContact O-CB 3.28Å; E188-K192 WeakPolarHBondContact O-CB 3.32Å; E188-K192 PolarHBondContact O-N 3.14Å; A189-K192 PolarHBondContact O-N 3.49Å; K192-M194 VanDerWaalsContact C-N 3.32Å; K192-M194 PolarHBondContact O-N 3.38Å; K192-R195 PolarHBondContact O-N 3.37Å; K192-R195 VanDerWaalsContact O-N 3.16Å; K192-E196 WeakPolarHBondContact CE-OE1 3.3Å; K192-E196 IonicContact NZ-OE1 3.78Å; K192-E196 WeakPolarHBondContact O-CG 3.33Å; K192-E196 PolarHBondContact O-N 2.89Å
193	F	92.5	Very high	92.3	Very high	51 Å²	51	58.9 Å²	58.9	22%	0.224	28%	0.275	C	S	.	.	H	α-helix	trans	-60	-40.6	177.5	-176.7	-84.9	0	0	0	112.5	L166 V168 C171 A189 A190 E196 N197	L166-F193 HydrophobicContact CD1-CD1 4.48Å; L166-F193 HydrophobicContact CD2-CB 3.61Å; L166-F193 HydrophobicContact CD2-CD1 4.37Å; L166-F193 HydrophobicContact CD2-CD2 3.96Å; L166-F193 HydrophobicContact CD2-CG 3.73Å; L166-F193 HydrophobicContact CG-CB 4.27Å; L166-F193 HydrophobicContact CG-CD1 4.1Å; L166-F193 HydrophobicContact CG-CD2 4.14Å; L166-F193 HydrophobicContact CG-CG 3.91Å; V168-F193 HydrophobicContact CG2-CE1 3.95Å; V168-F193 HydrophobicContact CG2-CZ 4.18Å; C171-F193 HydrophobicContact CB-CD1 3.9Å; C171-F193 HydrophobicContact CB-CE1 4.26Å; A189-F193 WeakPolarHBondContact O-CB 3.19Å; A189-F193 PolarHBondContact O-N 3.32Å; A190-F193 PolarHBondContact O-N 2.86Å; F193-E196 PolarHBondContact O-N 3.14Å; F193-N197 PolarHBondContact O-N 3.13Å; F193-N197 PolarHBondContact O-ND2 3.46Å
194	M	90.6	Very high	92.2	Very high	5 Å²	5	61.1 Å²	61.1	3%	0.025	29%	0.286	C	S	.	.	H	α-helix	trans	-62.9	-40.8	174.4	-79.3	-173.2	-77.9	0	0	112.5	C171 M172 A175 A190 Q191 K192 F198 F201 F218	C171-M194 HydrophobicContact CB-CG 3.74Å; C171-M194 HydrophobicContact CB-SD 4.38Å; C171-M194 WeakPolarHBondContact SG-CG 3.38Å; M172-M194 HydrophobicContact CB-SD 4.4Å; M172-M194 HydrophobicContact SD-CE 4.45Å; M172-M194 HydrophobicContact SD-SD 3.95Å; A175-M194 HydrophobicContact CB-CE 3.46Å; A175-M194 VanDerWaalsContact CB-CE 3.46Å; A190-M194 WeakPolarHBondContact O-CG 3.42Å; A190-M194 PolarHBondContact O-N 2.76Å; Q191-M194 HydrophobicContact CG-CE 4.39Å; Q191-M194 PolarHBondContact O-N 3.35Å; K192-M194 VanDerWaalsContact C-N 3.32Å; K192-M194 PolarHBondContact O-N 3.38Å; M194-F198 WeakPolarHBondContact O-CA 3.29Å; M194-F198 WeakPolarHBondContact O-CB 3.14Å; M194-F198 PolarHBondContact O-N 2.97Å; M194-F201 HydrophobicContact SD-CE1 4.15Å; M194-F201 HydrophobicContact SD-CZ 4.15Å; M194-F218 HydrophobicContact CB-CE1 3.94Å; M194-F218 HydrophobicContact CB-CZ 3.9Å; M194-F218 HydrophobicContact SD-CZ 4.1Å
195	R	87.8	Confident	91.9	Very high	73 Å²	73	62 Å²	62	28%	0.275	29%	0.292	S	S	.	.	H	α-helix	trans	-65.9	-41	174.9	-73.3	-176.8	-68.1	-97.7	0.7	112.5	Q191 K192 N197 F218 D221	Q191-R195 WeakPolarHBondContact O-CG 3.26Å; Q191-R195 PolarHBondContact O-N 3.13Å; K192-R195 PolarHBondContact O-N 3.37Å; K192-R195 VanDerWaalsContact O-N 3.16Å; R195-N197 VanDerWaalsContact C-N 3.34Å; R195-N197 PolarHBondContact O-N 3.05Å; R195-F218 HydrophobicContact CG-CD1 4.29Å; R195-F218 HydrophobicContact CG-CE1 4.19Å; R195-D221 WeakPolarHBondContact CD-OD2 3.44Å
196	E	88.9	Confident	91.5	Very high	110 Å²	110	57.8 Å²	57.8	51%	0.514	27%	0.273	S	S	.	.	H	α-helix	trans	-70.6	-26.8	-178.7	-72.9	176.2	177.1	0	0	113.5	K192 F193	K192-E196 WeakPolarHBondContact CE-OE1 3.3Å; K192-E196 IonicContact NZ-OE1 3.78Å; K192-E196 WeakPolarHBondContact O-CG 3.33Å; K192-E196 PolarHBondContact O-N 2.89Å; F193-E196 PolarHBondContact O-N 3.14Å
197	N	91.4	Very high	91.4	Very high	22 Å²	22	57.7 Å²	57.7	12%	0.118	27%	0.272	C	S	.	.	T	Hydrogen-bonded Turn	trans	-119.9	25.8	-179.5	-52	-73.5	0	0	0	112.4	V168 F193 R195 I199 E200 F201 R619	V168-N197 HydrophobicContact CG2-CB 4.17Å; F193-N197 PolarHBondContact O-N 3.13Å; F193-N197 PolarHBondContact O-ND2 3.46Å; R195-N197 VanDerWaalsContact C-N 3.34Å; R195-N197 PolarHBondContact O-N 3.05Å; N197-I199 VanDerWaalsContact C-N 3.31Å; N197-I199 PolarHBondContact O-N 3.47Å; N197-E200 PolarHBondContact O-N 3.15Å; N197-E200 VanDerWaalsContact O-N 3.11Å; N197-F201 PolarHBondContact O-N 3.37Å; N197-R619 PolarHBondContact OD1-NH1 3.33Å
198	F	92.9	Very high	91.3	Very high	2 Å²	2	56.2 Å²	56.2	1%	0.009	27%	0.267	C	S	.	.	H	α-helix	trans	-57.2	-37.4	-170.7	-178.5	-100.3	0	0	0	114.3	M194 F201 S202 F207 F218 L224 L226 I235	M194-F198 WeakPolarHBondContact O-CA 3.29Å; M194-F198 WeakPolarHBondContact O-CB 3.14Å; M194-F198 PolarHBondContact O-N 2.97Å; F198-F201 HydrophobicContact CD2-CD1 4.48Å; F198-F201 PolarHBondContact O-N 3.17Å; F198-S202 WeakPolarHBondContact O-CB 3.1Å; F198-S202 PolarHBondContact O-N 3.34Å; F198-F207 AromaticContact CE2-CE2 3.88Å; F198-F207 HydrophobicContact CE2-CE2 3.88Å; F198-F207 AromaticContact CZ-CE2 3.9Å; F198-F207 HydrophobicContact CZ-CE2 3.9Å; F198-F207 HydrophobicContact CZ-CZ 4.33Å; F198-F218 HydrophobicContact CD2-CB 4.23Å; F198-F218 AromaticContact CD2-CD1 3.71Å; F198-F218 HydrophobicContact CD2-CD1 3.71Å; F198-F218 HydrophobicContact CD2-CD2 4.45Å; F198-F218 HydrophobicContact CD2-CE1 4.14Å; F198-F218 AromaticContact CD2-CG 3.9Å; F198-F218 HydrophobicContact CD2-CG 3.9Å; F198-F218 HydrophobicContact CE2-CB 3.51Å; F198-F218 AromaticContact CE2-CD1 3.77Å; F198-F218 HydrophobicContact CE2-CD1 3.77Å; F198-F218 AromaticContact CE2-CD2 3.82Å; F198-F218 HydrophobicContact CE2-CD2 3.82Å; F198-F218 HydrophobicContact CE2-CE1 4.43Å; F198-F218 HydrophobicContact CE2-CE2 4.47Å; F198-F218 AromaticContact CE2-CG 3.43Å; F198-F218 HydrophobicContact CE2-CG 3.43Å; F198-F218 VanDerWaalsContact CE2-CG 3.43Å; F198-F218 HydrophobicContact CZ-CB 3.96Å; F198-F218 HydrophobicContact CZ-CG 4.36Å; F198-L224 HydrophobicContact CB-CD1 3.72Å; F198-L224 HydrophobicContact CD1-CD1 4.04Å; F198-L224 HydrophobicContact CD1-CD2 3.98Å; F198-L224 HydrophobicContact CD1-CG 4.4Å; F198-L224 HydrophobicContact CD2-CD1 4.2Å; F198-L224 HydrophobicContact CE1-CD2 3.96Å; F198-L224 HydrophobicContact CG-CD1 3.72Å; F198-L224 HydrophobicContact CG-CD2 4.37Å; F198-L224 HydrophobicContact CZ-CD2 4.35Å; F198-L226 HydrophobicContact CD1-CD2 3.69Å; F198-L226 HydrophobicContact CE1-CD2 4Å; F198-I235 HydrophobicContact CD1-CD1 4.44Å; F198-I235 HydrophobicContact CE1-CD1 3.9Å; F198-I235 HydrophobicContact CE1-CG2 4.18Å; F198-I235 HydrophobicContact CZ-CG2 4.16Å
199	I	92.6	Very high	91.1	Very high	64 Å²	64	57 Å²	57	33%	0.328	27%	0.268	S	S	.	.	H	α-helix	trans	-61.2	-48.6	177.6	-62.5	-61.1	0	0	0	110.9	N197 S202 L226 P227 T231 I235	N197-I199 VanDerWaalsContact C-N 3.31Å; N197-I199 PolarHBondContact O-N 3.47Å; I199-S202 PolarHBondContact O-N 2.93Å; I199-S202 PolarHBondContact O-OG 2.91Å; I199-L226 HydrophobicContact CD1-CD2 3.53Å; I199-L226 HydrophobicContact CG1-CD2 4.47Å; I199-P227 HydrophobicContact CD1-CG 4.5Å; I199-T231 HydrophobicContact CD1-CG2 3.94Å; I199-I235 HydrophobicContact CD1-CD1 4.1Å
200	E	93.2	Very high	91	Very high	106 Å²	106	55.5 Å²	55.5	50%	0.495	26%	0.255	S	S	.	.	H	α-helix	trans	-66.7	-40.9	179	-163.6	-178	162	0	0	111	V168 N197 S202 E203 M204	V168-E200 HydrophobicContact CG1-CB 4.24Å; V168-E200 HydrophobicContact CG1-CG 4.1Å; V168-E200 HydrophobicContact CG2-CG 4.38Å; N197-E200 PolarHBondContact O-N 3.15Å; N197-E200 VanDerWaalsContact O-N 3.11Å; E200-S202 VanDerWaalsContact C-N 3.3Å; E200-S202 PolarHBondContact O-N 3.39Å; E200-E203 PolarHBondContact O-N 2.95Å; E200-M204 HydrophobicContact CG-CE 4.2Å
201	F	93	Very high	91	Very high	1 Å²	1	58.5 Å²	58.5	0%	0.004	27%	0.274	C	S	.	.	H	α-helix	trans	-59.6	-39.3	173.5	178.2	-124.2	0	0	0	112.4	V168 M172 M194 N197 F198 E203 M204 F207 L210 F218	V168-F201 HydrophobicContact CG1-CB 4.03Å; M172-F201 HydrophobicContact CB-CE2 4.1Å; M172-F201 HydrophobicContact CB-CZ 4.02Å; M172-F201 HydrophobicContact CG-CZ 4.37Å; M172-F201 HydrophobicContact SD-CZ 4.29Å; M194-F201 HydrophobicContact SD-CE1 4.15Å; M194-F201 HydrophobicContact SD-CZ 4.15Å; N197-F201 PolarHBondContact O-N 3.37Å; F198-F201 HydrophobicContact CD2-CD1 4.48Å; F198-F201 PolarHBondContact O-N 3.17Å; F201-E203 PolarHBondContact O-N 2.71Å; F201-E203 VanDerWaalsContact O-N 3.14Å; F201-M204 WeakPolarHBondContact O-CB 3.17Å; F201-M204 PolarHBondContact O-N 2.89Å; F201-F207 AromaticContact CD1-CD2 3.89Å; F201-F207 HydrophobicContact CD1-CD2 3.89Å; F201-F207 AromaticContact CE1-CD2 3.79Å; F201-F207 HydrophobicContact CE1-CD2 3.79Å; F201-F207 HydrophobicContact CZ-CD2 4.45Å; F201-F207 WeakPolarHBondContact O-CB 3.35Å; F201-L210 HydrophobicContact CE1-CD1 4.14Å; F201-L210 HydrophobicContact CE1-CD2 4.45Å; F201-L210 HydrophobicContact CZ-CD2 4.25Å; F201-F218 HydrophobicContact CE1-CE2 4.38Å; F201-F218 HydrophobicContact CE1-CZ 4.49Å
202	S	93.9	Very high	91.3	Very high	1 Å²	1	59.1 Å²	59.1	1%	0.007	28%	0.275	C	S	.	.	H	α-helix	trans	-65.8	-13.9	179.6	76.4	0	0	0	0	114.6	F198 I199 E200 I235 K238	F198-S202 WeakPolarHBondContact O-CB 3.1Å; F198-S202 PolarHBondContact O-N 3.34Å; I199-S202 PolarHBondContact O-N 2.93Å; I199-S202 PolarHBondContact O-OG 2.91Å; E200-S202 VanDerWaalsContact C-N 3.3Å; E200-S202 PolarHBondContact O-N 3.39Å; S202-I235 WeakPolarHBondContact OG-CD1 3.29Å; S202-K238 PolarHBondContact O-NZ 3.3Å
203	E	93.2	Very high	91.4	Very high	126 Å²	126	59.1 Å²	59.1	59%	0.589	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.4	-12.3	172.3	-64.3	-52.1	129	0	0	114.1	E200 F201 K238	E200-E203 PolarHBondContact O-N 2.95Å; F201-E203 PolarHBondContact O-N 2.71Å; F201-E203 VanDerWaalsContact O-N 3.14Å; E203-K238 IonicContact OE1-NZ 3.78Å; E203-K238 PolarHBondContact OE1-NZ 3.45Å; E203-K238 IonicContact OE2-NZ 2.8Å; E203-K238 PolarHBondContact OE2-NZ 3.39Å
204	M	92.1	Very high	91.4	Very high	58 Å²	58	58.9 Å²	58.9	29%	0.286	28%	0.276	S	S	.	.	S	Bend	trans	-82.2	146.9	-178.7	-57.8	-59.7	149.5	0	0	112.9	V168 E200 F201 Q206 F207	V168-M204 HydrophobicContact CG1-CE 4.18Å; V168-M204 HydrophobicContact CG1-CG 3.96Å; E200-M204 HydrophobicContact CG-CE 4.2Å; F201-M204 WeakPolarHBondContact O-CB 3.17Å; F201-M204 PolarHBondContact O-N 2.89Å; M204-Q206 PolarHBondContact O-N 2.83Å; M204-Q206 VanDerWaalsContact O-N 3.08Å; M204-F207 VanDerWaalsContact O-CB 3.29Å; M204-F207 WeakPolarHBondContact O-CB 3.5Å; M204-F207 PolarHBondContact O-N 3.45Å
205	E	88.1	Confident	91.6	Very high	151 Å²	151	58.6 Å²	58.6	71%	0.706	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.4	-26.7	174.8	-66.8	-169.3	171.8	0	0	113.8	F207 L208	E205-F207 VanDerWaalsContact C-N 3.29Å; E205-F207 PolarHBondContact O-N 3.3Å; E205-L208 PolarHBondContact O-N 3.35Å
206	Q	85.7	Confident	92	Very high	66 Å²	66	55.9 Å²	55.9	31%	0.308	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.3	-28.8	177.9	-65.1	-172.1	20.6	0	0	112.5	E169 M204 L208 K209	E169-Q206 VanDerWaalsContact O-CD 3.29Å; E169-Q206 PolarHBondContact O-NE2 3.2Å; E169-Q206 PolarHBondContact O-OE1 2.87Å; M204-Q206 PolarHBondContact O-N 2.83Å; M204-Q206 VanDerWaalsContact O-N 3.08Å; Q206-L208 VanDerWaalsContact C-N 3.27Å; Q206-L208 PolarHBondContact O-N 2.77Å; Q206-K209 WeakPolarHBondContact O-CB 3.47Å; Q206-K209 PolarHBondContact O-N 3.44Å
207	F	91.7	Very high	92.1	Very high	0 Å²	0	55.2 Å²	55.2	0%	0	26%	0.264	C	S	.	.	G	3₁₀ helix	trans	-62.5	-37	174.4	-179.5	-94.3	0	0	0	111.9	F198 F201 M204 E205 K209 L210 I215 I235 W239	F198-F207 AromaticContact CE2-CE2 3.88Å; F198-F207 HydrophobicContact CE2-CE2 3.88Å; F198-F207 AromaticContact CZ-CE2 3.9Å; F198-F207 HydrophobicContact CZ-CE2 3.9Å; F198-F207 HydrophobicContact CZ-CZ 4.33Å; F201-F207 AromaticContact CD1-CD2 3.89Å; F201-F207 HydrophobicContact CD1-CD2 3.89Å; F201-F207 AromaticContact CE1-CD2 3.79Å; F201-F207 HydrophobicContact CE1-CD2 3.79Å; F201-F207 HydrophobicContact CZ-CD2 4.45Å; F201-F207 WeakPolarHBondContact O-CB 3.35Å; M204-F207 VanDerWaalsContact O-CB 3.29Å; M204-F207 WeakPolarHBondContact O-CB 3.5Å; M204-F207 PolarHBondContact O-N 3.45Å; E205-F207 VanDerWaalsContact C-N 3.29Å; E205-F207 PolarHBondContact O-N 3.3Å; F207-K209 PolarHBondContact O-N 3.12Å; F207-K209 VanDerWaalsContact O-N 3.13Å; F207-L210 HydrophobicContact CD2-CD1 3.46Å; F207-L210 VanDerWaalsContact CD2-CD1 3.46Å; F207-L210 HydrophobicContact CD2-CG 4.43Å; F207-L210 HydrophobicContact CE2-CD1 3.52Å; F207-L210 HydrophobicContact CG-CD1 4.17Å; F207-L210 HydrophobicContact CZ-CD1 4.26Å; F207-L210 WeakPolarHBondContact O-CB 3.4Å; F207-L210 VanDerWaalsContact O-CG 3.26Å; F207-L210 WeakPolarHBondContact O-CG 3.13Å; F207-L210 PolarHBondContact O-N 3.29Å; F207-L210 VanDerWaalsContact O-N 3.14Å; F207-I215 HydrophobicContact CE1-CD1 4.19Å; F207-I215 HydrophobicContact CZ-CD1 3.71Å; F207-I215 HydrophobicContact CZ-CG1 4.24Å; F207-I235 HydrophobicContact CE1-CG2 3.72Å; F207-I235 HydrophobicContact CE2-CG2 4.2Å; F207-I235 HydrophobicContact CZ-CG2 3.3Å; F207-W239 HydrophobicContact CE1-CB 4.12Å
208	L	91.5	Very high	92.2	Very high	30 Å²	30	55 Å²	55	16%	0.157	26%	0.262	C	S	.	.	G	3₁₀ helix	trans	-66.2	-15	176.7	-56.6	173.8	0	0	0	112.4	E205 Q206 K238 F242 R246	E205-L208 PolarHBondContact O-N 3.35Å; Q206-L208 VanDerWaalsContact C-N 3.27Å; Q206-L208 PolarHBondContact O-N 2.77Å; L208-K238 HydrophobicContact CD2-CG 4.18Å; L208-F242 HydrophobicContact CB-CD1 4.21Å; L208-F242 HydrophobicContact CB-CD2 3.91Å; L208-F242 HydrophobicContact CB-CE1 4.22Å; L208-F242 HydrophobicContact CB-CE2 3.92Å; L208-F242 HydrophobicContact CB-CG 4.05Å; L208-F242 HydrophobicContact CB-CZ 4.07Å; L208-F242 HydrophobicContact CD1-CD2 3.69Å; L208-F242 HydrophobicContact CD1-CE2 3.74Å; L208-F242 HydrophobicContact CD2-CB 4.37Å; L208-F242 HydrophobicContact CD2-CD2 4.25Å; L208-F242 HydrophobicContact CD2-CG 4.39Å; L208-F242 HydrophobicContact CG-CD2 4.15Å; L208-F242 HydrophobicContact CG-CE2 4.38Å; L208-R246 VanDerWaalsContact O-CZ 3.3Å; L208-R246 PolarHBondContact O-NH1 2.98Å; L208-R246 PolarHBondContact O-NH2 3.22Å
209	K	89.1	Confident	92.3	Very high	142 Å²	142	54.9 Å²	54.9	62%	0.617	26%	0.261	S	S	*	.	G	3₁₀ helix	trans	-93.6	-3.1	177.9	-58.5	174	-173	168.4	0	113.7	Q206 F207	Q206-K209 WeakPolarHBondContact O-CB 3.47Å; Q206-K209 PolarHBondContact O-N 3.44Å; F207-K209 PolarHBondContact O-N 3.12Å; F207-K209 VanDerWaalsContact O-N 3.13Å
210	L	91	Very high	92.4	Very high	3 Å²	3	54.5 Å²	54.5	2%	0.016	26%	0.264	C	S	.	.			trans	-58.7	145.3	175.8	-67.9	178.4	0	0	0	111.7	M172 F201 F207 Q214 I215 F218 W239	M172-L210 HydrophobicContact CE-CD2 4.44Å; M172-L210 HydrophobicContact CG-CD2 4.21Å; M172-L210 HydrophobicContact SD-CD2 3.42Å; M172-L210 WeakPolarHBondContact SD-CD2 3.4Å; F201-L210 HydrophobicContact CE1-CD1 4.14Å; F201-L210 HydrophobicContact CE1-CD2 4.45Å; F201-L210 HydrophobicContact CZ-CD2 4.25Å; F207-L210 HydrophobicContact CD2-CD1 3.46Å; F207-L210 VanDerWaalsContact CD2-CD1 3.46Å; F207-L210 HydrophobicContact CD2-CG 4.43Å; F207-L210 HydrophobicContact CE2-CD1 3.52Å; F207-L210 HydrophobicContact CG-CD1 4.17Å; F207-L210 HydrophobicContact CZ-CD1 4.26Å; F207-L210 WeakPolarHBondContact O-CB 3.4Å; F207-L210 VanDerWaalsContact O-CG 3.26Å; F207-L210 WeakPolarHBondContact O-CG 3.13Å; F207-L210 PolarHBondContact O-N 3.29Å; F207-L210 VanDerWaalsContact O-N 3.14Å; L210-Q214 HydrophobicContact CB-CB 4.26Å; L210-Q214 HydrophobicContact CD2-CB 4.04Å; L210-I215 HydrophobicContact CD1-CB 4.44Å; L210-F218 HydrophobicContact CD1-CD2 4.45Å; L210-F218 HydrophobicContact CD1-CE2 4.31Å; L210-W239 PolarHBondContact O-NE1 3.16Å
211	T	92.3	Very high	92.4	Very high	62 Å²	62	51.1 Å²	51.1	38%	0.38	25%	0.25	S	C	.	.			trans	-75	166.5	168.7	81.7	0	0	0	0	111.1	E213 Q214 I215	T211-E213 VanDerWaalsContact C-N 3.25Å; T211-E213 WeakPolarHBondContact CB-OE2 3.26Å; T211-E213 PolarHBondContact O-N 3.01Å; T211-E213 PolarHBondContact OG1-N 3.37Å; T211-E213 PolarHBondContact OG1-OE2 3.41Å; T211-Q214 PolarHBondContact O-N 2.69Å; T211-Q214 PolarHBondContact OG1-N 2.7Å; T211-I215 WeakPolarHBondContact O-CG2 3.4Å; T211-I215 PolarHBondContact O-N 3.11Å; T211-I215 VanDerWaalsContact O-N 3.13Å
212	Y	95.4	Very high	92.3	Very high	53 Å²	53	54.8 Å²	54.8	21%	0.208	27%	0.269	C	S	.	.	H	α-helix	trans	-57.6	-40.9	176.4	167.7	-108.2	0	0	0	111.8	I215 S216 W239 Y249 D252 L253	Y212-I215 WeakPolarHBondContact O-CG2 3.28Å; Y212-S216 VanDerWaalsContact CE2-OG 3.3Å; Y212-S216 WeakPolarHBondContact CE2-OG 3.22Å; Y212-S216 WeakPolarHBondContact O-CB 3.43Å; Y212-S216 PolarHBondContact O-N 3.24Å; Y212-S216 PolarHBondContact O-OG 2.67Å; Y212-W239 HydrophobicContact CD2-CH2 4.35Å; Y212-Y249 HydrophobicContact CD1-CD1 4.37Å; Y212-Y249 HydrophobicContact CD1-CE1 4.42Å; Y212-Y249 HydrophobicContact CD2-CD1 4.18Å; Y212-Y249 HydrophobicContact CD2-CD2 4.09Å; Y212-Y249 AromaticContact CD2-CG 3.77Å; Y212-Y249 HydrophobicContact CD2-CG 3.77Å; Y212-Y249 HydrophobicContact CE2-CD1 4.41Å; Y212-Y249 HydrophobicContact CE2-CG 4.21Å; Y212-Y249 HydrophobicContact CG-CD1 4.17Å; Y212-Y249 HydrophobicContact CG-CD2 4.13Å; Y212-Y249 HydrophobicContact CG-CE1 4.4Å; Y212-Y249 HydrophobicContact CG-CE2 4.33Å; Y212-Y249 HydrophobicContact CG-CG 4.03Å; Y212-D252 WeakPolarHBondContact OH-CB 3.44Å; Y212-L253 HydrophobicContact CD2-CD1 4.48Å; Y212-L253 HydrophobicContact CE2-CB 4.21Å; Y212-L253 HydrophobicContact CE2-CD1 4.24Å
213	E	93.6	Very high	92	Very high	115 Å²	115	58 Å²	58	54%	0.537	29%	0.292	S	S	.	.	H	α-helix	trans	-64.7	-43	-179.4	-56.4	69.5	-149.2	0	0	110.6	T211 S216 E217	T211-E213 VanDerWaalsContact C-N 3.25Å; T211-E213 WeakPolarHBondContact CB-OE2 3.26Å; T211-E213 PolarHBondContact O-N 3.01Å; T211-E213 PolarHBondContact OG1-N 3.37Å; T211-E213 PolarHBondContact OG1-OE2 3.41Å; E213-S216 PolarHBondContact O-N 2.85Å; E213-E217 PolarHBondContact O-N 3.18Å
214	Q	90.7	Very high	91.9	Very high	46 Å²	46	52.1 Å²	52.1	22%	0.215	27%	0.265	C	S	.	.	H	α-helix	trans	-67.5	-46.9	-179.1	-67.6	171.9	-27.6	0	0	112.4	L210 T211 S216 E217 F218	L210-Q214 HydrophobicContact CB-CB 4.26Å; L210-Q214 HydrophobicContact CD2-CB 4.04Å; T211-Q214 PolarHBondContact O-N 2.69Å; T211-Q214 PolarHBondContact OG1-N 2.7Å; Q214-S216 VanDerWaalsContact C-N 3.29Å; Q214-S216 PolarHBondContact O-N 2.84Å; Q214-E217 WeakPolarHBondContact O-CB 3.42Å; Q214-E217 PolarHBondContact O-N 3.04Å; Q214-F218 WeakPolarHBondContact O-CD2 3.36Å; Q214-F218 PolarHBondContact O-N 3.35Å
215	I	94.8	Very high	91.7	Very high	0 Å²	0	53.9 Å²	53.9	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-66.8	-34.5	175.5	-171.4	167.9	0	0	0	111.6	F207 L210 T211 Y212 F218 L219 W239 L253	F207-I215 HydrophobicContact CE1-CD1 4.19Å; F207-I215 HydrophobicContact CZ-CD1 3.71Å; F207-I215 HydrophobicContact CZ-CG1 4.24Å; L210-I215 HydrophobicContact CD1-CB 4.44Å; T211-I215 WeakPolarHBondContact O-CG2 3.4Å; T211-I215 PolarHBondContact O-N 3.11Å; T211-I215 VanDerWaalsContact O-N 3.13Å; Y212-I215 WeakPolarHBondContact O-CG2 3.28Å; I215-F218 PolarHBondContact O-N 2.71Å; I215-L219 HydrophobicContact CD1-CD1 4.47Å; I215-L219 HydrophobicContact CG1-CD1 4.06Å; I215-L219 HydrophobicContact CG1-CG 4.36Å; I215-L219 WeakPolarHBondContact O-CG 3.38Å; I215-L219 PolarHBondContact O-N 3.33Å; I215-W239 HydrophobicContact CD1-CB 3.4Å; I215-W239 VanDerWaalsContact CD1-CB 3.4Å; I215-W239 HydrophobicContact CD1-CD2 3.87Å; I215-W239 HydrophobicContact CD1-CE3 4.36Å; I215-W239 HydrophobicContact CD1-CG 3.42Å; I215-W239 VanDerWaalsContact CD1-CG 3.42Å; I215-W239 HydrophobicContact CG2-CD2 3.96Å; I215-W239 HydrophobicContact CG2-CE3 4.18Å; I215-W239 HydrophobicContact CG2-CH2 4.26Å; I215-W239 HydrophobicContact CG2-CZ2 4.03Å; I215-W239 HydrophobicContact CG2-CZ3 4.32Å; I215-L253 HydrophobicContact CD1-CD2 4.39Å; I215-L253 HydrophobicContact CG1-CD1 4.38Å; I215-L253 HydrophobicContact CG2-CD1 3.78Å; I215-L253 HydrophobicContact CG2-CD2 4.48Å
216	S	96.1	Very high	91.8	Very high	16 Å²	16	47.4 Å²	47.4	11%	0.112	24%	0.242	C	C	.	.	H	α-helix	trans	-65.4	-38.6	174.9	-62.6	0	0	0	0	111.9	Y212 E213 Q214 F218 L219 S220	Y212-S216 VanDerWaalsContact CE2-OG 3.3Å; Y212-S216 WeakPolarHBondContact CE2-OG 3.22Å; Y212-S216 WeakPolarHBondContact O-CB 3.43Å; Y212-S216 PolarHBondContact O-N 3.24Å; Y212-S216 PolarHBondContact O-OG 2.67Å; E213-S216 PolarHBondContact O-N 2.85Å; Q214-S216 VanDerWaalsContact C-N 3.29Å; Q214-S216 PolarHBondContact O-N 2.84Å; S216-F218 PolarHBondContact O-N 3.12Å; S216-L219 PolarHBondContact O-N 3.45Å; S216-S220 WeakPolarHBondContact O-CB 3.39Å; S216-S220 PolarHBondContact O-N 3.49Å; S216-S220 PolarHBondContact O-OG 3.16Å; S216-S220 VanDerWaalsContact O-OG 3.14Å
217	E	92.7	Very high	92	Very high	95 Å²	95	48.4 Å²	48.4	44%	0.444	26%	0.255	S	S	.	.	H	α-helix	trans	-54.8	-53.8	174.3	-169.6	-178.8	166.9	0	0	110.2	Q191 E213 Q214 L219 S220 D221	Q191-E217 PolarHBondContact NE2-OE1 3.44Å; E213-E217 PolarHBondContact O-N 3.18Å; Q214-E217 WeakPolarHBondContact O-CB 3.42Å; Q214-E217 PolarHBondContact O-N 3.04Å; E217-L219 PolarHBondContact O-N 2.96Å; E217-S220 PolarHBondContact O-N 2.85Å; E217-S220 PolarHBondContact O-OG 3.01Å; E217-D221 PolarHBondContact O-N 3.39Å
218	F	93.2	Very high	92	Very high	17 Å²	17	50.7 Å²	50.7	8%	0.075	27%	0.27	C	S	.	.	H	α-helix	trans	-59.6	-49	176.6	-67.2	-69.1	0	0	0	112.9	M194 R195 F198 F201 L210 Q214 I215 S216 S220 D221 L224	M194-F218 HydrophobicContact CB-CE1 3.94Å; M194-F218 HydrophobicContact CB-CZ 3.9Å; M194-F218 HydrophobicContact SD-CZ 4.1Å; R195-F218 HydrophobicContact CG-CD1 4.29Å; R195-F218 HydrophobicContact CG-CE1 4.19Å; F198-F218 HydrophobicContact CD2-CB 4.23Å; F198-F218 AromaticContact CD2-CD1 3.71Å; F198-F218 HydrophobicContact CD2-CD1 3.71Å; F198-F218 HydrophobicContact CD2-CD2 4.45Å; F198-F218 HydrophobicContact CD2-CE1 4.14Å; F198-F218 AromaticContact CD2-CG 3.9Å; F198-F218 HydrophobicContact CD2-CG 3.9Å; F198-F218 HydrophobicContact CE2-CB 3.51Å; F198-F218 AromaticContact CE2-CD1 3.77Å; F198-F218 HydrophobicContact CE2-CD1 3.77Å; F198-F218 AromaticContact CE2-CD2 3.82Å; F198-F218 HydrophobicContact CE2-CD2 3.82Å; F198-F218 HydrophobicContact CE2-CE1 4.43Å; F198-F218 HydrophobicContact CE2-CE2 4.47Å; F198-F218 AromaticContact CE2-CG 3.43Å; F198-F218 HydrophobicContact CE2-CG 3.43Å; F198-F218 VanDerWaalsContact CE2-CG 3.43Å; F198-F218 HydrophobicContact CZ-CB 3.96Å; F198-F218 HydrophobicContact CZ-CG 4.36Å; F201-F218 HydrophobicContact CE1-CE2 4.38Å; F201-F218 HydrophobicContact CE1-CZ 4.49Å; L210-F218 HydrophobicContact CD1-CD2 4.45Å; L210-F218 HydrophobicContact CD1-CE2 4.31Å; Q214-F218 WeakPolarHBondContact O-CD2 3.36Å; Q214-F218 PolarHBondContact O-N 3.35Å; I215-F218 PolarHBondContact O-N 2.71Å; S216-F218 PolarHBondContact O-N 3.12Å; F218-S220 PolarHBondContact O-N 3.25Å; F218-D221 WeakPolarHBondContact O-CB 3.46Å; F218-D221 PolarHBondContact O-N 3.1Å; F218-D221 VanDerWaalsContact O-N 3.14Å; F218-L224 HydrophobicContact CB-CD2 4.49Å; F218-L224 WeakPolarHBondContact O-CD2 3.5Å
219	L	95.3	Very high	92.2	Very high	0 Å²	0	49.8 Å²	49.8	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-72.5	-16.1	-179.1	-63.7	179.1	0	0	0	113.2	I215 S216 E217 A232 A236 L253 L256 I257 R306 R311	I215-L219 HydrophobicContact CD1-CD1 4.47Å; I215-L219 HydrophobicContact CG1-CD1 4.06Å; I215-L219 HydrophobicContact CG1-CG 4.36Å; I215-L219 WeakPolarHBondContact O-CG 3.38Å; I215-L219 PolarHBondContact O-N 3.33Å; S216-L219 PolarHBondContact O-N 3.45Å; E217-L219 PolarHBondContact O-N 2.96Å; L219-A232 HydrophobicContact CD2-CB 4.46Å; L219-A236 HydrophobicContact CD1-CB 3.85Å; L219-L253 HydrophobicContact CD1-CD1 3.96Å; L219-L253 HydrophobicContact CD1-CG 4.23Å; L219-L256 HydrophobicContact CB-CB 3.86Å; L219-L256 HydrophobicContact CB-CD1 3.91Å; L219-I257 HydrophobicContact CD1-CD1 4.22Å; L219-I257 HydrophobicContact CD2-CD1 4.31Å; L219-R306 PolarHBondContact O-NH2 3.45Å; L219-R311 VanDerWaalsContact C-NH1 3.35Å; L219-R311 PolarHBondContact O-NH1 2.76Å
220	S	94.3	Very high	92.5	Very high	56 Å²	56	43.7 Å²	43.7	39%	0.392	24%	0.24	S	C	.	.	H	α-helix	trans	-83.6	-15.4	171.2	78.1	0	0	0	0	113.6	S216 E217 F218 D222 R306	S216-S220 WeakPolarHBondContact O-CB 3.39Å; S216-S220 PolarHBondContact O-N 3.49Å; S216-S220 PolarHBondContact O-OG 3.16Å; S216-S220 VanDerWaalsContact O-OG 3.14Å; E217-S220 PolarHBondContact O-N 2.85Å; E217-S220 PolarHBondContact O-OG 3.01Å; F218-S220 PolarHBondContact O-N 3.25Å; S220-D222 PolarHBondContact O-N 3.48Å; S220-R306 VanDerWaalsContact O-CZ 3.32Å; S220-R306 PolarHBondContact O-NH2 2.79Å
221	D	92.3	Very high	92.7	Very high	36 Å²	36	45 Å²	45	19%	0.193	25%	0.248	C	C	.	.			trans	-72.2	127.6	179.1	-169.9	-12.5	0	0	0	111.3	R195 E217 F218 S223 L224	R195-D221 WeakPolarHBondContact CD-OD2 3.44Å; E217-D221 PolarHBondContact O-N 3.39Å; F218-D221 WeakPolarHBondContact O-CB 3.46Å; F218-D221 PolarHBondContact O-N 3.1Å; F218-D221 VanDerWaalsContact O-N 3.14Å; D221-S223 VanDerWaalsContact CG-OG 3.28Å; D221-S223 WeakPolarHBondContact OD1-CA 3.5Å; D221-S223 WeakPolarHBondContact OD1-CB 3.16Å; D221-S223 PolarHBondContact OD1-N 3.29Å; D221-S223 PolarHBondContact OD1-OG 3.28Å; D221-S223 PolarHBondContact OD2-OG 3.17Å; D221-L224 HydrophobicContact CB-CB 4.11Å
222	D	91.1	Very high	92.9	Very high	77 Å²	77	42 Å²	42	41%	0.412	23%	0.23	S	C	.	.	S	Bend	trans	-81.6	-20.2	178.3	-81.1	21.3	0	0	0	112.8	S220 R258 R306 G312	S220-D222 PolarHBondContact O-N 3.48Å; D222-R258 IonicContact OD1-CZ 2.7Å; D222-R258 IonicContact OD1-NH2 3.47Å; D222-R258 PolarHBondContact OD1-NH2 2.75Å; D222-R258 IonicContact OD2-NH2 2.84Å; D222-R306 IonicContact OD1-CZ 3.22Å; D222-R306 VanDerWaalsContact OD1-CZ 3.3Å; D222-R306 IonicContact OD1-NE 3.24Å; D222-R306 PolarHBondContact OD1-NE 3.13Å; D222-R306 IonicContact OD1-NH2 2.71Å; D222-R306 PolarHBondContact OD1-NH2 3.46Å; D222-G312 PolarHBondContact O-N 2.96Å
223	S	88.9	Confident	93	Very high	70 Å²	70	39.6 Å²	39.6	49%	0.49	22%	0.22	S	C	.	.	S	Bend	trans	-90.2	-14.6	179.2	74.3	0	0	0	0	114	D221 Q225	D221-S223 VanDerWaalsContact CG-OG 3.28Å; D221-S223 WeakPolarHBondContact OD1-CA 3.5Å; D221-S223 WeakPolarHBondContact OD1-CB 3.16Å; D221-S223 PolarHBondContact OD1-N 3.29Å; D221-S223 PolarHBondContact OD1-OG 3.28Å; D221-S223 PolarHBondContact OD2-OG 3.17Å; S223-Q225 PolarHBondContact O-N 2.68Å; S223-Q225 PolarHBondContact O-NE2 3.23Å
224	L	90.8	Very high	93.2	Very high	2 Å²	2	38.7 Å²	38.7	1%	0.01	22%	0.216	C	C	.	.			trans	-55.8	124.6	-177	-178.3	71.1	0	0	0	111.7	F198 F218 D221 L226 R311	F198-L224 HydrophobicContact CB-CD1 3.72Å; F198-L224 HydrophobicContact CD1-CD1 4.04Å; F198-L224 HydrophobicContact CD1-CD2 3.98Å; F198-L224 HydrophobicContact CD1-CG 4.4Å; F198-L224 HydrophobicContact CD2-CD1 4.2Å; F198-L224 HydrophobicContact CE1-CD2 3.96Å; F198-L224 HydrophobicContact CG-CD1 3.72Å; F198-L224 HydrophobicContact CG-CD2 4.37Å; F198-L224 HydrophobicContact CZ-CD2 4.35Å; F218-L224 HydrophobicContact CB-CD2 4.49Å; F218-L224 WeakPolarHBondContact O-CD2 3.5Å; D221-L224 HydrophobicContact CB-CB 4.11Å; L224-L226 HydrophobicContact CD2-CD1 4.05Å; L224-L226 HydrophobicContact CD2-CD2 4.06Å; L224-L226 HydrophobicContact CD2-CG 4.1Å; L224-L226 HydrophobicContact CG-CD2 4.19Å; L224-L226 HydrophobicContact CG-CG 4.12Å; L224-L226 PolarHBondContact O-N 2.8Å; L224-R311 WeakPolarHBondContact O-CD 3.36Å; L224-R311 WeakPolarHBondContact O-CG 3.4Å
225	Q	87.3	Confident	93.5	Very high	94 Å²	94	36.8 Å²	36.8	44%	0.439	21%	0.207	S	C	.	.			trans	-86.1	110.9	-175.2	-63.4	-62.5	-53.3	0	0	110.4	S223 G312	S223-Q225 PolarHBondContact O-N 2.68Å; S223-Q225 PolarHBondContact O-NE2 3.23Å; Q225-G312 PolarHBondContact NE2-O 2.92Å; Q225-G312 VanDerWaalsContact NE2-O 3.07Å
226	L	89.6	Confident	93.6	Very high	16 Å²	16	36.8 Å²	36.8	8%	0.084	21%	0.207	C	C	.	.			trans	-130.1	146.1	178.7	-59.4	178.2	0	0	0	110	F198 I199 L224 S228 A232	F198-L226 HydrophobicContact CD1-CD2 3.69Å; F198-L226 HydrophobicContact CE1-CD2 4Å; I199-L226 HydrophobicContact CD1-CD2 3.53Å; I199-L226 HydrophobicContact CG1-CD2 4.47Å; L224-L226 HydrophobicContact CD2-CD1 4.05Å; L224-L226 HydrophobicContact CD2-CD2 4.06Å; L224-L226 HydrophobicContact CD2-CG 4.1Å; L224-L226 HydrophobicContact CG-CD2 4.19Å; L224-L226 HydrophobicContact CG-CG 4.12Å; L224-L226 PolarHBondContact O-N 2.8Å; L226-S228 VanDerWaalsContact C-N 3.26Å; L226-S228 PolarHBondContact O-N 3.47Å; L226-A232 HydrophobicContact CD1-CB 3.54Å
227	P	89.5	Confident	93.6	Very high	87 Å²	87	36.8 Å²	36.8	57%	0.565	21%	0.206	S	C	*	.	S	Bend	trans	-61.8	-34.3	173.3	-22.8	33.3	0	0	0	113	I199	I199-P227 HydrophobicContact CD1-CG 4.5Å
228	S	92.2	Very high	93.8	Very high	47 Å²	47	35.5 Å²	35.5	33%	0.329	20%	0.199	S	C	.	.			trans	-162.9	165	177.9	71.5	0	0	0	0	111.7	L226 V230 T231 A232	L226-S228 VanDerWaalsContact C-N 3.26Å; L226-S228 PolarHBondContact O-N 3.47Å; S228-V230 PolarHBondContact O-N 2.72Å; S228-V230 WeakPolarHBondContact OG-CB 3.13Å; S228-V230 PolarHBondContact OG-N 3.5Å; S228-T231 WeakPolarHBondContact O-CB 3.32Å; S228-T231 PolarHBondContact O-N 3.43Å; S228-T231 PolarHBondContact OG-N 3.41Å; S228-T231 PolarHBondContact OG-OG1 3.32Å; S228-A232 PolarHBondContact O-N 2.77Å
229	E	95.1	Very high	94	Very high	12 Å²	12	34.9 Å²	34.9	6%	0.056	20%	0.196	C	C	.	.	H	α-helix	trans	-73	-15.5	167.9	-70.2	-79.5	161.9	0	0	113	T231 A232 F233 R258 T261 I262 R311	E229-T231 VanDerWaalsContact C-N 3.31Å; E229-A232 WeakPolarHBondContact O-CB 3.21Å; E229-A232 PolarHBondContact O-N 3.31Å; E229-F233 WeakPolarHBondContact O-CB 3.5Å; E229-F233 PolarHBondContact O-N 3.14Å; E229-R258 VanDerWaalsContact CD-CB 3.49Å; E229-R258 HydrophobicContact CG-CB 3.89Å; E229-R258 WeakPolarHBondContact OE1-CD 3.5Å; E229-R258 WeakPolarHBondContact OE1-CG 3.38Å; E229-R258 IonicContact OE1-NE 3.49Å; E229-R258 PolarHBondContact OE2-N 2.97Å; E229-T261 WeakPolarHBondContact CG-OG1 3.49Å; E229-I262 HydrophobicContact CB-CD1 3.94Å; E229-I262 HydrophobicContact CB-CG1 3.56Å; E229-R311 VanDerWaalsContact CD-NH2 3.33Å; E229-R311 WeakPolarHBondContact OE1-CB 3.42Å; E229-R311 IonicContact OE1-CZ 2.76Å; E229-R311 VanDerWaalsContact OE1-CZ 3.25Å; E229-R311 IonicContact OE1-NE 2.96Å; E229-R311 PolarHBondContact OE1-NE 2.79Å; E229-R311 IonicContact OE1-NH2 3.3Å; E229-R311 PolarHBondContact OE1-NH2 2.84Å; E229-R311 IonicContact OE2-CZ 3.87Å; E229-R311 IonicContact OE2-NE 2.74Å; E229-R311 IonicContact OE2-NH2 3.79Å; E229-R311 PolarHBondContact OE2-NH2 3.23Å
230	V	95.9	Very high	94	Very high	14 Å²	14	34.9 Å²	34.9	9%	0.085	20%	0.196	C	C	.	.	H	α-helix	trans	-64.8	-41	167.5	-176.3	0	0	0	0	109.6	S228 F233 Q234 I262 D266 H270	S228-V230 PolarHBondContact O-N 2.72Å; S228-V230 WeakPolarHBondContact OG-CB 3.13Å; S228-V230 PolarHBondContact OG-N 3.5Å; V230-F233 WeakPolarHBondContact O-CB 3.37Å; V230-F233 PolarHBondContact O-N 3Å; V230-Q234 WeakPolarHBondContact O-CB 3.35Å; V230-Q234 VanDerWaalsContact O-CG 3.26Å; V230-Q234 WeakPolarHBondContact O-CG 3.46Å; V230-Q234 PolarHBondContact O-N 3Å; V230-I262 HydrophobicContact CG2-CB 4.48Å; V230-I262 HydrophobicContact CG2-CD1 4.12Å; V230-I262 HydrophobicContact CG2-CG1 4.16Å; V230-I262 HydrophobicContact CG2-CG2 3.59Å; V230-D266 HydrophobicContact CG2-CB 4Å; V230-H270 HydrophobicContact CG1-CB 3.78Å
231	T	95.4	Very high	94.1	Very high	29 Å²	29	36.8 Å²	36.8	18%	0.178	20%	0.201	C	C	.	.	H	α-helix	trans	-63.7	-41.9	172.9	-45.2	0	0	0	0	111.1	I199 S228 E229 F233 Q234 I235	I199-T231 HydrophobicContact CD1-CG2 3.94Å; S228-T231 WeakPolarHBondContact O-CB 3.32Å; S228-T231 PolarHBondContact O-N 3.43Å; S228-T231 PolarHBondContact OG-N 3.41Å; S228-T231 PolarHBondContact OG-OG1 3.32Å; E229-T231 VanDerWaalsContact C-N 3.31Å; T231-F233 VanDerWaalsContact C-N 3.34Å; T231-F233 PolarHBondContact O-N 3.08Å; T231-Q234 PolarHBondContact O-N 3.14Å; T231-I235 HydrophobicContact CG2-CD1 4Å; T231-I235 WeakPolarHBondContact O-CB 3.41Å; T231-I235 VanDerWaalsContact O-CG1 3.28Å; T231-I235 WeakPolarHBondContact O-CG1 3.35Å; T231-I235 PolarHBondContact O-N 2.93Å
232	A	96.4	Very high	94.2	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-57.7	-46.3	174.1	0	0	0	0	0	112	L219 L226 S228 E229 I235 A236 I257	L219-A232 HydrophobicContact CD2-CB 4.46Å; L226-A232 HydrophobicContact CD1-CB 3.54Å; S228-A232 PolarHBondContact O-N 2.77Å; E229-A232 WeakPolarHBondContact O-CB 3.21Å; E229-A232 PolarHBondContact O-N 3.31Å; A232-I235 PolarHBondContact O-N 2.68Å; A232-A236 WeakPolarHBondContact O-CB 3.36Å; A232-A236 PolarHBondContact O-N 3.18Å; A232-I257 HydrophobicContact CB-CD1 3.73Å
233	F	98	Very high	94.4	Very high	3 Å²	3	39.5 Å²	39.5	1%	0.013	21%	0.211	C	C	.	.	H	α-helix	trans	-61.8	-46.3	177	175.9	-109.8	0	0	0	112.3	E229 V230 T231 I235 A236 M237 L254 I257 F259 H270 V271 V274 M277	E229-F233 WeakPolarHBondContact O-CB 3.5Å; E229-F233 PolarHBondContact O-N 3.14Å; V230-F233 WeakPolarHBondContact O-CB 3.37Å; V230-F233 PolarHBondContact O-N 3Å; T231-F233 VanDerWaalsContact C-N 3.34Å; T231-F233 PolarHBondContact O-N 3.08Å; F233-I235 PolarHBondContact O-N 2.99Å; F233-A236 PolarHBondContact O-N 3.46Å; F233-M237 HydrophobicContact CD1-CG 4.5Å; F233-M237 HydrophobicContact CD2-CG 4.24Å; F233-M237 HydrophobicContact CE1-CG 4.09Å; F233-M237 HydrophobicContact CE2-CG 3.81Å; F233-M237 HydrophobicContact CE2-SD 4.14Å; F233-M237 HydrophobicContact CZ-CG 3.73Å; F233-M237 HydrophobicContact CZ-SD 4.19Å; F233-M237 WeakPolarHBondContact O-CB 3.4Å; F233-M237 WeakPolarHBondContact O-CG 3.29Å; F233-M237 PolarHBondContact O-N 3.49Å; F233-L254 HydrophobicContact CD2-CD2 3.73Å; F233-L254 HydrophobicContact CE2-CD1 4.39Å; F233-L254 HydrophobicContact CE2-CD2 3.84Å; F233-I257 HydrophobicContact CB-CG2 4.14Å; F233-F259 AromaticContact CD2-CE1 3.59Å; F233-F259 HydrophobicContact CD2-CE1 3.59Å; F233-F259 AromaticContact CD2-CZ 3.68Å; F233-F259 HydrophobicContact CD2-CZ 3.68Å; F233-F259 HydrophobicContact CE2-CE1 4.01Å; F233-F259 AromaticContact CE2-CZ 3.99Å; F233-F259 HydrophobicContact CE2-CZ 3.99Å; F233-F259 HydrophobicContact CG-CE1 4.16Å; F233-H270 WeakPolarHBondContact CE1-O 3.46Å; F233-V271 HydrophobicContact CD1-CG2 3.99Å; F233-V271 HydrophobicContact CE1-CB 4.33Å; F233-V271 HydrophobicContact CE1-CG1 4.38Å; F233-V271 HydrophobicContact CE1-CG2 4.11Å; F233-V271 HydrophobicContact CE2-CG1 4.24Å; F233-V271 HydrophobicContact CG-CG2 4.35Å; F233-V271 HydrophobicContact CZ-CB 4.49Å; F233-V271 HydrophobicContact CZ-CG1 4.05Å; F233-V274 HydrophobicContact CE1-CG2 3.76Å; F233-V274 HydrophobicContact CZ-CB 4.17Å; F233-V274 HydrophobicContact CZ-CG1 4.44Å; F233-V274 HydrophobicContact CZ-CG2 3.86Å; F233-M277 HydrophobicContact CE2-CG 4.17Å; F233-M277 HydrophobicContact CE2-SD 3.85Å; F233-M277 HydrophobicContact CZ-CG 3.9Å; F233-M277 HydrophobicContact CZ-SD 4.21Å
234	Q	96.8	Very high	94.5	Very high	96 Å²	96	44.3 Å²	44.3	45%	0.449	23%	0.226	S	C	.	.	H	α-helix	trans	-60.9	-43.6	177.4	-73.8	166.4	-16.8	0	0	112	V230 T231 M237 K238	V230-Q234 WeakPolarHBondContact O-CB 3.35Å; V230-Q234 VanDerWaalsContact O-CG 3.26Å; V230-Q234 WeakPolarHBondContact O-CG 3.46Å; V230-Q234 PolarHBondContact O-N 3Å; T231-Q234 PolarHBondContact O-N 3.14Å; Q234-M237 PolarHBondContact O-N 3.43Å; Q234-K238 VanDerWaalsContact O-CB 3.3Å; Q234-K238 WeakPolarHBondContact O-CB 3.02Å; Q234-K238 PolarHBondContact O-N 2.9Å
235	I	97.1	Very high	94.7	Very high	6 Å²	6	51.8 Å²	51.8	3%	0.031	26%	0.258	C	S	.	.	H	α-helix	trans	-63.1	-43.2	176.4	-70.5	169.2	0	0	0	111.2	F198 I199 S202 F207 T231 A232 F233 K238 W239	F198-I235 HydrophobicContact CD1-CD1 4.44Å; F198-I235 HydrophobicContact CE1-CD1 3.9Å; F198-I235 HydrophobicContact CE1-CG2 4.18Å; F198-I235 HydrophobicContact CZ-CG2 4.16Å; I199-I235 HydrophobicContact CD1-CD1 4.1Å; S202-I235 WeakPolarHBondContact OG-CD1 3.29Å; F207-I235 HydrophobicContact CE1-CG2 3.72Å; F207-I235 HydrophobicContact CE2-CG2 4.2Å; F207-I235 HydrophobicContact CZ-CG2 3.3Å; T231-I235 HydrophobicContact CG2-CD1 4Å; T231-I235 WeakPolarHBondContact O-CB 3.41Å; T231-I235 VanDerWaalsContact O-CG1 3.28Å; T231-I235 WeakPolarHBondContact O-CG1 3.35Å; T231-I235 PolarHBondContact O-N 2.93Å; A232-I235 PolarHBondContact O-N 2.68Å; F233-I235 PolarHBondContact O-N 2.99Å; I235-K238 PolarHBondContact O-N 3.41Å; I235-W239 PolarHBondContact O-N 3.43Å; I235-W239 VanDerWaalsContact O-N 3.17Å
236	A	97.6	Very high	95.1	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-63	-46	176.2	0	0	0	0	0	112	L219 A232 F233 W239 L240 L253 L254 I257	L219-A236 HydrophobicContact CD1-CB 3.85Å; A232-A236 WeakPolarHBondContact O-CB 3.36Å; A232-A236 PolarHBondContact O-N 3.18Å; F233-A236 PolarHBondContact O-N 3.46Å; A236-W239 PolarHBondContact O-N 3.32Å; A236-L240 WeakPolarHBondContact O-CG 3.49Å; A236-L240 PolarHBondContact O-N 3Å; A236-L253 HydrophobicContact CB-CD2 4.12Å; A236-L253 HydrophobicContact CB-CG 4.43Å; A236-L254 HydrophobicContact CB-CD2 4.07Å; A236-I257 HydrophobicContact CB-CD1 4.27Å
237	M	96.8	Very high	95.2	Very high	15 Å²	15	50.8 Å²	50.8	7%	0.074	25%	0.253	C	S	.	.	H	α-helix	trans	-62.1	-43.9	176.5	-73.1	-61	-51	0	0	112	F233 Q234 W239 L240 D241 L254 V274	F233-M237 HydrophobicContact CD1-CG 4.5Å; F233-M237 HydrophobicContact CD2-CG 4.24Å; F233-M237 HydrophobicContact CE1-CG 4.09Å; F233-M237 HydrophobicContact CE2-CG 3.81Å; F233-M237 HydrophobicContact CE2-SD 4.14Å; F233-M237 HydrophobicContact CZ-CG 3.73Å; F233-M237 HydrophobicContact CZ-SD 4.19Å; F233-M237 WeakPolarHBondContact O-CB 3.4Å; F233-M237 WeakPolarHBondContact O-CG 3.29Å; F233-M237 PolarHBondContact O-N 3.49Å; Q234-M237 PolarHBondContact O-N 3.43Å; M237-W239 VanDerWaalsContact C-N 3.27Å; M237-W239 PolarHBondContact O-N 3.06Å; M237-L240 PolarHBondContact O-N 3.45Å; M237-L240 VanDerWaalsContact O-N 3.1Å; M237-L240 HydrophobicContact SD-CD1 4.19Å; M237-D241 VanDerWaalsContact CE-OD2 3.25Å; M237-D241 WeakPolarHBondContact CE-OD2 3.38Å; M237-D241 WeakPolarHBondContact O-CB 3.15Å; M237-D241 PolarHBondContact O-N 3.47Å; M237-L254 HydrophobicContact SD-CD1 4.29Å; M237-V274 HydrophobicContact CE-CG1 3.65Å; M237-V274 HydrophobicContact SD-CG1 4.27Å
238	K	96.1	Very high	95.4	Very high	69 Å²	69	53.5 Å²	53.5	30%	0.3	26%	0.256	S	S	.	.	H	α-helix	trans	-56.4	-38.1	175.5	-173.8	-173.3	-171.9	-176.3	0	112.7	S202 E203 L208 Q234 I235	S202-K238 PolarHBondContact O-NZ 3.3Å; E203-K238 IonicContact OE1-NZ 3.78Å; E203-K238 PolarHBondContact OE1-NZ 3.45Å; E203-K238 IonicContact OE2-NZ 2.8Å; E203-K238 PolarHBondContact OE2-NZ 3.39Å; L208-K238 HydrophobicContact CD2-CG 4.18Å; Q234-K238 VanDerWaalsContact O-CB 3.3Å; Q234-K238 WeakPolarHBondContact O-CB 3.02Å; Q234-K238 PolarHBondContact O-N 2.9Å; I235-K238 PolarHBondContact O-N 3.41Å
239	W	97.1	Very high	95.6	Very high	4 Å²	4	54.6 Å²	54.6	2%	0.015	25%	0.253	C	S	.	.	H	α-helix	trans	-75.2	-36.6	175.5	-179.9	93.9	0	0	0	113.1	F207 L210 Y212 I215 I235 A236 M237 R246 Y249 L253	F207-W239 HydrophobicContact CE1-CB 4.12Å; L210-W239 PolarHBondContact O-NE1 3.16Å; Y212-W239 HydrophobicContact CD2-CH2 4.35Å; I215-W239 HydrophobicContact CD1-CB 3.4Å; I215-W239 VanDerWaalsContact CD1-CB 3.4Å; I215-W239 HydrophobicContact CD1-CD2 3.87Å; I215-W239 HydrophobicContact CD1-CE3 4.36Å; I215-W239 HydrophobicContact CD1-CG 3.42Å; I215-W239 VanDerWaalsContact CD1-CG 3.42Å; I215-W239 HydrophobicContact CG2-CD2 3.96Å; I215-W239 HydrophobicContact CG2-CE3 4.18Å; I215-W239 HydrophobicContact CG2-CH2 4.26Å; I215-W239 HydrophobicContact CG2-CZ2 4.03Å; I215-W239 HydrophobicContact CG2-CZ3 4.32Å; I235-W239 PolarHBondContact O-N 3.43Å; I235-W239 VanDerWaalsContact O-N 3.17Å; A236-W239 PolarHBondContact O-N 3.32Å; M237-W239 VanDerWaalsContact C-N 3.27Å; M237-W239 PolarHBondContact O-N 3.06Å; W239-R246 HydrophobicContact CE3-CB 4.49Å; W239-R246 HydrophobicContact CH2-CB 4.15Å; W239-R246 HydrophobicContact CH2-CG 3.91Å; W239-R246 HydrophobicContact CZ2-CG 4.29Å; W239-R246 HydrophobicContact CZ3-CB 3.91Å; W239-R246 HydrophobicContact CZ3-CG 4.11Å; W239-R246 WeakPolarHBondContact O-CD 3.44Å; W239-R246 PolarHBondContact O-NH1 3.49Å; W239-Y249 HydrophobicContact CH2-CD2 4.23Å; W239-L253 HydrophobicContact CE3-CD2 3.69Å; W239-L253 HydrophobicContact CZ3-CD2 3.97Å
240	L	96.4	Very high	95.7	Very high	0 Å²	0	54.1 Å²	54.1	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-67.7	-46.7	177.4	-73.8	168.2	0	0	0	112.1	A236 M237 F242 D243 R246 L247 A250 L253 L254	A236-L240 WeakPolarHBondContact O-CG 3.49Å; A236-L240 PolarHBondContact O-N 3Å; M237-L240 PolarHBondContact O-N 3.45Å; M237-L240 VanDerWaalsContact O-N 3.1Å; M237-L240 HydrophobicContact SD-CD1 4.19Å; L240-F242 PolarHBondContact O-N 3.32Å; L240-D243 PolarHBondContact O-N 3.23Å; L240-R246 HydrophobicContact CD2-CB 4.25Å; L240-R246 WeakPolarHBondContact CD2-O 3.43Å; L240-L247 HydrophobicContact CB-CD2 4.32Å; L240-A250 HydrophobicContact CD1-CB 3.88Å; L240-A250 HydrophobicContact CD2-CB 4.09Å; L240-L253 HydrophobicContact CD1-CD2 4.12Å; L240-L253 HydrophobicContact CD2-CD2 4Å; L240-L253 HydrophobicContact CG-CD2 3.85Å; L240-L254 HydrophobicContact CD1-CG 4.39Å
241	D	95.1	Very high	95.7	Very high	95 Å²	95	54.4 Å²	54.4	51%	0.508	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.2	-3.6	-173.6	-63.5	-26.2	0	0	0	113.1	M237 R276	M237-D241 VanDerWaalsContact CE-OD2 3.25Å; M237-D241 WeakPolarHBondContact CE-OD2 3.38Å; M237-D241 WeakPolarHBondContact O-CB 3.15Å; M237-D241 PolarHBondContact O-N 3.47Å; D241-R276 IonicContact OD1-CZ 2.69Å; D241-R276 IonicContact OD1-NH1 3.92Å; D241-R276 PolarHBondContact OD1-NH1 3.29Å; D241-R276 IonicContact OD1-NH2 2.7Å; D241-R276 PolarHBondContact OD1-NH2 3.48Å
242	F	95.4	Very high	95.7	Very high	113 Å²	113	57.2 Å²	57.2	50%	0.496	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.9	-27.1	173.7	-178.9	-98.6	0	0	0	114	L208 L240	L208-F242 HydrophobicContact CB-CD1 4.21Å; L208-F242 HydrophobicContact CB-CD2 3.91Å; L208-F242 HydrophobicContact CB-CE1 4.22Å; L208-F242 HydrophobicContact CB-CE2 3.92Å; L208-F242 HydrophobicContact CB-CG 4.05Å; L208-F242 HydrophobicContact CB-CZ 4.07Å; L208-F242 HydrophobicContact CD1-CD2 3.69Å; L208-F242 HydrophobicContact CD1-CE2 3.74Å; L208-F242 HydrophobicContact CD2-CB 4.37Å; L208-F242 HydrophobicContact CD2-CD2 4.25Å; L208-F242 HydrophobicContact CD2-CG 4.39Å; L208-F242 HydrophobicContact CG-CD2 4.15Å; L208-F242 HydrophobicContact CG-CE2 4.38Å; L240-F242 PolarHBondContact O-N 3.32Å
243	D	93.8	Very high	95.8	Very high	58 Å²	58	57.2 Å²	57.2	31%	0.31	27%	0.27	S	S	.	.			trans	-149.8	119.1	179.3	172.4	8.5	0	0	0	110	L240 K245 R246	L240-D243 PolarHBondContact O-N 3.23Å; D243-K245 PolarHBondContact O-N 3.32Å; D243-K245 WeakPolarHBondContact OD1-CB 3.47Å; D243-K245 WeakPolarHBondContact OD1-CG 3.45Å; D243-K245 PolarHBondContact OD1-N 3.24Å; D243-R246 HydrophobicContact CB-CG 4.04Å; D243-R246 VanDerWaalsContact O-CB 3.26Å; D243-R246 WeakPolarHBondContact O-CB 3.44Å; D243-R246 PolarHBondContact O-N 3.21Å
244	E	92.4	Very high	95.8	Very high	171 Å²	171	57.1 Å²	57.1	80%	0.799	27%	0.269	S	S	*	.	G	3₁₀ helix	trans	-54	-25.7	-179.9	-64.1	-174.5	162.8	0	0	113.5	R246 L247	E244-R246 PolarHBondContact O-N 3.41Å; E244-L247 HydrophobicContact CB-CD1 4.45Å; E244-L247 WeakPolarHBondContact O-CB 3.41Å; E244-L247 VanDerWaalsContact O-CG 3.26Å; E244-L247 WeakPolarHBondContact O-CG 3.46Å; E244-L247 PolarHBondContact O-N 3Å
245	K	94.8	Very high	95.7	Very high	159 Å²	159	55.2 Å²	55.2	69%	0.691	26%	0.264	S	S	*	.	G	3₁₀ helix	trans	-68.8	-17.1	176.3	-62.6	170	-175.1	167.2	0	113.4	D243 K248	D243-K245 PolarHBondContact O-N 3.32Å; D243-K245 WeakPolarHBondContact OD1-CB 3.47Å; D243-K245 WeakPolarHBondContact OD1-CG 3.45Å; D243-K245 PolarHBondContact OD1-N 3.24Å; K245-K248 VanDerWaalsContact O-CE 3.3Å; K245-K248 WeakPolarHBondContact O-CE 3.28Å; K245-K248 WeakPolarHBondContact O-CG 3.27Å
246	R	95.4	Very high	95.8	Very high	30 Å²	30	56.2 Å²	56.2	11%	0.113	27%	0.27	C	S	.	.	G	3₁₀ helix	trans	-81.7	-17.6	177.2	-60.7	174.5	-177.2	-172.4	-3.1	112.6	L208 W239 L240 D243 E244 K248 Y249	L208-R246 VanDerWaalsContact O-CZ 3.3Å; L208-R246 PolarHBondContact O-NH1 2.98Å; L208-R246 PolarHBondContact O-NH2 3.22Å; W239-R246 HydrophobicContact CE3-CB 4.49Å; W239-R246 HydrophobicContact CH2-CB 4.15Å; W239-R246 HydrophobicContact CH2-CG 3.91Å; W239-R246 HydrophobicContact CZ2-CG 4.29Å; W239-R246 HydrophobicContact CZ3-CB 3.91Å; W239-R246 HydrophobicContact CZ3-CG 4.11Å; W239-R246 WeakPolarHBondContact O-CD 3.44Å; W239-R246 PolarHBondContact O-NH1 3.49Å; L240-R246 HydrophobicContact CD2-CB 4.25Å; L240-R246 WeakPolarHBondContact CD2-O 3.43Å; D243-R246 HydrophobicContact CB-CG 4.04Å; D243-R246 VanDerWaalsContact O-CB 3.26Å; D243-R246 WeakPolarHBondContact O-CB 3.44Å; D243-R246 PolarHBondContact O-N 3.21Å; E244-R246 PolarHBondContact O-N 3.41Å; R246-K248 PolarHBondContact O-N 3.39Å; R246-K248 VanDerWaalsContact O-N 3.14Å; R246-Y249 WeakPolarHBondContact O-CB 3.3Å; R246-Y249 PolarHBondContact O-N 2.87Å
247	L	91.9	Very high	95.8	Very high	58 Å²	58	56.2 Å²	56.2	30%	0.304	27%	0.27	S	S	.	.	G	3₁₀ helix	trans	-61.8	-26.6	-175.2	-57.1	-173.8	0	0	0	113.2	L240 E244 Y249 A250 R276	L240-L247 HydrophobicContact CB-CD2 4.32Å; E244-L247 HydrophobicContact CB-CD1 4.45Å; E244-L247 WeakPolarHBondContact O-CB 3.41Å; E244-L247 VanDerWaalsContact O-CG 3.26Å; E244-L247 WeakPolarHBondContact O-CG 3.46Å; E244-L247 PolarHBondContact O-N 3Å; L247-Y249 PolarHBondContact O-N 2.93Å; L247-A250 WeakPolarHBondContact O-CB 3.48Å; L247-A250 PolarHBondContact O-N 3.15Å; L247-R276 VanDerWaalsContact CD2-CZ 3.43Å
248	K	94	Very high	95.7	Very high	145 Å²	145	55.6 Å²	55.6	63%	0.63	27%	0.266	S	S	*	.	G	3₁₀ helix	trans	-60.4	-21.5	170.7	70.8	-176	178.7	147.5	0	114.2	K245 R246	K245-K248 VanDerWaalsContact O-CE 3.3Å; K245-K248 WeakPolarHBondContact O-CE 3.28Å; K245-K248 WeakPolarHBondContact O-CG 3.27Å; R246-K248 PolarHBondContact O-N 3.39Å; R246-K248 VanDerWaalsContact O-N 3.14Å
249	Y	96.5	Very high	95.8	Very high	69 Å²	69	52.4 Å²	52.4	27%	0.271	25%	0.252	S	S	.	.	G	3₁₀ helix	trans	-96.1	0.9	176.8	-55.3	-55.4	0	0	0	112.6	Y212 W239 R246 L247 A251 D252 L253	Y212-Y249 HydrophobicContact CD1-CD1 4.37Å; Y212-Y249 HydrophobicContact CD1-CE1 4.42Å; Y212-Y249 HydrophobicContact CD2-CD1 4.18Å; Y212-Y249 HydrophobicContact CD2-CD2 4.09Å; Y212-Y249 AromaticContact CD2-CG 3.77Å; Y212-Y249 HydrophobicContact CD2-CG 3.77Å; Y212-Y249 HydrophobicContact CE2-CD1 4.41Å; Y212-Y249 HydrophobicContact CE2-CG 4.21Å; Y212-Y249 HydrophobicContact CG-CD1 4.17Å; Y212-Y249 HydrophobicContact CG-CD2 4.13Å; Y212-Y249 HydrophobicContact CG-CE1 4.4Å; Y212-Y249 HydrophobicContact CG-CE2 4.33Å; Y212-Y249 HydrophobicContact CG-CG 4.03Å; W239-Y249 HydrophobicContact CH2-CD2 4.23Å; R246-Y249 WeakPolarHBondContact O-CB 3.3Å; R246-Y249 PolarHBondContact O-N 2.87Å; L247-Y249 PolarHBondContact O-N 2.93Å; Y249-A251 PolarHBondContact O-N 3.03Å; Y249-D252 PolarHBondContact O-N 3.03Å; Y249-L253 VanDerWaalsContact O-CB 3.29Å; Y249-L253 WeakPolarHBondContact O-CB 3.42Å; Y249-L253 PolarHBondContact O-N 3.42Å
250	A	95.9	Very high	95.7	Very high	2 Å²	2	52.4 Å²	52.4	2%	0.017	25%	0.254	C	S	.	.	H	α-helix	trans	-62.1	-46.1	-170.4	0	0	0	0	0	112.5	L240 L247 L254	L240-A250 HydrophobicContact CD1-CB 3.88Å; L240-A250 HydrophobicContact CD2-CB 4.09Å; L247-A250 WeakPolarHBondContact O-CB 3.48Å; L247-A250 PolarHBondContact O-N 3.15Å; A250-L254 WeakPolarHBondContact O-CB 3.43Å; A250-L254 WeakPolarHBondContact O-CG 3.44Å; A250-L254 PolarHBondContact O-N 3.39Å
251	A	95.7	Very high	95.6	Very high	21 Å²	21	53.7 Å²	53.7	17%	0.174	26%	0.262	C	S	.	.	H	α-helix	trans	-58.2	-53.1	177	0	0	0	0	0	111.3	Y249 L254 T255 E282	Y249-A251 PolarHBondContact O-N 3.03Å; A251-L254 PolarHBondContact O-N 3.16Å; A251-T255 WeakPolarHBondContact O-CG2 3.42Å; A251-T255 PolarHBondContact O-N 2.93Å; A251-E282 HydrophobicContact CB-CB 3.74Å
252	D	97.1	Very high	95.6	Very high	88 Å²	88	49.5 Å²	49.5	47%	0.471	24%	0.239	S	C	.	.	H	α-helix	trans	-60.3	-49.2	-178.2	-62.5	-39.9	0	0	0	112.1	Y212 Y249 L254 T255	Y212-D252 WeakPolarHBondContact OH-CB 3.44Å; Y249-D252 PolarHBondContact O-N 3.03Å; D252-L254 VanDerWaalsContact C-N 3.35Å; D252-L254 PolarHBondContact O-N 2.94Å; D252-T255 WeakPolarHBondContact O-CB 3.37Å; D252-T255 PolarHBondContact O-N 2.88Å; D252-T255 PolarHBondContact O-OG1 3.21Å
253	L	97.7	Very high	95.6	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-62	-42.6	179.2	-171.2	68.8	0	0	0	111.5	Y212 I215 L219 A236 W239 L240 Y249 T255 L256	Y212-L253 HydrophobicContact CD2-CD1 4.48Å; Y212-L253 HydrophobicContact CE2-CB 4.21Å; Y212-L253 HydrophobicContact CE2-CD1 4.24Å; I215-L253 HydrophobicContact CD1-CD2 4.39Å; I215-L253 HydrophobicContact CG1-CD1 4.38Å; I215-L253 HydrophobicContact CG2-CD1 3.78Å; I215-L253 HydrophobicContact CG2-CD2 4.48Å; L219-L253 HydrophobicContact CD1-CD1 3.96Å; L219-L253 HydrophobicContact CD1-CG 4.23Å; A236-L253 HydrophobicContact CB-CD2 4.12Å; A236-L253 HydrophobicContact CB-CG 4.43Å; W239-L253 HydrophobicContact CE3-CD2 3.69Å; W239-L253 HydrophobicContact CZ3-CD2 3.97Å; L240-L253 HydrophobicContact CD1-CD2 4.12Å; L240-L253 HydrophobicContact CD2-CD2 4Å; L240-L253 HydrophobicContact CG-CD2 3.85Å; Y249-L253 VanDerWaalsContact O-CB 3.29Å; Y249-L253 WeakPolarHBondContact O-CB 3.42Å; Y249-L253 PolarHBondContact O-N 3.42Å; L253-T255 VanDerWaalsContact C-N 3.27Å; L253-T255 PolarHBondContact O-N 3.35Å; L253-L256 HydrophobicContact CD1-CD1 4.34Å; L253-L256 VanDerWaalsContact O-CB 3.32Å; L253-L256 WeakPolarHBondContact O-CB 3.25Å; L253-L256 PolarHBondContact O-N 3.08Å; L253-L256 VanDerWaalsContact O-N 3.16Å
254	L	97.3	Very high	95.6	Very high	0 Å²	0	45 Å²	45	0%	0	23%	0.229	C	C	.	.	H	α-helix	trans	-71.6	-19.4	179.8	-66.7	175.9	0	0	0	112.6	F233 A236 M237 L240 A250 A251 D252 L256 I257 F259 M277 L286	F233-L254 HydrophobicContact CD2-CD2 3.73Å; F233-L254 HydrophobicContact CE2-CD1 4.39Å; F233-L254 HydrophobicContact CE2-CD2 3.84Å; A236-L254 HydrophobicContact CB-CD2 4.07Å; M237-L254 HydrophobicContact SD-CD1 4.29Å; L240-L254 HydrophobicContact CD1-CG 4.39Å; A250-L254 WeakPolarHBondContact O-CB 3.43Å; A250-L254 WeakPolarHBondContact O-CG 3.44Å; A250-L254 PolarHBondContact O-N 3.39Å; A251-L254 PolarHBondContact O-N 3.16Å; D252-L254 VanDerWaalsContact C-N 3.35Å; D252-L254 PolarHBondContact O-N 2.94Å; L254-L256 PolarHBondContact O-N 3.35Å; L254-I257 HydrophobicContact CD2-CG1 4.1Å; L254-I257 WeakPolarHBondContact O-CB 3.15Å; L254-I257 PolarHBondContact O-N 2.73Å; L254-I257 VanDerWaalsContact O-N 3.11Å; L254-F259 HydrophobicContact CB-CE2 4.45Å; L254-F259 WeakPolarHBondContact O-CE2 3.35Å; L254-M277 HydrophobicContact CD1-SD 3.83Å; L254-L286 HydrophobicContact CB-CD1 3.93Å
255	T	96.6	Very high	95.8	Very high	56 Å²	56	42.4 Å²	42.4	34%	0.344	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.7	-22.4	169.8	74.7	0	0	0	0	113.2	A251 D252 L253 I257 L286	A251-T255 WeakPolarHBondContact O-CG2 3.42Å; A251-T255 PolarHBondContact O-N 2.93Å; D252-T255 WeakPolarHBondContact O-CB 3.37Å; D252-T255 PolarHBondContact O-N 2.88Å; D252-T255 PolarHBondContact O-OG1 3.21Å; L253-T255 VanDerWaalsContact C-N 3.27Å; L253-T255 PolarHBondContact O-N 3.35Å; T255-I257 VanDerWaalsContact C-N 3.27Å; T255-I257 PolarHBondContact O-N 3.44Å; T255-L286 HydrophobicContact CG2-CD1 4.26Å; T255-L286 HydrophobicContact CG2-CD2 4.21Å
256	L	97.5	Very high	95.8	Very high	28 Å²	28	37.5 Å²	37.5	15%	0.147	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.1	-11	178.3	-53.4	179.8	0	0	0	113.2	L219 L253 L254 R311	L219-L256 HydrophobicContact CB-CB 3.86Å; L219-L256 HydrophobicContact CB-CD1 3.91Å; L253-L256 HydrophobicContact CD1-CD1 4.34Å; L253-L256 VanDerWaalsContact O-CB 3.32Å; L253-L256 WeakPolarHBondContact O-CB 3.25Å; L253-L256 PolarHBondContact O-N 3.08Å; L253-L256 VanDerWaalsContact O-N 3.16Å; L254-L256 PolarHBondContact O-N 3.35Å; L256-R311 PolarHBondContact O-NH2 3.42Å
257	I	97.4	Very high	95.9	Very high	0 Å²	0	36 Å²	36	0%	0	19%	0.193	C	C	.	.	S	Bend	trans	-84.6	136.6	175.3	-53	-55.8	0	0	0	110	L219 A232 F233 A236 L254 T255 F259	L219-I257 HydrophobicContact CD1-CD1 4.22Å; L219-I257 HydrophobicContact CD2-CD1 4.31Å; A232-I257 HydrophobicContact CB-CD1 3.73Å; F233-I257 HydrophobicContact CB-CG2 4.14Å; A236-I257 HydrophobicContact CB-CD1 4.27Å; L254-I257 HydrophobicContact CD2-CG1 4.1Å; L254-I257 WeakPolarHBondContact O-CB 3.15Å; L254-I257 PolarHBondContact O-N 2.73Å; L254-I257 VanDerWaalsContact O-N 3.11Å; T255-I257 VanDerWaalsContact C-N 3.27Å; T255-I257 PolarHBondContact O-N 3.44Å; I257-F259 VanDerWaalsContact C-N 3.33Å; I257-F259 HydrophobicContact CB-CD2 4.14Å; I257-F259 HydrophobicContact CB-CE1 4.35Å; I257-F259 HydrophobicContact CB-CE2 3.74Å; I257-F259 HydrophobicContact CB-CZ 3.86Å; I257-F259 HydrophobicContact CG1-CZ 4.4Å; I257-F259 HydrophobicContact CG2-CD1 3.96Å; I257-F259 HydrophobicContact CG2-CD2 4.16Å; I257-F259 HydrophobicContact CG2-CE1 3.76Å; I257-F259 HydrophobicContact CG2-CE2 4Å; I257-F259 HydrophobicContact CG2-CG 4.15Å; I257-F259 HydrophobicContact CG2-CZ 3.79Å; I257-F259 PolarHBondContact O-N 3.26Å
258	R	96.1	Very high	96.2	Very high	1 Å²	1	36.5 Å²	36.5	0%	0.004	20%	0.198	C	C	.	.			trans	-96.2	62.2	-174.3	-48.4	-175.5	-168.1	-161	-4.3	110.7	D222 E229 G260 T261 R307 K309 V310	D222-R258 IonicContact OD1-CZ 2.7Å; D222-R258 IonicContact OD1-NH2 3.47Å; D222-R258 PolarHBondContact OD1-NH2 2.75Å; D222-R258 IonicContact OD2-NH2 2.84Å; E229-R258 VanDerWaalsContact CD-CB 3.49Å; E229-R258 HydrophobicContact CG-CB 3.89Å; E229-R258 WeakPolarHBondContact OE1-CD 3.5Å; E229-R258 WeakPolarHBondContact OE1-CG 3.38Å; E229-R258 IonicContact OE1-NE 3.49Å; E229-R258 PolarHBondContact OE2-N 2.97Å; R258-G260 PolarHBondContact O-N 3.11Å; R258-G260 VanDerWaalsContact O-N 3.08Å; R258-T261 HydrophobicContact CB-CG2 4.39Å; R258-T261 PolarHBondContact O-N 3.19Å; R258-T261 PolarHBondContact O-OG1 2.8Å; R258-R307 CarbonylContact C-O 3.59Å; R258-R307 WeakPolarHBondContact CA-O 3.12Å; R258-R307 WeakPolarHBondContact CB-O 3.36Å; R258-K309 WeakPolarHBondContact CD-O 3.36Å; R258-K309 PolarHBondContact NH1-O 3.05Å; R258-V310 VanDerWaalsContact NH1-C 3.35Å; R258-V310 PolarHBondContact NH1-O 3.33Å; R258-V310 VanDerWaalsContact NH1-O 3.16Å
259	F	96.9	Very high	96.3	Very high	2 Å²	2	33.4 Å²	33.4	1%	0.009	19%	0.188	C	C	.	.	G	3₁₀ helix	trans	-50.7	-34.7	-176.1	-66.9	-72.7	0	0	0	113.8	F233 L254 I257 T261 I262 L267 V271 M277 L286 A290	F233-F259 AromaticContact CD2-CE1 3.59Å; F233-F259 HydrophobicContact CD2-CE1 3.59Å; F233-F259 AromaticContact CD2-CZ 3.68Å; F233-F259 HydrophobicContact CD2-CZ 3.68Å; F233-F259 HydrophobicContact CE2-CE1 4.01Å; F233-F259 AromaticContact CE2-CZ 3.99Å; F233-F259 HydrophobicContact CE2-CZ 3.99Å; F233-F259 HydrophobicContact CG-CE1 4.16Å; L254-F259 HydrophobicContact CB-CE2 4.45Å; L254-F259 WeakPolarHBondContact O-CE2 3.35Å; I257-F259 VanDerWaalsContact C-N 3.33Å; I257-F259 HydrophobicContact CB-CD2 4.14Å; I257-F259 HydrophobicContact CB-CE1 4.35Å; I257-F259 HydrophobicContact CB-CE2 3.74Å; I257-F259 HydrophobicContact CB-CZ 3.86Å; I257-F259 HydrophobicContact CG1-CZ 4.4Å; I257-F259 HydrophobicContact CG2-CD1 3.96Å; I257-F259 HydrophobicContact CG2-CD2 4.16Å; I257-F259 HydrophobicContact CG2-CE1 3.76Å; I257-F259 HydrophobicContact CG2-CE2 4Å; I257-F259 HydrophobicContact CG2-CG 4.15Å; I257-F259 HydrophobicContact CG2-CZ 3.79Å; I257-F259 PolarHBondContact O-N 3.26Å; F259-T261 PolarHBondContact O-N 3.49Å; F259-T261 VanDerWaalsContact O-N 3.08Å; F259-I262 HydrophobicContact CD1-CD1 3.9Å; F259-I262 WeakPolarHBondContact O-CB 3.36Å; F259-I262 PolarHBondContact O-N 3.17Å; F259-L267 HydrophobicContact CB-CD2 4.18Å; F259-L267 HydrophobicContact CD1-CD2 4.07Å; F259-V271 HydrophobicContact CD1-CG1 3.93Å; F259-V271 HydrophobicContact CD1-CG2 4.15Å; F259-V271 HydrophobicContact CE1-CB 4.44Å; F259-V271 HydrophobicContact CE1-CG1 3.51Å; F259-V271 HydrophobicContact CE1-CG2 4.01Å; F259-V271 HydrophobicContact CZ-CG1 4.38Å; F259-M277 HydrophobicContact CE1-CE 4.23Å; F259-M277 HydrophobicContact CE2-CE 4.32Å; F259-M277 HydrophobicContact CZ-CE 3.85Å; F259-L286 HydrophobicContact CD2-CB 4.09Å; F259-L286 HydrophobicContact CE2-CB 4.05Å; F259-L286 HydrophobicContact CE2-CD1 4.11Å; F259-A290 HydrophobicContact CB-CB 3.56Å
260	G	94.8	Very high	96.2	Very high	5 Å²	5	33.9 Å²	33.9	5%	0.052	19%	0.193	C	C	.	.	G	3₁₀ helix	trans	-69.6	1.6	175.3	0	0	0	0	0	115.6	R258	R258-G260 PolarHBondContact O-N 3.11Å; R258-G260 VanDerWaalsContact O-N 3.08Å
261	T	94.6	Very high	96.3	Very high	27 Å²	27	33.8 Å²	33.8	17%	0.166	19%	0.192	C	C	.	.	G	3₁₀ helix	trans	-114.1	-0.7	170.9	68.7	0	0	0	0	113.3	E229 R258 F259 T308 F395	E229-T261 WeakPolarHBondContact CG-OG1 3.49Å; R258-T261 HydrophobicContact CB-CG2 4.39Å; R258-T261 PolarHBondContact O-N 3.19Å; R258-T261 PolarHBondContact O-OG1 2.8Å; F259-T261 PolarHBondContact O-N 3.49Å; F259-T261 VanDerWaalsContact O-N 3.08Å; T261-T308 VanDerWaalsContact CG2-C 3.46Å; T261-T308 VanDerWaalsContact CG2-O 3.3Å; T261-T308 WeakPolarHBondContact CG2-O 3.48Å; T261-F395 WeakPolarHBondContact O-CE1 3.47Å
262	I	96	Very high	96.3	Very high	6 Å²	6	36.5 Å²	36.5	3%	0.031	20%	0.201	C	C	.	.	S	Bend	trans	-78.5	151	164.4	-60.2	178.5	0	0	0	107.7	E229 V230 F259 D266 L267 V271 H294 F395	E229-I262 HydrophobicContact CB-CD1 3.94Å; E229-I262 HydrophobicContact CB-CG1 3.56Å; V230-I262 HydrophobicContact CG2-CB 4.48Å; V230-I262 HydrophobicContact CG2-CD1 4.12Å; V230-I262 HydrophobicContact CG2-CG1 4.16Å; V230-I262 HydrophobicContact CG2-CG2 3.59Å; F259-I262 HydrophobicContact CD1-CD1 3.9Å; F259-I262 WeakPolarHBondContact O-CB 3.36Å; F259-I262 PolarHBondContact O-N 3.17Å; I262-D266 HydrophobicContact CG2-CB 3.53Å; I262-L267 HydrophobicContact CB-CD2 3.85Å; I262-L267 HydrophobicContact CB-CG 4.07Å; I262-L267 HydrophobicContact CD1-CD2 4.22Å; I262-L267 HydrophobicContact CG2-CD2 3.89Å; I262-L267 HydrophobicContact CG2-CG 3.89Å; I262-V271 HydrophobicContact CD1-CG2 4.17Å; I262-H294 PolarHBondContact O-CE1 3.5Å; I262-H294 PolarHBondContact O-NE2 3.29Å; I262-F395 WeakPolarHBondContact O-CE1 3.35Å
263	S	94.6	Very high	96.3	Very high	34 Å²	34	35.9 Å²	35.9	24%	0.238	20%	0.203	C	C	.	.			trans	-72.1	151.9	176	89	0	0	0	0	110.9	Q265 D266 L267	S263-Q265 PolarHBondContact O-N 2.58Å; S263-Q265 PolarHBondContact OG-N 3.17Å; S263-D266 VanDerWaalsContact CB-OD2 3.32Å; S263-D266 WeakPolarHBondContact CB-OD2 3.3Å; S263-D266 PolarHBondContact O-N 2.69Å; S263-D266 PolarHBondContact OG-N 3.28Å; S263-D266 VanDerWaalsContact OG-N 3.13Å; S263-D266 PolarHBondContact OG-OD2 3.27Å; S263-L267 WeakPolarHBondContact O-CG 3.34Å; S263-L267 PolarHBondContact O-N 2.94Å
264	A	94.9	Very high	96.2	Very high	43 Å²	43	37.4 Å²	37.4	36%	0.355	21%	0.213	S	C	.	.	H	α-helix	trans	-57.2	-33	177	0	0	0	0	0	112.8	V268 H294	A264-V268 WeakPolarHBondContact O-CG2 3.39Å; A264-V268 PolarHBondContact O-N 3.02Å; A264-H294 HydrophobicContact CB-CB 4.22Å
265	Q	95.1	Very high	96	Very high	116 Å²	116	41.1 Å²	41.1	54%	0.542	24%	0.237	S	C	.	.	H	α-helix	trans	-68.3	-42	175.8	-175.2	61.9	67.4	0	0	111.9	S263 V268 N269	S263-Q265 PolarHBondContact O-N 2.58Å; S263-Q265 PolarHBondContact OG-N 3.17Å; Q265-V268 PolarHBondContact O-N 3.31Å; Q265-N269 PolarHBondContact NE2-ND2 3.19Å; Q265-N269 PolarHBondContact NE2-OD1 2.87Å; Q265-N269 WeakPolarHBondContact O-CB 3.16Å; Q265-N269 PolarHBondContact O-N 2.97Å; Q265-N269 PolarHBondContact O-ND2 2.84Å; Q265-N269 PolarHBondContact O-OD1 3.01Å
266	D	96.4	Very high	95.8	Very high	56 Å²	56	41 Å²	41	30%	0.299	23%	0.23	S	C	.	.	H	α-helix	trans	-73.9	-31.2	179.9	-59.2	-43.8	0	0	0	111.9	V230 I262 S263 V268 N269 H270	V230-D266 HydrophobicContact CG2-CB 4Å; I262-D266 HydrophobicContact CG2-CB 3.53Å; S263-D266 VanDerWaalsContact CB-OD2 3.32Å; S263-D266 WeakPolarHBondContact CB-OD2 3.3Å; S263-D266 PolarHBondContact O-N 2.69Å; S263-D266 PolarHBondContact OG-N 3.28Å; S263-D266 VanDerWaalsContact OG-N 3.13Å; S263-D266 PolarHBondContact OG-OD2 3.27Å; D266-V268 VanDerWaalsContact C-N 3.35Å; D266-N269 PolarHBondContact O-N 3.47Å; D266-H270 WeakPolarHBondContact O-CB 3.48Å; D266-H270 PolarHBondContact O-N 3.32Å; D266-H270 IonicContact OD1-CD2 2.69Å
267	L	97.4	Very high	95.8	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	22%	0.223	C	C	.	.	I	π-helix	trans	-59.1	-45.8	169.4	-72.7	176.4	0	0	0	110.9	F259 I262 S263 V271 Q272 L287 A290 M291	F259-L267 HydrophobicContact CB-CD2 4.18Å; F259-L267 HydrophobicContact CD1-CD2 4.07Å; I262-L267 HydrophobicContact CB-CD2 3.85Å; I262-L267 HydrophobicContact CB-CG 4.07Å; I262-L267 HydrophobicContact CD1-CD2 4.22Å; I262-L267 HydrophobicContact CG2-CD2 3.89Å; I262-L267 HydrophobicContact CG2-CG 3.89Å; S263-L267 WeakPolarHBondContact O-CG 3.34Å; S263-L267 PolarHBondContact O-N 2.94Å; L267-V271 HydrophobicContact CD2-CB 4.29Å; L267-V271 HydrophobicContact CD2-CG2 4.01Å; L267-V271 WeakPolarHBondContact O-CB 3.37Å; L267-V271 PolarHBondContact O-N 2.91Å; L267-V271 VanDerWaalsContact O-N 3.16Å; L267-Q272 WeakPolarHBondContact O-CB 3.33Å; L267-Q272 PolarHBondContact O-N 3.01Å; L267-L287 HydrophobicContact CB-CD1 4.39Å; L267-L287 HydrophobicContact CD2-CD1 4.31Å; L267-A290 HydrophobicContact CD1-CB 3.81Å; L267-A290 HydrophobicContact CD2-CB 4.41Å; L267-M291 HydrophobicContact CB-CE 3.6Å; L267-M291 HydrophobicContact CB-SD 4.22Å; L267-M291 HydrophobicContact CD1-CE 4.46Å; L267-M291 HydrophobicContact CD1-SD 4.07Å
268	V	96.8	Very high	95.7	Very high	67 Å²	67	44 Å²	44	41%	0.406	24%	0.244	S	C	.	.	I	π-helix	trans	-66.1	-47.9	175.8	176.7	0	0	0	0	111.2	A264 Q265 D266 M291	A264-V268 WeakPolarHBondContact O-CG2 3.39Å; A264-V268 PolarHBondContact O-N 3.02Å; Q265-V268 PolarHBondContact O-N 3.31Å; D266-V268 VanDerWaalsContact C-N 3.35Å; V268-M291 HydrophobicContact CG2-CE 3.71Å
269	N	96.1	Very high	95.6	Very high	80 Å²	80	51.2 Å²	51.2	43%	0.428	28%	0.278	S	S	.	.	I	π-helix	trans	-71.7	-40.3	-172.3	-70.1	-8	0	0	0	113.6	Q265 D266 S273	Q265-N269 PolarHBondContact NE2-ND2 3.19Å; Q265-N269 PolarHBondContact NE2-OD1 2.87Å; Q265-N269 WeakPolarHBondContact O-CB 3.16Å; Q265-N269 PolarHBondContact O-N 2.97Å; Q265-N269 PolarHBondContact O-ND2 2.84Å; Q265-N269 PolarHBondContact O-OD1 3.01Å; D266-N269 PolarHBondContact O-N 3.47Å; N269-S273 WeakPolarHBondContact O-CB 3.44Å; N269-S273 PolarHBondContact O-OG 2.88Å
270	H	96.3	Very high	95.5	Very high	80 Å²	80	53.8 Å²	53.8	37%	0.37	29%	0.292	S	S	.	.	I	π-helix	trans	-116	-24.5	-167.1	-60.2	-60.4	0	0	0	114.6	V230 F233 D266	V230-H270 HydrophobicContact CG1-CB 3.78Å; F233-H270 WeakPolarHBondContact CE1-O 3.46Å; D266-H270 WeakPolarHBondContact O-CB 3.48Å; D266-H270 PolarHBondContact O-N 3.32Å; D266-H270 IonicContact OD1-CD2 2.69Å
271	V	97.2	Very high	95.6	Very high	0 Å²	0	58.2 Å²	58.2	0%	0	32%	0.32	C	S	.	.	I	π-helix	trans	-102.6	-53	-177.4	-176.8	0	0	0	0	111.1	F233 F259 I262 L267 S273 V274 M277 L287	F233-V271 HydrophobicContact CD1-CG2 3.99Å; F233-V271 HydrophobicContact CE1-CB 4.33Å; F233-V271 HydrophobicContact CE1-CG1 4.38Å; F233-V271 HydrophobicContact CE1-CG2 4.11Å; F233-V271 HydrophobicContact CE2-CG1 4.24Å; F233-V271 HydrophobicContact CG-CG2 4.35Å; F233-V271 HydrophobicContact CZ-CB 4.49Å; F233-V271 HydrophobicContact CZ-CG1 4.05Å; F259-V271 HydrophobicContact CD1-CG1 3.93Å; F259-V271 HydrophobicContact CD1-CG2 4.15Å; F259-V271 HydrophobicContact CE1-CB 4.44Å; F259-V271 HydrophobicContact CE1-CG1 3.51Å; F259-V271 HydrophobicContact CE1-CG2 4.01Å; F259-V271 HydrophobicContact CZ-CG1 4.38Å; I262-V271 HydrophobicContact CD1-CG2 4.17Å; L267-V271 HydrophobicContact CD2-CB 4.29Å; L267-V271 HydrophobicContact CD2-CG2 4.01Å; L267-V271 WeakPolarHBondContact O-CB 3.37Å; L267-V271 PolarHBondContact O-N 2.91Å; L267-V271 VanDerWaalsContact O-N 3.16Å; V271-S273 PolarHBondContact O-N 3.44Å; V271-V274 WeakPolarHBondContact O-CB 3.02Å; V271-V274 PolarHBondContact O-N 3.45Å; V271-V274 VanDerWaalsContact O-N 3.14Å; V271-M277 HydrophobicContact CG1-CE 3.74Å; V271-M277 HydrophobicContact CG1-CG 3.87Å; V271-M277 HydrophobicContact CG1-SD 4.34Å; V271-M277 WeakPolarHBondContact O-CB 3.28Å; V271-M277 VanDerWaalsContact O-CG 3.29Å; V271-M277 WeakPolarHBondContact O-CG 3.48Å; V271-L287 HydrophobicContact CB-CD1 4.37Å; V271-L287 HydrophobicContact CG1-CD1 3.96Å
272	Q	96.3	Very high	95.7	Very high	78 Å²	78	61.3 Å²	61.3	36%	0.364	33%	0.333	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.4	-27.4	179.4	-174.5	178.9	-16.9	0	0	113	L267 V274 M278 L287	L267-Q272 WeakPolarHBondContact O-CB 3.33Å; L267-Q272 PolarHBondContact O-N 3.01Å; Q272-V274 PolarHBondContact O-N 3.45Å; Q272-M278 HydrophobicContact CG-SD 3.85Å; Q272-L287 HydrophobicContact CB-CD2 3.86Å; Q272-L287 HydrophobicContact CG-CD2 4.02Å
273	S	95.5	Very high	95.7	Very high	74 Å²	74	61 Å²	61	52%	0.517	33%	0.331	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.2	-17	176.1	53	0	0	0	0	113.8	N269 V271 P275	N269-S273 WeakPolarHBondContact O-CB 3.44Å; N269-S273 PolarHBondContact O-OG 2.88Å; V271-S273 PolarHBondContact O-N 3.44Å; S273-P275 WeakPolarHBondContact O-CD 3.43Å
274	V	96.1	Very high	95.9	Very high	32 Å²	32	62.5 Å²	62.5	19%	0.194	33%	0.334	C	S	.	.	S	Bend	trans	-80.6	119.2	175.7	176.6	0	0	0	0	109.7	F233 M237 V271 Q272 R276 M277	F233-V274 HydrophobicContact CE1-CG2 3.76Å; F233-V274 HydrophobicContact CZ-CB 4.17Å; F233-V274 HydrophobicContact CZ-CG1 4.44Å; F233-V274 HydrophobicContact CZ-CG2 3.86Å; M237-V274 HydrophobicContact CE-CG1 3.65Å; M237-V274 HydrophobicContact SD-CG1 4.27Å; V271-V274 WeakPolarHBondContact O-CB 3.02Å; V271-V274 PolarHBondContact O-N 3.45Å; V271-V274 VanDerWaalsContact O-N 3.14Å; Q272-V274 PolarHBondContact O-N 3.45Å; V274-R276 HydrophobicContact CG1-CB 4.27Å; V274-R276 PolarHBondContact O-N 2.9Å; V274-M277 HydrophobicContact CB-CG 4.17Å; V274-M277 HydrophobicContact CG1-CG 4.45Å; V274-M277 WeakPolarHBondContact O-CB 3.47Å; V274-M277 PolarHBondContact O-N 3.08Å
275	P	94.3	Very high	96	Very high	79 Å²	79	65.3 Å²	65.3	51%	0.513	34%	0.336	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.6	-34.1	-174	-29.1	35.6	0	0	0	114.6	S273 M277 M278 Q279	S273-P275 WeakPolarHBondContact O-CD 3.43Å; P275-M277 VanDerWaalsContact C-N 3.3Å; P275-M277 PolarHBondContact O-N 3.41Å; P275-M278 PolarHBondContact O-N 2.94Å; P275-Q279 WeakPolarHBondContact O-CB 3.49Å; P275-Q279 VanDerWaalsContact O-CG 3.3Å; P275-Q279 WeakPolarHBondContact O-CG 3.35Å; P275-Q279 PolarHBondContact O-N 2.86Å
276	R	92.4	Very high	96.1	Very high	52 Å²	52	59.9 Å²	59.9	20%	0.196	31%	0.311	C	S	.	.	H	α-helix	trans	-60.3	-36	177.9	-171.6	165.8	-63.7	121.6	10.4	113.2	D241 L247 V274 M278 Q279 D280	D241-R276 IonicContact OD1-CZ 2.69Å; D241-R276 IonicContact OD1-NH1 3.92Å; D241-R276 PolarHBondContact OD1-NH1 3.29Å; D241-R276 IonicContact OD1-NH2 2.7Å; D241-R276 PolarHBondContact OD1-NH2 3.48Å; L247-R276 VanDerWaalsContact CD2-CZ 3.43Å; V274-R276 HydrophobicContact CG1-CB 4.27Å; V274-R276 PolarHBondContact O-N 2.9Å; R276-M278 PolarHBondContact O-N 3.21Å; R276-M278 VanDerWaalsContact O-N 3.16Å; R276-Q279 PolarHBondContact O-N 3.16Å; R276-D280 HydrophobicContact CG-CB 4.18Å; R276-D280 WeakPolarHBondContact O-CB 3.37Å; R276-D280 PolarHBondContact O-N 2.98Å
277	M	96.3	Very high	96.1	Very high	0 Å²	0	57.5 Å²	57.5	0%	0	30%	0.298	C	S	.	.	H	α-helix	trans	-70.3	-6.9	177.2	-59.9	-57.3	-62	0	0	113.3	F233 L254 F259 V271 V274 P275 C283 H284 L287	F233-M277 HydrophobicContact CE2-CG 4.17Å; F233-M277 HydrophobicContact CE2-SD 3.85Å; F233-M277 HydrophobicContact CZ-CG 3.9Å; F233-M277 HydrophobicContact CZ-SD 4.21Å; L254-M277 HydrophobicContact CD1-SD 3.83Å; F259-M277 HydrophobicContact CE1-CE 4.23Å; F259-M277 HydrophobicContact CE2-CE 4.32Å; F259-M277 HydrophobicContact CZ-CE 3.85Å; V271-M277 HydrophobicContact CG1-CE 3.74Å; V271-M277 HydrophobicContact CG1-CG 3.87Å; V271-M277 HydrophobicContact CG1-SD 4.34Å; V271-M277 WeakPolarHBondContact O-CB 3.28Å; V271-M277 VanDerWaalsContact O-CG 3.29Å; V271-M277 WeakPolarHBondContact O-CG 3.48Å; V274-M277 HydrophobicContact CB-CG 4.17Å; V274-M277 HydrophobicContact CG1-CG 4.45Å; V274-M277 WeakPolarHBondContact O-CB 3.47Å; V274-M277 PolarHBondContact O-N 3.08Å; P275-M277 VanDerWaalsContact C-N 3.3Å; P275-M277 PolarHBondContact O-N 3.41Å; M277-C283 HydrophobicContact CE-CB 4.35Å; M277-C283 WeakPolarHBondContact CE-O 3.42Å; M277-C283 HydrophobicContact SD-CB 3.89Å; M277-H284 VanDerWaalsContact O-CA 3.28Å; M277-H284 WeakPolarHBondContact O-CA 3.21Å; M277-H284 WeakPolarHBondContact O-CB 3.44Å; M277-H284 PolarHBondContact O-ND1 2.85Å; M277-L287 HydrophobicContact CB-CD2 4.32Å; M277-L287 HydrophobicContact CE-CB 4.03Å
278	M	95.1	Very high	96	Very high	91 Å²	91	60.2 Å²	60.2	45%	0.448	31%	0.314	S	S	.	.	H	α-helix	trans	-116.5	-21.2	177	-62.4	-58.4	-59.7	0	0	113.3	Q272 P275 R276 L287	Q272-M278 HydrophobicContact CG-SD 3.85Å; P275-M278 PolarHBondContact O-N 2.94Å; R276-M278 PolarHBondContact O-N 3.21Å; R276-M278 VanDerWaalsContact O-N 3.16Å; M278-L287 HydrophobicContact SD-CD2 4.09Å
279	Q	93.6	Very high	96	Very high	153 Å²	153	59.4 Å²	59.4	72%	0.715	31%	0.308	S	S	*	.	H	α-helix	trans	-100.6	-35.8	-176.1	-69	172.6	0.9	0	0	113.4	P275 R276	P275-Q279 WeakPolarHBondContact O-CB 3.49Å; P275-Q279 VanDerWaalsContact O-CG 3.3Å; P275-Q279 WeakPolarHBondContact O-CG 3.35Å; P275-Q279 PolarHBondContact O-N 2.86Å; R276-Q279 PolarHBondContact O-N 3.16Å
280	D	95.4	Very high	96	Very high	56 Å²	56	55.8 Å²	55.8	30%	0.299	29%	0.288	S	S	.	.	S	Bend	trans	-86.6	124	177.6	178.6	-89.2	0	0	0	110.3	R276 E282 C283 H284	R276-D280 HydrophobicContact CG-CB 4.18Å; R276-D280 WeakPolarHBondContact O-CB 3.37Å; R276-D280 PolarHBondContact O-N 2.98Å; D280-E282 PolarHBondContact O-N 2.66Å; D280-E282 PolarHBondContact OD1-N 2.91Å; D280-E282 VanDerWaalsContact OD1-N 3.11Å; D280-C283 HydrophobicContact CB-CB 3.93Å; D280-C283 PolarHBondContact O-N 2.69Å; D280-C283 WeakPolarHBondContact OD1-CB 3.22Å; D280-C283 PolarHBondContact OD1-N 2.82Å; D280-C283 PolarHBondContact OD1-SG 2.94Å; D280-H284 VanDerWaalsContact O-CB 3.27Å; D280-H284 WeakPolarHBondContact O-CB 3.42Å; D280-H284 PolarHBondContact O-N 2.96Å
281	P	96.6	Very high	96	Very high	99 Å²	99	53.8 Å²	53.8	64%	0.643	28%	0.28	S	S	*	.	H	α-helix	trans	-60.5	-38	-174.5	-26.6	35.4	0	0	0	114.7	R285	P281-R285 WeakPolarHBondContact O-CB 3.43Å; P281-R285 PolarHBondContact O-N 3.39Å
282	E	96.8	Very high	95.9	Very high	91 Å²	91	57.1 Å²	57.1	43%	0.425	30%	0.298	S	S	.	.	H	α-helix	trans	-76.5	-41.9	-178.8	-72.6	-56.8	132.7	0	0	111.2	A251 D280 H284 R285 L286	A251-E282 HydrophobicContact CB-CB 3.74Å; D280-E282 PolarHBondContact O-N 2.66Å; D280-E282 PolarHBondContact OD1-N 2.91Å; D280-E282 VanDerWaalsContact OD1-N 3.11Å; E282-H284 VanDerWaalsContact C-N 3.29Å; E282-H284 PolarHBondContact O-N 2.87Å; E282-R285 WeakPolarHBondContact O-CB 3.25Å; E282-R285 PolarHBondContact O-N 3.41Å; E282-R285 IonicContact OE1-NE 3.63Å; E282-R285 IonicContact OE2-CZ 2.77Å; E282-R285 VanDerWaalsContact OE2-CZ 3.22Å; E282-R285 IonicContact OE2-NE 2.66Å; E282-R285 PolarHBondContact OE2-NE 2.99Å; E282-R285 IonicContact OE2-NH2 3.92Å; E282-R285 PolarHBondContact OE2-NH2 3.28Å; E282-L286 WeakPolarHBondContact O-CG 3.28Å; E282-L286 PolarHBondContact O-N 2.94Å; E282-L286 VanDerWaalsContact O-N 3.08Å
283	C	96.9	Very high	95.8	Very high	0 Å²	0	53.6 Å²	53.6	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-60.1	-42	172.3	-60	0	0	0	0	111	M277 D280 R285 L286 L287	M277-C283 HydrophobicContact CE-CB 4.35Å; M277-C283 WeakPolarHBondContact CE-O 3.42Å; M277-C283 HydrophobicContact SD-CB 3.89Å; D280-C283 HydrophobicContact CB-CB 3.93Å; D280-C283 PolarHBondContact O-N 2.69Å; D280-C283 WeakPolarHBondContact OD1-CB 3.22Å; D280-C283 PolarHBondContact OD1-N 2.82Å; D280-C283 PolarHBondContact OD1-SG 2.94Å; C283-R285 PolarHBondContact O-N 3.19Å; C283-L286 WeakPolarHBondContact O-CB 3.17Å; C283-L286 PolarHBondContact O-N 3.49Å; C283-L287 PolarHBondContact O-N 3.01Å
284	H	97.6	Very high	95.7	Very high	65 Å²	65	52 Å²	52	30%	0.301	27%	0.265	S	S	.	.	H	α-helix	trans	-63.5	-40.6	176.3	-169	62.6	0	0	0	112.2	M277 D280 E282 L286 L287 V288	M277-H284 VanDerWaalsContact O-CA 3.28Å; M277-H284 WeakPolarHBondContact O-CA 3.21Å; M277-H284 WeakPolarHBondContact O-CB 3.44Å; M277-H284 PolarHBondContact O-ND1 2.85Å; D280-H284 VanDerWaalsContact O-CB 3.27Å; D280-H284 WeakPolarHBondContact O-CB 3.42Å; D280-H284 PolarHBondContact O-N 2.96Å; E282-H284 VanDerWaalsContact C-N 3.29Å; E282-H284 PolarHBondContact O-N 2.87Å; H284-L286 VanDerWaalsContact C-N 3.31Å; H284-L286 PolarHBondContact O-N 3.48Å; H284-L287 WeakPolarHBondContact O-CB 3.31Å; H284-L287 PolarHBondContact O-N 2.71Å; H284-L287 VanDerWaalsContact O-N 3.15Å; H284-V288 WeakPolarHBondContact O-CG2 3.33Å; H284-V288 PolarHBondContact O-N 3.26Å
285	R	97.3	Very high	95.6	Very high	102 Å²	102	56.7 Å²	56.7	39%	0.385	29%	0.288	S	S	.	.	H	α-helix	trans	-59.2	-39.4	173.4	-169.1	-176.7	58.6	65.3	1.2	112.2	P281 E282 C283 L287 V288 D289	P281-R285 WeakPolarHBondContact O-CB 3.43Å; P281-R285 PolarHBondContact O-N 3.39Å; E282-R285 WeakPolarHBondContact O-CB 3.25Å; E282-R285 PolarHBondContact O-N 3.41Å; E282-R285 IonicContact OE1-NE 3.63Å; E282-R285 IonicContact OE2-CZ 2.77Å; E282-R285 VanDerWaalsContact OE2-CZ 3.22Å; E282-R285 IonicContact OE2-NE 2.66Å; E282-R285 PolarHBondContact OE2-NE 2.99Å; E282-R285 IonicContact OE2-NH2 3.92Å; E282-R285 PolarHBondContact OE2-NH2 3.28Å; C283-R285 PolarHBondContact O-N 3.19Å; R285-L287 VanDerWaalsContact C-N 3.33Å; R285-L287 PolarHBondContact O-N 3.4Å; R285-V288 PolarHBondContact O-N 2.63Å; R285-D289 IonicContact NH1-OD2 3.96Å; R285-D289 PolarHBondContact NH1-OD2 3.22Å; R285-D289 WeakPolarHBondContact O-CB 2.8Å; R285-D289 PolarHBondContact O-N 3.28Å
286	L	97.1	Very high	95.6	Very high	3 Å²	3	56 Å²	56	2%	0.016	28%	0.28	C	S	.	.	H	α-helix	trans	-61.6	-38.9	175.1	-61.6	174.7	0	0	0	112.6	L254 T255 F259 E282 C283 H284 A290 R307	L254-L286 HydrophobicContact CB-CD1 3.93Å; T255-L286 HydrophobicContact CG2-CD1 4.26Å; T255-L286 HydrophobicContact CG2-CD2 4.21Å; F259-L286 HydrophobicContact CD2-CB 4.09Å; F259-L286 HydrophobicContact CE2-CB 4.05Å; F259-L286 HydrophobicContact CE2-CD1 4.11Å; E282-L286 WeakPolarHBondContact O-CG 3.28Å; E282-L286 PolarHBondContact O-N 2.94Å; E282-L286 VanDerWaalsContact O-N 3.08Å; C283-L286 WeakPolarHBondContact O-CB 3.17Å; C283-L286 PolarHBondContact O-N 3.49Å; H284-L286 VanDerWaalsContact C-N 3.31Å; H284-L286 PolarHBondContact O-N 3.48Å; L286-A290 PolarHBondContact O-N 3.01Å; L286-R307 VanDerWaalsContact CD2-NH1 3.29Å
287	L	96.9	Very high	95.4	Very high	5 Å²	5	55.2 Å²	55.2	3%	0.026	28%	0.282	C	S	.	.	H	α-helix	trans	-68.9	-44.5	175.8	179.4	61.1	0	0	0	111.6	L267 V271 Q272 M277 M278 C283 H284 R285 A290 M291	L267-L287 HydrophobicContact CB-CD1 4.39Å; L267-L287 HydrophobicContact CD2-CD1 4.31Å; V271-L287 HydrophobicContact CB-CD1 4.37Å; V271-L287 HydrophobicContact CG1-CD1 3.96Å; Q272-L287 HydrophobicContact CB-CD2 3.86Å; Q272-L287 HydrophobicContact CG-CD2 4.02Å; M277-L287 HydrophobicContact CB-CD2 4.32Å; M277-L287 HydrophobicContact CE-CB 4.03Å; M278-L287 HydrophobicContact SD-CD2 4.09Å; C283-L287 PolarHBondContact O-N 3.01Å; H284-L287 WeakPolarHBondContact O-CB 3.31Å; H284-L287 PolarHBondContact O-N 2.71Å; H284-L287 VanDerWaalsContact O-N 3.15Å; R285-L287 VanDerWaalsContact C-N 3.33Å; R285-L287 PolarHBondContact O-N 3.4Å; L287-A290 PolarHBondContact O-N 2.79Å; L287-M291 HydrophobicContact CD1-CE 4.03Å; L287-M291 HydrophobicContact CD1-CG 4.45Å; L287-M291 WeakPolarHBondContact O-CG 3.5Å; L287-M291 PolarHBondContact O-N 3.07Å
288	V	96.3	Very high	95	Very high	57 Å²	57	60 Å²	60	35%	0.345	30%	0.301	S	S	.	.	H	α-helix	trans	-63.4	-42.6	177.8	171.9	0	0	0	0	111.5	H284 R285 A290 M291 N292	H284-V288 WeakPolarHBondContact O-CG2 3.33Å; H284-V288 PolarHBondContact O-N 3.26Å; R285-V288 PolarHBondContact O-N 2.63Å; V288-A290 VanDerWaalsContact C-N 3.28Å; V288-A290 PolarHBondContact O-N 2.76Å; V288-M291 PolarHBondContact O-N 3.39Å; V288-N292 WeakPolarHBondContact O-CB 3.36Å; V288-N292 VanDerWaalsContact O-CG 3.25Å; V288-N292 PolarHBondContact O-N 2.97Å; V288-N292 PolarHBondContact O-ND2 3.39Å
289	D	95.7	Very high	94.8	Very high	51 Å²	51	59.2 Å²	59.2	27%	0.273	30%	0.296	S	S	.	.	H	α-helix	trans	-53.9	-45.7	172.7	-75.4	-12	0	0	0	111.4	R285 Y293 R307	R285-D289 IonicContact NH1-OD2 3.96Å; R285-D289 PolarHBondContact NH1-OD2 3.22Å; R285-D289 WeakPolarHBondContact O-CB 2.8Å; R285-D289 PolarHBondContact O-N 3.28Å; D289-Y293 PolarHBondContact O-N 2.99Å; D289-R307 IonicContact OD2-CZ 3.26Å; D289-R307 VanDerWaalsContact OD2-CZ 3.31Å; D289-R307 IonicContact OD2-NH1 2.75Å; D289-R307 PolarHBondContact OD2-NH1 3.11Å; D289-R307 IonicContact OD2-NH2 2.72Å; D289-R307 PolarHBondContact OD2-NH2 3.21Å
290	A	96.4	Very high	94.8	Very high	3 Å²	3	52.3 Å²	52.3	3%	0.025	26%	0.264	C	S	.	.	H	α-helix	trans	-69	-45.4	-179.5	0	0	0	0	0	112	F259 L267 L286 L287 V288 N292 Y293 H294	F259-A290 HydrophobicContact CB-CB 3.56Å; L267-A290 HydrophobicContact CD1-CB 3.81Å; L267-A290 HydrophobicContact CD2-CB 4.41Å; L286-A290 PolarHBondContact O-N 3.01Å; L287-A290 PolarHBondContact O-N 2.79Å; V288-A290 VanDerWaalsContact C-N 3.28Å; V288-A290 PolarHBondContact O-N 2.76Å; A290-N292 VanDerWaalsContact C-N 3.33Å; A290-N292 PolarHBondContact O-N 3.36Å; A290-Y293 VanDerWaalsContact O-CB 3.31Å; A290-Y293 WeakPolarHBondContact O-CB 3.23Å; A290-Y293 PolarHBondContact O-N 2.83Å; A290-Y293 VanDerWaalsContact O-N 3.1Å; A290-H294 PolarHBondContact O-CD2 3.18Å; A290-H294 PolarHBondContact O-N 3.21Å
291	M	95.6	Very high	94.7	Very high	38 Å²	38	50.3 Å²	50.3	19%	0.187	25%	0.253	C	S	.	.	H	α-helix	trans	-58.6	-44.5	174.8	-68.8	-61.4	-170.9	0	0	111.5	L267 V268 L287 V288 Y293 H294 L295	L267-M291 HydrophobicContact CB-CE 3.6Å; L267-M291 HydrophobicContact CB-SD 4.22Å; L267-M291 HydrophobicContact CD1-CE 4.46Å; L267-M291 HydrophobicContact CD1-SD 4.07Å; V268-M291 HydrophobicContact CG2-CE 3.71Å; L287-M291 HydrophobicContact CD1-CE 4.03Å; L287-M291 HydrophobicContact CD1-CG 4.45Å; L287-M291 WeakPolarHBondContact O-CG 3.5Å; L287-M291 PolarHBondContact O-N 3.07Å; V288-M291 PolarHBondContact O-N 3.39Å; M291-Y293 VanDerWaalsContact C-N 3.3Å; M291-Y293 PolarHBondContact O-N 2.9Å; M291-H294 PolarHBondContact O-N 2.92Å; M291-H294 VanDerWaalsContact O-N 3.1Å; M291-L295 VanDerWaalsContact O-CG 3.32Å; M291-L295 WeakPolarHBondContact O-CG 3.08Å; M291-L295 PolarHBondContact O-N 3.47Å
292	N	95.1	Very high	94.4	Very high	70 Å²	70	50.8 Å²	50.8	37%	0.374	25%	0.249	S	C	.	.	H	α-helix	trans	-60.2	-39	174.7	-73.6	-25.8	0	0	0	112.1	V288 A290 H294 L295 L296	V288-N292 WeakPolarHBondContact O-CB 3.36Å; V288-N292 VanDerWaalsContact O-CG 3.25Å; V288-N292 PolarHBondContact O-N 2.97Å; V288-N292 PolarHBondContact O-ND2 3.39Å; A290-N292 VanDerWaalsContact C-N 3.33Å; A290-N292 PolarHBondContact O-N 3.36Å; N292-H294 VanDerWaalsContact C-N 3.27Å; N292-H294 PolarHBondContact O-N 3.47Å; N292-L295 PolarHBondContact O-N 3.13Å; N292-L296 HydrophobicContact CB-CD1 4.38Å; N292-L296 WeakPolarHBondContact O-CB 3.38Å; N292-L296 WeakPolarHBondContact O-CG 3.42Å; N292-L296 PolarHBondContact O-N 3.26Å
293	Y	94.8	Very high	94.2	Very high	5 Å²	5	49.6 Å²	49.6	2%	0.02	25%	0.245	C	C	.	.	H	α-helix	trans	-59.9	-34.5	174.7	-171.3	-96	0	0	0	112.8	D289 A290 M291 Q300 L303 Q304 T308 R394	D289-Y293 PolarHBondContact O-N 2.99Å; A290-Y293 VanDerWaalsContact O-CB 3.31Å; A290-Y293 WeakPolarHBondContact O-CB 3.23Å; A290-Y293 PolarHBondContact O-N 2.83Å; A290-Y293 VanDerWaalsContact O-N 3.1Å; M291-Y293 VanDerWaalsContact C-N 3.3Å; M291-Y293 PolarHBondContact O-N 2.9Å; Y293-Q300 HydrophobicContact CD1-CG 4.19Å; Y293-Q300 HydrophobicContact CD2-CB 4.42Å; Y293-Q300 HydrophobicContact CD2-CG 4.04Å; Y293-Q300 HydrophobicContact CE1-CB 4.42Å; Y293-Q300 HydrophobicContact CE1-CG 3.9Å; Y293-Q300 HydrophobicContact CE2-CB 3.72Å; Y293-Q300 HydrophobicContact CE2-CG 3.75Å; Y293-Q300 HydrophobicContact CG-CG 4.25Å; Y293-Q300 WeakPolarHBondContact O-CG 3.4Å; Y293-Q300 PolarHBondContact O-NE2 2.92Å; Y293-L303 HydrophobicContact CD2-CB 3.69Å; Y293-L303 HydrophobicContact CD2-CD1 4.1Å; Y293-L303 HydrophobicContact CE2-CB 3.96Å; Y293-Q304 PolarHBondContact OH-NE2 3.1Å; Y293-T308 HydrophobicContact CD2-CG2 3.79Å; Y293-T308 HydrophobicContact CE1-CG2 4.38Å; Y293-T308 HydrophobicContact CE2-CG2 3.48Å; Y293-T308 VanDerWaalsContact CE2-CG2 3.48Å; Y293-T308 HydrophobicContact CG-CG2 4.36Å; Y293-R394 PolarHBondContact OH-NH1 2.77Å; Y293-R394 PolarHBondContact OH-NH2 3.17Å
294	H	94.1	Very high	93.9	Very high	40 Å²	40	52 Å²	52	19%	0.185	26%	0.256	C	S	.	.	H	α-helix	trans	-79.6	-38.2	174.4	-64.7	-70.8	0	0	0	113.3	I262 A264 A290 M291 N292 L296 F395	I262-H294 PolarHBondContact O-CE1 3.5Å; I262-H294 PolarHBondContact O-NE2 3.29Å; A264-H294 HydrophobicContact CB-CB 4.22Å; A290-H294 PolarHBondContact O-CD2 3.18Å; A290-H294 PolarHBondContact O-N 3.21Å; M291-H294 PolarHBondContact O-N 2.92Å; M291-H294 VanDerWaalsContact O-N 3.1Å; N292-H294 VanDerWaalsContact C-N 3.27Å; N292-H294 PolarHBondContact O-N 3.47Å; H294-L296 VanDerWaalsContact C-N 3.27Å; H294-L296 PolarHBondContact O-N 2.95Å; H294-F395 AromaticContact CE1-CZ 3.6Å
295	L	94.1	Very high	93.7	Very high	130 Å²	130	50.9 Å²	50.9	68%	0.681	26%	0.256	S	S	*	.	H	α-helix	trans	-70.9	-20.6	-179.3	-68.7	170.5	0	0	0	113.3	M291 N292 P297	M291-L295 VanDerWaalsContact O-CG 3.32Å; M291-L295 WeakPolarHBondContact O-CG 3.08Å; M291-L295 PolarHBondContact O-N 3.47Å; N292-L295 PolarHBondContact O-N 3.13Å; L295-P297 WeakPolarHBondContact O-CD 3.04Å
296	L	92.8	Very high	93.4	Very high	65 Å²	65	49.7 Å²	49.7	34%	0.34	25%	0.252	S	S	.	.			trans	-117.3	61.5	-174.4	-57.7	170.1	0	0	0	112.2	N292 H294 Y298 Q299 Q300	N292-L296 HydrophobicContact CB-CD1 4.38Å; N292-L296 WeakPolarHBondContact O-CB 3.38Å; N292-L296 WeakPolarHBondContact O-CG 3.42Å; N292-L296 PolarHBondContact O-N 3.26Å; H294-L296 VanDerWaalsContact C-N 3.27Å; H294-L296 PolarHBondContact O-N 2.95Å; L296-Y298 VanDerWaalsContact C-N 3.27Å; L296-Y298 PolarHBondContact O-N 3.36Å; L296-Y298 VanDerWaalsContact O-N 3.12Å; L296-Q299 HydrophobicContact CB-CB 4.08Å; L296-Q299 HydrophobicContact CB-CG 4.47Å; L296-Q299 PolarHBondContact O-N 3.29Å; L296-Q300 PolarHBondContact O-N 3.22Å
297	P	89.4	Confident	93.2	Very high	36 Å²	36	52.8 Å²	52.8	23%	0.234	26%	0.263	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.2	-34.8	-170.2	22.2	-34.1	0	0	0	114.3	L295 Q300 R390 I399	L295-P297 WeakPolarHBondContact O-CD 3.04Å; P297-Q300 WeakPolarHBondContact O-CB 3.43Å; P297-Q300 PolarHBondContact O-N 2.9Å; P297-Q300 PolarHBondContact O-OE1 3.3Å; P297-R390 PolarHBondContact O-NH1 2.79Å; P297-R390 PolarHBondContact O-NH2 3Å; P297-R390 VanDerWaalsContact O-NH2 3.08Å; P297-I399 HydrophobicContact CB-CD1 4.37Å
298	Y	88.6	Confident	93	Very high	99 Å²	99	52.9 Å²	52.9	39%	0.388	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.6	-28.1	177.6	-49	-62.2	0	0	0	112.9	L296 I399 L401 P440 N443	L296-Y298 VanDerWaalsContact C-N 3.27Å; L296-Y298 PolarHBondContact O-N 3.36Å; L296-Y298 VanDerWaalsContact O-N 3.12Å; Y298-I399 HydrophobicContact CE1-CD1 4.42Å; Y298-L401 HydrophobicContact CD1-CD2 3.85Å; Y298-L401 HydrophobicContact CE1-CD2 3.78Å; Y298-P440 CarbonylContact O-C 3.51Å; Y298-N443 HydrophobicContact CD1-CB 3.74Å; Y298-N443 HydrophobicContact CE1-CB 4.26Å; Y298-N443 HydrophobicContact CG-CB 3.99Å
299	Q	90.1	Very high	92.8	Very high	75 Å²	75	56 Å²	56	35%	0.35	27%	0.273	S	S	.	.	G	3₁₀ helix	trans	-88.3	-6.3	178.2	-60.6	-174.7	-0.1	0	0	113.1	L296 N301 I302 L303	L296-Q299 HydrophobicContact CB-CB 4.08Å; L296-Q299 HydrophobicContact CB-CG 4.47Å; L296-Q299 PolarHBondContact O-N 3.29Å; Q299-N301 PolarHBondContact O-N 3Å; Q299-I302 HydrophobicContact CB-CD1 4.13Å; Q299-I302 HydrophobicContact CB-CG1 3.93Å; Q299-I302 HydrophobicContact CG-CD1 4.33Å; Q299-I302 WeakPolarHBondContact O-CG1 3.49Å; Q299-I302 PolarHBondContact O-N 2.99Å; Q299-L303 HydrophobicContact CB-CD1 4.33Å; Q299-L303 WeakPolarHBondContact O-CG 3.47Å; Q299-L303 PolarHBondContact O-N 2.88Å; Q299-L303 VanDerWaalsContact O-N 3.1Å
300	Q	94.1	Very high	92.6	Very high	9 Å²	9	55 Å²	55	4%	0.042	27%	0.269	C	S	.	.	G	3₁₀ helix	trans	-54.7	-27.9	179.6	-72.8	177.1	-29.2	0	0	114.2	Y293 L296 P297 L303 Q304 F365	Y293-Q300 HydrophobicContact CD1-CG 4.19Å; Y293-Q300 HydrophobicContact CD2-CB 4.42Å; Y293-Q300 HydrophobicContact CD2-CG 4.04Å; Y293-Q300 HydrophobicContact CE1-CB 4.42Å; Y293-Q300 HydrophobicContact CE1-CG 3.9Å; Y293-Q300 HydrophobicContact CE2-CB 3.72Å; Y293-Q300 HydrophobicContact CE2-CG 3.75Å; Y293-Q300 HydrophobicContact CG-CG 4.25Å; Y293-Q300 WeakPolarHBondContact O-CG 3.4Å; Y293-Q300 PolarHBondContact O-NE2 2.92Å; L296-Q300 PolarHBondContact O-N 3.22Å; P297-Q300 WeakPolarHBondContact O-CB 3.43Å; P297-Q300 PolarHBondContact O-N 2.9Å; P297-Q300 PolarHBondContact O-OE1 3.3Å; Q300-L303 PolarHBondContact O-N 3.48Å; Q300-Q304 WeakPolarHBondContact O-CG 3.36Å; Q300-Q304 PolarHBondContact O-NE2 3.35Å; Q300-F365 HydrophobicContact CB-CE2 4.07Å; Q300-F365 HydrophobicContact CB-CZ 3.67Å; Q300-F365 HydrophobicContact CG-CZ 4.44Å; Q300-F365 VanDerWaalsContact OE1-CZ 3.29Å
301	N	91.8	Very high	92.4	Very high	14 Å²	14	55.6 Å²	55.6	8%	0.075	27%	0.27	C	S	.	.	G	3₁₀ helix	trans	-67	-36.5	173.6	-69.9	86.1	0	0	0	113.2	Q299 Q304 D363 Y367 R390 P440	Q299-N301 PolarHBondContact O-N 3Å; N301-Q304 WeakPolarHBondContact O-CG 3.43Å; N301-D363 WeakPolarHBondContact CB-OD2 3.29Å; N301-D363 PolarHBondContact ND2-OD2 3.04Å; N301-Y367 PolarHBondContact ND2-OH 3.14Å; N301-Y367 VanDerWaalsContact ND2-OH 3.11Å; N301-Y367 PolarHBondContact OD1-OH 3.14Å; N301-R390 PolarHBondContact OD1-NH1 3.38Å; N301-P440 HydrophobicContact CB-CB 3.76Å; N301-P440 HydrophobicContact CB-CG 4.34Å
302	I	90.6	Very high	92	Very high	108 Å²	108	54.1 Å²	54.1	55%	0.554	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.4	-15.9	176	62.5	165.2	0	0	0	113.2	Q299 Q304	Q299-I302 HydrophobicContact CB-CD1 4.13Å; Q299-I302 HydrophobicContact CB-CG1 3.93Å; Q299-I302 HydrophobicContact CG-CD1 4.33Å; Q299-I302 WeakPolarHBondContact O-CG1 3.49Å; Q299-I302 PolarHBondContact O-N 2.99Å; I302-Q304 VanDerWaalsContact C-N 3.33Å
303	L	92.3	Very high	91.7	Very high	66 Å²	66	51.8 Å²	51.8	35%	0.346	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.4	14.8	178.5	-62.1	175	0	0	0	113.5	Y293 Q299 Q300	Y293-L303 HydrophobicContact CD2-CB 3.69Å; Y293-L303 HydrophobicContact CD2-CD1 4.1Å; Y293-L303 HydrophobicContact CE2-CB 3.96Å; Q299-L303 HydrophobicContact CB-CD1 4.33Å; Q299-L303 WeakPolarHBondContact O-CG 3.47Å; Q299-L303 PolarHBondContact O-N 2.88Å; Q299-L303 VanDerWaalsContact O-N 3.1Å; Q300-L303 PolarHBondContact O-N 3.48Å
304	Q	92.3	Very high	91.5	Very high	50 Å²	50	53 Å²	53	23%	0.234	26%	0.264	C	S	.	.			trans	-70.4	137	-177.1	-67.6	-63.6	-30.9	0	0	113.2	Y293 Q300 N301 I302 T308 D363	Y293-Q304 PolarHBondContact OH-NE2 3.1Å; Q300-Q304 WeakPolarHBondContact O-CG 3.36Å; Q300-Q304 PolarHBondContact O-NE2 3.35Å; N301-Q304 WeakPolarHBondContact O-CG 3.43Å; I302-Q304 VanDerWaalsContact C-N 3.33Å; Q304-T308 WeakPolarHBondContact CA-OG1 3.46Å; Q304-T308 PolarHBondContact OE1-OG1 2.85Å; Q304-D363 HydrophobicContact CG-CB 3.72Å
305	S	92.4	Very high	91.4	Very high	43 Å²	43	58 Å²	58	30%	0.301	29%	0.285	S	S	.	.	S	Bend	trans	-154.4	-174.9	174.5	66	0	0	0	0	110.1	R307 T308	S305-R307 PolarHBondContact O-N 2.71Å; S305-R307 PolarHBondContact OG-N 3.08Å; S305-T308 PolarHBondContact N-OG1 3.01Å; S305-T308 PolarHBondContact O-N 3.08Å; S305-T308 PolarHBondContact O-OG1 3.06Å
306	R	91.6	Very high	91.5	Very high	77 Å²	77	52 Å²	52	29%	0.291	25%	0.254	S	S	.	.	G	3₁₀ helix	trans	-57.4	-32.6	167.8	-174.6	177.2	173.1	-88.2	-13.8	111.8	L219 S220 D222 T308 K309	L219-R306 PolarHBondContact O-NH2 3.45Å; S220-R306 VanDerWaalsContact O-CZ 3.32Å; S220-R306 PolarHBondContact O-NH2 2.79Å; D222-R306 IonicContact OD1-CZ 3.22Å; D222-R306 VanDerWaalsContact OD1-CZ 3.3Å; D222-R306 IonicContact OD1-NE 3.24Å; D222-R306 PolarHBondContact OD1-NE 3.13Å; D222-R306 IonicContact OD1-NH2 2.71Å; D222-R306 PolarHBondContact OD1-NH2 3.46Å; R306-T308 VanDerWaalsContact C-N 3.25Å; R306-T308 PolarHBondContact O-N 2.89Å; R306-K309 PolarHBondContact O-N 2.93Å
307	R	92.5	Very high	91.6	Very high	68 Å²	68	49.2 Å²	49.2	26%	0.257	24%	0.24	S	C	.	.	G	3₁₀ helix	trans	-73.6	-5.3	-178	-60.8	-173.2	-65.2	151.5	-4	115	R258 L286 D289 S305	R258-R307 CarbonylContact C-O 3.59Å; R258-R307 WeakPolarHBondContact CA-O 3.12Å; R258-R307 WeakPolarHBondContact CB-O 3.36Å; L286-R307 VanDerWaalsContact CD2-NH1 3.29Å; D289-R307 IonicContact OD2-CZ 3.26Å; D289-R307 VanDerWaalsContact OD2-CZ 3.31Å; D289-R307 IonicContact OD2-NH1 2.75Å; D289-R307 PolarHBondContact OD2-NH1 3.11Å; D289-R307 IonicContact OD2-NH2 2.72Å; D289-R307 PolarHBondContact OD2-NH2 3.21Å; S305-R307 PolarHBondContact O-N 2.71Å; S305-R307 PolarHBondContact OG-N 3.08Å
308	T	92.8	Very high	92	Very high	7 Å²	7	47.5 Å²	47.5	4%	0.043	23%	0.229	C	C	.	.	G	3₁₀ helix	trans	-113.4	-4	179.3	57.4	0	0	0	0	113.4	T261 Y293 Q304 S305 R306 R394	T261-T308 VanDerWaalsContact CG2-C 3.46Å; T261-T308 VanDerWaalsContact CG2-O 3.3Å; T261-T308 WeakPolarHBondContact CG2-O 3.48Å; Y293-T308 HydrophobicContact CD2-CG2 3.79Å; Y293-T308 HydrophobicContact CE1-CG2 4.38Å; Y293-T308 HydrophobicContact CE2-CG2 3.48Å; Y293-T308 VanDerWaalsContact CE2-CG2 3.48Å; Y293-T308 HydrophobicContact CG-CG2 4.36Å; Q304-T308 WeakPolarHBondContact CA-OG1 3.46Å; Q304-T308 PolarHBondContact OE1-OG1 2.85Å; S305-T308 PolarHBondContact N-OG1 3.01Å; S305-T308 PolarHBondContact O-N 3.08Å; S305-T308 PolarHBondContact O-OG1 3.06Å; R306-T308 VanDerWaalsContact C-N 3.25Å; R306-T308 PolarHBondContact O-N 2.89Å; T308-R394 PolarHBondContact O-NH1 2.96Å
309	K	91.9	Very high	92.4	Very high	121 Å²	121	43 Å²	43	53%	0.526	21%	0.212	S	C	.	.	S	Bend	trans	-90.1	142.9	178.6	-67.6	179	-178.6	-178.9	0	111.1	R258 R306 R311	R258-K309 WeakPolarHBondContact CD-O 3.36Å; R258-K309 PolarHBondContact NH1-O 3.05Å; R306-K309 PolarHBondContact O-N 2.93Å; K309-R311 PolarHBondContact O-N 2.79Å
310	V	91.5	Very high	92.6	Very high	32 Å²	32	39.5 Å²	39.5	19%	0.194	20%	0.195	C	C	.	.	P	Polyproline II helix	trans	-59.7	131.6	173.2	-178.5	0	0	0	0	110.4	R258 R394 T612 P614	R258-V310 VanDerWaalsContact NH1-C 3.35Å; R258-V310 PolarHBondContact NH1-O 3.33Å; R258-V310 VanDerWaalsContact NH1-O 3.16Å; V310-R394 HydrophobicContact CG2-CG 3.59Å; V310-T612 HydrophobicContact CB-CG2 4.3Å; V310-P614 HydrophobicContact CG1-CB 4.39Å; V310-P614 HydrophobicContact CG1-CG 4.41Å; V310-P614 HydrophobicContact CG2-CG 4.37Å
311	R	91.8	Very high	92.6	Very high	14 Å²	14	39.3 Å²	39.3	5%	0.053	20%	0.196	C	C	.	.	S	Bend	trans	-85.5	139.2	168.7	-165.3	-165.7	-53.7	-114.9	-1.9	109.5	L219 L224 E229 L256 K309 G313	L219-R311 VanDerWaalsContact C-NH1 3.35Å; L219-R311 PolarHBondContact O-NH1 2.76Å; L224-R311 WeakPolarHBondContact O-CD 3.36Å; L224-R311 WeakPolarHBondContact O-CG 3.4Å; E229-R311 VanDerWaalsContact CD-NH2 3.33Å; E229-R311 WeakPolarHBondContact OE1-CB 3.42Å; E229-R311 IonicContact OE1-CZ 2.76Å; E229-R311 VanDerWaalsContact OE1-CZ 3.25Å; E229-R311 IonicContact OE1-NE 2.96Å; E229-R311 PolarHBondContact OE1-NE 2.79Å; E229-R311 IonicContact OE1-NH2 3.3Å; E229-R311 PolarHBondContact OE1-NH2 2.84Å; E229-R311 IonicContact OE2-CZ 3.87Å; E229-R311 IonicContact OE2-NE 2.74Å; E229-R311 IonicContact OE2-NH2 3.79Å; E229-R311 PolarHBondContact OE2-NH2 3.23Å; L256-R311 PolarHBondContact O-NH2 3.42Å; K309-R311 PolarHBondContact O-N 2.79Å; R311-G313 PolarHBondContact O-N 3.25Å
312	G	87.9	Confident	92.6	Very high	7 Å²	7	38.7 Å²	38.7	7%	0.072	19%	0.192	C	C	.	.	S	Bend	trans	65.3	3.8	178.4	0	0	0	0	0	115.6	D222 Q225 T615	D222-G312 PolarHBondContact O-N 2.96Å; Q225-G312 PolarHBondContact NE2-O 2.92Å; Q225-G312 VanDerWaalsContact NE2-O 3.07Å; G312-T615 WeakPolarHBondContact O-CG2 3.32Å
313	G	88.8	Confident	92.6	Very high	22 Å²	22	35 Å²	35	23%	0.227	17%	0.172	C	C	.	.			trans	-67.4	144.4	-169.4	0	0	0	0	0	114.8	R311 I613	R311-G313 PolarHBondContact O-N 3.25Å; G313-I613 CarbonylContact C-O 3.6Å; G313-I613 WeakPolarHBondContact CA-O 3.47Å
314	L	89.8	Confident	92.5	Very high	31 Å²	31	32.5 Å²	32.5	16%	0.162	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	126.7	-179	-59.7	175.8	0	0	0	110.8	V316 E340 T612 I613 T615	L314-V316 HydrophobicContact CB-CG1 3.99Å; L314-V316 PolarHBondContact O-N 3.48Å; L314-E340 HydrophobicContact CD2-CG 4.39Å; L314-E340 WeakPolarHBondContact CD2-OE1 3.49Å; L314-T612 CarbonylContact O-C 3.56Å; L314-T612 VanDerWaalsContact O-CA 3.31Å; L314-T612 WeakPolarHBondContact O-CA 3.42Å; L314-I613 HydrophobicContact CB-CG1 4.18Å; L314-I613 PolarHBondContact N-O 3.33Å; L314-I613 PolarHBondContact O-N 3.24Å; L314-T615 HydrophobicContact CD1-CG2 4.17Å; L314-T615 HydrophobicContact CD2-CG2 3.99Å; L314-T615 HydrophobicContact CG-CG2 3.66Å
315	K	92.9	Very high	92.3	Very high	143 Å²	143	31.8 Å²	31.8	62%	0.622	16%	0.162	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-80.7	112.7	167.1	-72.6	179.8	-178.8	176.3	0	109.1	L562 V610 V611	K315-L562 HydrophobicContact CB-CD1 4.21Å; K315-V610 HydrophobicContact CB-CG1 4.38Å; K315-V611 WeakPolarHBondContact CA-O 3.44Å
316	V	95.1	Very high	91.9	Very high	5 Å²	5	37 Å²	37	3%	0.03	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	147.4	-173.9	-64	0	0	0	0	111	L314 L318 Y337 R338 V610 V611 I613	L314-V316 HydrophobicContact CB-CG1 3.99Å; L314-V316 PolarHBondContact O-N 3.48Å; V316-L318 HydrophobicContact CG2-CD2 3.97Å; V316-Y337 HydrophobicContact CB-CD2 4.31Å; V316-Y337 HydrophobicContact CG1-CD2 4.07Å; V316-Y337 HydrophobicContact CG2-CD2 4.39Å; V316-R338 WeakPolarHBondContact CB-O 3.47Å; V316-R338 WeakPolarHBondContact CG1-O 3.47Å; V316-V610 VanDerWaalsContact O-CA 3.31Å; V316-V610 WeakPolarHBondContact O-CA 3.29Å; V316-V611 HydrophobicContact CG2-CG1 4.4Å; V316-V611 PolarHBondContact N-O 3Å; V316-V611 PolarHBondContact O-N 3.15Å; V316-V611 VanDerWaalsContact O-N 3.17Å; V316-I613 HydrophobicContact CG1-CD1 4.06Å; V316-I613 HydrophobicContact CG1-CG1 4.18Å; V316-I613 HydrophobicContact CG2-CD1 3.94Å; V316-I613 HydrophobicContact CG2-CG1 3.93Å; V316-I613 HydrophobicContact CG2-CG2 3.9Å
317	I	96.8	Very high	91.3	Very high	7 Å²	7	36.3 Å²	36.3	4%	0.036	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	128	167.1	-64	168.6	0	0	0	107.6	Y337 R338 W344 L562 Y567 L569 V610	I317-Y337 WeakPolarHBondContact O-CA 3.3Å; I317-R338 PolarHBondContact O-N 3.33Å; I317-W344 HydrophobicContact CG2-CH2 4.19Å; I317-L562 HydrophobicContact CD1-CB 4.34Å; I317-L562 HydrophobicContact CD1-CD2 4.09Å; I317-L562 HydrophobicContact CG1-CB 4.26Å; I317-L562 HydrophobicContact CG1-CD2 4Å; I317-Y567 HydrophobicContact CD1-CD1 3.59Å; I317-Y567 HydrophobicContact CD1-CD2 3.94Å; I317-Y567 HydrophobicContact CD1-CE1 3.89Å; I317-Y567 HydrophobicContact CD1-CE2 4.23Å; I317-Y567 HydrophobicContact CD1-CG 3.63Å; I317-L569 HydrophobicContact CG2-CD2 4.21Å; I317-V610 HydrophobicContact CB-CG2 4.47Å; I317-V610 HydrophobicContact CG1-CG2 3.78Å
318	L	97	Very high	90.3	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101	142.8	169.4	-60.9	-170.4	0	0	0	111.2	V316 V335 L336 L347 L366 C608 C609 V611	V316-L318 HydrophobicContact CG2-CD2 3.97Å; L318-V335 HydrophobicContact CD1-CG1 4.13Å; L318-L336 CarbonylContact C-O 3.6Å; L318-L336 VanDerWaalsContact CA-O 3.26Å; L318-L336 WeakPolarHBondContact CA-O 3.38Å; L318-L347 HydrophobicContact CD1-CD2 4.26Å; L318-L347 HydrophobicContact CD2-CD2 3.88Å; L318-L366 HydrophobicContact CD1-CD2 3.92Å; L318-C608 VanDerWaalsContact O-CA 3.26Å; L318-C608 WeakPolarHBondContact O-CA 3.45Å; L318-C609 PolarHBondContact N-O 3.36Å; L318-C609 PolarHBondContact O-N 3.18Å; L318-V611 HydrophobicContact CD1-CB 4.24Å; L318-V611 HydrophobicContact CD1-CG1 3.57Å; L318-V611 HydrophobicContact CD2-CG1 4.33Å; L318-V611 HydrophobicContact CG-CG1 3.92Å
319	T	96.2	Very high	89.5	Confident	5 Å²	5	47 Å²	47	3%	0.031	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	144.3	158.1	51	0	0	0	0	109.5	V335 L336 W344 L569 L599 I606 S607	T319-V335 WeakPolarHBondContact O-CA 3.25Å; T319-L336 PolarHBondContact N-O 2.69Å; T319-L336 PolarHBondContact O-N 2.87Å; T319-L336 WeakPolarHBondContact OG1-CB 3.45Å; T319-W344 HydrophobicContact CG2-CH2 3.48Å; T319-W344 VanDerWaalsContact CG2-CH2 3.48Å; T319-W344 HydrophobicContact CG2-CZ2 4.34Å; T319-W344 HydrophobicContact CG2-CZ3 3.67Å; T319-W344 WeakPolarHBondContact OG1-CZ3 3.36Å; T319-L569 HydrophobicContact CG2-CD2 4.02Å; T319-L599 HydrophobicContact CG2-CD2 3.96Å; T319-I606 HydrophobicContact CG2-CD1 3.64Å; T319-I606 HydrophobicContact CG2-CG1 4.28Å; T319-S607 WeakPolarHBondContact CA-O 3.46Å
320	V	95.8	Very high	88.9	Confident	0 Å²	0	44.1 Å²	44.1	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	117.9	-173.2	175.4	0	0	0	0	109.3	V335 M350 Q357 V359 L366 I368 S607	V320-V335 HydrophobicContact CG1-CG2 4.47Å; V320-V335 HydrophobicContact CG2-CG1 4.21Å; V320-V335 HydrophobicContact CG2-CG2 4.34Å; V320-M350 HydrophobicContact CG1-CG 4.39Å; V320-M350 HydrophobicContact CG1-SD 3.53Å; V320-M350 VanDerWaalsContact CG1-SD 3.53Å; V320-Q357 PolarHBondContact O-NE2 3.1Å; V320-V359 HydrophobicContact CB-CG1 4.04Å; V320-V359 HydrophobicContact CG1-CG1 3.9Å; V320-V359 HydrophobicContact CG2-CG1 4.12Å; V320-L366 HydrophobicContact CG2-CD2 4.19Å; V320-I368 HydrophobicContact CG1-CD1 3.53Å; V320-I368 HydrophobicContact CG1-CG1 4.4Å; V320-S607 PolarHBondContact N-O 3.08Å; V320-S607 PolarHBondContact O-N 3.15Å
321	G	92.6	Very high	88.8	Confident	6 Å²	6	43.2 Å²	43.2	6%	0.062	23%	0.229	C	C	.	.			trans	58.5	-137.3	171.6	0	0	0	0	0	113.8	D334	G321-D334 PolarHBondContact N-O 3.33Å
322	G	91.6	Very high	88.7	Confident	0 Å²	0	43.7 Å²	43.7	0%	0	23%	0.234	C	C	.	.			trans	90.8	-173.9	-178	0	0	0	0	0	113	S332 S354 G605	G322-S332 WeakPolarHBondContact O-CB 3.34Å; G322-S332 PolarHBondContact O-N 2.96Å; G322-S354 PolarHBondContact N-O 3.12Å; G322-G605 WeakPolarHBondContact CA-O 3.3Å
323	R	91.4	Very high	88.9	Confident	32 Å²	32	46 Å²	46	12%	0.121	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	102	-172.6	-161.9	167.2	64.1	71.5	12.9	110.4	E328 L331 F355 N375 Y579 V604	R323-E328 WeakPolarHBondContact CD-O 3.45Å; R323-E328 PolarHBondContact NH1-O 2.88Å; R323-E328 VanDerWaalsContact NH1-O 3.15Å; R323-L331 HydrophobicContact CB-CD2 4.43Å; R323-L331 HydrophobicContact CG-CD2 4.09Å; R323-F355 HydrophobicContact CB-CB 4.38Å; R323-F355 HydrophobicContact CB-CD2 4.25Å; R323-F355 HydrophobicContact CB-CG 4.4Å; R323-N375 WeakPolarHBondContact CD-ND2 3.48Å; R323-N375 PolarHBondContact NH1-ND2 3.33Å; R323-Y579 PolarHBondContact NH1-OH 2.86Å; R323-Y579 PolarHBondContact NH2-OH 3.15Å; R323-Y579 WeakPolarHBondContact O-CE2 3.41Å; R323-V604 HydrophobicContact CB-CG2 4.07Å; R323-V604 PolarHBondContact N-O 2.81Å; R323-V604 PolarHBondContact O-N 2.91Å; R323-V604 VanDerWaalsContact O-N 3.14Å
324	P	90.9	Very high	89.1	Confident	12 Å²	12	47.4 Å²	47.4	8%	0.078	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	156.5	-175.6	-15.9	32.3	0	0	0	113.5	T327 E328 E601 A602 T603	P324-T327 CarbonylContact O-C 3.56Å; P324-T327 PolarHBondContact O-N 2.96Å; P324-E328 WeakPolarHBondContact O-CA 3.42Å; P324-E328 PolarHBondContact O-N 2.91Å; P324-E328 VanDerWaalsContact O-N 3.08Å; P324-E601 HydrophobicContact CB-CB 4.38Å; P324-E601 HydrophobicContact CB-CG 3.99Å; P324-E601 WeakPolarHBondContact CB-OE1 3.26Å; P324-E601 WeakPolarHBondContact CB-OE2 3.49Å; P324-A602 CarbonylContact C-O 3.55Å; P324-A602 WeakPolarHBondContact CA-O 3.41Å; P324-T603 HydrophobicContact CG-CG2 4.42Å
325	A	87.8	Confident	89.4	Confident	36 Å²	36	45.9 Å²	45.9	30%	0.298	24%	0.236	S	C	.	.	S	Bend	trans	-77	-31.9	-170.5	0	0	0	0	0	115.3	E328 Y579 E601 A602	A325-E328 VanDerWaalsContact O-CG 3.29Å; A325-E328 WeakPolarHBondContact O-CG 3.33Å; A325-Y579 HydrophobicContact CB-CD2 3.65Å; A325-Y579 HydrophobicContact CB-CE2 4.23Å; A325-Y579 HydrophobicContact CB-CG 4Å; A325-E601 PolarHBondContact N-OE1 3.15Å; A325-A602 HydrophobicContact CB-CB 3.96Å; A325-A602 WeakPolarHBondContact CB-O 3.15Å; A325-A602 PolarHBondContact N-O 2.8Å
326	L	82.5	Confident	89.6	Confident	151 Å²	151	40.9 Å²	40.9	79%	0.791	22%	0.216	S	C	*	.	T	Hydrogen-bonded Turn	trans	-75.6	-19.8	174	-55.9	172.6	0	0	0	111	E601	L326-E601 WeakPolarHBondContact CA-OE1 3.4Å; L326-E601 WeakPolarHBondContact CB-OE1 3.47Å; L326-E601 HydrophobicContact CD1-CG 4.17Å; L326-E601 HydrophobicContact CG-CG 4.21Å; L326-E601 WeakPolarHBondContact CG-OE1 3.2Å; L326-E601 PolarHBondContact N-OE1 3.03Å
327	T	78.8	Confident	89.6	Confident	64 Å²	64	42.9 Å²	42.9	39%	0.393	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-126.7	34.9	-172.7	60.1	0	0	0	0	112.8	P324 K329 S330	P324-T327 CarbonylContact O-C 3.56Å; P324-T327 PolarHBondContact O-N 2.96Å; T327-K329 PolarHBondContact O-N 3.42Å; T327-S330 WeakPolarHBondContact O-CA 3.44Å; T327-S330 WeakPolarHBondContact O-CB 3.35Å; T327-S330 PolarHBondContact O-N 3.23Å; T327-S330 VanDerWaalsContact O-O 3.1Å
328	E	71.8	Confident	89.5	Confident	95 Å²	95	43.4 Å²	43.4	44%	0.444	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-50.7	-22.7	-169.7	-57.1	-166.1	124.3	0	0	117.3	R323 P324 A325 N375 Y579	R323-E328 WeakPolarHBondContact CD-O 3.45Å; R323-E328 PolarHBondContact NH1-O 2.88Å; R323-E328 VanDerWaalsContact NH1-O 3.15Å; P324-E328 WeakPolarHBondContact O-CA 3.42Å; P324-E328 PolarHBondContact O-N 2.91Å; P324-E328 VanDerWaalsContact O-N 3.08Å; A325-E328 VanDerWaalsContact O-CG 3.29Å; A325-E328 WeakPolarHBondContact O-CG 3.33Å; E328-N375 PolarHBondContact O-ND2 2.8Å; E328-Y579 VanDerWaalsContact CD-OH 3.23Å; E328-Y579 HydrophobicContact CG-CE2 4.36Å; E328-Y579 WeakPolarHBondContact OE1-CE1 3.5Å; E328-Y579 PolarHBondContact OE1-OH 2.65Å
329	K	76.9	Confident	89.2	Confident	204 Å²	204	45 Å²	45	89%	0.887	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	-83.6	-15.6	177	-63.6	-176.7	179.8	178.4	0	113.7	T327	T327-K329 PolarHBondContact O-N 3.42Å
330	S	80.1	Confident	88.8	Confident	61 Å²	61	50.7 Å²	50.7	43%	0.427	26%	0.26	S	S	.	.	S	Bend	trans	-111.1	133.6	-177.6	-69.4	0	0	0	0	110.1	T327	T327-S330 WeakPolarHBondContact O-CA 3.44Å; T327-S330 WeakPolarHBondContact O-CB 3.35Å; T327-S330 PolarHBondContact O-N 3.23Å; T327-S330 VanDerWaalsContact O-O 3.1Å
331	L	88.1	Confident	88.5	Confident	13 Å²	13	56.1 Å²	56.1	7%	0.068	29%	0.289	C	S	.	.			trans	-86.4	139	170.6	-54.1	-175.1	0	0	0	110	R323 K353 F355 E372 D373 N375	R323-L331 HydrophobicContact CB-CD2 4.43Å; R323-L331 HydrophobicContact CG-CD2 4.09Å; L331-K353 HydrophobicContact CB-CB 4.05Å; L331-K353 HydrophobicContact CB-CD 4.45Å; L331-K353 HydrophobicContact CB-CG 4.36Å; L331-K353 HydrophobicContact CD1-CB 4.49Å; L331-K353 WeakPolarHBondContact O-CD 3.29Å; L331-K353 WeakPolarHBondContact O-CE 3.49Å; L331-F355 HydrophobicContact CD1-CD1 3.81Å; L331-F355 HydrophobicContact CD1-CE1 4.41Å; L331-F355 HydrophobicContact CD2-CB 4.14Å; L331-F355 HydrophobicContact CD2-CD1 3.34Å; L331-F355 HydrophobicContact CD2-CE1 3.9Å; L331-F355 HydrophobicContact CD2-CG 3.88Å; L331-F355 HydrophobicContact CG-CD1 4.21Å; L331-E372 VanDerWaalsContact CD1-O 3.31Å; L331-E372 WeakPolarHBondContact CD1-O 3.41Å; L331-D373 VanDerWaalsContact CD1-C 3.48Å; L331-D373 VanDerWaalsContact CD1-O 3.27Å; L331-D373 WeakPolarHBondContact CD1-O 3.34Å; L331-N375 HydrophobicContact CD2-CB 4.44Å
332	S	89.9	Confident	88.4	Confident	23 Å²	23	60.7 Å²	60.7	16%	0.161	31%	0.307	C	S	.	.			trans	-74.1	144.1	174.8	-175.1	0	0	0	0	111.3	G322 D334 M350	G322-S332 WeakPolarHBondContact O-CB 3.34Å; G322-S332 PolarHBondContact O-N 2.96Å; S332-D334 PolarHBondContact OG-N 3.25Å; S332-M350 WeakPolarHBondContact O-CE 3.18Å
333	K	92.1	Very high	88.5	Confident	55 Å²	55	64.5 Å²	64.5	24%	0.239	33%	0.33	C	S	.	.			trans	-99.7	-10.7	164.3	-72.9	-171.4	150.9	-144.5	0	112.4	E349 M350 P351 K353	K333-E349 HydrophobicContact CB-CB 4.19Å; K333-E349 HydrophobicContact CB-CG 4.36Å; K333-E349 CarbonylContact O-C 3.14Å; K333-E349 WeakPolarHBondContact O-CA 3.34Å; K333-M350 WeakPolarHBondContact CD-O 3.46Å; K333-M350 WeakPolarHBondContact CE-O 3.46Å; K333-M350 PolarHBondContact NZ-O 3.32Å; K333-M350 VanDerWaalsContact NZ-O 3.15Å; K333-M350 WeakPolarHBondContact O-CG 3.38Å; K333-M350 PolarHBondContact O-N 3.26Å; K333-P351 PolarHBondContact NZ-O 3.17Å; K333-K353 HydrophobicContact CD-CG 4.12Å; K333-K353 HydrophobicContact CG-CB 4.46Å; K333-K353 HydrophobicContact CG-CD 4.47Å; K333-K353 HydrophobicContact CG-CG 3.44Å; K333-K353 VanDerWaalsContact CG-CG 3.44Å
334	D	93.9	Very high	88.6	Confident	52 Å²	52	64.7 Å²	64.7	28%	0.278	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.1	138	-163.6	-67	-26.9	0	0	0	111.4	G321 S332 L336 K346	G321-D334 PolarHBondContact N-O 3.33Å; S332-D334 PolarHBondContact OG-N 3.25Å; D334-L336 HydrophobicContact CB-CD2 3.87Å; D334-L336 HydrophobicContact CB-CG 4.28Å; D334-K346 WeakPolarHBondContact OD1-CE 3.16Å; D334-K346 IonicContact OD1-NZ 2.65Å; D334-K346 PolarHBondContact OD1-NZ 3.05Å
335	V	95.8	Very high	88.8	Confident	0 Å²	0	66.6 Å²	66.6	0%	0	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	111.6	162.1	180	0	0	0	0	106.1	L318 T319 V320 L347 T348 M350 W398	L318-V335 HydrophobicContact CD1-CG1 4.13Å; T319-V335 WeakPolarHBondContact O-CA 3.25Å; V320-V335 HydrophobicContact CG1-CG2 4.47Å; V320-V335 HydrophobicContact CG2-CG1 4.21Å; V320-V335 HydrophobicContact CG2-CG2 4.34Å; V335-L347 HydrophobicContact CG1-CB 4.32Å; V335-L347 HydrophobicContact CG1-CD2 4.22Å; V335-L347 WeakPolarHBondContact O-CB 3.18Å; V335-L347 PolarHBondContact O-N 2.87Å; V335-T348 HydrophobicContact CB-CG2 3.73Å; V335-T348 HydrophobicContact CG1-CG2 4.26Å; V335-T348 HydrophobicContact CG2-CG2 3.92Å; V335-T348 PolarHBondContact N-O 2.88Å; V335-T348 PolarHBondContact O-N 2.93Å; V335-M350 HydrophobicContact CG2-CG 3.97Å; V335-W398 HydrophobicContact CG2-CH2 4.32Å; V335-W398 HydrophobicContact CG2-CZ2 4.09Å
336	L	96	Very high	89.1	Confident	37 Å²	37	70 Å²	70	19%	0.194	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	148.8	178.3	-45.9	177.9	0	0	0	109.5	L318 T319 D334 W344 N345 K346 P600	L318-L336 CarbonylContact C-O 3.6Å; L318-L336 VanDerWaalsContact CA-O 3.26Å; L318-L336 WeakPolarHBondContact CA-O 3.38Å; T319-L336 PolarHBondContact N-O 2.69Å; T319-L336 PolarHBondContact O-N 2.87Å; T319-L336 WeakPolarHBondContact OG1-CB 3.45Å; D334-L336 HydrophobicContact CB-CD2 3.87Å; D334-L336 HydrophobicContact CB-CG 4.28Å; L336-W344 HydrophobicContact CB-CE3 3.89Å; L336-W344 HydrophobicContact CB-CZ3 4.4Å; L336-N345 CarbonylContact C-O 3.58Å; L336-N345 VanDerWaalsContact CA-O 3.22Å; L336-N345 WeakPolarHBondContact CA-O 3.38Å; L336-K346 HydrophobicContact CD2-CB 3.89Å; L336-K346 HydrophobicContact CD2-CG 4.2Å; L336-P600 HydrophobicContact CD1-CG 4.46Å
337	Y	96	Very high	89.7	Confident	48 Å²	48	63.8 Å²	63.8	19%	0.188	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	146.5	171.6	75.5	-81.7	0	0	0	110.6	V316 I317 D339 W344 N345 L347 I613	V316-Y337 HydrophobicContact CB-CD2 4.31Å; V316-Y337 HydrophobicContact CG1-CD2 4.07Å; V316-Y337 HydrophobicContact CG2-CD2 4.39Å; I317-Y337 WeakPolarHBondContact O-CA 3.3Å; Y337-D339 HydrophobicContact CD2-CB 4.48Å; Y337-D339 HydrophobicContact CE2-CB 4.08Å; Y337-W344 WeakPolarHBondContact O-CA 3.49Å; Y337-N345 HydrophobicContact CD1-CB 3.77Å; Y337-N345 VanDerWaalsContact CD1-O 3.3Å; Y337-N345 WeakPolarHBondContact CD1-O 3.39Å; Y337-N345 HydrophobicContact CE1-CB 3.3Å; Y337-N345 HydrophobicContact CE2-CB 4.17Å; Y337-N345 HydrophobicContact CG-CB 4.41Å; Y337-N345 PolarHBondContact N-O 3Å; Y337-N345 PolarHBondContact O-N 3.01Å; Y337-L347 HydrophobicContact CD1-CB 3.89Å; Y337-L347 HydrophobicContact CD1-CD1 4.29Å; Y337-L347 HydrophobicContact CE1-CD1 4.47Å; Y337-I613 HydrophobicContact CD2-CD1 3.77Å; Y337-I613 HydrophobicContact CE2-CD1 3.76Å; Y337-I613 HydrophobicContact CG-CD1 4.23Å
338	R	94.5	Very high	90.6	Very high	17 Å²	17	61.7 Å²	61.7	6%	0.064	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	125.1	170.2	-163.4	175.2	179.8	-151.4	2.9	109.3	V316 I317 K342 V343 W344 D596 D597	V316-R338 WeakPolarHBondContact CB-O 3.47Å; V316-R338 WeakPolarHBondContact CG1-O 3.47Å; I317-R338 PolarHBondContact O-N 3.33Å; R338-K342 WeakPolarHBondContact CG-O 3.36Å; R338-K342 PolarHBondContact NE-O 3.22Å; R338-K342 VanDerWaalsContact NE-O 3.12Å; R338-V343 WeakPolarHBondContact CA-O 3.19Å; R338-W344 HydrophobicContact CB-CD2 4.09Å; R338-W344 HydrophobicContact CB-CE3 4.02Å; R338-W344 HydrophobicContact CB-CH2 3.97Å; R338-W344 HydrophobicContact CB-CZ2 4.04Å; R338-W344 HydrophobicContact CB-CZ3 3.96Å; R338-W344 HydrophobicContact CG-CD2 4.37Å; R338-W344 HydrophobicContact CG-CZ2 4.36Å; R338-D596 IonicContact CZ-OD1 3.25Å; R338-D596 IonicContact CZ-OD2 2.77Å; R338-D596 IonicContact NH1-OD1 2.66Å; R338-D596 IonicContact NH1-OD2 2.67Å; R338-D596 PolarHBondContact NH1-OD2 3.35Å; R338-D596 IonicContact NH2-OD1 2.69Å; R338-D596 PolarHBondContact NH2-OD1 2.8Å; R338-D596 IonicContact NH2-OD2 2.68Å; R338-D596 PolarHBondContact NH2-OD2 3.46Å; R338-D597 IonicContact CZ-OD2 3.63Å; R338-D597 IonicContact NH2-OD2 2.98Å; R338-D597 PolarHBondContact NH2-OD2 3.38Å
339	D	91.1	Very high	91.7	Very high	34 Å²	34	61.7 Å²	61.7	18%	0.182	30%	0.303	C	S	.	.			trans	-85.3	-177.6	179.5	65.4	25	0	0	0	113	Y337 D341 K342 V343 N345	Y337-D339 HydrophobicContact CD2-CB 4.48Å; Y337-D339 HydrophobicContact CE2-CB 4.08Å; D339-D341 VanDerWaalsContact C-N 3.28Å; D339-D341 PolarHBondContact O-N 2.8Å; D339-D341 VanDerWaalsContact OD1-C 3.27Å; D339-D341 WeakPolarHBondContact OD1-CA 3.35Å; D339-D341 PolarHBondContact OD1-N 2.82Å; D339-D341 VanDerWaalsContact OD1-N 3.07Å; D339-K342 WeakPolarHBondContact O-CA 3.13Å; D339-K342 PolarHBondContact O-N 3.07Å; D339-K342 VanDerWaalsContact O-N 3.09Å; D339-K342 PolarHBondContact OD1-N 2.84Å; D339-V343 PolarHBondContact N-O 2.9Å; D339-V343 PolarHBondContact OD1-N 3.05Å; D339-N345 PolarHBondContact OD2-ND2 2.81Å
340	E	87.1	Confident	92.5	Very high	124 Å²	124	52.3 Å²	52.3	58%	0.579	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65	-32.5	179.5	-59.5	173.2	127.8	0	0	112.5	L314 K342 K617	L314-E340 HydrophobicContact CD2-CG 4.39Å; L314-E340 WeakPolarHBondContact CD2-OE1 3.49Å; E340-K342 PolarHBondContact O-N 3.29Å; E340-K617 IonicContact OE2-NZ 2.87Å; E340-K617 PolarHBondContact OE2-NZ 3.21Å
341	D	89.4	Confident	93	Very high	115 Å²	115	51.6 Å²	51.6	62%	0.615	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.6	8.9	175.9	-57.5	-69.3	0	0	0	111.5	D339 V343 K617	D339-D341 VanDerWaalsContact C-N 3.28Å; D339-D341 PolarHBondContact O-N 2.8Å; D339-D341 VanDerWaalsContact OD1-C 3.27Å; D339-D341 WeakPolarHBondContact OD1-CA 3.35Å; D339-D341 PolarHBondContact OD1-N 2.82Å; D339-D341 VanDerWaalsContact OD1-N 3.07Å; D341-V343 PolarHBondContact O-N 3.04Å; D341-K617 IonicContact OD2-NZ 3.89Å
342	K	90.4	Very high	92.9	Very high	102 Å²	102	52.9 Å²	52.9	44%	0.443	27%	0.269	S	S	.	.			trans	65.8	11.4	178.5	-58.5	-175	170.5	-160.2	0	115.4	R338 D339 E340 D596 D597	R338-K342 WeakPolarHBondContact CG-O 3.36Å; R338-K342 PolarHBondContact NE-O 3.22Å; R338-K342 VanDerWaalsContact NE-O 3.12Å; D339-K342 WeakPolarHBondContact O-CA 3.13Å; D339-K342 PolarHBondContact O-N 3.07Å; D339-K342 VanDerWaalsContact O-N 3.09Å; D339-K342 PolarHBondContact OD1-N 2.84Å; E340-K342 PolarHBondContact O-N 3.29Å; K342-D596 IonicContact NZ-OD1 3.26Å; K342-D596 PolarHBondContact NZ-OD1 2.98Å; K342-D597 VanDerWaalsContact CB-OD2 3.26Å; K342-D597 WeakPolarHBondContact CB-OD2 3.45Å; K342-D597 WeakPolarHBondContact CD-OD2 3.45Å; K342-D597 IonicContact NZ-OD2 3.79Å
343	V	93.1	Very high	92.5	Very high	79 Å²	79	56.9 Å²	56.9	48%	0.479	28%	0.283	S	S	.	.			trans	-82.9	139.8	-179.1	-178	0	0	0	0	110.9	R338 D339 D341 N345	R338-V343 WeakPolarHBondContact CA-O 3.19Å; D339-V343 PolarHBondContact N-O 2.9Å; D339-V343 PolarHBondContact OD1-N 3.05Å; D341-V343 PolarHBondContact O-N 3.04Å; V343-N345 PolarHBondContact O-ND2 3.29Å; V343-N345 VanDerWaalsContact O-ND2 3.12Å
344	W	94.9	Very high	92	Very high	36 Å²	36	54.8 Å²	54.8	14%	0.136	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	119.1	174.9	-73.9	99.9	0	0	0	111.5	I317 T319 L336 Y337 R338 L569 I583 E598 L599 P600	I317-W344 HydrophobicContact CG2-CH2 4.19Å; T319-W344 HydrophobicContact CG2-CH2 3.48Å; T319-W344 VanDerWaalsContact CG2-CH2 3.48Å; T319-W344 HydrophobicContact CG2-CZ2 4.34Å; T319-W344 HydrophobicContact CG2-CZ3 3.67Å; T319-W344 WeakPolarHBondContact OG1-CZ3 3.36Å; L336-W344 HydrophobicContact CB-CE3 3.89Å; L336-W344 HydrophobicContact CB-CZ3 4.4Å; Y337-W344 WeakPolarHBondContact O-CA 3.49Å; R338-W344 HydrophobicContact CB-CD2 4.09Å; R338-W344 HydrophobicContact CB-CE3 4.02Å; R338-W344 HydrophobicContact CB-CH2 3.97Å; R338-W344 HydrophobicContact CB-CZ2 4.04Å; R338-W344 HydrophobicContact CB-CZ3 3.96Å; R338-W344 HydrophobicContact CG-CD2 4.37Å; R338-W344 HydrophobicContact CG-CZ2 4.36Å; W344-L569 HydrophobicContact CH2-CD2 3.79Å; W344-L569 HydrophobicContact CZ2-CD2 3.8Å; W344-I583 HydrophobicContact CZ2-CD1 3.75Å; W344-E598 PolarHBondContact NE1-O 3.4Å; W344-L599 HydrophobicContact CH2-CD2 4.23Å; W344-L599 HydrophobicContact CZ2-CD2 3.69Å; W344-P600 HydrophobicContact CB-CG 3.51Å; W344-P600 HydrophobicContact CG-CG 3.68Å
345	N	94.5	Very high	91.7	Very high	52 Å²	52	52.6 Å²	52.6	28%	0.278	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	146	-177	-69	-85.7	0	0	0	110.5	L336 Y337 D339 V343 L347	L336-N345 CarbonylContact C-O 3.58Å; L336-N345 VanDerWaalsContact CA-O 3.22Å; L336-N345 WeakPolarHBondContact CA-O 3.38Å; Y337-N345 HydrophobicContact CD1-CB 3.77Å; Y337-N345 VanDerWaalsContact CD1-O 3.3Å; Y337-N345 WeakPolarHBondContact CD1-O 3.39Å; Y337-N345 HydrophobicContact CE1-CB 3.3Å; Y337-N345 HydrophobicContact CE2-CB 4.17Å; Y337-N345 HydrophobicContact CG-CB 4.41Å; Y337-N345 PolarHBondContact N-O 3Å; Y337-N345 PolarHBondContact O-N 3.01Å; D339-N345 PolarHBondContact OD2-ND2 2.81Å; V343-N345 PolarHBondContact O-ND2 3.29Å; V343-N345 VanDerWaalsContact O-ND2 3.12Å; N345-L347 PolarHBondContact O-N 2.92Å
346	K	95.1	Very high	91.4	Very high	108 Å²	108	53.6 Å²	53.6	47%	0.47	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	122.8	175.6	-177.4	162.4	172.2	162.8	0	110.5	D334 L336 E349	D334-K346 WeakPolarHBondContact OD1-CE 3.16Å; D334-K346 IonicContact OD1-NZ 2.65Å; D334-K346 PolarHBondContact OD1-NZ 3.05Å; L336-K346 HydrophobicContact CD2-CB 3.89Å; L336-K346 HydrophobicContact CD2-CG 4.2Å; K346-E349 IonicContact NZ-OE1 3.01Å; K346-E349 PolarHBondContact NZ-OE1 3.45Å
347	L	94.9	Very high	91.3	Very high	21 Å²	21	52.2 Å²	52.2	11%	0.11	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	-52	177.5	-175.1	59	0	0	0	111.3	L318 V335 Y337 N345 Y391 I613	L318-L347 HydrophobicContact CD1-CD2 4.26Å; L318-L347 HydrophobicContact CD2-CD2 3.88Å; V335-L347 HydrophobicContact CG1-CB 4.32Å; V335-L347 HydrophobicContact CG1-CD2 4.22Å; V335-L347 WeakPolarHBondContact O-CB 3.18Å; V335-L347 PolarHBondContact O-N 2.87Å; Y337-L347 HydrophobicContact CD1-CB 3.89Å; Y337-L347 HydrophobicContact CD1-CD1 4.29Å; Y337-L347 HydrophobicContact CE1-CD1 4.47Å; N345-L347 PolarHBondContact O-N 2.92Å; L347-Y391 HydrophobicContact CD2-CE1 3.81Å; L347-Y391 HydrophobicContact CG-CE1 4.36Å; L347-Y391 WeakPolarHBondContact CG-OH 3.47Å; L347-I613 HydrophobicContact CD2-CG2 4.29Å
348	T	96.1	Very high	91.3	Very high	20 Å²	20	50.9 Å²	50.9	12%	0.123	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-165	-179.3	-173.8	-167.5	0	0	0	0	110.5	V335 Y391 N396 W398	V335-T348 HydrophobicContact CB-CG2 3.73Å; V335-T348 HydrophobicContact CG1-CG2 4.26Å; V335-T348 HydrophobicContact CG2-CG2 3.92Å; V335-T348 PolarHBondContact N-O 2.88Å; V335-T348 PolarHBondContact O-N 2.93Å; T348-Y391 HydrophobicContact CG2-CD2 4.1Å; T348-Y391 HydrophobicContact CG2-CE1 4.4Å; T348-Y391 HydrophobicContact CG2-CE2 3.65Å; T348-N396 WeakPolarHBondContact CB-OD1 3.33Å; T348-N396 PolarHBondContact OG1-OD1 3.19Å; T348-W398 HydrophobicContact CG2-CZ2 3.64Å; T348-W398 PolarHBondContact OG1-NE1 3.03Å; T348-W398 VanDerWaalsContact OG1-NE1 3.15Å
349	E	95.8	Very high	91.5	Very high	95 Å²	95	51 Å²	51	44%	0.444	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	141	169.3	-71.7	-172.8	-163.6	0	0	110.9	K333 K346 W398	K333-E349 HydrophobicContact CB-CB 4.19Å; K333-E349 HydrophobicContact CB-CG 4.36Å; K333-E349 CarbonylContact O-C 3.14Å; K333-E349 WeakPolarHBondContact O-CA 3.34Å; K346-E349 IonicContact NZ-OE1 3.01Å; K346-E349 PolarHBondContact NZ-OE1 3.45Å; E349-W398 PolarHBondContact O-NE1 2.97Å
350	M	93.6	Very high	91.8	Very high	6 Å²	6	49.8 Å²	49.8	3%	0.03	26%	0.256	C	S	.	.			trans	-63.9	141.7	170.1	-64	-172.5	-65.5	0	0	111.3	V320 S332 K333 V335 A352 I368 W398	V320-M350 HydrophobicContact CG1-CG 4.39Å; V320-M350 HydrophobicContact CG1-SD 3.53Å; V320-M350 VanDerWaalsContact CG1-SD 3.53Å; S332-M350 WeakPolarHBondContact O-CE 3.18Å; K333-M350 WeakPolarHBondContact CD-O 3.46Å; K333-M350 WeakPolarHBondContact CE-O 3.46Å; K333-M350 PolarHBondContact NZ-O 3.32Å; K333-M350 VanDerWaalsContact NZ-O 3.15Å; K333-M350 WeakPolarHBondContact O-CG 3.38Å; K333-M350 PolarHBondContact O-N 3.26Å; V335-M350 HydrophobicContact CG2-CG 3.97Å; M350-A352 VanDerWaalsContact C-N 3.26Å; M350-A352 VanDerWaalsContact CB-O 3.3Å; M350-A352 WeakPolarHBondContact CB-O 3.33Å; M350-A352 PolarHBondContact O-N 2.91Å; M350-I368 HydrophobicContact CG-CD1 3.87Å; M350-I368 HydrophobicContact SD-CD1 3.71Å; M350-I368 HydrophobicContact SD-CG2 4.39Å; M350-W398 HydrophobicContact CG-CH2 4.12Å; M350-W398 HydrophobicContact CG-CZ2 4.37Å
351	P	91.3	Very high	92.2	Very high	47 Å²	47	46 Å²	46	31%	0.305	24%	0.241	S	C	.	.	S	Bend	trans	-56	-38.8	175.6	-27.5	35.1	0	0	0	113.3	K333 W398	K333-P351 PolarHBondContact NZ-O 3.17Å; P351-W398 HydrophobicContact CG-CB 4.04Å; P351-W398 HydrophobicContact CG-CD2 3.98Å; P351-W398 HydrophobicContact CG-CE3 4.13Å; P351-W398 HydrophobicContact CG-CG 3.95Å
352	A	84.9	Confident	92.5	Very high	40 Å²	40	41.2 Å²	41.2	33%	0.331	22%	0.216	S	C	.	.	S	Bend	trans	-115.4	155.3	177.1	0	0	0	0	0	111.7	M350	M350-A352 VanDerWaalsContact C-N 3.26Å; M350-A352 VanDerWaalsContact CB-O 3.3Å; M350-A352 WeakPolarHBondContact CB-O 3.33Å; M350-A352 PolarHBondContact O-N 2.91Å
353	K	81.3	Confident	92.7	Very high	107 Å²	107	39.1 Å²	39.1	47%	0.465	21%	0.209	S	C	.	.			trans	-78.2	134.9	168.5	-85.9	179.4	178.8	-177.9	0	109.3	L331 K333	L331-K353 HydrophobicContact CB-CB 4.05Å; L331-K353 HydrophobicContact CB-CD 4.45Å; L331-K353 HydrophobicContact CB-CG 4.36Å; L331-K353 HydrophobicContact CD1-CB 4.49Å; L331-K353 WeakPolarHBondContact O-CD 3.29Å; L331-K353 WeakPolarHBondContact O-CE 3.49Å; K333-K353 HydrophobicContact CD-CG 4.12Å; K333-K353 HydrophobicContact CG-CB 4.46Å; K333-K353 HydrophobicContact CG-CD 4.47Å; K333-K353 HydrophobicContact CG-CG 3.44Å; K333-K353 VanDerWaalsContact CG-CG 3.44Å
354	S	83.1	Confident	92.7	Very high	10 Å²	10	37 Å²	37	7%	0.07	20%	0.204	C	C	.	.			trans	-156.6	152.6	174.2	-178.6	0	0	0	0	111.4	G322 Q357 G370 E372	G322-S354 PolarHBondContact N-O 3.12Å; S354-Q357 VanDerWaalsContact CB-OE1 3.28Å; S354-Q357 PolarHBondContact O-OE1 3.28Å; S354-Q357 VanDerWaalsContact O-OE1 3.14Å; S354-Q357 PolarHBondContact OG-OE1 3.34Å; S354-G370 PolarHBondContact OG-O 3.31Å; S354-E372 WeakPolarHBondContact CA-O 3.47Å
355	F	86.9	Confident	92.8	Very high	6 Å²	6	35.3 Å²	35.3	3%	0.026	20%	0.197	C	C	.	.	B	Isolated β-bridge	trans	-129.5	164.6	157.9	77	-62.1	0	0	0	109.7	R323 L331 Q357 G371 E372 N375	R323-F355 HydrophobicContact CB-CB 4.38Å; R323-F355 HydrophobicContact CB-CD2 4.25Å; R323-F355 HydrophobicContact CB-CG 4.4Å; L331-F355 HydrophobicContact CD1-CD1 3.81Å; L331-F355 HydrophobicContact CD1-CE1 4.41Å; L331-F355 HydrophobicContact CD2-CB 4.14Å; L331-F355 HydrophobicContact CD2-CD1 3.34Å; L331-F355 HydrophobicContact CD2-CE1 3.9Å; L331-F355 HydrophobicContact CD2-CG 3.88Å; L331-F355 HydrophobicContact CG-CD1 4.21Å; F355-Q357 VanDerWaalsContact N-OE1 3.11Å; F355-Q357 PolarHBondContact O-N 3.02Å; F355-Q357 VanDerWaalsContact O-N 3.09Å; F355-Q357 PolarHBondContact O-OE1 3.4Å; F355-G371 WeakPolarHBondContact O-CA 3.27Å; F355-E372 HydrophobicContact CD1-CB 3.77Å; F355-E372 HydrophobicContact CE1-CB 3.38Å; F355-E372 HydrophobicContact CE1-CG 4.28Å; F355-E372 HydrophobicContact CZ-CB 4.1Å; F355-E372 VanDerWaalsContact CZ-OE2 3.31Å; F355-E372 WeakPolarHBondContact CZ-OE2 3.34Å; F355-E372 PolarHBondContact N-O 3.24Å; F355-E372 PolarHBondContact O-N 3.39Å; F355-N375 HydrophobicContact CE1-CB 4.27Å; F355-N375 HydrophobicContact CZ-CB 4.35Å
356	N	90.7	Very high	92.9	Very high	22 Å²	22	32.9 Å²	32.9	12%	0.118	18%	0.184	C	C	.	.	S	Bend	trans	59.1	13.6	-174	-57.1	-34.5	0	0	0	115.1	E372 T409 H410 G605	N356-E372 PolarHBondContact ND2-OE1 3.17Å; N356-T409 WeakPolarHBondContact CB-OG1 3.42Å; N356-H410 PolarHBondContact ND2-CE1 2.72Å; N356-G605 PolarHBondContact N-O 2.78Å; N356-G605 VanDerWaalsContact OD1-CA 3.23Å; N356-G605 WeakPolarHBondContact OD1-CA 3.4Å
357	Q	93.7	Very high	93	Very high	7 Å²	7	27.8 Å²	27.8	3%	0.033	16%	0.162	C	C	.	.			trans	-63.1	152.2	167.2	65.7	-69.7	-26.4	0	0	110.8	V320 S354 F355 I368 A369 G370 S607	V320-Q357 PolarHBondContact O-NE2 3.1Å; S354-Q357 VanDerWaalsContact CB-OE1 3.28Å; S354-Q357 PolarHBondContact O-OE1 3.28Å; S354-Q357 VanDerWaalsContact O-OE1 3.14Å; S354-Q357 PolarHBondContact OG-OE1 3.34Å; F355-Q357 VanDerWaalsContact N-OE1 3.11Å; F355-Q357 PolarHBondContact O-N 3.02Å; F355-Q357 VanDerWaalsContact O-N 3.09Å; F355-Q357 PolarHBondContact O-OE1 3.4Å; Q357-I368 HydrophobicContact CB-CG2 3.98Å; Q357-I368 HydrophobicContact CG-CG2 3.64Å; Q357-A369 WeakPolarHBondContact CA-O 3.46Å; Q357-A369 WeakPolarHBondContact CB-O 3.47Å; Q357-G370 WeakPolarHBondContact CB-O 3.18Å; Q357-S607 WeakPolarHBondContact CG-OG 3.47Å; Q357-S607 PolarHBondContact NE2-OG 2.72Å; Q357-S607 PolarHBondContact O-OG 3.42Å
358	C	96.2	Very high	93.1	Very high	20 Å²	20	27.2 Å²	27.2	14%	0.135	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.5	147.2	168.5	-60.6	0	0	0	0	110.1	A369 F411 L413	C358-A369 PolarHBondContact N-O 2.9Å; C358-A369 PolarHBondContact O-N 3.32Å; C358-F411 HydrophobicContact CB-CE1 4.26Å; C358-F411 HydrophobicContact CB-CE2 3.99Å; C358-F411 HydrophobicContact CB-CZ 3.75Å; C358-F411 PolarHBondContact SG-O 2.98Å; C358-L413 HydrophobicContact CB-CB 3.4Å; C358-L413 VanDerWaalsContact CB-CB 3.4Å; C358-L413 HydrophobicContact CB-CD2 4.19Å; C358-L413 HydrophobicContact CB-CG 4.44Å
359	V	97	Very high	93.2	Very high	21 Å²	21	26.3 Å²	26.3	13%	0.127	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	147.8	174	-61	0	0	0	0	110.1	V320 L366 Y367 I368 S607 C608 C609	V320-V359 HydrophobicContact CB-CG1 4.04Å; V320-V359 HydrophobicContact CG1-CG1 3.9Å; V320-V359 HydrophobicContact CG2-CG1 4.12Å; V359-L366 HydrophobicContact CB-CD1 3.97Å; V359-L366 HydrophobicContact CG1-CD1 4.32Å; V359-Y367 VanDerWaalsContact CA-O 3.26Å; V359-Y367 WeakPolarHBondContact CA-O 3.32Å; V359-I368 HydrophobicContact CG1-CG1 4.11Å; V359-I368 HydrophobicContact CG1-CG2 4.41Å; V359-S607 VanDerWaalsContact CG1-CB 3.46Å; V359-C608 VanDerWaalsContact CG2-O 3.28Å; V359-C608 WeakPolarHBondContact CG2-O 3.4Å; V359-C609 HydrophobicContact CG2-CB 4.01Å
360	A	97.3	Very high	93.2	Very high	7 Å²	7	22 Å²	22	6%	0.058	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	150.6	172.8	0	0	0	0	0	109.8	Y367 L413 T415 L420	A360-Y367 PolarHBondContact N-O 2.85Å; A360-Y367 PolarHBondContact O-N 2.85Å; A360-L413 HydrophobicContact CB-CD2 3.73Å; A360-L413 HydrophobicContact CB-CG 4.12Å; A360-T415 HydrophobicContact CB-CG2 3.86Å; A360-L420 HydrophobicContact CB-CD2 3.79Å
361	V	97.1	Very high	93.2	Very high	44 Å²	44	21.7 Å²	21.7	27%	0.267	13%	0.133	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	126.3	174.9	175.3	0	0	0	0	108.6	F365 L366 C609 V611	V361-F365 WeakPolarHBondContact CA-O 3.32Å; V361-L366 HydrophobicContact CG2-CD1 4.4Å; V361-C609 HydrophobicContact CG2-CB 3.85Å; V361-V611 HydrophobicContact CG1-CG2 4.21Å; V361-V611 HydrophobicContact CG2-CB 4.5Å
362	L	96	Very high	93.2	Very high	16 Å²	16	19.4 Å²	19.4	8%	0.084	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.2	128.1	178.4	175.8	64.9	0	0	0	108.1	G364 F365 Y367 T415 L420 P440	L362-G364 PolarHBondContact O-N 3.41Å; L362-G364 VanDerWaalsContact O-N 3.12Å; L362-F365 PolarHBondContact N-O 3.19Å; L362-F365 VanDerWaalsContact N-O 3.08Å; L362-F365 WeakPolarHBondContact O-CB 3.42Å; L362-F365 PolarHBondContact O-N 2.94Å; L362-Y367 HydrophobicContact CB-CD2 4.17Å; L362-Y367 HydrophobicContact CB-CE2 3.82Å; L362-Y367 HydrophobicContact CD2-CE2 4.4Å; L362-T415 HydrophobicContact CB-CG2 3.83Å; L362-T415 HydrophobicContact CD1-CG2 4.5Å; L362-L420 HydrophobicContact CD2-CD1 3.68Å; L362-P440 HydrophobicContact CD2-CG 4.04Å
363	D	93.8	Very high	93.4	Very high	58 Å²	58	20.7 Å²	20.7	31%	0.31	12%	0.12	S	C	.	.	T	Hydrogen-bonded Turn	trans	56	29.9	175.2	-57.3	-35.7	0	0	0	115.4	N301 Q304 F365	N301-D363 WeakPolarHBondContact CB-OD2 3.29Å; N301-D363 PolarHBondContact ND2-OD2 3.04Å; Q304-D363 HydrophobicContact CG-CB 3.72Å; D363-F365 VanDerWaalsContact C-N 3.27Å; D363-F365 HydrophobicContact CB-CD2 4.12Å; D363-F365 HydrophobicContact CB-CE2 4.42Å; D363-F365 PolarHBondContact O-N 3.1Å
364	G	92.8	Very high	93.6	Very high	35 Å²	35	20.5 Å²	20.5	36%	0.361	12%	0.12	S	C	.	.	T	Hydrogen-bonded Turn	trans	81.9	-2.6	-176.9	0	0	0	0	0	114.7	L362 P393	L362-G364 PolarHBondContact O-N 3.41Å; L362-G364 VanDerWaalsContact O-N 3.12Å; G364-P393 WeakPolarHBondContact O-CD 3.5Å; G364-P393 VanDerWaalsContact O-CG 3.31Å; G364-P393 WeakPolarHBondContact O-CG 3.48Å
365	F	96.1	Very high	93.5	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	145.2	172.7	-58.2	-85	0	0	0	111.6	Q300 V361 L362 D363 Y367 R390 D392	Q300-F365 HydrophobicContact CB-CE2 4.07Å; Q300-F365 HydrophobicContact CB-CZ 3.67Å; Q300-F365 HydrophobicContact CG-CZ 4.44Å; Q300-F365 VanDerWaalsContact OE1-CZ 3.29Å; V361-F365 WeakPolarHBondContact CA-O 3.32Å; L362-F365 PolarHBondContact N-O 3.19Å; L362-F365 VanDerWaalsContact N-O 3.08Å; L362-F365 WeakPolarHBondContact O-CB 3.42Å; L362-F365 PolarHBondContact O-N 2.94Å; D363-F365 VanDerWaalsContact C-N 3.27Å; D363-F365 HydrophobicContact CB-CD2 4.12Å; D363-F365 HydrophobicContact CB-CE2 4.42Å; D363-F365 PolarHBondContact O-N 3.1Å; F365-Y367 HydrophobicContact CB-CD2 4.32Å; F365-Y367 HydrophobicContact CB-CE2 3.8Å; F365-R390 HydrophobicContact CB-CG 3.67Å; F365-R390 HydrophobicContact CD1-CG 4.08Å; F365-R390 VanDerWaalsContact CE1-CZ 3.49Å; F365-R390 HydrophobicContact CG-CG 4.09Å; F365-D392 HydrophobicContact CD1-CB 4Å; F365-D392 HydrophobicContact CE1-CB 4Å; F365-D392 WeakPolarHBondContact CE1-OD2 3.36Å
366	L	97.5	Very high	93.2	Very high	1 Å²	1	24.6 Å²	24.6	1%	0.005	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	125.7	168	166.6	63.3	0	0	0	109.3	L318 V320 V359 V361 I368 R390 Y391	L318-L366 HydrophobicContact CD1-CD2 3.92Å; V320-L366 HydrophobicContact CG2-CD2 4.19Å; V359-L366 HydrophobicContact CB-CD1 3.97Å; V359-L366 HydrophobicContact CG1-CD1 4.32Å; V361-L366 HydrophobicContact CG2-CD1 4.4Å; L366-I368 HydrophobicContact CD1-CG1 4.45Å; L366-I368 HydrophobicContact CD2-CD1 4.44Å; L366-I368 HydrophobicContact CG-CG1 4.22Å; L366-R390 CarbonylContact O-C 3.57Å; L366-R390 VanDerWaalsContact O-CA 3.32Å; L366-R390 WeakPolarHBondContact O-CA 3.45Å; L366-Y391 HydrophobicContact CB-CD1 4.28Å; L366-Y391 HydrophobicContact CD2-CD1 4.33Å; L366-Y391 PolarHBondContact N-O 3.08Å; L366-Y391 PolarHBondContact O-N 2.82Å
367	Y	97.7	Very high	92.2	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	139.8	171.7	-70.2	-98.1	0	0	0	110.2	N301 V359 A360 L362 F365 F388 C389 R390 L401 L420 Y438	N301-Y367 PolarHBondContact ND2-OH 3.14Å; N301-Y367 VanDerWaalsContact ND2-OH 3.11Å; N301-Y367 PolarHBondContact OD1-OH 3.14Å; V359-Y367 VanDerWaalsContact CA-O 3.26Å; V359-Y367 WeakPolarHBondContact CA-O 3.32Å; A360-Y367 PolarHBondContact N-O 2.85Å; A360-Y367 PolarHBondContact O-N 2.85Å; L362-Y367 HydrophobicContact CB-CD2 4.17Å; L362-Y367 HydrophobicContact CB-CE2 3.82Å; L362-Y367 HydrophobicContact CD2-CE2 4.4Å; F365-Y367 HydrophobicContact CB-CD2 4.32Å; F365-Y367 HydrophobicContact CB-CE2 3.8Å; Y367-F388 HydrophobicContact CD1-CE1 4.02Å; Y367-F388 AromaticContact CD1-CE2 3.92Å; Y367-F388 HydrophobicContact CD1-CE2 3.92Å; Y367-F388 AromaticContact CD1-CZ 3.37Å; Y367-F388 HydrophobicContact CD1-CZ 3.37Å; Y367-F388 HydrophobicContact CE1-CE1 4.35Å; Y367-F388 HydrophobicContact CE1-CZ 4.06Å; Y367-F388 HydrophobicContact CG-CE2 4.47Å; Y367-F388 HydrophobicContact CG-CZ 4.22Å; Y367-C389 WeakPolarHBondContact CA-O 3.49Å; Y367-R390 HydrophobicContact CD1-CB 4.01Å; Y367-R390 HydrophobicContact CD1-CG 4.01Å; Y367-R390 HydrophobicContact CD2-CG 4.26Å; Y367-R390 HydrophobicContact CE1-CB 3.98Å; Y367-R390 HydrophobicContact CE1-CG 3.78Å; Y367-R390 HydrophobicContact CE2-CG 3.98Å; Y367-R390 HydrophobicContact CG-CG 4.28Å; Y367-R390 VanDerWaalsContact OH-CD 3.29Å; Y367-R390 WeakPolarHBondContact OH-CD 3.31Å; Y367-L401 HydrophobicContact CD1-CD1 3.85Å; Y367-L401 HydrophobicContact CE1-CD1 3.56Å; Y367-L420 HydrophobicContact CD1-CD1 4.35Å; Y367-L420 HydrophobicContact CD1-CD2 4.29Å; Y367-L420 HydrophobicContact CD2-CD2 4.23Å; Y367-L420 HydrophobicContact CE1-CD1 4.26Å; Y367-L420 HydrophobicContact CG-CD1 4.45Å; Y367-L420 HydrophobicContact CG-CD2 3.85Å; Y367-Y438 HydrophobicContact CE1-CE1 4.12Å
368	I	97.1	Very high	91	Very high	10 Å²	10	38.3 Å²	38.3	5%	0.051	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	128.1	176.2	-50.3	-172	0	0	0	108.8	V320 M350 Q357 V359 L366 F388 C389 W398	V320-I368 HydrophobicContact CG1-CD1 3.53Å; V320-I368 HydrophobicContact CG1-CG1 4.4Å; M350-I368 HydrophobicContact CG-CD1 3.87Å; M350-I368 HydrophobicContact SD-CD1 3.71Å; M350-I368 HydrophobicContact SD-CG2 4.39Å; Q357-I368 HydrophobicContact CB-CG2 3.98Å; Q357-I368 HydrophobicContact CG-CG2 3.64Å; V359-I368 HydrophobicContact CG1-CG1 4.11Å; V359-I368 HydrophobicContact CG1-CG2 4.41Å; L366-I368 HydrophobicContact CD1-CG1 4.45Å; L366-I368 HydrophobicContact CD2-CD1 4.44Å; L366-I368 HydrophobicContact CG-CG1 4.22Å; I368-F388 WeakPolarHBondContact O-CA 3.36Å; I368-F388 VanDerWaalsContact O-CD2 3.26Å; I368-F388 WeakPolarHBondContact O-CD2 3.29Å; I368-C389 PolarHBondContact N-O 3.25Å; I368-C389 PolarHBondContact O-N 2.86Å; I368-C389 VanDerWaalsContact O-N 3.08Å; I368-W398 HydrophobicContact CD1-CH2 3.43Å; I368-W398 VanDerWaalsContact CD1-CH2 3.43Å; I368-W398 HydrophobicContact CD1-CZ3 3.7Å; I368-W398 HydrophobicContact CG1-CH2 4.35Å; I368-W398 HydrophobicContact CG1-CZ3 4.21Å
369	A	97.3	Very high	89.9	Confident	0 Å²	0	41 Å²	41	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131	138.8	-176.5	0	0	0	0	0	112.7	Q357 C358 F388 M404 F411 L413	Q357-A369 WeakPolarHBondContact CA-O 3.46Å; Q357-A369 WeakPolarHBondContact CB-O 3.47Å; C358-A369 PolarHBondContact N-O 2.9Å; C358-A369 PolarHBondContact O-N 3.32Å; A369-F388 HydrophobicContact CB-CD2 3.65Å; A369-F388 HydrophobicContact CB-CE2 3.95Å; A369-M404 HydrophobicContact CB-CE 4.39Å; A369-M404 HydrophobicContact CB-SD 4.17Å; A369-F411 HydrophobicContact CB-CE2 4.38Å; A369-F411 HydrophobicContact CB-CZ 3.88Å; A369-F411 VanDerWaalsContact O-CZ 3.29Å; A369-F411 WeakPolarHBondContact O-CZ 3.43Å; A369-L413 HydrophobicContact CB-CD1 4.48Å; A369-L413 HydrophobicContact CB-CD2 3.97Å
370	G	95.8	Very high	88.6	Confident	4 Å²	4	42.7 Å²	42.7	4%	0.041	23%	0.229	C	C	.	.			trans	61.9	-146.5	166.7	0	0	0	0	0	114.2	S354 Q357 V385 N387	S354-G370 PolarHBondContact OG-O 3.31Å; Q357-G370 WeakPolarHBondContact CB-O 3.18Å; G370-V385 WeakPolarHBondContact O-CG2 3.35Å; G370-N387 PolarHBondContact N-O 3Å
371	G	94.1	Very high	87.6	Confident	0 Å²	0	42.6 Å²	42.6	0%	0	23%	0.228	C	C	.	.			trans	96.5	-158.9	-174.8	0	0	0	0	0	112.7	F355 A384 V385 R408	F355-G371 WeakPolarHBondContact O-CA 3.27Å; G371-A384 WeakPolarHBondContact O-CA 3.3Å; G371-V385 PolarHBondContact O-N 2.91Å; G371-R408 PolarHBondContact N-O 3.23Å
372	E	91.1	Very high	87.1	Confident	0 Å²	0	46.9 Å²	46.9	0%	0	24%	0.243	C	C	.	.	B	Isolated β-bridge	trans	-122.8	128.8	-177.7	-79.5	157	-102.3	0	0	111.7	L331 S354 F355 N356 Q380 H383 T409	L331-E372 VanDerWaalsContact CD1-O 3.31Å; L331-E372 WeakPolarHBondContact CD1-O 3.41Å; S354-E372 WeakPolarHBondContact CA-O 3.47Å; F355-E372 HydrophobicContact CD1-CB 3.77Å; F355-E372 HydrophobicContact CE1-CB 3.38Å; F355-E372 HydrophobicContact CE1-CG 4.28Å; F355-E372 HydrophobicContact CZ-CB 4.1Å; F355-E372 VanDerWaalsContact CZ-OE2 3.31Å; F355-E372 WeakPolarHBondContact CZ-OE2 3.34Å; F355-E372 PolarHBondContact N-O 3.24Å; F355-E372 PolarHBondContact O-N 3.39Å; N356-E372 PolarHBondContact ND2-OE1 3.17Å; E372-Q380 WeakPolarHBondContact OE2-CB 3.47Å; E372-Q380 WeakPolarHBondContact OE2-CG 3.48Å; E372-H383 WeakPolarHBondContact CA-O 3.46Å; E372-T409 HydrophobicContact CG-CG2 3.89Å; E372-T409 WeakPolarHBondContact OE1-CB 3.34Å; E372-T409 WeakPolarHBondContact OE1-CG2 3.34Å; E372-T409 PolarHBondContact OE1-OG1 2.83Å
373	D	88.2	Confident	86.8	Confident	67 Å²	67	47.3 Å²	47.3	36%	0.358	25%	0.245	S	C	.	.	S	Bend	trans	-80	-18.6	-179.8	72.5	6.7	0	0	0	114.6	L331 H383 V385	L331-D373 VanDerWaalsContact CD1-C 3.48Å; L331-D373 VanDerWaalsContact CD1-O 3.27Å; L331-D373 WeakPolarHBondContact CD1-O 3.34Å; D373-H383 PolarHBondContact N-O 2.72Å; D373-H383 IonicContact OD1-CG 3.68Å; D373-H383 IonicContact OD1-ND1 3.65Å; D373-H383 PolarHBondContact OD1-ND1 3.36Å; D373-V385 HydrophobicContact CB-CG1 3.84Å
374	Q	86.1	Confident	86.8	Confident	103 Å²	103	44.6 Å²	44.6	48%	0.481	23%	0.231	S	C	.	.	S	Bend	trans	-145.8	144.7	-178.6	-67.6	161.8	72.5	0	0	110.1	D376 H383	Q374-D376 PolarHBondContact O-N 3.5Å; Q374-H383 HydrophobicContact CB-CB 4.45Å; Q374-H383 PolarHBondContact NE2-CE1 2.85Å; Q374-H383 VanDerWaalsContact NE2-CE1 3.33Å; Q374-H383 PolarHBondContact NE2-ND1 2.82Å; Q374-H383 PolarHBondContact OE1-CE1 3.01Å
375	N	81.5	Confident	87	Confident	58 Å²	58	43.5 Å²	43.5	31%	0.31	22%	0.217	S	C	.	.			trans	-87.2	88.7	173.8	179.9	24.4	0	0	0	110.5	R323 E328 L331 F355	R323-N375 WeakPolarHBondContact CD-ND2 3.48Å; R323-N375 PolarHBondContact NH1-ND2 3.33Å; E328-N375 PolarHBondContact O-ND2 2.8Å; L331-N375 HydrophobicContact CD2-CB 4.44Å; F355-N375 HydrophobicContact CE1-CB 4.27Å; F355-N375 HydrophobicContact CZ-CB 4.35Å
376	D	79.4	Confident	87	Confident	44 Å²	44	44.3 Å²	44.3	24%	0.235	22%	0.222	C	C	.	.			trans	-102.4	97.5	166.1	-175.5	7.4	0	0	0	110.9	Q374 R378 N379 Q380	Q374-D376 PolarHBondContact O-N 3.5Å; D376-R378 PolarHBondContact O-N 3.06Å; D376-R378 WeakPolarHBondContact OD1-CB 3.2Å; D376-R378 PolarHBondContact OD1-N 3.09Å; D376-N379 CarbonylContact O-C 3.4Å; D376-N379 PolarHBondContact O-N 3.17Å; D376-Q380 WeakPolarHBondContact O-CG 3.37Å; D376-Q380 PolarHBondContact O-N 3.05Å
377	A	70.4	Confident	86.9	Confident	85 Å²	85	47.5 Å²	47.5	70%	0.702	24%	0.239	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.6	-17.1	176.5	0	0	0	0	0	114.2
378	R	68.7	Low	86.8	Confident	232 Å²	232	47.6 Å²	47.6	88%	0.875	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	-89.1	-25.4	175.4	-68.7	179.1	-75.4	-167.3	-6.5	113.2	D376	D376-R378 PolarHBondContact O-N 3.06Å; D376-R378 WeakPolarHBondContact OD1-CB 3.2Å; D376-R378 PolarHBondContact OD1-N 3.09Å
379	N	72.3	Confident	86.8	Confident	76 Å²	76	47.8 Å²	47.8	41%	0.406	24%	0.242	S	C	.	.			trans	-155.1	58.8	-179.3	-160.3	-6	0	0	0	114.3	D376 A381 K382	D376-N379 CarbonylContact O-C 3.4Å; D376-N379 PolarHBondContact O-N 3.17Å; N379-A381 PolarHBondContact O-N 2.88Å; N379-K382 HydrophobicContact CB-CB 4.38Å; N379-K382 VanDerWaalsContact O-CB 3.3Å; N379-K382 WeakPolarHBondContact O-CB 3.42Å; N379-K382 PolarHBondContact O-N 3.35Å
380	Q	69.5	Low	86.8	Confident	56 Å²	56	48.2 Å²	48.2	26%	0.262	24%	0.244	S	C	.	.	G	3₁₀ helix	trans	-43.6	-39.2	174.7	-70.8	173.4	-23.8	0	0	113.7	E372 D376 K382 H383	E372-Q380 WeakPolarHBondContact OE2-CB 3.47Å; E372-Q380 WeakPolarHBondContact OE2-CG 3.48Å; D376-Q380 WeakPolarHBondContact O-CG 3.37Å; D376-Q380 PolarHBondContact O-N 3.05Å; Q380-K382 VanDerWaalsContact C-N 3.25Å; Q380-K382 PolarHBondContact O-N 3.27Å; Q380-H383 PolarHBondContact O-N 3.43Å; Q380-H383 VanDerWaalsContact O-N 3.15Å
381	A	77.9	Confident	86.8	Confident	5 Å²	5	48 Å²	48	4%	0.041	24%	0.242	C	C	.	.	G	3₁₀ helix	trans	-62.9	-30.6	-176.3	0	0	0	0	0	113.2	N379 H383 A384 N427 A428	N379-A381 PolarHBondContact O-N 2.88Å; A381-H383 PolarHBondContact O-N 3.16Å; A381-A384 PolarHBondContact O-N 2.84Å; A381-N427 WeakPolarHBondContact CB-O 3.5Å; A381-N427 CarbonylContact O-C 3.33Å; A381-N427 WeakPolarHBondContact O-CA 3.35Å; A381-A428 PolarHBondContact O-N 3.49Å
382	K	85.8	Confident	86.9	Confident	135 Å²	135	48.3 Å²	48.3	59%	0.587	24%	0.243	S	C	*	.	G	3₁₀ helix	trans	-64.8	-28	178.4	-172.7	-176.7	176.5	-170.7	0	113.1	N379 Q380	N379-K382 HydrophobicContact CB-CB 4.38Å; N379-K382 VanDerWaalsContact O-CB 3.3Å; N379-K382 WeakPolarHBondContact O-CB 3.42Å; N379-K382 PolarHBondContact O-N 3.35Å; Q380-K382 VanDerWaalsContact C-N 3.25Å; Q380-K382 PolarHBondContact O-N 3.27Å
383	H	90.4	Very high	87	Confident	24 Å²	24	48.6 Å²	48.6	11%	0.111	25%	0.245	C	C	.	.	G	3₁₀ helix	trans	-97	8.8	-173.9	-71	-78	0	0	0	113.8	E372 D373 Q374 Q380 A381 V385	E372-H383 WeakPolarHBondContact CA-O 3.46Å; D373-H383 PolarHBondContact N-O 2.72Å; D373-H383 IonicContact OD1-CG 3.68Å; D373-H383 IonicContact OD1-ND1 3.65Å; D373-H383 PolarHBondContact OD1-ND1 3.36Å; Q374-H383 HydrophobicContact CB-CB 4.45Å; Q374-H383 PolarHBondContact NE2-CE1 2.85Å; Q374-H383 VanDerWaalsContact NE2-CE1 3.33Å; Q374-H383 PolarHBondContact NE2-ND1 2.82Å; Q374-H383 PolarHBondContact OE1-CE1 3.01Å; Q380-H383 PolarHBondContact O-N 3.43Å; Q380-H383 VanDerWaalsContact O-N 3.15Å; A381-H383 PolarHBondContact O-N 3.16Å; H383-V385 PolarHBondContact O-N 3.11Å
384	A	94.3	Very high	87.1	Confident	2 Å²	2	47 Å²	47	2%	0.017	23%	0.234	C	C	.	.	B	Isolated β-bridge	trans	-60.2	129.6	173	0	0	0	0	0	111.5	G371 A381 R407 T409 N427	G371-A384 WeakPolarHBondContact O-CA 3.3Å; A381-A384 PolarHBondContact O-N 2.84Å; A384-R407 HydrophobicContact CB-CB 4.12Å; A384-R407 WeakPolarHBondContact O-CB 3.43Å; A384-R407 WeakPolarHBondContact O-CD 3.35Å; A384-R407 PolarHBondContact O-NH1 2.82Å; A384-T409 HydrophobicContact CB-CG2 4.28Å; A384-N427 HydrophobicContact CB-CB 3.92Å
385	V	95.3	Very high	87.3	Confident	11 Å²	11	44.8 Å²	44.8	7%	0.067	22%	0.223	C	C	.	.			trans	-107.1	161.7	175.8	-62.5	0	0	0	0	112	G370 G371 D373 H383 N387 R407 R408	G370-V385 WeakPolarHBondContact O-CG2 3.35Å; G371-V385 PolarHBondContact O-N 2.91Å; D373-V385 HydrophobicContact CB-CG1 3.84Å; H383-V385 PolarHBondContact O-N 3.11Å; V385-N387 HydrophobicContact CB-CB 4.49Å; V385-N387 HydrophobicContact CG2-CB 4.23Å; V385-R407 WeakPolarHBondContact O-CA 3.46Å; V385-R408 PolarHBondContact O-N 2.91Å
386	S	96.3	Very high	87.9	Confident	17 Å²	17	44.8 Å²	44.8	12%	0.119	22%	0.223	C	C	.	.			trans	-109.8	7.4	171.2	53.8	0	0	0	0	112.7	F388 N403 M404	S386-F388 PolarHBondContact O-N 2.71Å; S386-N403 CarbonylContact O-C 3.54Å; S386-N403 WeakPolarHBondContact O-CA 3.29Å; S386-N403 VanDerWaalsContact O-CB 3.31Å; S386-N403 WeakPolarHBondContact O-CB 3.48Å; S386-M404 VanDerWaalsContact CB-O 3.25Å; S386-M404 WeakPolarHBondContact CB-O 3.19Å; S386-M404 PolarHBondContact O-N 3.48Å
387	N	95.1	Very high	88.6	Confident	68 Å²	68	46 Å²	46	36%	0.364	23%	0.232	S	C	.	.			trans	-51.6	132.3	-178.6	-70.4	37.7	0	0	0	111.3	G370 V385 N403	G370-N387 PolarHBondContact N-O 3Å; V385-N387 HydrophobicContact CB-CB 4.49Å; V385-N387 HydrophobicContact CG2-CB 4.23Å; N387-N403 WeakPolarHBondContact CA-OD1 3.2Å
388	F	96.8	Very high	89.8	Confident	2 Å²	2	44.4 Å²	44.4	1%	0.009	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	125.5	175.8	-167.9	-132.9	0	0	0	110.3	Y367 I368 A369 S386 L401 N403 L420 Y438 W445	Y367-F388 HydrophobicContact CD1-CE1 4.02Å; Y367-F388 AromaticContact CD1-CE2 3.92Å; Y367-F388 HydrophobicContact CD1-CE2 3.92Å; Y367-F388 AromaticContact CD1-CZ 3.37Å; Y367-F388 HydrophobicContact CD1-CZ 3.37Å; Y367-F388 HydrophobicContact CE1-CE1 4.35Å; Y367-F388 HydrophobicContact CE1-CZ 4.06Å; Y367-F388 HydrophobicContact CG-CE2 4.47Å; Y367-F388 HydrophobicContact CG-CZ 4.22Å; I368-F388 WeakPolarHBondContact O-CA 3.36Å; I368-F388 VanDerWaalsContact O-CD2 3.26Å; I368-F388 WeakPolarHBondContact O-CD2 3.29Å; A369-F388 HydrophobicContact CB-CD2 3.65Å; A369-F388 HydrophobicContact CB-CE2 3.95Å; S386-F388 PolarHBondContact O-N 2.71Å; F388-L401 HydrophobicContact CD1-CB 3.55Å; F388-L401 HydrophobicContact CD1-CD1 3.73Å; F388-L401 HydrophobicContact CD1-CG 4.28Å; F388-L401 HydrophobicContact CE1-CB 4.18Å; F388-L401 HydrophobicContact CE1-CD1 3.52Å; F388-L401 HydrophobicContact CG-CB 4.32Å; F388-L401 HydrophobicContact CZ-CD1 4.26Å; F388-L401 PolarHBondContact O-N 2.9Å; F388-N403 PolarHBondContact N-OD1 2.97Å; F388-L420 HydrophobicContact CZ-CD2 4.29Å; F388-Y438 HydrophobicContact CD1-CD2 4.13Å; F388-Y438 HydrophobicContact CD1-CE2 4.09Å; F388-Y438 AromaticContact CE1-CD1 3.72Å; F388-Y438 HydrophobicContact CE1-CD1 3.72Å; F388-Y438 AromaticContact CE1-CD2 3.58Å; F388-Y438 HydrophobicContact CE1-CD2 3.58Å; F388-Y438 AromaticContact CE1-CE1 3.78Å; F388-Y438 HydrophobicContact CE1-CE1 3.78Å; F388-Y438 AromaticContact CE1-CE2 3.67Å; F388-Y438 HydrophobicContact CE1-CE2 3.67Å; F388-Y438 AromaticContact CE1-CG 3.6Å; F388-Y438 HydrophobicContact CE1-CG 3.6Å; F388-Y438 AromaticContact CE1-CZ 3.77Å; F388-Y438 HydrophobicContact CZ-CD1 4.09Å; F388-Y438 HydrophobicContact CZ-CE1 4.4Å; F388-Y438 HydrophobicContact CZ-CG 4.14Å; F388-W445 AromaticContact CD1-CE2 3.97Å; F388-W445 AromaticContact CD1-CZ2 3.73Å; F388-W445 HydrophobicContact CD1-CZ2 3.73Å; F388-W445 AromaticContact CD1-NE1 3.66Å; F388-W445 AromaticContact CD2-CZ2 3.89Å; F388-W445 HydrophobicContact CD2-CZ2 3.89Å; F388-W445 AromaticContact CE1-CZ2 3.68Å; F388-W445 HydrophobicContact CE1-CZ2 3.68Å; F388-W445 HydrophobicContact CE2-CH2 4.41Å; F388-W445 AromaticContact CE2-CZ2 3.85Å; F388-W445 HydrophobicContact CE2-CZ2 3.85Å; F388-W445 AromaticContact CG-CZ2 3.84Å; F388-W445 HydrophobicContact CG-CZ2 3.84Å; F388-W445 HydrophobicContact CZ-CH2 4.34Å; F388-W445 AromaticContact CZ-CZ2 3.73Å; F388-W445 HydrophobicContact CZ-CZ2 3.73Å
389	C	96.4	Very high	91.1	Very high	15 Å²	15	35.4 Å²	35.4	10%	0.101	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	157.2	177	60.6	0	0	0	0	111.7	Y367 I368 W398 I399	Y367-C389 WeakPolarHBondContact CA-O 3.49Å; I368-C389 PolarHBondContact N-O 3.25Å; I368-C389 PolarHBondContact O-N 2.86Å; I368-C389 VanDerWaalsContact O-N 3.08Å; C389-W398 HydrophobicContact CB-CE3 4.23Å; C389-W398 VanDerWaalsContact SG-CZ3 3.59Å; C389-I399 WeakPolarHBondContact CA-O 3.34Å; C389-I399 WeakPolarHBondContact CB-O 3.45Å
390	R	96.6	Very high	92.2	Very high	8 Å²	8	37.6 Å²	37.6	3%	0.03	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	134.5	177.1	-171.5	-172	77.4	178.9	2	109.7	P297 N301 F365 L366 Y367 W398 I399 L401	P297-R390 PolarHBondContact O-NH1 2.79Å; P297-R390 PolarHBondContact O-NH2 3Å; P297-R390 VanDerWaalsContact O-NH2 3.08Å; N301-R390 PolarHBondContact OD1-NH1 3.38Å; F365-R390 HydrophobicContact CB-CG 3.67Å; F365-R390 HydrophobicContact CD1-CG 4.08Å; F365-R390 VanDerWaalsContact CE1-CZ 3.49Å; F365-R390 HydrophobicContact CG-CG 4.09Å; L366-R390 CarbonylContact O-C 3.57Å; L366-R390 VanDerWaalsContact O-CA 3.32Å; L366-R390 WeakPolarHBondContact O-CA 3.45Å; Y367-R390 HydrophobicContact CD1-CB 4.01Å; Y367-R390 HydrophobicContact CD1-CG 4.01Å; Y367-R390 HydrophobicContact CD2-CG 4.26Å; Y367-R390 HydrophobicContact CE1-CB 3.98Å; Y367-R390 HydrophobicContact CE1-CG 3.78Å; Y367-R390 HydrophobicContact CE2-CG 3.98Å; Y367-R390 HydrophobicContact CG-CG 4.28Å; Y367-R390 VanDerWaalsContact OH-CD 3.29Å; Y367-R390 WeakPolarHBondContact OH-CD 3.31Å; R390-W398 WeakPolarHBondContact O-CA 3.4Å; R390-I399 HydrophobicContact CB-CD1 4.5Å; R390-I399 HydrophobicContact CB-CG1 3.95Å; R390-I399 PolarHBondContact N-O 2.87Å; R390-I399 PolarHBondContact O-N 3.08Å; R390-L401 HydrophobicContact CB-CD1 3.75Å; R390-L401 HydrophobicContact CB-CG 4.27Å
391	Y	97.1	Very high	93.5	Very high	1 Å²	1	35.4 Å²	35.4	0%	0.004	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	133.2	174.1	174.8	-108.7	0	0	0	110.2	L347 T348 L366 P393 N396 T397 W398	L347-Y391 HydrophobicContact CD2-CE1 3.81Å; L347-Y391 HydrophobicContact CG-CE1 4.36Å; L347-Y391 WeakPolarHBondContact CG-OH 3.47Å; T348-Y391 HydrophobicContact CG2-CD2 4.1Å; T348-Y391 HydrophobicContact CG2-CE1 4.4Å; T348-Y391 HydrophobicContact CG2-CE2 3.65Å; L366-Y391 HydrophobicContact CB-CD1 4.28Å; L366-Y391 HydrophobicContact CD2-CD1 4.33Å; L366-Y391 PolarHBondContact N-O 3.08Å; L366-Y391 PolarHBondContact O-N 2.82Å; Y391-P393 HydrophobicContact CD1-CB 4.44Å; Y391-P393 HydrophobicContact CE1-CB 3.85Å; Y391-N396 VanDerWaalsContact CE2-OD1 3.28Å; Y391-N396 WeakPolarHBondContact CE2-OD1 3.09Å; Y391-N396 PolarHBondContact OH-OD1 2.9Å; Y391-T397 WeakPolarHBondContact CA-O 3.15Å; Y391-T397 VanDerWaalsContact CD2-O 3.31Å; Y391-T397 WeakPolarHBondContact CD2-O 3.31Å; Y391-W398 AromaticContact CD2-CD2 3.87Å; Y391-W398 HydrophobicContact CD2-CD2 3.87Å; Y391-W398 AromaticContact CD2-CE2 3.55Å; Y391-W398 HydrophobicContact CD2-CE3 4.49Å; Y391-W398 HydrophobicContact CD2-CG 4.16Å; Y391-W398 AromaticContact CD2-CZ2 3.93Å; Y391-W398 HydrophobicContact CD2-CZ2 3.93Å; Y391-W398 AromaticContact CD2-NE1 3.65Å; Y391-W398 HydrophobicContact CG-CD2 4.36Å; Y391-W398 HydrophobicContact CG-CH2 4.3Å; Y391-W398 HydrophobicContact CG-CZ2 4.11Å
392	D	95.3	Very high	94.4	Very high	6 Å²	6	38 Å²	38	3%	0.032	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	107.9	171.2	-168.4	-25.4	0	0	0	109.8	F365 R394 F395 N396 T397	F365-D392 HydrophobicContact CD1-CB 4Å; F365-D392 HydrophobicContact CE1-CB 4Å; F365-D392 WeakPolarHBondContact CE1-OD2 3.36Å; D392-R394 PolarHBondContact O-N 3.07Å; D392-R394 WeakPolarHBondContact OD1-CB 3.35Å; D392-R394 WeakPolarHBondContact OD1-CG 3.19Å; D392-R394 IonicContact OD1-CZ 3.45Å; D392-R394 PolarHBondContact OD1-N 2.81Å; D392-R394 IonicContact OD1-NE 2.93Å; D392-R394 PolarHBondContact OD1-NE 2.96Å; D392-R394 IonicContact OD1-NH2 3.31Å; D392-R394 IonicContact OD2-CZ 2.68Å; D392-R394 IonicContact OD2-NE 2.73Å; D392-R394 PolarHBondContact OD2-NE 3.09Å; D392-R394 IonicContact OD2-NH2 3.39Å; D392-R394 PolarHBondContact OD2-NH2 2.88Å; D392-F395 PolarHBondContact O-N 2.92Å; D392-F395 WeakPolarHBondContact OD2-CD2 3.36Å; D392-N396 WeakPolarHBondContact O-CA 3.34Å; D392-N396 PolarHBondContact O-N 3.12Å; D392-T397 PolarHBondContact N-O 2.99Å; D392-T397 PolarHBondContact O-N 3.38Å
393	P	93.7	Very high	94.9	Very high	6 Å²	6	35.6 Å²	35.6	4%	0.039	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.2	-16.4	-179.8	28.5	-35.2	0	0	0	113.5	G364 Y391 V611 I613 P614	G364-P393 WeakPolarHBondContact O-CD 3.5Å; G364-P393 VanDerWaalsContact O-CG 3.31Å; G364-P393 WeakPolarHBondContact O-CG 3.48Å; Y391-P393 HydrophobicContact CD1-CB 4.44Å; Y391-P393 HydrophobicContact CE1-CB 3.85Å; P393-V611 HydrophobicContact CG-CG2 4.04Å; P393-I613 HydrophobicContact CB-CG2 4.03Å; P393-P614 WeakPolarHBondContact O-CD 3.31Å
394	R	90.3	Very high	95.3	Very high	34 Å²	34	34.8 Å²	34.8	13%	0.128	18%	0.177	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.5	-44.9	-179.5	-59.9	172	-71.2	-164	6.5	111.5	Y293 T308 V310 D392	Y293-R394 PolarHBondContact OH-NH1 2.77Å; Y293-R394 PolarHBondContact OH-NH2 3.17Å; T308-R394 PolarHBondContact O-NH1 2.96Å; V310-R394 HydrophobicContact CG2-CG 3.59Å; D392-R394 PolarHBondContact O-N 3.07Å; D392-R394 WeakPolarHBondContact OD1-CB 3.35Å; D392-R394 WeakPolarHBondContact OD1-CG 3.19Å; D392-R394 IonicContact OD1-CZ 3.45Å; D392-R394 PolarHBondContact OD1-N 2.81Å; D392-R394 IonicContact OD1-NE 2.93Å; D392-R394 PolarHBondContact OD1-NE 2.96Å; D392-R394 IonicContact OD1-NH2 3.31Å; D392-R394 IonicContact OD2-CZ 2.68Å; D392-R394 IonicContact OD2-NE 2.73Å; D392-R394 PolarHBondContact OD2-NE 3.09Å; D392-R394 IonicContact OD2-NH2 3.39Å; D392-R394 PolarHBondContact OD2-NH2 2.88Å
395	F	91.1	Very high	95.5	Very high	55 Å²	55	38.9 Å²	38.9	24%	0.241	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	trans	-106.2	-3.5	-175.8	-50.2	-62.3	0	0	0	112.8	T261 I262 H294 D392 T397	T261-F395 WeakPolarHBondContact O-CE1 3.47Å; I262-F395 WeakPolarHBondContact O-CE1 3.35Å; H294-F395 AromaticContact CE1-CZ 3.6Å; D392-F395 PolarHBondContact O-N 2.92Å; D392-F395 WeakPolarHBondContact OD2-CD2 3.36Å; F395-T397 VanDerWaalsContact C-N 3.28Å; F395-T397 HydrophobicContact CB-CG2 4.04Å; F395-T397 PolarHBondContact O-N 3.5Å
396	N	93.2	Very high	95.5	Very high	58 Å²	58	41.1 Å²	41.1	31%	0.31	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.8	40.7	-173	-170.9	35.2	0	0	0	112.7	T348 Y391 D392	T348-N396 WeakPolarHBondContact CB-OD1 3.33Å; T348-N396 PolarHBondContact OG1-OD1 3.19Å; Y391-N396 VanDerWaalsContact CE2-OD1 3.28Å; Y391-N396 WeakPolarHBondContact CE2-OD1 3.09Å; Y391-N396 PolarHBondContact OH-OD1 2.9Å; D392-N396 WeakPolarHBondContact O-CA 3.34Å; D392-N396 PolarHBondContact O-N 3.12Å
397	T	94.2	Very high	95.5	Very high	69 Å²	69	46.9 Å²	46.9	42%	0.423	23%	0.227	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	149.7	-176.1	53	0	0	0	0	112.3	Y391 D392 F395	Y391-T397 WeakPolarHBondContact CA-O 3.15Å; Y391-T397 VanDerWaalsContact CD2-O 3.31Å; Y391-T397 WeakPolarHBondContact CD2-O 3.31Å; D392-T397 PolarHBondContact N-O 2.99Å; D392-T397 PolarHBondContact O-N 3.38Å; F395-T397 VanDerWaalsContact C-N 3.28Å; F395-T397 HydrophobicContact CB-CG2 4.04Å; F395-T397 PolarHBondContact O-N 3.5Å
398	W	96.6	Very high	95.6	Very high	52 Å²	52	43.7 Å²	43.7	20%	0.197	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	142.5	173.3	-69.7	93	0	0	0	110.2	V335 T348 E349 M350 P351 I368 C389 R390 Y391	V335-W398 HydrophobicContact CG2-CH2 4.32Å; V335-W398 HydrophobicContact CG2-CZ2 4.09Å; T348-W398 HydrophobicContact CG2-CZ2 3.64Å; T348-W398 PolarHBondContact OG1-NE1 3.03Å; T348-W398 VanDerWaalsContact OG1-NE1 3.15Å; E349-W398 PolarHBondContact O-NE1 2.97Å; M350-W398 HydrophobicContact CG-CH2 4.12Å; M350-W398 HydrophobicContact CG-CZ2 4.37Å; P351-W398 HydrophobicContact CG-CB 4.04Å; P351-W398 HydrophobicContact CG-CD2 3.98Å; P351-W398 HydrophobicContact CG-CE3 4.13Å; P351-W398 HydrophobicContact CG-CG 3.95Å; I368-W398 HydrophobicContact CD1-CH2 3.43Å; I368-W398 VanDerWaalsContact CD1-CH2 3.43Å; I368-W398 HydrophobicContact CD1-CZ3 3.7Å; I368-W398 HydrophobicContact CG1-CH2 4.35Å; I368-W398 HydrophobicContact CG1-CZ3 4.21Å; C389-W398 HydrophobicContact CB-CE3 4.23Å; C389-W398 VanDerWaalsContact SG-CZ3 3.59Å; R390-W398 WeakPolarHBondContact O-CA 3.4Å; Y391-W398 AromaticContact CD2-CD2 3.87Å; Y391-W398 HydrophobicContact CD2-CD2 3.87Å; Y391-W398 AromaticContact CD2-CE2 3.55Å; Y391-W398 HydrophobicContact CD2-CE3 4.49Å; Y391-W398 HydrophobicContact CD2-CG 4.16Å; Y391-W398 AromaticContact CD2-CZ2 3.93Å; Y391-W398 HydrophobicContact CD2-CZ2 3.93Å; Y391-W398 AromaticContact CD2-NE1 3.65Å; Y391-W398 HydrophobicContact CG-CD2 4.36Å; Y391-W398 HydrophobicContact CG-CH2 4.3Å; Y391-W398 HydrophobicContact CG-CZ2 4.11Å
399	I	95.2	Very high	95.5	Very high	43 Å²	43	43.6 Å²	43.6	22%	0.221	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	141.5	162.7	64.8	170.5	0	0	0	110.4	P297 Y298 C389 R390 L401	P297-I399 HydrophobicContact CB-CD1 4.37Å; Y298-I399 HydrophobicContact CE1-CD1 4.42Å; C389-I399 WeakPolarHBondContact CA-O 3.34Å; C389-I399 WeakPolarHBondContact CB-O 3.45Å; R390-I399 HydrophobicContact CB-CD1 4.5Å; R390-I399 HydrophobicContact CB-CG1 3.95Å; R390-I399 PolarHBondContact N-O 2.87Å; R390-I399 PolarHBondContact O-N 3.08Å; I399-L401 HydrophobicContact CD1-CD2 3.64Å; I399-L401 HydrophobicContact CG1-CD2 4.04Å; I399-L401 HydrophobicContact CG1-CG 4.45Å
400	H	95.4	Very high	95.5	Very high	123 Å²	123	43.7 Å²	43.7	57%	0.569	21%	0.208	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-80	134.9	165.7	-70.7	-81.6	0	0	0	108.8
401	L	96.2	Very high	95.5	Very high	10 Å²	10	43.7 Å²	43.7	5%	0.052	21%	0.209	C	C	.	.			trans	-109.6	176.1	176.8	-65	-179.2	0	0	0	109.4	Y298 Y367 F388 R390 I399 N403 Y438	Y298-L401 HydrophobicContact CD1-CD2 3.85Å; Y298-L401 HydrophobicContact CE1-CD2 3.78Å; Y367-L401 HydrophobicContact CD1-CD1 3.85Å; Y367-L401 HydrophobicContact CE1-CD1 3.56Å; F388-L401 HydrophobicContact CD1-CB 3.55Å; F388-L401 HydrophobicContact CD1-CD1 3.73Å; F388-L401 HydrophobicContact CD1-CG 4.28Å; F388-L401 HydrophobicContact CE1-CB 4.18Å; F388-L401 HydrophobicContact CE1-CD1 3.52Å; F388-L401 HydrophobicContact CG-CB 4.32Å; F388-L401 HydrophobicContact CZ-CD1 4.26Å; F388-L401 PolarHBondContact O-N 2.9Å; R390-L401 HydrophobicContact CB-CD1 3.75Å; R390-L401 HydrophobicContact CB-CG 4.27Å; I399-L401 HydrophobicContact CD1-CD2 3.64Å; I399-L401 HydrophobicContact CG1-CD2 4.04Å; I399-L401 HydrophobicContact CG1-CG 4.45Å; L401-N403 PolarHBondContact O-N 3.32Å; L401-Y438 HydrophobicContact CD1-CE1 4.29Å
402	N	96.6	Very high	95.5	Very high	59 Å²	59	44 Å²	44	32%	0.316	21%	0.211	S	C	.	.	P	Polyproline II helix	trans	-62.4	127.6	171.1	-78.4	20.8	0	0	0	109.4	N443 Q444 W445	N402-N443 VanDerWaalsContact CB-O 3.31Å; N402-N443 WeakPolarHBondContact CB-O 3.48Å; N402-N443 PolarHBondContact N-OD1 3.07Å; N402-N443 PolarHBondContact ND2-O 2.85Å; N402-N443 PolarHBondContact OD1-ND2 3.34Å; N402-Q444 PolarHBondContact ND2-NE2 3.01Å; N402-Q444 PolarHBondContact ND2-OE1 2.57Å; N402-W445 VanDerWaalsContact O-CD1 3.28Å; N402-W445 PolarHBondContact O-NE1 3.21Å
403	N	97.4	Very high	95.7	Very high	85 Å²	85	44.7 Å²	44.7	46%	0.455	21%	0.214	S	C	.	.	P	Polyproline II helix	trans	-61.6	153.2	177.3	-68.5	-29.2	0	0	0	110.8	S386 N387 F388 L401	S386-N403 CarbonylContact O-C 3.54Å; S386-N403 WeakPolarHBondContact O-CA 3.29Å; S386-N403 VanDerWaalsContact O-CB 3.31Å; S386-N403 WeakPolarHBondContact O-CB 3.48Å; N387-N403 WeakPolarHBondContact CA-OD1 3.2Å; F388-N403 PolarHBondContact N-OD1 2.97Å; L401-N403 PolarHBondContact O-N 3.32Å
404	M	97.9	Very high	95.9	Very high	6 Å²	6	45 Å²	45	3%	0.03	22%	0.216	C	C	.	.	P	Polyproline II helix	trans	-55.4	147.4	170.3	-68.6	-177.3	-59	0	0	110.8	A369 S386 Q406 R408 F411 A422 W445	A369-M404 HydrophobicContact CB-CE 4.39Å; A369-M404 HydrophobicContact CB-SD 4.17Å; S386-M404 VanDerWaalsContact CB-O 3.25Å; S386-M404 WeakPolarHBondContact CB-O 3.19Å; S386-M404 PolarHBondContact O-N 3.48Å; M404-Q406 VanDerWaalsContact CB-O 3.23Å; M404-Q406 WeakPolarHBondContact CB-O 3.31Å; M404-Q406 PolarHBondContact O-N 3.12Å; M404-R408 HydrophobicContact CE-CB 4.15Å; M404-R408 HydrophobicContact CE-CG 4.39Å; M404-F411 HydrophobicContact CE-CZ 4.1Å; M404-F411 HydrophobicContact SD-CE2 4.17Å; M404-F411 HydrophobicContact SD-CZ 4.24Å; M404-A422 HydrophobicContact SD-CB 3.89Å; M404-W445 HydrophobicContact CG-CD2 4.04Å; M404-W445 HydrophobicContact CG-CE3 4.37Å; M404-W445 HydrophobicContact CG-CH2 3.83Å; M404-W445 HydrophobicContact CG-CZ2 3.44Å; M404-W445 VanDerWaalsContact CG-CZ2 3.44Å; M404-W445 HydrophobicContact CG-CZ3 4.28Å; M404-W445 HydrophobicContact SD-CH2 4.21Å; M404-W445 HydrophobicContact SD-CZ2 4.3Å
405	I	98.1	Very high	96.2	Very high	88 Å²	88	45.8 Å²	45.8	45%	0.451	22%	0.224	S	C	.	.	S	Bend	trans	-61.5	-39.6	174.1	-57.7	170.7	0	0	0	109	E436 W445 M447	I405-E436 WeakPolarHBondContact CB-OE2 3.49Å; I405-E436 PolarHBondContact N-OE2 2.87Å; I405-W445 HydrophobicContact CD1-CB 4.07Å; I405-W445 HydrophobicContact CG1-CB 3.87Å; I405-M447 HydrophobicContact CB-SD 4.3Å; I405-M447 HydrophobicContact CD1-CG 3.86Å; I405-M447 HydrophobicContact CD1-SD 3.74Å; I405-M447 HydrophobicContact CG2-SD 4.17Å
406	Q	96.9	Very high	96.4	Very high	58 Å²	58	45 Å²	45	27%	0.271	22%	0.221	S	C	.	.	S	Bend	trans	-106	141.8	176.2	-63.1	-64.4	-23.5	0	0	111.9	M404 R408 E436	M404-Q406 VanDerWaalsContact CB-O 3.23Å; M404-Q406 WeakPolarHBondContact CB-O 3.31Å; M404-Q406 PolarHBondContact O-N 3.12Å; Q406-R408 HydrophobicContact CB-CG 4.27Å; Q406-E436 WeakPolarHBondContact CB-OE1 3.39Å; Q406-E436 PolarHBondContact N-OE1 2.82Å
407	R	96.4	Very high	96.4	Very high	139 Å²	139	48.3 Å²	48.3	53%	0.525	24%	0.239	S	C	.	.			trans	-69.7	136.7	162.9	-69.2	168.4	177.7	-88.1	-3	108.6	A384 V385 N427	A384-R407 HydrophobicContact CB-CB 4.12Å; A384-R407 WeakPolarHBondContact O-CB 3.43Å; A384-R407 WeakPolarHBondContact O-CD 3.35Å; A384-R407 PolarHBondContact O-NH1 2.82Å; V385-R407 WeakPolarHBondContact O-CA 3.46Å; R407-N427 HydrophobicContact CB-CB 4.19Å; R407-N427 VanDerWaalsContact O-CB 3.3Å; R407-N427 WeakPolarHBondContact O-CB 3.5Å; R407-N427 PolarHBondContact O-ND2 3.47Å; R407-N427 VanDerWaalsContact O-ND2 3.16Å
408	R	96.1	Very high	96.4	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	24%	0.235	C	C	.	.			trans	-147	130.1	-176.3	-59.3	-179	-171.1	-89	-4.2	112.8	G371 V385 M404 Q406 F411 G424 S434 E436	G371-R408 PolarHBondContact N-O 3.23Å; V385-R408 PolarHBondContact O-N 2.91Å; M404-R408 HydrophobicContact CE-CB 4.15Å; M404-R408 HydrophobicContact CE-CG 4.39Å; Q406-R408 HydrophobicContact CB-CG 4.27Å; R408-F411 HydrophobicContact CB-CB 4.05Å; R408-F411 HydrophobicContact CB-CD1 3.48Å; R408-F411 VanDerWaalsContact CB-CD1 3.48Å; R408-F411 HydrophobicContact CB-CD2 4.32Å; R408-F411 HydrophobicContact CB-CE1 3.92Å; R408-F411 HydrophobicContact CB-CG 3.71Å; R408-F411 HydrophobicContact CB-CZ 4.5Å; R408-F411 HydrophobicContact CG-CG 4.47Å; R408-F411 WeakPolarHBondContact O-CE1 3.41Å; R408-G424 PolarHBondContact NH1-O 2.91Å; R408-S434 PolarHBondContact NH1-O 3.08Å; R408-S434 PolarHBondContact NH1-OG 2.96Å; R408-S434 PolarHBondContact NH2-OG 2.79Å; R408-E436 IonicContact CZ-OE1 3.8Å; R408-E436 IonicContact NE-OE1 2.86Å; R408-E436 PolarHBondContact NE-OE1 3.08Å; R408-E436 IonicContact NH2-OE1 3.8Å; R408-E436 PolarHBondContact NH2-OE1 3.08Å
409	T	95.2	Very high	96.4	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	24%	0.238	C	C	.	.	B	Isolated β-bridge	trans	-123.1	161.1	155.6	-173.9	0	0	0	0	110.3	N356 E372 A384 F411 G425 R426	N356-T409 WeakPolarHBondContact CB-OG1 3.42Å; E372-T409 HydrophobicContact CG-CG2 3.89Å; E372-T409 WeakPolarHBondContact OE1-CB 3.34Å; E372-T409 WeakPolarHBondContact OE1-CG2 3.34Å; E372-T409 PolarHBondContact OE1-OG1 2.83Å; A384-T409 HydrophobicContact CB-CG2 4.28Å; T409-F411 PolarHBondContact O-N 2.7Å; T409-F411 VanDerWaalsContact O-N 3.16Å; T409-G425 CarbonylContact O-C 3.59Å; T409-G425 WeakPolarHBondContact O-CA 3.43Å; T409-R426 HydrophobicContact CG2-CG 3.66Å; T409-R426 PolarHBondContact N-O 3.09Å; T409-R426 PolarHBondContact O-N 3.26Å
410	H	95.3	Very high	96.6	Very high	17 Å²	17	44.4 Å²	44.4	8%	0.079	23%	0.227	C	C	.	.	S	Bend	trans	49.9	37.4	-176.6	-57.3	-47.1	0	0	0	113.7	N356 G425 C456 C457 W504	N356-H410 PolarHBondContact ND2-CE1 2.72Å; H410-G425 WeakPolarHBondContact O-CA 3.49Å; H410-C456 HydrophobicContact CB-CB 4.48Å; H410-C457 HydrophobicContact CB-CB 4.43Å; H410-C457 PolarHBondContact O-N 3.32Å; H410-W504 AromaticContact CD2-NE1 3.82Å; H410-W504 AromaticContact CE1-CD1 3.81Å; H410-W504 AromaticContact CE1-NE1 3.33Å; H410-W504 PolarHBondContact CE1-NE1 2.99Å; H410-W504 VanDerWaalsContact CE1-NE1 3.33Å; H410-W504 AromaticContact CG-NE1 3.97Å; H410-W504 AromaticContact ND1-CD1 3.88Å; H410-W504 AromaticContact ND1-NE1 3.67Å; H410-W504 AromaticContact NE2-NE1 3.38Å; H410-W504 PolarHBondContact NE2-NE1 2.95Å
411	F	97.7	Very high	96.7	Very high	9 Å²	9	38.8 Å²	38.8	4%	0.039	20%	0.201	C	C	.	.			trans	-98.8	-175.6	173.4	73.7	-75.5	0	0	0	109.4	C358 A369 M404 R408 T409 L413 A422 I423 G424	C358-F411 HydrophobicContact CB-CE1 4.26Å; C358-F411 HydrophobicContact CB-CE2 3.99Å; C358-F411 HydrophobicContact CB-CZ 3.75Å; C358-F411 PolarHBondContact SG-O 2.98Å; A369-F411 HydrophobicContact CB-CE2 4.38Å; A369-F411 HydrophobicContact CB-CZ 3.88Å; A369-F411 VanDerWaalsContact O-CZ 3.29Å; A369-F411 WeakPolarHBondContact O-CZ 3.43Å; M404-F411 HydrophobicContact CE-CZ 4.1Å; M404-F411 HydrophobicContact SD-CE2 4.17Å; M404-F411 HydrophobicContact SD-CZ 4.24Å; R408-F411 HydrophobicContact CB-CB 4.05Å; R408-F411 HydrophobicContact CB-CD1 3.48Å; R408-F411 VanDerWaalsContact CB-CD1 3.48Å; R408-F411 HydrophobicContact CB-CD2 4.32Å; R408-F411 HydrophobicContact CB-CE1 3.92Å; R408-F411 HydrophobicContact CB-CG 3.71Å; R408-F411 HydrophobicContact CB-CZ 4.5Å; R408-F411 HydrophobicContact CG-CG 4.47Å; R408-F411 WeakPolarHBondContact O-CE1 3.41Å; T409-F411 PolarHBondContact O-N 2.7Å; T409-F411 VanDerWaalsContact O-N 3.16Å; F411-L413 HydrophobicContact CE2-CB 4.24Å; F411-A422 HydrophobicContact CD2-CB 4.03Å; F411-A422 HydrophobicContact CE2-CB 3.87Å; F411-I423 WeakPolarHBondContact CB-O 3.28Å; F411-G424 WeakPolarHBondContact CB-O 3.44Å
412	S	97.8	Very high	96.8	Very high	8 Å²	8	38.3 Å²	38.3	6%	0.056	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	147.2	170.1	59.5	0	0	0	0	111.8	A422 I423 H458 S460	S412-A422 WeakPolarHBondContact O-CA 3.45Å; S412-I423 PolarHBondContact N-O 2.84Å; S412-I423 PolarHBondContact O-N 3.34Å; S412-H458 PolarHBondContact OG-CD2 3.01Å; S412-H458 PolarHBondContact OG-NE2 2.91Å; S412-S460 WeakPolarHBondContact CB-OG 3.16Å; S412-S460 PolarHBondContact OG-OG 3.41Å; S412-S460 VanDerWaalsContact OG-OG 3.09Å
413	L	98.1	Very high	96.9	Very high	19 Å²	19	35.5 Å²	35.5	10%	0.099	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	127.7	178.4	-172.6	71.8	0	0	0	109.2	C358 A360 A369 F411 L420 F421 A422 W445	C358-L413 HydrophobicContact CB-CB 3.4Å; C358-L413 VanDerWaalsContact CB-CB 3.4Å; C358-L413 HydrophobicContact CB-CD2 4.19Å; C358-L413 HydrophobicContact CB-CG 4.44Å; A360-L413 HydrophobicContact CB-CD2 3.73Å; A360-L413 HydrophobicContact CB-CG 4.12Å; A369-L413 HydrophobicContact CB-CD1 4.48Å; A369-L413 HydrophobicContact CB-CD2 3.97Å; F411-L413 HydrophobicContact CE2-CB 4.24Å; L413-L420 HydrophobicContact CD1-CB 4.16Å; L413-L420 HydrophobicContact CD1-CD2 4.41Å; L413-L420 HydrophobicContact CD2-CD2 4.1Å; L413-L420 HydrophobicContact CG-CD2 4.35Å; L413-F421 WeakPolarHBondContact CA-O 3.19Å; L413-A422 HydrophobicContact CD1-CB 4.04Å; L413-W445 HydrophobicContact CD1-CH2 4.28Å
414	N	97.6	Very high	96.9	Very high	14 Å²	14	31.5 Å²	31.5	8%	0.075	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	144.6	-178.6	-53	-97.3	0	0	0	110.4	L420 F421 S460 V462 I467	N414-L420 CarbonylContact O-C 3.56Å; N414-L420 WeakPolarHBondContact O-CA 3.31Å; N414-F421 PolarHBondContact N-O 3.31Å; N414-F421 PolarHBondContact O-N 3.08Å; N414-S460 PolarHBondContact ND2-OG 3.41Å; N414-S460 PolarHBondContact OD1-OG 2.84Å; N414-V462 HydrophobicContact CB-CG2 4.02Å; N414-I467 HydrophobicContact CB-CD1 4.41Å; N414-I467 HydrophobicContact CB-CG2 4.24Å
415	T	96.6	Very high	96.9	Very high	49 Å²	49	31.2 Å²	31.2	30%	0.301	16%	0.161	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	130.4	168.9	39.3	0	0	0	0	110.7	A360 L362 L419 L420	A360-T415 HydrophobicContact CB-CG2 3.86Å; L362-T415 HydrophobicContact CB-CG2 3.83Å; L362-T415 HydrophobicContact CD1-CG2 4.5Å; T415-L419 WeakPolarHBondContact CA-O 3.05Å; T415-L420 HydrophobicContact CG2-CD2 4.1Å; T415-L420 HydrophobicContact CG2-CG 3.85Å
416	F	95.9	Very high	96.7	Very high	38 Å²	38	30.3 Å²	30.3	17%	0.167	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152	134.6	174.6	-177.2	-112.4	0	0	0	110.5	G418 L419 F421 V462 G465 P487	F416-G418 VanDerWaalsContact C-N 3.27Å; F416-G418 PolarHBondContact O-N 3.31Å; F416-G418 VanDerWaalsContact O-N 3.13Å; F416-L419 PolarHBondContact N-O 2.89Å; F416-L419 WeakPolarHBondContact O-CB 3.25Å; F416-L419 PolarHBondContact O-N 2.7Å; F416-F421 HydrophobicContact CB-CD2 4.32Å; F416-F421 HydrophobicContact CB-CE2 4.02Å; F416-F421 HydrophobicContact CD1-CE2 4.49Å; F416-V462 HydrophobicContact CB-CG2 4.48Å; F416-V462 HydrophobicContact CD2-CG1 3.67Å; F416-V462 HydrophobicContact CE2-CG1 4.15Å; F416-V462 HydrophobicContact CG-CG1 4.43Å; F416-G465 WeakPolarHBondContact CZ-O 3.32Å; F416-P487 HydrophobicContact CD1-CB 4Å; F416-P487 HydrophobicContact CD1-CG 3.65Å; F416-P487 HydrophobicContact CE1-CB 3.91Å; F416-P487 HydrophobicContact CE1-CG 3.67Å
417	N	93.6	Very high	96.6	Very high	129 Å²	129	27.7 Å²	27.7	69%	0.69	14%	0.14	S	C	*	.	T	Hydrogen-bonded Turn	trans	44.3	44.2	178.8	-69.4	-2.1	0	0	0	115.1	L419	N417-L419 VanDerWaalsContact C-N 3.31Å; N417-L419 PolarHBondContact O-N 2.83Å
418	G	94.1	Very high	96.5	Very high	34 Å²	34	24.4 Å²	24.4	35%	0.351	14%	0.143	S	C	.	.	T	Hydrogen-bonded Turn	trans	79.8	6.1	178.6	0	0	0	0	0	115.5	F416 P440	F416-G418 VanDerWaalsContact C-N 3.27Å; F416-G418 PolarHBondContact O-N 3.31Å; F416-G418 VanDerWaalsContact O-N 3.13Å; G418-P440 WeakPolarHBondContact O-CD 3.39Å; G418-P440 WeakPolarHBondContact O-CG 3.14Å
419	L	96.7	Very high	96.3	Very high	48 Å²	48	31 Å²	31	25%	0.251	18%	0.178	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	160.2	-176.6	-55.1	176.1	0	0	0	111	T415 F416 N417 F421 V439	T415-L419 WeakPolarHBondContact CA-O 3.05Å; F416-L419 PolarHBondContact N-O 2.89Å; F416-L419 WeakPolarHBondContact O-CB 3.25Å; F416-L419 PolarHBondContact O-N 2.7Å; N417-L419 VanDerWaalsContact C-N 3.31Å; N417-L419 PolarHBondContact O-N 2.83Å; L419-F421 HydrophobicContact CB-CE2 3.82Å; L419-F421 HydrophobicContact CB-CZ 4.28Å; L419-F421 HydrophobicContact CD1-CZ 4.25Å; L419-V439 HydrophobicContact CD2-CB 4.26Å; L419-V439 HydrophobicContact CD2-CG1 4.25Å; L419-V439 HydrophobicContact CD2-CG2 4.01Å
420	L	98.3	Very high	96.2	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	129.9	171.9	-62.5	94.5	0	0	0	111.1	A360 L362 Y367 F388 L413 N414 T415 C437 Y438	A360-L420 HydrophobicContact CB-CD2 3.79Å; L362-L420 HydrophobicContact CD2-CD1 3.68Å; Y367-L420 HydrophobicContact CD1-CD1 4.35Å; Y367-L420 HydrophobicContact CD1-CD2 4.29Å; Y367-L420 HydrophobicContact CD2-CD2 4.23Å; Y367-L420 HydrophobicContact CE1-CD1 4.26Å; Y367-L420 HydrophobicContact CG-CD1 4.45Å; Y367-L420 HydrophobicContact CG-CD2 3.85Å; F388-L420 HydrophobicContact CZ-CD2 4.29Å; L413-L420 HydrophobicContact CD1-CB 4.16Å; L413-L420 HydrophobicContact CD1-CD2 4.41Å; L413-L420 HydrophobicContact CD2-CD2 4.1Å; L413-L420 HydrophobicContact CG-CD2 4.35Å; N414-L420 CarbonylContact O-C 3.56Å; N414-L420 WeakPolarHBondContact O-CA 3.31Å; T415-L420 HydrophobicContact CG2-CD2 4.1Å; T415-L420 HydrophobicContact CG2-CG 3.85Å; L420-C437 CarbonylContact O-C 3.53Å; L420-C437 VanDerWaalsContact O-CA 3.3Å; L420-C437 WeakPolarHBondContact O-CA 3.32Å; L420-Y438 HydrophobicContact CD1-CD1 3.8Å; L420-Y438 PolarHBondContact N-O 2.93Å; L420-Y438 PolarHBondContact O-N 3.45Å
421	F	98.6	Very high	96.2	Very high	5 Å²	5	34.3 Å²	34.3	2%	0.022	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	116.6	-179	-65.5	-96.3	0	0	0	110.5	L413 N414 F416 L419 I423 M435 E436 C437 I467 Y485 P487	L413-F421 WeakPolarHBondContact CA-O 3.19Å; N414-F421 PolarHBondContact N-O 3.31Å; N414-F421 PolarHBondContact O-N 3.08Å; F416-F421 HydrophobicContact CB-CD2 4.32Å; F416-F421 HydrophobicContact CB-CE2 4.02Å; F416-F421 HydrophobicContact CD1-CE2 4.49Å; L419-F421 HydrophobicContact CB-CE2 3.82Å; L419-F421 HydrophobicContact CB-CZ 4.28Å; L419-F421 HydrophobicContact CD1-CZ 4.25Å; F421-I423 HydrophobicContact CB-CG1 4.5Å; F421-M435 HydrophobicContact CD1-SD 4.27Å; F421-E436 WeakPolarHBondContact CA-O 3.45Å; F421-C437 HydrophobicContact CD1-CB 3.99Å; F421-C437 HydrophobicContact CE1-CB 3.9Å; F421-I467 HydrophobicContact CB-CD1 3.65Å; F421-I467 HydrophobicContact CD1-CD1 4.08Å; F421-I467 HydrophobicContact CD2-CD1 3.74Å; F421-I467 HydrophobicContact CE2-CD1 4.42Å; F421-I467 HydrophobicContact CG-CD1 3.55Å; F421-Y485 HydrophobicContact CD1-CE1 4.12Å; F421-Y485 AromaticContact CE1-CE1 3.82Å; F421-Y485 HydrophobicContact CE1-CE1 3.82Å; F421-P487 HydrophobicContact CZ-CB 4.29Å
422	A	98.6	Very high	96.1	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100	122.6	174.5	0	0	0	0	0	110	M404 F411 S412 L413 M435 E436 W445	M404-A422 HydrophobicContact SD-CB 3.89Å; F411-A422 HydrophobicContact CD2-CB 4.03Å; F411-A422 HydrophobicContact CE2-CB 3.87Å; S412-A422 WeakPolarHBondContact O-CA 3.45Å; L413-A422 HydrophobicContact CD1-CB 4.04Å; A422-M435 WeakPolarHBondContact O-CA 3.36Å; A422-E436 HydrophobicContact CB-CG 3.97Å; A422-E436 PolarHBondContact N-O 2.8Å; A422-E436 PolarHBondContact O-N 2.85Å; A422-W445 HydrophobicContact CB-CH2 4.09Å; A422-W445 HydrophobicContact CB-CZ3 3.82Å
423	I	98.5	Very high	96.1	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	123.7	-164.5	-49.2	-176.8	0	0	0	111.2	F411 S412 F421 M435 M451 H458 I467 V469 W492	F411-I423 WeakPolarHBondContact CB-O 3.28Å; S412-I423 PolarHBondContact N-O 2.84Å; S412-I423 PolarHBondContact O-N 3.34Å; F421-I423 HydrophobicContact CB-CG1 4.5Å; I423-M435 HydrophobicContact CD1-SD 3.98Å; I423-M435 HydrophobicContact CG1-CG 4.01Å; I423-M435 HydrophobicContact CG1-SD 3.8Å; I423-M451 HydrophobicContact CG2-CE 3.8Å; I423-M451 HydrophobicContact CG2-SD 4.02Å; I423-H458 PolarHBondContact O-CE1 2.84Å; I423-H458 PolarHBondContact O-NE2 3.26Å; I423-I467 HydrophobicContact CD1-CB 4.4Å; I423-I467 HydrophobicContact CD1-CD1 4.33Å; I423-I467 HydrophobicContact CD1-CG2 3.67Å; I423-V469 HydrophobicContact CD1-CG2 4.16Å; I423-V469 HydrophobicContact CG2-CG2 4.26Å; I423-W492 HydrophobicContact CD1-CH2 4.43Å; I423-W492 HydrophobicContact CG2-CH2 3.85Å; I423-W492 HydrophobicContact CG2-CZ2 4.28Å
424	G	97.9	Very high	96.1	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	21%	0.213	C	C	.	.			trans	57	-138.1	171.4	0	0	0	0	0	114.2	R408 F411 Q432 S434	R408-G424 PolarHBondContact NH1-O 2.91Å; F411-G424 WeakPolarHBondContact CB-O 3.44Å; G424-Q432 VanDerWaalsContact CA-O 3.3Å; G424-Q432 WeakPolarHBondContact CA-O 3.32Å; G424-S434 PolarHBondContact N-O 3.19Å
425	G	96.9	Very high	96.1	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	21%	0.21	C	C	.	.			trans	94.1	-156.2	-177.1	0	0	0	0	0	112.8	T409 H410 Q432 R455 C456	T409-G425 CarbonylContact O-C 3.59Å; T409-G425 WeakPolarHBondContact O-CA 3.43Å; H410-G425 WeakPolarHBondContact O-CA 3.49Å; G425-Q432 PolarHBondContact O-N 3.22Å; G425-R455 PolarHBondContact N-O 2.72Å; G425-C456 VanDerWaalsContact C-CB 3.49Å; G425-C456 WeakPolarHBondContact O-CB 3.4Å
426	R	94.9	Very high	96.2	Very high	69 Å²	69	32.6 Å²	32.6	26%	0.26	20%	0.195	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	157.7	178.4	70	-175.9	-58.9	-169	3.2	112.8	T409 G430 C456	T409-R426 HydrophobicContact CG2-CG 3.66Å; T409-R426 PolarHBondContact N-O 3.09Å; T409-R426 PolarHBondContact O-N 3.26Å; R426-G430 CarbonylContact C-O 3.44Å; R426-G430 WeakPolarHBondContact CA-O 3.34Å; R426-G430 WeakPolarHBondContact CB-O 3.34Å; R426-C456 HydrophobicContact CB-CB 4.05Å; R426-C456 HydrophobicContact CG-CB 4.43Å
427	N	94.8	Very high	96.3	Very high	3 Å²	3	30.9 Å²	30.9	2%	0.016	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.7	-169.1	173.4	62.1	16.2	0	0	0	110.3	A381 A384 R407 D429 G430 Q432	A381-N427 WeakPolarHBondContact CB-O 3.5Å; A381-N427 CarbonylContact O-C 3.33Å; A381-N427 WeakPolarHBondContact O-CA 3.35Å; A384-N427 HydrophobicContact CB-CB 3.92Å; R407-N427 HydrophobicContact CB-CB 4.19Å; R407-N427 VanDerWaalsContact O-CB 3.3Å; R407-N427 WeakPolarHBondContact O-CB 3.5Å; R407-N427 PolarHBondContact O-ND2 3.47Å; R407-N427 VanDerWaalsContact O-ND2 3.16Å; N427-D429 PolarHBondContact O-N 2.83Å; N427-D429 VanDerWaalsContact O-N 3.14Å; N427-D429 PolarHBondContact OD1-N 3.07Å; N427-D429 VanDerWaalsContact OD1-N 3.16Å; N427-G430 PolarHBondContact N-O 2.75Å; N427-G430 PolarHBondContact O-N 2.87Å; N427-G430 PolarHBondContact OD1-O 2.92Å; N427-Q432 PolarHBondContact ND2-NE2 3.03Å; N427-Q432 PolarHBondContact OD1-NE2 3.12Å
428	A	92.7	Very high	96.6	Very high	71 Å²	71	24.8 Å²	24.8	59%	0.587	16%	0.156	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.7	-29.7	-176.9	0	0	0	0	0	113.6	A381 G430	A381-A428 PolarHBondContact O-N 3.49Å; A428-G430 VanDerWaalsContact C-N 3.32Å
429	D	91.9	Very high	96.6	Very high	139 Å²	139	24.4 Å²	24.4	74%	0.743	15%	0.146	S	C	*	.	T	Hydrogen-bonded Turn	trans	-83.7	-8.4	-179.7	-48.7	-54.3	0	0	0	112.9	N427	N427-D429 PolarHBondContact O-N 2.83Å; N427-D429 VanDerWaalsContact O-N 3.14Å; N427-D429 PolarHBondContact OD1-N 3.07Å; N427-D429 VanDerWaalsContact OD1-N 3.16Å
430	G	92.8	Very high	96.5	Very high	26 Å²	26	22.3 Å²	22.3	27%	0.268	14%	0.136	S	C	.	.	E	Extended strand (participates in β ladder)	trans	122	-149.5	175.7	0	0	0	0	0	114	R426 N427 A428	R426-G430 CarbonylContact C-O 3.44Å; R426-G430 WeakPolarHBondContact CA-O 3.34Å; R426-G430 WeakPolarHBondContact CB-O 3.34Å; N427-G430 PolarHBondContact N-O 2.75Å; N427-G430 PolarHBondContact O-N 2.87Å; N427-G430 PolarHBondContact OD1-O 2.92Å; A428-G430 VanDerWaalsContact C-N 3.32Å
431	V	95.6	Very high	96.2	Very high	59 Å²	59	24.8 Å²	24.8	36%	0.358	15%	0.153	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	136.4	-179.9	-176.3	0	0	0	0	109.5	P454 R455 C456	V431-P454 HydrophobicContact CB-CB 4.24Å; V431-P454 HydrophobicContact CG1-CB 3.87Å; V431-P454 WeakPolarHBondContact O-CB 3.26Å; V431-R455 VanDerWaalsContact CG1-C 3.47Å; V431-C456 HydrophobicContact CG1-CB 4.1Å
432	Q	96.7	Very high	95.9	Very high	31 Å²	31	27.2 Å²	27.2	15%	0.145	17%	0.171	C	C	.	.			trans	-104.8	135	-170.1	-64.9	-62.7	-31.7	0	0	112	G424 G425 N427 R455	G424-Q432 VanDerWaalsContact CA-O 3.3Å; G424-Q432 WeakPolarHBondContact CA-O 3.32Å; G425-Q432 PolarHBondContact O-N 3.22Å; N427-Q432 PolarHBondContact ND2-NE2 3.03Å; N427-Q432 PolarHBondContact OD1-NE2 3.12Å; Q432-R455 PolarHBondContact O-N 3.48Å
433	A	97.7	Very high	95.8	Very high	18 Å²	18	27.9 Å²	27.9	15%	0.149	17%	0.174	C	C	.	.			trans	-93.6	-18.1	166.6	0	0	0	0	0	112.9	A450 M451 P454	A433-A450 HydrophobicContact CB-CB 4.39Å; A433-A450 WeakPolarHBondContact O-CA 3.45Å; A433-M451 WeakPolarHBondContact CB-O 3.26Å; A433-M451 PolarHBondContact O-N 2.78Å; A433-P454 HydrophobicContact CB-CB 4.12Å; A433-P454 HydrophobicContact CB-CG 3.85Å
434	S	98.1	Very high	95.7	Very high	14 Å²	14	32.2 Å²	32.2	10%	0.098	19%	0.194	C	C	.	.			trans	-63.8	145.8	-172.8	57.8	0	0	0	0	112.6	R408 G424	R408-S434 PolarHBondContact NH1-O 3.08Å; R408-S434 PolarHBondContact NH1-OG 2.96Å; R408-S434 PolarHBondContact NH2-OG 2.79Å; G424-S434 PolarHBondContact N-O 3.19Å
435	M	98.1	Very high	95.8	Very high	0 Å²	0	33 Å²	33	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	144.3	169.7	174.7	172.1	66.9	0	0	109.3	F421 A422 I423 K448 A449 Y485 W492	F421-M435 HydrophobicContact CD1-SD 4.27Å; A422-M435 WeakPolarHBondContact O-CA 3.36Å; I423-M435 HydrophobicContact CD1-SD 3.98Å; I423-M435 HydrophobicContact CG1-CG 4.01Å; I423-M435 HydrophobicContact CG1-SD 3.8Å; M435-K448 HydrophobicContact CB-CB 4.48Å; M435-K448 HydrophobicContact CE-CB 3.51Å; M435-K448 HydrophobicContact CE-CG 4.4Å; M435-K448 HydrophobicContact CG-CB 4.18Å; M435-K448 PolarHBondContact O-N 2.89Å; M435-A449 WeakPolarHBondContact CE-O 3.42Å; M435-Y485 HydrophobicContact CE-CD1 3.67Å; M435-Y485 HydrophobicContact CE-CD2 3.39Å; M435-Y485 HydrophobicContact CE-CE1 3.57Å; M435-Y485 HydrophobicContact CE-CE2 3.26Å; M435-Y485 HydrophobicContact CE-CG 3.58Å; M435-Y485 HydrophobicContact SD-CD1 4.05Å; M435-Y485 HydrophobicContact SD-CE1 4.27Å; M435-Y485 HydrophobicContact SD-CG 4.2Å; M435-W492 HydrophobicContact CE-CZ2 3.8Å; M435-W492 HydrophobicContact SD-CH2 4.36Å; M435-W492 HydrophobicContact SD-CZ2 3.75Å
436	E	98.3	Very high	95.8	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	148.1	177.7	58.3	-169.2	123.2	0	0	111.2	I405 Q406 R408 F421 A422 W445 Q446 M447	I405-E436 WeakPolarHBondContact CB-OE2 3.49Å; I405-E436 PolarHBondContact N-OE2 2.87Å; Q406-E436 WeakPolarHBondContact CB-OE1 3.39Å; Q406-E436 PolarHBondContact N-OE1 2.82Å; R408-E436 IonicContact CZ-OE1 3.8Å; R408-E436 IonicContact NE-OE1 2.86Å; R408-E436 PolarHBondContact NE-OE1 3.08Å; R408-E436 IonicContact NH2-OE1 3.8Å; R408-E436 PolarHBondContact NH2-OE1 3.08Å; F421-E436 WeakPolarHBondContact CA-O 3.45Å; A422-E436 HydrophobicContact CB-CG 3.97Å; A422-E436 PolarHBondContact N-O 2.8Å; A422-E436 PolarHBondContact O-N 2.85Å; E436-W445 HydrophobicContact CB-CE3 4.03Å; E436-W445 HydrophobicContact CG-CD2 4.48Å; E436-W445 HydrophobicContact CG-CE3 3.61Å; E436-W445 HydrophobicContact CG-CZ3 3.93Å; E436-Q446 CarbonylContact C-O 3.59Å; E436-Q446 VanDerWaalsContact CA-O 3.28Å; E436-Q446 WeakPolarHBondContact CA-O 3.26Å; E436-M447 HydrophobicContact CB-SD 4.3Å
437	C	98.3	Very high	96	Very high	2 Å²	2	38.4 Å²	38.4	1%	0.014	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	121.7	-173.9	178.8	0	0	0	0	109.8	L420 F421 W445 Q446 K448	L420-C437 CarbonylContact O-C 3.53Å; L420-C437 VanDerWaalsContact O-CA 3.3Å; L420-C437 WeakPolarHBondContact O-CA 3.32Å; F421-C437 HydrophobicContact CD1-CB 3.99Å; F421-C437 HydrophobicContact CE1-CB 3.9Å; C437-W445 CarbonylContact O-C 3.57Å; C437-W445 WeakPolarHBondContact O-CA 3.48Å; C437-Q446 PolarHBondContact N-O 3.16Å; C437-Q446 PolarHBondContact O-N 3.24Å; C437-K448 HydrophobicContact CB-CD 4.49Å; C437-K448 HydrophobicContact CB-CG 3.72Å
438	Y	98.3	Very high	96.1	Very high	2 Å²	2	41 Å²	41	1%	0.008	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	132	172.7	-179.5	-102.7	0	0	0	110.9	Y367 F388 L401 L420 P440 N443 Q444 W445	Y367-Y438 HydrophobicContact CE1-CE1 4.12Å; F388-Y438 HydrophobicContact CD1-CD2 4.13Å; F388-Y438 HydrophobicContact CD1-CE2 4.09Å; F388-Y438 AromaticContact CE1-CD1 3.72Å; F388-Y438 HydrophobicContact CE1-CD1 3.72Å; F388-Y438 AromaticContact CE1-CD2 3.58Å; F388-Y438 HydrophobicContact CE1-CD2 3.58Å; F388-Y438 AromaticContact CE1-CE1 3.78Å; F388-Y438 HydrophobicContact CE1-CE1 3.78Å; F388-Y438 AromaticContact CE1-CE2 3.67Å; F388-Y438 HydrophobicContact CE1-CE2 3.67Å; F388-Y438 AromaticContact CE1-CG 3.6Å; F388-Y438 HydrophobicContact CE1-CG 3.6Å; F388-Y438 AromaticContact CE1-CZ 3.77Å; F388-Y438 HydrophobicContact CZ-CD1 4.09Å; F388-Y438 HydrophobicContact CZ-CE1 4.4Å; F388-Y438 HydrophobicContact CZ-CG 4.14Å; L401-Y438 HydrophobicContact CD1-CE1 4.29Å; L420-Y438 HydrophobicContact CD1-CD1 3.8Å; L420-Y438 PolarHBondContact N-O 2.93Å; L420-Y438 PolarHBondContact O-N 3.45Å; Y438-P440 HydrophobicContact CD1-CG 3.97Å; Y438-P440 VanDerWaalsContact CE1-CA 3.44Å; Y438-P440 HydrophobicContact CE1-CB 3.96Å; Y438-P440 HydrophobicContact CE1-CG 3.83Å; Y438-N443 WeakPolarHBondContact OH-CA 3.28Å; Y438-N443 PolarHBondContact OH-OD1 3.46Å; Y438-N443 VanDerWaalsContact OH-OD1 3.08Å; Y438-Q444 WeakPolarHBondContact CA-O 3.26Å; Y438-Q444 WeakPolarHBondContact CD2-O 3.45Å; Y438-W445 AromaticContact CD2-CD1 3.89Å; Y438-W445 HydrophobicContact CD2-CD2 4.11Å; Y438-W445 AromaticContact CD2-CE2 3.78Å; Y438-W445 HydrophobicContact CD2-CG 4.19Å; Y438-W445 HydrophobicContact CD2-CZ2 4.3Å; Y438-W445 AromaticContact CD2-NE1 3.61Å; Y438-W445 HydrophobicContact CG-CD2 4.41Å; Y438-W445 HydrophobicContact CG-CZ2 4.26Å
439	V	96.1	Very high	96.4	Very high	25 Å²	25	39.2 Å²	39.2	15%	0.152	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	105.4	176.6	-177.9	0	0	0	0	108.5	L419 S441 S442 N443 Q444	L419-V439 HydrophobicContact CD2-CB 4.26Å; L419-V439 HydrophobicContact CD2-CG1 4.25Å; L419-V439 HydrophobicContact CD2-CG2 4.01Å; V439-S441 PolarHBondContact O-N 3.49Å; V439-S442 PolarHBondContact O-N 2.94Å; V439-S442 PolarHBondContact O-OG 3.38Å; V439-N443 PolarHBondContact O-N 2.96Å; V439-N443 VanDerWaalsContact O-N 3.12Å; V439-Q444 PolarHBondContact N-O 3.3Å
440	P	94.6	Very high	96.7	Very high	5 Å²	5	35.1 Å²	35.1	3%	0.032	21%	0.209	C	C	.	.	G	3₁₀ helix	trans	-57.1	-43.7	-173.6	-27.9	34.9	0	0	0	114.7	Y298 N301 L362 G418 Y438 S442 N443	Y298-P440 CarbonylContact O-C 3.51Å; N301-P440 HydrophobicContact CB-CB 3.76Å; N301-P440 HydrophobicContact CB-CG 4.34Å; L362-P440 HydrophobicContact CD2-CG 4.04Å; G418-P440 WeakPolarHBondContact O-CD 3.39Å; G418-P440 WeakPolarHBondContact O-CG 3.14Å; Y438-P440 HydrophobicContact CD1-CG 3.97Å; Y438-P440 VanDerWaalsContact CE1-CA 3.44Å; Y438-P440 HydrophobicContact CE1-CB 3.96Å; Y438-P440 HydrophobicContact CE1-CG 3.83Å; P440-S442 PolarHBondContact O-N 3.13Å; P440-N443 PolarHBondContact O-N 2.93Å; P440-N443 VanDerWaalsContact O-N 3.08Å
441	S	91	Very high	96.9	Very high	52 Å²	52	34.3 Å²	34.3	36%	0.364	20%	0.198	S	C	.	.	G	3₁₀ helix	trans	-61.4	-26.1	-175.7	54.2	0	0	0	0	114.5	V439	V439-S441 PolarHBondContact O-N 3.49Å
442	S	93.3	Very high	96.8	Very high	56 Å²	56	40 Å²	40	39%	0.392	22%	0.221	S	C	.	.	G	3₁₀ helix	trans	-103.7	-10.5	176.2	61.5	0	0	0	0	113.8	V439 P440 Q444	V439-S442 PolarHBondContact O-N 2.94Å; V439-S442 PolarHBondContact O-OG 3.38Å; P440-S442 PolarHBondContact O-N 3.13Å; S442-Q444 VanDerWaalsContact C-N 3.32Å; S442-Q444 PolarHBondContact O-N 2.85Å
443	N	95.8	Very high	96.7	Very high	14 Å²	14	41.1 Å²	41.1	8%	0.075	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	49.6	50.9	-168.3	178.3	37.7	0	0	0	111.8	Y298 N402 Y438 V439 P440	Y298-N443 HydrophobicContact CD1-CB 3.74Å; Y298-N443 HydrophobicContact CE1-CB 4.26Å; Y298-N443 HydrophobicContact CG-CB 3.99Å; N402-N443 VanDerWaalsContact CB-O 3.31Å; N402-N443 WeakPolarHBondContact CB-O 3.48Å; N402-N443 PolarHBondContact N-OD1 3.07Å; N402-N443 PolarHBondContact ND2-O 2.85Å; N402-N443 PolarHBondContact OD1-ND2 3.34Å; Y438-N443 WeakPolarHBondContact OH-CA 3.28Å; Y438-N443 PolarHBondContact OH-OD1 3.46Å; Y438-N443 VanDerWaalsContact OH-OD1 3.08Å; V439-N443 PolarHBondContact O-N 2.96Å; V439-N443 VanDerWaalsContact O-N 3.12Å; P440-N443 PolarHBondContact O-N 2.93Å; P440-N443 VanDerWaalsContact O-N 3.08Å
444	Q	96.8	Very high	96.7	Very high	90 Å²	90	42.7 Å²	42.7	42%	0.421	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-134	148.8	178.1	-61.1	-58.2	-21	0	0	112.5	N402 Y438 V439 S442	N402-Q444 PolarHBondContact ND2-NE2 3.01Å; N402-Q444 PolarHBondContact ND2-OE1 2.57Å; Y438-Q444 WeakPolarHBondContact CA-O 3.26Å; Y438-Q444 WeakPolarHBondContact CD2-O 3.45Å; V439-Q444 PolarHBondContact N-O 3.3Å; S442-Q444 VanDerWaalsContact C-N 3.32Å; S442-Q444 PolarHBondContact O-N 2.85Å
445	W	98.4	Very high	96.6	Very high	16 Å²	16	42.5 Å²	42.5	6%	0.061	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93	143.6	164.6	-69.4	91.4	0	0	0	110.2	F388 N402 M404 I405 L413 A422 E436 C437 Y438	F388-W445 AromaticContact CD1-CE2 3.97Å; F388-W445 AromaticContact CD1-CZ2 3.73Å; F388-W445 HydrophobicContact CD1-CZ2 3.73Å; F388-W445 AromaticContact CD1-NE1 3.66Å; F388-W445 AromaticContact CD2-CZ2 3.89Å; F388-W445 HydrophobicContact CD2-CZ2 3.89Å; F388-W445 AromaticContact CE1-CZ2 3.68Å; F388-W445 HydrophobicContact CE1-CZ2 3.68Å; F388-W445 HydrophobicContact CE2-CH2 4.41Å; F388-W445 AromaticContact CE2-CZ2 3.85Å; F388-W445 HydrophobicContact CE2-CZ2 3.85Å; F388-W445 AromaticContact CG-CZ2 3.84Å; F388-W445 HydrophobicContact CG-CZ2 3.84Å; F388-W445 HydrophobicContact CZ-CH2 4.34Å; F388-W445 AromaticContact CZ-CZ2 3.73Å; F388-W445 HydrophobicContact CZ-CZ2 3.73Å; N402-W445 VanDerWaalsContact O-CD1 3.28Å; N402-W445 PolarHBondContact O-NE1 3.21Å; M404-W445 HydrophobicContact CG-CD2 4.04Å; M404-W445 HydrophobicContact CG-CE3 4.37Å; M404-W445 HydrophobicContact CG-CH2 3.83Å; M404-W445 HydrophobicContact CG-CZ2 3.44Å; M404-W445 VanDerWaalsContact CG-CZ2 3.44Å; M404-W445 HydrophobicContact CG-CZ3 4.28Å; M404-W445 HydrophobicContact SD-CH2 4.21Å; M404-W445 HydrophobicContact SD-CZ2 4.3Å; I405-W445 HydrophobicContact CD1-CB 4.07Å; I405-W445 HydrophobicContact CG1-CB 3.87Å; L413-W445 HydrophobicContact CD1-CH2 4.28Å; A422-W445 HydrophobicContact CB-CH2 4.09Å; A422-W445 HydrophobicContact CB-CZ3 3.82Å; E436-W445 HydrophobicContact CB-CE3 4.03Å; E436-W445 HydrophobicContact CG-CD2 4.48Å; E436-W445 HydrophobicContact CG-CE3 3.61Å; E436-W445 HydrophobicContact CG-CZ3 3.93Å; C437-W445 CarbonylContact O-C 3.57Å; C437-W445 WeakPolarHBondContact O-CA 3.48Å; Y438-W445 AromaticContact CD2-CD1 3.89Å; Y438-W445 HydrophobicContact CD2-CD2 4.11Å; Y438-W445 AromaticContact CD2-CE2 3.78Å; Y438-W445 HydrophobicContact CD2-CG 4.19Å; Y438-W445 HydrophobicContact CD2-CZ2 4.3Å; Y438-W445 AromaticContact CD2-NE1 3.61Å; Y438-W445 HydrophobicContact CG-CD2 4.41Å; Y438-W445 HydrophobicContact CG-CZ2 4.26Å
446	Q	98.1	Very high	96.6	Very high	94 Å²	94	42.6 Å²	42.6	44%	0.439	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	135.9	176.9	-60.6	-179.3	8.8	0	0	109.3	E436 C437	E436-Q446 CarbonylContact C-O 3.59Å; E436-Q446 VanDerWaalsContact CA-O 3.28Å; E436-Q446 WeakPolarHBondContact CA-O 3.26Å; C437-Q446 PolarHBondContact N-O 3.16Å; C437-Q446 PolarHBondContact O-N 3.24Å
447	M	98.2	Very high	96.5	Very high	90 Å²	90	42.8 Å²	42.8	44%	0.443	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.8	143.2	173.5	-63.8	-60.4	-60.9	0	0	110.5	I405 E436	I405-M447 HydrophobicContact CB-SD 4.3Å; I405-M447 HydrophobicContact CD1-CG 3.86Å; I405-M447 HydrophobicContact CD1-SD 3.74Å; I405-M447 HydrophobicContact CG2-SD 4.17Å; E436-M447 HydrophobicContact CB-SD 4.3Å
448	K	98.2	Very high	96.5	Very high	57 Å²	57	43.2 Å²	43.2	25%	0.248	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	172.1	173.4	-70.9	-57	-163.4	175.1	0	110.5	M435 C437 A450 D490	M435-K448 HydrophobicContact CB-CB 4.48Å; M435-K448 HydrophobicContact CE-CB 3.51Å; M435-K448 HydrophobicContact CE-CG 4.4Å; M435-K448 HydrophobicContact CG-CB 4.18Å; M435-K448 PolarHBondContact O-N 2.89Å; C437-K448 HydrophobicContact CB-CD 4.49Å; C437-K448 HydrophobicContact CB-CG 3.72Å; K448-A450 PolarHBondContact O-N 3.04Å; K448-D490 WeakPolarHBondContact CD-OD2 3.37Å; K448-D490 IonicContact NZ-OD2 3.18Å; K448-D490 PolarHBondContact NZ-OD2 2.88Å
449	A	98.1	Very high	96.5	Very high	33 Å²	33	43.5 Å²	43.5	27%	0.273	24%	0.242	S	C	.	.	P	Polyproline II helix	trans	-51.8	126.3	176.4	0	0	0	0	0	110.5	M435 D490 W492	M435-A449 WeakPolarHBondContact CE-O 3.42Å; A449-D490 WeakPolarHBondContact CB-O 3.3Å; A449-D490 VanDerWaalsContact CB-OD1 3.27Å; A449-D490 WeakPolarHBondContact CB-OD1 3.44Å; A449-D490 PolarHBondContact N-OD1 2.88Å; A449-W492 PolarHBondContact O-NE1 3.01Å
450	A	98	Very high	96.6	Very high	54 Å²	54	42.9 Å²	42.9	45%	0.446	24%	0.239	S	C	.	.	P	Polyproline II helix	trans	-73.5	153.7	177	0	0	0	0	0	110.5	A433 K448 W492	A433-A450 HydrophobicContact CB-CB 4.39Å; A433-A450 WeakPolarHBondContact O-CA 3.45Å; K448-A450 PolarHBondContact O-N 3.04Å; A450-W492 VanDerWaalsContact O-CD1 3.22Å; A450-W492 PolarHBondContact O-NE1 2.82Å
451	M	97.4	Very high	96.7	Very high	8 Å²	8	43.1 Å²	43.1	4%	0.039	24%	0.24	C	C	.	.	P	Polyproline II helix	trans	-62.9	148.1	166.5	-67	176.6	-72.7	0	0	109.7	I423 A433 V453 R455 V469 W492	I423-M451 HydrophobicContact CG2-CE 3.8Å; I423-M451 HydrophobicContact CG2-SD 4.02Å; A433-M451 WeakPolarHBondContact CB-O 3.26Å; A433-M451 PolarHBondContact O-N 2.78Å; M451-V453 VanDerWaalsContact C-N 3.27Å; M451-V453 PolarHBondContact O-N 3.06Å; M451-R455 HydrophobicContact CE-CG 3.64Å; M451-R455 HydrophobicContact SD-CG 3.71Å; M451-V469 HydrophobicContact SD-CG1 4.48Å; M451-W492 HydrophobicContact CG-CD2 3.92Å; M451-W492 HydrophobicContact CG-CE3 4Å; M451-W492 HydrophobicContact CG-CH2 3.52Å; M451-W492 HydrophobicContact CG-CZ2 3.4Å; M451-W492 VanDerWaalsContact CG-CZ2 3.4Å; M451-W492 HydrophobicContact CG-CZ3 3.82Å; M451-W492 HydrophobicContact SD-CH2 3.95Å; M451-W492 HydrophobicContact SD-CZ2 4.36Å; M451-W492 HydrophobicContact SD-CZ3 4.23Å
452	E	94.2	Very high	97	Very high	180 Å²	180	42.4 Å²	42.4	84%	0.841	23%	0.234	S	C	*	.	S	Bend	trans	-62.4	-36.4	174.8	-174.4	175.3	172	0	0	112.2
453	V	94.8	Very high	97.1	Very high	54 Å²	54	40.2 Å²	40.2	33%	0.327	22%	0.218	S	C	.	.	S	Bend	trans	-118.9	122.8	-178.7	-171	0	0	0	0	110.8	M451 I474	M451-V453 VanDerWaalsContact C-N 3.27Å; M451-V453 PolarHBondContact O-N 3.06Å; V453-I474 HydrophobicContact CG1-CG2 3.46Å; V453-I474 VanDerWaalsContact CG1-CG2 3.46Å
454	P	96.6	Very high	97	Very high	51 Å²	51	44.4 Å²	44.4	33%	0.331	24%	0.24	S	C	.	.			trans	-57.1	137.7	174.7	-22.2	30.3	0	0	0	112.9	V431 A433	V431-P454 HydrophobicContact CB-CB 4.24Å; V431-P454 HydrophobicContact CG1-CB 3.87Å; V431-P454 WeakPolarHBondContact O-CB 3.26Å; A433-P454 HydrophobicContact CB-CB 4.12Å; A433-P454 HydrophobicContact CB-CG 3.85Å
455	R	96.8	Very high	96.9	Very high	9 Å²	9	41.9 Å²	41.9	3%	0.034	24%	0.239	C	C	.	.			trans	-149	139.9	178.1	62.4	176.4	76.1	-162	14.4	113.6	G425 V431 Q432 M451 H458 G471 I474 A481	G425-R455 PolarHBondContact N-O 2.72Å; V431-R455 VanDerWaalsContact CG1-C 3.47Å; Q432-R455 PolarHBondContact O-N 3.48Å; M451-R455 HydrophobicContact CE-CG 3.64Å; M451-R455 HydrophobicContact SD-CG 3.71Å; R455-H458 PolarHBondContact O-ND1 3.28Å; R455-G471 PolarHBondContact NH1-O 2.93Å; R455-I474 HydrophobicContact CB-CD1 3.89Å; R455-I474 HydrophobicContact CB-CG1 3.68Å; R455-A481 PolarHBondContact NH1-O 3.22Å
456	C	97.1	Very high	96.8	Very high	2 Å²	2	43.7 Å²	43.7	1%	0.014	25%	0.247	C	C	.	.	B	Isolated β-bridge	trans	-123	170.4	170.7	64.1	0	0	0	0	110.5	H410 G425 R426 V431 H458 G472 Y473	H410-C456 HydrophobicContact CB-CB 4.48Å; G425-C456 VanDerWaalsContact C-CB 3.49Å; G425-C456 WeakPolarHBondContact O-CB 3.4Å; R426-C456 HydrophobicContact CB-CB 4.05Å; R426-C456 HydrophobicContact CG-CB 4.43Å; V431-C456 HydrophobicContact CG1-CB 4.1Å; C456-H458 PolarHBondContact O-N 2.94Å; C456-G472 WeakPolarHBondContact O-CA 3.38Å; C456-Y473 PolarHBondContact N-O 2.99Å; C456-Y473 PolarHBondContact O-N 2.82Å
457	C	96.8	Very high	96.8	Very high	5 Å²	5	39.2 Å²	39.2	3%	0.034	23%	0.226	C	C	.	.	S	Bend	trans	57.1	23.8	177	-43.3	0	0	0	0	113.2	H410 G503 W504	H410-C457 HydrophobicContact CB-CB 4.43Å; H410-C457 PolarHBondContact O-N 3.32Å; C457-G503 CarbonylContact O-C 3.42Å; C457-G503 WeakPolarHBondContact O-CA 3.35Å; C457-W504 HydrophobicContact CB-CD2 3.71Å; C457-W504 HydrophobicContact CB-CE3 4.19Å; C457-W504 HydrophobicContact CB-CG 3.94Å; C457-W504 HydrophobicContact CB-CZ2 4.27Å; C457-W504 PolarHBondContact O-N 2.96Å; C457-W504 WeakPolarHBondContact SG-CZ2 3.48Å; C457-W504 PolarHBondContact SG-NE1 3.49Å
458	H	98.2	Very high	96.8	Very high	10 Å²	10	35.2 Å²	35.2	5%	0.046	21%	0.207	C	C	.	.			trans	-86.8	171.4	173.6	60.9	-93.3	0	0	0	109.5	S412 I423 R455 C456 V469	S412-H458 PolarHBondContact OG-CD2 3.01Å; S412-H458 PolarHBondContact OG-NE2 2.91Å; I423-H458 PolarHBondContact O-CE1 2.84Å; I423-H458 PolarHBondContact O-NE2 3.26Å; R455-H458 PolarHBondContact O-ND1 3.28Å; C456-H458 PolarHBondContact O-N 2.94Å; H458-V469 HydrophobicContact CB-CG1 4.27Å
459	A	97.9	Very high	96.8	Very high	9 Å²	9	32.5 Å²	32.5	7%	0.074	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	161.9	165	0	0	0	0	0	109.8	S470 H505 A507	A459-S470 PolarHBondContact N-O 2.91Å; A459-S470 PolarHBondContact O-N 3.09Å; A459-H505 VanDerWaalsContact CB-CD2 3.42Å; A459-H505 WeakPolarHBondContact CB-CD2 3.3Å; A459-H505 WeakPolarHBondContact CB-NE2 3.38Å; A459-H505 PolarHBondContact N-NE2 3.43Å; A459-A507 HydrophobicContact CB-CB 3.57Å
460	S	97.8	Very high	96.8	Very high	12 Å²	12	31.1 Å²	31.1	8%	0.084	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	161.2	177.2	66	0	0	0	0	111.3	S412 N414 L468	S412-S460 WeakPolarHBondContact CB-OG 3.16Å; S412-S460 PolarHBondContact OG-OG 3.41Å; S412-S460 VanDerWaalsContact OG-OG 3.09Å; N414-S460 PolarHBondContact ND2-OG 3.41Å; N414-S460 PolarHBondContact OD1-OG 2.84Å; S460-L468 CarbonylContact C-O 3.53Å; S460-L468 WeakPolarHBondContact CA-O 3.44Å; S460-L468 WeakPolarHBondContact CB-O 3.28Å
461	S	97.2	Very high	96.8	Very high	9 Å²	9	28.5 Å²	28.5	6%	0.063	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.9	158.9	170	56.6	0	0	0	0	110.1	L468 T509 A514	S461-L468 PolarHBondContact N-O 3.47Å; S461-L468 PolarHBondContact O-N 2.98Å; S461-T509 WeakPolarHBondContact CB-OG1 3.23Å; S461-T509 PolarHBondContact OG-OG1 2.98Å; S461-A514 WeakPolarHBondContact OG-CB 3.31Å
462	V	96.9	Very high	96.8	Very high	38 Å²	38	28.1 Å²	28.1	23%	0.23	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	122.6	179.5	-178.4	0	0	0	0	109.3	N414 F416 K466 I467 T509	N414-V462 HydrophobicContact CB-CG2 4.02Å; F416-V462 HydrophobicContact CB-CG2 4.48Å; F416-V462 HydrophobicContact CD2-CG1 3.67Å; F416-V462 HydrophobicContact CE2-CG1 4.15Å; F416-V462 HydrophobicContact CG-CG1 4.43Å; V462-K466 CarbonylContact C-O 3.51Å; V462-K466 WeakPolarHBondContact CA-O 3.38Å; V462-I467 HydrophobicContact CG2-CG1 4.4Å; V462-T509 WeakPolarHBondContact O-CB 3.41Å; V462-T509 VanDerWaalsContact O-CG2 3.25Å; V462-T509 WeakPolarHBondContact O-CG2 3.37Å; V462-T509 PolarHBondContact O-OG1 3.37Å
463	T	95.8	Very high	96.9	Very high	9 Å²	9	22.7 Å²	22.7	6%	0.055	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.5	141.4	177	175.1	0	0	0	0	108.8	G465 K466 L468 D512 A514 Y537 P539	T463-G465 VanDerWaalsContact C-N 3.27Å; T463-G465 PolarHBondContact O-N 3.43Å; T463-K466 PolarHBondContact N-O 3.03Å; T463-K466 PolarHBondContact O-N 2.82Å; T463-L468 HydrophobicContact CG2-CB 3.88Å; T463-L468 HydrophobicContact CG2-CD2 4.13Å; T463-D512 PolarHBondContact OG1-O 2.84Å; T463-A514 HydrophobicContact CG2-CB 3.93Å; T463-Y537 HydrophobicContact CG2-CD1 4.39Å; T463-P539 WeakPolarHBondContact OG1-CG 3.36Å
464	D	93.4	Very high	96.9	Very high	102 Å²	102	21 Å²	21	55%	0.545	12%	0.12	S	C	.	.	T	Hydrogen-bonded Turn	trans	49.3	44.2	-178.5	-172.8	41.1	0	0	0	114	K466 P539	D464-K466 PolarHBondContact O-N 3.24Å; D464-K466 VanDerWaalsContact O-N 3.08Å; D464-P539 HydrophobicContact CB-CB 3.52Å; D464-P539 HydrophobicContact CB-CG 3.94Å
465	G	94.6	Very high	96.7	Very high	37 Å²	37	25.2 Å²	25.2	38%	0.381	14%	0.14	S	C	.	.	T	Hydrogen-bonded Turn	trans	67.5	6.1	-178.9	0	0	0	0	0	115.7	F416 T463 P487	F416-G465 WeakPolarHBondContact CZ-O 3.32Å; T463-G465 VanDerWaalsContact C-N 3.27Å; T463-G465 PolarHBondContact O-N 3.43Å; G465-P487 WeakPolarHBondContact O-CD 3.31Å
466	K	97	Very high	96.4	Very high	55 Å²	55	31.3 Å²	31.3	24%	0.239	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	155.3	-174.8	-63	179	-155.9	-131	0	110.9	V462 T463 D464 A484 Y485 D486	V462-K466 CarbonylContact C-O 3.51Å; V462-K466 WeakPolarHBondContact CA-O 3.38Å; T463-K466 PolarHBondContact N-O 3.03Å; T463-K466 PolarHBondContact O-N 2.82Å; D464-K466 PolarHBondContact O-N 3.24Å; D464-K466 VanDerWaalsContact O-N 3.08Å; K466-A484 HydrophobicContact CB-CB 4.45Å; K466-Y485 WeakPolarHBondContact CA-O 3.29Å; K466-Y485 WeakPolarHBondContact CB-O 3.46Å; K466-D486 HydrophobicContact CD-CB 4.4Å; K466-D486 WeakPolarHBondContact CE-OD2 3.47Å; K466-D486 HydrophobicContact CG-CB 4.41Å; K466-D486 IonicContact NZ-OD2 3.99Å; K466-D486 PolarHBondContact NZ-OD2 3Å
467	I	98.2	Very high	96.3	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	104	176.2	-45.2	-178.5	0	0	0	108.3	N414 F421 I423 V462 A484 Y485 P487	N414-I467 HydrophobicContact CB-CD1 4.41Å; N414-I467 HydrophobicContact CB-CG2 4.24Å; F421-I467 HydrophobicContact CB-CD1 3.65Å; F421-I467 HydrophobicContact CD1-CD1 4.08Å; F421-I467 HydrophobicContact CD2-CD1 3.74Å; F421-I467 HydrophobicContact CE2-CD1 4.42Å; F421-I467 HydrophobicContact CG-CD1 3.55Å; I423-I467 HydrophobicContact CD1-CB 4.4Å; I423-I467 HydrophobicContact CD1-CD1 4.33Å; I423-I467 HydrophobicContact CD1-CG2 3.67Å; V462-I467 HydrophobicContact CG2-CG1 4.4Å; I467-A484 WeakPolarHBondContact O-CA 3.36Å; I467-Y485 HydrophobicContact CD1-CD1 4.06Å; I467-Y485 HydrophobicContact CG1-CD1 4.29Å; I467-Y485 PolarHBondContact N-O 2.84Å; I467-Y485 PolarHBondContact O-N 3.31Å; I467-P487 HydrophobicContact CG1-CG 4.45Å
468	L	98.4	Very high	96.3	Very high	6 Å²	6	35.4 Å²	35.4	3%	0.031	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	124.3	177.8	-170.1	73.6	0	0	0	109.3	S460 S461 T463 V482 A484 K495 A514 Y537 W544	S460-L468 CarbonylContact C-O 3.53Å; S460-L468 WeakPolarHBondContact CA-O 3.44Å; S460-L468 WeakPolarHBondContact CB-O 3.28Å; S461-L468 PolarHBondContact N-O 3.47Å; S461-L468 PolarHBondContact O-N 2.98Å; T463-L468 HydrophobicContact CG2-CB 3.88Å; T463-L468 HydrophobicContact CG2-CD2 4.13Å; L468-V482 HydrophobicContact CD1-CG1 3.5Å; L468-V482 HydrophobicContact CD2-CG1 4.45Å; L468-V482 HydrophobicContact CG-CG1 3.9Å; L468-A484 HydrophobicContact CD1-CB 4.12Å; L468-K495 HydrophobicContact CD1-CB 4.48Å; L468-K495 HydrophobicContact CD1-CG 4.08Å; L468-A514 HydrophobicContact CD2-CB 3.92Å; L468-Y537 HydrophobicContact CD1-CE1 4.33Å; L468-Y537 HydrophobicContact CD2-CD1 3.62Å; L468-Y537 HydrophobicContact CD2-CE1 4.1Å; L468-Y537 HydrophobicContact CD2-CG 3.92Å; L468-W544 HydrophobicContact CD2-CH2 4.26Å; L468-W544 HydrophobicContact CD2-CZ2 4.25Å
469	V	98.4	Very high	96.3	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	122.1	179	179.7	0	0	0	0	108.9	I423 M451 H458 V482 C483 W492	I423-V469 HydrophobicContact CD1-CG2 4.16Å; I423-V469 HydrophobicContact CG2-CG2 4.26Å; M451-V469 HydrophobicContact SD-CG1 4.48Å; H458-V469 HydrophobicContact CB-CG1 4.27Å; V469-V482 WeakPolarHBondContact O-CA 3.45Å; V469-V482 WeakPolarHBondContact O-CG1 3.14Å; V469-C483 PolarHBondContact N-O 2.88Å; V469-C483 PolarHBondContact O-N 3.03Å; V469-C483 VanDerWaalsContact O-N 3.07Å; V469-W492 HydrophobicContact CB-CZ3 4.35Å; V469-W492 HydrophobicContact CG2-CH2 3.9Å; V469-W492 HydrophobicContact CG2-CZ3 3.79Å
470	S	98.3	Very high	96.3	Very high	3 Å²	3	42 Å²	42	2%	0.021	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	135.2	-172	69.6	0	0	0	0	112.9	A459 H505 V516	A459-S470 PolarHBondContact N-O 2.91Å; A459-S470 PolarHBondContact O-N 3.09Å; S470-H505 PolarHBondContact O-CE1 3.15Å; S470-H505 PolarHBondContact O-NE2 2.66Å; S470-H505 PolarHBondContact OG-NE2 3.25Å; S470-H505 VanDerWaalsContact OG-NE2 3.08Å; S470-V516 WeakPolarHBondContact OG-CG2 3.13Å
471	G	97.8	Very high	96.3	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	23%	0.233	C	C	.	.			trans	55.3	-135.7	172.8	0	0	0	0	0	113.9	R455 S479 A481	R455-G471 PolarHBondContact NH1-O 2.93Å; G471-S479 VanDerWaalsContact CA-O 3.26Å; G471-S479 WeakPolarHBondContact CA-O 3.3Å; G471-A481 PolarHBondContact N-O 3.29Å
472	G	97.6	Very high	96.4	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	23%	0.231	C	C	.	.			trans	99.6	-170.7	-176.9	0	0	0	0	0	113	C456 S479 R502	C456-G472 WeakPolarHBondContact O-CA 3.38Å; G472-S479 PolarHBondContact O-N 2.74Å; G472-R502 WeakPolarHBondContact CA-O 3.26Å; G472-R502 PolarHBondContact N-O 3.31Å
473	Y	95.3	Very high	96.4	Very high	66 Å²	66	41 Å²	41	26%	0.259	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	117.6	177.1	-159.2	-113.7	0	0	0	109.3	C456 N476 A477 Y478	C456-Y473 PolarHBondContact N-O 2.99Å; C456-Y473 PolarHBondContact O-N 2.82Å; Y473-N476 HydrophobicContact CE1-CB 4.49Å; Y473-N476 VanDerWaalsContact OH-C 3.29Å; Y473-N476 WeakPolarHBondContact OH-CA 3.33Å; Y473-N476 PolarHBondContact OH-O 2.76Å; Y473-A477 WeakPolarHBondContact CA-O 3.47Å; Y473-A477 WeakPolarHBondContact CD2-O 3.23Å; Y473-Y478 HydrophobicContact CD2-CD1 4.44Å
474	I	95.3	Very high	96.5	Very high	17 Å²	17	40.8 Å²	40.8	9%	0.087	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136	131	-171.7	-56.2	-171	0	0	0	108	V453 R455 N476 A477	V453-I474 HydrophobicContact CG1-CG2 3.46Å; V453-I474 VanDerWaalsContact CG1-CG2 3.46Å; R455-I474 HydrophobicContact CB-CD1 3.89Å; R455-I474 HydrophobicContact CB-CG1 3.68Å; I474-N476 PolarHBondContact O-N 3.12Å; I474-N476 VanDerWaalsContact O-N 3.13Å; I474-A477 PolarHBondContact N-O 2.85Å; I474-A477 PolarHBondContact O-N 2.83Å; I474-A477 VanDerWaalsContact O-O 3.08Å
475	N	92.9	Very high	96.7	Very high	140 Å²	140	36 Å²	36	75%	0.749	20%	0.195	S	C	*	.	T	Hydrogen-bonded Turn	trans	47.9	42.4	178.4	-61	-17.1	0	0	0	113.5	A477	N475-A477 VanDerWaalsContact C-N 3.27Å; N475-A477 PolarHBondContact O-N 2.94Å
476	N	90.2	Very high	96.9	Very high	138 Å²	138	35.4 Å²	35.4	74%	0.738	18%	0.183	S	C	*	.	T	Hydrogen-bonded Turn	trans	63.1	20.1	-176.5	-56	-36.2	0	0	0	116.2	Y473 I474	Y473-N476 HydrophobicContact CE1-CB 4.49Å; Y473-N476 VanDerWaalsContact OH-C 3.29Å; Y473-N476 WeakPolarHBondContact OH-CA 3.33Å; Y473-N476 PolarHBondContact OH-O 2.76Å; I474-N476 PolarHBondContact O-N 3.12Å; I474-N476 VanDerWaalsContact O-N 3.13Å
477	A	95.1	Very high	96.9	Very high	52 Å²	52	34.3 Å²	34.3	43%	0.43	18%	0.181	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	153.9	175.8	0	0	0	0	0	112.6	Y473 I474 N475	Y473-A477 WeakPolarHBondContact CA-O 3.47Å; Y473-A477 WeakPolarHBondContact CD2-O 3.23Å; I474-A477 PolarHBondContact N-O 2.85Å; I474-A477 PolarHBondContact O-N 2.83Å; I474-A477 VanDerWaalsContact O-O 3.08Å; N475-A477 VanDerWaalsContact C-N 3.27Å; N475-A477 PolarHBondContact O-N 2.94Å
478	Y	97.1	Very high	96.7	Very high	40 Å²	40	39.1 Å²	39.1	16%	0.157	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67	132	164.9	-64.1	-82.1	0	0	0	109.4	Y473 P501 W504 S520 L522 R528	Y473-Y478 HydrophobicContact CD2-CD1 4.44Å; Y478-P501 WeakPolarHBondContact O-CB 3.41Å; Y478-W504 AromaticContact CE1-CE3 3.96Å; Y478-W504 HydrophobicContact CE1-CE3 3.96Å; Y478-W504 AromaticContact CE1-CZ3 3.65Å; Y478-W504 HydrophobicContact CE1-CZ3 3.65Å; Y478-S520 WeakPolarHBondContact CD1-O 3.26Å; Y478-S520 VanDerWaalsContact CE1-O 3.23Å; Y478-S520 WeakPolarHBondContact CE1-O 3.46Å; Y478-L522 HydrophobicContact CD2-CB 4.07Å; Y478-L522 HydrophobicContact CE2-CB 4.26Å; Y478-R528 WeakPolarHBondContact OH-CD 3.32Å; Y478-R528 WeakPolarHBondContact OH-CG 3.46Å; Y478-R528 PolarHBondContact OH-NE 2.91Å
479	S	97.6	Very high	96.7	Very high	20 Å²	20	42.7 Å²	42.7	14%	0.14	24%	0.238	C	C	.	.	B	Isolated β-bridge	trans	-109.2	149.7	-174.6	-169	0	0	0	0	112.5	G471 G472 A481 P501 R502	G471-S479 VanDerWaalsContact CA-O 3.26Å; G471-S479 WeakPolarHBondContact CA-O 3.3Å; G472-S479 PolarHBondContact O-N 2.74Å; S479-A481 VanDerWaalsContact OG-CB 3.29Å; S479-A481 WeakPolarHBondContact OG-CB 3.49Å; S479-A481 PolarHBondContact OG-N 3.12Å; S479-P501 WeakPolarHBondContact O-CA 3.45Å; S479-R502 PolarHBondContact O-N 2.87Å; S479-R502 VanDerWaalsContact O-N 3.09Å
480	R	97.8	Very high	96.6	Very high	139 Å²	139	45.3 Å²	45.3	53%	0.525	25%	0.251	S	S	.	.			trans	-97.5	-6.5	165.8	66	173.6	67.5	148.8	0.9	113.2	V482 S497 L498	R480-V482 PolarHBondContact O-N 2.81Å; R480-S497 WeakPolarHBondContact O-CA 3.28Å; R480-S497 WeakPolarHBondContact O-CB 3.47Å; R480-L498 HydrophobicContact CB-CB 4.23Å; R480-L498 WeakPolarHBondContact CB-O 3.41Å; R480-L498 PolarHBondContact O-N 2.84Å
481	A	97.9	Very high	96.6	Very high	30 Å²	30	48.5 Å²	48.5	25%	0.248	27%	0.271	C	S	.	.			trans	-66.4	132.8	-170.5	0	0	0	0	0	111.5	R455 G471 S479	R455-A481 PolarHBondContact NH1-O 3.22Å; G471-A481 PolarHBondContact N-O 3.29Å; S479-A481 VanDerWaalsContact OG-CB 3.29Å; S479-A481 WeakPolarHBondContact OG-CB 3.49Å; S479-A481 PolarHBondContact OG-N 3.12Å
482	V	98.1	Very high	96.7	Very high	1 Å²	1	51 Å²	51	1%	0.006	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	132.6	178.5	-174.8	0	0	0	0	108	L468 V469 R480 K495 S496 L498 W544	L468-V482 HydrophobicContact CD1-CG1 3.5Å; L468-V482 HydrophobicContact CD2-CG1 4.45Å; L468-V482 HydrophobicContact CG-CG1 3.9Å; V469-V482 WeakPolarHBondContact O-CA 3.45Å; V469-V482 WeakPolarHBondContact O-CG1 3.14Å; R480-V482 PolarHBondContact O-N 2.81Å; V482-K495 HydrophobicContact CB-CB 4.17Å; V482-K495 HydrophobicContact CG1-CB 3.94Å; V482-K495 PolarHBondContact O-N 2.78Å; V482-S496 WeakPolarHBondContact CB-O 3.43Å; V482-S496 WeakPolarHBondContact CG2-O 3.47Å; V482-L498 HydrophobicContact CG2-CG 3.95Å; V482-W544 HydrophobicContact CG1-CZ2 4.15Å; V482-W544 HydrophobicContact CG2-CZ2 3.89Å
483	C	97.8	Very high	96.7	Very high	5 Å²	5	56.1 Å²	56.1	3%	0.034	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	157.4	170.7	56.5	0	0	0	0	109.6	V469 W492 Q493	V469-C483 PolarHBondContact N-O 2.88Å; V469-C483 PolarHBondContact O-N 3.03Å; V469-C483 VanDerWaalsContact O-N 3.07Å; C483-W492 HydrophobicContact CB-CE3 4.13Å; C483-Q493 CarbonylContact C-O 3.41Å; C483-Q493 WeakPolarHBondContact CA-O 3.48Å
484	A	98	Very high	96.8	Very high	5 Å²	5	58.8 Å²	58.8	4%	0.041	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	132.9	174.5	0	0	0	0	0	109.6	K466 I467 L468 W492 Q493 K495	K466-A484 HydrophobicContact CB-CB 4.45Å; I467-A484 WeakPolarHBondContact O-CA 3.36Å; L468-A484 HydrophobicContact CD1-CB 4.12Å; A484-W492 CarbonylContact O-C 3.5Å; A484-W492 WeakPolarHBondContact O-CA 3.29Å; A484-Q493 PolarHBondContact N-O 2.74Å; A484-Q493 PolarHBondContact O-N 3.19Å; A484-K495 HydrophobicContact CB-CD 4.48Å; A484-K495 HydrophobicContact CB-CG 3.99Å
485	Y	98.5	Very high	96.8	Very high	1 Å²	1	60.6 Å²	60.6	0%	0.004	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	134	167.3	171.9	-111.9	0	0	0	110	F421 M435 K466 I467 P487 D490 T491 W492	F421-Y485 HydrophobicContact CD1-CE1 4.12Å; F421-Y485 AromaticContact CE1-CE1 3.82Å; F421-Y485 HydrophobicContact CE1-CE1 3.82Å; M435-Y485 HydrophobicContact CE-CD1 3.67Å; M435-Y485 HydrophobicContact CE-CD2 3.39Å; M435-Y485 HydrophobicContact CE-CE1 3.57Å; M435-Y485 HydrophobicContact CE-CE2 3.26Å; M435-Y485 HydrophobicContact CE-CG 3.58Å; M435-Y485 HydrophobicContact SD-CD1 4.05Å; M435-Y485 HydrophobicContact SD-CE1 4.27Å; M435-Y485 HydrophobicContact SD-CG 4.2Å; K466-Y485 WeakPolarHBondContact CA-O 3.29Å; K466-Y485 WeakPolarHBondContact CB-O 3.46Å; I467-Y485 HydrophobicContact CD1-CD1 4.06Å; I467-Y485 HydrophobicContact CG1-CD1 4.29Å; I467-Y485 PolarHBondContact N-O 2.84Å; I467-Y485 PolarHBondContact O-N 3.31Å; Y485-P487 HydrophobicContact CD1-CB 4.44Å; Y485-P487 HydrophobicContact CD1-CG 3.83Å; Y485-P487 HydrophobicContact CE1-CB 3.79Å; Y485-P487 HydrophobicContact CE1-CG 3.66Å; Y485-P487 WeakPolarHBondContact O-CD 3.41Å; Y485-D490 PolarHBondContact OH-OD1 3.27Å; Y485-T491 WeakPolarHBondContact CA-O 3.38Å; Y485-T491 VanDerWaalsContact CD2-O 3.32Å; Y485-T491 WeakPolarHBondContact CD2-O 3.4Å; Y485-W492 HydrophobicContact CD2-CD2 4.32Å; Y485-W492 AromaticContact CD2-CE2 3.93Å; Y485-W492 HydrophobicContact CD2-CZ2 4.32Å; Y485-W492 AromaticContact CD2-NE1 3.87Å; Y485-W492 HydrophobicContact CG-CZ2 4.24Å
486	D	97.6	Very high	97	Very high	26 Å²	26	56.1 Å²	56.1	14%	0.139	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	105.9	173.7	-169.2	-44.1	0	0	0	110.1	K466 S488 T489 D490 T491	K466-D486 HydrophobicContact CD-CB 4.4Å; K466-D486 WeakPolarHBondContact CE-OD2 3.47Å; K466-D486 HydrophobicContact CG-CB 4.41Å; K466-D486 IonicContact NZ-OD2 3.99Å; K466-D486 PolarHBondContact NZ-OD2 3Å; D486-S488 PolarHBondContact O-N 3.23Å; D486-S488 WeakPolarHBondContact OD1-CB 3.34Å; D486-S488 PolarHBondContact OD1-N 2.99Å; D486-S488 PolarHBondContact OD1-OG 2.94Å; D486-T489 WeakPolarHBondContact CB-OG1 3.49Å; D486-T489 PolarHBondContact O-N 3.28Å; D486-T489 PolarHBondContact OD1-N 3.44Å; D486-D490 PolarHBondContact O-N 2.93Å; D486-T491 PolarHBondContact N-O 3.04Å
487	P	96.2	Very high	97.4	Very high	31 Å²	31	52.4 Å²	52.4	20%	0.201	30%	0.295	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.4	-14.3	-177.5	-20.4	33.8	0	0	0	114.7	F416 F421 G465 I467 Y485	F416-P487 HydrophobicContact CD1-CB 4Å; F416-P487 HydrophobicContact CD1-CG 3.65Å; F416-P487 HydrophobicContact CE1-CB 3.91Å; F416-P487 HydrophobicContact CE1-CG 3.67Å; F421-P487 HydrophobicContact CZ-CB 4.29Å; G465-P487 WeakPolarHBondContact O-CD 3.31Å; I467-P487 HydrophobicContact CG1-CG 4.45Å; Y485-P487 HydrophobicContact CD1-CB 4.44Å; Y485-P487 HydrophobicContact CD1-CG 3.83Å; Y485-P487 HydrophobicContact CE1-CB 3.79Å; Y485-P487 HydrophobicContact CE1-CG 3.66Å; Y485-P487 WeakPolarHBondContact O-CD 3.41Å
488	S	96.1	Very high	97.6	Very high	102 Å²	102	50.1 Å²	50.1	71%	0.713	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.6	-27.6	179.8	74.3	0	0	0	0	112.9	D486	D486-S488 PolarHBondContact O-N 3.23Å; D486-S488 WeakPolarHBondContact OD1-CB 3.34Å; D486-S488 PolarHBondContact OD1-N 2.99Å; D486-S488 PolarHBondContact OD1-OG 2.94Å
489	T	97.1	Very high	97.5	Very high	81 Å²	81	50.3 Å²	50.3	50%	0.497	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	-111.8	-9.5	-179.5	54.2	0	0	0	0	113.6	D486 T491	D486-T489 WeakPolarHBondContact CB-OG1 3.49Å; D486-T489 PolarHBondContact O-N 3.28Å; D486-T489 PolarHBondContact OD1-N 3.44Å; T489-T491 VanDerWaalsContact C-N 3.32Å; T489-T491 PolarHBondContact OG1-OG1 2.73Å
490	D	97.6	Very high	97.4	Very high	54 Å²	54	50.3 Å²	50.3	29%	0.289	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	57.7	44.1	-173.5	-146.1	-26.1	0	0	0	111.4	K448 A449 Y485 D486	K448-D490 WeakPolarHBondContact CD-OD2 3.37Å; K448-D490 IonicContact NZ-OD2 3.18Å; K448-D490 PolarHBondContact NZ-OD2 2.88Å; A449-D490 WeakPolarHBondContact CB-O 3.3Å; A449-D490 VanDerWaalsContact CB-OD1 3.27Å; A449-D490 WeakPolarHBondContact CB-OD1 3.44Å; A449-D490 PolarHBondContact N-OD1 2.88Å; Y485-D490 PolarHBondContact OH-OD1 3.27Å; D486-D490 PolarHBondContact O-N 2.93Å
491	T	98.1	Very high	97.3	Very high	70 Å²	70	45.3 Å²	45.3	43%	0.429	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	156.3	-177	64.1	0	0	0	0	113.1	Y485 D486 T489	Y485-T491 WeakPolarHBondContact CA-O 3.38Å; Y485-T491 VanDerWaalsContact CD2-O 3.32Å; Y485-T491 WeakPolarHBondContact CD2-O 3.4Å; D486-T491 PolarHBondContact N-O 3.04Å; T489-T491 VanDerWaalsContact C-N 3.32Å; T489-T491 PolarHBondContact OG1-OG1 2.73Å
492	W	98.4	Very high	97.3	Very high	52 Å²	52	43.9 Å²	43.9	20%	0.197	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	146.5	173.3	-69.7	88.9	0	0	0	110.9	I423 M435 A449 A450 M451 V469 C483 A484 Y485	I423-W492 HydrophobicContact CD1-CH2 4.43Å; I423-W492 HydrophobicContact CG2-CH2 3.85Å; I423-W492 HydrophobicContact CG2-CZ2 4.28Å; M435-W492 HydrophobicContact CE-CZ2 3.8Å; M435-W492 HydrophobicContact SD-CH2 4.36Å; M435-W492 HydrophobicContact SD-CZ2 3.75Å; A449-W492 PolarHBondContact O-NE1 3.01Å; A450-W492 VanDerWaalsContact O-CD1 3.22Å; A450-W492 PolarHBondContact O-NE1 2.82Å; M451-W492 HydrophobicContact CG-CD2 3.92Å; M451-W492 HydrophobicContact CG-CE3 4Å; M451-W492 HydrophobicContact CG-CH2 3.52Å; M451-W492 HydrophobicContact CG-CZ2 3.4Å; M451-W492 VanDerWaalsContact CG-CZ2 3.4Å; M451-W492 HydrophobicContact CG-CZ3 3.82Å; M451-W492 HydrophobicContact SD-CH2 3.95Å; M451-W492 HydrophobicContact SD-CZ2 4.36Å; M451-W492 HydrophobicContact SD-CZ3 4.23Å; V469-W492 HydrophobicContact CB-CZ3 4.35Å; V469-W492 HydrophobicContact CG2-CH2 3.9Å; V469-W492 HydrophobicContact CG2-CZ3 3.79Å; C483-W492 HydrophobicContact CB-CE3 4.13Å; A484-W492 CarbonylContact O-C 3.5Å; A484-W492 WeakPolarHBondContact O-CA 3.29Å; Y485-W492 HydrophobicContact CD2-CD2 4.32Å; Y485-W492 AromaticContact CD2-CE2 3.93Å; Y485-W492 HydrophobicContact CD2-CZ2 4.32Å; Y485-W492 AromaticContact CD2-NE1 3.87Å; Y485-W492 HydrophobicContact CG-CZ2 4.24Å
493	Q	97.3	Very high	97.3	Very high	108 Å²	108	43.9 Å²	43.9	51%	0.505	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	131.5	174.1	-168.4	-175.4	33.6	0	0	110.3	C483 A484	C483-Q493 CarbonylContact C-O 3.41Å; C483-Q493 WeakPolarHBondContact CA-O 3.48Å; A484-Q493 PolarHBondContact N-O 2.74Å; A484-Q493 PolarHBondContact O-N 3.19Å
494	D	97.4	Very high	97.2	Very high	122 Å²	122	45.5 Å²	45.5	65%	0.652	26%	0.261	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-65.2	149.8	171	-80	-22.3	0	0	0	112.3
495	K	97.2	Very high	97.2	Very high	55 Å²	55	45.8 Å²	45.8	24%	0.239	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	166.7	-178.2	-63.1	-64.9	171.8	-177.4	0	110.8	L468 V482 A484 S497	L468-K495 HydrophobicContact CD1-CB 4.48Å; L468-K495 HydrophobicContact CD1-CG 4.08Å; V482-K495 HydrophobicContact CB-CB 4.17Å; V482-K495 HydrophobicContact CG1-CB 3.94Å; V482-K495 PolarHBondContact O-N 2.78Å; A484-K495 HydrophobicContact CB-CD 4.48Å; A484-K495 HydrophobicContact CB-CG 3.99Å; K495-S497 PolarHBondContact O-N 2.97Å
496	S	97.2	Very high	97.2	Very high	46 Å²	46	46.2 Å²	46.2	32%	0.322	27%	0.265	S	S	.	.	P	Polyproline II helix	trans	-47.6	126.3	172.5	-58	0	0	0	0	110.3	V482 G542 W544	V482-S496 WeakPolarHBondContact CB-O 3.43Å; V482-S496 WeakPolarHBondContact CG2-O 3.47Å; S496-G542 VanDerWaalsContact CB-O 3.22Å; S496-G542 WeakPolarHBondContact CB-O 3.47Å; S496-G542 PolarHBondContact OG-O 3.39Å; S496-W544 PolarHBondContact O-NE1 2.77Å
497	S	97.9	Very high	97.2	Very high	61 Å²	61	45.6 Å²	45.6	43%	0.427	26%	0.263	S	S	.	.	P	Polyproline II helix	trans	-69.9	154.5	-179.7	-70.6	0	0	0	0	111.8	R480 K495	R480-S497 WeakPolarHBondContact O-CA 3.28Å; R480-S497 WeakPolarHBondContact O-CB 3.47Å; K495-S497 PolarHBondContact O-N 2.97Å
498	L	98.1	Very high	97.2	Very high	4 Å²	4	44.6 Å²	44.6	2%	0.021	26%	0.257	C	S	.	.	P	Polyproline II helix	trans	-60.1	154.4	166.4	-64.6	169.7	0	0	0	110.8	R480 V482 T500 R502 V516 E535 W544	R480-L498 HydrophobicContact CB-CB 4.23Å; R480-L498 WeakPolarHBondContact CB-O 3.41Å; R480-L498 PolarHBondContact O-N 2.84Å; V482-L498 HydrophobicContact CG2-CG 3.95Å; L498-T500 VanDerWaalsContact C-N 3.33Å; L498-R502 HydrophobicContact CD1-CG 3.88Å; L498-V516 HydrophobicContact CD1-CG1 4.49Å; L498-V516 HydrophobicContact CD2-CB 4.47Å; L498-V516 HydrophobicContact CD2-CG1 4.33Å; L498-V516 HydrophobicContact CD2-CG2 4.41Å; L498-E535 WeakPolarHBondContact CA-OE2 3.32Å; L498-E535 HydrophobicContact CD2-CB 4.31Å; L498-W544 HydrophobicContact CD2-CD2 3.91Å; L498-W544 HydrophobicContact CD2-CE3 3.9Å; L498-W544 HydrophobicContact CD2-CH2 3.65Å; L498-W544 HydrophobicContact CD2-CZ2 3.63Å; L498-W544 HydrophobicContact CD2-CZ3 3.77Å; L498-W544 HydrophobicContact CG-CZ2 4.44Å
499	S	96.4	Very high	97.3	Very high	44 Å²	44	41.2 Å²	41.2	31%	0.308	23%	0.232	S	C	.	.	S	Bend	trans	-67.9	-38.2	168	65.4	0	0	0	0	111.4	E535 Y546	S499-E535 PolarHBondContact N-OE2 2.87Å; S499-E535 VanDerWaalsContact OG-CD 3.26Å; S499-E535 PolarHBondContact OG-OE1 2.94Å; S499-E535 PolarHBondContact OG-OE2 3.46Å; S499-Y546 WeakPolarHBondContact CB-OH 3.43Å; S499-Y546 WeakPolarHBondContact OG-CE1 3.48Å; S499-Y546 PolarHBondContact OG-OH 2.88Å
500	T	93.8	Very high	97.2	Very high	19 Å²	19	38.4 Å²	38.4	12%	0.117	21%	0.214	C	C	.	.	S	Bend	trans	-115.1	120.4	-170.5	-53.1	0	0	0	0	110.7	L498 R502 Q521 V531 E535	L498-T500 VanDerWaalsContact C-N 3.33Å; T500-R502 PolarHBondContact O-N 2.89Å; T500-Q521 VanDerWaalsContact CG2-OE1 3.23Å; T500-V531 HydrophobicContact CG2-CG1 3.75Å; T500-V531 HydrophobicContact CG2-CG2 4.23Å; T500-E535 PolarHBondContact N-OE1 3.08Å
501	P	97.1	Very high	96.8	Very high	35 Å²	35	39.5 Å²	39.5	23%	0.227	24%	0.238	C	C	.	.			trans	-67	132.8	176	29.7	-33.3	0	0	0	109.5	Y478 S479 Q521	Y478-P501 WeakPolarHBondContact O-CB 3.41Å; S479-P501 WeakPolarHBondContact O-CA 3.45Å; P501-Q521 WeakPolarHBondContact O-CB 3.42Å
502	R	97.7	Very high	96.5	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	24%	0.235	C	C	.	.	B	Isolated β-bridge	trans	-153	155.3	-172.2	61	176.3	81.7	-149.7	11.5	113.3	G472 S479 L498 T500 H505 V516 G518 S520 V531 V533 E535	G472-R502 WeakPolarHBondContact CA-O 3.26Å; G472-R502 PolarHBondContact N-O 3.31Å; S479-R502 PolarHBondContact O-N 2.87Å; S479-R502 VanDerWaalsContact O-N 3.09Å; L498-R502 HydrophobicContact CD1-CG 3.88Å; T500-R502 PolarHBondContact O-N 2.89Å; R502-H505 HydrophobicContact CG-CB 4.39Å; R502-V516 VanDerWaalsContact CD-CG1 3.49Å; R502-G518 PolarHBondContact NH1-O 3.2Å; R502-G518 VanDerWaalsContact NH1-O 3.08Å; R502-S520 WeakPolarHBondContact CA-O 3.33Å; R502-V531 HydrophobicContact CB-CG2 4.19Å; R502-V531 VanDerWaalsContact NH1-CG1 3.32Å; R502-V533 PolarHBondContact NH1-O 3.04Å; R502-V533 PolarHBondContact NH2-O 2.93Å; R502-E535 IonicContact CZ-OE1 2.74Å; R502-E535 IonicContact NE-OE1 3.78Å; R502-E535 IonicContact NH2-OE1 2.78Å; R502-E535 PolarHBondContact NH2-OE1 3Å
503	G	97.4	Very high	96.3	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	24%	0.239	C	C	.	.	B	Isolated β-bridge	trans	-151	161.3	173.3	0	0	0	0	0	111.7	C457 H505 G519 S520	C457-G503 CarbonylContact O-C 3.42Å; C457-G503 WeakPolarHBondContact O-CA 3.35Å; G503-H505 PolarHBondContact O-N 3.01Å; G503-G519 CarbonylContact O-C 3.56Å; G503-G519 WeakPolarHBondContact O-CA 3.31Å; G503-S520 PolarHBondContact N-O 2.89Å; G503-S520 PolarHBondContact O-N 2.81Å
504	W	96.9	Very high	96.4	Very high	39 Å²	39	35.3 Å²	35.3	15%	0.148	22%	0.215	C	C	.	.	S	Bend	trans	54.9	26.7	-167.6	-59.4	-87.1	0	0	0	113.3	H410 C457 Y478 S555 T556	H410-W504 AromaticContact CD2-NE1 3.82Å; H410-W504 AromaticContact CE1-CD1 3.81Å; H410-W504 AromaticContact CE1-NE1 3.33Å; H410-W504 PolarHBondContact CE1-NE1 2.99Å; H410-W504 VanDerWaalsContact CE1-NE1 3.33Å; H410-W504 AromaticContact CG-NE1 3.97Å; H410-W504 AromaticContact ND1-CD1 3.88Å; H410-W504 AromaticContact ND1-NE1 3.67Å; H410-W504 AromaticContact NE2-NE1 3.38Å; H410-W504 PolarHBondContact NE2-NE1 2.95Å; C457-W504 HydrophobicContact CB-CD2 3.71Å; C457-W504 HydrophobicContact CB-CE3 4.19Å; C457-W504 HydrophobicContact CB-CG 3.94Å; C457-W504 HydrophobicContact CB-CZ2 4.27Å; C457-W504 PolarHBondContact O-N 2.96Å; C457-W504 WeakPolarHBondContact SG-CZ2 3.48Å; C457-W504 PolarHBondContact SG-NE1 3.49Å; Y478-W504 AromaticContact CE1-CE3 3.96Å; Y478-W504 HydrophobicContact CE1-CE3 3.96Å; Y478-W504 AromaticContact CE1-CZ3 3.65Å; Y478-W504 HydrophobicContact CE1-CZ3 3.65Å; W504-S555 WeakPolarHBondContact O-CA 3.23Å; W504-T556 HydrophobicContact CB-CG2 3.92Å; W504-T556 HydrophobicContact CG-CG2 3.96Å; W504-T556 PolarHBondContact O-N 2.93Å
505	H	97.9	Very high	96.4	Very high	11 Å²	11	30.4 Å²	30.4	5%	0.051	19%	0.187	C	C	.	.			trans	-83	174	172.2	61.3	-82.7	0	0	0	111.4	A459 S470 R502 G503 F517 G518	A459-H505 VanDerWaalsContact CB-CD2 3.42Å; A459-H505 WeakPolarHBondContact CB-CD2 3.3Å; A459-H505 WeakPolarHBondContact CB-NE2 3.38Å; A459-H505 PolarHBondContact N-NE2 3.43Å; S470-H505 PolarHBondContact O-CE1 3.15Å; S470-H505 PolarHBondContact O-NE2 2.66Å; S470-H505 PolarHBondContact OG-NE2 3.25Å; S470-H505 VanDerWaalsContact OG-NE2 3.08Å; R502-H505 HydrophobicContact CG-CB 4.39Å; G503-H505 PolarHBondContact O-N 3.01Å; H505-F517 VanDerWaalsContact CB-O 3.32Å; H505-F517 WeakPolarHBondContact CB-O 3.46Å; H505-G518 VanDerWaalsContact CB-O 3.29Å; H505-G518 WeakPolarHBondContact CB-O 3.22Å
506	C	97.7	Very high	96.5	Very high	11 Å²	11	27.9 Å²	27.9	7%	0.074	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	155.3	173.8	-57	0	0	0	0	110.4	F517 A557 I559 L568	C506-F517 HydrophobicContact CB-CB 4.49Å; C506-F517 PolarHBondContact N-O 2.89Å; C506-F517 PolarHBondContact O-N 3.4Å; C506-A557 PolarHBondContact SG-O 3.48Å; C506-I559 HydrophobicContact CB-CB 3.89Å; C506-I559 HydrophobicContact CB-CD1 3.65Å; C506-I559 HydrophobicContact CB-CG1 4.37Å; C506-I559 HydrophobicContact CB-CG2 3.99Å; C506-L568 HydrophobicContact CB-CD1 4.02Å
507	A	97.6	Very high	96.5	Very high	13 Å²	13	25.7 Å²	25.7	11%	0.107	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	147.9	170.1	0	0	0	0	0	110.2	A459 Y515 V516	A459-A507 HydrophobicContact CB-CB 3.57Å; A507-Y515 WeakPolarHBondContact CA-O 3.34Å; A507-V516 HydrophobicContact CB-CG2 4.28Å
508	A	97.1	Very high	96.4	Very high	10 Å²	10	22.9 Å²	22.9	8%	0.083	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.8	146.9	178.4	0	0	0	0	0	110	Y515 F517 I559 I561 I566	A508-Y515 PolarHBondContact N-O 3.36Å; A508-Y515 VanDerWaalsContact N-O 3.07Å; A508-Y515 PolarHBondContact O-N 2.84Å; A508-F517 HydrophobicContact CB-CE2 4.4Å; A508-I559 HydrophobicContact CB-CD1 3.66Å; A508-I559 HydrophobicContact CB-CG1 4.22Å; A508-I561 HydrophobicContact CB-CD1 4.17Å; A508-I561 HydrophobicContact CB-CG1 4.4Å; A508-I566 HydrophobicContact CB-CD1 4.28Å
509	T	96.8	Very high	96.4	Very high	31 Å²	31	22.7 Å²	22.7	19%	0.19	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	133.7	173.9	-61.2	0	0	0	0	110.1	S461 V462 R513 I561	S461-T509 WeakPolarHBondContact CB-OG1 3.23Å; S461-T509 PolarHBondContact OG-OG1 2.98Å; V462-T509 WeakPolarHBondContact O-CB 3.41Å; V462-T509 VanDerWaalsContact O-CG2 3.25Å; V462-T509 WeakPolarHBondContact O-CG2 3.37Å; V462-T509 PolarHBondContact O-OG1 3.37Å; T509-R513 VanDerWaalsContact CA-O 3.31Å; T509-R513 WeakPolarHBondContact CA-O 3.34Å; T509-R513 WeakPolarHBondContact CG2-O 3.43Å; T509-I561 WeakPolarHBondContact O-CD1 3.21Å
510	I	94.8	Very high	96.4	Very high	22 Å²	22	20.6 Å²	20.6	11%	0.113	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	133.2	171.2	-175.7	159.2	0	0	0	109.4	D512 R513 Y515 I561 N564 I566 P588	I510-D512 PolarHBondContact O-N 3.27Å; I510-R513 PolarHBondContact N-O 2.7Å; I510-R513 PolarHBondContact O-N 3.16Å; I510-Y515 HydrophobicContact CG2-CD2 3.74Å; I510-Y515 HydrophobicContact CG2-CE2 3.34Å; I510-I561 HydrophobicContact CD1-CG2 4.24Å; I510-N564 VanDerWaalsContact CD1-CA 3.48Å; I510-N564 HydrophobicContact CD1-CB 3.99Å; I510-N564 WeakPolarHBondContact CD1-O 3.47Å; I510-I566 HydrophobicContact CG2-CD1 3.87Å; I510-P588 HydrophobicContact CD1-CG 4.01Å; I510-P588 HydrophobicContact CG2-CB 4.36Å; I510-P588 HydrophobicContact CG2-CG 4.3Å
511	G	90.7	Very high	96.5	Very high	76 Å²	76	22.1 Å²	22.1	78%	0.784	13%	0.131	S	C	*	.	T	Hydrogen-bonded Turn	trans	60.6	-130.5	-165.5	0	0	0	0	0	111
512	D	90.4	Very high	96.5	Very high	69 Å²	69	25.4 Å²	25.4	37%	0.369	15%	0.147	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.5	-10.2	175.6	68.7	-37.9	0	0	0	113.8	T463 I510 P539 H540	T463-D512 PolarHBondContact OG1-O 2.84Å; I510-D512 PolarHBondContact O-N 3.27Å; D512-P539 WeakPolarHBondContact O-CD 3.2Å; D512-P539 WeakPolarHBondContact O-CG 3.47Å; D512-H540 IonicContact OD2-CE1 2.85Å; D512-H540 PolarHBondContact OD2-CE1 3.35Å; D512-H540 IonicContact OD2-ND1 3.6Å; D512-H540 PolarHBondContact OD2-ND1 2.68Å
513	R	95.8	Very high	96.2	Very high	73 Å²	73	26.3 Å²	26.3	28%	0.275	16%	0.156	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	133.3	-167.5	-75.8	162.9	-177.8	-96.3	3.7	113.3	T509 I510 Y515 Y537 N538	T509-R513 VanDerWaalsContact CA-O 3.31Å; T509-R513 WeakPolarHBondContact CA-O 3.34Å; T509-R513 WeakPolarHBondContact CG2-O 3.43Å; I510-R513 PolarHBondContact N-O 2.7Å; I510-R513 PolarHBondContact O-N 3.16Å; R513-Y515 HydrophobicContact CB-CD2 4.18Å; R513-Y515 HydrophobicContact CB-CE2 3.47Å; R513-Y515 VanDerWaalsContact CB-CE2 3.47Å; R513-Y515 WeakPolarHBondContact O-CD2 3.37Å; R513-Y515 WeakPolarHBondContact O-CE2 3.47Å; R513-Y537 WeakPolarHBondContact CA-O 3.45Å; R513-N538 PolarHBondContact NH2-ND2 3.28Å
514	A	97.8	Very high	95.8	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	137.4	166.4	0	0	0	0	0	109.7	S461 T463 L468 S536 Y537	S461-A514 WeakPolarHBondContact OG-CB 3.31Å; T463-A514 HydrophobicContact CG2-CB 3.93Å; L468-A514 HydrophobicContact CD2-CB 3.92Å; A514-S536 CarbonylContact O-C 3.57Å; A514-S536 WeakPolarHBondContact O-CA 3.3Å; A514-Y537 PolarHBondContact N-O 3.01Å; A514-Y537 PolarHBondContact O-N 2.94Å
515	Y	98.3	Very high	95.4	Very high	20 Å²	20	39.4 Å²	39.4	8%	0.078	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	147.2	179.9	-65.2	-107.7	0	0	0	110.3	A507 A508 I510 R513 F517 E535 I566 Y586	A507-Y515 WeakPolarHBondContact CA-O 3.34Å; A508-Y515 PolarHBondContact N-O 3.36Å; A508-Y515 VanDerWaalsContact N-O 3.07Å; A508-Y515 PolarHBondContact O-N 2.84Å; I510-Y515 HydrophobicContact CG2-CD2 3.74Å; I510-Y515 HydrophobicContact CG2-CE2 3.34Å; R513-Y515 HydrophobicContact CB-CD2 4.18Å; R513-Y515 HydrophobicContact CB-CE2 3.47Å; R513-Y515 VanDerWaalsContact CB-CE2 3.47Å; R513-Y515 WeakPolarHBondContact O-CD2 3.37Å; R513-Y515 WeakPolarHBondContact O-CE2 3.47Å; Y515-F517 HydrophobicContact CD1-CZ 4.23Å; Y515-F517 HydrophobicContact CG-CE2 4.48Å; Y515-F517 AromaticContact CG-CZ 3.97Å; Y515-F517 HydrophobicContact CG-CZ 3.97Å; Y515-E535 CarbonylContact C-O 3.51Å; Y515-E535 WeakPolarHBondContact CA-O 3.31Å; Y515-I566 HydrophobicContact CD2-CD1 4.48Å; Y515-Y586 AromaticContact CD1-CE1 3.97Å; Y515-Y586 HydrophobicContact CD1-CE1 3.97Å; Y515-Y586 AromaticContact CE1-CE1 3.76Å; Y515-Y586 HydrophobicContact CE1-CE1 3.76Å
516	V	98.3	Very high	95	Very high	2 Å²	2	41.1 Å²	41.1	1%	0.012	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	125.2	-176.1	171	0	0	0	0	110.1	S470 L498 R502 A507 V534 E535 W544	S470-V516 WeakPolarHBondContact OG-CG2 3.13Å; L498-V516 HydrophobicContact CD1-CG1 4.49Å; L498-V516 HydrophobicContact CD2-CB 4.47Å; L498-V516 HydrophobicContact CD2-CG1 4.33Å; L498-V516 HydrophobicContact CD2-CG2 4.41Å; R502-V516 VanDerWaalsContact CD-CG1 3.49Å; A507-V516 HydrophobicContact CB-CG2 4.28Å; V516-V534 WeakPolarHBondContact O-CA 3.46Å; V516-E535 PolarHBondContact N-O 3.08Å; V516-E535 PolarHBondContact O-N 2.88Å; V516-W544 HydrophobicContact CB-CH2 4.48Å; V516-W544 HydrophobicContact CB-CZ3 4.2Å; V516-W544 HydrophobicContact CG2-CH2 3.57Å; V516-W544 HydrophobicContact CG2-CZ3 3.71Å
517	F	97.5	Very high	94.8	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	135.8	-165.8	-54.4	-80.6	0	0	0	112.5	H505 C506 A508 Y515 V534 I559 I566 L568 Y586 W593	H505-F517 VanDerWaalsContact CB-O 3.32Å; H505-F517 WeakPolarHBondContact CB-O 3.46Å; C506-F517 HydrophobicContact CB-CB 4.49Å; C506-F517 PolarHBondContact N-O 2.89Å; C506-F517 PolarHBondContact O-N 3.4Å; A508-F517 HydrophobicContact CB-CE2 4.4Å; Y515-F517 HydrophobicContact CD1-CZ 4.23Å; Y515-F517 HydrophobicContact CG-CE2 4.48Å; Y515-F517 AromaticContact CG-CZ 3.97Å; Y515-F517 HydrophobicContact CG-CZ 3.97Å; F517-V534 HydrophobicContact CD1-CB 4.42Å; F517-V534 HydrophobicContact CD1-CG1 3.52Å; F517-V534 HydrophobicContact CD1-CG2 4Å; F517-V534 HydrophobicContact CE1-CG1 3.5Å; F517-V534 VanDerWaalsContact CE1-CG1 3.5Å; F517-V534 HydrophobicContact CZ-CG1 4.5Å; F517-I559 HydrophobicContact CD2-CD1 3.56Å; F517-I559 HydrophobicContact CE2-CD1 3.88Å; F517-I566 HydrophobicContact CE2-CD1 3.84Å; F517-I566 HydrophobicContact CE2-CG2 3.93Å; F517-I566 HydrophobicContact CZ-CB 4.43Å; F517-I566 HydrophobicContact CZ-CD1 3.51Å; F517-I566 HydrophobicContact CZ-CG2 3.97Å; F517-L568 HydrophobicContact CB-CD2 4.48Å; F517-Y586 HydrophobicContact CE1-CD1 4.17Å; F517-Y586 HydrophobicContact CE1-CG 4.39Å; F517-Y586 HydrophobicContact CZ-CD1 4.3Å; F517-W593 AromaticContact CD1-CH2 3.63Å; F517-W593 HydrophobicContact CD1-CH2 3.63Å; F517-W593 AromaticContact CD1-CZ2 3.52Å; F517-W593 HydrophobicContact CD1-CZ2 3.52Å; F517-W593 AromaticContact CE1-CH2 3.86Å; F517-W593 HydrophobicContact CE1-CH2 3.86Å; F517-W593 AromaticContact CE1-CZ2 3.67Å; F517-W593 HydrophobicContact CE1-CZ2 3.67Å; F517-W593 HydrophobicContact CG-CH2 4.48Å
518	G	97	Very high	94.6	Very high	1 Å²	1	46.1 Å²	46.1	1%	0.01	27%	0.271	C	S	.	.			trans	62.5	-146.6	167.9	0	0	0	0	0	113.4	R502 H505 V531 L550	R502-G518 PolarHBondContact NH1-O 3.2Å; R502-G518 VanDerWaalsContact NH1-O 3.08Å; H505-G518 VanDerWaalsContact CB-O 3.29Å; H505-G518 WeakPolarHBondContact CB-O 3.22Å; G518-V531 VanDerWaalsContact CA-O 3.28Å; G518-V531 WeakPolarHBondContact CA-O 3.25Å; G518-L550 VanDerWaalsContact CA-CD1 3.46Å
519	G	97.3	Very high	94.6	Very high	0 Å²	0	47.6 Å²	47.6	0%	0	28%	0.279	C	S	.	.			trans	84.4	-169.8	-171.2	0	0	0	0	0	112.4	G503 V531 V554	G503-G519 CarbonylContact O-C 3.56Å; G503-G519 WeakPolarHBondContact O-CA 3.31Å; G519-V531 PolarHBondContact O-N 2.97Å; G519-V554 PolarHBondContact N-O 3.13Å
520	S	97	Very high	94.7	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	158.3	178.7	-44.2	0	0	0	0	111.7	Y478 R502 G503 R528 V529 S555	Y478-S520 WeakPolarHBondContact CD1-O 3.26Å; Y478-S520 VanDerWaalsContact CE1-O 3.23Å; Y478-S520 WeakPolarHBondContact CE1-O 3.46Å; R502-S520 WeakPolarHBondContact CA-O 3.33Å; G503-S520 PolarHBondContact N-O 2.89Å; G503-S520 PolarHBondContact O-N 2.81Å; S520-R528 PolarHBondContact OG-NE 2.8Å; S520-R528 PolarHBondContact OG-NH2 3.04Å; S520-V529 CarbonylContact C-O 3.56Å; S520-V529 VanDerWaalsContact CA-O 3.22Å; S520-V529 WeakPolarHBondContact CA-O 3.49Å; S520-V529 WeakPolarHBondContact CB-O 3.41Å; S520-S555 WeakPolarHBondContact OG-CB 3.46Å; S520-S555 PolarHBondContact OG-OG 3.47Å
521	Q	96.4	Very high	94.8	Very high	51 Å²	51	46.4 Å²	46.4	24%	0.238	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	-179.6	170.3	69.2	177.9	-24.9	0	0	110.8	T500 P501 V529 V531	T500-Q521 VanDerWaalsContact CG2-OE1 3.23Å; P501-Q521 WeakPolarHBondContact O-CB 3.42Å; Q521-V529 HydrophobicContact CG-CG2 3.52Å; Q521-V529 PolarHBondContact N-O 2.87Å; Q521-V529 PolarHBondContact O-N 3Å; Q521-V531 HydrophobicContact CB-CG2 3.73Å; Q521-V531 HydrophobicContact CG-CG2 3.7Å
522	L	95.6	Very high	95.1	Very high	105 Å²	105	46.5 Å²	46.5	55%	0.55	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91	125.2	169.8	-159.5	71.2	0	0	0	109.8	Y478 G526	Y478-L522 HydrophobicContact CD2-CB 4.07Å; Y478-L522 HydrophobicContact CE2-CB 4.26Å; L522-G526 VanDerWaalsContact CD1-O 3.27Å; L522-G526 WeakPolarHBondContact CD1-O 3.32Å
523	G	91.8	Very high	95.5	Very high	18 Å²	18	45.6 Å²	45.6	19%	0.186	25%	0.251	C	S	.	.			trans	-78.7	172.6	175	0	0	0	0	0	113	R525 G526 E527	G523-R525 PolarHBondContact O-N 2.79Å; G523-R525 VanDerWaalsContact O-N 3.1Å; G523-G526 PolarHBondContact O-N 2.88Å; G523-E527 VanDerWaalsContact C-OE2 3.25Å; G523-E527 WeakPolarHBondContact CA-OE2 3.22Å; G523-E527 PolarHBondContact N-O 2.88Å
524	G	88.6	Confident	95.6	Very high	91 Å²	91	42.1 Å²	42.1	94%	0.938	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.6	-13.1	-173.8	0	0	0	0	0	115.7
525	R	89.8	Confident	95.6	Very high	223 Å²	223	42.2 Å²	42.2	84%	0.842	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	-109.6	12.2	174.9	-59.2	173.4	-68	-151.5	-2.9	112.3	G523 E527	G523-R525 PolarHBondContact O-N 2.79Å; G523-R525 VanDerWaalsContact O-N 3.1Å; R525-E527 VanDerWaalsContact C-N 3.29Å; R525-E527 WeakPolarHBondContact CA-OE2 3.37Å; R525-E527 WeakPolarHBondContact CB-OE2 3.47Å; R525-E527 IonicContact CZ-OE1 2.73Å; R525-E527 PolarHBondContact N-OE2 3.17Å; R525-E527 IonicContact NE-OE1 2.71Å; R525-E527 PolarHBondContact NE-OE1 2.99Å; R525-E527 IonicContact NH2-OE1 2.77Å; R525-E527 PolarHBondContact NH2-OE1 2.85Å
526	G	88.9	Confident	95.6	Very high	47 Å²	47	41.5 Å²	41.5	49%	0.485	24%	0.236	S	C	.	.	S	Bend	trans	78.9	9.7	-175.4	0	0	0	0	0	114	L522 G523	L522-G526 VanDerWaalsContact CD1-O 3.27Å; L522-G526 WeakPolarHBondContact CD1-O 3.32Å; G523-G526 PolarHBondContact O-N 2.88Å
527	E	93.2	Very high	95.6	Very high	58 Å²	58	41.9 Å²	41.9	27%	0.271	24%	0.237	S	C	.	.			trans	-79.9	152.4	173.9	73.9	-82.9	-115.6	0	0	111.3	G523 R525 V529	G523-E527 VanDerWaalsContact C-OE2 3.25Å; G523-E527 WeakPolarHBondContact CA-OE2 3.22Å; G523-E527 PolarHBondContact N-O 2.88Å; R525-E527 VanDerWaalsContact C-N 3.29Å; R525-E527 WeakPolarHBondContact CA-OE2 3.37Å; R525-E527 WeakPolarHBondContact CB-OE2 3.47Å; R525-E527 IonicContact CZ-OE1 2.73Å; R525-E527 PolarHBondContact N-OE2 3.17Å; R525-E527 IonicContact NE-OE1 2.71Å; R525-E527 PolarHBondContact NE-OE1 2.99Å; R525-E527 IonicContact NH2-OE1 2.77Å; R525-E527 PolarHBondContact NH2-OE1 2.85Å; E527-V529 HydrophobicContact CG-CG1 3.72Å
528	R	94.4	Very high	95.6	Very high	71 Å²	71	43 Å²	43	27%	0.268	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	126.9	172.1	-169.5	173.6	169.1	-178.9	-5	109.6	Y478 S520 E574 K577	Y478-R528 WeakPolarHBondContact OH-CD 3.32Å; Y478-R528 WeakPolarHBondContact OH-CG 3.46Å; Y478-R528 PolarHBondContact OH-NE 2.91Å; S520-R528 PolarHBondContact OG-NE 2.8Å; S520-R528 PolarHBondContact OG-NH2 3.04Å; R528-E574 WeakPolarHBondContact CD-OE1 3.44Å; R528-E574 HydrophobicContact CG-CG 4.01Å; R528-E574 IonicContact CZ-OE1 2.85Å; R528-E574 VanDerWaalsContact CZ-OE1 3.26Å; R528-E574 IonicContact NE-OE1 2.71Å; R528-E574 PolarHBondContact NE-OE1 2.82Å; R528-E574 IonicContact NH1-OE1 3.4Å; R528-E574 IonicContact NH2-OE1 3.67Å; R528-K577 PolarHBondContact O-NZ 3.49Å
529	V	96.8	Very high	95.5	Very high	42 Å²	42	43.9 Å²	43.9	26%	0.255	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	154.2	-178.6	-56.6	0	0	0	0	111.5	S520 Q521 E527	S520-V529 CarbonylContact C-O 3.56Å; S520-V529 VanDerWaalsContact CA-O 3.22Å; S520-V529 WeakPolarHBondContact CA-O 3.49Å; S520-V529 WeakPolarHBondContact CB-O 3.41Å; Q521-V529 HydrophobicContact CG-CG2 3.52Å; Q521-V529 PolarHBondContact N-O 2.87Å; Q521-V529 PolarHBondContact O-N 3Å; E527-V529 HydrophobicContact CG-CG1 3.72Å
530	D	97.5	Very high	95.3	Very high	26 Å²	26	50.8 Å²	50.8	14%	0.139	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.5	150.7	174.8	-58.9	-64.8	0	0	0	112	N573 E574 G575	D530-N573 PolarHBondContact OD2-ND2 3.16Å; D530-E574 VanDerWaalsContact CG-N 3.3Å; D530-E574 WeakPolarHBondContact OD1-CB 3.17Å; D530-E574 PolarHBondContact OD1-N 2.95Å; D530-E574 PolarHBondContact OD2-N 3Å; D530-G575 PolarHBondContact OD2-N 2.79Å
531	V	97.8	Very high	95.3	Very high	1 Å²	1	54 Å²	54	1%	0.006	30%	0.303	C	S	.	.			trans	-105.6	101.9	172.6	-178.2	0	0	0	0	109.8	T500 R502 G518 G519 Q521 V533	T500-V531 HydrophobicContact CG2-CG1 3.75Å; T500-V531 HydrophobicContact CG2-CG2 4.23Å; R502-V531 HydrophobicContact CB-CG2 4.19Å; R502-V531 VanDerWaalsContact NH1-CG1 3.32Å; G518-V531 VanDerWaalsContact CA-O 3.28Å; G518-V531 WeakPolarHBondContact CA-O 3.25Å; G519-V531 PolarHBondContact O-N 2.97Å; Q521-V531 HydrophobicContact CB-CG2 3.73Å; Q521-V531 HydrophobicContact CG-CG2 3.7Å; V531-V533 VanDerWaalsContact C-N 3.35Å; V531-V533 HydrophobicContact CG1-CB 4.24Å
532	L	97.4	Very high	95.3	Very high	78 Å²	78	52.3 Å²	52.3	41%	0.408	30%	0.299	S	S	.	.			trans	-77.9	-21.4	176.7	-54.3	-175.8	0	0	0	113.1	V534 P549 L550 G553	L532-V534 PolarHBondContact O-N 3.48Å; L532-P549 HydrophobicContact CB-CB 4.38Å; L532-P549 CarbonylContact O-C 3.53Å; L532-P549 VanDerWaalsContact O-CA 3.25Å; L532-P549 WeakPolarHBondContact O-CA 3.39Å; L532-P549 WeakPolarHBondContact O-CB 3.46Å; L532-L550 HydrophobicContact CD2-CB 4.33Å; L532-L550 PolarHBondContact O-N 2.89Å; L532-G553 VanDerWaalsContact CD2-CA 3.4Å
533	V	97.9	Very high	95.3	Very high	50 Å²	50	52.4 Å²	52.4	30%	0.303	30%	0.297	S	S	.	.			trans	-65.7	123.5	-177.2	-178.2	0	0	0	0	110.3	R502 V531 E535 Y546	R502-V533 PolarHBondContact NH1-O 3.04Å; R502-V533 PolarHBondContact NH2-O 2.93Å; V531-V533 VanDerWaalsContact C-N 3.35Å; V531-V533 HydrophobicContact CG1-CB 4.24Å; V533-E535 HydrophobicContact CG1-CG 4.02Å; V533-Y546 HydrophobicContact CG1-CD1 3.69Å; V533-Y546 HydrophobicContact CG1-CE1 3.69Å
534	V	98.1	Very high	95.6	Very high	0 Å²	0	53.2 Å²	53.2	0%	0	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	131.5	172.8	-178.3	0	0	0	0	108.7	V516 F517 L532 C547 A548 L550 W593	V516-V534 WeakPolarHBondContact O-CA 3.46Å; F517-V534 HydrophobicContact CD1-CB 4.42Å; F517-V534 HydrophobicContact CD1-CG1 3.52Å; F517-V534 HydrophobicContact CD1-CG2 4Å; F517-V534 HydrophobicContact CE1-CG1 3.5Å; F517-V534 VanDerWaalsContact CE1-CG1 3.5Å; F517-V534 HydrophobicContact CZ-CG1 4.5Å; L532-V534 PolarHBondContact O-N 3.48Å; V534-C547 HydrophobicContact CB-CB 4Å; V534-C547 HydrophobicContact CG1-CB 3.74Å; V534-C547 PolarHBondContact O-N 2.99Å; V534-A548 WeakPolarHBondContact CG2-O 3.36Å; V534-L550 HydrophobicContact CG2-CG 4.11Å; V534-W593 HydrophobicContact CG2-CZ2 3.92Å
535	E	98.2	Very high	96	Very high	2 Å²	2	51.7 Å²	51.7	1%	0.009	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	134.3	-178.4	-59.9	177.4	-117	0	0	109.1	L498 S499 T500 R502 Y515 V516 V533 W544 Y546	L498-E535 WeakPolarHBondContact CA-OE2 3.32Å; L498-E535 HydrophobicContact CD2-CB 4.31Å; S499-E535 PolarHBondContact N-OE2 2.87Å; S499-E535 VanDerWaalsContact OG-CD 3.26Å; S499-E535 PolarHBondContact OG-OE1 2.94Å; S499-E535 PolarHBondContact OG-OE2 3.46Å; T500-E535 PolarHBondContact N-OE1 3.08Å; R502-E535 IonicContact CZ-OE1 2.74Å; R502-E535 IonicContact NE-OE1 3.78Å; R502-E535 IonicContact NH2-OE1 2.78Å; R502-E535 PolarHBondContact NH2-OE1 3Å; Y515-E535 CarbonylContact C-O 3.51Å; Y515-E535 WeakPolarHBondContact CA-O 3.31Å; V516-E535 PolarHBondContact N-O 3.08Å; V516-E535 PolarHBondContact O-N 2.88Å; V533-E535 HydrophobicContact CG1-CG 4.02Å; E535-W544 HydrophobicContact CB-CE3 3.64Å; E535-W544 HydrophobicContact CB-CZ3 4.1Å; E535-Y546 HydrophobicContact CG-CD1 4.39Å; E535-Y546 HydrophobicContact CG-CE1 4.44Å
536	S	97.8	Very high	96.4	Very high	5 Å²	5	48.8 Å²	48.8	4%	0.035	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	137.3	172.2	66	0	0	0	0	111	A514 W544 S545 C547	A514-S536 CarbonylContact O-C 3.57Å; A514-S536 WeakPolarHBondContact O-CA 3.3Å; S536-W544 VanDerWaalsContact C-CE3 3.46Å; S536-W544 CarbonylContact O-C 3.52Å; S536-W544 VanDerWaalsContact O-CA 3.25Å; S536-W544 WeakPolarHBondContact O-CA 3.38Å; S536-S545 PolarHBondContact N-O 3Å; S536-S545 PolarHBondContact O-N 2.84Å; S536-S545 PolarHBondContact OG-O 3.37Å; S536-C547 PolarHBondContact OG-SG 3.18Å
537	Y	98.3	Very high	96.8	Very high	10 Å²	10	47.4 Å²	47.4	4%	0.039	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	127.5	178.6	177.2	-101.3	0	0	0	109.9	T463 L468 R513 A514 P539 W544	T463-Y537 HydrophobicContact CG2-CD1 4.39Å; L468-Y537 HydrophobicContact CD1-CE1 4.33Å; L468-Y537 HydrophobicContact CD2-CD1 3.62Å; L468-Y537 HydrophobicContact CD2-CE1 4.1Å; L468-Y537 HydrophobicContact CD2-CG 3.92Å; R513-Y537 WeakPolarHBondContact CA-O 3.45Å; A514-Y537 PolarHBondContact N-O 3.01Å; A514-Y537 PolarHBondContact O-N 2.94Å; Y537-P539 VanDerWaalsContact CE1-CA 3.49Å; Y537-P539 HydrophobicContact CE1-CB 3.98Å; Y537-W544 HydrophobicContact CD2-CD2 4.11Å; Y537-W544 AromaticContact CD2-CE2 3.75Å; Y537-W544 HydrophobicContact CD2-CG 4.37Å; Y537-W544 HydrophobicContact CD2-CZ2 4.09Å; Y537-W544 AromaticContact CD2-NE1 3.82Å; Y537-W544 HydrophobicContact CG-CD2 4.48Å; Y537-W544 HydrophobicContact CG-CH2 4.44Å; Y537-W544 HydrophobicContact CG-CZ2 4.2Å
538	N	96.9	Very high	97.1	Very high	25 Å²	25	45.6 Å²	45.6	13%	0.134	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98	117.1	169.4	-177.2	-35.5	0	0	0	108.9	R513 H540 S541 G542 Q543	R513-N538 PolarHBondContact NH2-ND2 3.28Å; N538-H540 VanDerWaalsContact C-N 3.32Å; N538-H540 PolarHBondContact O-N 2.75Å; N538-H540 VanDerWaalsContact OD1-CB 3.29Å; N538-H540 WeakPolarHBondContact OD1-CB 3.4Å; N538-H540 PolarHBondContact OD1-N 2.77Å; N538-H540 PolarHBondContact OD1-ND1 2.87Å; N538-S541 PolarHBondContact OD1-N 2.89Å; N538-G542 WeakPolarHBondContact O-CA 3.39Å; N538-G542 PolarHBondContact O-N 3.5Å; N538-Q543 PolarHBondContact N-O 2.96Å
539	P	95.2	Very high	97.2	Very high	19 Å²	19	45.8 Å²	45.8	12%	0.123	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.3	-32	-178.1	28.3	-36	0	0	0	113.3	T463 D464 D512 Y537 G542	T463-P539 WeakPolarHBondContact OG1-CG 3.36Å; D464-P539 HydrophobicContact CB-CB 3.52Å; D464-P539 HydrophobicContact CB-CG 3.94Å; D512-P539 WeakPolarHBondContact O-CD 3.2Å; D512-P539 WeakPolarHBondContact O-CG 3.47Å; Y537-P539 VanDerWaalsContact CE1-CA 3.49Å; Y537-P539 HydrophobicContact CE1-CB 3.98Å; P539-G542 PolarHBondContact O-N 3.16Å
540	H	94.8	Very high	97.2	Very high	144 Å²	144	44 Å²	44	67%	0.667	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.9	-37.9	-178	-53.5	99.4	0	0	0	112.8	D512 N538	D512-H540 IonicContact OD2-CE1 2.85Å; D512-H540 PolarHBondContact OD2-CE1 3.35Å; D512-H540 IonicContact OD2-ND1 3.6Å; D512-H540 PolarHBondContact OD2-ND1 2.68Å; N538-H540 VanDerWaalsContact C-N 3.32Å; N538-H540 PolarHBondContact O-N 2.75Å; N538-H540 VanDerWaalsContact OD1-CB 3.29Å; N538-H540 WeakPolarHBondContact OD1-CB 3.4Å; N538-H540 PolarHBondContact OD1-N 2.77Å; N538-H540 PolarHBondContact OD1-ND1 2.87Å
541	S	96	Very high	97.1	Very high	68 Å²	68	48.2 Å²	48.2	48%	0.476	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.5	-15.4	176.2	65.9	0	0	0	0	113.4	N538 Q543	N538-S541 PolarHBondContact OD1-N 2.89Å; S541-Q543 PolarHBondContact O-N 3.32Å; S541-Q543 PolarHBondContact O-NE2 3.16Å; S541-Q543 PolarHBondContact OG-N 2.96Å
542	G	95.7	Very high	96.9	Very high	15 Å²	15	49.3 Å²	49.3	16%	0.155	26%	0.262	C	S	.	.	T	Hydrogen-bonded Turn	trans	64.9	19.5	-172.7	0	0	0	0	0	113.9	S496 N538 P539	S496-G542 VanDerWaalsContact CB-O 3.22Å; S496-G542 WeakPolarHBondContact CB-O 3.47Å; S496-G542 PolarHBondContact OG-O 3.39Å; N538-G542 WeakPolarHBondContact O-CA 3.39Å; N538-G542 PolarHBondContact O-N 3.5Å; P539-G542 PolarHBondContact O-N 3.16Å
543	Q	96.6	Very high	96.9	Very high	107 Å²	107	45.7 Å²	45.7	50%	0.5	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	150.4	-175.2	-60.8	-52.8	-50.9	0	0	112.8	N538 S541	N538-Q543 PolarHBondContact N-O 2.96Å; S541-Q543 PolarHBondContact O-N 3.32Å; S541-Q543 PolarHBondContact O-NE2 3.16Å; S541-Q543 PolarHBondContact OG-N 2.96Å
544	W	98.2	Very high	96.8	Very high	36 Å²	36	43.4 Å²	43.4	14%	0.136	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	154.2	167.1	-68	96.4	0	0	0	111.2	L468 V482 S496 L498 V516 E535 S536 Y537	L468-W544 HydrophobicContact CD2-CH2 4.26Å; L468-W544 HydrophobicContact CD2-CZ2 4.25Å; V482-W544 HydrophobicContact CG1-CZ2 4.15Å; V482-W544 HydrophobicContact CG2-CZ2 3.89Å; S496-W544 PolarHBondContact O-NE1 2.77Å; L498-W544 HydrophobicContact CD2-CD2 3.91Å; L498-W544 HydrophobicContact CD2-CE3 3.9Å; L498-W544 HydrophobicContact CD2-CH2 3.65Å; L498-W544 HydrophobicContact CD2-CZ2 3.63Å; L498-W544 HydrophobicContact CD2-CZ3 3.77Å; L498-W544 HydrophobicContact CG-CZ2 4.44Å; V516-W544 HydrophobicContact CB-CH2 4.48Å; V516-W544 HydrophobicContact CB-CZ3 4.2Å; V516-W544 HydrophobicContact CG2-CH2 3.57Å; V516-W544 HydrophobicContact CG2-CZ3 3.71Å; E535-W544 HydrophobicContact CB-CE3 3.64Å; E535-W544 HydrophobicContact CB-CZ3 4.1Å; S536-W544 VanDerWaalsContact C-CE3 3.46Å; S536-W544 CarbonylContact O-C 3.52Å; S536-W544 VanDerWaalsContact O-CA 3.25Å; S536-W544 WeakPolarHBondContact O-CA 3.38Å; Y537-W544 HydrophobicContact CD2-CD2 4.11Å; Y537-W544 AromaticContact CD2-CE2 3.75Å; Y537-W544 HydrophobicContact CD2-CG 4.37Å; Y537-W544 HydrophobicContact CD2-CZ2 4.09Å; Y537-W544 AromaticContact CD2-NE1 3.82Å; Y537-W544 HydrophobicContact CG-CD2 4.48Å; Y537-W544 HydrophobicContact CG-CH2 4.44Å; Y537-W544 HydrophobicContact CG-CZ2 4.2Å
545	S	97.3	Very high	96.7	Very high	58 Å²	58	43.5 Å²	43.5	41%	0.406	23%	0.23	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.5	141.1	177.2	-62.9	0	0	0	0	109.9	S536	S536-S545 PolarHBondContact N-O 3Å; S536-S545 PolarHBondContact O-N 2.84Å; S536-S545 PolarHBondContact OG-O 3.37Å
546	Y	97.9	Very high	96.6	Very high	163 Å²	163	44.8 Å²	44.8	64%	0.639	24%	0.239	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-71.7	139.8	177.9	-63.3	-64.1	0	0	0	111.8	S499 V533 E535	S499-Y546 WeakPolarHBondContact CB-OH 3.43Å; S499-Y546 WeakPolarHBondContact OG-CE1 3.48Å; S499-Y546 PolarHBondContact OG-OH 2.88Å; V533-Y546 HydrophobicContact CG1-CD1 3.69Å; V533-Y546 HydrophobicContact CG1-CE1 3.69Å; E535-Y546 HydrophobicContact CG-CD1 4.39Å; E535-Y546 HydrophobicContact CG-CE1 4.44Å
547	C	97.8	Very high	96.5	Very high	17 Å²	17	45 Å²	45	12%	0.115	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	176.4	169.2	-63.4	0	0	0	0	109.7	V534 S536 Y586 N591	V534-C547 HydrophobicContact CB-CB 4Å; V534-C547 HydrophobicContact CG1-CB 3.74Å; V534-C547 PolarHBondContact O-N 2.99Å; S536-C547 PolarHBondContact OG-SG 3.18Å; C547-Y586 HydrophobicContact CB-CE2 4.44Å; C547-Y586 WeakPolarHBondContact CB-OH 3.42Å; C547-N591 VanDerWaalsContact CA-OD1 3.23Å; C547-N591 WeakPolarHBondContact CA-OD1 3.38Å; C547-N591 VanDerWaalsContact CB-OD1 3.29Å; C547-N591 WeakPolarHBondContact CB-OD1 3.35Å
548	A	97.9	Very high	96.4	Very high	21 Å²	21	44.7 Å²	44.7	17%	0.174	24%	0.24	C	C	.	.	P	Polyproline II helix	trans	-56.4	133.9	172.8	0	0	0	0	0	110.9	V534 N591 W593	V534-A548 WeakPolarHBondContact CG2-O 3.36Å; A548-N591 WeakPolarHBondContact CB-O 3.32Å; A548-N591 PolarHBondContact N-OD1 3.34Å; A548-W593 PolarHBondContact O-NE1 3Å
549	P	97.8	Very high	96.4	Very high	75 Å²	75	45.1 Å²	45.1	49%	0.487	24%	0.242	S	C	.	.	P	Polyproline II helix	trans	-71	154	-178	30.8	-35.6	0	0	0	111.4	L532 W593	L532-P549 HydrophobicContact CB-CB 4.38Å; L532-P549 CarbonylContact O-C 3.53Å; L532-P549 VanDerWaalsContact O-CA 3.25Å; L532-P549 WeakPolarHBondContact O-CA 3.39Å; L532-P549 WeakPolarHBondContact O-CB 3.46Å; P549-W593 PolarHBondContact O-NE1 2.73Å
550	L	96.6	Very high	96.4	Very high	4 Å²	4	44.7 Å²	44.7	2%	0.021	24%	0.24	C	C	.	.	P	Polyproline II helix	trans	-60.2	138.5	171	-77.4	165.6	0	0	0	111.1	G518 L532 V534 L568 W593	G518-L550 VanDerWaalsContact CA-CD1 3.46Å; L532-L550 HydrophobicContact CD2-CB 4.33Å; L532-L550 PolarHBondContact O-N 2.89Å; V534-L550 HydrophobicContact CG2-CG 4.11Å; L550-L568 HydrophobicContact CD1-CD2 4.16Å; L550-L568 HydrophobicContact CD2-CD2 3.68Å; L550-W593 HydrophobicContact CD2-CD2 4.07Å; L550-W593 HydrophobicContact CD2-CE3 3.99Å; L550-W593 HydrophobicContact CD2-CH2 3.37Å; L550-W593 HydrophobicContact CD2-CZ2 3.46Å; L550-W593 VanDerWaalsContact CD2-CZ2 3.46Å; L550-W593 HydrophobicContact CD2-CZ3 3.64Å; L550-W593 HydrophobicContact CG-CH2 4.36Å; L550-W593 HydrophobicContact CG-CZ2 4.04Å
551	H	94.1	Very high	96.5	Very high	114 Å²	114	40.8 Å²	40.8	53%	0.528	22%	0.223	S	C	.	.	S	Bend	trans	-70.9	-45.1	171.8	-62.1	168.8	0	0	0	111.1	W593	H551-W593 PolarHBondContact CE1-O 3.01Å
552	T	95.6	Very high	96.5	Very high	24 Å²	24	38.8 Å²	38.8	15%	0.147	21%	0.207	C	C	.	.	S	Bend	trans	-115.4	119.4	177.2	-67.7	0	0	0	0	109.8	V554 K580 Q584	T552-V554 HydrophobicContact CG2-CG1 4.09Å; T552-V554 PolarHBondContact O-N 3.37Å; T552-K580 HydrophobicContact CG2-CD 4.37Å; T552-K580 HydrophobicContact CG2-CG 4.21Å; T552-Q584 PolarHBondContact O-NE2 3.25Å; T552-Q584 PolarHBondContact O-OE1 2.79Å
553	G	95.9	Very high	96.3	Very high	3 Å²	3	44.2 Å²	44.2	3%	0.031	23%	0.233	C	C	.	.			trans	-65.7	129.6	174	0	0	0	0	0	111.8	L532 N573	L532-G553 VanDerWaalsContact CD2-CA 3.4Å; G553-N573 WeakPolarHBondContact O-CB 3.45Å; G553-N573 PolarHBondContact O-ND2 2.95Å
554	V	96.9	Very high	96.2	Very high	2 Å²	2	44.2 Å²	44.2	1%	0.012	24%	0.236	C	C	.	.			trans	-142.8	144.9	177.8	-65.3	0	0	0	0	111.6	G519 T552 A557 L568 G570 W572 K580	G519-V554 PolarHBondContact N-O 3.13Å; T552-V554 HydrophobicContact CG2-CG1 4.09Å; T552-V554 PolarHBondContact O-N 3.37Å; V554-A557 HydrophobicContact CB-CB 4.28Å; V554-A557 HydrophobicContact CG2-CB 3.83Å; V554-L568 HydrophobicContact CG2-CD2 3.51Å; V554-L568 HydrophobicContact CG2-CG 3.98Å; V554-G570 WeakPolarHBondContact CG1-O 3.45Å; V554-W572 CarbonylContact C-O 3.59Å; V554-W572 WeakPolarHBondContact CA-O 3.48Å; V554-K580 HydrophobicContact CG1-CB 4.44Å; V554-K580 HydrophobicContact CG1-CG 4.16Å
555	S	96.3	Very high	96.2	Very high	1 Å²	1	46.2 Å²	46.2	1%	0.007	25%	0.246	C	C	.	.	B	Isolated β-bridge	trans	-127.9	154.3	171.7	63.3	0	0	0	0	110.1	W504 S520 A557 G571 W572	W504-S555 WeakPolarHBondContact O-CA 3.23Å; S520-S555 WeakPolarHBondContact OG-CB 3.46Å; S520-S555 PolarHBondContact OG-OG 3.47Å; S555-A557 PolarHBondContact O-N 3.14Å; S555-A557 VanDerWaalsContact O-N 3.16Å; S555-G571 CarbonylContact O-C 3.51Å; S555-G571 VanDerWaalsContact O-CA 3.31Å; S555-G571 WeakPolarHBondContact O-CA 3.2Å; S555-W572 PolarHBondContact N-O 2.61Å; S555-W572 PolarHBondContact O-N 2.92Å; S555-W572 PolarHBondContact OG-O 3.09Å; S555-W572 VanDerWaalsContact OG-O 3.08Å
556	T	94.4	Very high	96.2	Very high	29 Å²	29	43.4 Å²	43.4	18%	0.178	23%	0.226	C	C	.	.	S	Bend	trans	55.9	25.7	-173.1	68.5	0	0	0	0	114.6	W504 G605	W504-T556 HydrophobicContact CB-CG2 3.92Å; W504-T556 HydrophobicContact CG-CG2 3.96Å; W504-T556 PolarHBondContact O-N 2.93Å; T556-G605 PolarHBondContact O-N 2.84Å
557	A	96	Very high	96.2	Very high	11 Å²	11	37 Å²	37	9%	0.091	20%	0.201	C	C	.	.			trans	-74.7	156.9	172.7	0	0	0	0	0	110.9	C506 V554 S555 L568 G570	C506-A557 PolarHBondContact SG-O 3.48Å; V554-A557 HydrophobicContact CB-CB 4.28Å; V554-A557 HydrophobicContact CG2-CB 3.83Å; S555-A557 PolarHBondContact O-N 3.14Å; S555-A557 VanDerWaalsContact O-N 3.16Å; A557-L568 HydrophobicContact CB-CD1 3.79Å; A557-L568 HydrophobicContact CB-CG 4.07Å; A557-G570 WeakPolarHBondContact CB-O 3.21Å
558	G	96.3	Very high	96.2	Very high	2 Å²	2	36.3 Å²	36.3	2%	0.021	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	145.1	167.7	0	0	0	0	0	110.6	L568 L569 I606	G558-L568 WeakPolarHBondContact O-CA 3.47Å; G558-L569 PolarHBondContact N-O 3.33Å; G558-L569 PolarHBondContact O-N 2.97Å; G558-I606 VanDerWaalsContact CA-O 3.31Å; G558-I606 WeakPolarHBondContact CA-O 3.39Å
559	I	96.9	Very high	96.1	Very high	35 Å²	35	35.4 Å²	35.4	18%	0.179	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	143.4	177.2	-170.3	161.8	0	0	0	111	C506 A508 F517 I566 Y567 L568 C608	C506-I559 HydrophobicContact CB-CB 3.89Å; C506-I559 HydrophobicContact CB-CD1 3.65Å; C506-I559 HydrophobicContact CB-CG1 4.37Å; C506-I559 HydrophobicContact CB-CG2 3.99Å; A508-I559 HydrophobicContact CB-CD1 3.66Å; A508-I559 HydrophobicContact CB-CG1 4.22Å; F517-I559 HydrophobicContact CD2-CD1 3.56Å; F517-I559 HydrophobicContact CE2-CD1 3.88Å; I559-I566 HydrophobicContact CD1-CG2 3.81Å; I559-I566 HydrophobicContact CG1-CG2 3.92Å; I559-Y567 CarbonylContact C-O 3.49Å; I559-Y567 WeakPolarHBondContact CA-O 3.36Å; I559-L568 HydrophobicContact CB-CD1 4.35Å; I559-C608 CarbonylContact O-C 3.59Å; I559-C608 WeakPolarHBondContact O-CB 3.27Å; I559-C608 VanDerWaalsContact O-O 3.13Å
560	S	96.3	Very high	96	Very high	10 Å²	10	31.8 Å²	31.8	7%	0.07	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.9	163.6	174.1	-144.7	0	0	0	0	112.9	I566 Y567 C609 V610	S560-I566 WeakPolarHBondContact O-CA 3.41Å; S560-Y567 PolarHBondContact N-O 3.38Å; S560-Y567 PolarHBondContact O-N 3.33Å; S560-C609 WeakPolarHBondContact OG-CA 3.01Å; S560-C609 PolarHBondContact OG-O 3.3Å; S560-V610 PolarHBondContact OG-N 3.49Å
561	I	96.1	Very high	96	Very high	62 Å²	62	31.6 Å²	31.6	32%	0.318	16%	0.164	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	122.5	175.6	-60.1	160.6	0	0	0	108.8	A508 T509 I510 K565 I566 V610	A508-I561 HydrophobicContact CB-CD1 4.17Å; A508-I561 HydrophobicContact CB-CG1 4.4Å; T509-I561 WeakPolarHBondContact O-CD1 3.21Å; I510-I561 HydrophobicContact CD1-CG2 4.24Å; I561-K565 WeakPolarHBondContact CA-O 3.48Å; I561-I566 HydrophobicContact CG1-CG1 4.06Å; I561-V610 WeakPolarHBondContact O-CG2 3.46Å
562	L	95.4	Very high	96.1	Very high	26 Å²	26	29.3 Å²	29.3	14%	0.136	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	135.3	171.9	-175.8	66	0	0	0	109	K315 I317 N564 K565 Y567 V610	K315-L562 HydrophobicContact CB-CD1 4.21Å; I317-L562 HydrophobicContact CD1-CB 4.34Å; I317-L562 HydrophobicContact CD1-CD2 4.09Å; I317-L562 HydrophobicContact CG1-CB 4.26Å; I317-L562 HydrophobicContact CG1-CD2 4Å; L562-N564 VanDerWaalsContact C-N 3.31Å; L562-N564 PolarHBondContact O-N 2.8Å; L562-K565 PolarHBondContact N-O 3.34Å; L562-K565 PolarHBondContact O-N 2.97Å; L562-Y567 HydrophobicContact CB-CD2 4.18Å; L562-Y567 HydrophobicContact CB-CE2 3.8Å; L562-V610 HydrophobicContact CB-CG2 4.02Å; L562-V610 HydrophobicContact CD1-CG1 4.02Å; L562-V610 HydrophobicContact CD1-CG2 4.11Å
563	N	93.1	Very high	96.2	Very high	129 Å²	129	28.7 Å²	28.7	69%	0.69	15%	0.147	S	C	*	.	T	Hydrogen-bonded Turn	trans	48.2	48.7	173.9	-58.5	-17.2	0	0	0	113.8	K565	N563-K565 PolarHBondContact O-N 3.44Å
564	N	94.4	Very high	96.1	Very high	107 Å²	107	29.1 Å²	29.1	57%	0.572	15%	0.148	S	C	*	.	T	Hydrogen-bonded Turn	trans	56	22.7	-175.7	-69.1	5.4	0	0	0	116.1	I510 L562 P588	I510-N564 VanDerWaalsContact CD1-CA 3.48Å; I510-N564 HydrophobicContact CD1-CB 3.99Å; I510-N564 WeakPolarHBondContact CD1-O 3.47Å; L562-N564 VanDerWaalsContact C-N 3.31Å; L562-N564 PolarHBondContact O-N 2.8Å; N564-P588 VanDerWaalsContact O-CD 3.28Å; N564-P588 WeakPolarHBondContact O-CD 3.34Å; N564-P588 WeakPolarHBondContact O-CG 3.48Å
565	K	96.7	Very high	95.9	Very high	77 Å²	77	32.2 Å²	32.2	34%	0.335	18%	0.18	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	148.1	171.6	-63.3	-176	-177.9	-175.9	0	111	I561 L562 N563 Y567 V585 Y586	I561-K565 WeakPolarHBondContact CA-O 3.48Å; L562-K565 PolarHBondContact N-O 3.34Å; L562-K565 PolarHBondContact O-N 2.97Å; N563-K565 PolarHBondContact O-N 3.44Å; K565-Y567 HydrophobicContact CB-CE2 3.92Å; K565-V585 HydrophobicContact CB-CG1 3.84Å; K565-V585 HydrophobicContact CD-CG1 3.96Å; K565-V585 HydrophobicContact CG-CG1 4.47Å; K565-Y586 WeakPolarHBondContact CA-O 3.27Å
566	I	97.5	Very high	95.8	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	124.3	178.4	-68.3	168.7	0	0	0	108.3	A508 I510 Y515 F517 I559 S560 I561 V585 Y586	A508-I566 HydrophobicContact CB-CD1 4.28Å; I510-I566 HydrophobicContact CG2-CD1 3.87Å; Y515-I566 HydrophobicContact CD2-CD1 4.48Å; F517-I566 HydrophobicContact CE2-CD1 3.84Å; F517-I566 HydrophobicContact CE2-CG2 3.93Å; F517-I566 HydrophobicContact CZ-CB 4.43Å; F517-I566 HydrophobicContact CZ-CD1 3.51Å; F517-I566 HydrophobicContact CZ-CG2 3.97Å; I559-I566 HydrophobicContact CD1-CG2 3.81Å; I559-I566 HydrophobicContact CG1-CG2 3.92Å; S560-I566 WeakPolarHBondContact O-CA 3.41Å; I561-I566 HydrophobicContact CG1-CG1 4.06Å; I566-V585 CarbonylContact O-C 3.59Å; I566-V585 WeakPolarHBondContact O-CA 3.37Å; I566-Y586 HydrophobicContact CD1-CD1 4.42Å; I566-Y586 PolarHBondContact N-O 2.87Å; I566-Y586 PolarHBondContact O-N 3.47Å
567	Y	97.7	Very high	95.7	Very high	29 Å²	29	40.6 Å²	40.6	11%	0.114	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	126.1	178.4	-69.6	-105.4	0	0	0	108.8	I317 I559 S560 L562 K565 I583 V585	I317-Y567 HydrophobicContact CD1-CD1 3.59Å; I317-Y567 HydrophobicContact CD1-CD2 3.94Å; I317-Y567 HydrophobicContact CD1-CE1 3.89Å; I317-Y567 HydrophobicContact CD1-CE2 4.23Å; I317-Y567 HydrophobicContact CD1-CG 3.63Å; I559-Y567 CarbonylContact C-O 3.49Å; I559-Y567 WeakPolarHBondContact CA-O 3.36Å; S560-Y567 PolarHBondContact N-O 3.38Å; S560-Y567 PolarHBondContact O-N 3.33Å; L562-Y567 HydrophobicContact CB-CD2 4.18Å; L562-Y567 HydrophobicContact CB-CE2 3.8Å; K565-Y567 HydrophobicContact CB-CE2 3.92Å; Y567-I583 HydrophobicContact CD1-CG2 3.83Å; Y567-V585 HydrophobicContact CD1-CG1 4.36Å; Y567-V585 HydrophobicContact CD1-CG2 3.52Å; Y567-V585 HydrophobicContact CD2-CG1 4.44Å; Y567-V585 HydrophobicContact CE1-CB 4.43Å; Y567-V585 HydrophobicContact CE1-CG1 4.04Å; Y567-V585 HydrophobicContact CE1-CG2 3.48Å; Y567-V585 VanDerWaalsContact CE1-CG2 3.48Å; Y567-V585 HydrophobicContact CE2-CG1 4.12Å; Y567-V585 HydrophobicContact CG-CG2 4.27Å
568	L	97.6	Very high	95.7	Very high	2 Å²	2	46.3 Å²	46.3	1%	0.01	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	115.7	176.6	-170.2	68.9	0	0	0	108.6	C506 F517 L550 V554 A557 G558 I559 I583 Q584 W593	C506-L568 HydrophobicContact CB-CD1 4.02Å; F517-L568 HydrophobicContact CB-CD2 4.48Å; L550-L568 HydrophobicContact CD1-CD2 4.16Å; L550-L568 HydrophobicContact CD2-CD2 3.68Å; V554-L568 HydrophobicContact CG2-CD2 3.51Å; V554-L568 HydrophobicContact CG2-CG 3.98Å; A557-L568 HydrophobicContact CB-CD1 3.79Å; A557-L568 HydrophobicContact CB-CG 4.07Å; G558-L568 WeakPolarHBondContact O-CA 3.47Å; I559-L568 HydrophobicContact CB-CD1 4.35Å; L568-I583 WeakPolarHBondContact O-CA 3.22Å; L568-Q584 HydrophobicContact CB-CB 4.42Å; L568-Q584 PolarHBondContact N-O 2.83Å; L568-Q584 PolarHBondContact O-N 3.32Å; L568-W593 HydrophobicContact CB-CZ3 4.43Å
569	L	97.2	Very high	95.7	Very high	1 Å²	1	47.5 Å²	47.5	1%	0.005	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	122.8	-165.6	-60.8	90.7	0	0	0	111.7	I317 T319 W344 G558 I583 L599 C608	I317-L569 HydrophobicContact CG2-CD2 4.21Å; T319-L569 HydrophobicContact CG2-CD2 4.02Å; W344-L569 HydrophobicContact CH2-CD2 3.79Å; W344-L569 HydrophobicContact CZ2-CD2 3.8Å; G558-L569 PolarHBondContact N-O 3.33Å; G558-L569 PolarHBondContact O-N 2.97Å; L569-I583 HydrophobicContact CD2-CD1 3.84Å; L569-I583 HydrophobicContact CD2-CG1 4.12Å; L569-I583 HydrophobicContact CG-CD1 4.33Å; L569-I583 HydrophobicContact CG-CG1 4.09Å; L569-I583 HydrophobicContact CG-CG2 4.26Å; L569-L599 HydrophobicContact CB-CD1 4.38Å; L569-L599 HydrophobicContact CB-CD2 4.45Å; L569-L599 HydrophobicContact CD2-CD2 4.04Å; L569-C608 HydrophobicContact CD1-CB 4.19Å
570	G	95.9	Very high	95.6	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	24%	0.241	C	C	.	.			trans	63.1	-141.1	172.7	0	0	0	0	0	114	V554 A557 K580 C582	V554-G570 WeakPolarHBondContact CG1-O 3.45Å; A557-G570 WeakPolarHBondContact CB-O 3.21Å; G570-K580 VanDerWaalsContact CA-O 3.32Å; G570-K580 WeakPolarHBondContact CA-O 3.1Å; G570-C582 PolarHBondContact N-O 2.86Å
571	G	95.6	Very high	95.6	Very high	0 Å²	0	50.5 Å²	50.5	0%	0	25%	0.253	C	S	.	.			trans	94.8	-179.5	-178	0	0	0	0	0	114.4	S555 Y579 K580 T603	S555-G571 CarbonylContact O-C 3.51Å; S555-G571 VanDerWaalsContact O-CA 3.31Å; S555-G571 WeakPolarHBondContact O-CA 3.2Å; G571-Y579 WeakPolarHBondContact O-CA 3.35Å; G571-K580 PolarHBondContact O-N 3.12Å; G571-T603 PolarHBondContact N-O 2.89Å
572	W	96	Very high	95.6	Very high	65 Å²	65	48.2 Å²	48.2	25%	0.246	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	124.9	-177.9	174	-103.2	0	0	0	110.1	V554 S555 E574 K577 Y579 V604	V554-W572 CarbonylContact C-O 3.59Å; V554-W572 WeakPolarHBondContact CA-O 3.48Å; S555-W572 PolarHBondContact N-O 2.61Å; S555-W572 PolarHBondContact O-N 2.92Å; S555-W572 PolarHBondContact OG-O 3.09Å; S555-W572 VanDerWaalsContact OG-O 3.08Å; W572-E574 VanDerWaalsContact CD1-CD 3.48Å; W572-E574 PolarHBondContact NE1-OE1 3.21Å; W572-E574 PolarHBondContact NE1-OE2 2.91Å; W572-E574 VanDerWaalsContact NE1-OE2 3.15Å; W572-K577 HydrophobicContact CH2-CB 3.94Å; W572-K577 WeakPolarHBondContact CH2-O 3.41Å; W572-K577 HydrophobicContact CZ2-CB 3.95Å; W572-K577 HydrophobicContact CZ2-CD 3.85Å; W572-K577 WeakPolarHBondContact CZ3-O 3.28Å; W572-Y579 AromaticContact CE3-CD1 3.43Å; W572-Y579 HydrophobicContact CE3-CD1 3.43Å; W572-Y579 VanDerWaalsContact CE3-CD1 3.43Å; W572-Y579 AromaticContact CE3-CE1 3.64Å; W572-Y579 HydrophobicContact CE3-CE1 3.64Å; W572-Y579 AromaticContact CZ3-CD1 3.58Å; W572-Y579 HydrophobicContact CZ3-CD1 3.58Å; W572-Y579 AromaticContact CZ3-CE1 3.57Å; W572-Y579 HydrophobicContact CZ3-CE1 3.57Å; W572-V604 HydrophobicContact CB-CG1 3.94Å
573	N	97.3	Very high	95.7	Very high	12 Å²	12	47 Å²	47	6%	0.064	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97	121.8	172.1	176.1	-91.4	0	0	0	109.7	D530 G553 G575 E576 K577 K578 K580	D530-N573 PolarHBondContact OD2-ND2 3.16Å; G553-N573 WeakPolarHBondContact O-CB 3.45Å; G553-N573 PolarHBondContact O-ND2 2.95Å; N573-G575 PolarHBondContact OD1-N 2.9Å; N573-E576 VanDerWaalsContact OD1-CB 3.28Å; N573-E576 WeakPolarHBondContact OD1-CB 3.2Å; N573-E576 WeakPolarHBondContact OD1-CG 3.36Å; N573-E576 PolarHBondContact OD1-N 2.88Å; N573-K577 WeakPolarHBondContact O-CA 3.42Å; N573-K577 PolarHBondContact O-N 3.07Å; N573-K577 VanDerWaalsContact O-N 3.07Å; N573-K578 PolarHBondContact N-O 3.29Å; N573-K578 PolarHBondContact O-N 3.01Å; N573-K580 HydrophobicContact CB-CD 3.81Å; N573-K580 HydrophobicContact CB-CG 3.76Å
574	E	95.3	Very high	95.9	Very high	12 Å²	12	41 Å²	41	6%	0.056	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.4	-28.8	-178.6	-69.7	-68.2	172.6	0	0	113.3	R528 D530 W572 K577	R528-E574 WeakPolarHBondContact CD-OE1 3.44Å; R528-E574 HydrophobicContact CG-CG 4.01Å; R528-E574 IonicContact CZ-OE1 2.85Å; R528-E574 VanDerWaalsContact CZ-OE1 3.26Å; R528-E574 IonicContact NE-OE1 2.71Å; R528-E574 PolarHBondContact NE-OE1 2.82Å; R528-E574 IonicContact NH1-OE1 3.4Å; R528-E574 IonicContact NH2-OE1 3.67Å; D530-E574 VanDerWaalsContact CG-N 3.3Å; D530-E574 WeakPolarHBondContact OD1-CB 3.17Å; D530-E574 PolarHBondContact OD1-N 2.95Å; D530-E574 PolarHBondContact OD2-N 3Å; W572-E574 VanDerWaalsContact CD1-CD 3.48Å; W572-E574 PolarHBondContact NE1-OE1 3.21Å; W572-E574 PolarHBondContact NE1-OE2 2.91Å; W572-E574 VanDerWaalsContact NE1-OE2 3.15Å; E574-K577 VanDerWaalsContact O-CD 3.22Å; E574-K577 WeakPolarHBondContact O-CD 3.36Å; E574-K577 WeakPolarHBondContact O-CE 3.3Å; E574-K577 PolarHBondContact O-NZ 2.67Å; E574-K577 IonicContact OE2-NZ 3.19Å; E574-K577 PolarHBondContact OE2-NZ 3.14Å
575	G	91.7	Very high	96	Very high	67 Å²	67	36.1 Å²	36.1	69%	0.691	18%	0.178	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.9	-47.9	177.6	0	0	0	0	0	113.6	D530 N573	D530-G575 PolarHBondContact OD2-N 2.79Å; N573-G575 PolarHBondContact OD1-N 2.9Å
576	E	94.3	Very high	96.1	Very high	98 Å²	98	32.6 Å²	32.6	46%	0.458	16%	0.162	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.8	-15.4	-179.6	-66.1	173.2	-155.7	0	0	113.4	N573 K578 K580	N573-E576 VanDerWaalsContact OD1-CB 3.28Å; N573-E576 WeakPolarHBondContact OD1-CB 3.2Å; N573-E576 WeakPolarHBondContact OD1-CG 3.36Å; N573-E576 PolarHBondContact OD1-N 2.88Å; E576-K578 VanDerWaalsContact C-N 3.33Å; E576-K578 HydrophobicContact CB-CB 4.16Å; E576-K578 HydrophobicContact CB-CD 4.41Å; E576-K578 HydrophobicContact CB-CG 4.41Å; E576-K578 PolarHBondContact O-N 2.75Å; E576-K580 IonicContact OE1-NZ 3.82Å; E576-K580 PolarHBondContact OE1-NZ 2.92Å; E576-K580 IonicContact OE2-NZ 2.91Å; E576-K580 PolarHBondContact OE2-NZ 2.97Å
577	K	93.6	Very high	96.1	Very high	108 Å²	108	33.8 Å²	33.8	47%	0.47	17%	0.169	S	C	.	.	T	Hydrogen-bonded Turn	trans	53	47.3	-169.1	-55.9	-61.5	-179.3	-148.2	0	112.2	R528 W572 N573 E574	R528-K577 PolarHBondContact O-NZ 3.49Å; W572-K577 HydrophobicContact CH2-CB 3.94Å; W572-K577 WeakPolarHBondContact CH2-O 3.41Å; W572-K577 HydrophobicContact CZ2-CB 3.95Å; W572-K577 HydrophobicContact CZ2-CD 3.85Å; W572-K577 WeakPolarHBondContact CZ3-O 3.28Å; N573-K577 WeakPolarHBondContact O-CA 3.42Å; N573-K577 PolarHBondContact O-N 3.07Å; N573-K577 VanDerWaalsContact O-N 3.07Å; E574-K577 VanDerWaalsContact O-CD 3.22Å; E574-K577 WeakPolarHBondContact O-CD 3.36Å; E574-K577 WeakPolarHBondContact O-CE 3.3Å; E574-K577 PolarHBondContact O-NZ 2.67Å; E574-K577 IonicContact OE2-NZ 3.19Å; E574-K577 PolarHBondContact OE2-NZ 3.14Å
578	K	95	Very high	96	Very high	130 Å²	130	33.4 Å²	33.4	57%	0.565	17%	0.17	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-138.1	156.9	-175	-76.2	179	-176.1	176.5	0	112.8	N573 E576	N573-K578 PolarHBondContact N-O 3.29Å; N573-K578 PolarHBondContact O-N 3.01Å; E576-K578 VanDerWaalsContact C-N 3.33Å; E576-K578 HydrophobicContact CB-CB 4.16Å; E576-K578 HydrophobicContact CB-CD 4.41Å; E576-K578 HydrophobicContact CB-CG 4.41Å; E576-K578 PolarHBondContact O-N 2.75Å
579	Y	95.3	Very high	95.9	Very high	27 Å²	27	39.7 Å²	39.7	11%	0.106	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	136.3	172.2	-62	25.3	0	0	0	105.8	R323 A325 E328 G571 W572 A602 V604	R323-Y579 PolarHBondContact NH1-OH 2.86Å; R323-Y579 PolarHBondContact NH2-OH 3.15Å; R323-Y579 WeakPolarHBondContact O-CE2 3.41Å; A325-Y579 HydrophobicContact CB-CD2 3.65Å; A325-Y579 HydrophobicContact CB-CE2 4.23Å; A325-Y579 HydrophobicContact CB-CG 4Å; E328-Y579 VanDerWaalsContact CD-OH 3.23Å; E328-Y579 HydrophobicContact CG-CE2 4.36Å; E328-Y579 WeakPolarHBondContact OE1-CE1 3.5Å; E328-Y579 PolarHBondContact OE1-OH 2.65Å; G571-Y579 WeakPolarHBondContact O-CA 3.35Å; W572-Y579 AromaticContact CE3-CD1 3.43Å; W572-Y579 HydrophobicContact CE3-CD1 3.43Å; W572-Y579 VanDerWaalsContact CE3-CD1 3.43Å; W572-Y579 AromaticContact CE3-CE1 3.64Å; W572-Y579 HydrophobicContact CE3-CE1 3.64Å; W572-Y579 AromaticContact CZ3-CD1 3.58Å; W572-Y579 HydrophobicContact CZ3-CD1 3.58Å; W572-Y579 AromaticContact CZ3-CE1 3.57Å; W572-Y579 HydrophobicContact CZ3-CE1 3.57Å; Y579-A602 WeakPolarHBondContact O-CB 3.42Å; Y579-V604 HydrophobicContact CD1-CG1 3.87Å; Y579-V604 HydrophobicContact CD2-CB 4.38Å; Y579-V604 HydrophobicContact CD2-CG1 3.66Å; Y579-V604 HydrophobicContact CD2-CG2 4.05Å; Y579-V604 HydrophobicContact CE1-CG1 4.25Å; Y579-V604 HydrophobicContact CE2-CB 4.46Å; Y579-V604 HydrophobicContact CE2-CG1 4.06Å; Y579-V604 HydrophobicContact CE2-CG2 3.65Å; Y579-V604 HydrophobicContact CG-CG1 3.58Å
580	K	96.2	Very high	95.9	Very high	35 Å²	35	44.8 Å²	44.8	15%	0.152	23%	0.23	C	C	.	.			trans	-100	152.2	178.8	-54.5	-63.4	-69.8	-164.6	0	110.3	T552 V554 G570 G571 N573 E576 A602	T552-K580 HydrophobicContact CG2-CD 4.37Å; T552-K580 HydrophobicContact CG2-CG 4.21Å; V554-K580 HydrophobicContact CG1-CB 4.44Å; V554-K580 HydrophobicContact CG1-CG 4.16Å; G570-K580 VanDerWaalsContact CA-O 3.32Å; G570-K580 WeakPolarHBondContact CA-O 3.1Å; G571-K580 PolarHBondContact O-N 3.12Å; N573-K580 HydrophobicContact CB-CD 3.81Å; N573-K580 HydrophobicContact CB-CG 3.76Å; E576-K580 IonicContact OE1-NZ 3.82Å; E576-K580 PolarHBondContact OE1-NZ 2.92Å; E576-K580 IonicContact OE2-NZ 2.91Å; E576-K580 PolarHBondContact OE2-NZ 2.97Å; K580-A602 WeakPolarHBondContact O-CA 3.5Å
581	K	95.9	Very high	95.9	Very high	74 Å²	74	48 Å²	48	32%	0.322	25%	0.248	S	C	.	.			trans	-98.4	-13.7	167.7	-61.9	-175.2	165.9	-151.7	0	113.2	E598 L599 P600 A602	K581-E598 HydrophobicContact CB-CB 3.83Å; K581-E598 HydrophobicContact CB-CG 4Å; K581-E598 HydrophobicContact CD-CB 4.36Å; K581-E598 WeakPolarHBondContact CD-OE2 3.47Å; K581-L599 HydrophobicContact CB-CB 4.39Å; K581-L599 WeakPolarHBondContact CD-O 3.45Å; K581-L599 PolarHBondContact O-N 3.18Å; K581-P600 PolarHBondContact NZ-O 3.25Å; K581-A602 HydrophobicContact CG-CB 3.7Å
582	C	95.8	Very high	96	Very high	14 Å²	14	53.3 Å²	53.3	10%	0.095	27%	0.272	C	S	.	.			trans	-57	142.7	-169.3	58.8	0	0	0	0	112.5	G570	G570-C582 PolarHBondContact N-O 2.86Å
583	I	96.9	Very high	96.1	Very high	1 Å²	1	50.9 Å²	50.9	1%	0.005	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	109.1	164.3	-60.3	-176.6	0	0	0	106.5	W344 Y567 L568 L569 V585 D596 D597 L599	W344-I583 HydrophobicContact CZ2-CD1 3.75Å; Y567-I583 HydrophobicContact CD1-CG2 3.83Å; L568-I583 WeakPolarHBondContact O-CA 3.22Å; L569-I583 HydrophobicContact CD2-CD1 3.84Å; L569-I583 HydrophobicContact CD2-CG1 4.12Å; L569-I583 HydrophobicContact CG-CD1 4.33Å; L569-I583 HydrophobicContact CG-CG1 4.09Å; L569-I583 HydrophobicContact CG-CG2 4.26Å; I583-V585 HydrophobicContact CG2-CG2 4.1Å; I583-D596 HydrophobicContact CB-CB 4.38Å; I583-D596 HydrophobicContact CG2-CB 4.21Å; I583-D596 PolarHBondContact O-N 2.98Å; I583-D597 VanDerWaalsContact CB-O 3.3Å; I583-D597 WeakPolarHBondContact CB-O 3.33Å; I583-D597 WeakPolarHBondContact CD1-O 3.48Å; I583-D597 WeakPolarHBondContact CG1-O 3.31Å; I583-L599 HydrophobicContact CD1-CD2 4.46Å; I583-L599 HydrophobicContact CG1-CG 4.46Å
584	Q	97.6	Very high	96.1	Very high	1 Å²	1	54 Å²	54	1%	0.005	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	126.6	176.3	-67.7	178.7	93.7	0	0	108.5	T552 L568 W593	T552-Q584 PolarHBondContact O-NE2 3.25Å; T552-Q584 PolarHBondContact O-OE1 2.79Å; L568-Q584 HydrophobicContact CB-CB 4.42Å; L568-Q584 PolarHBondContact N-O 2.83Å; L568-Q584 PolarHBondContact O-N 3.32Å; Q584-W593 HydrophobicContact CB-CE3 3.79Å; Q584-W593 HydrophobicContact CB-CZ3 3.82Å
585	V	97.9	Very high	96.1	Very high	5 Å²	5	59.4 Å²	59.4	3%	0.03	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	118.4	-175.6	-172.4	0	0	0	0	109.4	K565 I566 Y567 I583 W593 T594 D596	K565-V585 HydrophobicContact CB-CG1 3.84Å; K565-V585 HydrophobicContact CD-CG1 3.96Å; K565-V585 HydrophobicContact CG-CG1 4.47Å; I566-V585 CarbonylContact O-C 3.59Å; I566-V585 WeakPolarHBondContact O-CA 3.37Å; Y567-V585 HydrophobicContact CD1-CG1 4.36Å; Y567-V585 HydrophobicContact CD1-CG2 3.52Å; Y567-V585 HydrophobicContact CD2-CG1 4.44Å; Y567-V585 HydrophobicContact CE1-CB 4.43Å; Y567-V585 HydrophobicContact CE1-CG1 4.04Å; Y567-V585 HydrophobicContact CE1-CG2 3.48Å; Y567-V585 VanDerWaalsContact CE1-CG2 3.48Å; Y567-V585 HydrophobicContact CE2-CG1 4.12Å; Y567-V585 HydrophobicContact CG-CG2 4.27Å; I583-V585 HydrophobicContact CG2-CG2 4.1Å; V585-W593 WeakPolarHBondContact O-CA 3.03Å; V585-T594 PolarHBondContact N-O 3.14Å; V585-T594 PolarHBondContact O-N 2.77Å; V585-T594 PolarHBondContact O-OG1 3.22Å; V585-D596 HydrophobicContact CG2-CB 3.71Å
586	Y	98.1	Very high	96.1	Very high	3 Å²	3	57.7 Å²	57.7	1%	0.012	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	128.9	175.7	179.7	-112	0	0	0	110.8	Y515 F517 C547 K565 I566 P588 N591 E592 W593	Y515-Y586 AromaticContact CD1-CE1 3.97Å; Y515-Y586 HydrophobicContact CD1-CE1 3.97Å; Y515-Y586 AromaticContact CE1-CE1 3.76Å; Y515-Y586 HydrophobicContact CE1-CE1 3.76Å; F517-Y586 HydrophobicContact CE1-CD1 4.17Å; F517-Y586 HydrophobicContact CE1-CG 4.39Å; F517-Y586 HydrophobicContact CZ-CD1 4.3Å; C547-Y586 HydrophobicContact CB-CE2 4.44Å; C547-Y586 WeakPolarHBondContact CB-OH 3.42Å; K565-Y586 WeakPolarHBondContact CA-O 3.27Å; I566-Y586 HydrophobicContact CD1-CD1 4.42Å; I566-Y586 PolarHBondContact N-O 2.87Å; I566-Y586 PolarHBondContact O-N 3.47Å; Y586-P588 HydrophobicContact CD1-CB 4.45Å; Y586-P588 HydrophobicContact CE1-CB 3.88Å; Y586-N591 PolarHBondContact OH-OD1 3Å; Y586-E592 WeakPolarHBondContact CA-O 3.31Å; Y586-E592 WeakPolarHBondContact CD2-O 3.42Å; Y586-W593 AromaticContact CD2-CD1 3.99Å; Y586-W593 AromaticContact CD2-CD2 3.99Å; Y586-W593 HydrophobicContact CD2-CD2 3.99Å; Y586-W593 AromaticContact CD2-CE2 3.58Å; Y586-W593 HydrophobicContact CD2-CG 4.22Å; Y586-W593 AromaticContact CD2-CZ2 3.95Å; Y586-W593 HydrophobicContact CD2-CZ2 3.95Å; Y586-W593 AromaticContact CD2-NE1 3.58Å; Y586-W593 HydrophobicContact CG-CD2 4.39Å; Y586-W593 HydrophobicContact CG-CH2 4.32Å; Y586-W593 AromaticContact CG-CZ2 3.97Å; Y586-W593 HydrophobicContact CG-CZ2 3.97Å
587	N	97.2	Very high	96	Very high	25 Å²	25	56.7 Å²	56.7	13%	0.134	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	109.5	169.5	-173	-7.5	0	0	0	109.4	D589 L590 N591 E592	N587-D589 VanDerWaalsContact C-N 3.28Å; N587-D589 PolarHBondContact O-N 2.75Å; N587-D589 PolarHBondContact OD1-N 3.25Å; N587-D589 VanDerWaalsContact OD1-N 3.13Å; N587-L590 HydrophobicContact CB-CB 4.39Å; N587-L590 WeakPolarHBondContact ND2-CD1 3.47Å; N587-L590 WeakPolarHBondContact ND2-CG 3.42Å; N587-L590 PolarHBondContact O-N 2.75Å; N587-N591 WeakPolarHBondContact O-CA 3.48Å; N587-N591 PolarHBondContact O-N 3.07Å; N587-E592 PolarHBondContact N-O 3.1Å; N587-E592 PolarHBondContact O-N 2.87Å
588	P	95.4	Very high	96.1	Very high	22 Å²	22	57 Å²	57	14%	0.143	28%	0.284	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.2	-27.6	-179.6	29.7	-36.2	0	0	0	113.2	I510 N564 Y586 N591	I510-P588 HydrophobicContact CD1-CG 4.01Å; I510-P588 HydrophobicContact CG2-CB 4.36Å; I510-P588 HydrophobicContact CG2-CG 4.3Å; N564-P588 VanDerWaalsContact O-CD 3.28Å; N564-P588 WeakPolarHBondContact O-CD 3.34Å; N564-P588 WeakPolarHBondContact O-CG 3.48Å; Y586-P588 HydrophobicContact CD1-CB 4.45Å; Y586-P588 HydrophobicContact CE1-CB 3.88Å; P588-N591 PolarHBondContact O-N 3.48Å
589	D	95.5	Very high	96.1	Very high	133 Å²	133	51 Å²	51	71%	0.711	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.4	-33	-177.3	-59.3	-31.6	0	0	0	112	N587	N587-D589 VanDerWaalsContact C-N 3.28Å; N587-D589 PolarHBondContact O-N 2.75Å; N587-D589 PolarHBondContact OD1-N 3.25Å; N587-D589 VanDerWaalsContact OD1-N 3.13Å
590	L	96.6	Very high	96	Very high	109 Å²	109	53.2 Å²	53.2	57%	0.571	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.9	-17	174.6	-60.6	180	0	0	0	112.7	N587 E592	N587-L590 HydrophobicContact CB-CB 4.39Å; N587-L590 WeakPolarHBondContact ND2-CD1 3.47Å; N587-L590 WeakPolarHBondContact ND2-CG 3.42Å; N587-L590 PolarHBondContact O-N 2.75Å; L590-E592 HydrophobicContact CB-CB 4.18Å; L590-E592 HydrophobicContact CB-CG 4.23Å
591	N	97.1	Very high	95.8	Very high	68 Å²	68	53.8 Å²	53.8	36%	0.364	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	53.5	50.3	-168	179.2	51.8	0	0	0	111.7	C547 A548 Y586 N587 P588	C547-N591 VanDerWaalsContact CA-OD1 3.23Å; C547-N591 WeakPolarHBondContact CA-OD1 3.38Å; C547-N591 VanDerWaalsContact CB-OD1 3.29Å; C547-N591 WeakPolarHBondContact CB-OD1 3.35Å; A548-N591 WeakPolarHBondContact CB-O 3.32Å; A548-N591 PolarHBondContact N-OD1 3.34Å; Y586-N591 PolarHBondContact OH-OD1 3Å; N587-N591 WeakPolarHBondContact O-CA 3.48Å; N587-N591 PolarHBondContact O-N 3.07Å; P588-N591 PolarHBondContact O-N 3.48Å
592	E	97.4	Very high	95.8	Very high	111 Å²	111	50.8 Å²	50.8	52%	0.519	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	153.6	-175.5	-74.9	179.5	171.2	0	0	112.1	Y586 N587 L590	Y586-E592 WeakPolarHBondContact CA-O 3.31Å; Y586-E592 WeakPolarHBondContact CD2-O 3.42Å; N587-E592 PolarHBondContact N-O 3.1Å; N587-E592 PolarHBondContact O-N 2.87Å; L590-E592 HydrophobicContact CB-CB 4.18Å; L590-E592 HydrophobicContact CB-CG 4.23Å
593	W	97.9	Very high	95.7	Very high	14 Å²	14	50.7 Å²	50.7	5%	0.053	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	137.9	173.2	-71	93.2	0	0	0	111.3	F517 V534 A548 P549 L550 H551 L568 Q584 V585 Y586	F517-W593 AromaticContact CD1-CH2 3.63Å; F517-W593 HydrophobicContact CD1-CH2 3.63Å; F517-W593 AromaticContact CD1-CZ2 3.52Å; F517-W593 HydrophobicContact CD1-CZ2 3.52Å; F517-W593 AromaticContact CE1-CH2 3.86Å; F517-W593 HydrophobicContact CE1-CH2 3.86Å; F517-W593 AromaticContact CE1-CZ2 3.67Å; F517-W593 HydrophobicContact CE1-CZ2 3.67Å; F517-W593 HydrophobicContact CG-CH2 4.48Å; V534-W593 HydrophobicContact CG2-CZ2 3.92Å; A548-W593 PolarHBondContact O-NE1 3Å; P549-W593 PolarHBondContact O-NE1 2.73Å; L550-W593 HydrophobicContact CD2-CD2 4.07Å; L550-W593 HydrophobicContact CD2-CE3 3.99Å; L550-W593 HydrophobicContact CD2-CH2 3.37Å; L550-W593 HydrophobicContact CD2-CZ2 3.46Å; L550-W593 VanDerWaalsContact CD2-CZ2 3.46Å; L550-W593 HydrophobicContact CD2-CZ3 3.64Å; L550-W593 HydrophobicContact CG-CH2 4.36Å; L550-W593 HydrophobicContact CG-CZ2 4.04Å; H551-W593 PolarHBondContact CE1-O 3.01Å; L568-W593 HydrophobicContact CB-CZ3 4.43Å; Q584-W593 HydrophobicContact CB-CE3 3.79Å; Q584-W593 HydrophobicContact CB-CZ3 3.82Å; V585-W593 WeakPolarHBondContact O-CA 3.03Å; Y586-W593 AromaticContact CD2-CD1 3.99Å; Y586-W593 AromaticContact CD2-CD2 3.99Å; Y586-W593 HydrophobicContact CD2-CD2 3.99Å; Y586-W593 AromaticContact CD2-CE2 3.58Å; Y586-W593 HydrophobicContact CD2-CG 4.22Å; Y586-W593 AromaticContact CD2-CZ2 3.95Å; Y586-W593 HydrophobicContact CD2-CZ2 3.95Å; Y586-W593 AromaticContact CD2-NE1 3.58Å; Y586-W593 HydrophobicContact CG-CD2 4.39Å; Y586-W593 HydrophobicContact CG-CH2 4.32Å; Y586-W593 AromaticContact CG-CZ2 3.97Å; Y586-W593 HydrophobicContact CG-CZ2 3.97Å
594	T	97.4	Very high	95.5	Very high	78 Å²	78	51 Å²	51	48%	0.479	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	143.5	169.3	55.8	0	0	0	0	109.8	V585	V585-T594 PolarHBondContact N-O 3.14Å; V585-T594 PolarHBondContact O-N 2.77Å; V585-T594 PolarHBondContact O-OG1 3.22Å
595	E	95.1	Very high	95.2	Very high	124 Å²	124	51.2 Å²	51.2	58%	0.579	27%	0.271	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-82.4	141.8	167.4	-62.2	-172.2	158.9	0	0	109.8
596	D	93	Very high	95	Very high	32 Å²	32	51.5 Å²	51.5	17%	0.171	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	179.2	175.4	-166	3.9	0	0	0	108.1	R338 K342 I583 V585	R338-D596 IonicContact CZ-OD1 3.25Å; R338-D596 IonicContact CZ-OD2 2.77Å; R338-D596 IonicContact NH1-OD1 2.66Å; R338-D596 IonicContact NH1-OD2 2.67Å; R338-D596 PolarHBondContact NH1-OD2 3.35Å; R338-D596 IonicContact NH2-OD1 2.69Å; R338-D596 PolarHBondContact NH2-OD1 2.8Å; R338-D596 IonicContact NH2-OD2 2.68Å; R338-D596 PolarHBondContact NH2-OD2 3.46Å; K342-D596 IonicContact NZ-OD1 3.26Å; K342-D596 PolarHBondContact NZ-OD1 2.98Å; I583-D596 HydrophobicContact CB-CB 4.38Å; I583-D596 HydrophobicContact CG2-CB 4.21Å; I583-D596 PolarHBondContact O-N 2.98Å; V585-D596 HydrophobicContact CG2-CB 3.71Å
597	D	91.9	Very high	94.9	Very high	77 Å²	77	51.9 Å²	51.9	41%	0.412	28%	0.275	S	S	.	.	P	Polyproline II helix	trans	-57.2	160.8	-175.3	-47.9	-49.4	0	0	0	113.6	R338 K342 I583	R338-D597 IonicContact CZ-OD2 3.63Å; R338-D597 IonicContact NH2-OD2 2.98Å; R338-D597 PolarHBondContact NH2-OD2 3.38Å; K342-D597 VanDerWaalsContact CB-OD2 3.26Å; K342-D597 WeakPolarHBondContact CB-OD2 3.45Å; K342-D597 WeakPolarHBondContact CD-OD2 3.45Å; K342-D597 IonicContact NZ-OD2 3.79Å; I583-D597 VanDerWaalsContact CB-O 3.3Å; I583-D597 WeakPolarHBondContact CB-O 3.33Å; I583-D597 WeakPolarHBondContact CD1-O 3.48Å; I583-D597 WeakPolarHBondContact CG1-O 3.31Å
598	E	94.7	Very high	94.8	Very high	114 Å²	114	51.3 Å²	51.3	53%	0.533	27%	0.273	S	S	.	.	P	Polyproline II helix	trans	-80	155.6	-176.7	-70.3	-160.8	145.4	0	0	114.5	W344 K581	W344-E598 PolarHBondContact NE1-O 3.4Å; K581-E598 HydrophobicContact CB-CB 3.83Å; K581-E598 HydrophobicContact CB-CG 4Å; K581-E598 HydrophobicContact CD-CB 4.36Å; K581-E598 WeakPolarHBondContact CD-OE2 3.47Å
599	L	95.4	Very high	94.9	Very high	4 Å²	4	50.7 Å²	50.7	2%	0.021	27%	0.269	C	S	.	.	P	Polyproline II helix	trans	-61	147.9	159.4	-69.4	174.4	0	0	0	110.6	T319 W344 L569 K581 I583 E601 I606	T319-L599 HydrophobicContact CG2-CD2 3.96Å; W344-L599 HydrophobicContact CH2-CD2 4.23Å; W344-L599 HydrophobicContact CZ2-CD2 3.69Å; L569-L599 HydrophobicContact CB-CD1 4.38Å; L569-L599 HydrophobicContact CB-CD2 4.45Å; L569-L599 HydrophobicContact CD2-CD2 4.04Å; K581-L599 HydrophobicContact CB-CB 4.39Å; K581-L599 WeakPolarHBondContact CD-O 3.45Å; K581-L599 PolarHBondContact O-N 3.18Å; I583-L599 HydrophobicContact CD1-CD2 4.46Å; I583-L599 HydrophobicContact CG1-CG 4.46Å; L599-E601 VanDerWaalsContact C-N 3.26Å; L599-E601 PolarHBondContact O-N 2.74Å; L599-I606 HydrophobicContact CD1-CD1 4.4Å
600	P	93.6	Very high	95	Very high	73 Å²	73	46 Å²	46	47%	0.474	25%	0.245	S	C	.	.	S	Bend	trans	-57	-42.2	178.3	-24.8	35.9	0	0	0	112	L336 W344 K581	L336-P600 HydrophobicContact CD1-CG 4.46Å; W344-P600 HydrophobicContact CB-CG 3.51Å; W344-P600 HydrophobicContact CG-CG 3.68Å; K581-P600 PolarHBondContact NZ-O 3.25Å
601	E	92.4	Very high	94.9	Very high	48 Å²	48	40.9 Å²	40.9	22%	0.224	22%	0.219	C	C	.	.	S	Bend	trans	-130.6	144.1	177	-157.8	-178.1	151.1	0	0	111.2	P324 A325 L326 L599 T603	P324-E601 HydrophobicContact CB-CB 4.38Å; P324-E601 HydrophobicContact CB-CG 3.99Å; P324-E601 WeakPolarHBondContact CB-OE1 3.26Å; P324-E601 WeakPolarHBondContact CB-OE2 3.49Å; A325-E601 PolarHBondContact N-OE1 3.15Å; L326-E601 WeakPolarHBondContact CA-OE1 3.4Å; L326-E601 WeakPolarHBondContact CB-OE1 3.47Å; L326-E601 HydrophobicContact CD1-CG 4.17Å; L326-E601 HydrophobicContact CG-CG 4.21Å; L326-E601 WeakPolarHBondContact CG-OE1 3.2Å; L326-E601 PolarHBondContact N-OE1 3.03Å; L599-E601 VanDerWaalsContact C-N 3.26Å; L599-E601 PolarHBondContact O-N 2.74Å; E601-T603 PolarHBondContact O-N 2.71Å; E601-T603 PolarHBondContact O-OG1 2.99Å
602	A	95.1	Very high	94.7	Very high	11 Å²	11	39.8 Å²	39.8	9%	0.091	21%	0.214	C	C	.	.			trans	-67.9	122.9	177.5	0	0	0	0	0	109.1	P324 A325 Y579 K580 K581	P324-A602 CarbonylContact C-O 3.55Å; P324-A602 WeakPolarHBondContact CA-O 3.41Å; A325-A602 HydrophobicContact CB-CB 3.96Å; A325-A602 WeakPolarHBondContact CB-O 3.15Å; A325-A602 PolarHBondContact N-O 2.8Å; Y579-A602 WeakPolarHBondContact O-CB 3.42Å; K580-A602 WeakPolarHBondContact O-CA 3.5Å; K581-A602 HydrophobicContact CG-CB 3.7Å
603	T	93.6	Very high	94.5	Very high	11 Å²	11	35 Å²	35	7%	0.067	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140	139.6	-164.6	-54.6	0	0	0	0	111.4	P324 G571 E601 I606	P324-T603 HydrophobicContact CG-CG2 4.42Å; G571-T603 PolarHBondContact N-O 2.89Å; E601-T603 PolarHBondContact O-N 2.71Å; E601-T603 PolarHBondContact O-OG1 2.99Å; T603-I606 HydrophobicContact CG2-CB 4.02Å; T603-I606 HydrophobicContact CG2-CD1 3.96Å; T603-I606 HydrophobicContact CG2-CG1 4.3Å
604	V	93.4	Very high	94.1	Very high	8 Å²	8	36.2 Å²	36.2	5%	0.048	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	154.1	175.9	-59.8	0	0	0	0	111.5	R323 W572 Y579 I606	R323-V604 HydrophobicContact CB-CG2 4.07Å; R323-V604 PolarHBondContact N-O 2.81Å; R323-V604 PolarHBondContact O-N 2.91Å; R323-V604 VanDerWaalsContact O-N 3.14Å; W572-V604 HydrophobicContact CB-CG1 3.94Å; Y579-V604 HydrophobicContact CD1-CG1 3.87Å; Y579-V604 HydrophobicContact CD2-CB 4.38Å; Y579-V604 HydrophobicContact CD2-CG1 3.66Å; Y579-V604 HydrophobicContact CD2-CG2 4.05Å; Y579-V604 HydrophobicContact CE1-CG1 4.25Å; Y579-V604 HydrophobicContact CE2-CB 4.46Å; Y579-V604 HydrophobicContact CE2-CG1 4.06Å; Y579-V604 HydrophobicContact CE2-CG2 3.65Å; Y579-V604 HydrophobicContact CG-CG1 3.58Å; V604-I606 PolarHBondContact O-N 2.53Å
605	G	91.4	Very high	93.3	Very high	5 Å²	5	33.7 Å²	33.7	5%	0.052	19%	0.186	C	C	.	.	S	Bend	trans	63.7	27	-179.5	0	0	0	0	0	113	G322 N356 T556	G322-G605 WeakPolarHBondContact CA-O 3.3Å; N356-G605 PolarHBondContact N-O 2.78Å; N356-G605 VanDerWaalsContact OD1-CA 3.23Å; N356-G605 WeakPolarHBondContact OD1-CA 3.4Å; T556-G605 PolarHBondContact O-N 2.84Å
606	I	93.1	Very high	91.7	Very high	12 Å²	12	36.2 Å²	36.2	6%	0.062	19%	0.191	C	C	.	.			trans	-82.1	136.8	178.1	-162.4	169.8	0	0	0	109.1	T319 G558 L599 T603 V604	T319-I606 HydrophobicContact CG2-CD1 3.64Å; T319-I606 HydrophobicContact CG2-CG1 4.28Å; G558-I606 VanDerWaalsContact CA-O 3.31Å; G558-I606 WeakPolarHBondContact CA-O 3.39Å; L599-I606 HydrophobicContact CD1-CD1 4.4Å; T603-I606 HydrophobicContact CG2-CB 4.02Å; T603-I606 HydrophobicContact CG2-CD1 3.96Å; T603-I606 HydrophobicContact CG2-CG1 4.3Å; V604-I606 PolarHBondContact O-N 2.53Å
607	S	95.3	Very high	89.8	Confident	10 Å²	10	40.7 Å²	40.7	7%	0.07	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	144.5	174.6	-26.6	0	0	0	0	109.1	T319 V320 Q357 V359	T319-S607 WeakPolarHBondContact CA-O 3.46Å; V320-S607 PolarHBondContact N-O 3.08Å; V320-S607 PolarHBondContact O-N 3.15Å; Q357-S607 WeakPolarHBondContact CG-OG 3.47Å; Q357-S607 PolarHBondContact NE2-OG 2.72Å; Q357-S607 PolarHBondContact O-OG 3.42Å; V359-S607 VanDerWaalsContact CG1-CB 3.46Å
608	C	95.9	Very high	87.2	Confident	13 Å²	13	42.3 Å²	42.3	9%	0.088	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	151.1	179	-62.8	0	0	0	0	111.6	L318 V359 I559 L569	L318-C608 VanDerWaalsContact O-CA 3.26Å; L318-C608 WeakPolarHBondContact O-CA 3.45Å; V359-C608 VanDerWaalsContact CG2-O 3.28Å; V359-C608 WeakPolarHBondContact CG2-O 3.4Å; I559-C608 CarbonylContact O-C 3.59Å; I559-C608 WeakPolarHBondContact O-CB 3.27Å; I559-C608 VanDerWaalsContact O-O 3.13Å; L569-C608 HydrophobicContact CD1-CB 4.19Å
609	C	96.9	Very high	84.3	Confident	10 Å²	10	46.2 Å²	46.2	7%	0.068	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.2	172.9	176.2	62	0	0	0	0	109.8	L318 V359 V361 S560	L318-C609 PolarHBondContact N-O 3.36Å; L318-C609 PolarHBondContact O-N 3.18Å; V359-C609 HydrophobicContact CG2-CB 4.01Å; V361-C609 HydrophobicContact CG2-CB 3.85Å; S560-C609 WeakPolarHBondContact OG-CA 3.01Å; S560-C609 PolarHBondContact OG-O 3.3Å
610	V	96.9	Very high	81.1	Confident	33 Å²	33	54.5 Å²	54.5	20%	0.2	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	131.3	168.6	161.3	0	0	0	0	108.8	K315 V316 I317 S560 I561 L562	K315-V610 HydrophobicContact CB-CG1 4.38Å; V316-V610 VanDerWaalsContact O-CA 3.31Å; V316-V610 WeakPolarHBondContact O-CA 3.29Å; I317-V610 HydrophobicContact CB-CG2 4.47Å; I317-V610 HydrophobicContact CG1-CG2 3.78Å; S560-V610 PolarHBondContact OG-N 3.49Å; I561-V610 WeakPolarHBondContact O-CG2 3.46Å; L562-V610 HydrophobicContact CB-CG2 4.02Å; L562-V610 HydrophobicContact CD1-CG1 4.02Å; L562-V610 HydrophobicContact CD1-CG2 4.11Å
611	V	95.3	Very high	78	Confident	3 Å²	3	55.5 Å²	55.5	2%	0.018	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	159.3	174.9	84.7	0	0	0	0	110	K315 V316 L318 V361 P393 I613	K315-V611 WeakPolarHBondContact CA-O 3.44Å; V316-V611 HydrophobicContact CG2-CG1 4.4Å; V316-V611 PolarHBondContact N-O 3Å; V316-V611 PolarHBondContact O-N 3.15Å; V316-V611 VanDerWaalsContact O-N 3.17Å; L318-V611 HydrophobicContact CD1-CB 4.24Å; L318-V611 HydrophobicContact CD1-CG1 3.57Å; L318-V611 HydrophobicContact CD2-CG1 4.33Å; L318-V611 HydrophobicContact CG-CG1 3.92Å; V361-V611 HydrophobicContact CG1-CG2 4.21Å; V361-V611 HydrophobicContact CG2-CB 4.5Å; P393-V611 HydrophobicContact CG-CG2 4.04Å; V611-I613 HydrophobicContact CG1-CG2 3.72Å
612	T	93.6	Very high	74.9	Confident	45 Å²	45	65.7 Å²	65.7	28%	0.276	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	120.8	169	-54.7	0	0	0	0	109.3	V310 L314	V310-T612 HydrophobicContact CB-CG2 4.3Å; L314-T612 CarbonylContact O-C 3.56Å; L314-T612 VanDerWaalsContact O-CA 3.31Å; L314-T612 WeakPolarHBondContact O-CA 3.42Å
613	I	92.4	Very high	71.7	Confident	9 Å²	9	68.3 Å²	68.3	5%	0.046	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	152	175.1	64.2	170.2	0	0	0	111.1	G313 L314 V316 Y337 L347 P393 V611	G313-I613 CarbonylContact C-O 3.6Å; G313-I613 WeakPolarHBondContact CA-O 3.47Å; L314-I613 HydrophobicContact CB-CG1 4.18Å; L314-I613 PolarHBondContact N-O 3.33Å; L314-I613 PolarHBondContact O-N 3.24Å; V316-I613 HydrophobicContact CG1-CD1 4.06Å; V316-I613 HydrophobicContact CG1-CG1 4.18Å; V316-I613 HydrophobicContact CG2-CD1 3.94Å; V316-I613 HydrophobicContact CG2-CG1 3.93Å; V316-I613 HydrophobicContact CG2-CG2 3.9Å; Y337-I613 HydrophobicContact CD2-CD1 3.77Å; Y337-I613 HydrophobicContact CE2-CD1 3.76Å; Y337-I613 HydrophobicContact CG-CD1 4.23Å; L347-I613 HydrophobicContact CD2-CG2 4.29Å; P393-I613 HydrophobicContact CB-CG2 4.03Å; V611-I613 HydrophobicContact CG1-CG2 3.72Å
614	P	89.3	Confident	68.5	Low	41 Å²	41	72.5 Å²	72.5	27%	0.266	37%	0.366	S	S	.	.			trans	-61	140.8	170.2	-21.7	33.1	0	0	0	112.7	V310 P393 R616	V310-P614 HydrophobicContact CG1-CB 4.39Å; V310-P614 HydrophobicContact CG1-CG 4.41Å; V310-P614 HydrophobicContact CG2-CG 4.37Å; P393-P614 WeakPolarHBondContact O-CD 3.31Å; P614-R616 PolarHBondContact O-N 3.43Å
615	T	80.1	Confident	65.4	Low	24 Å²	24	78.4 Å²	78.4	15%	0.147	41%	0.408	C	S	.	.			trans	-69	105.6	172.8	36.6	0	0	0	0	111.2	G312 L314 K617	G312-T615 WeakPolarHBondContact O-CG2 3.32Å; L314-T615 HydrophobicContact CD1-CG2 4.17Å; L314-T615 HydrophobicContact CD2-CG2 3.99Å; L314-T615 HydrophobicContact CG-CG2 3.66Å; T615-K617 VanDerWaalsContact C-N 3.31Å
616	R	62.7	Low	62.4	Low	177 Å²	177	83.9 Å²	83.9	67%	0.668	44%	0.44	S	S	*	.			trans	-86.8	5.3	171.3	-65.2	-171	-177.9	177.2	3.6	114.1	P614 T618	P614-R616 PolarHBondContact O-N 3.43Å; R616-T618 PolarHBondContact O-N 3.01Å
617	K	52.3	Low	59.3	Low	126 Å²	126	89 Å²	89	55%	0.548	48%	0.477	S	S	.	.			trans	-70.1	74.4	173.5	-73.2	-177.3	175.7	177.8	0	109.7	E340 D341 T615 R619	E340-K617 IonicContact OE2-NZ 2.87Å; E340-K617 PolarHBondContact OE2-NZ 3.21Å; D341-K617 IonicContact OD2-NZ 3.89Å; T615-K617 VanDerWaalsContact C-N 3.31Å; K617-R619 PolarHBondContact O-N 3.03Å; K617-R619 VanDerWaalsContact O-N 3.12Å
618	T	37	Very low	56.1	Low	112 Å²	112	93.9 Å²	93.9	69%	0.687	51%	0.511	S	S	*	.			trans	-57.8	115.3	151.6	41.8	0	0	0	0	106.4	R616 E620	R616-T618 PolarHBondContact O-N 3.01Å; T618-E620 PolarHBondContact O-N 2.94Å
619	R	35	Very low	52.8	Low	196 Å²	196	97.2 Å²	97.2	74%	0.74	54%	0.539	S	S	*	.			trans	-62	91.5	167.2	-138.5	179.1	-179.7	-173.7	-0.6	105.4	N197 K617 S621	N197-R619 PolarHBondContact OD1-NH1 3.33Å; K617-R619 PolarHBondContact O-N 3.03Å; K617-R619 VanDerWaalsContact O-N 3.12Å; R619-S621 PolarHBondContact O-N 3.04Å
620	E	27.3	Very low	49.4	Very low	178 Å²	178	102.8 Å²	102.8	83%	0.832	58%	0.575	S	S	*	*			trans	-54.8	114.2	161.6	-77.5	-171.1	161.3	0	0	105	T618 R622	T618-E620 PolarHBondContact O-N 2.94Å; E620-R622 PolarHBondContact O-N 3.31Å
621	S	29	Very low	46.1	Very low	94 Å²	94	107.6 Å²	107.6	66%	0.657	61%	0.605	S	S	*	*			trans	-53.6	134.6	-178.4	52.3	0	0	0	0	108.2	R619 A623	R619-S621 PolarHBondContact O-N 3.04Å; S621-A623 PolarHBondContact O-N 2.92Å
622	R	28.2	Very low	43	Very low	262 Å²	262	112.8 Å²	112.8	99%	0.989	64%	0.641	S	S	*	*			trans	-68	65.4	165.4	-77.7	-178.2	169	177.8	-3.1	109.7	E620	E620-R622 PolarHBondContact O-N 3.31Å
623	A	26.7	Very low	40.3	Very low	65 Å²	65	122 Å²	122	54%	0.537	69%	0.686	S	S	.	*			trans	-106.3	97.3	176.3	0	0	0	0	0	107.9	S621	S621-A623 PolarHBondContact O-N 2.92Å
624	S	27.5	Very low	37.7	Very low	99 Å²	99	127.6 Å²	127.6	69%	0.692	72%	0.718	S	S	*	*			trans	44.2	90	160.2	56.4	0	0	0	0	117.2	V626	S624-V626 PolarHBondContact O-N 3.37Å
625	S	26.8	Very low	34.9	Very low	132 Å²	132	132.2 Å²	132.2	92%	0.923	74%	0.742	S	S	*	*			trans	-65.6	84.3	151.7	55.8	0	0	0	0	110
626	V	28.2	Very low	32.4	Very low	121 Å²	121	138.2 Å²	138.2	73%	0.733	78%	0.775	S	S	*	*			trans	-120.5	115.4	166.3	-179.4	0	0	0	0	107.7	S624 S628	S624-V626 PolarHBondContact O-N 3.37Å; V626-S628 PolarHBondContact O-N 3.31Å
627	S	28.8	Very low	30.7	Very low	118 Å²	118	135.9 Å²	135.9	83%	0.825	78%	0.781	S	S	*	*			trans	-68.2	108	-178.3	53.3	0	0	0	0	111.7	A629	S627-A629 PolarHBondContact O-N 2.74Å
628	S	27.9	Very low	29.3	Very low	114 Å²	114	136.5 Å²	136.5	80%	0.797	80%	0.796	S	S	*	*			trans	-87.4	97.5	162.4	56.9	0	0	0	0	109.7	V626	V626-S628 PolarHBondContact O-N 3.31Å
629	A	26.3	Very low	28.8	Very low	82 Å²	82	138.1 Å²	138.1	68%	0.678	80%	0.803	S	S	*	*	P	Polyproline II helix	trans	-65.7	143.1	168.3	0	0	0	0	0	110.1	S627 V631	S627-A629 PolarHBondContact O-N 2.74Å; A629-V631 PolarHBondContact O-N 2.81Å
630	P	26.7	Very low	28.3	Very low	127 Å²	127	134 Å²	134	83%	0.825	81%	0.808	S	S	*	*	P	Polyproline II helix	trans	-71	123.5	178.2	28.9	-33.3	0	0	0	110.4
631	V	27.8	Very low	28.4	Very low	135 Å²	135	130.6 Å²	130.6	82%	0.818	81%	0.806	S	S	*	*	P	Polyproline II helix	trans	-92.6	117.2	166	177.2	0	0	0	0	107.8	A629	A629-V631 PolarHBondContact O-N 2.81Å
632	S	29.3	Very low	28.4	Very low	112 Å²	112	133.7 Å²	133.7	78%	0.783	82%	0.818	S	S	*	*	P	Polyproline II helix	trans	-73.2	136.9	173.8	-48.2	0	0	0	0	111.4
633	I	36.4	Very low	28.4	Very low	237 Å²	237	122 Å²	122	100%	1.215	80%	0.802	S	S	*	*			trans	-132.1	0	149.9	-61.3	-176.6	0	0	0	106.4

Retrieved 633 of 633 residues in 1013 ms (Link to these results)

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